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 1il2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRTEYCGQLR LSHVGQQVTL CGWVNRRRDL GSLIFIDMRD REGIVQVFFD DATA SEQUENCE PDRADALKLA SELRNEFCIQ VTGTVRARDE KNINRDMATG EIEVLASSLT DATA SEQUENCE IINRADVLPL DSNHVNTEEA RLKYRYLDLR RPEMAQRLKT RAKITSLVRR DATA SEQUENCE FMDDHGFLDI ETPMLTKATP EGARDYLVPS RVHKGKFYAL PQSPQLFKQL DATA SEQUENCE LMMSGFDRYY QIVKCFRDED LRADRQPEFT QIDVETSFMT APQVREVMEA DATA SEQUENCE LVRHLWLEVK GVDLGDFPVM TFAEAERRYG SDKPDLRNPM ELTDVADLLK DATA SEQUENCE SVEFAVFAGP ANDPKGRVAA LRVPGGASLT RKQIDEYGNF VKIYGAKGLA DATA SEQUENCE YIKVNERAKG LEGINSPVAK FLNAEIIEDI LDRTAAQDGD MIFFGADNKK DATA SEQUENCE IVADAMGALR LKVGKDLGLT DESKWAPLWV IDFPMFEDDG EGGLTAMHHP DATA SEQUENCE FTSPKDMTAA ELKAAPENAV ANAYDMVING YEVGGGSVRI HNGDMQQTVF DATA SEQUENCE GILGINEEEQ REKFGFLLDA LKYGTPPHAG LAFGLDRLTM LLTGTDNIRD DATA SEQUENCE VIAFPKTTAA ACLMTEAPSF ANPTALAELS IQVVK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.256 176.300 -0.073 0.000 1.140 1 M CA 0.000 55.268 55.300 -0.053 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.050 0.000 1.302 2 R N 1.664 122.101 120.500 -0.105 0.000 2.532 2 R HA 0.572 5.053 4.340 0.235 0.000 0.272 2 R C 0.699 176.925 176.300 -0.122 0.000 1.032 2 R CA 1.007 57.023 56.100 -0.140 0.000 1.089 2 R CB 1.205 31.366 30.300 -0.232 0.000 1.098 2 R HN 0.125 nan 8.270 nan 0.000 0.526 3 T N -1.847 112.645 114.554 -0.104 0.000 3.003 3 T HA 0.276 4.766 4.350 0.235 0.000 0.261 3 T C -0.107 174.565 174.700 -0.047 0.000 1.003 3 T CA -0.233 61.831 62.100 -0.060 0.000 0.917 3 T CB 0.314 69.166 68.868 -0.027 0.000 1.084 3 T HN 0.644 nan 8.240 nan 0.000 0.522 4 E N -0.487 119.655 120.200 -0.097 0.000 2.407 4 E HA 0.524 5.014 4.350 0.235 0.000 0.279 4 E C -2.153 174.370 176.600 -0.129 0.000 1.012 4 E CA -0.767 55.607 56.400 -0.043 0.000 0.800 4 E CB 1.483 31.184 29.700 0.002 0.000 1.276 4 E HN 0.277 nan 8.360 nan 0.000 0.452 5 Y N 1.176 121.476 120.300 0.001 0.000 2.320 5 Y HA 0.167 4.859 4.550 0.236 0.000 0.334 5 Y C 1.243 177.135 175.900 -0.013 0.000 1.055 5 Y CA -0.536 57.570 58.100 0.009 0.000 1.143 5 Y CB 0.796 39.270 38.460 0.023 0.000 1.193 5 Y HN 0.681 nan 8.280 nan 0.000 0.477 6 C N 1.781 121.161 119.300 0.134 0.000 2.336 6 C HA -0.313 4.288 4.460 0.235 0.000 0.272 6 C C 2.756 177.782 174.990 0.060 0.000 1.160 6 C CA 2.057 61.122 59.018 0.079 0.000 1.783 6 C CB -1.345 26.456 27.740 0.102 0.000 2.050 6 C HN 1.218 nan 8.230 nan 0.000 0.443 7 G N -1.223 107.631 108.800 0.091 0.000 2.586 7 G HA2 -0.157 3.944 3.960 0.235 0.000 0.215 7 G HA3 -0.157 3.944 3.960 0.235 0.000 0.215 7 G C 1.493 176.404 174.900 0.018 0.000 1.128 7 G CA 0.404 45.533 45.100 0.048 0.000 0.774 7 G HN 0.787 nan 8.290 nan 0.000 0.543 8 Q N -0.661 119.149 119.800 0.017 0.000 2.392 8 Q HA 0.273 4.754 4.340 0.235 0.000 0.203 8 Q C 0.452 176.344 176.000 -0.179 0.000 0.917 8 Q CA -0.343 55.451 55.803 -0.016 0.000 0.939 8 Q CB 0.340 29.112 28.738 0.057 0.000 1.063 8 Q HN 0.378 nan 8.270 nan 0.000 0.516 9 L N 2.253 123.311 121.223 -0.274 0.000 2.455 9 L HA 0.096 4.577 4.340 0.235 0.000 0.272 9 L C 0.322 177.052 176.870 -0.234 0.000 1.174 9 L CA 0.268 54.787 54.840 -0.535 0.000 0.869 9 L CB 0.089 41.978 42.059 -0.283 0.000 1.130 9 L HN 0.043 nan 8.230 nan 0.000 0.474 10 R N 1.816 122.271 120.500 -0.075 0.000 2.885 10 R HA 0.262 4.742 4.340 0.235 0.000 0.260 10 R C 0.459 176.886 176.300 0.211 0.000 1.107 10 R CA -1.036 55.149 56.100 0.142 0.000 0.978 10 R CB 0.292 30.700 30.300 0.180 0.000 1.227 10 R HN 0.355 nan 8.270 nan 0.000 0.473 11 L N 1.674 122.971 121.223 0.123 0.000 2.263 11 L HA -0.184 4.297 4.340 0.235 0.000 0.216 11 L C 1.819 178.742 176.870 0.089 0.000 1.111 11 L CA 2.328 57.220 54.840 0.087 0.000 0.773 11 L CB -0.610 41.480 42.059 0.050 0.000 0.906 11 L HN 0.813 nan 8.230 nan 0.000 0.439 12 S N -2.399 113.363 115.700 0.104 0.000 2.447 12 S HA -0.162 4.449 4.470 0.235 0.000 0.233 12 S C 1.715 176.260 174.600 -0.092 0.000 1.006 12 S CA 0.861 59.050 58.200 -0.018 0.000 0.957 12 S CB -0.866 62.274 63.200 -0.100 0.000 0.773 12 S HN 0.657 nan 8.310 nan 0.000 0.507 13 H N 0.654 119.730 119.070 0.010 0.000 2.539 13 H HA 0.304 5.000 4.556 0.235 0.000 0.267 13 H C 0.090 175.420 175.328 0.003 0.000 0.982 13 H CA -0.061 55.992 56.048 0.009 0.000 1.146 13 H CB -0.061 29.710 29.762 0.014 0.000 1.382 13 H HN 0.255 nan 8.280 nan 0.000 0.577 14 V N 1.426 121.398 119.914 0.097 0.000 2.584 14 V HA -0.040 4.221 4.120 0.235 0.000 0.303 14 V C 1.482 177.593 176.094 0.030 0.000 1.035 14 V CA 1.696 64.027 62.300 0.051 0.000 1.172 14 V CB 0.443 32.283 31.823 0.028 0.000 0.896 14 V HN 0.856 nan 8.190 nan 0.000 0.486 15 G N 3.941 112.755 108.800 0.023 0.000 2.308 15 G HA2 -0.213 3.888 3.960 0.235 0.000 0.221 15 G HA3 -0.213 3.888 3.960 0.235 0.000 0.221 15 G C 0.184 175.094 174.900 0.015 0.000 1.032 15 G CA -0.065 45.041 45.100 0.011 0.000 0.623 15 G HN 0.636 nan 8.290 nan 0.000 0.506 16 Q N 1.323 121.144 119.800 0.035 0.000 2.274 16 Q HA 0.454 4.935 4.340 0.235 0.000 0.280 16 Q C 0.414 176.430 176.000 0.027 0.000 1.047 16 Q CA 0.442 56.269 55.803 0.040 0.000 0.907 16 Q CB 0.839 29.630 28.738 0.087 0.000 1.171 16 Q HN 0.707 nan 8.270 nan 0.000 0.381 17 Q N 2.034 121.842 119.800 0.013 0.000 2.256 17 Q HA 0.532 5.013 4.340 0.235 0.000 0.254 17 Q C -0.907 175.094 176.000 0.001 0.000 0.916 17 Q CA -0.609 55.194 55.803 -0.000 0.000 0.932 17 Q CB 0.845 29.578 28.738 -0.007 0.000 1.207 17 Q HN 0.527 nan 8.270 nan 0.000 0.426 18 V N 0.639 120.548 119.914 -0.008 0.000 3.040 18 V HA 0.712 4.973 4.120 0.235 0.000 0.312 18 V C -0.738 175.338 176.094 -0.031 0.000 1.115 18 V CA -0.690 61.602 62.300 -0.013 0.000 0.998 18 V CB 2.309 34.128 31.823 -0.008 0.000 1.042 18 V HN 0.742 nan 8.190 nan 0.000 0.433 19 T N 4.666 119.195 114.554 -0.041 0.000 2.912 19 T HA 0.613 5.104 4.350 0.235 0.000 0.326 19 T C -0.354 174.302 174.700 -0.073 0.000 1.080 19 T CA -0.172 61.897 62.100 -0.053 0.000 1.000 19 T CB 0.357 69.193 68.868 -0.052 0.000 1.008 19 T HN 0.639 nan 8.240 nan 0.000 0.473 20 L N 2.232 123.415 121.223 -0.067 0.000 2.334 20 L HA 0.638 5.119 4.340 0.235 0.000 0.277 20 L C -0.130 176.684 176.870 -0.095 0.000 1.075 20 L CA -0.818 53.976 54.840 -0.077 0.000 0.804 20 L CB 0.957 42.992 42.059 -0.040 0.000 1.174 20 L HN 0.575 nan 8.230 nan 0.000 0.438 21 C N 2.034 121.259 119.300 -0.126 0.000 2.498 21 C HA 0.953 5.554 4.460 0.235 0.000 0.316 21 C C 0.687 175.564 174.990 -0.188 0.000 1.209 21 C CA -0.170 58.745 59.018 -0.172 0.000 1.518 21 C CB 0.731 28.360 27.740 -0.184 0.000 2.147 21 C HN 1.088 nan 8.230 nan 0.000 0.483 22 G N 1.481 110.073 108.800 -0.347 0.000 2.552 22 G HA2 0.389 4.490 3.960 0.235 0.000 0.137 22 G HA3 0.389 4.490 3.960 0.235 0.000 0.137 22 G C -1.956 172.534 174.900 -0.683 0.000 1.135 22 G CA -0.274 44.579 45.100 -0.411 0.000 1.047 22 G HN 0.593 nan 8.290 nan 0.000 0.501 23 W N -0.450 120.899 121.300 0.082 0.000 3.029 23 W HA 0.577 5.379 4.660 0.236 0.000 0.339 23 W C -0.675 175.896 176.519 0.088 0.000 1.198 23 W CA -0.647 56.756 57.345 0.096 0.000 1.148 23 W CB 1.860 31.374 29.460 0.091 0.000 1.451 23 W HN 0.335 nan 8.180 nan 0.000 0.564 24 V N 2.050 122.142 119.914 0.296 0.000 2.427 24 V HA -0.055 4.206 4.120 0.235 0.000 0.268 24 V C 0.609 176.793 176.094 0.149 0.000 1.046 24 V CA 0.325 62.727 62.300 0.171 0.000 0.970 24 V CB 0.809 32.683 31.823 0.085 0.000 1.001 24 V HN 0.563 nan 8.190 nan 0.000 0.476 25 N N 3.409 122.180 118.700 0.118 0.000 2.405 25 N HA 0.111 4.992 4.740 0.235 0.000 0.175 25 N C 0.477 176.006 175.510 0.031 0.000 1.051 25 N CA 0.267 53.363 53.050 0.077 0.000 0.899 25 N CB 0.329 38.863 38.487 0.078 0.000 1.000 25 N HN 0.672 nan 8.380 nan 0.000 0.451 26 R N -0.437 120.081 120.500 0.029 0.000 2.644 26 R HA 0.295 4.776 4.340 0.235 0.000 0.257 26 R C -1.965 174.337 176.300 0.003 0.000 1.082 26 R CA -0.625 55.476 56.100 0.001 0.000 0.927 26 R CB 0.839 31.143 30.300 0.007 0.000 1.258 26 R HN 0.027 nan 8.270 nan 0.000 0.459 27 R N 3.402 123.883 120.500 -0.032 0.000 2.437 27 R HA 0.541 5.022 4.340 0.235 0.000 0.310 27 R C -0.925 175.364 176.300 -0.018 0.000 0.955 27 R CA -0.669 55.406 56.100 -0.042 0.000 0.851 27 R CB 1.171 31.404 30.300 -0.112 0.000 1.161 27 R HN 0.603 nan 8.270 nan 0.000 0.446 28 R N 3.054 123.571 120.500 0.029 0.000 2.415 28 R HA 0.122 4.603 4.340 0.235 0.000 0.292 28 R C -1.202 175.133 176.300 0.057 0.000 1.295 28 R CA -0.644 55.489 56.100 0.055 0.000 1.137 28 R CB 1.101 31.464 30.300 0.105 0.000 1.135 28 R HN 0.497 nan 8.270 nan 0.000 0.560 29 D N 3.839 124.234 120.400 -0.008 0.000 2.422 29 D HA 0.048 4.829 4.640 0.235 0.000 0.227 29 D C -0.026 176.271 176.300 -0.004 0.000 1.190 29 D CA -0.352 53.625 54.000 -0.037 0.000 0.905 29 D CB 0.927 41.684 40.800 -0.073 0.000 1.034 29 D HN 0.256 nan 8.370 nan 0.000 0.507 30 L N 3.765 125.003 121.223 0.025 0.000 2.862 30 L HA 0.259 4.740 4.340 0.235 0.000 0.240 30 L C 1.846 178.720 176.870 0.007 0.000 1.283 30 L CA 0.276 55.142 54.840 0.044 0.000 1.117 30 L CB -0.132 41.998 42.059 0.119 0.000 1.444 30 L HN 0.715 nan 8.230 nan 0.000 0.456 31 G N -0.586 108.201 108.800 -0.022 0.000 4.610 31 G HA2 -0.423 3.678 3.960 0.235 0.000 0.323 31 G HA3 -0.423 3.678 3.960 0.235 0.000 0.323 31 G C 1.398 176.270 174.900 -0.046 0.000 1.377 31 G CA 0.636 45.718 45.100 -0.030 0.000 1.023 31 G HN 0.321 nan 8.290 nan 0.000 0.755 32 S N 0.275 115.957 115.700 -0.030 0.000 2.489 32 S HA 0.355 4.965 4.470 0.235 0.000 0.228 32 S C 0.338 174.887 174.600 -0.085 0.000 0.995 32 S CA 0.954 59.133 58.200 -0.036 0.000 0.934 32 S CB 0.089 63.289 63.200 -0.001 0.000 0.771 32 S HN 0.389 nan 8.310 nan 0.000 0.522 33 L N 1.396 122.553 121.223 -0.111 0.000 2.356 33 L HA 0.547 5.028 4.340 0.235 0.000 0.277 33 L C -0.740 175.945 176.870 -0.309 0.000 0.996 33 L CA -0.179 54.491 54.840 -0.283 0.000 0.822 33 L CB 1.546 43.500 42.059 -0.174 0.000 1.256 33 L HN 0.060 nan 8.230 nan 0.000 0.413 34 I N 3.410 123.692 120.570 -0.480 0.000 2.406 34 I HA 0.373 4.683 4.170 0.235 0.000 0.290 34 I C -1.041 174.841 176.117 -0.392 0.000 0.999 34 I CA -0.430 60.672 61.300 -0.329 0.000 1.124 34 I CB 1.485 39.262 38.000 -0.373 0.000 1.289 34 I HN 0.339 nan 8.210 nan 0.000 0.441 35 F N 6.686 126.593 119.950 -0.071 0.000 2.388 35 F HA 0.473 5.141 4.527 0.235 0.000 0.358 35 F C -0.024 175.803 175.800 0.044 0.000 1.122 35 F CA -0.588 57.429 58.000 0.029 0.000 1.056 35 F CB 1.226 40.256 39.000 0.049 0.000 1.155 35 F HN 0.127 nan 8.300 nan 0.000 0.461 36 I N 3.454 124.186 120.570 0.270 0.000 2.362 36 I HA 0.207 4.518 4.170 0.235 0.000 0.289 36 I C -0.590 175.644 176.117 0.195 0.000 0.994 36 I CA -0.807 60.609 61.300 0.193 0.000 1.158 36 I CB 1.460 39.588 38.000 0.213 0.000 1.315 36 I HN 0.414 nan 8.210 nan 0.000 0.451 37 D N 7.217 127.702 120.400 0.141 0.000 2.393 37 D HA 0.261 5.041 4.640 0.235 0.000 0.232 37 D C 0.142 176.514 176.300 0.120 0.000 1.192 37 D CA 0.041 54.114 54.000 0.122 0.000 0.882 37 D CB 1.023 41.875 40.800 0.086 0.000 1.038 37 D HN 0.397 nan 8.370 nan 0.000 0.499 38 M N 2.696 122.372 119.600 0.127 0.000 2.216 38 M HA 0.277 4.898 4.480 0.235 0.000 0.356 38 M C -0.274 176.108 176.300 0.138 0.000 1.205 38 M CA -0.348 55.030 55.300 0.130 0.000 1.122 38 M CB 1.158 33.825 32.600 0.110 0.000 1.571 38 M HN 0.142 nan 8.290 nan 0.000 0.464 39 R N 3.313 123.926 120.500 0.188 0.000 2.686 39 R HA 0.519 5.000 4.340 0.235 0.000 0.283 39 R C -2.129 174.367 176.300 0.327 0.000 0.978 39 R CA -0.513 55.715 56.100 0.213 0.000 0.897 39 R CB 1.658 32.068 30.300 0.184 0.000 1.192 39 R HN 0.895 nan 8.270 nan 0.000 0.457 40 D N 1.262 121.835 120.400 0.288 0.000 2.583 40 D HA 0.144 4.925 4.640 0.235 0.000 0.248 40 D C 0.554 177.009 176.300 0.258 0.000 1.209 40 D CA -0.918 53.310 54.000 0.381 0.000 0.848 40 D CB 0.978 42.006 40.800 0.380 0.000 1.431 40 D HN 0.611 nan 8.370 nan 0.000 0.436 41 R N -0.024 120.621 120.500 0.241 0.000 2.257 41 R HA -0.260 4.220 4.340 0.235 0.000 0.265 41 R C 0.678 176.988 176.300 0.017 0.000 1.191 41 R CA 1.678 57.833 56.100 0.092 0.000 1.010 41 R CB -0.644 29.692 30.300 0.060 0.000 0.883 41 R HN 0.418 nan 8.270 nan 0.000 0.473 42 E N 0.437 120.661 120.200 0.039 0.000 2.400 42 E HA 0.178 4.669 4.350 0.235 0.000 0.195 42 E C 0.891 177.510 176.600 0.031 0.000 1.012 42 E CA 0.897 57.288 56.400 -0.015 0.000 0.875 42 E CB 1.059 30.740 29.700 -0.032 0.000 0.859 42 E HN 0.595 nan 8.360 nan 0.000 0.498 43 G N 0.446 109.288 108.800 0.070 0.000 2.320 43 G HA2 0.087 4.188 3.960 0.235 0.000 0.274 43 G HA3 0.087 4.188 3.960 0.235 0.000 0.274 43 G C -1.375 173.574 174.900 0.082 0.000 1.324 43 G CA -0.875 44.260 45.100 0.058 0.000 0.957 43 G HN 0.009 nan 8.290 nan 0.000 0.481 44 I N 0.044 120.652 120.570 0.063 0.000 2.474 44 I HA 0.685 4.996 4.170 0.235 0.000 0.294 44 I C -0.233 175.921 176.117 0.062 0.000 1.005 44 I CA -1.217 60.127 61.300 0.073 0.000 1.113 44 I CB 1.886 39.923 38.000 0.063 0.000 1.289 44 I HN 0.503 nan 8.210 nan 0.000 0.436 45 V N 5.670 125.628 119.914 0.073 0.000 2.914 45 V HA 0.391 4.652 4.120 0.235 0.000 0.314 45 V C -0.883 175.268 176.094 0.095 0.000 1.084 45 V CA -0.366 61.973 62.300 0.065 0.000 0.963 45 V CB 2.249 34.099 31.823 0.045 0.000 1.025 45 V HN 0.852 nan 8.190 nan 0.000 0.432 46 Q N 3.564 123.431 119.800 0.113 0.000 2.368 46 Q HA 0.555 5.036 4.340 0.235 0.000 0.256 46 Q C -0.929 175.184 176.000 0.187 0.000 0.980 46 Q CA -0.492 55.417 55.803 0.177 0.000 0.887 46 Q CB 1.695 30.563 28.738 0.217 0.000 1.221 46 Q HN 0.885 nan 8.270 nan 0.000 0.458 47 V N 3.024 123.047 119.914 0.182 0.000 2.481 47 V HA 0.558 4.819 4.120 0.235 0.000 0.286 47 V C -0.993 175.189 176.094 0.146 0.000 1.042 47 V CA -0.620 61.743 62.300 0.106 0.000 0.928 47 V CB 0.995 32.836 31.823 0.030 0.000 0.986 47 V HN 0.699 nan 8.190 nan 0.000 0.462 48 F N 6.333 126.207 119.950 -0.126 0.000 2.421 48 F HA 0.821 5.489 4.527 0.235 0.000 0.337 48 F C -0.970 174.643 175.800 -0.312 0.000 1.105 48 F CA -1.168 56.716 58.000 -0.193 0.000 1.049 48 F CB 1.380 40.272 39.000 -0.181 0.000 1.139 48 F HN 0.544 nan 8.300 nan 0.000 0.479 49 F N 4.012 123.414 119.950 -0.914 0.000 2.532 49 F HA 0.437 5.105 4.527 0.234 0.000 0.321 49 F C -0.706 174.601 175.800 -0.820 0.000 1.089 49 F CA -0.673 56.985 58.000 -0.569 0.000 0.926 49 F CB 1.776 40.546 39.000 -0.383 0.000 1.168 49 F HN 0.514 nan 8.300 nan 0.000 0.459 50 D N 1.688 122.017 120.400 -0.118 0.000 2.596 50 D HA 0.333 5.114 4.640 0.235 0.000 0.262 50 D C -2.500 173.819 176.300 0.032 0.000 1.210 50 D CA -2.021 51.957 54.000 -0.036 0.000 0.873 50 D CB 1.443 42.405 40.800 0.271 0.000 1.408 50 D HN 0.159 nan 8.370 nan 0.000 0.441 51 P HA -0.218 nan 4.420 nan 0.000 0.218 51 P C 0.315 177.635 177.300 0.034 0.000 1.147 51 P CA 1.333 64.449 63.100 0.027 0.000 0.827 51 P CB 0.234 31.950 31.700 0.026 0.000 0.778 52 D N -0.350 120.078 120.400 0.046 0.000 2.092 52 D HA -0.118 4.663 4.640 0.235 0.000 0.193 52 D C 1.075 177.394 176.300 0.031 0.000 0.994 52 D CA 1.103 55.124 54.000 0.036 0.000 0.828 52 D CB -0.261 40.562 40.800 0.037 0.000 0.963 52 D HN 0.028 nan 8.370 nan 0.000 0.450 53 R N 1.152 121.676 120.500 0.040 0.000 3.701 53 R HA 0.377 4.858 4.340 0.235 0.000 0.210 53 R C 0.705 177.038 176.300 0.054 0.000 1.598 53 R CA -0.154 55.971 56.100 0.042 0.000 1.427 53 R CB 0.027 30.351 30.300 0.041 0.000 1.339 53 R HN 0.094 nan 8.270 nan 0.000 0.720 54 A N 2.493 125.334 122.820 0.035 0.000 1.848 54 A HA -0.257 4.204 4.320 0.235 0.000 0.217 54 A C 1.480 179.081 177.584 0.028 0.000 1.220 54 A CA 1.793 53.845 52.037 0.025 0.000 0.645 54 A CB -0.261 18.749 19.000 0.015 0.000 0.842 54 A HN 0.485 nan 8.150 nan 0.000 0.451 55 D N 0.036 120.452 120.400 0.026 0.000 2.149 55 D HA -0.192 4.589 4.640 0.235 0.000 0.194 55 D C 2.169 178.493 176.300 0.041 0.000 1.001 55 D CA 1.795 55.809 54.000 0.024 0.000 0.849 55 D CB -0.629 40.184 40.800 0.022 0.000 0.939 55 D HN 0.500 nan 8.370 nan 0.000 0.449 56 A N 1.394 124.264 122.820 0.084 0.000 1.877 56 A HA -0.149 4.312 4.320 0.235 0.000 0.216 56 A C 2.172 179.839 177.584 0.140 0.000 1.186 56 A CA 0.883 53.026 52.037 0.176 0.000 0.620 56 A CB -0.704 18.449 19.000 0.254 0.000 0.822 56 A HN 0.202 nan 8.150 nan 0.000 0.443 57 L N -0.221 121.072 121.223 0.117 0.000 2.042 57 L HA -0.166 4.315 4.340 0.235 0.000 0.210 57 L C 2.295 179.091 176.870 -0.124 0.000 1.076 57 L CA 2.452 57.275 54.840 -0.028 0.000 0.749 57 L CB -0.888 41.169 42.059 -0.003 0.000 0.893 57 L HN 0.395 nan 8.230 nan 0.000 0.432 58 K N -0.063 120.302 120.400 -0.058 0.000 1.985 58 K HA -0.181 4.280 4.320 0.235 0.000 0.210 58 K C 2.171 178.726 176.600 -0.076 0.000 1.047 58 K CA 1.309 57.559 56.287 -0.060 0.000 0.932 58 K CB -0.824 31.660 32.500 -0.028 0.000 0.716 58 K HN 0.301 nan 8.250 nan 0.000 0.439 59 L N 1.372 122.563 121.223 -0.053 0.000 2.013 59 L HA -0.166 4.314 4.340 0.235 0.000 0.212 59 L C 2.305 179.112 176.870 -0.106 0.000 1.073 59 L CA 2.309 57.122 54.840 -0.045 0.000 0.753 59 L CB -1.332 40.724 42.059 -0.005 0.000 0.890 59 L HN 0.260 nan 8.230 nan 0.000 0.432 60 A N -0.739 121.935 122.820 -0.244 0.000 2.032 60 A HA -0.207 4.254 4.320 0.235 0.000 0.221 60 A C 2.350 179.741 177.584 -0.322 0.000 1.165 60 A CA 1.861 53.614 52.037 -0.473 0.000 0.645 60 A CB -0.662 17.592 19.000 -1.245 0.000 0.807 60 A HN 0.616 nan 8.150 nan 0.000 0.453 61 S N -0.068 115.494 115.700 -0.230 0.000 2.383 61 S HA -0.187 4.424 4.470 0.235 0.000 0.229 61 S C 1.743 176.280 174.600 -0.106 0.000 1.030 61 S CA 1.740 59.845 58.200 -0.158 0.000 1.002 61 S CB -0.291 62.845 63.200 -0.107 0.000 0.829 61 S HN 0.705 nan 8.310 nan 0.000 0.467 62 E N 1.099 121.265 120.200 -0.056 0.000 2.150 62 E HA 0.076 4.567 4.350 0.235 0.000 0.193 62 E C 0.298 176.938 176.600 0.067 0.000 0.985 62 E CA 0.108 56.530 56.400 0.037 0.000 0.814 62 E CB -0.414 29.343 29.700 0.095 0.000 0.752 62 E HN 0.480 nan 8.360 nan 0.000 0.466 63 L N 1.818 123.032 121.223 -0.014 0.000 2.593 63 L HA -0.053 4.428 4.340 0.235 0.000 0.287 63 L C 0.706 177.220 176.870 -0.592 0.000 1.243 63 L CA 0.723 55.470 54.840 -0.154 0.000 0.890 63 L CB 0.093 42.083 42.059 -0.116 0.000 1.134 63 L HN 0.069 nan 8.230 nan 0.000 0.502 64 R N 1.685 121.294 120.500 -1.486 0.000 2.888 64 R HA 0.368 4.849 4.340 0.235 0.000 0.264 64 R C -0.671 175.180 176.300 -0.749 0.000 1.045 64 R CA -1.304 54.119 56.100 -1.127 0.000 0.962 64 R CB 1.130 30.690 30.300 -1.233 0.000 1.210 64 R HN 0.512 nan 8.270 nan 0.000 0.479 65 N N 2.674 121.166 118.700 -0.347 0.000 2.412 65 N HA -0.068 4.813 4.740 0.235 0.000 0.254 65 N C -0.180 175.342 175.510 0.020 0.000 1.232 65 N CA 0.963 53.941 53.050 -0.120 0.000 0.880 65 N CB 0.360 38.802 38.487 -0.076 0.000 1.076 65 N HN 0.533 nan 8.380 nan 0.000 0.458 66 E N -0.185 120.106 120.200 0.151 0.000 3.070 66 E HA -0.251 4.240 4.350 0.235 0.000 0.285 66 E C -0.611 176.317 176.600 0.546 0.000 0.972 66 E CA 0.703 57.292 56.400 0.316 0.000 0.915 66 E CB -1.802 28.014 29.700 0.192 0.000 1.466 66 E HN 0.535 nan 8.360 nan 0.000 0.432 67 F N -0.253 119.815 119.950 0.196 0.000 2.399 67 F HA 0.142 4.810 4.527 0.234 0.000 0.342 67 F C 1.455 177.308 175.800 0.088 0.000 1.106 67 F CA -0.700 57.377 58.000 0.127 0.000 1.196 67 F CB 0.815 39.845 39.000 0.049 0.000 1.163 67 F HN 0.049 nan 8.300 nan 0.000 0.547 68 C N 8.067 127.421 119.300 0.090 0.000 2.281 68 C HA 0.602 5.203 4.460 0.235 0.000 0.336 68 C C 0.071 174.936 174.990 -0.208 0.000 1.217 68 C CA -0.574 58.275 59.018 -0.282 0.000 1.730 68 C CB -2.085 25.493 27.740 -0.270 0.000 2.338 68 C HN 0.676 nan 8.230 nan 0.000 0.521 69 I N 3.559 123.996 120.570 -0.222 0.000 3.145 69 I HA 0.670 4.980 4.170 0.235 0.000 0.313 69 I C -1.167 174.865 176.117 -0.141 0.000 1.122 69 I CA -0.748 60.485 61.300 -0.112 0.000 0.987 69 I CB 2.004 40.010 38.000 0.009 0.000 1.236 69 I HN 0.630 nan 8.210 nan 0.000 0.453 70 Q N 2.868 122.621 119.800 -0.078 0.000 2.323 70 Q HA 0.702 5.183 4.340 0.235 0.000 0.271 70 Q C -1.913 174.073 176.000 -0.024 0.000 1.048 70 Q CA -0.747 55.011 55.803 -0.074 0.000 0.792 70 Q CB 2.915 31.603 28.738 -0.084 0.000 1.280 70 Q HN 0.831 nan 8.270 nan 0.000 0.441 71 V N 0.697 120.597 119.914 -0.023 0.000 2.888 71 V HA 0.834 5.094 4.120 0.235 0.000 0.309 71 V C -1.424 174.647 176.094 -0.038 0.000 1.114 71 V CA -0.168 62.126 62.300 -0.010 0.000 0.940 71 V CB 2.084 33.917 31.823 0.016 0.000 1.021 71 V HN 0.815 nan 8.190 nan 0.000 0.426 72 T N 3.272 117.799 114.554 -0.045 0.000 2.812 72 T HA 0.919 5.410 4.350 0.235 0.000 0.282 72 T C 0.012 174.673 174.700 -0.066 0.000 0.990 72 T CA 0.530 62.601 62.100 -0.049 0.000 0.960 72 T CB 0.726 69.572 68.868 -0.038 0.000 0.948 72 T HN 1.908 nan 8.240 nan 0.000 0.438 73 G N 2.386 111.148 108.800 -0.063 0.000 2.664 73 G HA2 0.625 4.726 3.960 0.235 0.000 0.303 73 G HA3 0.625 4.726 3.960 0.235 0.000 0.303 73 G C -1.222 173.650 174.900 -0.046 0.000 1.243 73 G CA -0.600 44.456 45.100 -0.073 0.000 0.826 73 G HN 0.788 nan 8.290 nan 0.000 0.498 74 T N 0.129 114.657 114.554 -0.044 0.000 2.876 74 T HA 0.528 5.018 4.350 0.235 0.000 0.289 74 T C -0.534 174.157 174.700 -0.016 0.000 1.014 74 T CA -0.313 61.773 62.100 -0.023 0.000 0.986 74 T CB 1.988 70.842 68.868 -0.023 0.000 1.021 74 T HN 0.461 nan 8.240 nan 0.000 0.458 75 V N 4.704 124.621 119.914 0.005 0.000 2.405 75 V HA 0.366 4.627 4.120 0.235 0.000 0.264 75 V C 0.632 176.733 176.094 0.012 0.000 1.048 75 V CA -0.276 62.034 62.300 0.016 0.000 0.966 75 V CB -0.367 31.488 31.823 0.052 0.000 1.015 75 V HN 0.780 nan 8.190 nan 0.000 0.477 76 R N 4.516 125.015 120.500 -0.002 0.000 2.854 76 R HA 0.911 5.392 4.340 0.235 0.000 0.271 76 R C -0.297 175.999 176.300 -0.006 0.000 0.996 76 R CA -0.711 55.381 56.100 -0.013 0.000 0.961 76 R CB 1.844 32.118 30.300 -0.043 0.000 1.182 76 R HN 0.536 nan 8.270 nan 0.000 0.479 77 A N 1.774 124.589 122.820 -0.008 0.000 2.272 77 A HA 0.446 4.907 4.320 0.235 0.000 0.275 77 A C -0.257 177.318 177.584 -0.014 0.000 1.096 77 A CA -0.723 51.313 52.037 -0.002 0.000 0.822 77 A CB 0.470 19.470 19.000 -0.000 0.000 1.088 77 A HN 0.738 nan 8.150 nan 0.000 0.495 78 R N 0.414 120.912 120.500 -0.003 0.000 2.598 78 R HA 0.327 4.808 4.340 0.235 0.000 0.279 78 R C -1.128 175.167 176.300 -0.009 0.000 0.984 78 R CA -0.891 55.206 56.100 -0.005 0.000 0.999 78 R CB 0.880 31.191 30.300 0.018 0.000 1.114 78 R HN 0.721 nan 8.270 nan 0.000 0.493 79 D N 1.522 121.914 120.400 -0.013 0.000 2.382 79 D HA -0.065 4.716 4.640 0.235 0.000 0.240 79 D C 1.152 177.450 176.300 -0.003 0.000 1.146 79 D CA 0.128 54.122 54.000 -0.010 0.000 0.897 79 D CB 0.943 41.737 40.800 -0.011 0.000 1.197 79 D HN 0.565 nan 8.370 nan 0.000 0.432 80 E N 1.998 122.197 120.200 -0.003 0.000 2.108 80 E HA -0.292 4.199 4.350 0.235 0.000 0.203 80 E C 1.639 178.238 176.600 -0.001 0.000 1.022 80 E CA 2.165 58.564 56.400 -0.001 0.000 0.823 80 E CB -0.074 29.625 29.700 -0.001 0.000 0.744 80 E HN 0.554 nan 8.360 nan 0.000 0.456 81 K N -0.899 119.501 120.400 -0.000 0.000 2.280 81 K HA -0.084 4.377 4.320 0.235 0.000 0.202 81 K C 1.063 177.661 176.600 -0.002 0.000 1.047 81 K CA 1.420 57.707 56.287 -0.000 0.000 0.942 81 K CB -0.026 32.476 32.500 0.003 0.000 0.739 81 K HN 0.030 nan 8.250 nan 0.000 0.457 82 N N 0.560 119.261 118.700 0.001 0.000 2.205 82 N HA 0.219 5.100 4.740 0.235 0.000 0.201 82 N C -0.030 175.478 175.510 -0.002 0.000 1.128 82 N CA -0.130 52.920 53.050 0.000 0.000 0.867 82 N CB 0.441 38.943 38.487 0.025 0.000 0.996 82 N HN 0.151 nan 8.380 nan 0.000 0.503 83 I N 1.418 121.987 120.570 -0.001 0.000 2.752 83 I HA -0.063 4.248 4.170 0.235 0.000 0.287 83 I C 0.689 176.802 176.117 -0.006 0.000 1.188 83 I CA 0.179 61.480 61.300 0.002 0.000 1.427 83 I CB 0.392 38.393 38.000 0.002 0.000 1.365 83 I HN -0.058 nan 8.210 nan 0.000 0.585 84 N N 6.361 125.060 118.700 -0.002 0.000 2.707 84 N HA 0.187 5.067 4.740 0.235 0.000 0.235 84 N C 0.527 176.036 175.510 -0.002 0.000 1.028 84 N CA -0.333 52.712 53.050 -0.008 0.000 0.906 84 N CB 0.607 39.090 38.487 -0.008 0.000 1.131 84 N HN 0.446 nan 8.380 nan 0.000 0.509 85 R N 0.989 121.486 120.500 -0.004 0.000 2.357 85 R HA -0.003 4.478 4.340 0.235 0.000 0.202 85 R C -0.326 175.973 176.300 -0.002 0.000 1.047 85 R CA 0.696 56.795 56.100 -0.001 0.000 1.034 85 R CB 0.343 30.641 30.300 -0.002 0.000 0.875 85 R HN 0.429 nan 8.270 nan 0.000 0.473 86 D N -0.582 119.816 120.400 -0.004 0.000 2.431 86 D HA 0.133 4.914 4.640 0.235 0.000 0.213 86 D C -0.052 176.247 176.300 -0.001 0.000 1.130 86 D CA 0.414 54.412 54.000 -0.004 0.000 0.834 86 D CB 0.524 41.320 40.800 -0.008 0.000 0.985 86 D HN 0.111 nan 8.370 nan 0.000 0.504 87 M N -0.243 119.359 119.600 0.003 0.000 2.464 87 M HA 0.519 5.140 4.480 0.235 0.000 0.308 87 M C 0.955 177.261 176.300 0.010 0.000 1.127 87 M CA -0.814 54.491 55.300 0.008 0.000 0.913 87 M CB 2.701 35.309 32.600 0.012 0.000 1.689 87 M HN -0.210 nan 8.290 nan 0.000 0.445 88 A N 0.858 123.684 122.820 0.011 0.000 1.908 88 A HA -0.113 4.348 4.320 0.235 0.000 0.218 88 A C 1.841 179.434 177.584 0.015 0.000 1.181 88 A CA 2.433 54.478 52.037 0.012 0.000 0.627 88 A CB -0.999 18.007 19.000 0.010 0.000 0.818 88 A HN 0.915 nan 8.150 nan 0.000 0.445 89 T N -2.991 111.572 114.554 0.014 0.000 3.219 89 T HA 0.295 4.786 4.350 0.235 0.000 0.249 89 T C 1.552 176.265 174.700 0.022 0.000 1.099 89 T CA 0.839 62.947 62.100 0.013 0.000 0.988 89 T CB -0.108 68.767 68.868 0.010 0.000 0.999 89 T HN 0.399 nan 8.240 nan 0.000 0.550 90 G N 2.293 111.105 108.800 0.020 0.000 2.503 90 G HA2 -0.233 3.868 3.960 0.235 0.000 0.221 90 G HA3 -0.233 3.868 3.960 0.235 0.000 0.221 90 G C 1.338 176.251 174.900 0.021 0.000 1.131 90 G CA 0.681 45.792 45.100 0.019 0.000 0.756 90 G HN 0.671 nan 8.290 nan 0.000 0.572 91 E N -0.909 119.304 120.200 0.022 0.000 2.511 91 E HA 0.200 4.691 4.350 0.235 0.000 0.196 91 E C -0.061 176.554 176.600 0.025 0.000 1.066 91 E CA -0.215 56.198 56.400 0.022 0.000 0.871 91 E CB 0.387 30.100 29.700 0.022 0.000 0.863 91 E HN 0.356 nan 8.360 nan 0.000 0.520 92 I N 0.521 121.109 120.570 0.031 0.000 3.239 92 I HA 0.207 4.518 4.170 0.235 0.000 0.314 92 I C -1.090 175.055 176.117 0.047 0.000 1.126 92 I CA -0.997 60.322 61.300 0.032 0.000 0.973 92 I CB 2.083 40.101 38.000 0.030 0.000 1.252 92 I HN -0.071 nan 8.210 nan 0.000 0.463 93 E N 1.433 121.661 120.200 0.046 0.000 2.401 93 E HA 0.582 5.073 4.350 0.235 0.000 0.280 93 E C -1.710 174.916 176.600 0.043 0.000 1.039 93 E CA -1.002 55.443 56.400 0.075 0.000 0.814 93 E CB 1.899 31.680 29.700 0.135 0.000 1.275 93 E HN 0.356 nan 8.360 nan 0.000 0.448 94 V N 0.402 120.341 119.914 0.041 0.000 2.384 94 V HA 0.527 4.787 4.120 0.235 0.000 0.287 94 V C -0.494 175.586 176.094 -0.025 0.000 1.020 94 V CA -1.023 61.276 62.300 -0.002 0.000 0.850 94 V CB 1.136 32.946 31.823 -0.022 0.000 0.987 94 V HN 0.703 nan 8.190 nan 0.000 0.436 95 L N 6.550 127.751 121.223 -0.037 0.000 2.515 95 L HA 0.656 5.137 4.340 0.235 0.000 0.281 95 L C 0.941 177.722 176.870 -0.149 0.000 1.131 95 L CA 0.518 55.331 54.840 -0.045 0.000 0.905 95 L CB -0.089 41.947 42.059 -0.039 0.000 1.246 95 L HN 1.058 nan 8.230 nan 0.000 0.463 96 A N 3.697 126.310 122.820 -0.344 0.000 2.531 96 A HA 0.392 4.853 4.320 0.235 0.000 0.236 96 A C 1.028 178.447 177.584 -0.275 0.000 1.062 96 A CA 0.561 52.316 52.037 -0.470 0.000 0.760 96 A CB 0.044 18.334 19.000 -1.184 0.000 0.995 96 A HN 1.024 nan 8.150 nan 0.000 0.501 97 S N -0.325 115.273 115.700 -0.170 0.000 2.649 97 S HA 0.450 5.061 4.470 0.235 0.000 0.246 97 S C 0.288 174.860 174.600 -0.047 0.000 1.057 97 S CA 0.482 58.632 58.200 -0.084 0.000 1.051 97 S CB -0.007 63.158 63.200 -0.058 0.000 1.018 97 S HN 1.579 nan 8.310 nan 0.000 0.569 98 S N 0.317 115.988 115.700 -0.050 0.000 2.542 98 S HA 0.680 5.290 4.470 0.235 0.000 0.276 98 S C -2.375 172.244 174.600 0.031 0.000 1.148 98 S CA -0.594 57.607 58.200 0.002 0.000 0.886 98 S CB 1.548 64.744 63.200 -0.008 0.000 1.109 98 S HN 0.619 nan 8.310 nan 0.000 0.458 99 L N 3.607 124.882 121.223 0.086 0.000 2.436 99 L HA 0.850 5.331 4.340 0.235 0.000 0.268 99 L C -1.091 175.818 176.870 0.066 0.000 0.974 99 L CA 0.278 55.191 54.840 0.123 0.000 0.826 99 L CB 2.090 44.316 42.059 0.280 0.000 1.291 99 L HN 0.719 nan 8.230 nan 0.000 0.406 100 T N 5.946 120.521 114.554 0.035 0.000 2.881 100 T HA 0.581 5.072 4.350 0.235 0.000 0.290 100 T C -0.242 174.451 174.700 -0.012 0.000 1.000 100 T CA -0.165 61.937 62.100 0.003 0.000 0.978 100 T CB 1.282 70.139 68.868 -0.018 0.000 0.997 100 T HN 0.460 nan 8.240 nan 0.000 0.443 101 I N 4.072 124.628 120.570 -0.024 0.000 2.282 101 I HA 0.188 4.499 4.170 0.235 0.000 0.290 101 I C 0.743 176.804 176.117 -0.093 0.000 1.090 101 I CA -0.483 60.785 61.300 -0.052 0.000 1.231 101 I CB 0.758 38.725 38.000 -0.054 0.000 1.434 101 I HN 0.618 nan 8.210 nan 0.000 0.487 102 I N 4.806 125.312 120.570 -0.107 0.000 2.226 102 I HA -0.137 4.173 4.170 0.235 0.000 0.245 102 I C 0.908 176.955 176.117 -0.117 0.000 1.100 102 I CA 1.375 62.610 61.300 -0.108 0.000 1.374 102 I CB -0.412 37.513 38.000 -0.125 0.000 1.057 102 I HN 0.585 nan 8.210 nan 0.000 0.413 103 N N -0.393 118.216 118.700 -0.152 0.000 2.446 103 N HA 0.325 5.206 4.740 0.235 0.000 0.272 103 N C -0.886 174.418 175.510 -0.343 0.000 1.127 103 N CA -0.625 52.319 53.050 -0.177 0.000 0.896 103 N CB 2.271 40.712 38.487 -0.077 0.000 1.658 103 N HN -0.046 nan 8.380 nan 0.000 0.483 104 R N 0.522 120.721 120.500 -0.503 0.000 2.532 104 R HA 0.750 5.231 4.340 0.235 0.000 0.272 104 R C -0.311 175.782 176.300 -0.346 0.000 1.032 104 R CA -0.671 54.796 56.100 -1.056 0.000 1.089 104 R CB 1.146 30.873 30.300 -0.955 0.000 1.098 104 R HN 0.511 nan 8.270 nan 0.000 0.526 105 A N 1.992 124.818 122.820 0.010 0.000 2.318 105 A HA 0.330 4.791 4.320 0.235 0.000 0.317 105 A C -0.836 176.913 177.584 0.275 0.000 1.159 105 A CA -0.876 51.313 52.037 0.254 0.000 0.799 105 A CB 0.842 20.068 19.000 0.377 0.000 1.194 105 A HN 0.616 nan 8.150 nan 0.000 0.479 106 D N 0.552 121.046 120.400 0.156 0.000 2.312 106 D HA 0.252 5.033 4.640 0.235 0.000 0.244 106 D C 0.656 177.019 176.300 0.105 0.000 1.328 106 D CA -0.022 54.051 54.000 0.122 0.000 0.965 106 D CB 0.297 41.147 40.800 0.083 0.000 1.140 106 D HN 0.266 nan 8.370 nan 0.000 0.523 107 V N 0.727 120.678 119.914 0.061 0.000 2.740 107 V HA 0.008 4.269 4.120 0.235 0.000 0.303 107 V C 0.538 176.623 176.094 -0.014 0.000 1.054 107 V CA -0.209 62.105 62.300 0.023 0.000 1.106 107 V CB 0.004 31.830 31.823 0.006 0.000 0.957 107 V HN 0.212 nan 8.190 nan 0.000 0.486 108 L N 6.441 127.642 121.223 -0.037 0.000 2.367 108 L HA 0.238 4.718 4.340 0.235 0.000 0.275 108 L C -1.334 175.434 176.870 -0.169 0.000 1.129 108 L CA -1.254 53.529 54.840 -0.096 0.000 0.839 108 L CB 0.442 42.456 42.059 -0.075 0.000 1.133 108 L HN 0.515 nan 8.230 nan 0.000 0.453 109 P HA 0.075 nan 4.420 nan 0.000 0.242 109 P C -0.436 176.684 177.300 -0.300 0.000 1.197 109 P CA 0.867 63.687 63.100 -0.467 0.000 0.765 109 P CB 0.227 31.164 31.700 -1.273 0.000 0.936 110 L N -0.250 120.848 121.223 -0.209 0.000 2.441 110 L HA 0.307 4.788 4.340 0.235 0.000 0.270 110 L C -0.326 176.504 176.870 -0.066 0.000 0.973 110 L CA -0.822 53.958 54.840 -0.100 0.000 0.842 110 L CB 2.145 44.145 42.059 -0.098 0.000 1.239 110 L HN -0.191 nan 8.230 nan 0.000 0.406 111 D N 1.636 122.030 120.400 -0.009 0.000 2.358 111 D HA 0.057 4.838 4.640 0.235 0.000 0.258 111 D C 0.770 176.980 176.300 -0.150 0.000 1.223 111 D CA 0.088 54.032 54.000 -0.093 0.000 0.886 111 D CB 1.506 42.247 40.800 -0.098 0.000 1.120 111 D HN 0.478 nan 8.370 nan 0.000 0.482 112 S N 3.203 118.814 115.700 -0.148 0.000 2.537 112 S HA -0.123 4.488 4.470 0.235 0.000 0.240 112 S C 1.151 175.656 174.600 -0.157 0.000 0.981 112 S CA 0.554 58.681 58.200 -0.121 0.000 0.948 112 S CB -0.158 62.986 63.200 -0.092 0.000 0.759 112 S HN 0.578 nan 8.310 nan 0.000 0.531 113 N N 1.056 119.572 118.700 -0.306 0.000 2.270 113 N HA 0.094 4.975 4.740 0.235 0.000 0.198 113 N C -0.167 175.199 175.510 -0.240 0.000 1.117 113 N CA -0.058 52.812 53.050 -0.301 0.000 0.845 113 N CB 0.348 38.636 38.487 -0.332 0.000 0.980 113 N HN 0.656 nan 8.380 nan 0.000 0.486 114 H N -3.854 115.200 119.070 -0.026 0.000 3.140 114 H HA 0.126 4.823 4.556 0.234 0.000 0.336 114 H C -0.917 174.397 175.328 -0.023 0.000 1.142 114 H CA -1.139 54.895 56.048 -0.023 0.000 1.308 114 H CB 0.481 30.231 29.762 -0.021 0.000 1.970 114 H HN -0.350 nan 8.280 nan 0.000 0.521 115 V N 3.487 123.480 119.914 0.132 0.000 2.832 115 V HA -0.216 4.045 4.120 0.235 0.000 0.284 115 V C 0.585 176.704 176.094 0.042 0.000 0.997 115 V CA 0.916 63.250 62.300 0.058 0.000 1.196 115 V CB -1.389 30.448 31.823 0.023 0.000 0.832 115 V HN 0.671 nan 8.190 nan 0.000 0.453 116 N N 3.102 121.833 118.700 0.051 0.000 2.445 116 N HA 0.264 5.144 4.740 0.235 0.000 0.264 116 N C 0.549 176.067 175.510 0.013 0.000 1.227 116 N CA -0.104 52.966 53.050 0.034 0.000 0.963 116 N CB 1.058 39.570 38.487 0.042 0.000 1.188 116 N HN 0.758 nan 8.380 nan 0.000 0.491 117 T N -2.073 112.487 114.554 0.010 0.000 2.856 117 T HA 0.054 4.545 4.350 0.235 0.000 0.306 117 T C 1.193 175.905 174.700 0.020 0.000 1.062 117 T CA -0.315 61.792 62.100 0.011 0.000 1.083 117 T CB 1.056 69.931 68.868 0.012 0.000 0.984 117 T HN 0.442 nan 8.240 nan 0.000 0.542 118 E N 0.422 120.632 120.200 0.018 0.000 2.031 118 E HA -0.142 4.349 4.350 0.235 0.000 0.193 118 E C 2.107 178.724 176.600 0.029 0.000 0.994 118 E CA 1.577 57.989 56.400 0.021 0.000 0.800 118 E CB -0.235 29.477 29.700 0.019 0.000 0.752 118 E HN 0.912 nan 8.360 nan 0.000 0.447 119 E N -0.647 119.571 120.200 0.030 0.000 2.147 119 E HA -0.291 4.200 4.350 0.235 0.000 0.199 119 E C 1.753 178.386 176.600 0.055 0.000 1.005 119 E CA 1.264 57.686 56.400 0.036 0.000 0.810 119 E CB -0.155 29.565 29.700 0.033 0.000 0.736 119 E HN 0.332 nan 8.360 nan 0.000 0.460 120 A N 0.737 123.600 122.820 0.070 0.000 1.874 120 A HA -0.054 4.407 4.320 0.235 0.000 0.214 120 A C 2.090 179.753 177.584 0.132 0.000 1.189 120 A CA 0.993 53.107 52.037 0.129 0.000 0.615 120 A CB -0.290 18.766 19.000 0.093 0.000 0.830 120 A HN 0.134 nan 8.150 nan 0.000 0.443 121 R N -0.311 120.228 120.500 0.065 0.000 2.105 121 R HA -0.097 4.384 4.340 0.235 0.000 0.239 121 R C 1.957 178.276 176.300 0.032 0.000 1.135 121 R CA 1.529 57.651 56.100 0.036 0.000 0.967 121 R CB -0.517 29.791 30.300 0.013 0.000 0.861 121 R HN 0.504 nan 8.270 nan 0.000 0.442 122 L N 0.365 121.609 121.223 0.035 0.000 2.023 122 L HA -0.121 4.360 4.340 0.235 0.000 0.205 122 L C 2.618 179.490 176.870 0.003 0.000 1.073 122 L CA 1.127 55.986 54.840 0.032 0.000 0.745 122 L CB -0.498 41.580 42.059 0.032 0.000 0.900 122 L HN 0.101 nan 8.230 nan 0.000 0.435 123 K N 0.145 120.524 120.400 -0.036 0.000 2.160 123 K HA -0.194 4.267 4.320 0.235 0.000 0.206 123 K C 0.327 176.646 176.600 -0.467 0.000 1.047 123 K CA 1.609 57.763 56.287 -0.222 0.000 0.930 123 K CB 0.041 32.398 32.500 -0.239 0.000 0.720 123 K HN 0.269 nan 8.250 nan 0.000 0.450 124 Y N 0.077 120.314 120.300 -0.105 0.000 2.617 124 Y HA 0.242 4.933 4.550 0.235 0.000 0.328 124 Y C 1.060 176.716 175.900 -0.407 0.000 0.946 124 Y CA -0.646 57.237 58.100 -0.362 0.000 1.241 124 Y CB 0.559 38.800 38.460 -0.365 0.000 1.226 124 Y HN -0.115 nan 8.280 nan 0.000 0.582 125 R N 0.652 121.114 120.500 -0.063 0.000 2.113 125 R HA -0.260 4.220 4.340 0.235 0.000 0.244 125 R C 1.602 177.910 176.300 0.013 0.000 1.142 125 R CA 2.447 58.565 56.100 0.030 0.000 0.953 125 R CB -0.778 29.644 30.300 0.204 0.000 0.860 125 R HN 0.753 nan 8.270 nan 0.000 0.438 126 Y N -1.188 119.214 120.300 0.170 0.000 2.256 126 Y HA -0.161 4.529 4.550 0.234 0.000 0.288 126 Y C 2.009 177.927 175.900 0.029 0.000 1.155 126 Y CA 0.557 58.727 58.100 0.116 0.000 1.203 126 Y CB -0.630 37.924 38.460 0.156 0.000 0.980 126 Y HN -0.119 nan 8.280 nan 0.000 0.530 127 L N 0.783 121.833 121.223 -0.290 0.000 2.131 127 L HA -0.111 4.370 4.340 0.235 0.000 0.206 127 L C 2.050 178.843 176.870 -0.128 0.000 1.087 127 L CA 1.743 56.482 54.840 -0.169 0.000 0.767 127 L CB -1.399 40.536 42.059 -0.206 0.000 0.917 127 L HN 0.314 nan 8.230 nan 0.000 0.441 128 D N 0.113 120.442 120.400 -0.119 0.000 2.144 128 D HA -0.180 4.601 4.640 0.235 0.000 0.199 128 D C 2.337 178.584 176.300 -0.089 0.000 0.984 128 D CA 0.970 54.919 54.000 -0.085 0.000 0.834 128 D CB 0.089 40.852 40.800 -0.062 0.000 0.955 128 D HN 0.242 nan 8.370 nan 0.000 0.465 129 L N -0.319 120.848 121.223 -0.094 0.000 2.201 129 L HA -0.046 4.435 4.340 0.235 0.000 0.212 129 L C 2.484 179.286 176.870 -0.113 0.000 1.105 129 L CA 0.612 55.388 54.840 -0.108 0.000 0.775 129 L CB -0.232 41.754 42.059 -0.122 0.000 0.913 129 L HN -0.056 nan 8.230 nan 0.000 0.440 130 R N -0.028 120.392 120.500 -0.134 0.000 2.193 130 R HA -0.063 4.418 4.340 0.235 0.000 0.229 130 R C 0.610 176.834 176.300 -0.125 0.000 1.110 130 R CA 0.477 56.469 56.100 -0.180 0.000 0.988 130 R CB -0.201 29.942 30.300 -0.262 0.000 0.871 130 R HN 0.290 nan 8.270 nan 0.000 0.458 131 R N 1.487 121.930 120.500 -0.096 0.000 2.449 131 R HA 0.007 4.488 4.340 0.235 0.000 0.296 131 R C -1.494 174.769 176.300 -0.061 0.000 1.047 131 R CA -1.127 54.932 56.100 -0.069 0.000 1.018 131 R CB 0.405 30.669 30.300 -0.059 0.000 0.962 131 R HN 0.062 nan 8.270 nan 0.000 0.428 132 P HA -0.307 nan 4.420 nan 0.000 0.216 132 P C 0.901 178.175 177.300 -0.045 0.000 1.157 132 P CA 1.485 64.560 63.100 -0.041 0.000 0.880 132 P CB 0.202 31.886 31.700 -0.027 0.000 0.791 133 E N -0.931 119.244 120.200 -0.041 0.000 2.097 133 E HA -0.192 4.299 4.350 0.235 0.000 0.196 133 E C 2.015 178.585 176.600 -0.049 0.000 1.000 133 E CA 1.506 57.882 56.400 -0.041 0.000 0.804 133 E CB -0.220 29.459 29.700 -0.034 0.000 0.740 133 E HN 0.044 nan 8.360 nan 0.000 0.454 134 M N 0.043 119.609 119.600 -0.056 0.000 2.160 134 M HA 0.001 4.622 4.480 0.235 0.000 0.264 134 M C 2.490 178.744 176.300 -0.077 0.000 1.073 134 M CA 1.302 56.562 55.300 -0.067 0.000 1.142 134 M CB -1.110 31.446 32.600 -0.073 0.000 1.358 134 M HN 0.206 nan 8.290 nan 0.000 0.422 135 A N -0.115 122.659 122.820 -0.076 0.000 1.940 135 A HA -0.230 4.231 4.320 0.235 0.000 0.219 135 A C 2.125 179.667 177.584 -0.070 0.000 1.176 135 A CA 1.974 53.965 52.037 -0.077 0.000 0.631 135 A CB -0.736 18.222 19.000 -0.070 0.000 0.814 135 A HN 0.495 nan 8.150 nan 0.000 0.446 136 Q N 0.262 120.023 119.800 -0.064 0.000 2.135 136 Q HA -0.160 4.321 4.340 0.235 0.000 0.204 136 Q C 2.092 178.049 176.000 -0.071 0.000 0.981 136 Q CA 2.027 57.792 55.803 -0.064 0.000 0.856 136 Q CB -0.363 28.341 28.738 -0.057 0.000 0.902 136 Q HN 0.690 nan 8.270 nan 0.000 0.425 137 R N -0.538 119.918 120.500 -0.072 0.000 2.120 137 R HA -0.043 4.438 4.340 0.235 0.000 0.234 137 R C 2.261 178.512 176.300 -0.081 0.000 1.123 137 R CA 1.295 57.349 56.100 -0.078 0.000 0.975 137 R CB -0.315 29.941 30.300 -0.073 0.000 0.866 137 R HN 0.322 nan 8.270 nan 0.000 0.446 138 L N 0.579 121.753 121.223 -0.080 0.000 2.291 138 L HA -0.111 4.370 4.340 0.235 0.000 0.214 138 L C 2.015 178.844 176.870 -0.069 0.000 1.120 138 L CA 1.186 55.980 54.840 -0.077 0.000 0.799 138 L CB -0.184 41.824 42.059 -0.085 0.000 0.925 138 L HN 0.155 nan 8.230 nan 0.000 0.446 139 K N -0.566 119.792 120.400 -0.070 0.000 2.076 139 K HA -0.048 4.413 4.320 0.235 0.000 0.204 139 K C 2.024 178.578 176.600 -0.076 0.000 1.051 139 K CA 1.452 57.699 56.287 -0.067 0.000 0.949 139 K CB -0.177 32.283 32.500 -0.068 0.000 0.726 139 K HN 0.163 nan 8.250 nan 0.000 0.443 140 T N 1.130 115.631 114.554 -0.089 0.000 2.867 140 T HA -0.073 4.418 4.350 0.235 0.000 0.268 140 T C 1.777 176.408 174.700 -0.116 0.000 1.057 140 T CA 0.774 62.807 62.100 -0.112 0.000 1.136 140 T CB -0.029 68.763 68.868 -0.127 0.000 0.874 140 T HN 0.151 nan 8.240 nan 0.000 0.466 141 R N 0.977 121.419 120.500 -0.097 0.000 2.080 141 R HA -0.043 4.438 4.340 0.235 0.000 0.236 141 R C 2.780 179.036 176.300 -0.073 0.000 1.137 141 R CA 1.613 57.662 56.100 -0.086 0.000 0.943 141 R CB -0.758 29.503 30.300 -0.066 0.000 0.846 141 R HN 0.417 nan 8.270 nan 0.000 0.431 142 A N 1.155 123.939 122.820 -0.059 0.000 1.940 142 A HA -0.215 4.246 4.320 0.235 0.000 0.219 142 A C 2.103 179.657 177.584 -0.048 0.000 1.176 142 A CA 1.737 53.748 52.037 -0.043 0.000 0.631 142 A CB -0.385 18.593 19.000 -0.036 0.000 0.814 142 A HN 0.314 nan 8.150 nan 0.000 0.446 143 K N -0.379 119.980 120.400 -0.069 0.000 2.148 143 K HA -0.013 4.447 4.320 0.235 0.000 0.204 143 K C 1.706 178.252 176.600 -0.091 0.000 1.050 143 K CA 1.175 57.416 56.287 -0.077 0.000 0.942 143 K CB -0.253 32.188 32.500 -0.098 0.000 0.724 143 K HN 0.529 nan 8.250 nan 0.000 0.446 144 I N 0.988 121.492 120.570 -0.111 0.000 2.233 144 I HA -0.234 4.077 4.170 0.235 0.000 0.243 144 I C 2.269 178.338 176.117 -0.081 0.000 1.093 144 I CA 1.624 62.846 61.300 -0.130 0.000 1.380 144 I CB -0.489 37.416 38.000 -0.158 0.000 1.067 144 I HN 0.332 nan 8.210 nan 0.000 0.413 145 T N -2.576 111.949 114.554 -0.048 0.000 2.962 145 T HA -0.133 4.358 4.350 0.235 0.000 0.270 145 T C 1.924 176.635 174.700 0.018 0.000 1.088 145 T CA 1.339 63.434 62.100 -0.007 0.000 1.127 145 T CB -0.261 68.610 68.868 0.006 0.000 0.883 145 T HN 0.260 nan 8.240 nan 0.000 0.493 146 S N 0.841 116.545 115.700 0.006 0.000 2.362 146 S HA 0.132 4.743 4.470 0.235 0.000 0.221 146 S C 1.966 176.594 174.600 0.047 0.000 1.032 146 S CA 0.382 58.599 58.200 0.028 0.000 0.973 146 S CB -0.533 62.674 63.200 0.013 0.000 0.849 146 S HN 0.538 nan 8.310 nan 0.000 0.465 147 L N 1.195 122.432 121.223 0.024 0.000 2.083 147 L HA -0.056 4.424 4.340 0.235 0.000 0.209 147 L C 2.489 179.426 176.870 0.113 0.000 1.083 147 L CA 0.870 55.754 54.840 0.073 0.000 0.752 147 L CB -0.558 41.483 42.059 -0.030 0.000 0.899 147 L HN 0.230 nan 8.230 nan 0.000 0.433 148 V N -0.234 119.697 119.914 0.027 0.000 2.237 148 V HA -0.281 3.980 4.120 0.235 0.000 0.245 148 V C 2.620 178.720 176.094 0.011 0.000 1.046 148 V CA 1.769 64.066 62.300 -0.006 0.000 1.007 148 V CB -0.606 31.188 31.823 -0.048 0.000 0.638 148 V HN 0.403 nan 8.190 nan 0.000 0.445 149 R N -0.257 120.279 120.500 0.060 0.000 2.091 149 R HA -0.153 4.327 4.340 0.235 0.000 0.238 149 R C 2.511 178.862 176.300 0.086 0.000 1.136 149 R CA 1.545 57.713 56.100 0.113 0.000 0.959 149 R CB -0.397 30.043 30.300 0.233 0.000 0.856 149 R HN 0.519 nan 8.270 nan 0.000 0.437 150 R N -0.369 120.195 120.500 0.108 0.000 2.081 150 R HA -0.137 4.344 4.340 0.235 0.000 0.235 150 R C 2.184 178.544 176.300 0.100 0.000 1.131 150 R CA 1.476 57.639 56.100 0.106 0.000 0.960 150 R CB -0.466 29.903 30.300 0.115 0.000 0.856 150 R HN 0.188 nan 8.270 nan 0.000 0.436 151 F N 1.447 121.382 119.950 -0.025 0.000 2.102 151 F HA -0.223 4.444 4.527 0.233 0.000 0.298 151 F C 2.260 178.057 175.800 -0.006 0.000 1.105 151 F CA 1.495 59.465 58.000 -0.051 0.000 1.239 151 F CB -0.020 38.887 39.000 -0.155 0.000 0.991 151 F HN -0.127 nan 8.300 nan 0.000 0.474 152 M N 0.154 119.729 119.600 -0.042 0.000 2.117 152 M HA -0.187 4.434 4.480 0.235 0.000 0.262 152 M C 1.772 178.066 176.300 -0.009 0.000 1.065 152 M CA 1.443 56.572 55.300 -0.286 0.000 1.114 152 M CB -1.401 30.535 32.600 -1.108 0.000 1.361 152 M HN 0.133 nan 8.290 nan 0.000 0.408 153 D N 0.528 120.944 120.400 0.026 0.000 2.097 153 D HA -0.159 4.622 4.640 0.235 0.000 0.195 153 D C 1.624 177.972 176.300 0.081 0.000 0.989 153 D CA 1.246 55.334 54.000 0.146 0.000 0.827 153 D CB -0.408 40.480 40.800 0.147 0.000 0.966 153 D HN 0.308 nan 8.370 nan 0.000 0.456 154 D N -0.584 119.819 120.400 0.006 0.000 2.263 154 D HA -0.139 4.642 4.640 0.235 0.000 0.208 154 D C 0.824 176.989 176.300 -0.225 0.000 0.971 154 D CA 0.892 54.828 54.000 -0.106 0.000 0.867 154 D CB -0.039 40.661 40.800 -0.167 0.000 0.929 154 D HN 0.268 nan 8.370 nan 0.000 0.492 155 H N -1.604 117.387 119.070 -0.132 0.000 2.519 155 H HA 0.410 5.111 4.556 0.241 0.000 0.289 155 H C 1.298 176.656 175.328 0.049 0.000 1.040 155 H CA 0.477 56.502 56.048 -0.038 0.000 1.165 155 H CB 0.467 30.231 29.762 0.003 0.000 1.462 155 H HN 0.112 nan 8.280 nan 0.000 0.555 156 G N 0.198 109.059 108.800 0.102 0.000 2.176 156 G HA2 -0.296 3.805 3.960 0.235 0.000 0.252 156 G HA3 -0.296 3.805 3.960 0.235 0.000 0.252 156 G C -0.280 174.638 174.900 0.030 0.000 1.024 156 G CA -0.157 44.964 45.100 0.035 0.000 0.755 156 G HN 0.236 nan 8.290 nan 0.000 0.507 157 F N -0.916 119.124 119.950 0.150 0.000 2.399 157 F HA 0.693 5.373 4.527 0.255 0.000 0.334 157 F C 0.554 176.567 175.800 0.356 0.000 1.097 157 F CA -1.260 56.893 58.000 0.254 0.000 1.076 157 F CB 1.443 40.583 39.000 0.235 0.000 1.162 157 F HN -0.021 nan 8.300 nan 0.000 0.495 158 L N 3.019 124.508 121.223 0.445 0.000 2.275 158 L HA 0.262 4.742 4.340 0.235 0.000 0.288 158 L C -0.327 176.562 176.870 0.032 0.000 1.046 158 L CA -0.446 54.545 54.840 0.252 0.000 0.805 158 L CB 0.771 42.945 42.059 0.192 0.000 1.193 158 L HN 0.414 nan 8.230 nan 0.000 0.426 159 D N 5.190 125.468 120.400 -0.203 0.000 2.374 159 D HA 0.231 5.012 4.640 0.235 0.000 0.240 159 D C -0.611 175.518 176.300 -0.285 0.000 1.229 159 D CA 0.210 53.831 54.000 -0.632 0.000 0.895 159 D CB 0.050 40.496 40.800 -0.590 0.000 1.046 159 D HN 0.301 nan 8.370 nan 0.000 0.498 160 I N 3.206 123.664 120.570 -0.188 0.000 2.418 160 I HA 0.191 4.502 4.170 0.235 0.000 0.287 160 I C 0.560 176.695 176.117 0.029 0.000 1.008 160 I CA -0.874 60.394 61.300 -0.053 0.000 1.104 160 I CB 1.723 39.699 38.000 -0.039 0.000 1.264 160 I HN 0.154 nan 8.210 nan 0.000 0.438 161 E N 4.177 124.352 120.200 -0.041 0.000 2.354 161 E HA 0.264 4.755 4.350 0.235 0.000 0.269 161 E C -0.188 176.383 176.600 -0.048 0.000 1.036 161 E CA -0.165 56.215 56.400 -0.034 0.000 0.876 161 E CB 1.166 30.832 29.700 -0.057 0.000 1.009 161 E HN 0.620 nan 8.360 nan 0.000 0.416 162 T N -0.520 113.995 114.554 -0.066 0.000 2.942 162 T HA 0.522 5.013 4.350 0.235 0.000 0.289 162 T C -2.409 172.126 174.700 -0.274 0.000 1.044 162 T CA -1.997 59.990 62.100 -0.189 0.000 1.023 162 T CB 1.427 70.199 68.868 -0.162 0.000 1.123 162 T HN 0.226 nan 8.240 nan 0.000 0.512 163 P HA 0.209 nan 4.420 nan 0.000 0.271 163 P C 0.207 177.328 177.300 -0.299 0.000 1.218 163 P CA -0.493 62.363 63.100 -0.406 0.000 0.780 163 P CB 0.773 32.152 31.700 -0.536 0.000 0.901 164 M N 1.052 120.535 119.600 -0.196 0.000 2.691 164 M HA 0.158 4.779 4.480 0.235 0.000 0.261 164 M C 1.028 177.224 176.300 -0.174 0.000 1.227 164 M CA 0.761 55.975 55.300 -0.144 0.000 1.197 164 M CB -0.394 32.128 32.600 -0.130 0.000 1.294 164 M HN 0.281 nan 8.290 nan 0.000 0.508 165 L N 1.258 122.347 121.223 -0.222 0.000 2.385 165 L HA 0.175 4.656 4.340 0.235 0.000 0.285 165 L C 0.413 177.246 176.870 -0.062 0.000 1.125 165 L CA 0.012 54.683 54.840 -0.282 0.000 0.890 165 L CB 0.098 41.786 42.059 -0.618 0.000 1.251 165 L HN 0.232 nan 8.230 nan 0.000 0.445 166 T N 1.498 116.103 114.554 0.086 0.000 2.587 166 T HA 0.361 4.852 4.350 0.235 0.000 0.282 166 T C -0.939 173.884 174.700 0.205 0.000 1.018 166 T CA -0.551 61.637 62.100 0.145 0.000 1.120 166 T CB 1.755 70.631 68.868 0.014 0.000 1.538 166 T HN 0.329 nan 8.240 nan 0.000 0.480 167 K N 0.501 121.025 120.400 0.207 0.000 2.106 167 K HA 0.800 5.261 4.320 0.235 0.000 0.246 167 K C -0.599 176.114 176.600 0.189 0.000 0.987 167 K CA -0.285 56.090 56.287 0.147 0.000 0.904 167 K CB 1.119 33.651 32.500 0.055 0.000 1.071 167 K HN 0.676 nan 8.250 nan 0.000 0.453 168 A N 1.950 124.856 122.820 0.144 0.000 2.451 168 A HA 0.275 4.736 4.320 0.235 0.000 0.266 168 A C -0.659 177.074 177.584 0.249 0.000 1.119 168 A CA 0.117 52.248 52.037 0.157 0.000 0.786 168 A CB -0.344 18.699 19.000 0.073 0.000 1.061 168 A HN 0.622 nan 8.150 nan 0.000 0.503 169 T N 5.699 120.420 114.554 0.277 0.000 2.772 169 T HA 0.465 4.956 4.350 0.235 0.000 0.288 169 T C -2.752 172.139 174.700 0.319 0.000 0.994 169 T CA -0.942 61.363 62.100 0.341 0.000 0.951 169 T CB 1.312 70.354 68.868 0.290 0.000 0.933 169 T HN 0.376 nan 8.240 nan 0.000 0.447 170 P HA 0.236 nan 4.420 nan 0.000 0.267 170 P C 0.408 177.823 177.300 0.192 0.000 1.328 170 P CA -0.048 63.217 63.100 0.275 0.000 0.990 170 P CB 0.427 32.294 31.700 0.279 0.000 1.168 171 E N 1.666 121.960 120.200 0.158 0.000 2.526 171 E HA 0.174 4.665 4.350 0.235 0.000 0.208 171 E C 1.536 178.179 176.600 0.070 0.000 0.997 171 E CA 0.266 56.736 56.400 0.117 0.000 0.961 171 E CB 0.620 30.412 29.700 0.154 0.000 1.030 171 E HN 0.553 nan 8.360 nan 0.000 0.483 172 G N 0.985 109.829 108.800 0.074 0.000 2.436 172 G HA2 -0.219 3.882 3.960 0.235 0.000 0.204 172 G HA3 -0.219 3.882 3.960 0.235 0.000 0.204 172 G C 0.737 175.667 174.900 0.050 0.000 1.026 172 G CA -0.026 45.102 45.100 0.047 0.000 0.658 172 G HN 0.484 nan 8.290 nan 0.000 0.499 173 A N 0.632 123.491 122.820 0.066 0.000 2.262 173 A HA 0.738 5.199 4.320 0.235 0.000 0.273 173 A C 0.798 178.400 177.584 0.030 0.000 1.202 173 A CA 0.830 52.897 52.037 0.050 0.000 0.811 173 A CB 0.200 19.246 19.000 0.077 0.000 1.159 173 A HN 0.881 nan 8.150 nan 0.000 0.505 174 R N -0.202 120.289 120.500 -0.016 0.000 2.459 174 R HA 0.266 4.747 4.340 0.235 0.000 0.281 174 R C -1.345 174.903 176.300 -0.087 0.000 1.050 174 R CA -0.511 55.552 56.100 -0.061 0.000 1.055 174 R CB 0.491 30.726 30.300 -0.108 0.000 1.045 174 R HN 0.718 nan 8.270 nan 0.000 0.495 175 D N 2.499 122.858 120.400 -0.068 0.000 2.177 175 D HA 0.135 4.916 4.640 0.235 0.000 0.247 175 D C -0.861 175.396 176.300 -0.071 0.000 1.063 175 D CA -0.019 53.967 54.000 -0.024 0.000 0.867 175 D CB 0.922 41.744 40.800 0.037 0.000 1.168 175 D HN 0.367 nan 8.370 nan 0.000 0.445 176 Y N 1.123 121.462 120.300 0.065 0.000 2.319 176 Y HA 0.245 4.932 4.550 0.229 0.000 0.328 176 Y C 0.702 176.621 175.900 0.031 0.000 1.133 176 Y CA -0.156 57.968 58.100 0.041 0.000 1.265 176 Y CB 0.723 39.201 38.460 0.030 0.000 1.218 176 Y HN 0.066 nan 8.280 nan 0.000 0.508 177 L N 2.950 124.294 121.223 0.201 0.000 2.331 177 L HA 0.787 5.268 4.340 0.235 0.000 0.268 177 L C -0.910 176.134 176.870 0.290 0.000 1.015 177 L CA -1.309 53.653 54.840 0.203 0.000 0.807 177 L CB 1.614 43.702 42.059 0.048 0.000 1.293 177 L HN 0.209 nan 8.230 nan 0.000 0.451 178 V N 1.562 121.719 119.914 0.406 0.000 2.568 178 V HA 0.224 4.485 4.120 0.235 0.000 0.276 178 V C -2.342 173.932 176.094 0.299 0.000 1.002 178 V CA -1.175 61.310 62.300 0.307 0.000 0.879 178 V CB 1.605 33.540 31.823 0.186 0.000 1.040 178 V HN 0.592 nan 8.190 nan 0.000 0.457 179 P HA 0.073 nan 4.420 nan 0.000 0.268 179 P C -0.133 177.048 177.300 -0.197 0.000 1.204 179 P CA 0.414 63.169 63.100 -0.574 0.000 0.768 179 P CB 1.278 32.596 31.700 -0.638 0.000 0.842 180 S N 2.280 117.845 115.700 -0.224 0.000 2.475 180 S HA 0.145 4.756 4.470 0.235 0.000 0.281 180 S C 1.386 175.946 174.600 -0.066 0.000 1.198 180 S CA -0.712 57.480 58.200 -0.014 0.000 1.063 180 S CB 0.184 63.395 63.200 0.017 0.000 0.972 180 S HN 0.461 nan 8.310 nan 0.000 0.486 181 R N 3.430 123.913 120.500 -0.028 0.000 2.062 181 R HA -0.055 4.426 4.340 0.235 0.000 0.229 181 R C 1.903 178.157 176.300 -0.076 0.000 1.128 181 R CA 2.065 58.132 56.100 -0.055 0.000 0.960 181 R CB -0.632 29.644 30.300 -0.039 0.000 0.855 181 R HN 0.716 nan 8.270 nan 0.000 0.432 182 V N -1.619 118.240 119.914 -0.092 0.000 2.453 182 V HA -0.058 4.203 4.120 0.235 0.000 0.247 182 V C 0.791 176.681 176.094 -0.341 0.000 1.048 182 V CA 1.267 63.436 62.300 -0.219 0.000 1.049 182 V CB -0.580 31.076 31.823 -0.278 0.000 0.672 182 V HN 0.258 nan 8.190 nan 0.000 0.457 183 H N 2.974 122.009 119.070 -0.058 0.000 2.486 183 H HA 0.372 5.069 4.556 0.235 0.000 0.239 183 H C 0.029 175.291 175.328 -0.109 0.000 1.480 183 H CA -0.649 55.351 56.048 -0.080 0.000 1.324 183 H CB 0.361 30.060 29.762 -0.105 0.000 1.486 183 H HN 0.675 nan 8.280 nan 0.000 0.544 184 K N -0.158 120.224 120.400 -0.030 0.000 2.489 184 K HA 0.221 4.682 4.320 0.235 0.000 0.278 184 K C 0.954 177.523 176.600 -0.052 0.000 1.000 184 K CA 0.505 56.753 56.287 -0.064 0.000 1.012 184 K CB 0.636 33.104 32.500 -0.054 0.000 0.903 184 K HN 0.549 nan 8.250 nan 0.000 0.485 185 G N 1.810 110.552 108.800 -0.096 0.000 2.217 185 G HA2 -0.301 3.800 3.960 0.235 0.000 0.246 185 G HA3 -0.301 3.800 3.960 0.235 0.000 0.246 185 G C -0.447 174.473 174.900 0.032 0.000 0.990 185 G CA 0.530 45.621 45.100 -0.015 0.000 0.627 185 G HN 0.789 nan 8.290 nan 0.000 0.522 186 K N -0.338 120.012 120.400 -0.083 0.000 2.259 186 K HA 0.822 5.283 4.320 0.235 0.000 0.249 186 K C -0.921 175.581 176.600 -0.162 0.000 0.942 186 K CA -1.083 55.208 56.287 0.006 0.000 0.816 186 K CB 1.896 34.364 32.500 -0.052 0.000 1.155 186 K HN 0.016 nan 8.250 nan 0.000 0.428 187 F N 0.331 120.211 119.950 -0.116 0.000 2.613 187 F HA 0.490 5.157 4.527 0.234 0.000 0.342 187 F C -0.202 175.493 175.800 -0.175 0.000 1.066 187 F CA -0.988 56.964 58.000 -0.080 0.000 1.002 187 F CB 0.864 39.869 39.000 0.008 0.000 1.319 187 F HN 0.414 nan 8.300 nan 0.000 0.495 188 Y N -0.351 120.072 120.300 0.205 0.000 2.621 188 Y HA 0.751 5.442 4.550 0.234 0.000 0.334 188 Y C -0.199 175.764 175.900 0.105 0.000 1.074 188 Y CA -1.318 56.841 58.100 0.097 0.000 1.149 188 Y CB 1.636 40.117 38.460 0.037 0.000 1.302 188 Y HN 0.629 nan 8.280 nan 0.000 0.501 189 A N 1.436 124.408 122.820 0.253 0.000 2.371 189 A HA 0.692 5.152 4.320 0.235 0.000 0.311 189 A C -1.411 176.241 177.584 0.112 0.000 1.068 189 A CA -0.753 51.383 52.037 0.166 0.000 0.744 189 A CB 0.718 19.803 19.000 0.141 0.000 1.239 189 A HN 0.720 nan 8.150 nan 0.000 0.435 190 L N 3.640 124.905 121.223 0.070 0.000 2.397 190 L HA 0.333 4.814 4.340 0.235 0.000 0.271 190 L C -1.785 175.171 176.870 0.143 0.000 1.148 190 L CA -1.663 53.139 54.840 -0.063 0.000 0.825 190 L CB 1.102 42.947 42.059 -0.355 0.000 1.117 190 L HN 0.529 nan 8.230 nan 0.000 0.456 191 P HA 0.031 nan 4.420 nan 0.000 0.271 191 P C -0.537 176.950 177.300 0.312 0.000 1.220 191 P CA -0.195 63.053 63.100 0.247 0.000 0.768 191 P CB 0.989 32.800 31.700 0.184 0.000 0.848 192 Q N 1.363 121.319 119.800 0.260 0.000 2.378 192 Q HA 0.039 4.520 4.340 0.235 0.000 0.205 192 Q C 0.490 176.603 176.000 0.188 0.000 0.954 192 Q CA 0.720 56.672 55.803 0.249 0.000 0.901 192 Q CB 0.134 29.011 28.738 0.232 0.000 0.981 192 Q HN 0.729 nan 8.270 nan 0.000 0.483 193 S N -2.444 113.359 115.700 0.172 0.000 2.710 193 S HA 0.154 4.765 4.470 0.235 0.000 0.274 193 S C -2.964 171.741 174.600 0.175 0.000 1.029 193 S CA -1.124 57.161 58.200 0.141 0.000 0.864 193 S CB 0.644 63.946 63.200 0.169 0.000 1.103 193 S HN -0.222 nan 8.310 nan 0.000 0.460 194 P HA 0.182 nan 4.420 nan 0.000 0.255 194 P C 1.306 178.729 177.300 0.206 0.000 1.301 194 P CA 0.130 63.354 63.100 0.207 0.000 0.817 194 P CB 0.169 31.982 31.700 0.188 0.000 1.259 195 Q N 1.245 121.140 119.800 0.159 0.000 1.968 195 Q HA -0.245 4.236 4.340 0.235 0.000 0.216 195 Q C 1.775 177.753 176.000 -0.037 0.000 1.037 195 Q CA 2.151 57.992 55.803 0.064 0.000 0.889 195 Q CB -1.397 27.344 28.738 0.006 0.000 0.998 195 Q HN 0.192 nan 8.270 nan 0.000 0.417 196 L N -0.988 120.172 121.223 -0.104 0.000 2.081 196 L HA -0.196 4.285 4.340 0.235 0.000 0.212 196 L C 2.401 179.150 176.870 -0.202 0.000 1.080 196 L CA 1.381 56.078 54.840 -0.238 0.000 0.754 196 L CB -0.526 41.430 42.059 -0.172 0.000 0.893 196 L HN 0.251 nan 8.230 nan 0.000 0.433 197 F N 0.588 120.516 119.950 -0.036 0.000 2.206 197 F HA -0.179 4.485 4.527 0.227 0.000 0.298 197 F C 2.567 178.265 175.800 -0.172 0.000 1.090 197 F CA 1.376 59.330 58.000 -0.077 0.000 1.323 197 F CB -0.329 38.620 39.000 -0.085 0.000 1.028 197 F HN 0.107 nan 8.300 nan 0.000 0.492 198 K N 0.091 120.438 120.400 -0.087 0.000 2.155 198 K HA -0.139 4.322 4.320 0.235 0.000 0.203 198 K C 1.782 178.315 176.600 -0.112 0.000 1.052 198 K CA 1.220 57.285 56.287 -0.370 0.000 0.948 198 K CB -0.555 31.670 32.500 -0.458 0.000 0.728 198 K HN 0.296 nan 8.250 nan 0.000 0.448 199 Q N 1.055 120.848 119.800 -0.012 0.000 2.046 199 Q HA -0.023 4.458 4.340 0.235 0.000 0.200 199 Q C 2.219 178.197 176.000 -0.037 0.000 0.975 199 Q CA 1.380 57.230 55.803 0.079 0.000 0.836 199 Q CB -0.146 28.656 28.738 0.106 0.000 0.896 199 Q HN 0.345 nan 8.270 nan 0.000 0.428 200 L N 0.380 121.577 121.223 -0.043 0.000 2.131 200 L HA -0.207 4.274 4.340 0.235 0.000 0.210 200 L C 2.234 179.122 176.870 0.029 0.000 1.092 200 L CA 0.804 55.633 54.840 -0.019 0.000 0.759 200 L CB -0.355 41.690 42.059 -0.023 0.000 0.903 200 L HN 0.287 nan 8.230 nan 0.000 0.435 201 L N -1.274 119.970 121.223 0.034 0.000 2.141 201 L HA -0.211 4.270 4.340 0.235 0.000 0.209 201 L C 2.703 179.701 176.870 0.214 0.000 1.094 201 L CA 0.800 55.738 54.840 0.163 0.000 0.763 201 L CB -0.340 41.707 42.059 -0.019 0.000 0.908 201 L HN 0.317 nan 8.230 nan 0.000 0.437 202 M N -0.884 118.753 119.600 0.061 0.000 2.099 202 M HA -0.181 4.440 4.480 0.235 0.000 0.262 202 M C 2.335 178.584 176.300 -0.084 0.000 1.067 202 M CA 1.828 57.128 55.300 -0.000 0.000 1.124 202 M CB -0.847 31.678 32.600 -0.124 0.000 1.353 202 M HN 0.273 nan 8.290 nan 0.000 0.410 203 M N -0.598 118.916 119.600 -0.143 0.000 2.279 203 M HA -0.144 4.477 4.480 0.235 0.000 0.264 203 M C 1.908 178.185 176.300 -0.039 0.000 1.062 203 M CA 1.153 56.385 55.300 -0.114 0.000 1.099 203 M CB -0.563 31.985 32.600 -0.087 0.000 1.394 203 M HN 0.165 nan 8.290 nan 0.000 0.426 204 S N -0.472 115.234 115.700 0.009 0.000 2.489 204 S HA 0.109 4.719 4.470 0.235 0.000 0.228 204 S C 1.588 176.086 174.600 -0.170 0.000 0.995 204 S CA 0.936 59.122 58.200 -0.022 0.000 0.934 204 S CB 0.121 63.400 63.200 0.131 0.000 0.771 204 S HN 0.776 nan 8.310 nan 0.000 0.522 205 G N 0.602 109.342 108.800 -0.100 0.000 2.238 205 G HA2 -0.215 3.886 3.960 0.235 0.000 0.217 205 G HA3 -0.215 3.886 3.960 0.235 0.000 0.217 205 G C 0.085 174.914 174.900 -0.120 0.000 0.996 205 G CA -0.567 44.457 45.100 -0.127 0.000 0.632 205 G HN 0.425 nan 8.290 nan 0.000 0.503 206 F N 1.512 121.496 119.950 0.057 0.000 2.602 206 F HA 0.414 5.085 4.527 0.240 0.000 0.367 206 F C 1.484 177.338 175.800 0.089 0.000 1.126 206 F CA 0.855 58.903 58.000 0.080 0.000 1.321 206 F CB 0.655 39.718 39.000 0.106 0.000 1.094 206 F HN 0.108 nan 8.300 nan 0.000 0.594 207 D N 0.947 121.486 120.400 0.232 0.000 2.262 207 D HA 0.074 4.855 4.640 0.235 0.000 0.212 207 D C 0.108 176.495 176.300 0.144 0.000 0.964 207 D CA 0.759 54.861 54.000 0.171 0.000 0.875 207 D CB 0.401 41.274 40.800 0.122 0.000 0.996 207 D HN 0.401 nan 8.370 nan 0.000 0.497 208 R N -0.058 120.507 120.500 0.109 0.000 2.476 208 R HA 0.317 4.798 4.340 0.235 0.000 0.305 208 R C -1.481 175.036 176.300 0.361 0.000 0.965 208 R CA -0.809 55.302 56.100 0.019 0.000 0.867 208 R CB 1.827 31.710 30.300 -0.696 0.000 1.176 208 R HN 0.103 nan 8.270 nan 0.000 0.447 209 Y N 3.874 124.432 120.300 0.431 0.000 2.509 209 Y HA 0.595 5.279 4.550 0.223 0.000 0.341 209 Y C -1.383 174.863 175.900 0.576 0.000 1.038 209 Y CA -0.977 57.369 58.100 0.411 0.000 1.089 209 Y CB 1.484 40.088 38.460 0.240 0.000 1.241 209 Y HN 0.622 nan 8.280 nan 0.000 0.468 210 Y N 2.101 121.889 120.300 -0.854 0.000 2.641 210 Y HA 0.573 5.248 4.550 0.209 0.000 0.333 210 Y C -2.072 173.339 175.900 -0.814 0.000 1.174 210 Y CA -1.025 56.578 58.100 -0.829 0.000 1.057 210 Y CB 1.249 39.540 38.460 -0.281 0.000 1.322 210 Y HN 0.856 nan 8.280 nan 0.000 0.457 211 Q N 3.153 122.645 119.800 -0.513 0.000 2.438 211 Q HA 0.482 4.963 4.340 0.235 0.000 0.272 211 Q C -2.171 173.799 176.000 -0.051 0.000 0.994 211 Q CA -0.827 54.771 55.803 -0.343 0.000 0.887 211 Q CB 2.051 30.683 28.738 -0.177 0.000 1.432 211 Q HN 0.808 nan 8.270 nan 0.000 0.392 212 I N 4.926 125.481 120.570 -0.025 0.000 2.287 212 I HA 0.263 4.574 4.170 0.235 0.000 0.290 212 I C 0.121 176.235 176.117 -0.005 0.000 1.069 212 I CA -0.269 61.049 61.300 0.030 0.000 1.237 212 I CB 0.127 38.153 38.000 0.042 0.000 1.418 212 I HN 0.422 nan 8.210 nan 0.000 0.481 213 V N 3.706 123.616 119.914 -0.007 0.000 2.919 213 V HA 0.634 4.895 4.120 0.235 0.000 0.316 213 V C -0.114 175.902 176.094 -0.131 0.000 1.077 213 V CA -1.240 61.037 62.300 -0.039 0.000 0.977 213 V CB 2.305 34.124 31.823 -0.007 0.000 1.039 213 V HN 0.432 nan 8.190 nan 0.000 0.441 214 K N 1.124 121.426 120.400 -0.162 0.000 2.227 214 K HA 0.655 5.116 4.320 0.235 0.000 0.280 214 K C -0.977 175.296 176.600 -0.544 0.000 1.041 214 K CA 0.024 56.084 56.287 -0.378 0.000 0.905 214 K CB 0.570 32.913 32.500 -0.262 0.000 1.068 214 K HN 0.992 nan 8.250 nan 0.000 0.470 215 C N 3.984 122.716 119.300 -0.947 0.000 2.493 215 C HA 0.627 5.228 4.460 0.235 0.000 0.326 215 C C -1.073 173.363 174.990 -0.923 0.000 1.200 215 C CA -0.956 57.576 59.018 -0.809 0.000 1.739 215 C CB 0.114 27.248 27.740 -1.010 0.000 2.300 215 C HN 0.674 nan 8.230 nan 0.000 0.500 216 F N 1.627 121.571 119.950 -0.010 0.000 2.499 216 F HA 0.598 5.278 4.527 0.254 0.000 0.333 216 F C 0.453 176.485 175.800 0.386 0.000 1.138 216 F CA -0.624 57.515 58.000 0.231 0.000 0.945 216 F CB 0.907 40.029 39.000 0.204 0.000 1.181 216 F HN 0.336 nan 8.300 nan 0.000 0.435 217 R N 1.193 122.043 120.500 0.584 0.000 2.451 217 R HA 0.213 4.693 4.340 0.235 0.000 0.307 217 R C -1.211 175.196 176.300 0.178 0.000 0.965 217 R CA -0.854 55.450 56.100 0.339 0.000 0.865 217 R CB 1.803 32.288 30.300 0.308 0.000 1.174 217 R HN 0.434 nan 8.270 nan 0.000 0.455 218 D N 3.046 123.275 120.400 -0.286 0.000 2.600 218 D HA 0.020 4.801 4.640 0.235 0.000 0.226 218 D C -0.342 175.853 176.300 -0.175 0.000 1.119 218 D CA 0.557 54.207 54.000 -0.583 0.000 1.051 218 D CB 0.374 40.494 40.800 -1.134 0.000 1.106 218 D HN 0.297 nan 8.370 nan 0.000 0.491 219 E N 0.770 120.961 120.200 -0.014 0.000 2.393 219 E HA 0.307 4.798 4.350 0.235 0.000 0.265 219 E C -0.471 176.154 176.600 0.042 0.000 0.941 219 E CA -0.747 55.659 56.400 0.009 0.000 0.801 219 E CB 1.041 30.754 29.700 0.021 0.000 1.313 219 E HN 0.238 nan 8.360 nan 0.000 0.435 220 D N 0.625 121.042 120.400 0.028 0.000 2.313 220 D HA 0.263 5.043 4.640 0.235 0.000 0.247 220 D C 0.245 176.566 176.300 0.035 0.000 1.094 220 D CA -0.263 53.757 54.000 0.034 0.000 0.925 220 D CB 0.879 41.692 40.800 0.021 0.000 1.188 220 D HN 0.063 nan 8.370 nan 0.000 0.430 221 L N 1.477 122.725 121.223 0.041 0.000 2.490 221 L HA 0.508 4.989 4.340 0.235 0.000 0.245 221 L C 0.637 177.523 176.870 0.026 0.000 1.185 221 L CA -0.038 54.824 54.840 0.037 0.000 0.813 221 L CB 0.063 42.150 42.059 0.047 0.000 1.233 221 L HN 0.279 nan 8.230 nan 0.000 0.489 222 R N -1.744 118.773 120.500 0.027 0.000 2.741 222 R HA 0.583 5.064 4.340 0.235 0.000 0.274 222 R C 0.103 176.427 176.300 0.039 0.000 1.029 222 R CA 0.000 56.117 56.100 0.029 0.000 0.880 222 R CB 0.889 31.202 30.300 0.022 0.000 1.264 222 R HN 0.526 nan 8.270 nan 0.000 0.465 223 A N 0.299 123.148 122.820 0.048 0.000 2.125 223 A HA -0.122 4.339 4.320 0.235 0.000 0.219 223 A C 0.375 178.011 177.584 0.087 0.000 1.156 223 A CA 2.101 54.176 52.037 0.063 0.000 0.671 223 A CB -0.525 18.517 19.000 0.070 0.000 0.794 223 A HN 0.612 nan 8.150 nan 0.000 0.459 224 D N -1.950 118.501 120.400 0.086 0.000 2.571 224 D HA 0.213 4.994 4.640 0.235 0.000 0.239 224 D C 0.101 176.420 176.300 0.032 0.000 1.267 224 D CA -0.244 53.823 54.000 0.111 0.000 0.823 224 D CB -0.142 40.793 40.800 0.224 0.000 1.056 224 D HN 0.288 nan 8.370 nan 0.000 0.494 225 R N 0.314 120.818 120.500 0.007 0.000 2.515 225 R HA 0.403 4.884 4.340 0.235 0.000 0.291 225 R C -0.864 175.435 176.300 -0.001 0.000 1.046 225 R CA -0.620 55.452 56.100 -0.045 0.000 0.914 225 R CB 2.025 32.297 30.300 -0.048 0.000 1.191 225 R HN -0.027 nan 8.270 nan 0.000 0.435 226 Q N 2.963 122.766 119.800 0.005 0.000 2.377 226 Q HA 0.305 4.786 4.340 0.235 0.000 0.271 226 Q C -1.781 174.316 176.000 0.162 0.000 1.077 226 Q CA -2.004 53.853 55.803 0.090 0.000 0.820 226 Q CB 2.361 31.166 28.738 0.113 0.000 1.347 226 Q HN 0.355 nan 8.270 nan 0.000 0.444 227 P HA -0.105 nan 4.420 nan 0.000 0.226 227 P C -0.189 177.335 177.300 0.375 0.000 1.153 227 P CA 0.986 64.282 63.100 0.327 0.000 0.777 227 P CB 0.744 32.663 31.700 0.365 0.000 0.794 228 E N 0.277 120.618 120.200 0.236 0.000 2.218 228 E HA 0.450 4.941 4.350 0.235 0.000 0.263 228 E C -1.067 175.591 176.600 0.097 0.000 0.879 228 E CA -0.928 55.463 56.400 -0.014 0.000 0.762 228 E CB 1.057 30.712 29.700 -0.075 0.000 1.166 228 E HN 0.004 nan 8.360 nan 0.000 0.415 229 F N 0.120 119.940 119.950 -0.217 0.000 2.692 229 F HA 0.697 5.320 4.527 0.160 0.000 0.320 229 F C -1.037 174.685 175.800 -0.129 0.000 1.123 229 F CA -1.013 56.918 58.000 -0.116 0.000 0.961 229 F CB 1.717 40.694 39.000 -0.038 0.000 1.383 229 F HN 0.064 nan 8.300 nan 0.000 0.483 230 T N 1.231 115.809 114.554 0.039 0.000 2.792 230 T HA 0.420 4.911 4.350 0.235 0.000 0.280 230 T C -0.960 173.790 174.700 0.083 0.000 0.990 230 T CA -0.638 61.427 62.100 -0.057 0.000 0.960 230 T CB 1.519 70.380 68.868 -0.011 0.000 0.939 230 T HN 0.562 nan 8.240 nan 0.000 0.439 231 Q N 1.920 121.728 119.800 0.014 0.000 2.306 231 Q HA 0.551 5.032 4.340 0.235 0.000 0.265 231 Q C -0.561 175.523 176.000 0.140 0.000 1.022 231 Q CA -0.833 55.054 55.803 0.140 0.000 0.853 231 Q CB 2.392 31.210 28.738 0.134 0.000 1.327 231 Q HN 0.601 nan 8.270 nan 0.000 0.449 232 I N 2.143 122.845 120.570 0.221 0.000 2.282 232 I HA 0.115 4.426 4.170 0.235 0.000 0.290 232 I C -0.420 175.843 176.117 0.243 0.000 1.090 232 I CA -0.432 61.007 61.300 0.230 0.000 1.231 232 I CB 0.472 38.646 38.000 0.291 0.000 1.434 232 I HN 0.441 nan 8.210 nan 0.000 0.487 233 D N 5.731 126.234 120.400 0.172 0.000 2.264 233 D HA 0.408 5.188 4.640 0.235 0.000 0.250 233 D C -0.827 175.553 176.300 0.133 0.000 1.113 233 D CA 0.045 54.157 54.000 0.186 0.000 0.871 233 D CB 1.833 42.779 40.800 0.242 0.000 1.167 233 D HN 0.224 nan 8.370 nan 0.000 0.447 234 V N 2.248 122.290 119.914 0.213 0.000 2.971 234 V HA 0.792 5.053 4.120 0.235 0.000 0.309 234 V C -1.576 174.772 176.094 0.423 0.000 1.130 234 V CA -0.560 61.878 62.300 0.230 0.000 0.964 234 V CB 2.183 34.042 31.823 0.061 0.000 1.029 234 V HN 0.575 nan 8.190 nan 0.000 0.427 235 E N 2.291 122.846 120.200 0.591 0.000 2.366 235 E HA 0.799 5.290 4.350 0.235 0.000 0.278 235 E C -0.903 176.009 176.600 0.520 0.000 0.923 235 E CA 0.042 56.762 56.400 0.533 0.000 0.761 235 E CB 2.490 32.507 29.700 0.527 0.000 1.231 235 E HN 1.229 nan 8.360 nan 0.000 0.443 236 T N -0.668 114.117 114.554 0.385 0.000 2.883 236 T HA 0.822 5.313 4.350 0.235 0.000 0.296 236 T C -0.618 174.209 174.700 0.212 0.000 1.117 236 T CA -0.819 61.456 62.100 0.291 0.000 1.006 236 T CB 1.575 70.607 68.868 0.273 0.000 1.191 236 T HN 0.177 nan 8.240 nan 0.000 0.508 237 S N 0.067 115.855 115.700 0.147 0.000 2.532 237 S HA 0.656 5.266 4.470 0.235 0.000 0.301 237 S C -0.807 173.862 174.600 0.116 0.000 1.083 237 S CA -0.766 57.438 58.200 0.007 0.000 1.025 237 S CB 0.180 63.348 63.200 -0.053 0.000 1.056 237 S HN 0.839 nan 8.310 nan 0.000 0.494 238 F N -0.011 120.006 119.950 0.112 0.000 3.027 238 F HA -0.206 4.462 4.527 0.237 0.000 0.276 238 F C 0.075 175.916 175.800 0.068 0.000 0.967 238 F CA 0.417 58.464 58.000 0.079 0.000 0.929 238 F CB -1.547 37.479 39.000 0.043 0.000 0.873 238 F HN 0.398 nan 8.300 nan 0.000 0.787 239 M N -0.333 119.370 119.600 0.171 0.000 2.446 239 M HA 0.408 5.029 4.480 0.235 0.000 0.294 239 M C 0.241 176.588 176.300 0.078 0.000 1.158 239 M CA -0.613 54.761 55.300 0.123 0.000 0.899 239 M CB 2.703 35.378 32.600 0.125 0.000 1.687 239 M HN 0.135 nan 8.290 nan 0.000 0.455 240 T N -0.891 113.685 114.554 0.037 0.000 2.881 240 T HA 0.590 5.081 4.350 0.235 0.000 0.278 240 T C 1.163 175.818 174.700 -0.074 0.000 0.982 240 T CA -0.232 61.865 62.100 -0.004 0.000 0.989 240 T CB 1.417 70.275 68.868 -0.017 0.000 1.058 240 T HN 0.728 nan 8.240 nan 0.000 0.529 241 A N 1.380 124.133 122.820 -0.112 0.000 1.903 241 A HA -0.006 4.455 4.320 0.235 0.000 0.219 241 A C -0.182 177.127 177.584 -0.459 0.000 1.191 241 A CA 1.663 53.514 52.037 -0.310 0.000 0.638 241 A CB -2.155 16.709 19.000 -0.226 0.000 0.823 241 A HN 0.752 nan 8.150 nan 0.000 0.451 242 P HA -0.189 nan 4.420 nan 0.000 0.215 242 P C 1.533 178.684 177.300 -0.249 0.000 1.157 242 P CA 1.672 64.594 63.100 -0.297 0.000 0.874 242 P CB -0.136 31.461 31.700 -0.173 0.000 0.790 243 Q N -0.839 118.873 119.800 -0.148 0.000 2.084 243 Q HA -0.115 4.366 4.340 0.235 0.000 0.202 243 Q C 2.120 178.081 176.000 -0.065 0.000 0.978 243 Q CA 1.297 57.059 55.803 -0.068 0.000 0.844 243 Q CB -0.803 27.932 28.738 -0.004 0.000 0.898 243 Q HN 0.106 nan 8.270 nan 0.000 0.426 244 V N 0.885 120.728 119.914 -0.118 0.000 2.295 244 V HA -0.286 3.975 4.120 0.235 0.000 0.246 244 V C 2.189 178.175 176.094 -0.179 0.000 1.049 244 V CA 1.896 64.147 62.300 -0.082 0.000 1.024 244 V CB -0.485 31.274 31.823 -0.107 0.000 0.648 244 V HN 0.299 nan 8.190 nan 0.000 0.447 245 R N -0.395 119.805 120.500 -0.501 0.000 2.081 245 R HA -0.200 4.281 4.340 0.235 0.000 0.235 245 R C 2.407 178.575 176.300 -0.221 0.000 1.131 245 R CA 1.732 57.412 56.100 -0.700 0.000 0.960 245 R CB -0.327 29.172 30.300 -1.335 0.000 0.856 245 R HN 0.612 nan 8.270 nan 0.000 0.436 246 E N 0.304 120.395 120.200 -0.181 0.000 2.058 246 E HA -0.195 4.296 4.350 0.235 0.000 0.194 246 E C 1.920 178.538 176.600 0.031 0.000 0.997 246 E CA 1.478 57.842 56.400 -0.060 0.000 0.801 246 E CB 0.036 29.710 29.700 -0.043 0.000 0.746 246 E HN 0.160 nan 8.360 nan 0.000 0.450 247 V N 0.460 120.422 119.914 0.080 0.000 2.591 247 V HA -0.175 4.086 4.120 0.235 0.000 0.249 247 V C 2.034 178.213 176.094 0.142 0.000 1.053 247 V CA 1.089 63.479 62.300 0.150 0.000 1.068 247 V CB -0.096 31.862 31.823 0.225 0.000 0.689 247 V HN 0.311 nan 8.190 nan 0.000 0.462 248 M N -0.193 119.514 119.600 0.178 0.000 2.156 248 M HA -0.079 4.542 4.480 0.235 0.000 0.264 248 M C 2.121 178.572 176.300 0.252 0.000 1.067 248 M CA 2.003 57.492 55.300 0.315 0.000 1.131 248 M CB -1.280 31.594 32.600 0.456 0.000 1.368 248 M HN 0.576 nan 8.290 nan 0.000 0.416 249 E N 0.205 120.517 120.200 0.187 0.000 2.204 249 E HA -0.096 4.394 4.350 0.235 0.000 0.194 249 E C 1.836 178.263 176.600 -0.287 0.000 0.989 249 E CA 1.088 57.363 56.400 -0.207 0.000 0.824 249 E CB 0.164 29.690 29.700 -0.290 0.000 0.756 249 E HN 0.413 nan 8.360 nan 0.000 0.477 250 A N 0.780 123.527 122.820 -0.122 0.000 1.970 250 A HA -0.062 4.399 4.320 0.235 0.000 0.216 250 A C 2.040 179.411 177.584 -0.356 0.000 1.170 250 A CA 0.802 52.784 52.037 -0.092 0.000 0.645 250 A CB -0.439 18.640 19.000 0.131 0.000 0.816 250 A HN 0.380 nan 8.150 nan 0.000 0.447 251 L N 0.045 120.893 121.223 -0.625 0.000 1.994 251 L HA -0.096 4.385 4.340 0.235 0.000 0.208 251 L C 2.338 178.878 176.870 -0.550 0.000 1.071 251 L CA 2.071 56.221 54.840 -1.151 0.000 0.745 251 L CB -0.731 40.845 42.059 -0.805 0.000 0.892 251 L HN 0.130 nan 8.230 nan 0.000 0.431 252 V N 0.134 119.838 119.914 -0.349 0.000 2.295 252 V HA -0.271 3.990 4.120 0.235 0.000 0.246 252 V C 2.828 178.903 176.094 -0.030 0.000 1.049 252 V CA 2.016 64.215 62.300 -0.169 0.000 1.024 252 V CB -0.749 31.010 31.823 -0.106 0.000 0.648 252 V HN 0.468 nan 8.190 nan 0.000 0.447 253 R N -0.943 119.515 120.500 -0.070 0.000 2.159 253 R HA -0.211 4.270 4.340 0.235 0.000 0.237 253 R C 2.293 178.619 176.300 0.044 0.000 1.131 253 R CA 1.860 57.967 56.100 0.012 0.000 0.982 253 R CB -0.376 29.917 30.300 -0.012 0.000 0.868 253 R HN 0.710 nan 8.270 nan 0.000 0.453 254 H N 0.351 119.342 119.070 -0.132 0.000 2.372 254 H HA 0.043 4.737 4.556 0.230 0.000 0.301 254 H C 1.975 177.242 175.328 -0.102 0.000 1.065 254 H CA 1.237 57.214 56.048 -0.120 0.000 1.364 254 H CB -0.145 29.472 29.762 -0.242 0.000 1.406 254 H HN 0.039 nan 8.280 nan 0.000 0.521 255 L N -0.881 120.217 121.223 -0.208 0.000 2.017 255 L HA -0.220 4.261 4.340 0.235 0.000 0.208 255 L C 2.342 179.072 176.870 -0.233 0.000 1.073 255 L CA 1.217 55.899 54.840 -0.262 0.000 0.745 255 L CB -0.564 41.388 42.059 -0.179 0.000 0.894 255 L HN 0.502 nan 8.230 nan 0.000 0.432 256 W N -0.181 120.913 121.300 -0.343 0.000 2.402 256 W HA -0.200 4.591 4.660 0.218 0.000 0.286 256 W C 2.370 178.718 176.519 -0.284 0.000 1.221 256 W CA 0.665 57.786 57.345 -0.373 0.000 1.257 256 W CB -0.008 29.176 29.460 -0.460 0.000 1.120 256 W HN 0.209 nan 8.180 nan 0.000 0.551 257 L N 0.951 122.156 121.223 -0.031 0.000 2.093 257 L HA -0.151 4.330 4.340 0.235 0.000 0.208 257 L C 2.164 178.961 176.870 -0.122 0.000 1.085 257 L CA 1.956 56.765 54.840 -0.051 0.000 0.755 257 L CB -0.709 41.344 42.059 -0.009 0.000 0.904 257 L HN -0.240 nan 8.230 nan 0.000 0.435 258 E N -1.134 118.926 120.200 -0.233 0.000 2.299 258 E HA 0.010 4.501 4.350 0.235 0.000 0.193 258 E C 2.088 178.558 176.600 -0.217 0.000 0.998 258 E CA 0.839 57.099 56.400 -0.234 0.000 0.851 258 E CB 0.209 29.698 29.700 -0.353 0.000 0.795 258 E HN 0.402 nan 8.360 nan 0.000 0.492 259 V N 0.675 120.423 119.914 -0.277 0.000 3.263 259 V HA 0.042 4.303 4.120 0.235 0.000 0.248 259 V C 1.446 177.380 176.094 -0.267 0.000 1.145 259 V CA 0.786 62.910 62.300 -0.294 0.000 1.107 259 V CB 0.204 31.778 31.823 -0.414 0.000 0.797 259 V HN 0.031 nan 8.190 nan 0.000 0.467 260 K N -0.263 119.977 120.400 -0.267 0.000 2.477 260 K HA 0.349 4.810 4.320 0.235 0.000 0.208 260 K C 1.370 177.937 176.600 -0.056 0.000 1.117 260 K CA 0.683 56.871 56.287 -0.164 0.000 1.039 260 K CB 1.042 33.404 32.500 -0.230 0.000 0.937 260 K HN 0.382 nan 8.250 nan 0.000 0.570 261 G N 2.159 110.920 108.800 -0.065 0.000 2.168 261 G HA2 -0.257 3.844 3.960 0.235 0.000 0.257 261 G HA3 -0.257 3.844 3.960 0.235 0.000 0.257 261 G C 0.084 175.000 174.900 0.027 0.000 0.997 261 G CA 0.713 45.804 45.100 -0.015 0.000 0.708 261 G HN 0.254 nan 8.290 nan 0.000 0.520 262 V N -0.256 119.679 119.914 0.035 0.000 2.472 262 V HA 0.656 4.917 4.120 0.235 0.000 0.290 262 V C -0.436 175.693 176.094 0.059 0.000 1.037 262 V CA -0.789 61.560 62.300 0.082 0.000 0.908 262 V CB 1.892 33.802 31.823 0.146 0.000 0.985 262 V HN 0.202 nan 8.190 nan 0.000 0.454 263 D N 5.585 126.022 120.400 0.062 0.000 2.479 263 D HA 0.225 5.006 4.640 0.235 0.000 0.218 263 D C 1.227 177.551 176.300 0.040 0.000 1.131 263 D CA -0.178 53.854 54.000 0.052 0.000 0.916 263 D CB 1.132 41.967 40.800 0.058 0.000 1.022 263 D HN 0.688 nan 8.370 nan 0.000 0.515 264 L N 2.866 124.085 121.223 -0.006 0.000 2.351 264 L HA -0.070 4.411 4.340 0.235 0.000 0.220 264 L C 1.588 178.489 176.870 0.052 0.000 1.127 264 L CA 0.831 55.637 54.840 -0.057 0.000 0.786 264 L CB -0.927 41.032 42.059 -0.166 0.000 0.914 264 L HN 0.601 nan 8.230 nan 0.000 0.443 265 G N 0.095 108.956 108.800 0.102 0.000 2.804 265 G HA2 -0.234 3.867 3.960 0.235 0.000 0.230 265 G HA3 -0.234 3.867 3.960 0.235 0.000 0.230 265 G C -0.661 174.371 174.900 0.219 0.000 1.386 265 G CA -0.478 44.695 45.100 0.121 0.000 0.875 265 G HN 0.230 nan 8.290 nan 0.000 0.557 266 D N 0.207 120.717 120.400 0.182 0.000 2.425 266 D HA 0.357 5.138 4.640 0.235 0.000 0.247 266 D C 0.741 177.264 176.300 0.372 0.000 1.147 266 D CA 0.478 54.615 54.000 0.227 0.000 0.879 266 D CB 0.151 41.033 40.800 0.137 0.000 1.179 266 D HN 0.341 nan 8.370 nan 0.000 0.456 267 F N 2.393 122.387 119.950 0.075 0.000 2.456 267 F HA 0.191 4.853 4.527 0.226 0.000 0.358 267 F C -1.395 174.484 175.800 0.132 0.000 1.095 267 F CA -1.964 56.084 58.000 0.080 0.000 1.216 267 F CB 0.566 39.633 39.000 0.111 0.000 1.125 267 F HN 0.012 nan 8.300 nan 0.000 0.549 268 P HA 0.140 nan 4.420 nan 0.000 0.274 268 P C -1.092 176.348 177.300 0.233 0.000 1.231 268 P CA -0.247 62.952 63.100 0.165 0.000 0.790 268 P CB 1.071 32.814 31.700 0.072 0.000 0.951 269 V N 3.570 123.600 119.914 0.194 0.000 2.448 269 V HA 0.523 4.784 4.120 0.235 0.000 0.295 269 V C -0.151 176.024 176.094 0.135 0.000 1.025 269 V CA -0.325 62.101 62.300 0.210 0.000 0.859 269 V CB 1.320 33.234 31.823 0.152 0.000 0.988 269 V HN 0.570 nan 8.190 nan 0.000 0.431 270 M N 4.076 123.757 119.600 0.135 0.000 2.457 270 M HA 0.558 5.179 4.480 0.235 0.000 0.300 270 M C 0.061 176.399 176.300 0.063 0.000 1.141 270 M CA -0.355 54.995 55.300 0.083 0.000 0.901 270 M CB 2.571 35.212 32.600 0.067 0.000 1.687 270 M HN 0.832 nan 8.290 nan 0.000 0.449 271 T N 0.420 114.993 114.554 0.032 0.000 2.882 271 T HA 0.207 4.698 4.350 0.235 0.000 0.287 271 T C 0.755 175.436 174.700 -0.031 0.000 1.014 271 T CA -0.560 61.545 62.100 0.009 0.000 1.049 271 T CB 0.658 69.537 68.868 0.018 0.000 1.001 271 T HN 0.629 nan 8.240 nan 0.000 0.525 272 F N 1.873 121.635 119.950 -0.312 0.000 2.115 272 F HA -0.121 4.546 4.527 0.233 0.000 0.300 272 F C 2.452 178.133 175.800 -0.198 0.000 1.092 272 F CA 1.995 59.738 58.000 -0.429 0.000 1.245 272 F CB -0.991 37.656 39.000 -0.588 0.000 0.995 272 F HN 0.756 nan 8.300 nan 0.000 0.481 273 A N -0.221 122.568 122.820 -0.053 0.000 1.877 273 A HA -0.231 4.230 4.320 0.235 0.000 0.216 273 A C 2.272 179.780 177.584 -0.127 0.000 1.186 273 A CA 1.695 53.662 52.037 -0.116 0.000 0.620 273 A CB -1.098 17.903 19.000 0.001 0.000 0.822 273 A HN 0.566 nan 8.150 nan 0.000 0.443 274 E N -0.250 119.912 120.200 -0.064 0.000 2.153 274 E HA -0.132 4.359 4.350 0.235 0.000 0.194 274 E C 2.118 178.708 176.600 -0.017 0.000 0.988 274 E CA 0.882 57.262 56.400 -0.034 0.000 0.811 274 E CB -0.199 29.505 29.700 0.007 0.000 0.746 274 E HN 0.569 nan 8.360 nan 0.000 0.466 275 A N 1.566 124.360 122.820 -0.043 0.000 1.825 275 A HA -0.185 4.275 4.320 0.235 0.000 0.214 275 A C 1.977 179.532 177.584 -0.048 0.000 1.206 275 A CA 1.386 53.429 52.037 0.010 0.000 0.609 275 A CB -0.564 18.378 19.000 -0.097 0.000 0.851 275 A HN 0.185 nan 8.150 nan 0.000 0.445 276 E N -0.384 119.659 120.200 -0.262 0.000 2.187 276 E HA -0.248 4.243 4.350 0.235 0.000 0.199 276 E C 2.073 178.574 176.600 -0.164 0.000 1.004 276 E CA 1.452 57.692 56.400 -0.266 0.000 0.813 276 E CB -0.356 29.080 29.700 -0.440 0.000 0.736 276 E HN 0.662 nan 8.360 nan 0.000 0.468 277 R N 0.732 121.143 120.500 -0.148 0.000 2.055 277 R HA -0.027 4.454 4.340 0.235 0.000 0.228 277 R C 2.281 178.475 176.300 -0.178 0.000 1.143 277 R CA 1.174 57.193 56.100 -0.136 0.000 0.945 277 R CB 0.081 30.314 30.300 -0.112 0.000 0.841 277 R HN 0.014 nan 8.270 nan 0.000 0.429 278 R N -1.291 119.074 120.500 -0.225 0.000 2.240 278 R HA -0.038 4.443 4.340 0.235 0.000 0.203 278 R C 0.570 176.390 176.300 -0.800 0.000 1.011 278 R CA 0.959 56.733 56.100 -0.544 0.000 1.007 278 R CB 0.363 30.218 30.300 -0.740 0.000 0.911 278 R HN 0.399 nan 8.270 nan 0.000 0.468 279 Y N -1.692 118.541 120.300 -0.110 0.000 2.729 279 Y HA 0.292 4.985 4.550 0.238 0.000 0.266 279 Y C 1.085 176.911 175.900 -0.124 0.000 1.064 279 Y CA -0.154 57.880 58.100 -0.109 0.000 1.251 279 Y CB 0.632 39.034 38.460 -0.097 0.000 1.379 279 Y HN 0.094 nan 8.280 nan 0.000 0.569 280 G N 1.568 110.359 108.800 -0.015 0.000 2.341 280 G HA2 -0.193 3.908 3.960 0.235 0.000 0.292 280 G HA3 -0.193 3.908 3.960 0.235 0.000 0.292 280 G C 0.016 174.879 174.900 -0.062 0.000 1.021 280 G CA 1.005 46.062 45.100 -0.072 0.000 0.905 280 G HN 0.450 nan 8.290 nan 0.000 0.508 281 S N -0.931 114.740 115.700 -0.048 0.000 2.535 281 S HA 0.501 5.112 4.470 0.235 0.000 0.272 281 S C 0.135 174.704 174.600 -0.052 0.000 1.149 281 S CA 0.241 58.416 58.200 -0.043 0.000 0.888 281 S CB 1.257 64.439 63.200 -0.030 0.000 1.110 281 S HN 0.468 nan 8.310 nan 0.000 0.463 282 D N 2.406 122.816 120.400 0.016 0.000 2.336 282 D HA 0.187 4.968 4.640 0.235 0.000 0.228 282 D C 0.045 176.432 176.300 0.144 0.000 1.120 282 D CA -0.051 54.012 54.000 0.105 0.000 0.839 282 D CB -0.074 40.967 40.800 0.402 0.000 0.932 282 D HN 0.509 nan 8.370 nan 0.000 0.509 283 K N 1.175 121.601 120.400 0.044 0.000 3.278 283 K HA 0.208 4.669 4.320 0.235 0.000 0.200 283 K C -2.702 173.847 176.600 -0.084 0.000 1.107 283 K CA -1.337 54.957 56.287 0.011 0.000 0.923 283 K CB 1.465 33.973 32.500 0.014 0.000 0.787 283 K HN 0.081 nan 8.250 nan 0.000 0.481 284 P HA -0.120 nan 4.420 nan 0.000 0.261 284 P C -0.697 176.413 177.300 -0.318 0.000 1.183 284 P CA 0.390 63.283 63.100 -0.346 0.000 0.761 284 P CB 0.631 31.936 31.700 -0.657 0.000 0.785 285 D N 3.855 124.096 120.400 -0.265 0.000 2.441 285 D HA 0.088 4.869 4.640 0.235 0.000 0.221 285 D C 0.842 177.016 176.300 -0.209 0.000 1.156 285 D CA -0.471 53.419 54.000 -0.183 0.000 0.896 285 D CB 0.137 40.866 40.800 -0.119 0.000 1.028 285 D HN 0.022 nan 8.370 nan 0.000 0.509 286 L N 3.544 124.630 121.223 -0.228 0.000 2.622 286 L HA 0.084 4.564 4.340 0.235 0.000 0.233 286 L C 2.192 179.010 176.870 -0.087 0.000 1.156 286 L CA 0.665 55.398 54.840 -0.179 0.000 0.866 286 L CB -0.453 41.499 42.059 -0.178 0.000 0.980 286 L HN 0.307 nan 8.230 nan 0.000 0.448 287 R N -0.879 119.569 120.500 -0.086 0.000 2.236 287 R HA 0.007 4.488 4.340 0.235 0.000 0.208 287 R C 0.679 176.950 176.300 -0.048 0.000 1.036 287 R CA 0.050 56.107 56.100 -0.071 0.000 1.001 287 R CB -0.099 30.146 30.300 -0.091 0.000 0.896 287 R HN 0.231 nan 8.270 nan 0.000 0.464 288 N N 1.696 120.375 118.700 -0.035 0.000 2.420 288 N HA 0.051 4.932 4.740 0.235 0.000 0.249 288 N C -1.764 173.765 175.510 0.032 0.000 1.033 288 N CA -1.919 51.126 53.050 -0.010 0.000 0.944 288 N CB 1.454 39.936 38.487 -0.008 0.000 1.113 288 N HN -0.070 nan 8.380 nan 0.000 0.502 289 P HA -0.087 nan 4.420 nan 0.000 0.228 289 P C 0.457 177.769 177.300 0.020 0.000 1.151 289 P CA 0.814 63.928 63.100 0.023 0.000 0.770 289 P CB 0.429 32.129 31.700 0.000 0.000 0.786 290 M N 0.435 120.043 119.600 0.014 0.000 2.227 290 M HA 0.235 4.856 4.480 0.235 0.000 0.316 290 M C 0.686 176.960 176.300 -0.043 0.000 1.144 290 M CA 0.390 55.676 55.300 -0.022 0.000 1.121 290 M CB 0.656 33.236 32.600 -0.034 0.000 1.440 290 M HN -0.056 nan 8.290 nan 0.000 0.473 291 E N 0.562 120.678 120.200 -0.139 0.000 2.388 291 E HA 0.394 4.885 4.350 0.235 0.000 0.281 291 E C -1.826 174.621 176.600 -0.254 0.000 1.046 291 E CA -0.888 55.333 56.400 -0.298 0.000 0.825 291 E CB 0.881 30.244 29.700 -0.560 0.000 1.243 291 E HN 0.558 nan 8.360 nan 0.000 0.438 292 L N 1.479 122.537 121.223 -0.275 0.000 2.416 292 L HA 0.341 4.822 4.340 0.235 0.000 0.272 292 L C -0.113 176.632 176.870 -0.208 0.000 1.161 292 L CA -0.080 54.633 54.840 -0.212 0.000 0.845 292 L CB 0.792 42.741 42.059 -0.183 0.000 1.119 292 L HN 0.583 nan 8.230 nan 0.000 0.464 293 T N 1.573 116.018 114.554 -0.183 0.000 2.786 293 T HA 0.243 4.734 4.350 0.235 0.000 0.283 293 T C -0.579 174.039 174.700 -0.137 0.000 0.992 293 T CA -0.647 61.360 62.100 -0.154 0.000 0.954 293 T CB 1.144 69.928 68.868 -0.141 0.000 0.934 293 T HN 0.473 nan 8.240 nan 0.000 0.440 294 D N 1.491 121.826 120.400 -0.109 0.000 2.345 294 D HA 0.338 5.119 4.640 0.235 0.000 0.247 294 D C 0.956 177.218 176.300 -0.063 0.000 1.108 294 D CA -0.018 53.930 54.000 -0.086 0.000 0.894 294 D CB 0.994 41.751 40.800 -0.071 0.000 1.203 294 D HN 0.378 nan 8.370 nan 0.000 0.430 295 V N -0.803 119.082 119.914 -0.049 0.000 3.265 295 V HA 0.451 4.712 4.120 0.235 0.000 0.346 295 V C 1.233 177.320 176.094 -0.012 0.000 1.447 295 V CA 0.063 62.354 62.300 -0.015 0.000 1.179 295 V CB 0.124 31.963 31.823 0.027 0.000 1.103 295 V HN 0.517 nan 8.190 nan 0.000 0.530 296 A N 2.448 125.253 122.820 -0.026 0.000 1.865 296 A HA -0.208 4.253 4.320 0.235 0.000 0.217 296 A C 2.051 179.638 177.584 0.004 0.000 1.191 296 A CA 2.351 54.377 52.037 -0.018 0.000 0.623 296 A CB -0.699 18.289 19.000 -0.020 0.000 0.826 296 A HN 0.791 nan 8.150 nan 0.000 0.444 297 D N 0.185 120.587 120.400 0.002 0.000 2.133 297 D HA -0.222 4.559 4.640 0.235 0.000 0.192 297 D C 1.595 177.908 176.300 0.023 0.000 1.001 297 D CA 1.614 55.621 54.000 0.010 0.000 0.844 297 D CB -0.779 40.024 40.800 0.005 0.000 0.944 297 D HN 0.291 nan 8.370 nan 0.000 0.447 298 L N -0.281 120.958 121.223 0.027 0.000 2.265 298 L HA 0.010 4.491 4.340 0.235 0.000 0.215 298 L C 2.013 178.921 176.870 0.064 0.000 1.117 298 L CA 1.093 55.958 54.840 0.042 0.000 0.782 298 L CB -0.401 41.687 42.059 0.047 0.000 0.914 298 L HN 0.142 nan 8.230 nan 0.000 0.441 299 L N -2.124 119.139 121.223 0.067 0.000 2.965 299 L HA 0.134 4.615 4.340 0.235 0.000 0.254 299 L C 1.648 178.578 176.870 0.101 0.000 1.220 299 L CA -0.115 54.792 54.840 0.112 0.000 1.023 299 L CB -0.143 41.997 42.059 0.135 0.000 1.355 299 L HN 0.035 nan 8.230 nan 0.000 0.545 300 K N 0.505 120.945 120.400 0.065 0.000 2.155 300 K HA -0.056 4.405 4.320 0.235 0.000 0.203 300 K C 2.158 178.791 176.600 0.056 0.000 1.052 300 K CA 1.523 57.841 56.287 0.052 0.000 0.948 300 K CB 0.100 32.620 32.500 0.033 0.000 0.728 300 K HN 0.347 nan 8.250 nan 0.000 0.448 301 S N 0.145 115.881 115.700 0.060 0.000 2.528 301 S HA 0.048 4.659 4.470 0.235 0.000 0.219 301 S C 0.847 175.492 174.600 0.074 0.000 0.985 301 S CA -0.434 57.800 58.200 0.056 0.000 0.914 301 S CB 0.027 63.254 63.200 0.046 0.000 0.776 301 S HN -0.044 nan 8.310 nan 0.000 0.526 302 V N 2.820 122.796 119.914 0.104 0.000 2.599 302 V HA 0.059 4.319 4.120 0.235 0.000 0.300 302 V C 0.590 176.768 176.094 0.140 0.000 1.034 302 V CA 0.266 62.650 62.300 0.141 0.000 1.115 302 V CB 0.642 32.590 31.823 0.208 0.000 0.934 302 V HN 0.511 nan 8.190 nan 0.000 0.485 303 E N 5.491 125.781 120.200 0.150 0.000 2.424 303 E HA 0.108 4.599 4.350 0.235 0.000 0.237 303 E C -0.869 175.847 176.600 0.194 0.000 1.381 303 E CA -0.035 56.450 56.400 0.141 0.000 1.587 303 E CB 0.064 29.840 29.700 0.127 0.000 1.398 303 E HN 0.473 nan 8.360 nan 0.000 0.439 304 F N 0.144 120.044 119.950 -0.085 0.000 2.513 304 F HA 0.433 5.101 4.527 0.235 0.000 0.358 304 F C 0.806 176.462 175.800 -0.239 0.000 1.118 304 F CA -1.245 56.555 58.000 -0.333 0.000 1.037 304 F CB 0.442 39.125 39.000 -0.528 0.000 1.276 304 F HN 0.018 nan 8.300 nan 0.000 0.446 305 A N 4.468 127.018 122.820 -0.450 0.000 1.884 305 A HA -0.179 4.282 4.320 0.235 0.000 0.219 305 A C 2.095 179.360 177.584 -0.530 0.000 1.197 305 A CA 2.512 54.316 52.037 -0.388 0.000 0.637 305 A CB -1.093 17.730 19.000 -0.295 0.000 0.827 305 A HN 0.638 nan 8.150 nan 0.000 0.450 306 V N -1.314 117.987 119.914 -1.022 0.000 2.363 306 V HA -0.346 3.915 4.120 0.235 0.000 0.254 306 V C 2.262 178.236 176.094 -0.201 0.000 1.074 306 V CA 2.475 64.297 62.300 -0.796 0.000 1.069 306 V CB -0.812 30.197 31.823 -1.357 0.000 0.659 306 V HN 0.664 nan 8.190 nan 0.000 0.455 307 F N -1.280 118.373 119.950 -0.496 0.000 2.453 307 F HA 0.166 4.834 4.527 0.235 0.000 0.284 307 F C 2.438 178.183 175.800 -0.093 0.000 1.065 307 F CA 0.402 58.318 58.000 -0.140 0.000 1.411 307 F CB -0.268 38.758 39.000 0.042 0.000 1.131 307 F HN 0.118 nan 8.300 nan 0.000 0.582 308 A N 0.848 123.721 122.820 0.089 0.000 1.933 308 A HA -0.074 4.387 4.320 0.235 0.000 0.218 308 A C 2.338 179.925 177.584 0.005 0.000 1.175 308 A CA 1.834 53.898 52.037 0.046 0.000 0.628 308 A CB -1.475 17.539 19.000 0.023 0.000 0.814 308 A HN 0.389 nan 8.150 nan 0.000 0.444 309 G N 0.211 108.990 108.800 -0.034 0.000 2.484 309 G HA2 -0.145 3.956 3.960 0.235 0.000 0.215 309 G HA3 -0.145 3.956 3.960 0.235 0.000 0.215 309 G C -0.275 174.617 174.900 -0.013 0.000 1.219 309 G CA 1.309 46.389 45.100 -0.034 0.000 0.791 309 G HN 0.506 nan 8.290 nan 0.000 0.550 310 P HA 0.065 nan 4.420 nan 0.000 0.221 310 P C 2.010 179.311 177.300 0.001 0.000 1.150 310 P CA 1.628 64.727 63.100 -0.000 0.000 0.800 310 P CB -0.028 31.676 31.700 0.007 0.000 0.787 311 A N -0.354 122.473 122.820 0.011 0.000 1.968 311 A HA -0.119 4.342 4.320 0.235 0.000 0.217 311 A C 1.872 179.462 177.584 0.010 0.000 1.169 311 A CA 1.391 53.435 52.037 0.011 0.000 0.638 311 A CB -0.949 18.070 19.000 0.032 0.000 0.812 311 A HN 0.134 nan 8.150 nan 0.000 0.446 312 N N 0.315 119.021 118.700 0.010 0.000 2.268 312 N HA 0.029 4.910 4.740 0.235 0.000 0.204 312 N C -0.765 174.747 175.510 0.002 0.000 1.124 312 N CA 0.121 53.175 53.050 0.007 0.000 0.838 312 N CB 0.403 38.896 38.487 0.009 0.000 0.994 312 N HN 0.432 nan 8.380 nan 0.000 0.489 313 D N 1.109 121.509 120.400 0.000 0.000 2.256 313 D HA 0.185 4.966 4.640 0.235 0.000 0.240 313 D C -1.465 174.835 176.300 -0.000 0.000 1.062 313 D CA -1.935 52.065 54.000 -0.001 0.000 0.832 313 D CB 2.605 43.403 40.800 -0.003 0.000 1.135 313 D HN -0.042 nan 8.370 nan 0.000 0.484 314 P HA -0.127 nan 4.420 nan 0.000 0.216 314 P C 0.658 177.960 177.300 0.003 0.000 1.150 314 P CA 1.024 64.126 63.100 0.003 0.000 0.837 314 P CB 0.544 32.247 31.700 0.004 0.000 0.786 315 K N -0.298 120.105 120.400 0.004 0.000 2.432 315 K HA 0.138 4.599 4.320 0.235 0.000 0.196 315 K C 1.510 178.111 176.600 0.002 0.000 1.038 315 K CA 0.241 56.532 56.287 0.006 0.000 0.986 315 K CB -0.138 32.366 32.500 0.008 0.000 0.782 315 K HN 0.159 nan 8.250 nan 0.000 0.485 316 G N 0.921 109.720 108.800 -0.001 0.000 2.522 316 G HA2 0.443 4.544 3.960 0.235 0.000 0.304 316 G HA3 0.443 4.544 3.960 0.235 0.000 0.304 316 G C -0.997 173.897 174.900 -0.010 0.000 1.210 316 G CA -0.488 44.610 45.100 -0.004 0.000 0.960 316 G HN 0.097 nan 8.290 nan 0.000 0.497 317 R N -1.370 119.122 120.500 -0.014 0.000 2.629 317 R HA 0.501 4.982 4.340 0.235 0.000 0.266 317 R C -2.120 174.161 176.300 -0.031 0.000 1.051 317 R CA -0.543 55.542 56.100 -0.025 0.000 0.895 317 R CB 2.243 32.524 30.300 -0.032 0.000 1.246 317 R HN 0.404 nan 8.270 nan 0.000 0.459 318 V N 2.494 122.379 119.914 -0.048 0.000 2.419 318 V HA 0.640 4.901 4.120 0.235 0.000 0.287 318 V C -0.671 175.378 176.094 -0.075 0.000 1.017 318 V CA -0.667 61.589 62.300 -0.072 0.000 0.844 318 V CB 1.315 33.064 31.823 -0.124 0.000 1.011 318 V HN 0.846 nan 8.190 nan 0.000 0.429 319 A N 3.871 126.646 122.820 -0.075 0.000 2.331 319 A HA 0.946 5.406 4.320 0.235 0.000 0.320 319 A C 0.081 177.540 177.584 -0.209 0.000 1.138 319 A CA -0.310 51.655 52.037 -0.121 0.000 0.790 319 A CB 1.415 20.348 19.000 -0.111 0.000 1.206 319 A HN 1.242 nan 8.150 nan 0.000 0.470 320 A N 1.804 124.430 122.820 -0.322 0.000 2.301 320 A HA 0.648 5.109 4.320 0.235 0.000 0.312 320 A C -0.744 176.624 177.584 -0.359 0.000 1.182 320 A CA -0.382 51.292 52.037 -0.605 0.000 0.826 320 A CB 0.531 19.125 19.000 -0.677 0.000 1.134 320 A HN 1.450 nan 8.150 nan 0.000 0.501 321 L N 2.644 123.683 121.223 -0.306 0.000 2.316 321 L HA 0.470 4.951 4.340 0.235 0.000 0.280 321 L C 0.329 177.136 176.870 -0.105 0.000 1.006 321 L CA -0.330 54.421 54.840 -0.147 0.000 0.836 321 L CB 1.173 43.199 42.059 -0.055 0.000 1.221 321 L HN 0.738 nan 8.230 nan 0.000 0.418 322 R N 5.020 125.456 120.500 -0.108 0.000 2.220 322 R HA 0.458 4.939 4.340 0.235 0.000 0.340 322 R C -1.092 175.190 176.300 -0.030 0.000 1.076 322 R CA -0.375 55.681 56.100 -0.073 0.000 0.920 322 R CB 0.706 30.960 30.300 -0.076 0.000 1.062 322 R HN 0.591 nan 8.270 nan 0.000 0.469 323 V N 4.303 124.222 119.914 0.008 0.000 2.348 323 V HA 0.482 4.743 4.120 0.235 0.000 0.270 323 V C -2.521 173.580 176.094 0.012 0.000 1.037 323 V CA -2.732 59.584 62.300 0.025 0.000 0.872 323 V CB 1.128 33.008 31.823 0.095 0.000 1.002 323 V HN 0.687 nan 8.190 nan 0.000 0.464 324 P HA 0.270 nan 4.420 nan 0.000 0.263 324 P C 1.054 178.358 177.300 0.007 0.000 1.195 324 P CA 1.634 64.733 63.100 -0.002 0.000 0.762 324 P CB 0.830 32.526 31.700 -0.007 0.000 0.799 325 G N 3.133 111.936 108.800 0.005 0.000 2.166 325 G HA2 -0.291 3.810 3.960 0.235 0.000 0.260 325 G HA3 -0.291 3.810 3.960 0.235 0.000 0.260 325 G C 1.131 176.042 174.900 0.018 0.000 0.986 325 G CA 0.261 45.366 45.100 0.009 0.000 0.683 325 G HN 0.760 nan 8.290 nan 0.000 0.527 326 G N -0.122 108.693 108.800 0.024 0.000 2.882 326 G HA2 0.384 4.485 3.960 0.235 0.000 0.206 326 G HA3 0.384 4.485 3.960 0.235 0.000 0.206 326 G C 1.598 176.506 174.900 0.014 0.000 1.155 326 G CA 1.590 46.717 45.100 0.044 0.000 0.800 326 G HN 1.421 nan 8.290 nan 0.000 0.524 327 A N 0.588 123.409 122.820 0.002 0.000 2.015 327 A HA 0.083 4.544 4.320 0.235 0.000 0.219 327 A C 2.528 180.111 177.584 -0.002 0.000 1.163 327 A CA 1.690 53.725 52.037 -0.004 0.000 0.646 327 A CB -0.258 18.747 19.000 0.007 0.000 0.806 327 A HN 0.269 nan 8.150 nan 0.000 0.448 328 S N -0.301 115.403 115.700 0.007 0.000 2.507 328 S HA 0.032 4.643 4.470 0.235 0.000 0.235 328 S C 0.441 175.045 174.600 0.006 0.000 0.988 328 S CA 0.089 58.294 58.200 0.007 0.000 0.944 328 S CB -0.516 62.691 63.200 0.011 0.000 0.762 328 S HN 0.376 nan 8.310 nan 0.000 0.526 329 L N 2.771 124.002 121.223 0.014 0.000 2.540 329 L HA 0.062 4.543 4.340 0.235 0.000 0.276 329 L C 0.945 177.803 176.870 -0.021 0.000 1.212 329 L CA 0.755 55.608 54.840 0.021 0.000 0.893 329 L CB -0.437 41.677 42.059 0.092 0.000 1.138 329 L HN -0.005 nan 8.230 nan 0.000 0.491 330 T N 2.636 117.176 114.554 -0.023 0.000 2.860 330 T HA 0.066 4.557 4.350 0.235 0.000 0.299 330 T C 1.311 175.986 174.700 -0.042 0.000 1.045 330 T CA -0.470 61.611 62.100 -0.031 0.000 1.071 330 T CB 0.932 69.781 68.868 -0.033 0.000 0.985 330 T HN 0.521 nan 8.240 nan 0.000 0.537 331 R N 1.845 122.329 120.500 -0.026 0.000 2.120 331 R HA -0.085 4.396 4.340 0.235 0.000 0.234 331 R C 2.141 178.433 176.300 -0.012 0.000 1.123 331 R CA 1.703 57.795 56.100 -0.013 0.000 0.975 331 R CB -0.311 30.000 30.300 0.019 0.000 0.866 331 R HN 0.753 nan 8.270 nan 0.000 0.446 332 K N -0.657 119.727 120.400 -0.027 0.000 2.228 332 K HA -0.053 4.408 4.320 0.235 0.000 0.202 332 K C 1.800 178.347 176.600 -0.089 0.000 1.051 332 K CA 0.973 57.237 56.287 -0.039 0.000 0.960 332 K CB -0.110 32.368 32.500 -0.038 0.000 0.743 332 K HN 0.222 nan 8.250 nan 0.000 0.458 333 Q N 1.042 120.775 119.800 -0.112 0.000 2.046 333 Q HA -0.006 4.475 4.340 0.235 0.000 0.200 333 Q C 2.129 177.997 176.000 -0.220 0.000 0.975 333 Q CA 1.398 57.065 55.803 -0.225 0.000 0.836 333 Q CB -0.183 28.462 28.738 -0.154 0.000 0.896 333 Q HN 0.365 nan 8.270 nan 0.000 0.428 334 I N 0.801 121.353 120.570 -0.031 0.000 2.700 334 I HA -0.239 4.072 4.170 0.235 0.000 0.261 334 I C 0.986 177.179 176.117 0.126 0.000 1.219 334 I CA 1.012 62.384 61.300 0.119 0.000 1.463 334 I CB -0.155 37.812 38.000 -0.055 0.000 1.092 334 I HN 0.187 nan 8.210 nan 0.000 0.452 335 D N 0.388 120.806 120.400 0.030 0.000 2.201 335 D HA -0.133 4.648 4.640 0.235 0.000 0.209 335 D C 2.103 178.421 176.300 0.030 0.000 0.961 335 D CA 0.715 54.750 54.000 0.057 0.000 0.861 335 D CB 0.145 40.967 40.800 0.037 0.000 0.997 335 D HN 0.415 nan 8.370 nan 0.000 0.486 336 E N 0.127 120.276 120.200 -0.085 0.000 2.070 336 E HA -0.278 4.213 4.350 0.235 0.000 0.197 336 E C 1.429 178.038 176.600 0.016 0.000 1.004 336 E CA 1.060 57.399 56.400 -0.102 0.000 0.805 336 E CB -0.575 28.967 29.700 -0.262 0.000 0.744 336 E HN 0.376 nan 8.360 nan 0.000 0.451 337 Y N 1.584 121.904 120.300 0.033 0.000 2.181 337 Y HA -0.007 4.684 4.550 0.235 0.000 0.288 337 Y C 2.874 178.853 175.900 0.131 0.000 1.146 337 Y CA 0.957 59.080 58.100 0.037 0.000 1.164 337 Y CB -1.182 37.170 38.460 -0.180 0.000 0.982 337 Y HN 0.206 nan 8.280 nan 0.000 0.515 338 G N -0.331 108.634 108.800 0.276 0.000 2.469 338 G HA2 -0.306 3.794 3.960 0.235 0.000 0.220 338 G HA3 -0.306 3.794 3.960 0.235 0.000 0.220 338 G C 1.508 176.524 174.900 0.193 0.000 1.136 338 G CA 1.337 46.577 45.100 0.233 0.000 0.759 338 G HN 0.493 nan 8.290 nan 0.000 0.562 339 N N -0.788 118.022 118.700 0.182 0.000 2.251 339 N HA 0.011 4.892 4.740 0.235 0.000 0.181 339 N C 1.886 177.508 175.510 0.185 0.000 1.019 339 N CA 0.466 53.604 53.050 0.147 0.000 0.862 339 N CB -0.179 38.378 38.487 0.116 0.000 0.992 339 N HN 0.328 nan 8.380 nan 0.000 0.429 340 F N 2.566 122.584 119.950 0.114 0.000 2.065 340 F HA -0.244 4.423 4.527 0.233 0.000 0.298 340 F C 2.236 178.172 175.800 0.227 0.000 1.112 340 F CA 1.355 59.451 58.000 0.160 0.000 1.212 340 F CB -0.388 38.727 39.000 0.192 0.000 0.975 340 F HN -0.149 nan 8.300 nan 0.000 0.476 341 V N -1.556 118.451 119.914 0.156 0.000 2.867 341 V HA -0.240 4.021 4.120 0.235 0.000 0.260 341 V C 2.008 178.149 176.094 0.079 0.000 1.099 341 V CA 1.952 64.290 62.300 0.063 0.000 1.122 341 V CB -1.138 30.747 31.823 0.104 0.000 0.708 341 V HN 0.376 nan 8.190 nan 0.000 0.490 342 K N 0.422 120.852 120.400 0.050 0.000 2.148 342 K HA 0.107 4.567 4.320 0.235 0.000 0.204 342 K C 2.018 178.576 176.600 -0.070 0.000 1.050 342 K CA 1.693 57.989 56.287 0.014 0.000 0.942 342 K CB -0.355 32.159 32.500 0.023 0.000 0.724 342 K HN 0.499 nan 8.250 nan 0.000 0.446 343 I N 0.177 120.636 120.570 -0.184 0.000 2.423 343 I HA -0.268 4.042 4.170 0.235 0.000 0.254 343 I C 0.976 176.732 176.117 -0.601 0.000 1.151 343 I CA 1.372 62.404 61.300 -0.447 0.000 1.421 343 I CB -0.152 37.400 38.000 -0.747 0.000 1.079 343 I HN 0.165 nan 8.210 nan 0.000 0.431 344 Y N 0.215 120.397 120.300 -0.196 0.000 2.571 344 Y HA 0.402 5.091 4.550 0.233 0.000 0.275 344 Y C 1.613 177.462 175.900 -0.084 0.000 1.179 344 Y CA 0.095 58.110 58.100 -0.141 0.000 1.242 344 Y CB 0.181 38.538 38.460 -0.171 0.000 1.126 344 Y HN 0.187 nan 8.280 nan 0.000 0.524 345 G N 0.047 108.857 108.800 0.018 0.000 2.157 345 G HA2 -0.194 3.907 3.960 0.235 0.000 0.248 345 G HA3 -0.194 3.907 3.960 0.235 0.000 0.248 345 G C 0.315 175.237 174.900 0.036 0.000 0.979 345 G CA -0.145 44.966 45.100 0.018 0.000 0.650 345 G HN 0.639 nan 8.290 nan 0.000 0.529 346 A N 0.037 122.890 122.820 0.055 0.000 2.409 346 A HA 0.692 5.153 4.320 0.235 0.000 0.262 346 A C 1.320 178.940 177.584 0.060 0.000 1.113 346 A CA 0.861 52.935 52.037 0.061 0.000 0.790 346 A CB 0.408 19.453 19.000 0.076 0.000 1.046 346 A HN 0.381 nan 8.150 nan 0.000 0.496 347 K N 1.972 122.406 120.400 0.056 0.000 2.001 347 K HA 0.041 4.502 4.320 0.235 0.000 0.208 347 K C 1.130 177.777 176.600 0.078 0.000 1.048 347 K CA 1.406 57.723 56.287 0.051 0.000 0.932 347 K CB 0.011 32.530 32.500 0.032 0.000 0.715 347 K HN 0.797 nan 8.250 nan 0.000 0.437 348 G N 0.022 108.887 108.800 0.109 0.000 3.021 348 G HA2 0.537 4.638 3.960 0.235 0.000 0.290 348 G HA3 0.537 4.638 3.960 0.235 0.000 0.290 348 G C -1.845 173.183 174.900 0.214 0.000 1.291 348 G CA -0.567 44.625 45.100 0.153 0.000 0.834 348 G HN 0.053 nan 8.290 nan 0.000 0.564 349 L N 0.251 121.646 121.223 0.287 0.000 2.588 349 L HA 0.709 5.190 4.340 0.235 0.000 0.256 349 L C 0.260 177.440 176.870 0.517 0.000 1.083 349 L CA -0.382 54.697 54.840 0.399 0.000 0.909 349 L CB 0.511 42.801 42.059 0.384 0.000 1.121 349 L HN 1.006 nan 8.230 nan 0.000 0.470 350 A N 2.977 126.102 122.820 0.508 0.000 2.346 350 A HA 0.684 5.145 4.320 0.235 0.000 0.252 350 A C -0.831 177.095 177.584 0.571 0.000 1.089 350 A CA 0.426 52.720 52.037 0.428 0.000 0.797 350 A CB 0.269 19.471 19.000 0.338 0.000 1.047 350 A HN 1.033 nan 8.150 nan 0.000 0.494 351 Y N -2.582 117.869 120.300 0.252 0.000 2.705 351 Y HA 0.784 5.475 4.550 0.235 0.000 0.332 351 Y C -1.204 174.761 175.900 0.108 0.000 1.221 351 Y CA -1.660 56.520 58.100 0.134 0.000 1.059 351 Y CB 1.200 39.528 38.460 -0.221 0.000 1.298 351 Y HN 0.442 nan 8.280 nan 0.000 0.459 352 I N 2.381 123.099 120.570 0.246 0.000 2.529 352 I HA 0.290 4.601 4.170 0.235 0.000 0.284 352 I C -1.258 174.954 176.117 0.159 0.000 1.088 352 I CA -0.892 60.493 61.300 0.142 0.000 1.062 352 I CB 2.035 40.150 38.000 0.191 0.000 1.218 352 I HN 0.546 nan 8.210 nan 0.000 0.442 353 K N 5.281 125.785 120.400 0.174 0.000 2.312 353 K HA 0.396 4.857 4.320 0.235 0.000 0.287 353 K C -0.551 176.084 176.600 0.058 0.000 1.062 353 K CA -0.464 55.888 56.287 0.110 0.000 0.934 353 K CB 1.851 34.424 32.500 0.123 0.000 1.027 353 K HN 0.284 nan 8.250 nan 0.000 0.478 354 V N 5.165 125.101 119.914 0.036 0.000 2.304 354 V HA 0.023 4.284 4.120 0.235 0.000 0.262 354 V C 0.683 176.788 176.094 0.017 0.000 1.061 354 V CA -0.376 61.939 62.300 0.025 0.000 0.872 354 V CB 0.325 32.160 31.823 0.018 0.000 1.077 354 V HN 0.754 nan 8.190 nan 0.000 0.480 355 N N 3.476 122.185 118.700 0.016 0.000 2.319 355 N HA 0.043 4.924 4.740 0.235 0.000 0.189 355 N C 0.657 176.171 175.510 0.007 0.000 1.042 355 N CA 0.448 53.505 53.050 0.011 0.000 0.879 355 N CB 0.622 39.116 38.487 0.012 0.000 1.052 355 N HN 0.701 nan 8.380 nan 0.000 0.446 356 E N 0.794 120.997 120.200 0.005 0.000 2.460 356 E HA 0.206 4.697 4.350 0.235 0.000 0.249 356 E C 0.322 176.923 176.600 0.003 0.000 0.962 356 E CA -0.231 56.171 56.400 0.003 0.000 0.787 356 E CB 1.429 31.129 29.700 0.001 0.000 1.341 356 E HN 0.030 nan 8.360 nan 0.000 0.407 357 R N 2.683 123.185 120.500 0.003 0.000 2.105 357 R HA -0.158 4.323 4.340 0.235 0.000 0.239 357 R C 1.797 178.098 176.300 0.001 0.000 1.135 357 R CA 1.828 57.930 56.100 0.004 0.000 0.967 357 R CB -0.025 30.278 30.300 0.004 0.000 0.861 357 R HN 0.541 nan 8.270 nan 0.000 0.442 358 A N 0.771 123.591 122.820 0.000 0.000 1.978 358 A HA -0.194 4.267 4.320 0.235 0.000 0.220 358 A C 1.939 179.522 177.584 -0.002 0.000 1.170 358 A CA 1.467 53.503 52.037 -0.001 0.000 0.636 358 A CB -0.324 18.675 19.000 -0.001 0.000 0.810 358 A HN 0.277 nan 8.150 nan 0.000 0.448 359 K N -0.651 119.747 120.400 -0.003 0.000 2.551 359 K HA 0.242 4.703 4.320 0.235 0.000 0.192 359 K C 1.072 177.668 176.600 -0.007 0.000 1.027 359 K CA 0.555 56.839 56.287 -0.005 0.000 1.059 359 K CB -0.586 31.911 32.500 -0.005 0.000 0.831 359 K HN 0.646 nan 8.250 nan 0.000 0.508 360 G N 0.820 109.617 108.800 -0.005 0.000 2.575 360 G HA2 -0.377 3.724 3.960 0.235 0.000 0.267 360 G HA3 -0.377 3.724 3.960 0.235 0.000 0.267 360 G C 0.563 175.458 174.900 -0.010 0.000 1.264 360 G CA 0.137 45.233 45.100 -0.007 0.000 0.935 360 G HN 0.195 nan 8.290 nan 0.000 0.568 361 L N 0.422 121.636 121.223 -0.016 0.000 2.051 361 L HA -0.130 4.351 4.340 0.235 0.000 0.214 361 L C 2.740 179.595 176.870 -0.024 0.000 1.076 361 L CA 2.571 57.396 54.840 -0.024 0.000 0.758 361 L CB -0.451 41.587 42.059 -0.035 0.000 0.890 361 L HN 0.719 nan 8.230 nan 0.000 0.433 362 E N -0.510 119.677 120.200 -0.021 0.000 2.515 362 E HA -0.088 4.403 4.350 0.235 0.000 0.201 362 E C 1.897 178.490 176.600 -0.012 0.000 1.071 362 E CA 0.558 56.946 56.400 -0.019 0.000 0.880 362 E CB -0.128 29.562 29.700 -0.018 0.000 0.828 362 E HN 0.591 nan 8.360 nan 0.000 0.540 363 G N 1.150 109.945 108.800 -0.009 0.000 3.088 363 G HA2 0.217 4.318 3.960 0.235 0.000 0.217 363 G HA3 0.217 4.318 3.960 0.235 0.000 0.217 363 G C 0.516 175.417 174.900 0.002 0.000 1.159 363 G CA -0.079 45.019 45.100 -0.003 0.000 0.760 363 G HN 0.160 nan 8.290 nan 0.000 0.550 364 I N -3.268 117.301 120.570 -0.002 0.000 3.206 364 I HA 0.589 4.900 4.170 0.235 0.000 0.313 364 I C -1.099 175.018 176.117 -0.001 0.000 1.103 364 I CA -2.079 59.225 61.300 0.005 0.000 0.985 364 I CB 2.367 40.371 38.000 0.007 0.000 1.240 364 I HN -0.123 nan 8.210 nan 0.000 0.464 365 N N 1.615 120.322 118.700 0.012 0.000 2.571 365 N HA 0.530 5.411 4.740 0.235 0.000 0.286 365 N C -1.844 173.658 175.510 -0.014 0.000 1.138 365 N CA -0.139 52.915 53.050 0.007 0.000 0.859 365 N CB 1.245 39.760 38.487 0.045 0.000 1.414 365 N HN 0.986 nan 8.380 nan 0.000 0.529 366 S N 2.481 118.112 115.700 -0.115 0.000 2.543 366 S HA 0.441 5.052 4.470 0.235 0.000 0.271 366 S C -2.646 171.773 174.600 -0.302 0.000 1.148 366 S CA -0.903 57.123 58.200 -0.289 0.000 0.914 366 S CB 2.089 65.137 63.200 -0.253 0.000 1.096 366 S HN 0.292 nan 8.310 nan 0.000 0.471 367 P HA 0.030 nan 4.420 nan 0.000 0.236 367 P C 1.003 178.161 177.300 -0.237 0.000 1.172 367 P CA 0.587 63.535 63.100 -0.254 0.000 0.759 367 P CB -0.043 31.522 31.700 -0.225 0.000 0.843 368 V N -6.076 113.659 119.914 -0.299 0.000 3.432 368 V HA 0.469 4.729 4.120 0.235 0.000 0.298 368 V C 1.745 177.660 176.094 -0.297 0.000 1.464 368 V CA 0.497 62.617 62.300 -0.299 0.000 1.046 368 V CB -0.620 30.909 31.823 -0.490 0.000 0.887 368 V HN -0.059 nan 8.190 nan 0.000 0.441 369 A N 2.291 124.948 122.820 -0.271 0.000 2.125 369 A HA -0.144 4.317 4.320 0.235 0.000 0.219 369 A C 2.140 179.552 177.584 -0.286 0.000 1.156 369 A CA 1.969 53.875 52.037 -0.219 0.000 0.671 369 A CB -0.423 18.478 19.000 -0.165 0.000 0.794 369 A HN 0.850 nan 8.150 nan 0.000 0.459 370 K N -1.851 118.262 120.400 -0.478 0.000 2.432 370 K HA 0.057 4.517 4.320 0.235 0.000 0.196 370 K C 0.785 176.950 176.600 -0.724 0.000 1.038 370 K CA 0.988 56.908 56.287 -0.612 0.000 0.986 370 K CB -0.261 31.772 32.500 -0.778 0.000 0.782 370 K HN 0.336 nan 8.250 nan 0.000 0.485 371 F N 0.579 120.330 119.950 -0.331 0.000 2.656 371 F HA 0.233 4.901 4.527 0.235 0.000 0.291 371 F C 0.824 176.518 175.800 -0.177 0.000 1.122 371 F CA -0.464 57.347 58.000 -0.314 0.000 1.427 371 F CB 0.045 38.636 39.000 -0.682 0.000 1.125 371 F HN -0.119 nan 8.300 nan 0.000 0.583 372 L N -0.201 120.996 121.223 -0.044 0.000 2.970 372 L HA 0.382 4.863 4.340 0.235 0.000 0.214 372 L C -0.097 176.756 176.870 -0.029 0.000 1.317 372 L CA -0.699 54.142 54.840 0.002 0.000 1.187 372 L CB 0.029 42.087 42.059 -0.002 0.000 2.155 372 L HN 0.212 nan 8.230 nan 0.000 0.554 373 N N -2.997 115.694 118.700 -0.014 0.000 3.046 373 N HA 0.429 5.310 4.740 0.235 0.000 0.243 373 N C -0.104 175.399 175.510 -0.013 0.000 1.452 373 N CA -0.128 52.908 53.050 -0.024 0.000 0.882 373 N CB 0.546 39.025 38.487 -0.013 0.000 1.425 373 N HN 0.477 nan 8.380 nan 0.000 0.517 374 A N -0.129 122.680 122.820 -0.017 0.000 1.958 374 A HA -0.257 4.204 4.320 0.235 0.000 0.221 374 A C 1.799 179.384 177.584 0.002 0.000 1.178 374 A CA 2.179 54.210 52.037 -0.010 0.000 0.642 374 A CB -1.011 17.981 19.000 -0.013 0.000 0.816 374 A HN 0.821 nan 8.150 nan 0.000 0.453 375 E N -0.615 119.589 120.200 0.006 0.000 2.033 375 E HA -0.060 4.431 4.350 0.235 0.000 0.189 375 E C 1.961 178.574 176.600 0.023 0.000 0.979 375 E CA 0.779 57.186 56.400 0.012 0.000 0.802 375 E CB -0.159 29.548 29.700 0.011 0.000 0.763 375 E HN 0.664 nan 8.360 nan 0.000 0.449 376 I N 1.283 121.870 120.570 0.029 0.000 2.208 376 I HA -0.312 3.999 4.170 0.235 0.000 0.245 376 I C 2.379 178.529 176.117 0.056 0.000 1.097 376 I CA 1.071 62.399 61.300 0.047 0.000 1.363 376 I CB -0.291 37.745 38.000 0.059 0.000 1.051 376 I HN 0.216 nan 8.210 nan 0.000 0.413 377 I N 0.233 120.830 120.570 0.045 0.000 2.286 377 I HA -0.244 4.067 4.170 0.235 0.000 0.248 377 I C 2.595 178.742 176.117 0.049 0.000 1.115 377 I CA 1.208 62.541 61.300 0.054 0.000 1.392 377 I CB -0.436 37.581 38.000 0.029 0.000 1.065 377 I HN 0.259 nan 8.210 nan 0.000 0.418 378 E N 0.823 121.042 120.200 0.032 0.000 2.106 378 E HA -0.194 4.297 4.350 0.235 0.000 0.192 378 E C 1.703 178.319 176.600 0.026 0.000 0.984 378 E CA 1.120 57.534 56.400 0.024 0.000 0.806 378 E CB -0.176 29.532 29.700 0.015 0.000 0.750 378 E HN 0.472 nan 8.360 nan 0.000 0.458 379 D N 0.607 121.026 120.400 0.031 0.000 2.097 379 D HA -0.120 4.661 4.640 0.235 0.000 0.195 379 D C 2.167 178.486 176.300 0.032 0.000 0.989 379 D CA 0.694 54.710 54.000 0.027 0.000 0.827 379 D CB -0.326 40.492 40.800 0.030 0.000 0.966 379 D HN 0.224 nan 8.370 nan 0.000 0.456 380 I N 0.842 121.445 120.570 0.056 0.000 2.208 380 I HA -0.250 4.060 4.170 0.235 0.000 0.245 380 I C 2.429 178.571 176.117 0.041 0.000 1.097 380 I CA 0.809 62.151 61.300 0.071 0.000 1.363 380 I CB -0.225 37.872 38.000 0.162 0.000 1.051 380 I HN 0.004 nan 8.210 nan 0.000 0.413 381 L N -0.087 121.160 121.223 0.041 0.000 2.044 381 L HA -0.189 4.292 4.340 0.235 0.000 0.205 381 L C 2.234 179.106 176.870 0.004 0.000 1.075 381 L CA 1.228 56.081 54.840 0.021 0.000 0.747 381 L CB -0.825 41.249 42.059 0.024 0.000 0.903 381 L HN 0.218 nan 8.230 nan 0.000 0.435 382 D N 0.075 120.479 120.400 0.006 0.000 2.104 382 D HA -0.200 4.581 4.640 0.235 0.000 0.194 382 D C 2.189 178.483 176.300 -0.009 0.000 0.994 382 D CA 1.204 55.203 54.000 -0.001 0.000 0.830 382 D CB -0.025 40.776 40.800 0.002 0.000 0.959 382 D HN 0.084 nan 8.370 nan 0.000 0.452 383 R N 0.193 120.687 120.500 -0.010 0.000 2.109 383 R HA -0.131 4.350 4.340 0.235 0.000 0.227 383 R C 2.226 178.504 176.300 -0.036 0.000 1.132 383 R CA 2.532 58.618 56.100 -0.022 0.000 0.907 383 R CB -0.955 29.332 30.300 -0.021 0.000 0.825 383 R HN 0.282 nan 8.270 nan 0.000 0.432 384 T N -1.740 112.788 114.554 -0.044 0.000 3.077 384 T HA 0.018 4.509 4.350 0.235 0.000 0.269 384 T C 1.046 175.718 174.700 -0.047 0.000 1.146 384 T CA 0.813 62.876 62.100 -0.062 0.000 1.091 384 T CB -0.452 68.370 68.868 -0.078 0.000 0.892 384 T HN 0.571 nan 8.240 nan 0.000 0.533 385 A N 0.074 122.875 122.820 -0.031 0.000 2.872 385 A HA 0.078 4.538 4.320 0.235 0.000 0.273 385 A C 0.814 178.386 177.584 -0.021 0.000 1.442 385 A CA 0.522 52.545 52.037 -0.024 0.000 0.801 385 A CB -2.430 16.554 19.000 -0.027 0.000 1.031 385 A HN 1.814 nan 8.150 nan 0.000 0.582 386 A N -0.001 122.807 122.820 -0.019 0.000 2.492 386 A HA 0.505 4.966 4.320 0.235 0.000 0.254 386 A C 0.577 178.157 177.584 -0.006 0.000 1.091 386 A CA 0.774 52.802 52.037 -0.014 0.000 0.768 386 A CB 0.056 19.050 19.000 -0.010 0.000 1.028 386 A HN 1.234 nan 8.150 nan 0.000 0.498 387 Q N 1.638 121.434 119.800 -0.006 0.000 2.496 387 Q HA 0.462 4.943 4.340 0.235 0.000 0.286 387 Q C -1.403 174.597 176.000 0.000 0.000 1.103 387 Q CA -1.250 54.552 55.803 -0.002 0.000 0.813 387 Q CB 0.741 29.476 28.738 -0.004 0.000 1.444 387 Q HN 0.547 nan 8.270 nan 0.000 0.443 388 D N 0.457 120.858 120.400 0.001 0.000 2.662 388 D HA 0.174 4.955 4.640 0.235 0.000 0.233 388 D C 1.044 177.346 176.300 0.003 0.000 1.129 388 D CA 2.417 56.418 54.000 0.003 0.000 0.851 388 D CB 0.390 41.191 40.800 0.002 0.000 1.152 388 D HN 0.899 nan 8.370 nan 0.000 0.507 389 G N 2.445 111.248 108.800 0.005 0.000 2.284 389 G HA2 -0.233 3.868 3.960 0.235 0.000 0.216 389 G HA3 -0.233 3.868 3.960 0.235 0.000 0.216 389 G C 0.144 175.047 174.900 0.004 0.000 1.009 389 G CA -0.169 44.933 45.100 0.004 0.000 0.625 389 G HN 0.530 nan 8.290 nan 0.000 0.501 390 D N 0.612 121.013 120.400 0.001 0.000 2.360 390 D HA 0.620 5.401 4.640 0.235 0.000 0.242 390 D C 0.543 176.837 176.300 -0.009 0.000 1.184 390 D CA 0.275 54.273 54.000 -0.003 0.000 0.930 390 D CB 0.985 41.781 40.800 -0.008 0.000 1.161 390 D HN 0.410 nan 8.370 nan 0.000 0.447 391 M N 0.334 119.917 119.600 -0.027 0.000 2.761 391 M HA 0.608 5.228 4.480 0.235 0.000 0.305 391 M C -1.731 174.507 176.300 -0.103 0.000 1.235 391 M CA -0.467 54.784 55.300 -0.083 0.000 0.850 391 M CB 1.756 34.261 32.600 -0.158 0.000 1.744 391 M HN 0.341 nan 8.290 nan 0.000 0.480 392 I N 2.797 123.270 120.570 -0.161 0.000 2.563 392 I HA 0.294 4.605 4.170 0.235 0.000 0.281 392 I C -1.525 174.482 176.117 -0.183 0.000 1.110 392 I CA -0.226 60.981 61.300 -0.155 0.000 1.073 392 I CB 1.087 39.039 38.000 -0.079 0.000 1.215 392 I HN 0.544 nan 8.210 nan 0.000 0.460 393 F N 4.948 124.862 119.950 -0.060 0.000 2.368 393 F HA 0.578 5.246 4.527 0.236 0.000 0.315 393 F C -0.103 175.591 175.800 -0.177 0.000 1.145 393 F CA -0.025 58.024 58.000 0.082 0.000 1.095 393 F CB 0.876 39.905 39.000 0.049 0.000 1.286 393 F HN 0.109 nan 8.300 nan 0.000 0.530 394 F N -0.262 119.878 119.950 0.315 0.000 2.588 394 F HA 0.644 5.312 4.527 0.235 0.000 0.310 394 F C 0.195 176.082 175.800 0.145 0.000 1.082 394 F CA -1.304 56.781 58.000 0.142 0.000 0.929 394 F CB 2.053 41.108 39.000 0.092 0.000 1.254 394 F HN 0.431 nan 8.300 nan 0.000 0.455 395 G N 0.922 109.835 108.800 0.189 0.000 2.626 395 G HA2 0.688 4.789 3.960 0.235 0.000 0.304 395 G HA3 0.688 4.789 3.960 0.235 0.000 0.304 395 G C -1.812 173.140 174.900 0.087 0.000 1.385 395 G CA -0.885 44.292 45.100 0.128 0.000 0.957 395 G HN 0.879 nan 8.290 nan 0.000 0.504 396 A N 2.683 125.568 122.820 0.109 0.000 2.457 396 A HA 0.799 5.260 4.320 0.235 0.000 0.283 396 A C -0.881 176.736 177.584 0.055 0.000 1.166 396 A CA -0.510 51.569 52.037 0.070 0.000 0.740 396 A CB 1.522 20.597 19.000 0.125 0.000 1.181 396 A HN 0.637 nan 8.150 nan 0.000 0.446 397 D N 0.374 120.790 120.400 0.026 0.000 3.734 397 D HA 0.105 4.886 4.640 0.235 0.000 0.350 397 D C -1.056 175.248 176.300 0.007 0.000 1.511 397 D CA -0.221 53.789 54.000 0.017 0.000 0.956 397 D CB 0.560 41.374 40.800 0.024 0.000 1.470 397 D HN 0.624 nan 8.370 nan 0.000 0.598 398 N N 0.391 119.095 118.700 0.007 0.000 2.503 398 N HA 0.151 5.032 4.740 0.235 0.000 0.267 398 N C 0.733 176.245 175.510 0.003 0.000 1.214 398 N CA -0.105 52.949 53.050 0.005 0.000 0.959 398 N CB 0.896 39.389 38.487 0.009 0.000 1.142 398 N HN 0.264 nan 8.380 nan 0.000 0.455 399 K N 0.684 121.084 120.400 -0.001 0.000 2.117 399 K HA -0.362 4.099 4.320 0.235 0.000 0.215 399 K C 1.518 178.112 176.600 -0.010 0.000 1.053 399 K CA 2.137 58.418 56.287 -0.010 0.000 0.935 399 K CB -0.221 32.276 32.500 -0.006 0.000 0.719 399 K HN 0.699 nan 8.250 nan 0.000 0.460 400 K N 1.178 121.582 120.400 0.007 0.000 2.002 400 K HA -0.151 4.310 4.320 0.235 0.000 0.209 400 K C 2.141 178.748 176.600 0.012 0.000 1.048 400 K CA 1.539 57.836 56.287 0.015 0.000 0.930 400 K CB -0.107 32.413 32.500 0.034 0.000 0.714 400 K HN 0.093 nan 8.250 nan 0.000 0.438 401 I N 0.870 121.450 120.570 0.017 0.000 2.179 401 I HA -0.270 4.041 4.170 0.235 0.000 0.242 401 I C 2.296 178.413 176.117 0.000 0.000 1.088 401 I CA 0.979 62.293 61.300 0.023 0.000 1.357 401 I CB -0.276 37.741 38.000 0.028 0.000 1.051 401 I HN 0.030 nan 8.210 nan 0.000 0.409 402 V N 1.288 121.198 119.914 -0.007 0.000 2.324 402 V HA -0.354 3.907 4.120 0.235 0.000 0.250 402 V C 2.737 178.799 176.094 -0.052 0.000 1.060 402 V CA 2.172 64.458 62.300 -0.023 0.000 1.042 402 V CB -1.139 30.669 31.823 -0.025 0.000 0.650 402 V HN 0.522 nan 8.190 nan 0.000 0.450 403 A N 0.019 122.807 122.820 -0.054 0.000 1.858 403 A HA -0.237 4.224 4.320 0.235 0.000 0.216 403 A C 2.009 179.537 177.584 -0.093 0.000 1.190 403 A CA 2.048 54.040 52.037 -0.075 0.000 0.617 403 A CB -0.696 18.260 19.000 -0.073 0.000 0.827 403 A HN 0.544 nan 8.150 nan 0.000 0.443 404 D N 0.160 120.518 120.400 -0.070 0.000 2.084 404 D HA -0.053 4.728 4.640 0.235 0.000 0.194 404 D C 2.269 178.367 176.300 -0.336 0.000 0.990 404 D CA 1.716 55.651 54.000 -0.110 0.000 0.826 404 D CB -0.623 40.208 40.800 0.052 0.000 0.971 404 D HN 0.410 nan 8.370 nan 0.000 0.453 405 A N 1.130 123.822 122.820 -0.215 0.000 1.845 405 A HA -0.152 4.309 4.320 0.235 0.000 0.215 405 A C 2.111 179.542 177.584 -0.255 0.000 1.195 405 A CA 1.629 53.502 52.037 -0.273 0.000 0.616 405 A CB -0.466 18.498 19.000 -0.060 0.000 0.832 405 A HN 0.079 nan 8.150 nan 0.000 0.443 406 M N -0.156 119.354 119.600 -0.150 0.000 2.374 406 M HA -0.036 4.585 4.480 0.235 0.000 0.264 406 M C 2.163 178.377 176.300 -0.143 0.000 1.067 406 M CA 1.120 56.344 55.300 -0.127 0.000 1.103 406 M CB -1.840 30.705 32.600 -0.092 0.000 1.402 406 M HN 0.491 nan 8.290 nan 0.000 0.444 407 G N 0.106 108.807 108.800 -0.166 0.000 2.394 407 G HA2 0.006 4.107 3.960 0.235 0.000 0.214 407 G HA3 0.006 4.107 3.960 0.235 0.000 0.214 407 G C 1.696 176.504 174.900 -0.154 0.000 1.176 407 G CA 1.002 46.021 45.100 -0.135 0.000 0.786 407 G HN 0.506 nan 8.290 nan 0.000 0.533 408 A N 0.699 123.352 122.820 -0.279 0.000 1.845 408 A HA 0.056 4.517 4.320 0.235 0.000 0.215 408 A C 2.394 179.996 177.584 0.029 0.000 1.195 408 A CA 1.399 53.315 52.037 -0.202 0.000 0.616 408 A CB -0.750 17.798 19.000 -0.753 0.000 0.832 408 A HN 0.329 nan 8.150 nan 0.000 0.443 409 L N -0.583 120.662 121.223 0.038 0.000 2.010 409 L HA -0.308 4.173 4.340 0.235 0.000 0.219 409 L C 2.866 179.596 176.870 -0.232 0.000 1.077 409 L CA 2.357 57.139 54.840 -0.098 0.000 0.773 409 L CB -0.396 41.534 42.059 -0.216 0.000 0.892 409 L HN 0.590 nan 8.230 nan 0.000 0.436 410 R N -0.138 120.262 120.500 -0.167 0.000 2.133 410 R HA -0.231 4.250 4.340 0.235 0.000 0.247 410 R C 2.216 178.446 176.300 -0.117 0.000 1.151 410 R CA 1.798 57.818 56.100 -0.134 0.000 0.971 410 R CB -0.290 29.965 30.300 -0.075 0.000 0.866 410 R HN 0.416 nan 8.270 nan 0.000 0.447 411 L N 0.364 121.527 121.223 -0.101 0.000 2.044 411 L HA -0.103 4.378 4.340 0.235 0.000 0.205 411 L C 2.766 179.563 176.870 -0.121 0.000 1.075 411 L CA 1.490 56.277 54.840 -0.088 0.000 0.747 411 L CB -0.481 41.540 42.059 -0.064 0.000 0.903 411 L HN 0.207 nan 8.230 nan 0.000 0.435 412 K N 0.286 120.577 120.400 -0.182 0.000 1.991 412 K HA -0.173 4.288 4.320 0.235 0.000 0.212 412 K C 2.034 178.510 176.600 -0.206 0.000 1.049 412 K CA 1.715 57.849 56.287 -0.255 0.000 0.932 412 K CB -0.119 32.050 32.500 -0.551 0.000 0.717 412 K HN 0.021 nan 8.250 nan 0.000 0.441 413 V N 0.888 120.610 119.914 -0.320 0.000 2.332 413 V HA -0.216 4.045 4.120 0.235 0.000 0.248 413 V C 2.398 178.425 176.094 -0.111 0.000 1.055 413 V CA 2.159 64.304 62.300 -0.257 0.000 1.038 413 V CB -1.002 30.586 31.823 -0.392 0.000 0.651 413 V HN 0.662 nan 8.190 nan 0.000 0.450 414 G N -0.381 108.353 108.800 -0.111 0.000 2.440 414 G HA2 -0.257 3.844 3.960 0.235 0.000 0.218 414 G HA3 -0.257 3.844 3.960 0.235 0.000 0.218 414 G C 1.694 176.562 174.900 -0.054 0.000 1.154 414 G CA 0.953 46.012 45.100 -0.068 0.000 0.767 414 G HN 0.486 nan 8.290 nan 0.000 0.552 415 K N 0.095 120.459 120.400 -0.061 0.000 2.076 415 K HA -0.009 4.452 4.320 0.235 0.000 0.204 415 K C 2.200 178.780 176.600 -0.033 0.000 1.051 415 K CA 1.081 57.340 56.287 -0.048 0.000 0.949 415 K CB -0.072 32.397 32.500 -0.052 0.000 0.726 415 K HN 0.114 nan 8.250 nan 0.000 0.443 416 D N 1.102 121.488 120.400 -0.025 0.000 2.092 416 D HA -0.150 4.631 4.640 0.235 0.000 0.193 416 D C 1.578 177.883 176.300 0.007 0.000 0.994 416 D CA 0.999 55.000 54.000 0.002 0.000 0.828 416 D CB -0.088 40.746 40.800 0.057 0.000 0.963 416 D HN 0.029 nan 8.370 nan 0.000 0.450 417 L N -0.009 121.221 121.223 0.011 0.000 2.610 417 L HA 0.113 4.594 4.340 0.235 0.000 0.232 417 L C 1.294 178.161 176.870 -0.005 0.000 1.149 417 L CA 0.745 55.591 54.840 0.011 0.000 0.872 417 L CB -1.204 40.866 42.059 0.018 0.000 0.992 417 L HN 0.171 nan 8.230 nan 0.000 0.447 418 G N 0.267 109.058 108.800 -0.015 0.000 2.249 418 G HA2 -0.307 3.794 3.960 0.235 0.000 0.273 418 G HA3 -0.307 3.794 3.960 0.235 0.000 0.273 418 G C 1.071 175.957 174.900 -0.024 0.000 1.036 418 G CA 0.598 45.685 45.100 -0.022 0.000 0.824 418 G HN 0.427 nan 8.290 nan 0.000 0.504 419 L N -0.469 120.739 121.223 -0.025 0.000 2.209 419 L HA 0.081 4.562 4.340 0.235 0.000 0.207 419 L C 1.688 178.539 176.870 -0.031 0.000 1.094 419 L CA 1.063 55.888 54.840 -0.025 0.000 0.790 419 L CB -0.315 41.730 42.059 -0.023 0.000 0.932 419 L HN 0.239 nan 8.230 nan 0.000 0.447 420 T N 1.079 115.610 114.554 -0.039 0.000 2.784 420 T HA -0.041 4.450 4.350 0.235 0.000 0.291 420 T C 0.062 174.729 174.700 -0.055 0.000 0.942 420 T CA -0.080 61.992 62.100 -0.047 0.000 1.161 420 T CB 0.267 69.103 68.868 -0.053 0.000 0.885 420 T HN 0.014 nan 8.240 nan 0.000 0.534 421 D N 3.536 123.901 120.400 -0.058 0.000 2.398 421 D HA -0.003 4.778 4.640 0.235 0.000 0.250 421 D C 0.901 177.138 176.300 -0.105 0.000 1.287 421 D CA -0.124 53.834 54.000 -0.070 0.000 0.992 421 D CB 0.384 41.147 40.800 -0.061 0.000 1.071 421 D HN 0.535 nan 8.370 nan 0.000 0.514 422 E N 1.315 121.449 120.200 -0.111 0.000 2.416 422 E HA 0.014 4.505 4.350 0.235 0.000 0.189 422 E C 0.932 177.407 176.600 -0.208 0.000 1.091 422 E CA -0.013 56.293 56.400 -0.157 0.000 0.889 422 E CB 0.329 29.956 29.700 -0.123 0.000 1.015 422 E HN 0.305 nan 8.360 nan 0.000 0.479 423 S N 0.401 115.998 115.700 -0.173 0.000 2.501 423 S HA 0.040 4.651 4.470 0.235 0.000 0.220 423 S C 0.727 175.184 174.600 -0.238 0.000 0.997 423 S CA 0.606 58.704 58.200 -0.169 0.000 0.919 423 S CB 0.292 63.435 63.200 -0.095 0.000 0.778 423 S HN 0.010 nan 8.310 nan 0.000 0.523 424 K N -0.429 119.806 120.400 -0.275 0.000 2.349 424 K HA 0.535 4.996 4.320 0.235 0.000 0.243 424 K C -1.975 174.359 176.600 -0.444 0.000 1.058 424 K CA -0.907 55.203 56.287 -0.296 0.000 0.871 424 K CB 0.780 33.226 32.500 -0.089 0.000 1.337 424 K HN 0.057 nan 8.250 nan 0.000 0.469 425 W N 0.515 121.787 121.300 -0.046 0.000 2.520 425 W HA 0.622 5.423 4.660 0.236 0.000 0.323 425 W C -0.504 175.901 176.519 -0.191 0.000 1.062 425 W CA -0.819 56.459 57.345 -0.111 0.000 1.215 425 W CB 1.830 31.201 29.460 -0.150 0.000 1.340 425 W HN 0.526 nan 8.180 nan 0.000 0.516 426 A N 5.321 128.149 122.820 0.013 0.000 2.978 426 A HA 0.451 4.912 4.320 0.235 0.000 0.341 426 A C -2.537 174.883 177.584 -0.272 0.000 1.105 426 A CA -1.472 50.488 52.037 -0.130 0.000 0.819 426 A CB -0.105 18.826 19.000 -0.115 0.000 1.080 426 A HN 0.303 nan 8.150 nan 0.000 0.476 427 P HA 0.641 nan 4.420 nan 0.000 0.281 427 P C -0.754 176.122 177.300 -0.706 0.000 1.249 427 P CA -0.218 62.359 63.100 -0.871 0.000 0.810 427 P CB 1.633 32.285 31.700 -1.746 0.000 1.008 428 L N -1.646 119.250 121.223 -0.546 0.000 2.789 428 L HA 0.606 5.087 4.340 0.235 0.000 0.258 428 L C -1.950 174.864 176.870 -0.094 0.000 0.966 428 L CA -0.917 53.802 54.840 -0.201 0.000 0.916 428 L CB 1.055 43.050 42.059 -0.107 0.000 1.475 428 L HN 0.222 nan 8.230 nan 0.000 0.418 429 W N 1.426 122.812 121.300 0.145 0.000 2.496 429 W HA 0.779 5.571 4.660 0.220 0.000 0.327 429 W C -0.657 175.942 176.519 0.133 0.000 1.086 429 W CA -0.725 56.723 57.345 0.173 0.000 1.222 429 W CB 2.126 31.687 29.460 0.169 0.000 1.304 429 W HN 0.320 nan 8.180 nan 0.000 0.547 430 V N 5.821 126.007 119.914 0.453 0.000 2.409 430 V HA 0.473 4.734 4.120 0.235 0.000 0.291 430 V C 0.156 176.476 176.094 0.376 0.000 1.020 430 V CA -0.874 61.599 62.300 0.288 0.000 0.848 430 V CB 0.596 32.565 31.823 0.245 0.000 0.990 430 V HN 0.478 nan 8.190 nan 0.000 0.430 431 I N 0.041 120.725 120.570 0.190 0.000 3.170 431 I HA 0.757 5.068 4.170 0.235 0.000 0.312 431 I C -0.431 175.713 176.117 0.045 0.000 1.085 431 I CA -0.881 60.546 61.300 0.212 0.000 0.999 431 I CB 2.216 40.315 38.000 0.165 0.000 1.233 431 I HN 0.514 nan 8.210 nan 0.000 0.467 432 D N 0.842 121.300 120.400 0.097 0.000 2.746 432 D HA -0.187 4.594 4.640 0.235 0.000 0.236 432 D C -0.712 175.537 176.300 -0.085 0.000 1.129 432 D CA 0.899 54.909 54.000 0.017 0.000 0.691 432 D CB -1.592 39.213 40.800 0.008 0.000 1.077 432 D HN 0.404 nan 8.370 nan 0.000 0.432 433 F N -0.177 119.664 119.950 -0.182 0.000 2.496 433 F HA 0.285 4.960 4.527 0.248 0.000 0.344 433 F C -1.130 174.400 175.800 -0.451 0.000 1.155 433 F CA -1.433 56.271 58.000 -0.494 0.000 1.302 433 F CB -0.055 38.668 39.000 -0.461 0.000 1.159 433 F HN -0.152 nan 8.300 nan 0.000 0.595 434 P HA 0.049 nan 4.420 nan 0.000 0.273 434 P C 0.653 177.809 177.300 -0.241 0.000 1.250 434 P CA -0.202 62.759 63.100 -0.233 0.000 0.793 434 P CB 0.537 32.120 31.700 -0.194 0.000 1.011 435 M N -0.430 119.007 119.600 -0.272 0.000 2.193 435 M HA 0.099 4.720 4.480 0.235 0.000 0.265 435 M C 0.344 176.130 176.300 -0.858 0.000 1.071 435 M CA 1.717 56.656 55.300 -0.602 0.000 1.140 435 M CB -0.535 31.639 32.600 -0.711 0.000 1.369 435 M HN 0.287 nan 8.290 nan 0.000 0.423 436 F N -0.103 119.812 119.950 -0.059 0.000 2.640 436 F HA 0.388 5.058 4.527 0.239 0.000 0.324 436 F C -0.048 175.734 175.800 -0.030 0.000 1.077 436 F CA -1.198 56.776 58.000 -0.044 0.000 0.965 436 F CB 1.332 40.313 39.000 -0.031 0.000 1.351 436 F HN -0.025 nan 8.300 nan 0.000 0.487 437 E N -0.555 119.768 120.200 0.205 0.000 2.340 437 E HA 0.293 4.784 4.350 0.235 0.000 0.273 437 E C -1.963 174.701 176.600 0.107 0.000 0.891 437 E CA -1.111 55.364 56.400 0.124 0.000 0.757 437 E CB 2.230 31.984 29.700 0.089 0.000 1.231 437 E HN 0.395 nan 8.360 nan 0.000 0.439 438 D N 1.578 122.026 120.400 0.080 0.000 2.472 438 D HA -0.076 4.705 4.640 0.235 0.000 0.248 438 D C 0.405 176.733 176.300 0.047 0.000 1.174 438 D CA 0.299 54.331 54.000 0.053 0.000 0.883 438 D CB 0.945 41.771 40.800 0.045 0.000 1.149 438 D HN 0.676 nan 8.370 nan 0.000 0.488 439 D N 2.490 122.910 120.400 0.034 0.000 2.323 439 D HA 0.078 4.859 4.640 0.235 0.000 0.209 439 D C 1.439 177.752 176.300 0.021 0.000 0.973 439 D CA 0.881 54.899 54.000 0.029 0.000 0.874 439 D CB 0.054 40.867 40.800 0.022 0.000 0.930 439 D HN 0.549 nan 8.370 nan 0.000 0.521 440 G N -0.009 108.801 108.800 0.017 0.000 2.217 440 G HA2 -0.263 3.838 3.960 0.235 0.000 0.246 440 G HA3 -0.263 3.838 3.960 0.235 0.000 0.246 440 G C 0.745 175.648 174.900 0.006 0.000 0.990 440 G CA 0.308 45.416 45.100 0.012 0.000 0.627 440 G HN 0.362 nan 8.290 nan 0.000 0.522 441 E N 0.322 120.524 120.200 0.003 0.000 2.585 441 E HA 0.414 4.905 4.350 0.235 0.000 0.206 441 E C 1.642 178.239 176.600 -0.005 0.000 1.007 441 E CA 0.648 57.047 56.400 -0.001 0.000 1.028 441 E CB 0.165 29.863 29.700 -0.002 0.000 1.087 441 E HN 1.461 nan 8.360 nan 0.000 0.455 442 G N 0.414 109.210 108.800 -0.005 0.000 2.241 442 G HA2 -0.264 3.837 3.960 0.235 0.000 0.244 442 G HA3 -0.264 3.837 3.960 0.235 0.000 0.244 442 G C 0.732 175.621 174.900 -0.020 0.000 0.998 442 G CA 0.013 45.106 45.100 -0.011 0.000 0.621 442 G HN 0.549 nan 8.290 nan 0.000 0.519 443 G N -0.748 108.041 108.800 -0.020 0.000 2.641 443 G HA2 0.759 4.860 3.960 0.235 0.000 0.239 443 G HA3 0.759 4.860 3.960 0.235 0.000 0.239 443 G C -0.323 174.557 174.900 -0.035 0.000 1.402 443 G CA -0.595 44.484 45.100 -0.036 0.000 1.046 443 G HN 0.752 nan 8.290 nan 0.000 0.565 444 L N -1.398 119.794 121.223 -0.053 0.000 2.327 444 L HA 0.623 5.104 4.340 0.235 0.000 0.258 444 L C -0.401 176.495 176.870 0.042 0.000 1.024 444 L CA -0.747 54.077 54.840 -0.027 0.000 0.825 444 L CB 2.744 44.702 42.059 -0.168 0.000 1.386 444 L HN 0.452 nan 8.230 nan 0.000 0.417 445 T N 0.295 114.934 114.554 0.142 0.000 2.906 445 T HA 0.613 5.104 4.350 0.235 0.000 0.295 445 T C -0.563 174.293 174.700 0.260 0.000 1.061 445 T CA -0.543 61.653 62.100 0.159 0.000 1.000 445 T CB 1.973 70.893 68.868 0.087 0.000 1.103 445 T HN 0.628 nan 8.240 nan 0.000 0.486 446 A N 3.112 126.031 122.820 0.166 0.000 2.404 446 A HA 0.412 4.873 4.320 0.235 0.000 0.273 446 A C 1.557 179.097 177.584 -0.073 0.000 1.144 446 A CA -0.411 51.628 52.037 0.005 0.000 0.806 446 A CB -0.052 18.913 19.000 -0.059 0.000 1.080 446 A HN 0.907 nan 8.150 nan 0.000 0.509 447 M N 0.756 120.266 119.600 -0.150 0.000 2.084 447 M HA -0.173 4.448 4.480 0.235 0.000 0.259 447 M C 1.945 178.157 176.300 -0.146 0.000 1.072 447 M CA 2.421 57.642 55.300 -0.132 0.000 1.107 447 M CB -0.912 31.581 32.600 -0.179 0.000 1.299 447 M HN 1.106 nan 8.290 nan 0.000 0.413 448 H N -0.680 118.180 119.070 -0.350 0.000 2.306 448 H HA -0.007 4.679 4.556 0.216 0.000 0.307 448 H C -0.215 174.930 175.328 -0.305 0.000 1.061 448 H CA 1.939 57.730 56.048 -0.428 0.000 1.359 448 H CB 0.271 29.648 29.762 -0.642 0.000 1.407 448 H HN 0.551 nan 8.280 nan 0.000 0.517 449 H N -5.074 113.847 119.070 -0.248 0.000 2.961 449 H HA 0.157 4.846 4.556 0.222 0.000 0.278 449 H C -2.657 172.424 175.328 -0.411 0.000 1.338 449 H CA -1.281 54.577 56.048 -0.317 0.000 1.373 449 H CB -0.285 29.304 29.762 -0.288 0.000 1.915 449 H HN -0.058 nan 8.280 nan 0.000 0.500 450 P HA -0.090 nan 4.420 nan 0.000 0.234 450 P C -0.080 176.827 177.300 -0.655 0.000 1.162 450 P CA 1.072 63.839 63.100 -0.556 0.000 0.759 450 P CB -0.243 31.111 31.700 -0.576 0.000 0.813 451 F N -0.926 119.095 119.950 0.119 0.000 2.684 451 F HA 0.250 4.913 4.527 0.226 0.000 0.298 451 F C 0.826 176.684 175.800 0.096 0.000 1.120 451 F CA -0.475 57.515 58.000 -0.017 0.000 1.332 451 F CB -0.110 38.781 39.000 -0.181 0.000 0.986 451 F HN -0.300 nan 8.300 nan 0.000 0.524 452 T N 0.332 114.962 114.554 0.126 0.000 2.767 452 T HA 0.205 4.696 4.350 0.235 0.000 0.288 452 T C 0.143 174.771 174.700 -0.121 0.000 0.963 452 T CA -0.347 61.738 62.100 -0.025 0.000 1.019 452 T CB 1.392 70.143 68.868 -0.195 0.000 0.923 452 T HN 0.120 nan 8.240 nan 0.000 0.468 453 S N 4.204 119.829 115.700 -0.125 0.000 2.565 453 S HA 0.349 4.960 4.470 0.235 0.000 0.276 453 S C -2.396 172.123 174.600 -0.135 0.000 1.326 453 S CA -1.358 56.756 58.200 -0.143 0.000 1.045 453 S CB 0.239 63.337 63.200 -0.170 0.000 0.918 453 S HN 0.312 nan 8.310 nan 0.000 0.505 454 P HA 0.203 nan 4.420 nan 0.000 0.274 454 P C -1.078 176.180 177.300 -0.069 0.000 1.231 454 P CA -0.485 62.559 63.100 -0.094 0.000 0.790 454 P CB 0.376 32.040 31.700 -0.060 0.000 0.951 455 K N 2.735 123.103 120.400 -0.052 0.000 2.292 455 K HA 0.054 4.515 4.320 0.235 0.000 0.290 455 K C -0.680 175.906 176.600 -0.023 0.000 1.083 455 K CA -0.012 56.255 56.287 -0.033 0.000 0.918 455 K CB -0.534 31.953 32.500 -0.022 0.000 1.089 455 K HN 0.504 nan 8.250 nan 0.000 0.473 456 D N 3.382 123.769 120.400 -0.021 0.000 3.508 456 D HA -0.234 4.547 4.640 0.235 0.000 0.232 456 D C -0.660 175.634 176.300 -0.010 0.000 1.131 456 D CA 1.127 55.120 54.000 -0.012 0.000 1.040 456 D CB -0.507 40.290 40.800 -0.006 0.000 0.879 456 D HN 0.642 nan 8.370 nan 0.000 0.407 457 M N 0.165 119.758 119.600 -0.013 0.000 2.523 457 M HA 0.134 4.755 4.480 0.235 0.000 0.287 457 M C -0.902 175.394 176.300 -0.006 0.000 1.160 457 M CA -0.403 54.893 55.300 -0.006 0.000 0.902 457 M CB 2.143 34.741 32.600 -0.003 0.000 1.752 457 M HN -0.035 nan 8.290 nan 0.000 0.504 458 T N 1.693 116.247 114.554 0.000 0.000 2.909 458 T HA 0.433 4.924 4.350 0.235 0.000 0.286 458 T C 1.121 175.821 174.700 -0.000 0.000 1.002 458 T CA 0.267 62.367 62.100 0.000 0.000 1.074 458 T CB 1.630 70.500 68.868 0.003 0.000 0.984 458 T HN 0.748 nan 8.240 nan 0.000 0.495 459 A N 2.490 125.308 122.820 -0.005 0.000 1.958 459 A HA -0.117 4.344 4.320 0.235 0.000 0.221 459 A C 2.456 180.039 177.584 -0.002 0.000 1.178 459 A CA 2.212 54.245 52.037 -0.007 0.000 0.642 459 A CB -1.076 17.916 19.000 -0.014 0.000 0.816 459 A HN 0.941 nan 8.150 nan 0.000 0.453 460 A N -0.461 122.358 122.820 -0.001 0.000 1.898 460 A HA -0.126 4.335 4.320 0.235 0.000 0.216 460 A C 1.918 179.504 177.584 0.002 0.000 1.181 460 A CA 1.484 53.520 52.037 -0.001 0.000 0.620 460 A CB -0.460 18.540 19.000 -0.001 0.000 0.819 460 A HN 0.662 nan 8.150 nan 0.000 0.442 461 E N -0.306 119.897 120.200 0.005 0.000 2.106 461 E HA -0.113 4.378 4.350 0.235 0.000 0.192 461 E C 2.004 178.614 176.600 0.017 0.000 0.984 461 E CA 0.865 57.270 56.400 0.009 0.000 0.806 461 E CB -0.249 29.456 29.700 0.009 0.000 0.750 461 E HN 0.609 nan 8.360 nan 0.000 0.458 462 L N 1.385 122.623 121.223 0.024 0.000 1.994 462 L HA -0.181 4.300 4.340 0.235 0.000 0.208 462 L C 2.563 179.450 176.870 0.027 0.000 1.071 462 L CA 1.313 56.184 54.840 0.051 0.000 0.745 462 L CB -0.136 41.966 42.059 0.071 0.000 0.892 462 L HN 0.015 nan 8.230 nan 0.000 0.431 463 K N -0.521 119.882 120.400 0.005 0.000 2.442 463 K HA -0.184 4.277 4.320 0.235 0.000 0.199 463 K C 1.496 178.081 176.600 -0.025 0.000 1.044 463 K CA 1.111 57.385 56.287 -0.021 0.000 0.941 463 K CB 0.092 32.582 32.500 -0.017 0.000 0.759 463 K HN 0.456 nan 8.250 nan 0.000 0.472 464 A N -0.094 122.720 122.820 -0.010 0.000 1.984 464 A HA 0.338 4.799 4.320 0.235 0.000 0.203 464 A C 1.207 178.788 177.584 -0.006 0.000 1.292 464 A CA 0.511 52.542 52.037 -0.010 0.000 0.782 464 A CB 0.366 19.364 19.000 -0.003 0.000 0.924 464 A HN 0.218 nan 8.150 nan 0.000 0.475 465 A N 0.264 123.089 122.820 0.008 0.000 3.201 465 A HA 0.533 4.994 4.320 0.235 0.000 0.312 465 A C -1.314 176.296 177.584 0.043 0.000 1.011 465 A CA -0.789 51.258 52.037 0.018 0.000 0.987 465 A CB 0.189 19.202 19.000 0.021 0.000 1.060 465 A HN 0.290 nan 8.150 nan 0.000 0.505 466 P HA -0.203 nan 4.420 nan 0.000 0.214 466 P C 0.813 178.222 177.300 0.181 0.000 1.162 466 P CA 1.503 64.658 63.100 0.091 0.000 0.879 466 P CB 0.295 31.905 31.700 -0.150 0.000 0.786 467 E N 0.359 120.606 120.200 0.078 0.000 2.147 467 E HA -0.198 4.293 4.350 0.235 0.000 0.199 467 E C 1.932 178.597 176.600 0.108 0.000 1.005 467 E CA 1.730 58.189 56.400 0.098 0.000 0.810 467 E CB -0.998 28.728 29.700 0.044 0.000 0.736 467 E HN 0.527 nan 8.360 nan 0.000 0.460 468 N N 0.483 119.232 118.700 0.083 0.000 2.250 468 N HA 0.054 4.935 4.740 0.235 0.000 0.181 468 N C 0.383 175.930 175.510 0.061 0.000 1.017 468 N CA 0.242 53.330 53.050 0.063 0.000 0.866 468 N CB -0.112 38.402 38.487 0.045 0.000 0.985 468 N HN 0.081 nan 8.380 nan 0.000 0.429 469 A N 1.892 124.761 122.820 0.082 0.000 2.600 469 A HA -0.012 4.449 4.320 0.235 0.000 0.253 469 A C 0.178 177.758 177.584 -0.008 0.000 0.997 469 A CA 0.464 52.535 52.037 0.056 0.000 0.820 469 A CB -0.112 18.960 19.000 0.120 0.000 0.888 469 A HN 0.045 nan 8.150 nan 0.000 0.508 470 V N 3.586 123.484 119.914 -0.025 0.000 2.432 470 V HA 0.490 4.751 4.120 0.235 0.000 0.275 470 V C 0.959 177.004 176.094 -0.082 0.000 1.043 470 V CA 0.004 62.273 62.300 -0.051 0.000 0.925 470 V CB 0.834 32.643 31.823 -0.024 0.000 0.985 470 V HN 1.187 nan 8.190 nan 0.000 0.466 471 A N 3.846 126.593 122.820 -0.121 0.000 2.332 471 A HA 0.405 4.866 4.320 0.235 0.000 0.258 471 A C 0.564 178.097 177.584 -0.086 0.000 1.087 471 A CA -0.333 51.615 52.037 -0.149 0.000 0.802 471 A CB 0.069 18.939 19.000 -0.217 0.000 1.042 471 A HN 0.801 nan 8.150 nan 0.000 0.489 472 N N 0.371 119.016 118.700 -0.091 0.000 3.324 472 N HA 0.451 5.331 4.740 0.235 0.000 0.302 472 N C -0.516 174.969 175.510 -0.043 0.000 1.360 472 N CA 0.446 53.479 53.050 -0.027 0.000 1.190 472 N CB -0.177 38.295 38.487 -0.026 0.000 1.462 472 N HN 0.760 nan 8.380 nan 0.000 0.532 473 A N 1.338 124.101 122.820 -0.096 0.000 2.380 473 A HA 0.750 5.211 4.320 0.235 0.000 0.315 473 A C -1.505 176.001 177.584 -0.131 0.000 1.101 473 A CA -0.634 51.170 52.037 -0.388 0.000 0.771 473 A CB 0.893 19.561 19.000 -0.552 0.000 1.287 473 A HN 0.408 nan 8.150 nan 0.000 0.436 474 Y N -1.020 119.216 120.300 -0.106 0.000 2.544 474 Y HA 0.761 5.448 4.550 0.228 0.000 0.342 474 Y C -1.410 174.588 175.900 0.164 0.000 1.062 474 Y CA -1.550 56.634 58.100 0.140 0.000 1.023 474 Y CB 1.274 39.769 38.460 0.058 0.000 1.308 474 Y HN 0.463 nan 8.280 nan 0.000 0.457 475 D N 2.489 123.208 120.400 0.532 0.000 2.619 475 D HA 0.417 5.197 4.640 0.235 0.000 0.241 475 D C -1.209 175.309 176.300 0.363 0.000 1.087 475 D CA -0.552 53.649 54.000 0.335 0.000 0.851 475 D CB 2.305 43.252 40.800 0.243 0.000 1.474 475 D HN 0.785 nan 8.370 nan 0.000 0.478 476 M N 2.878 122.504 119.600 0.043 0.000 2.205 476 M HA 0.527 5.148 4.480 0.235 0.000 0.344 476 M C -1.335 174.891 176.300 -0.124 0.000 1.085 476 M CA -0.793 54.296 55.300 -0.352 0.000 1.001 476 M CB 1.096 33.312 32.600 -0.640 0.000 1.626 476 M HN 0.292 nan 8.290 nan 0.000 0.442 477 V N 5.082 124.909 119.914 -0.145 0.000 2.735 477 V HA 0.749 5.010 4.120 0.235 0.000 0.310 477 V C -1.334 174.665 176.094 -0.159 0.000 1.061 477 V CA -0.560 61.698 62.300 -0.071 0.000 0.913 477 V CB 2.131 33.944 31.823 -0.016 0.000 1.005 477 V HN 0.949 nan 8.190 nan 0.000 0.428 478 I N 3.597 124.126 120.570 -0.068 0.000 2.533 478 I HA 0.492 4.803 4.170 0.235 0.000 0.290 478 I C 0.427 176.593 176.117 0.080 0.000 1.056 478 I CA -0.746 60.498 61.300 -0.092 0.000 1.057 478 I CB 1.945 39.862 38.000 -0.138 0.000 1.240 478 I HN 0.939 nan 8.210 nan 0.000 0.423 479 N N 4.424 123.148 118.700 0.040 0.000 2.708 479 N HA -0.254 4.627 4.740 0.235 0.000 0.251 479 N C 0.976 176.536 175.510 0.083 0.000 1.017 479 N CA 0.560 53.655 53.050 0.076 0.000 0.742 479 N CB -0.594 37.993 38.487 0.166 0.000 0.943 479 N HN 1.187 nan 8.380 nan 0.000 0.539 480 G N -1.781 107.015 108.800 -0.007 0.000 2.205 480 G HA2 -0.370 3.730 3.960 0.235 0.000 0.261 480 G HA3 -0.370 3.730 3.960 0.235 0.000 0.261 480 G C -0.142 174.709 174.900 -0.080 0.000 0.980 480 G CA 0.420 45.471 45.100 -0.081 0.000 0.632 480 G HN 0.497 nan 8.290 nan 0.000 0.533 481 Y N 0.977 121.274 120.300 -0.005 0.000 2.313 481 Y HA 0.514 5.203 4.550 0.232 0.000 0.332 481 Y C 0.771 176.680 175.900 0.016 0.000 1.071 481 Y CA -0.602 57.509 58.100 0.019 0.000 1.169 481 Y CB 1.213 39.702 38.460 0.048 0.000 1.192 481 Y HN 0.134 nan 8.280 nan 0.000 0.487 482 E N 3.733 124.039 120.200 0.176 0.000 1.893 482 E HA 0.142 4.633 4.350 0.235 0.000 0.269 482 E C 0.285 176.974 176.600 0.147 0.000 1.129 482 E CA -0.154 56.320 56.400 0.124 0.000 0.904 482 E CB 0.532 30.289 29.700 0.095 0.000 1.077 482 E HN 0.734 nan 8.360 nan 0.000 0.407 483 V N 1.313 121.317 119.914 0.150 0.000 3.649 483 V HA 0.431 4.691 4.120 0.235 0.000 0.275 483 V C 0.598 176.840 176.094 0.247 0.000 1.281 483 V CA 0.532 62.947 62.300 0.192 0.000 1.143 483 V CB 0.226 32.167 31.823 0.196 0.000 0.892 483 V HN 0.441 nan 8.190 nan 0.000 0.441 484 G N -1.578 107.300 108.800 0.130 0.000 2.667 484 G HA2 0.640 4.741 3.960 0.235 0.000 0.294 484 G HA3 0.640 4.741 3.960 0.235 0.000 0.294 484 G C -0.819 174.066 174.900 -0.024 0.000 1.467 484 G CA -0.107 44.988 45.100 -0.008 0.000 0.852 484 G HN 0.819 nan 8.290 nan 0.000 0.521 485 G N -1.177 107.591 108.800 -0.053 0.000 2.733 485 G HA2 0.949 5.050 3.960 0.235 0.000 0.297 485 G HA3 0.949 5.050 3.960 0.235 0.000 0.297 485 G C -0.261 174.538 174.900 -0.168 0.000 1.422 485 G CA 0.392 45.439 45.100 -0.088 0.000 0.942 485 G HN 1.578 nan 8.290 nan 0.000 0.510 486 G N -0.830 107.631 108.800 -0.565 0.000 2.706 486 G HA2 1.005 5.106 3.960 0.235 0.000 0.307 486 G HA3 1.005 5.106 3.960 0.235 0.000 0.307 486 G C -0.597 173.456 174.900 -1.410 0.000 1.307 486 G CA 0.450 45.133 45.100 -0.695 0.000 0.790 486 G HN 2.119 nan 8.290 nan 0.000 0.503 487 S N -2.287 112.898 115.700 -0.858 0.000 2.683 487 S HA 0.464 5.075 4.470 0.235 0.000 0.278 487 S C -1.467 173.103 174.600 -0.051 0.000 1.059 487 S CA -0.581 57.270 58.200 -0.583 0.000 0.847 487 S CB 1.068 63.955 63.200 -0.520 0.000 1.078 487 S HN 1.210 nan 8.310 nan 0.000 0.456 488 V N 3.207 123.132 119.914 0.018 0.000 2.530 488 V HA 0.483 4.744 4.120 0.235 0.000 0.282 488 V C 0.431 176.466 176.094 -0.097 0.000 1.048 488 V CA -0.495 61.805 62.300 -0.001 0.000 0.997 488 V CB 0.783 32.605 31.823 -0.001 0.000 0.987 488 V HN 0.814 nan 8.190 nan 0.000 0.477 489 R N 4.077 124.454 120.500 -0.205 0.000 2.577 489 R HA 0.484 4.965 4.340 0.235 0.000 0.269 489 R C -0.341 175.774 176.300 -0.308 0.000 1.084 489 R CA -0.711 55.216 56.100 -0.289 0.000 1.163 489 R CB 0.662 30.543 30.300 -0.698 0.000 1.100 489 R HN 0.546 nan 8.270 nan 0.000 0.547 490 I N 3.394 123.849 120.570 -0.192 0.000 2.322 490 I HA 0.018 4.329 4.170 0.235 0.000 0.292 490 I C 0.575 176.658 176.117 -0.056 0.000 1.060 490 I CA -0.255 60.936 61.300 -0.181 0.000 1.309 490 I CB 0.272 38.205 38.000 -0.112 0.000 1.415 490 I HN 0.600 nan 8.210 nan 0.000 0.492 491 H N 4.162 123.242 119.070 0.017 0.000 2.539 491 H HA 0.399 5.095 4.556 0.235 0.000 0.293 491 H C -0.572 174.767 175.328 0.019 0.000 1.156 491 H CA -0.898 55.209 56.048 0.098 0.000 1.012 491 H CB -0.346 29.496 29.762 0.134 0.000 1.600 491 H HN 0.425 nan 8.280 nan 0.000 0.538 492 N N 0.515 119.332 118.700 0.196 0.000 2.599 492 N HA 0.152 5.033 4.740 0.235 0.000 0.283 492 N C 1.045 176.555 175.510 0.001 0.000 1.160 492 N CA 0.244 53.366 53.050 0.121 0.000 0.869 492 N CB 1.628 40.199 38.487 0.140 0.000 1.448 492 N HN 0.521 nan 8.380 nan 0.000 0.535 493 G N 2.023 110.810 108.800 -0.022 0.000 2.503 493 G HA2 -0.305 3.796 3.960 0.235 0.000 0.221 493 G HA3 -0.305 3.796 3.960 0.235 0.000 0.221 493 G C 1.054 175.910 174.900 -0.073 0.000 1.131 493 G CA 0.767 45.830 45.100 -0.061 0.000 0.756 493 G HN 0.634 nan 8.290 nan 0.000 0.572 494 D N 0.042 120.414 120.400 -0.046 0.000 2.092 494 D HA -0.140 4.641 4.640 0.235 0.000 0.193 494 D C 2.427 178.689 176.300 -0.063 0.000 0.994 494 D CA 1.446 55.421 54.000 -0.042 0.000 0.828 494 D CB -0.199 40.587 40.800 -0.022 0.000 0.963 494 D HN 0.240 nan 8.370 nan 0.000 0.450 495 M N 0.691 120.253 119.600 -0.063 0.000 2.080 495 M HA -0.201 4.420 4.480 0.235 0.000 0.260 495 M C 2.042 178.246 176.300 -0.161 0.000 1.068 495 M CA 1.624 56.873 55.300 -0.085 0.000 1.109 495 M CB -0.651 31.904 32.600 -0.076 0.000 1.342 495 M HN -0.126 nan 8.290 nan 0.000 0.405 496 Q N 0.028 119.692 119.800 -0.227 0.000 2.135 496 Q HA -0.209 4.272 4.340 0.235 0.000 0.204 496 Q C 2.069 177.686 176.000 -0.638 0.000 0.981 496 Q CA 2.175 57.697 55.803 -0.470 0.000 0.856 496 Q CB -0.330 28.143 28.738 -0.442 0.000 0.902 496 Q HN 0.743 nan 8.270 nan 0.000 0.425 497 Q N -1.339 118.270 119.800 -0.318 0.000 2.083 497 Q HA -0.100 4.381 4.340 0.235 0.000 0.198 497 Q C 1.960 177.918 176.000 -0.071 0.000 0.969 497 Q CA 1.731 57.447 55.803 -0.145 0.000 0.838 497 Q CB 0.069 28.791 28.738 -0.027 0.000 0.900 497 Q HN 0.441 nan 8.270 nan 0.000 0.436 498 T N 0.511 115.018 114.554 -0.077 0.000 2.720 498 T HA -0.143 4.348 4.350 0.235 0.000 0.268 498 T C 1.950 176.641 174.700 -0.016 0.000 1.037 498 T CA 1.359 63.439 62.100 -0.033 0.000 1.144 498 T CB -0.248 68.602 68.868 -0.029 0.000 0.864 498 T HN 0.051 nan 8.240 nan 0.000 0.444 499 V N 0.744 120.626 119.914 -0.052 0.000 2.244 499 V HA -0.107 4.154 4.120 0.235 0.000 0.244 499 V C 2.090 178.258 176.094 0.123 0.000 1.042 499 V CA 1.628 63.950 62.300 0.037 0.000 1.006 499 V CB -0.864 30.924 31.823 -0.059 0.000 0.641 499 V HN 0.522 nan 8.190 nan 0.000 0.446 500 F N 0.950 120.888 119.950 -0.020 0.000 2.115 500 F HA -0.243 4.422 4.527 0.231 0.000 0.300 500 F C 2.471 178.268 175.800 -0.005 0.000 1.092 500 F CA 1.043 59.036 58.000 -0.011 0.000 1.245 500 F CB -0.795 38.218 39.000 0.021 0.000 0.995 500 F HN 0.327 nan 8.300 nan 0.000 0.481 501 G N 0.782 109.691 108.800 0.182 0.000 2.453 501 G HA2 -0.243 3.858 3.960 0.235 0.000 0.215 501 G HA3 -0.243 3.858 3.960 0.235 0.000 0.215 501 G C 1.535 176.436 174.900 0.001 0.000 1.201 501 G CA 1.008 46.153 45.100 0.075 0.000 0.784 501 G HN 0.326 nan 8.290 nan 0.000 0.545 502 I N 0.621 121.157 120.570 -0.056 0.000 2.248 502 I HA -0.140 4.171 4.170 0.235 0.000 0.248 502 I C 2.109 178.099 176.117 -0.212 0.000 1.107 502 I CA 0.790 61.965 61.300 -0.208 0.000 1.373 502 I CB -0.176 37.574 38.000 -0.417 0.000 1.055 502 I HN 0.098 nan 8.210 nan 0.000 0.418 503 L N 0.911 122.089 121.223 -0.075 0.000 2.645 503 L HA 0.144 4.625 4.340 0.235 0.000 0.235 503 L C 1.418 178.291 176.870 0.005 0.000 1.150 503 L CA 0.276 55.110 54.840 -0.009 0.000 0.911 503 L CB -0.740 41.383 42.059 0.106 0.000 1.077 503 L HN 0.491 nan 8.230 nan 0.000 0.438 504 G N 1.136 109.930 108.800 -0.010 0.000 2.225 504 G HA2 -0.304 3.796 3.960 0.235 0.000 0.267 504 G HA3 -0.304 3.796 3.960 0.235 0.000 0.267 504 G C 0.211 175.121 174.900 0.016 0.000 1.024 504 G CA -0.011 45.088 45.100 -0.002 0.000 0.784 504 G HN 0.399 nan 8.290 nan 0.000 0.507 505 I N 1.970 122.566 120.570 0.044 0.000 2.301 505 I HA 0.165 4.476 4.170 0.235 0.000 0.292 505 I C 0.859 177.001 176.117 0.041 0.000 1.046 505 I CA -1.008 60.308 61.300 0.028 0.000 1.282 505 I CB 0.415 38.417 38.000 0.004 0.000 1.409 505 I HN 0.348 nan 8.210 nan 0.000 0.484 506 N N 5.225 123.935 118.700 0.017 0.000 2.371 506 N HA -0.072 4.809 4.740 0.235 0.000 0.243 506 N C 0.771 176.300 175.510 0.032 0.000 1.287 506 N CA -0.259 52.805 53.050 0.023 0.000 0.911 506 N CB 0.997 39.488 38.487 0.007 0.000 1.142 506 N HN 0.560 nan 8.380 nan 0.000 0.451 507 E N 0.329 120.554 120.200 0.040 0.000 2.049 507 E HA -0.295 4.196 4.350 0.235 0.000 0.198 507 E C 1.574 178.192 176.600 0.030 0.000 1.007 507 E CA 1.869 58.298 56.400 0.050 0.000 0.809 507 E CB -0.278 29.448 29.700 0.042 0.000 0.749 507 E HN 0.774 nan 8.360 nan 0.000 0.450 508 E N -0.458 119.749 120.200 0.012 0.000 2.086 508 E HA -0.293 4.198 4.350 0.235 0.000 0.200 508 E C 1.811 178.398 176.600 -0.022 0.000 1.012 508 E CA 1.685 58.084 56.400 -0.002 0.000 0.812 508 E CB -0.068 29.628 29.700 -0.008 0.000 0.743 508 E HN 0.214 nan 8.360 nan 0.000 0.453 509 E N 0.436 120.614 120.200 -0.037 0.000 2.072 509 E HA -0.143 4.348 4.350 0.235 0.000 0.190 509 E C 2.046 178.576 176.600 -0.117 0.000 0.982 509 E CA 0.958 57.304 56.400 -0.089 0.000 0.803 509 E CB -0.138 29.505 29.700 -0.094 0.000 0.755 509 E HN 0.309 nan 8.360 nan 0.000 0.453 510 Q N -0.129 119.645 119.800 -0.043 0.000 2.152 510 Q HA -0.176 4.305 4.340 0.235 0.000 0.206 510 Q C 1.971 177.999 176.000 0.048 0.000 0.985 510 Q CA 1.125 56.943 55.803 0.024 0.000 0.863 510 Q CB 0.004 28.850 28.738 0.180 0.000 0.904 510 Q HN 0.053 nan 8.270 nan 0.000 0.422 511 R N 0.125 120.640 120.500 0.025 0.000 2.093 511 R HA -0.021 4.460 4.340 0.235 0.000 0.224 511 R C 1.952 178.250 176.300 -0.003 0.000 1.101 511 R CA 0.693 56.811 56.100 0.030 0.000 0.979 511 R CB -0.236 30.083 30.300 0.032 0.000 0.877 511 R HN 0.250 nan 8.270 nan 0.000 0.441 512 E N 1.599 121.767 120.200 -0.052 0.000 2.076 512 E HA -0.129 4.362 4.350 0.235 0.000 0.190 512 E C 1.426 177.954 176.600 -0.121 0.000 0.979 512 E CA 1.289 57.648 56.400 -0.069 0.000 0.807 512 E CB 0.332 29.983 29.700 -0.081 0.000 0.761 512 E HN 0.454 nan 8.360 nan 0.000 0.454 513 K N -1.890 118.337 120.400 -0.288 0.000 2.348 513 K HA 0.097 4.557 4.320 0.235 0.000 0.194 513 K C 0.916 177.144 176.600 -0.620 0.000 1.052 513 K CA 0.334 56.310 56.287 -0.519 0.000 1.004 513 K CB 0.191 32.176 32.500 -0.858 0.000 0.873 513 K HN -0.073 nan 8.250 nan 0.000 0.523 514 F N 0.908 120.798 119.950 -0.100 0.000 2.772 514 F HA 0.409 5.076 4.527 0.233 0.000 0.316 514 F C 1.761 177.381 175.800 -0.301 0.000 1.114 514 F CA -0.928 56.910 58.000 -0.270 0.000 1.191 514 F CB 0.563 39.469 39.000 -0.158 0.000 1.065 514 F HN 0.085 nan 8.300 nan 0.000 0.534 515 G N 1.624 110.434 108.800 0.016 0.000 2.491 515 G HA2 -0.375 3.726 3.960 0.235 0.000 0.218 515 G HA3 -0.375 3.726 3.960 0.235 0.000 0.218 515 G C 1.692 176.606 174.900 0.024 0.000 1.180 515 G CA 1.564 46.698 45.100 0.057 0.000 0.774 515 G HN 0.448 nan 8.290 nan 0.000 0.562 516 F N 0.688 120.685 119.950 0.079 0.000 2.192 516 F HA -0.015 4.650 4.527 0.230 0.000 0.301 516 F C 2.106 177.941 175.800 0.058 0.000 1.079 516 F CA 1.247 59.277 58.000 0.050 0.000 1.303 516 F CB -0.732 38.267 39.000 -0.003 0.000 1.024 516 F HN 0.151 nan 8.300 nan 0.000 0.494 517 L N 0.774 121.519 121.223 -0.796 0.000 2.068 517 L HA 0.036 4.517 4.340 0.235 0.000 0.204 517 L C 2.128 178.915 176.870 -0.138 0.000 1.076 517 L CA 1.425 55.989 54.840 -0.460 0.000 0.753 517 L CB -0.787 40.909 42.059 -0.606 0.000 0.910 517 L HN 0.259 nan 8.230 nan 0.000 0.439 518 L N -0.297 120.887 121.223 -0.065 0.000 2.127 518 L HA -0.209 4.272 4.340 0.235 0.000 0.211 518 L C 2.056 178.930 176.870 0.007 0.000 1.089 518 L CA 1.317 56.162 54.840 0.009 0.000 0.757 518 L CB -0.794 41.318 42.059 0.087 0.000 0.899 518 L HN 0.377 nan 8.230 nan 0.000 0.434 519 D N 0.002 120.429 120.400 0.045 0.000 2.162 519 D HA -0.063 4.718 4.640 0.235 0.000 0.203 519 D C 2.236 178.632 176.300 0.160 0.000 0.967 519 D CA 1.275 55.333 54.000 0.097 0.000 0.840 519 D CB 0.074 40.980 40.800 0.177 0.000 0.972 519 D HN 0.252 nan 8.370 nan 0.000 0.482 520 A N 0.934 123.860 122.820 0.177 0.000 2.019 520 A HA -0.082 4.379 4.320 0.235 0.000 0.219 520 A C 2.227 179.891 177.584 0.133 0.000 1.164 520 A CA 0.661 52.840 52.037 0.238 0.000 0.644 520 A CB -0.732 18.357 19.000 0.147 0.000 0.805 520 A HN 0.197 nan 8.150 nan 0.000 0.449 521 L N -1.027 120.209 121.223 0.022 0.000 2.551 521 L HA -0.088 4.393 4.340 0.235 0.000 0.228 521 L C 1.878 178.687 176.870 -0.102 0.000 1.153 521 L CA 0.850 55.677 54.840 -0.020 0.000 0.851 521 L CB -0.197 41.847 42.059 -0.025 0.000 0.959 521 L HN 0.353 nan 8.230 nan 0.000 0.451 522 K N -0.842 119.414 120.400 -0.241 0.000 2.426 522 K HA 0.004 4.465 4.320 0.235 0.000 0.193 522 K C 0.013 176.202 176.600 -0.684 0.000 1.028 522 K CA 0.463 56.446 56.287 -0.507 0.000 1.047 522 K CB 0.265 32.328 32.500 -0.730 0.000 0.821 522 K HN 0.243 nan 8.250 nan 0.000 0.513 523 Y N 0.700 120.993 120.300 -0.013 0.000 2.839 523 Y HA 0.271 4.961 4.550 0.233 0.000 0.361 523 Y C 0.687 176.571 175.900 -0.025 0.000 1.008 523 Y CA -0.665 57.426 58.100 -0.015 0.000 1.534 523 Y CB 0.695 39.148 38.460 -0.011 0.000 1.395 523 Y HN 0.116 nan 8.280 nan 0.000 0.534 524 G N 1.358 110.171 108.800 0.023 0.000 2.368 524 G HA2 -0.273 3.828 3.960 0.235 0.000 0.290 524 G HA3 -0.273 3.828 3.960 0.235 0.000 0.290 524 G C 0.068 174.957 174.900 -0.018 0.000 1.098 524 G CA 0.192 45.296 45.100 0.005 0.000 1.073 524 G HN 0.562 nan 8.290 nan 0.000 0.511 525 T N 0.335 114.857 114.554 -0.053 0.000 2.851 525 T HA 0.653 5.144 4.350 0.235 0.000 0.298 525 T C -0.920 173.681 174.700 -0.166 0.000 0.977 525 T CA -0.715 61.327 62.100 -0.098 0.000 1.126 525 T CB 1.977 70.811 68.868 -0.056 0.000 0.916 525 T HN 0.386 nan 8.240 nan 0.000 0.529 526 P HA 0.400 nan 4.420 nan 0.000 0.276 526 P C -2.923 174.213 177.300 -0.272 0.000 1.261 526 P CA -1.988 60.862 63.100 -0.418 0.000 0.800 526 P CB -0.271 30.972 31.700 -0.761 0.000 1.066 527 P HA 0.193 nan 4.420 nan 0.000 0.281 527 P C -0.575 176.777 177.300 0.086 0.000 1.252 527 P CA 0.542 63.753 63.100 0.185 0.000 0.778 527 P CB 0.146 31.927 31.700 0.135 0.000 0.895 528 H N 1.252 120.321 119.070 -0.000 0.000 2.961 528 H HA 0.886 5.582 4.556 0.232 0.000 0.371 528 H C -1.699 173.666 175.328 0.062 0.000 1.190 528 H CA -1.485 54.562 56.048 -0.002 0.000 1.138 528 H CB 1.398 31.155 29.762 -0.009 0.000 1.816 528 H HN 0.445 nan 8.280 nan 0.000 0.551 529 A N 0.783 123.682 122.820 0.132 0.000 2.594 529 A HA 0.827 5.287 4.320 0.235 0.000 0.295 529 A C -0.588 177.126 177.584 0.217 0.000 1.071 529 A CA -0.179 51.928 52.037 0.117 0.000 0.685 529 A CB 1.927 21.004 19.000 0.128 0.000 1.285 529 A HN 1.274 nan 8.150 nan 0.000 0.405 530 G N -0.874 108.068 108.800 0.236 0.000 2.706 530 G HA2 0.795 4.896 3.960 0.235 0.000 0.307 530 G HA3 0.795 4.896 3.960 0.235 0.000 0.307 530 G C -1.585 173.464 174.900 0.249 0.000 1.307 530 G CA 0.049 45.316 45.100 0.278 0.000 0.790 530 G HN 1.871 nan 8.290 nan 0.000 0.503 531 L N -1.492 119.857 121.223 0.210 0.000 2.724 531 L HA 0.766 5.247 4.340 0.235 0.000 0.258 531 L C -1.548 175.347 176.870 0.042 0.000 0.967 531 L CA -0.827 54.077 54.840 0.106 0.000 0.891 531 L CB 1.760 43.891 42.059 0.120 0.000 1.456 531 L HN 1.411 nan 8.230 nan 0.000 0.416 532 A N 2.397 125.207 122.820 -0.017 0.000 2.374 532 A HA 0.797 5.258 4.320 0.235 0.000 0.305 532 A C -1.557 175.991 177.584 -0.060 0.000 1.053 532 A CA -0.363 51.692 52.037 0.030 0.000 0.726 532 A CB 1.023 20.120 19.000 0.161 0.000 1.229 532 A HN 0.518 nan 8.150 nan 0.000 0.431 533 F N 0.882 120.918 119.950 0.143 0.000 2.378 533 F HA 0.545 5.174 4.527 0.169 0.000 0.325 533 F C 1.349 177.236 175.800 0.144 0.000 1.097 533 F CA -0.009 58.063 58.000 0.120 0.000 1.079 533 F CB 1.686 40.733 39.000 0.079 0.000 1.240 533 F HN 0.628 nan 8.300 nan 0.000 0.519 534 G N 2.227 111.236 108.800 0.347 0.000 2.457 534 G HA2 0.331 4.432 3.960 0.235 0.000 0.316 534 G HA3 0.331 4.432 3.960 0.235 0.000 0.316 534 G C 0.573 175.604 174.900 0.219 0.000 1.030 534 G CA -0.315 44.951 45.100 0.276 0.000 1.073 534 G HN 0.708 nan 8.290 nan 0.000 0.430 535 L N 2.282 123.624 121.223 0.199 0.000 2.042 535 L HA -0.107 4.374 4.340 0.235 0.000 0.210 535 L C 2.120 179.026 176.870 0.059 0.000 1.076 535 L CA 2.095 56.997 54.840 0.104 0.000 0.749 535 L CB -0.230 41.877 42.059 0.079 0.000 0.893 535 L HN 0.508 nan 8.230 nan 0.000 0.432 536 D N -0.304 120.148 120.400 0.086 0.000 2.103 536 D HA -0.247 4.534 4.640 0.235 0.000 0.190 536 D C 2.182 178.484 176.300 0.004 0.000 0.997 536 D CA 1.879 55.906 54.000 0.046 0.000 0.833 536 D CB -0.247 40.600 40.800 0.078 0.000 0.961 536 D HN 0.432 nan 8.370 nan 0.000 0.447 537 R N 0.009 120.521 120.500 0.019 0.000 2.105 537 R HA -0.120 4.361 4.340 0.235 0.000 0.239 537 R C 2.332 178.592 176.300 -0.067 0.000 1.135 537 R CA 0.473 56.544 56.100 -0.047 0.000 0.967 537 R CB -0.317 29.996 30.300 0.021 0.000 0.861 537 R HN 0.118 nan 8.270 nan 0.000 0.442 538 L N 0.417 121.643 121.223 0.005 0.000 2.131 538 L HA -0.119 4.361 4.340 0.235 0.000 0.210 538 L C 1.969 178.778 176.870 -0.102 0.000 1.092 538 L CA 1.846 56.691 54.840 0.008 0.000 0.759 538 L CB -0.633 41.422 42.059 -0.008 0.000 0.903 538 L HN 0.142 nan 8.230 nan 0.000 0.435 539 T N -1.446 113.046 114.554 -0.102 0.000 2.896 539 T HA -0.117 4.374 4.350 0.235 0.000 0.263 539 T C 1.947 176.569 174.700 -0.131 0.000 1.050 539 T CA 1.090 63.108 62.100 -0.136 0.000 1.140 539 T CB -0.070 68.740 68.868 -0.097 0.000 0.877 539 T HN 0.201 nan 8.240 nan 0.000 0.457 540 M N 0.785 120.314 119.600 -0.117 0.000 2.073 540 M HA -0.072 4.549 4.480 0.235 0.000 0.258 540 M C 2.180 178.412 176.300 -0.113 0.000 1.070 540 M CA 1.789 57.013 55.300 -0.126 0.000 1.103 540 M CB -0.706 31.780 32.600 -0.189 0.000 1.321 540 M HN 0.182 nan 8.290 nan 0.000 0.405 541 L N -0.330 120.827 121.223 -0.110 0.000 2.083 541 L HA -0.189 4.292 4.340 0.235 0.000 0.209 541 L C 2.198 179.116 176.870 0.081 0.000 1.083 541 L CA 0.988 55.880 54.840 0.087 0.000 0.752 541 L CB -0.495 41.740 42.059 0.292 0.000 0.899 541 L HN 0.342 nan 8.230 nan 0.000 0.433 542 L N -0.939 120.157 121.223 -0.212 0.000 2.418 542 L HA -0.039 4.442 4.340 0.235 0.000 0.218 542 L C 2.147 178.893 176.870 -0.207 0.000 1.125 542 L CA 1.047 55.647 54.840 -0.400 0.000 0.835 542 L CB -0.347 41.321 42.059 -0.651 0.000 0.953 542 L HN 0.360 nan 8.230 nan 0.000 0.454 543 T N -4.730 109.747 114.554 -0.129 0.000 3.054 543 T HA 0.289 4.780 4.350 0.235 0.000 0.255 543 T C 1.363 176.036 174.700 -0.046 0.000 1.035 543 T CA 0.337 62.382 62.100 -0.091 0.000 0.941 543 T CB 0.723 69.536 68.868 -0.092 0.000 1.026 543 T HN 0.315 nan 8.240 nan 0.000 0.533 544 G N 1.255 110.046 108.800 -0.014 0.000 2.147 544 G HA2 -0.243 3.858 3.960 0.235 0.000 0.244 544 G HA3 -0.243 3.858 3.960 0.235 0.000 0.244 544 G C 0.128 175.024 174.900 -0.007 0.000 1.005 544 G CA 0.326 45.428 45.100 0.003 0.000 0.713 544 G HN 0.717 nan 8.290 nan 0.000 0.515 545 T N -0.362 114.181 114.554 -0.018 0.000 2.884 545 T HA 0.556 5.047 4.350 0.235 0.000 0.277 545 T C 0.873 175.584 174.700 0.018 0.000 0.976 545 T CA 0.359 62.456 62.100 -0.006 0.000 0.956 545 T CB 1.242 70.100 68.868 -0.015 0.000 1.113 545 T HN 0.417 nan 8.240 nan 0.000 0.554 546 D N -1.611 118.820 120.400 0.051 0.000 2.562 546 D HA 0.121 4.902 4.640 0.235 0.000 0.246 546 D C -0.205 176.164 176.300 0.115 0.000 1.347 546 D CA -0.417 53.661 54.000 0.129 0.000 0.800 546 D CB 0.133 41.005 40.800 0.121 0.000 1.111 546 D HN 0.189 nan 8.370 nan 0.000 0.508 547 N N 1.383 120.120 118.700 0.062 0.000 2.483 547 N HA 0.212 5.093 4.740 0.235 0.000 0.267 547 N C 0.420 175.950 175.510 0.035 0.000 0.998 547 N CA -0.519 52.562 53.050 0.051 0.000 0.918 547 N CB 1.580 40.086 38.487 0.030 0.000 1.215 547 N HN 0.142 nan 8.380 nan 0.000 0.500 548 I N 4.171 124.769 120.570 0.048 0.000 2.264 548 I HA -0.274 4.037 4.170 0.235 0.000 0.248 548 I C 2.233 178.362 176.117 0.020 0.000 1.111 548 I CA 1.324 62.643 61.300 0.032 0.000 1.382 548 I CB 0.231 38.257 38.000 0.044 0.000 1.060 548 I HN 0.579 nan 8.210 nan 0.000 0.418 549 R N -0.211 120.303 120.500 0.024 0.000 2.293 549 R HA -0.158 4.323 4.340 0.235 0.000 0.219 549 R C 1.175 177.470 176.300 -0.008 0.000 1.091 549 R CA 1.485 57.594 56.100 0.015 0.000 1.004 549 R CB -0.667 29.647 30.300 0.024 0.000 0.865 549 R HN 0.290 nan 8.270 nan 0.000 0.469 550 D N 0.938 121.331 120.400 -0.011 0.000 2.348 550 D HA -0.055 4.726 4.640 0.235 0.000 0.216 550 D C 1.480 177.753 176.300 -0.044 0.000 0.970 550 D CA 0.996 54.980 54.000 -0.028 0.000 0.889 550 D CB 0.663 41.450 40.800 -0.021 0.000 0.912 550 D HN 0.336 nan 8.370 nan 0.000 0.524 551 V N -2.299 117.592 119.914 -0.039 0.000 3.477 551 V HA 0.358 4.619 4.120 0.235 0.000 0.297 551 V C 0.518 176.584 176.094 -0.047 0.000 1.433 551 V CA -0.333 61.938 62.300 -0.049 0.000 1.052 551 V CB 0.046 31.841 31.823 -0.047 0.000 0.895 551 V HN -0.134 nan 8.190 nan 0.000 0.438 552 I N 1.543 122.088 120.570 -0.040 0.000 2.339 552 I HA 0.630 4.941 4.170 0.235 0.000 0.290 552 I C 1.698 177.756 176.117 -0.098 0.000 0.994 552 I CA -0.085 61.195 61.300 -0.034 0.000 1.191 552 I CB 1.777 39.784 38.000 0.012 0.000 1.343 552 I HN 0.123 nan 8.210 nan 0.000 0.458 553 A N 6.583 129.308 122.820 -0.158 0.000 1.884 553 A HA -0.145 4.316 4.320 0.235 0.000 0.219 553 A C 0.736 177.934 177.584 -0.643 0.000 1.197 553 A CA 1.840 53.627 52.037 -0.417 0.000 0.637 553 A CB -0.266 18.472 19.000 -0.436 0.000 0.827 553 A HN 0.581 nan 8.150 nan 0.000 0.450 554 F N -0.074 119.888 119.950 0.020 0.000 2.564 554 F HA 0.413 5.079 4.527 0.232 0.000 0.361 554 F C -2.527 173.286 175.800 0.022 0.000 1.161 554 F CA -2.793 55.221 58.000 0.024 0.000 1.198 554 F CB 0.856 39.872 39.000 0.026 0.000 1.424 554 F HN -0.002 nan 8.300 nan 0.000 0.517 555 P HA 0.331 nan 4.420 nan 0.000 0.275 555 P C -0.565 176.796 177.300 0.101 0.000 1.266 555 P CA -0.575 62.582 63.100 0.096 0.000 0.793 555 P CB 1.137 32.870 31.700 0.055 0.000 1.074 556 K N -0.680 119.770 120.400 0.083 0.000 2.295 556 K HA 0.514 4.975 4.320 0.235 0.000 0.239 556 K C 0.003 176.640 176.600 0.062 0.000 0.991 556 K CA -0.729 55.602 56.287 0.074 0.000 0.845 556 K CB 1.396 33.944 32.500 0.079 0.000 1.197 556 K HN 0.495 nan 8.250 nan 0.000 0.441 557 T N -2.348 112.237 114.554 0.052 0.000 2.816 557 T HA 0.019 4.510 4.350 0.235 0.000 0.282 557 T C 1.425 176.154 174.700 0.048 0.000 0.993 557 T CA -0.393 61.734 62.100 0.044 0.000 0.994 557 T CB 0.869 69.757 68.868 0.033 0.000 1.025 557 T HN 0.729 nan 8.240 nan 0.000 0.529 558 T N -2.275 112.303 114.554 0.041 0.000 3.052 558 T HA 0.044 4.534 4.350 0.235 0.000 0.270 558 T C 1.425 176.150 174.700 0.042 0.000 1.147 558 T CA 0.504 62.628 62.100 0.041 0.000 1.089 558 T CB -0.546 68.341 68.868 0.032 0.000 0.875 558 T HN 0.869 nan 8.240 nan 0.000 0.541 559 A N 0.199 123.043 122.820 0.040 0.000 2.574 559 A HA 0.810 5.271 4.320 0.235 0.000 0.283 559 A C 1.489 179.103 177.584 0.050 0.000 1.270 559 A CA 0.253 52.313 52.037 0.039 0.000 0.945 559 A CB -0.636 18.379 19.000 0.026 0.000 1.127 559 A HN 1.408 nan 8.150 nan 0.000 0.522 560 A N -1.887 120.973 122.820 0.067 0.000 2.832 560 A HA 0.064 4.525 4.320 0.235 0.000 0.280 560 A C 0.796 178.416 177.584 0.060 0.000 1.464 560 A CA 1.199 53.288 52.037 0.087 0.000 0.804 560 A CB -2.087 16.991 19.000 0.131 0.000 1.020 560 A HN 2.173 nan 8.150 nan 0.000 0.563 561 A N -1.592 121.252 122.820 0.041 0.000 2.299 561 A HA 0.698 5.159 4.320 0.235 0.000 0.332 561 A C 0.244 177.843 177.584 0.024 0.000 1.131 561 A CA 0.124 52.173 52.037 0.020 0.000 0.844 561 A CB 1.375 20.378 19.000 0.005 0.000 1.251 561 A HN 1.806 nan 8.150 nan 0.000 0.486 562 C N 3.236 122.541 119.300 0.009 0.000 2.301 562 C HA 0.467 5.068 4.460 0.235 0.000 0.313 562 C C 1.240 176.228 174.990 -0.004 0.000 1.121 562 C CA -0.697 58.330 59.018 0.015 0.000 1.507 562 C CB -1.555 26.187 27.740 0.003 0.000 1.975 562 C HN 0.741 nan 8.230 nan 0.000 0.425 563 L N 4.694 125.917 121.223 -0.001 0.000 2.042 563 L HA -0.154 4.327 4.340 0.235 0.000 0.210 563 L C 2.418 179.252 176.870 -0.060 0.000 1.076 563 L CA 1.891 56.713 54.840 -0.029 0.000 0.749 563 L CB -1.207 40.834 42.059 -0.029 0.000 0.893 563 L HN 0.778 nan 8.230 nan 0.000 0.432 564 M N -0.219 119.358 119.600 -0.038 0.000 2.202 564 M HA -0.196 4.425 4.480 0.235 0.000 0.262 564 M C 1.528 177.801 176.300 -0.045 0.000 1.063 564 M CA 2.158 57.433 55.300 -0.041 0.000 1.097 564 M CB -0.101 32.547 32.600 0.081 0.000 1.382 564 M HN 0.467 nan 8.290 nan 0.000 0.413 565 T N -3.607 110.916 114.554 -0.051 0.000 3.040 565 T HA 0.235 4.726 4.350 0.235 0.000 0.266 565 T C -0.154 174.515 174.700 -0.052 0.000 1.005 565 T CA -0.259 61.804 62.100 -0.062 0.000 0.906 565 T CB -0.103 68.712 68.868 -0.088 0.000 1.082 565 T HN 0.564 nan 8.240 nan 0.000 0.531 566 E N 0.946 121.118 120.200 -0.047 0.000 2.369 566 E HA -0.097 4.393 4.350 0.235 0.000 0.165 566 E C -0.223 176.348 176.600 -0.049 0.000 1.622 566 E CA 0.274 56.648 56.400 -0.043 0.000 0.660 566 E CB -1.764 27.915 29.700 -0.035 0.000 1.085 566 E HN 0.824 nan 8.360 nan 0.000 0.346 567 A N 2.142 124.933 122.820 -0.047 0.000 2.475 567 A HA 0.765 5.226 4.320 0.235 0.000 0.301 567 A C -2.326 175.231 177.584 -0.046 0.000 1.059 567 A CA -1.393 50.613 52.037 -0.052 0.000 0.710 567 A CB 1.464 20.436 19.000 -0.047 0.000 1.288 567 A HN 0.100 nan 8.150 nan 0.000 0.408 568 P HA 0.352 nan 4.420 nan 0.000 0.272 568 P C -0.381 176.847 177.300 -0.120 0.000 1.254 568 P CA 0.072 63.128 63.100 -0.073 0.000 0.795 568 P CB 0.758 32.420 31.700 -0.062 0.000 1.022 569 S N -1.210 114.418 115.700 -0.120 0.000 2.588 569 S HA 0.465 5.076 4.470 0.235 0.000 0.275 569 S C -0.519 174.017 174.600 -0.106 0.000 1.130 569 S CA -0.496 57.622 58.200 -0.137 0.000 0.855 569 S CB 0.722 63.898 63.200 -0.040 0.000 1.116 569 S HN 0.286 nan 8.310 nan 0.000 0.472 570 F N 1.849 121.805 119.950 0.011 0.000 2.572 570 F HA 0.391 5.060 4.527 0.236 0.000 0.370 570 F C 1.129 176.934 175.800 0.009 0.000 1.103 570 F CA -0.017 57.990 58.000 0.013 0.000 1.286 570 F CB 0.446 39.453 39.000 0.011 0.000 1.105 570 F HN 0.680 nan 8.300 nan 0.000 0.583 571 A N 3.662 126.618 122.820 0.228 0.000 2.279 571 A HA 0.228 4.689 4.320 0.235 0.000 0.303 571 A C -0.059 177.581 177.584 0.094 0.000 1.108 571 A CA -0.837 51.273 52.037 0.121 0.000 0.830 571 A CB 0.426 19.480 19.000 0.091 0.000 1.106 571 A HN 0.754 nan 8.150 nan 0.000 0.493 572 N N 1.104 119.838 118.700 0.057 0.000 2.483 572 N HA 0.090 4.971 4.740 0.235 0.000 0.264 572 N C -1.849 173.675 175.510 0.025 0.000 1.197 572 N CA -1.312 51.758 53.050 0.034 0.000 0.927 572 N CB 1.092 39.591 38.487 0.021 0.000 1.065 572 N HN 0.165 nan 8.380 nan 0.000 0.461 573 P HA -0.164 nan 4.420 nan 0.000 0.217 573 P C 1.175 178.479 177.300 0.005 0.000 1.151 573 P CA 1.979 65.084 63.100 0.007 0.000 0.849 573 P CB 0.084 31.782 31.700 -0.005 0.000 0.787 574 T N -3.678 110.878 114.554 0.002 0.000 2.942 574 T HA 0.066 4.557 4.350 0.235 0.000 0.265 574 T C 1.899 176.598 174.700 -0.001 0.000 1.062 574 T CA 0.887 62.986 62.100 -0.001 0.000 1.139 574 T CB -1.054 67.811 68.868 -0.004 0.000 0.883 574 T HN -0.011 nan 8.240 nan 0.000 0.468 575 A N 2.155 124.977 122.820 0.004 0.000 1.883 575 A HA 0.121 4.582 4.320 0.235 0.000 0.217 575 A C 2.423 180.008 177.584 0.002 0.000 1.186 575 A CA 1.430 53.469 52.037 0.003 0.000 0.624 575 A CB -0.959 18.047 19.000 0.010 0.000 0.822 575 A HN 0.550 nan 8.150 nan 0.000 0.444 576 L N -0.952 120.278 121.223 0.012 0.000 2.275 576 L HA -0.142 4.339 4.340 0.235 0.000 0.215 576 L C 3.013 179.885 176.870 0.002 0.000 1.119 576 L CA 0.718 55.566 54.840 0.014 0.000 0.790 576 L CB -0.727 41.350 42.059 0.030 0.000 0.919 576 L HN 0.476 nan 8.230 nan 0.000 0.443 577 A N 1.540 124.359 122.820 -0.001 0.000 1.845 577 A HA -0.231 4.230 4.320 0.235 0.000 0.215 577 A C 2.125 179.699 177.584 -0.016 0.000 1.195 577 A CA 1.795 53.828 52.037 -0.007 0.000 0.616 577 A CB -0.584 18.411 19.000 -0.007 0.000 0.832 577 A HN 0.612 nan 8.150 nan 0.000 0.443 578 E N -0.689 119.499 120.200 -0.019 0.000 2.472 578 E HA -0.071 4.420 4.350 0.235 0.000 0.200 578 E C 0.868 177.444 176.600 -0.041 0.000 1.046 578 E CA 0.724 57.106 56.400 -0.029 0.000 0.871 578 E CB -0.202 29.482 29.700 -0.027 0.000 0.806 578 E HN 0.405 nan 8.360 nan 0.000 0.533 579 L N 0.665 121.864 121.223 -0.040 0.000 2.607 579 L HA 0.174 4.655 4.340 0.235 0.000 0.228 579 L C 0.281 177.104 176.870 -0.078 0.000 1.123 579 L CA 0.260 55.059 54.840 -0.068 0.000 0.890 579 L CB 0.066 42.091 42.059 -0.055 0.000 1.103 579 L HN -0.041 nan 8.230 nan 0.000 0.468 580 S N 0.654 116.327 115.700 -0.045 0.000 3.614 580 S HA -0.186 4.425 4.470 0.235 0.000 0.360 580 S C 0.250 174.844 174.600 -0.010 0.000 1.023 580 S CA 1.236 59.418 58.200 -0.030 0.000 1.114 580 S CB -1.980 61.195 63.200 -0.042 0.000 0.907 580 S HN 0.547 nan 8.310 nan 0.000 0.470 581 I N -2.032 118.541 120.570 0.006 0.000 2.969 581 I HA 0.803 5.114 4.170 0.235 0.000 0.307 581 I C -0.675 175.471 176.117 0.047 0.000 1.149 581 I CA -1.217 60.111 61.300 0.046 0.000 1.008 581 I CB 2.194 40.239 38.000 0.075 0.000 1.232 581 I HN 0.166 nan 8.210 nan 0.000 0.435 582 Q N 2.512 122.348 119.800 0.061 0.000 2.340 582 Q HA 0.611 5.091 4.340 0.235 0.000 0.276 582 Q C -1.707 174.330 176.000 0.062 0.000 1.048 582 Q CA -1.030 54.804 55.803 0.051 0.000 0.832 582 Q CB 2.520 31.280 28.738 0.036 0.000 1.373 582 Q HN 0.552 nan 8.270 nan 0.000 0.409 583 V N 1.915 121.866 119.914 0.062 0.000 2.740 583 V HA 0.142 4.402 4.120 0.235 0.000 0.303 583 V C 0.628 176.754 176.094 0.053 0.000 1.054 583 V CA -0.414 61.928 62.300 0.070 0.000 1.106 583 V CB 1.036 32.910 31.823 0.085 0.000 0.957 583 V HN 0.649 nan 8.190 nan 0.000 0.486 584 V N 3.507 123.452 119.914 0.052 0.000 2.530 584 V HA 0.442 4.703 4.120 0.235 0.000 0.282 584 V C 0.353 176.468 176.094 0.035 0.000 1.048 584 V CA -0.886 61.438 62.300 0.039 0.000 0.997 584 V CB 0.549 32.392 31.823 0.034 0.000 0.987 584 V HN 0.967 nan 8.190 nan 0.000 0.477 585 K N 0.000 120.415 120.400 0.026 0.000 2.780 585 K HA 0.000 4.461 4.320 0.235 0.000 0.191 585 K CA 0.000 56.299 56.287 0.020 0.000 0.838 585 K CB 0.000 32.508 32.500 0.013 0.000 1.064 585 K HN 0.000 nan 8.250 nan 0.000 0.543