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 2wii_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREFKXXKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NPRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQ 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.539 174.600 -0.102 0.000 1.055 1 S CA 0.000 58.168 58.200 -0.054 0.000 1.107 1 S CB 0.000 63.175 63.200 -0.041 0.000 0.593 2 P HA 0.349 nan 4.420 nan 0.000 0.271 2 P C -0.911 176.114 177.300 -0.459 0.000 1.220 2 P CA 0.282 63.181 63.100 -0.335 0.000 0.768 2 P CB 0.438 31.909 31.700 -0.382 0.000 0.848 3 M N 4.153 123.479 119.600 -0.457 0.000 2.190 3 M HA 0.356 4.849 4.480 0.023 0.000 0.312 3 M C -1.547 174.457 176.300 -0.494 0.000 0.990 3 M CA -0.779 54.308 55.300 -0.354 0.000 0.927 3 M CB 0.955 33.515 32.600 -0.066 0.000 1.571 3 M HN 0.248 nan 8.290 nan 0.000 0.427 4 Y N 2.649 122.777 120.300 -0.287 0.000 2.341 4 Y HA 0.488 5.052 4.550 0.023 0.000 0.340 4 Y C 0.444 176.024 175.900 -0.533 0.000 0.997 4 Y CA -0.490 57.191 58.100 -0.698 0.000 1.149 4 Y CB 1.118 38.770 38.460 -1.346 0.000 1.171 4 Y HN 0.623 nan 8.280 nan 0.000 0.494 5 S N 4.379 119.929 115.700 -0.249 0.000 2.600 5 S HA 0.914 5.398 4.470 0.023 0.000 0.300 5 S C -0.755 173.839 174.600 -0.010 0.000 1.087 5 S CA -0.875 57.227 58.200 -0.165 0.000 0.965 5 S CB 1.851 65.047 63.200 -0.006 0.000 1.089 5 S HN 0.678 nan 8.310 nan 0.000 0.496 6 I N -1.398 119.105 120.570 -0.113 0.000 2.769 6 I HA 0.727 4.910 4.170 0.023 0.000 0.298 6 I C -1.634 174.463 176.117 -0.034 0.000 1.128 6 I CA -1.484 59.840 61.300 0.040 0.000 1.031 6 I CB 1.886 39.941 38.000 0.091 0.000 1.235 6 I HN 0.665 nan 8.210 nan 0.000 0.423 7 I N 4.035 124.657 120.570 0.086 0.000 2.512 7 I HA 0.485 4.668 4.170 0.023 0.000 0.287 7 I C -0.565 175.630 176.117 0.130 0.000 1.069 7 I CA -0.248 61.118 61.300 0.110 0.000 1.056 7 I CB 2.435 40.562 38.000 0.212 0.000 1.229 7 I HN 0.849 nan 8.210 nan 0.000 0.429 8 T N 2.841 117.464 114.554 0.115 0.000 2.896 8 T HA 0.608 4.972 4.350 0.023 0.000 0.297 8 T C -3.017 171.750 174.700 0.113 0.000 1.108 8 T CA -2.489 59.686 62.100 0.125 0.000 1.004 8 T CB 2.152 71.108 68.868 0.146 0.000 1.159 8 T HN 0.060 nan 8.240 nan 0.000 0.499 9 P HA 0.251 nan 4.420 nan 0.000 0.269 9 P C 0.612 177.955 177.300 0.073 0.000 1.209 9 P CA -0.258 62.889 63.100 0.078 0.000 0.776 9 P CB 0.398 32.118 31.700 0.034 0.000 0.876 10 N N 1.197 119.942 118.700 0.076 0.000 2.258 10 N HA -0.096 4.658 4.740 0.023 0.000 0.187 10 N C 0.411 175.947 175.510 0.044 0.000 1.012 10 N CA 1.302 54.392 53.050 0.067 0.000 0.870 10 N CB -0.232 38.297 38.487 0.069 0.000 0.977 10 N HN 0.441 nan 8.380 nan 0.000 0.434 11 I N 0.856 121.438 120.570 0.020 0.000 2.499 11 I HA 0.235 4.419 4.170 0.023 0.000 0.288 11 I C -0.784 175.310 176.117 -0.040 0.000 1.048 11 I CA -0.565 60.725 61.300 -0.018 0.000 1.062 11 I CB 2.259 40.237 38.000 -0.036 0.000 1.238 11 I HN -0.254 nan 8.210 nan 0.000 0.426 12 L N 6.543 127.740 121.223 -0.044 0.000 2.264 12 L HA 0.513 4.867 4.340 0.023 0.000 0.289 12 L C 0.062 176.863 176.870 -0.115 0.000 1.044 12 L CA -0.540 54.269 54.840 -0.053 0.000 0.807 12 L CB 0.841 42.920 42.059 0.033 0.000 1.192 12 L HN 0.515 nan 8.230 nan 0.000 0.425 13 R N 3.531 123.940 120.500 -0.151 0.000 2.486 13 R HA 0.596 4.950 4.340 0.023 0.000 0.286 13 R C -0.653 175.589 176.300 -0.098 0.000 0.999 13 R CA -0.842 55.163 56.100 -0.159 0.000 0.993 13 R CB 1.427 31.538 30.300 -0.315 0.000 1.084 13 R HN 0.481 nan 8.270 nan 0.000 0.487 14 L N 1.809 122.985 121.223 -0.078 0.000 2.439 14 L HA 0.118 4.471 4.340 0.023 0.000 0.261 14 L C 0.716 177.580 176.870 -0.011 0.000 1.153 14 L CA -0.069 54.731 54.840 -0.065 0.000 0.808 14 L CB 0.375 42.370 42.059 -0.107 0.000 1.126 14 L HN 0.746 nan 8.230 nan 0.000 0.460 15 E N 0.265 120.455 120.200 -0.017 0.000 2.403 15 E HA -0.219 4.145 4.350 0.023 0.000 0.241 15 E C -0.629 175.967 176.600 -0.007 0.000 1.201 15 E CA 0.661 57.044 56.400 -0.028 0.000 0.721 15 E CB -1.114 28.538 29.700 -0.080 0.000 1.245 15 E HN 0.657 nan 8.360 nan 0.000 0.392 16 S N -0.982 114.728 115.700 0.016 0.000 2.536 16 S HA 0.388 4.871 4.470 0.023 0.000 0.271 16 S C -0.599 173.974 174.600 -0.045 0.000 1.134 16 S CA -1.118 57.109 58.200 0.044 0.000 0.897 16 S CB 2.261 65.582 63.200 0.202 0.000 1.094 16 S HN 0.236 nan 8.310 nan 0.000 0.473 17 E N 1.326 121.495 120.200 -0.052 0.000 2.265 17 E HA 0.141 4.505 4.350 0.023 0.000 0.272 17 E C -0.565 175.912 176.600 -0.206 0.000 1.067 17 E CA 0.041 56.369 56.400 -0.120 0.000 0.900 17 E CB 0.385 30.041 29.700 -0.073 0.000 1.017 17 E HN 0.495 nan 8.360 nan 0.000 0.431 18 E N 3.070 123.027 120.200 -0.405 0.000 2.195 18 E HA 0.304 4.667 4.350 0.023 0.000 0.271 18 E C -0.800 175.446 176.600 -0.590 0.000 0.923 18 E CA -0.596 55.491 56.400 -0.522 0.000 0.790 18 E CB 2.121 31.398 29.700 -0.704 0.000 1.155 18 E HN 0.411 nan 8.360 nan 0.000 0.402 19 T N 2.079 116.450 114.554 -0.305 0.000 2.888 19 T HA 0.569 4.932 4.350 0.023 0.000 0.284 19 T C 0.021 174.713 174.700 -0.013 0.000 1.017 19 T CA -0.596 61.419 62.100 -0.143 0.000 1.022 19 T CB 1.089 69.923 68.868 -0.057 0.000 1.013 19 T HN 0.311 nan 8.240 nan 0.000 0.465 20 M N 3.071 122.733 119.600 0.103 0.000 2.204 20 M HA 0.506 5.000 4.480 0.023 0.000 0.293 20 M C -1.696 174.688 176.300 0.139 0.000 0.994 20 M CA -0.763 54.644 55.300 0.178 0.000 0.925 20 M CB 1.173 33.958 32.600 0.307 0.000 1.577 20 M HN 0.334 nan 8.290 nan 0.000 0.439 21 V N 6.385 126.385 119.914 0.143 0.000 2.461 21 V HA 0.410 4.544 4.120 0.023 0.000 0.275 21 V C -0.274 175.926 176.094 0.178 0.000 1.047 21 V CA -0.360 62.029 62.300 0.149 0.000 0.955 21 V CB 1.188 33.114 31.823 0.172 0.000 0.988 21 V HN 0.777 nan 8.190 nan 0.000 0.471 22 L N 5.403 126.732 121.223 0.176 0.000 2.346 22 L HA 0.713 5.067 4.340 0.023 0.000 0.276 22 L C -0.192 176.818 176.870 0.233 0.000 1.006 22 L CA -0.375 54.621 54.840 0.260 0.000 0.817 22 L CB 1.958 44.155 42.059 0.230 0.000 1.272 22 L HN 0.609 nan 8.230 nan 0.000 0.421 23 E N 1.594 121.928 120.200 0.223 0.000 2.383 23 E HA 0.706 5.070 4.350 0.023 0.000 0.275 23 E C -1.222 175.302 176.600 -0.126 0.000 0.918 23 E CA -0.932 55.468 56.400 0.002 0.000 0.764 23 E CB 2.722 32.333 29.700 -0.148 0.000 1.252 23 E HN 0.603 nan 8.360 nan 0.000 0.449 24 A N 2.716 125.431 122.820 -0.176 0.000 2.893 24 A HA 0.301 4.634 4.320 0.023 0.000 0.333 24 A C -0.894 176.493 177.584 -0.329 0.000 1.152 24 A CA -0.663 51.247 52.037 -0.212 0.000 0.782 24 A CB 0.095 19.188 19.000 0.155 0.000 1.108 24 A HN 0.521 nan 8.150 nan 0.000 0.469 25 H N 1.284 120.269 119.070 -0.142 0.000 2.815 25 H HA 0.079 4.649 4.556 0.023 0.000 0.350 25 H C -0.215 175.004 175.328 -0.182 0.000 1.080 25 H CA 1.033 57.038 56.048 -0.071 0.000 1.433 25 H CB 0.666 30.442 29.762 0.024 0.000 1.432 25 H HN 0.701 nan 8.280 nan 0.000 0.592 26 D N -0.597 119.795 120.400 -0.013 0.000 2.751 26 D HA -0.156 4.498 4.640 0.023 0.000 0.233 26 D C 0.029 176.215 176.300 -0.190 0.000 1.149 26 D CA 1.067 55.016 54.000 -0.085 0.000 0.682 26 D CB -1.138 39.630 40.800 -0.052 0.000 1.068 26 D HN 0.727 nan 8.370 nan 0.000 0.429 27 A N -0.208 122.407 122.820 -0.342 0.000 2.281 27 A HA 0.735 5.069 4.320 0.023 0.000 0.329 27 A C 0.152 177.511 177.584 -0.376 0.000 1.122 27 A CA -0.531 51.299 52.037 -0.345 0.000 0.850 27 A CB 1.349 20.162 19.000 -0.311 0.000 1.207 27 A HN 0.059 nan 8.150 nan 0.000 0.495 28 Q N -0.166 119.590 119.800 -0.074 0.000 2.394 28 Q HA 0.576 4.930 4.340 0.023 0.000 0.273 28 Q C 0.275 176.403 176.000 0.214 0.000 1.089 28 Q CA -0.274 55.571 55.803 0.070 0.000 0.812 28 Q CB 2.123 30.886 28.738 0.041 0.000 1.353 28 Q HN 1.877 nan 8.270 nan 0.000 0.438 29 G N 1.914 110.853 108.800 0.232 0.000 2.645 29 G HA2 -0.228 3.746 3.960 0.023 0.000 0.246 29 G HA3 -0.228 3.746 3.960 0.023 0.000 0.246 29 G C -1.129 173.869 174.900 0.164 0.000 1.322 29 G CA -0.539 44.656 45.100 0.158 0.000 0.898 29 G HN 0.633 nan 8.290 nan 0.000 0.573 30 D N -0.128 120.322 120.400 0.082 0.000 2.308 30 D HA 0.480 5.134 4.640 0.023 0.000 0.251 30 D C 0.291 176.650 176.300 0.097 0.000 1.127 30 D CA 0.072 54.101 54.000 0.048 0.000 0.876 30 D CB 1.595 42.405 40.800 0.017 0.000 1.176 30 D HN 0.495 nan 8.370 nan 0.000 0.446 31 V N 4.913 124.899 119.914 0.119 0.000 2.304 31 V HA 0.300 4.433 4.120 0.023 0.000 0.278 31 V C -2.220 173.931 176.094 0.094 0.000 1.018 31 V CA -1.766 60.630 62.300 0.161 0.000 0.814 31 V CB 1.327 33.342 31.823 0.319 0.000 1.021 31 V HN 0.396 nan 8.190 nan 0.000 0.440 32 P HA 0.254 nan 4.420 nan 0.000 0.268 32 P C -0.752 176.507 177.300 -0.068 0.000 1.204 32 P CA 0.086 63.177 63.100 -0.014 0.000 0.768 32 P CB 0.911 32.597 31.700 -0.022 0.000 0.842 33 V N 3.442 123.284 119.914 -0.120 0.000 2.577 33 V HA 0.434 4.568 4.120 0.023 0.000 0.303 33 V C -0.236 175.724 176.094 -0.224 0.000 1.042 33 V CA -0.337 61.800 62.300 -0.271 0.000 0.872 33 V CB 2.335 33.954 31.823 -0.341 0.000 0.998 33 V HN 0.452 nan 8.190 nan 0.000 0.423 34 T N 3.902 118.303 114.554 -0.256 0.000 2.841 34 T HA 0.621 4.984 4.350 0.023 0.000 0.285 34 T C -0.585 173.994 174.700 -0.201 0.000 0.991 34 T CA -0.454 61.539 62.100 -0.179 0.000 0.966 34 T CB 1.733 70.527 68.868 -0.125 0.000 0.962 34 T HN 0.339 nan 8.240 nan 0.000 0.438 35 V N 4.183 123.995 119.914 -0.171 0.000 2.417 35 V HA 0.745 4.879 4.120 0.023 0.000 0.291 35 V C 0.270 176.248 176.094 -0.194 0.000 1.024 35 V CA -0.725 61.465 62.300 -0.184 0.000 0.861 35 V CB 1.716 33.436 31.823 -0.172 0.000 0.985 35 V HN 1.113 nan 8.190 nan 0.000 0.436 36 T N 1.541 115.976 114.554 -0.200 0.000 2.900 36 T HA 0.793 5.157 4.350 0.023 0.000 0.295 36 T C -0.967 173.537 174.700 -0.326 0.000 1.044 36 T CA -0.788 61.156 62.100 -0.260 0.000 0.995 36 T CB 1.918 70.683 68.868 -0.172 0.000 1.072 36 T HN 0.265 nan 8.240 nan 0.000 0.473 37 V N 2.750 122.395 119.914 -0.448 0.000 2.407 37 V HA 0.474 4.608 4.120 0.023 0.000 0.291 37 V C -0.882 175.000 176.094 -0.354 0.000 1.018 37 V CA -0.771 61.326 62.300 -0.338 0.000 0.842 37 V CB 0.805 32.414 31.823 -0.356 0.000 0.996 37 V HN 0.994 nan 8.190 nan 0.000 0.426 38 H N 2.068 121.145 119.070 0.012 0.000 2.616 38 H HA 0.501 5.071 4.556 0.023 0.000 0.353 38 H C -0.283 175.112 175.328 0.111 0.000 1.170 38 H CA -0.854 55.219 56.048 0.042 0.000 1.212 38 H CB 1.208 30.985 29.762 0.025 0.000 1.653 38 H HN 0.759 nan 8.280 nan 0.000 0.537 39 D N 1.098 121.619 120.400 0.202 0.000 2.362 39 D HA 0.001 4.655 4.640 0.023 0.000 0.242 39 D C -0.531 175.905 176.300 0.227 0.000 1.132 39 D CA -0.198 53.903 54.000 0.167 0.000 0.907 39 D CB 0.961 41.710 40.800 -0.086 0.000 1.195 39 D HN 0.248 nan 8.370 nan 0.000 0.429 40 F N 0.918 120.948 119.950 0.133 0.000 2.469 40 F HA 0.373 4.914 4.527 0.023 0.000 0.332 40 F C -1.892 173.963 175.800 0.092 0.000 1.103 40 F CA -2.102 55.971 58.000 0.121 0.000 0.979 40 F CB 2.097 41.208 39.000 0.184 0.000 1.137 40 F HN 0.126 nan 8.300 nan 0.000 0.463 41 P HA 0.244 nan 4.420 nan 0.000 0.275 41 P C 1.305 178.358 177.300 -0.411 0.000 1.310 41 P CA 0.308 62.761 63.100 -1.079 0.000 0.904 41 P CB 0.680 31.550 31.700 -1.383 0.000 1.381 42 G N 1.471 110.129 108.800 -0.237 0.000 2.432 42 G HA2 -0.219 3.755 3.960 0.023 0.000 0.219 42 G HA3 -0.219 3.755 3.960 0.023 0.000 0.219 42 G C 0.683 175.518 174.900 -0.109 0.000 1.135 42 G CA 0.289 45.298 45.100 -0.151 0.000 0.767 42 G HN 0.233 nan 8.290 nan 0.000 0.550 43 K N -0.728 119.633 120.400 -0.064 0.000 3.096 43 K HA -0.183 4.150 4.320 0.023 0.000 0.266 43 K C 1.274 177.869 176.600 -0.009 0.000 1.043 43 K CA 0.597 56.871 56.287 -0.023 0.000 0.758 43 K CB -0.459 31.951 32.500 -0.150 0.000 1.260 43 K HN 0.281 nan 8.250 nan 0.000 0.481 44 K N -0.144 120.247 120.400 -0.015 0.000 2.025 44 K HA -0.045 4.288 4.320 0.023 0.000 0.207 44 K C 0.957 177.566 176.600 0.014 0.000 1.049 44 K CA 1.362 57.637 56.287 -0.020 0.000 0.933 44 K CB -0.074 32.395 32.500 -0.050 0.000 0.714 44 K HN 0.239 nan 8.250 nan 0.000 0.438 45 L N -0.577 120.664 121.223 0.030 0.000 2.354 45 L HA 0.384 4.738 4.340 0.023 0.000 0.269 45 L C -0.251 176.658 176.870 0.065 0.000 1.005 45 L CA -0.860 54.001 54.840 0.034 0.000 0.819 45 L CB 1.703 43.755 42.059 -0.011 0.000 1.311 45 L HN -0.306 nan 8.230 nan 0.000 0.423 46 V N 4.215 124.140 119.914 0.018 0.000 2.322 46 V HA 0.232 4.366 4.120 0.023 0.000 0.258 46 V C 0.965 176.992 176.094 -0.112 0.000 1.074 46 V CA 0.052 62.273 62.300 -0.132 0.000 0.909 46 V CB 0.118 31.879 31.823 -0.104 0.000 1.090 46 V HN 0.786 nan 8.190 nan 0.000 0.486 47 L N 4.460 125.616 121.223 -0.112 0.000 2.093 47 L HA 0.082 4.436 4.340 0.023 0.000 0.208 47 L C 0.904 177.753 176.870 -0.035 0.000 1.085 47 L CA 0.893 55.721 54.840 -0.019 0.000 0.755 47 L CB -0.262 41.835 42.059 0.062 0.000 0.904 47 L HN 0.674 nan 8.230 nan 0.000 0.435 48 S N -1.759 113.862 115.700 -0.131 0.000 2.550 48 S HA 0.475 4.958 4.470 0.023 0.000 0.270 48 S C -0.900 173.592 174.600 -0.180 0.000 1.145 48 S CA -0.589 57.544 58.200 -0.111 0.000 0.852 48 S CB 2.496 65.646 63.200 -0.085 0.000 1.119 48 S HN 0.032 nan 8.310 nan 0.000 0.465 49 S N 1.581 117.215 115.700 -0.108 0.000 2.689 49 S HA 0.541 5.025 4.470 0.023 0.000 0.274 49 S C -1.870 172.694 174.600 -0.061 0.000 1.176 49 S CA -0.531 57.604 58.200 -0.108 0.000 1.014 49 S CB 0.553 63.701 63.200 -0.088 0.000 1.071 49 S HN 0.562 nan 8.310 nan 0.000 0.478 50 E N 2.765 122.925 120.200 -0.067 0.000 2.343 50 E HA 0.545 4.909 4.350 0.023 0.000 0.270 50 E C -1.124 175.445 176.600 -0.052 0.000 0.895 50 E CA -0.804 55.576 56.400 -0.033 0.000 0.767 50 E CB 2.102 31.809 29.700 0.011 0.000 1.248 50 E HN 0.585 nan 8.360 nan 0.000 0.440 51 K N 0.350 120.727 120.400 -0.039 0.000 2.371 51 K HA 0.700 5.034 4.320 0.023 0.000 0.251 51 K C -0.547 176.030 176.600 -0.039 0.000 0.934 51 K CA -0.643 55.613 56.287 -0.051 0.000 0.798 51 K CB 2.460 34.934 32.500 -0.043 0.000 1.204 51 K HN 0.375 nan 8.250 nan 0.000 0.427 52 T N 0.289 114.812 114.554 -0.051 0.000 2.802 52 T HA 0.482 4.845 4.350 0.023 0.000 0.311 52 T C -1.833 172.847 174.700 -0.034 0.000 1.405 52 T CA -0.598 61.482 62.100 -0.034 0.000 1.016 52 T CB 1.445 70.299 68.868 -0.023 0.000 1.352 52 T HN 0.206 nan 8.240 nan 0.000 0.498 53 V N 3.526 123.428 119.914 -0.020 0.000 2.531 53 V HA 0.517 4.651 4.120 0.023 0.000 0.301 53 V C -0.354 175.732 176.094 -0.013 0.000 1.034 53 V CA -0.836 61.455 62.300 -0.014 0.000 0.865 53 V CB 1.620 33.432 31.823 -0.019 0.000 0.995 53 V HN 0.727 nan 8.190 nan 0.000 0.424 54 L N 5.325 126.553 121.223 0.008 0.000 2.315 54 L HA 0.417 4.771 4.340 0.023 0.000 0.278 54 L C 0.693 177.460 176.870 -0.172 0.000 1.088 54 L CA -0.094 54.735 54.840 -0.018 0.000 0.899 54 L CB 0.823 42.952 42.059 0.117 0.000 1.277 54 L HN 0.846 nan 8.230 nan 0.000 0.431 55 T N -0.985 113.439 114.554 -0.218 0.000 2.928 55 T HA 0.359 4.722 4.350 0.023 0.000 0.284 55 T C -1.922 172.504 174.700 -0.457 0.000 1.008 55 T CA -2.100 59.822 62.100 -0.295 0.000 1.057 55 T CB 1.855 70.638 68.868 -0.140 0.000 1.018 55 T HN 0.123 nan 8.240 nan 0.000 0.493 56 P HA -0.066 nan 4.420 nan 0.000 0.218 56 P C 1.510 178.742 177.300 -0.114 0.000 1.146 56 P CA 1.200 64.152 63.100 -0.246 0.000 0.813 56 P CB -0.240 31.446 31.700 -0.025 0.000 0.778 57 A N -0.516 122.240 122.820 -0.107 0.000 2.019 57 A HA -0.133 4.201 4.320 0.023 0.000 0.219 57 A C 1.934 179.480 177.584 -0.063 0.000 1.164 57 A CA 2.120 54.120 52.037 -0.062 0.000 0.644 57 A CB -1.637 17.333 19.000 -0.050 0.000 0.805 57 A HN 0.348 nan 8.150 nan 0.000 0.449 58 T N -3.900 110.599 114.554 -0.090 0.000 3.186 58 T HA 0.186 4.550 4.350 0.023 0.000 0.257 58 T C 0.305 174.960 174.700 -0.075 0.000 1.029 58 T CA 0.201 62.258 62.100 -0.071 0.000 0.916 58 T CB -0.429 68.401 68.868 -0.063 0.000 1.041 58 T HN 0.427 nan 8.240 nan 0.000 0.562 59 N N 1.771 120.426 118.700 -0.074 0.000 2.741 59 N HA -0.204 4.550 4.740 0.023 0.000 0.250 59 N C -0.175 175.349 175.510 0.024 0.000 1.115 59 N CA 1.291 54.310 53.050 -0.053 0.000 0.724 59 N CB -2.254 36.148 38.487 -0.141 0.000 1.090 59 N HN 0.849 nan 8.380 nan 0.000 0.558 60 H N -2.718 116.312 119.070 -0.066 0.000 2.791 60 H HA -0.167 4.403 4.556 0.023 0.000 0.302 60 H C 0.367 175.666 175.328 -0.049 0.000 1.198 60 H CA 1.590 57.615 56.048 -0.039 0.000 1.145 60 H CB -0.925 28.809 29.762 -0.047 0.000 1.385 60 H HN 0.553 nan 8.280 nan 0.000 0.409 61 M N 0.389 119.998 119.600 0.015 0.000 2.327 61 M HA 0.572 5.066 4.480 0.023 0.000 0.298 61 M C -0.228 176.083 176.300 0.019 0.000 1.065 61 M CA -0.088 55.223 55.300 0.017 0.000 0.916 61 M CB 1.703 34.289 32.600 -0.023 0.000 1.630 61 M HN 0.279 nan 8.290 nan 0.000 0.442 62 G N 2.504 111.335 108.800 0.051 0.000 2.684 62 G HA2 0.598 4.571 3.960 0.023 0.000 0.290 62 G HA3 0.598 4.571 3.960 0.023 0.000 0.290 62 G C -2.187 172.747 174.900 0.057 0.000 1.425 62 G CA -0.799 44.324 45.100 0.039 0.000 0.822 62 G HN 0.835 nan 8.290 nan 0.000 0.482 63 N N -1.930 116.797 118.700 0.045 0.000 2.380 63 N HA 0.695 5.449 4.740 0.023 0.000 0.290 63 N C -1.604 173.939 175.510 0.055 0.000 1.236 63 N CA -0.825 52.260 53.050 0.058 0.000 0.780 63 N CB 2.498 41.014 38.487 0.049 0.000 1.438 63 N HN 0.439 nan 8.380 nan 0.000 0.491 64 V N 0.441 120.406 119.914 0.085 0.000 2.483 64 V HA 0.572 4.706 4.120 0.023 0.000 0.297 64 V C -0.502 175.685 176.094 0.155 0.000 1.027 64 V CA -0.646 61.720 62.300 0.111 0.000 0.855 64 V CB 1.487 33.381 31.823 0.118 0.000 0.995 64 V HN 0.985 nan 8.190 nan 0.000 0.424 65 T N 2.992 117.606 114.554 0.100 0.000 2.767 65 T HA 0.813 5.176 4.350 0.023 0.000 0.284 65 T C -0.794 173.964 174.700 0.098 0.000 0.973 65 T CA -0.450 61.659 62.100 0.015 0.000 0.996 65 T CB 0.849 69.701 68.868 -0.026 0.000 0.927 65 T HN 0.559 nan 8.240 nan 0.000 0.456 66 F N -0.575 119.371 119.950 -0.006 0.000 2.578 66 F HA 0.742 5.283 4.527 0.023 0.000 0.311 66 F C -0.736 175.061 175.800 -0.006 0.000 1.094 66 F CA -1.151 56.844 58.000 -0.010 0.000 0.923 66 F CB 1.509 40.499 39.000 -0.016 0.000 1.230 66 F HN 0.421 nan 8.300 nan 0.000 0.450 67 T N 4.767 119.399 114.554 0.129 0.000 2.821 67 T HA 0.453 4.816 4.350 0.023 0.000 0.307 67 T C 0.085 174.867 174.700 0.137 0.000 1.034 67 T CA -0.355 61.780 62.100 0.059 0.000 0.953 67 T CB 0.375 69.255 68.868 0.021 0.000 0.968 67 T HN 0.548 nan 8.240 nan 0.000 0.462 68 I N 6.615 127.286 120.570 0.169 0.000 2.662 68 I HA 0.119 4.303 4.170 0.023 0.000 0.285 68 I C -1.547 174.631 176.117 0.103 0.000 1.161 68 I CA -1.673 59.725 61.300 0.163 0.000 1.415 68 I CB 0.480 38.574 38.000 0.157 0.000 1.385 68 I HN 0.294 nan 8.210 nan 0.000 0.552 69 P HA 0.062 nan 4.420 nan 0.000 0.272 69 P C -0.501 176.868 177.300 0.114 0.000 1.223 69 P CA -0.489 62.665 63.100 0.089 0.000 0.784 69 P CB 0.876 32.625 31.700 0.082 0.000 0.923 70 A N 2.728 125.597 122.820 0.081 0.000 3.074 70 A HA 0.058 4.392 4.320 0.023 0.000 0.251 70 A C 0.640 178.300 177.584 0.126 0.000 1.695 70 A CA -0.271 51.822 52.037 0.094 0.000 1.343 70 A CB -1.500 17.527 19.000 0.045 0.000 1.078 70 A HN 0.426 nan 8.150 nan 0.000 0.644 71 N N 0.576 119.382 118.700 0.177 0.000 2.441 71 N HA -0.013 4.741 4.740 0.023 0.000 0.251 71 N C 1.075 176.662 175.510 0.128 0.000 1.242 71 N CA 0.108 53.234 53.050 0.128 0.000 0.898 71 N CB 0.494 39.036 38.487 0.091 0.000 1.100 71 N HN 0.585 nan 8.380 nan 0.000 0.443 72 R N 1.424 121.964 120.500 0.067 0.000 2.323 72 R HA -0.021 4.333 4.340 0.023 0.000 0.198 72 R C 0.546 176.863 176.300 0.028 0.000 0.988 72 R CA 0.566 56.701 56.100 0.058 0.000 1.041 72 R CB 0.262 30.584 30.300 0.038 0.000 0.926 72 R HN 0.495 nan 8.270 nan 0.000 0.476 73 E N -0.168 120.016 120.200 -0.027 0.000 2.158 73 E HA -0.130 4.234 4.350 0.023 0.000 0.191 73 E C 0.127 176.629 176.600 -0.164 0.000 0.982 73 E CA 0.726 57.044 56.400 -0.137 0.000 0.823 73 E CB -0.009 29.537 29.700 -0.256 0.000 0.766 73 E HN 0.315 nan 8.360 nan 0.000 0.468 74 F N 1.940 121.908 119.950 0.030 0.000 2.668 74 F HA 0.086 4.627 4.527 0.023 0.000 0.365 74 F C 0.920 176.733 175.800 0.021 0.000 1.165 74 F CA 0.281 58.298 58.000 0.028 0.000 1.344 74 F CB -0.062 38.952 39.000 0.023 0.000 1.658 74 F HN -0.320 nan 8.300 nan 0.000 0.620 79 G N 1.344 110.152 108.800 0.014 0.000 2.234 79 G HA2 -0.213 3.760 3.960 0.023 0.000 0.235 79 G HA3 -0.213 3.760 3.960 0.023 0.000 0.235 79 G C -0.232 174.681 174.900 0.022 0.000 0.997 79 G CA -0.317 44.789 45.100 0.010 0.000 0.623 79 G HN 0.319 nan 8.290 nan 0.000 0.514 80 R N 1.052 121.576 120.500 0.040 0.000 2.357 80 R HA 0.374 4.728 4.340 0.023 0.000 0.296 80 R C -0.118 176.213 176.300 0.053 0.000 1.052 80 R CA -0.767 55.372 56.100 0.065 0.000 0.988 80 R CB 0.458 30.813 30.300 0.091 0.000 1.025 80 R HN 0.246 nan 8.270 nan 0.000 0.469 81 N N 2.241 120.965 118.700 0.040 0.000 2.518 81 N HA 0.058 4.812 4.740 0.023 0.000 0.266 81 N C -0.066 175.368 175.510 -0.127 0.000 1.196 81 N CA 0.201 53.193 53.050 -0.096 0.000 0.947 81 N CB 0.725 39.096 38.487 -0.194 0.000 1.098 81 N HN 0.053 nan 8.380 nan 0.000 0.450 82 K N 1.400 121.670 120.400 -0.218 0.000 2.098 82 K HA 0.515 4.849 4.320 0.023 0.000 0.258 82 K C -0.495 175.892 176.600 -0.354 0.000 0.973 82 K CA -0.305 55.969 56.287 -0.021 0.000 0.898 82 K CB 0.833 33.498 32.500 0.275 0.000 1.057 82 K HN 0.370 nan 8.250 nan 0.000 0.447 83 F N -0.543 119.568 119.950 0.269 0.000 2.613 83 F HA 0.473 5.014 4.527 0.023 0.000 0.314 83 F C -0.081 175.891 175.800 0.288 0.000 1.075 83 F CA -1.109 56.988 58.000 0.162 0.000 0.945 83 F CB 1.813 40.789 39.000 -0.041 0.000 1.310 83 F HN 0.194 nan 8.300 nan 0.000 0.467 84 V N -1.847 118.290 119.914 0.372 0.000 2.962 84 V HA 0.774 4.908 4.120 0.023 0.000 0.313 84 V C -0.797 175.430 176.094 0.223 0.000 1.099 84 V CA -0.750 61.747 62.300 0.328 0.000 0.971 84 V CB 1.603 33.586 31.823 0.266 0.000 1.028 84 V HN 0.715 nan 8.190 nan 0.000 0.430 85 T N 2.582 117.275 114.554 0.231 0.000 2.801 85 T HA 0.513 4.877 4.350 0.023 0.000 0.306 85 T C -0.210 174.550 174.700 0.100 0.000 1.020 85 T CA -0.235 61.967 62.100 0.170 0.000 0.948 85 T CB 0.960 69.971 68.868 0.239 0.000 0.962 85 T HN 0.682 nan 8.240 nan 0.000 0.465 86 V N 4.705 124.643 119.914 0.041 0.000 2.408 86 V HA 0.292 4.426 4.120 0.023 0.000 0.267 86 V C 0.301 176.390 176.094 -0.008 0.000 1.047 86 V CA -0.367 61.917 62.300 -0.027 0.000 0.937 86 V CB 0.930 32.739 31.823 -0.023 0.000 0.999 86 V HN 0.806 nan 8.190 nan 0.000 0.472 87 Q N 3.884 123.670 119.800 -0.024 0.000 2.327 87 Q HA 0.707 5.061 4.340 0.023 0.000 0.270 87 Q C -0.702 175.257 176.000 -0.067 0.000 1.022 87 Q CA -0.533 55.266 55.803 -0.007 0.000 0.773 87 Q CB 1.694 30.461 28.738 0.048 0.000 1.251 87 Q HN 0.862 nan 8.270 nan 0.000 0.457 88 A N 3.123 125.901 122.820 -0.070 0.000 2.303 88 A HA 0.628 4.962 4.320 0.023 0.000 0.320 88 A C -0.723 176.717 177.584 -0.241 0.000 1.192 88 A CA -0.527 51.384 52.037 -0.210 0.000 0.821 88 A CB 1.476 20.336 19.000 -0.233 0.000 1.188 88 A HN 0.659 nan 8.150 nan 0.000 0.492 89 T N 3.049 117.400 114.554 -0.340 0.000 2.874 89 T HA 0.387 4.751 4.350 0.023 0.000 0.321 89 T C -0.735 173.747 174.700 -0.364 0.000 1.075 89 T CA 0.155 62.115 62.100 -0.233 0.000 0.966 89 T CB -0.484 68.303 68.868 -0.135 0.000 1.001 89 T HN 0.369 nan 8.240 nan 0.000 0.476 90 F N 3.416 123.224 119.950 -0.237 0.000 2.567 90 F HA 0.441 4.982 4.527 0.023 0.000 0.352 90 F C 1.661 177.247 175.800 -0.358 0.000 1.229 90 F CA -0.066 57.718 58.000 -0.360 0.000 1.228 90 F CB -0.474 38.076 39.000 -0.750 0.000 1.568 90 F HN 0.903 nan 8.300 nan 0.000 0.634 91 G N 1.714 110.458 108.800 -0.093 0.000 2.889 91 G HA2 -0.394 3.580 3.960 0.023 0.000 0.308 91 G HA3 -0.394 3.580 3.960 0.023 0.000 0.308 91 G C 1.167 176.031 174.900 -0.060 0.000 1.248 91 G CA 0.743 45.806 45.100 -0.062 0.000 0.982 91 G HN 0.391 nan 8.290 nan 0.000 0.571 92 T N 2.202 116.723 114.554 -0.055 0.000 2.953 92 T HA 0.202 4.566 4.350 0.023 0.000 0.247 92 T C 1.125 175.803 174.700 -0.036 0.000 1.029 92 T CA 1.194 63.274 62.100 -0.033 0.000 1.144 92 T CB -0.098 68.764 68.868 -0.009 0.000 0.870 92 T HN 0.478 nan 8.240 nan 0.000 0.446 93 Q N 1.814 121.573 119.800 -0.068 0.000 2.315 93 Q HA 0.196 4.549 4.340 0.023 0.000 0.289 93 Q C -0.564 175.445 176.000 0.016 0.000 1.044 93 Q CA 0.252 56.032 55.803 -0.038 0.000 0.920 93 Q CB 1.063 29.729 28.738 -0.119 0.000 1.214 93 Q HN 0.235 nan 8.270 nan 0.000 0.392 94 V N 3.825 123.766 119.914 0.045 0.000 2.444 94 V HA 0.425 4.558 4.120 0.023 0.000 0.294 94 V C -1.012 175.134 176.094 0.086 0.000 1.022 94 V CA -0.586 61.748 62.300 0.057 0.000 0.850 94 V CB 1.877 33.711 31.823 0.018 0.000 0.992 94 V HN 0.456 nan 8.190 nan 0.000 0.426 95 V N 7.828 127.824 119.914 0.136 0.000 2.350 95 V HA 0.550 4.684 4.120 0.023 0.000 0.285 95 V C -0.061 176.075 176.094 0.070 0.000 1.014 95 V CA -0.488 61.882 62.300 0.117 0.000 0.831 95 V CB 1.379 33.321 31.823 0.198 0.000 1.000 95 V HN 1.016 nan 8.190 nan 0.000 0.433 96 E N 3.785 124.007 120.200 0.035 0.000 2.263 96 E HA 0.905 5.269 4.350 0.023 0.000 0.264 96 E C -1.026 175.579 176.600 0.007 0.000 0.923 96 E CA -1.341 55.074 56.400 0.025 0.000 0.802 96 E CB 2.918 32.637 29.700 0.032 0.000 1.228 96 E HN 0.336 nan 8.360 nan 0.000 0.417 97 K N 0.897 121.301 120.400 0.007 0.000 2.557 97 K HA 0.280 4.614 4.320 0.023 0.000 0.257 97 K C -2.033 174.559 176.600 -0.014 0.000 0.933 97 K CA -0.664 55.615 56.287 -0.014 0.000 0.820 97 K CB 2.279 34.767 32.500 -0.019 0.000 1.330 97 K HN 0.449 nan 8.250 nan 0.000 0.432 98 V N 4.446 124.319 119.914 -0.069 0.000 2.406 98 V HA 0.473 4.607 4.120 0.023 0.000 0.272 98 V C -0.392 175.682 176.094 -0.034 0.000 1.043 98 V CA -0.668 61.556 62.300 -0.127 0.000 0.915 98 V CB 1.204 32.770 31.823 -0.428 0.000 0.988 98 V HN 0.522 nan 8.190 nan 0.000 0.466 99 V N 5.777 125.737 119.914 0.078 0.000 2.715 99 V HA 0.456 4.590 4.120 0.023 0.000 0.310 99 V C -0.089 176.145 176.094 0.233 0.000 1.054 99 V CA -0.889 61.492 62.300 0.136 0.000 0.928 99 V CB 1.939 33.822 31.823 0.100 0.000 1.007 99 V HN 0.695 nan 8.190 nan 0.000 0.437 100 L N 4.315 125.645 121.223 0.179 0.000 2.467 100 L HA 0.454 4.808 4.340 0.023 0.000 0.270 100 L C -0.259 176.515 176.870 -0.160 0.000 1.205 100 L CA 0.723 55.515 54.840 -0.080 0.000 0.828 100 L CB 1.119 43.143 42.059 -0.057 0.000 1.101 100 L HN 0.463 nan 8.230 nan 0.000 0.479 101 V N 3.846 123.569 119.914 -0.319 0.000 2.540 101 V HA 0.508 4.642 4.120 0.023 0.000 0.302 101 V C -0.294 175.641 176.094 -0.264 0.000 1.035 101 V CA -0.521 61.615 62.300 -0.273 0.000 0.873 101 V CB 1.767 33.371 31.823 -0.364 0.000 0.992 101 V HN 0.872 nan 8.190 nan 0.000 0.428 102 S N 4.176 119.752 115.700 -0.208 0.000 2.475 102 S HA 0.479 4.962 4.470 0.023 0.000 0.298 102 S C 0.685 175.198 174.600 -0.146 0.000 1.119 102 S CA -0.738 57.369 58.200 -0.155 0.000 1.085 102 S CB 1.134 64.270 63.200 -0.107 0.000 1.028 102 S HN 0.558 nan 8.310 nan 0.000 0.489 103 L N 3.242 124.400 121.223 -0.109 0.000 2.313 103 L HA 0.142 4.496 4.340 0.023 0.000 0.214 103 L C 1.585 178.446 176.870 -0.016 0.000 1.119 103 L CA 0.976 55.771 54.840 -0.074 0.000 0.809 103 L CB -1.204 40.832 42.059 -0.039 0.000 0.933 103 L HN 0.813 nan 8.230 nan 0.000 0.449 104 Q N 0.287 120.095 119.800 0.012 0.000 2.478 104 Q HA -0.110 4.244 4.340 0.023 0.000 0.323 104 Q C 1.012 177.061 176.000 0.082 0.000 1.087 104 Q CA 0.125 55.973 55.803 0.074 0.000 1.056 104 Q CB 0.717 29.514 28.738 0.099 0.000 1.018 104 Q HN 0.208 nan 8.270 nan 0.000 0.387 105 S N 2.398 118.063 115.700 -0.058 0.000 2.388 105 S HA 0.219 4.703 4.470 0.023 0.000 0.223 105 S C 0.558 174.742 174.600 -0.692 0.000 1.034 105 S CA 0.452 58.475 58.200 -0.294 0.000 0.963 105 S CB 0.520 63.420 63.200 -0.500 0.000 0.827 105 S HN 0.873 nan 8.310 nan 0.000 0.481 106 G N -0.775 107.663 108.800 -0.603 0.000 2.562 106 G HA2 0.527 4.501 3.960 0.023 0.000 0.190 106 G HA3 0.527 4.501 3.960 0.023 0.000 0.190 106 G C -2.059 172.547 174.900 -0.489 0.000 1.196 106 G CA -0.722 43.934 45.100 -0.740 0.000 0.986 106 G HN 0.163 nan 8.290 nan 0.000 0.512 107 Y N -0.577 119.639 120.300 -0.140 0.000 2.524 107 Y HA 0.782 5.346 4.550 0.024 0.000 0.344 107 Y C -0.023 175.237 175.900 -1.066 0.000 1.012 107 Y CA -0.815 56.892 58.100 -0.655 0.000 1.068 107 Y CB 2.415 40.517 38.460 -0.596 0.000 1.249 107 Y HN 0.292 nan 8.280 nan 0.000 0.468 108 L N 3.547 123.635 121.223 -1.893 0.000 2.372 108 L HA 0.494 4.848 4.340 0.023 0.000 0.274 108 L C -1.635 174.662 176.870 -0.955 0.000 0.988 108 L CA -0.518 53.593 54.840 -1.216 0.000 0.833 108 L CB 1.193 42.648 42.059 -1.006 0.000 1.236 108 L HN 0.486 nan 8.230 nan 0.000 0.410 109 F N 3.925 123.826 119.950 -0.081 0.000 2.426 109 F HA 0.531 5.072 4.527 0.024 0.000 0.348 109 F C 0.261 176.197 175.800 0.227 0.000 1.124 109 F CA -0.579 57.471 58.000 0.084 0.000 1.008 109 F CB 1.394 40.422 39.000 0.048 0.000 1.139 109 F HN 0.178 nan 8.300 nan 0.000 0.452 110 I N 3.280 124.060 120.570 0.349 0.000 2.336 110 I HA 0.338 4.522 4.170 0.023 0.000 0.292 110 I C -0.448 175.858 176.117 0.315 0.000 0.991 110 I CA -0.614 60.860 61.300 0.290 0.000 1.227 110 I CB 1.635 39.763 38.000 0.213 0.000 1.366 110 I HN 0.565 nan 8.210 nan 0.000 0.466 111 Q N 5.915 125.907 119.800 0.321 0.000 2.325 111 Q HA 0.412 4.766 4.340 0.023 0.000 0.270 111 Q C -0.976 175.178 176.000 0.257 0.000 1.020 111 Q CA -0.660 55.322 55.803 0.299 0.000 0.785 111 Q CB 1.964 30.934 28.738 0.386 0.000 1.259 111 Q HN 0.797 nan 8.270 nan 0.000 0.452 112 T N -0.003 114.696 114.554 0.242 0.000 2.902 112 T HA 0.172 4.536 4.350 0.023 0.000 0.283 112 T C 0.980 175.817 174.700 0.228 0.000 1.009 112 T CA -0.479 61.767 62.100 0.244 0.000 1.051 112 T CB 1.140 70.153 68.868 0.241 0.000 0.999 112 T HN 0.686 nan 8.240 nan 0.000 0.474 113 D N 1.773 122.306 120.400 0.222 0.000 2.149 113 D HA -0.105 4.548 4.640 0.023 0.000 0.198 113 D C 0.410 176.767 176.300 0.095 0.000 0.990 113 D CA 1.210 55.304 54.000 0.157 0.000 0.839 113 D CB 0.138 41.021 40.800 0.137 0.000 0.948 113 D HN 0.610 nan 8.370 nan 0.000 0.460 114 K N -1.237 119.203 120.400 0.066 0.000 2.433 114 K HA 0.335 4.668 4.320 0.023 0.000 0.252 114 K C 0.813 177.342 176.600 -0.118 0.000 1.015 114 K CA -0.201 55.966 56.287 -0.201 0.000 0.860 114 K CB 1.920 34.066 32.500 -0.589 0.000 1.359 114 K HN -0.031 nan 8.250 nan 0.000 0.452 115 T N -2.156 112.323 114.554 -0.126 0.000 3.044 115 T HA 0.228 4.591 4.350 0.023 0.000 0.255 115 T C 0.895 175.629 174.700 0.057 0.000 1.073 115 T CA 0.189 62.322 62.100 0.054 0.000 1.125 115 T CB 0.132 69.051 68.868 0.085 0.000 0.908 115 T HN 0.497 nan 8.240 nan 0.000 0.480 116 I N 0.208 120.665 120.570 -0.187 0.000 2.686 116 I HA 0.600 4.784 4.170 0.023 0.000 0.295 116 I C -1.867 174.163 176.117 -0.144 0.000 1.114 116 I CA -1.676 59.602 61.300 -0.036 0.000 1.038 116 I CB 2.192 40.105 38.000 -0.145 0.000 1.238 116 I HN 0.085 nan 8.210 nan 0.000 0.420 117 Y N 2.902 123.411 120.300 0.349 0.000 2.605 117 Y HA 0.558 5.123 4.550 0.024 0.000 0.343 117 Y C 0.154 176.193 175.900 0.231 0.000 1.036 117 Y CA -0.766 57.504 58.100 0.282 0.000 1.065 117 Y CB 2.232 40.782 38.460 0.149 0.000 1.288 117 Y HN 0.510 nan 8.280 nan 0.000 0.481 118 T N -0.873 113.757 114.554 0.127 0.000 2.895 118 T HA 0.496 4.860 4.350 0.023 0.000 0.283 118 T C -2.968 171.708 174.700 -0.040 0.000 1.014 118 T CA -2.794 59.250 62.100 -0.094 0.000 1.037 118 T CB 1.472 70.117 68.868 -0.371 0.000 1.006 118 T HN 0.154 nan 8.240 nan 0.000 0.468 119 P HA 0.268 nan 4.420 nan 0.000 0.261 119 P C 1.109 178.348 177.300 -0.102 0.000 1.183 119 P CA 1.160 64.217 63.100 -0.073 0.000 0.761 119 P CB 0.108 31.782 31.700 -0.043 0.000 0.785 120 G N 1.713 110.428 108.800 -0.142 0.000 2.179 120 G HA2 -0.186 3.787 3.960 0.023 0.000 0.220 120 G HA3 -0.186 3.787 3.960 0.023 0.000 0.220 120 G C 0.271 175.087 174.900 -0.141 0.000 0.990 120 G CA 0.173 45.188 45.100 -0.141 0.000 0.646 120 G HN 0.774 nan 8.290 nan 0.000 0.517 121 S N -0.495 115.127 115.700 -0.130 0.000 2.722 121 S HA 0.792 5.276 4.470 0.023 0.000 0.292 121 S C -0.122 174.384 174.600 -0.156 0.000 1.135 121 S CA 0.182 58.328 58.200 -0.089 0.000 1.003 121 S CB 2.186 65.395 63.200 0.014 0.000 1.067 121 S HN 0.498 nan 8.310 nan 0.000 0.546 122 T N 1.677 116.166 114.554 -0.109 0.000 2.767 122 T HA 0.442 4.805 4.350 0.023 0.000 0.284 122 T C -0.513 174.100 174.700 -0.145 0.000 0.973 122 T CA -0.509 61.497 62.100 -0.158 0.000 0.996 122 T CB 1.044 69.849 68.868 -0.106 0.000 0.927 122 T HN 0.522 nan 8.240 nan 0.000 0.456 123 V N 5.824 125.564 119.914 -0.291 0.000 2.353 123 V HA 0.261 4.395 4.120 0.023 0.000 0.264 123 V C 0.124 176.198 176.094 -0.033 0.000 1.049 123 V CA -0.489 61.553 62.300 -0.430 0.000 0.896 123 V CB 0.087 31.381 31.823 -0.882 0.000 1.025 123 V HN 0.708 nan 8.190 nan 0.000 0.475 124 L N 7.589 128.846 121.223 0.056 0.000 2.265 124 L HA 0.547 4.900 4.340 0.023 0.000 0.288 124 L C -0.452 176.517 176.870 0.164 0.000 1.058 124 L CA -0.401 54.486 54.840 0.078 0.000 0.809 124 L CB 0.421 42.504 42.059 0.040 0.000 1.179 124 L HN 0.742 nan 8.230 nan 0.000 0.429 125 Y N 1.276 121.545 120.300 -0.050 0.000 2.524 125 Y HA 0.743 5.306 4.550 0.022 0.000 0.347 125 Y C -0.823 175.030 175.900 -0.078 0.000 1.005 125 Y CA -1.368 56.709 58.100 -0.039 0.000 1.025 125 Y CB 1.378 39.811 38.460 -0.044 0.000 1.275 125 Y HN 0.364 nan 8.280 nan 0.000 0.460 126 R N 3.155 123.614 120.500 -0.068 0.000 2.589 126 R HA 0.677 5.031 4.340 0.023 0.000 0.293 126 R C -1.341 174.787 176.300 -0.286 0.000 0.963 126 R CA -0.950 54.965 56.100 -0.308 0.000 0.905 126 R CB 2.260 32.289 30.300 -0.452 0.000 1.144 126 R HN 0.778 nan 8.270 nan 0.000 0.459 127 I N 3.632 123.984 120.570 -0.365 0.000 2.382 127 I HA 0.266 4.449 4.170 0.023 0.000 0.285 127 I C -0.808 175.114 176.117 -0.325 0.000 1.007 127 I CA -0.590 60.577 61.300 -0.223 0.000 1.142 127 I CB 1.016 38.947 38.000 -0.114 0.000 1.289 127 I HN 0.372 nan 8.210 nan 0.000 0.453 128 F N 3.862 123.822 119.950 0.016 0.000 2.424 128 F HA 0.260 4.801 4.527 0.023 0.000 0.356 128 F C 1.052 176.841 175.800 -0.018 0.000 1.110 128 F CA -0.631 57.390 58.000 0.035 0.000 1.161 128 F CB 1.143 40.217 39.000 0.124 0.000 1.115 128 F HN 0.346 nan 8.300 nan 0.000 0.507 129 T N 1.909 116.542 114.554 0.132 0.000 2.756 129 T HA 0.715 5.079 4.350 0.023 0.000 0.290 129 T C -0.524 174.280 174.700 0.175 0.000 0.985 129 T CA -0.661 61.506 62.100 0.113 0.000 0.955 129 T CB 0.666 69.604 68.868 0.115 0.000 0.930 129 T HN 0.550 nan 8.240 nan 0.000 0.451 130 V N 1.115 121.138 119.914 0.182 0.000 3.159 130 V HA 0.785 4.919 4.120 0.023 0.000 0.308 130 V C -0.488 175.653 176.094 0.077 0.000 1.190 130 V CA -1.489 60.898 62.300 0.145 0.000 1.037 130 V CB 1.746 33.683 31.823 0.189 0.000 1.060 130 V HN 0.980 nan 8.190 nan 0.000 0.437 131 N N -0.201 118.513 118.700 0.024 0.000 2.431 131 N HA 0.274 5.028 4.740 0.023 0.000 0.289 131 N C 0.648 176.161 175.510 0.006 0.000 1.277 131 N CA 0.226 53.214 53.050 -0.104 0.000 0.972 131 N CB -0.461 37.987 38.487 -0.065 0.000 1.143 131 N HN 0.800 nan 8.380 nan 0.000 0.578 132 H N -1.682 117.441 119.070 0.088 0.000 2.518 132 H HA 0.082 4.651 4.556 0.023 0.000 0.289 132 H C 0.370 175.871 175.328 0.288 0.000 1.051 132 H CA 1.107 57.277 56.048 0.203 0.000 1.280 132 H CB 0.097 29.904 29.762 0.075 0.000 1.380 132 H HN 0.489 nan 8.280 nan 0.000 0.566 133 K N 0.724 121.290 120.400 0.277 0.000 2.410 133 K HA 0.163 4.497 4.320 0.023 0.000 0.200 133 K C -0.054 176.665 176.600 0.199 0.000 1.023 133 K CA -0.018 56.399 56.287 0.217 0.000 1.149 133 K CB 0.699 33.282 32.500 0.139 0.000 0.859 133 K HN 0.153 nan 8.250 nan 0.000 0.514 134 L N 1.027 122.387 121.223 0.229 0.000 3.843 134 L HA -0.247 4.107 4.340 0.023 0.000 0.411 134 L C -0.756 176.181 176.870 0.112 0.000 1.205 134 L CA 0.379 55.318 54.840 0.165 0.000 0.945 134 L CB -1.526 40.572 42.059 0.065 0.000 1.929 134 L HN 0.292 nan 8.230 nan 0.000 0.934 135 L N 1.156 122.445 121.223 0.109 0.000 2.317 135 L HA 0.535 4.889 4.340 0.023 0.000 0.281 135 L C -1.734 175.181 176.870 0.074 0.000 1.024 135 L CA -1.934 52.953 54.840 0.078 0.000 0.810 135 L CB 1.481 43.580 42.059 0.066 0.000 1.240 135 L HN -0.197 nan 8.230 nan 0.000 0.427 136 P HA 0.026 nan 4.420 nan 0.000 0.262 136 P C -0.791 176.541 177.300 0.052 0.000 1.182 136 P CA 0.145 63.290 63.100 0.075 0.000 0.761 136 P CB 0.878 32.619 31.700 0.067 0.000 0.795 137 V N 0.427 120.374 119.914 0.056 0.000 3.130 137 V HA 0.921 5.054 4.120 0.023 0.000 0.310 137 V C -0.047 176.072 176.094 0.042 0.000 1.158 137 V CA -1.107 61.210 62.300 0.028 0.000 1.029 137 V CB 1.974 33.789 31.823 -0.013 0.000 1.057 137 V HN 0.562 nan 8.190 nan 0.000 0.436 138 G N 1.376 110.190 108.800 0.023 0.000 2.603 138 G HA2 0.743 4.717 3.960 0.023 0.000 0.324 138 G HA3 0.743 4.717 3.960 0.023 0.000 0.324 138 G C -0.469 174.450 174.900 0.032 0.000 1.178 138 G CA -0.689 44.428 45.100 0.029 0.000 1.023 138 G HN 0.814 nan 8.290 nan 0.000 0.482 139 R N 0.846 121.392 120.500 0.077 0.000 2.817 139 R HA 0.560 4.914 4.340 0.023 0.000 0.268 139 R C -0.709 175.660 176.300 0.115 0.000 1.027 139 R CA -0.891 55.267 56.100 0.096 0.000 0.928 139 R CB 1.639 32.003 30.300 0.106 0.000 1.228 139 R HN 0.379 nan 8.270 nan 0.000 0.469 140 T N 1.473 116.090 114.554 0.105 0.000 2.794 140 T HA 0.331 4.695 4.350 0.023 0.000 0.296 140 T C -0.340 174.389 174.700 0.048 0.000 0.949 140 T CA -0.321 61.813 62.100 0.056 0.000 1.101 140 T CB 0.814 69.704 68.868 0.037 0.000 0.905 140 T HN 0.111 nan 8.240 nan 0.000 0.516 141 V N 5.047 124.925 119.914 -0.059 0.000 2.628 141 V HA 0.503 4.636 4.120 0.023 0.000 0.306 141 V C -0.233 175.711 176.094 -0.250 0.000 1.045 141 V CA -1.036 61.150 62.300 -0.189 0.000 0.905 141 V CB 1.928 33.612 31.823 -0.233 0.000 0.997 141 V HN 0.768 nan 8.190 nan 0.000 0.436 142 M N 4.388 123.704 119.600 -0.474 0.000 2.149 142 M HA 0.541 5.035 4.480 0.023 0.000 0.342 142 M C -0.826 175.217 176.300 -0.429 0.000 1.068 142 M CA -0.520 54.461 55.300 -0.532 0.000 0.991 142 M CB 1.212 33.245 32.600 -0.945 0.000 1.596 142 M HN 0.341 nan 8.290 nan 0.000 0.439 143 V N 4.223 124.024 119.914 -0.188 0.000 2.495 143 V HA 0.519 4.653 4.120 0.023 0.000 0.298 143 V C -0.485 175.588 176.094 -0.036 0.000 1.031 143 V CA -0.780 61.474 62.300 -0.076 0.000 0.871 143 V CB 1.986 33.815 31.823 0.011 0.000 0.988 143 V HN 0.766 nan 8.190 nan 0.000 0.432 144 N N 3.878 122.566 118.700 -0.020 0.000 2.346 144 N HA 0.553 5.307 4.740 0.023 0.000 0.289 144 N C -1.041 174.413 175.510 -0.092 0.000 1.027 144 N CA -0.593 52.440 53.050 -0.028 0.000 0.864 144 N CB 2.012 40.514 38.487 0.026 0.000 1.370 144 N HN 0.427 nan 8.380 nan 0.000 0.481 145 I N 1.181 121.651 120.570 -0.167 0.000 2.301 145 I HA 0.199 4.383 4.170 0.023 0.000 0.292 145 I C 0.592 176.617 176.117 -0.153 0.000 1.046 145 I CA -0.276 60.858 61.300 -0.277 0.000 1.282 145 I CB 0.345 37.918 38.000 -0.712 0.000 1.409 145 I HN 0.537 nan 8.210 nan 0.000 0.484 146 E N 6.616 126.743 120.200 -0.120 0.000 2.171 146 E HA 0.261 4.625 4.350 0.023 0.000 0.271 146 E C -0.353 175.999 176.600 -0.413 0.000 0.916 146 E CA -0.731 55.555 56.400 -0.190 0.000 0.774 146 E CB 1.324 30.930 29.700 -0.156 0.000 1.128 146 E HN 0.646 nan 8.360 nan 0.000 0.403 147 N N 3.927 122.201 118.700 -0.711 0.000 2.347 147 N HA 0.170 4.924 4.740 0.023 0.000 0.253 147 N C -2.116 172.811 175.510 -0.971 0.000 1.274 147 N CA -1.621 50.515 53.050 -1.524 0.000 0.941 147 N CB -0.029 37.709 38.487 -1.248 0.000 1.200 147 N HN 0.200 nan 8.380 nan 0.000 0.514 148 P HA -0.172 nan 4.420 nan 0.000 0.217 148 P C 0.619 177.718 177.300 -0.335 0.000 1.151 148 P CA 1.757 64.543 63.100 -0.524 0.000 0.849 148 P CB 0.073 31.542 31.700 -0.385 0.000 0.787 149 E N -1.786 118.224 120.200 -0.317 0.000 2.204 149 E HA -0.054 4.310 4.350 0.023 0.000 0.195 149 E C 1.411 177.902 176.600 -0.183 0.000 0.990 149 E CA 1.009 57.287 56.400 -0.202 0.000 0.821 149 E CB -0.496 29.104 29.700 -0.167 0.000 0.750 149 E HN 0.288 nan 8.360 nan 0.000 0.477 150 G N 0.574 109.236 108.800 -0.231 0.000 2.163 150 G HA2 -0.174 3.800 3.960 0.023 0.000 0.213 150 G HA3 -0.174 3.800 3.960 0.023 0.000 0.213 150 G C 0.073 174.881 174.900 -0.154 0.000 0.991 150 G CA -0.313 44.680 45.100 -0.178 0.000 0.653 150 G HN 0.075 nan 8.290 nan 0.000 0.518 151 I N 2.397 122.863 120.570 -0.174 0.000 2.331 151 I HA 0.336 4.520 4.170 0.023 0.000 0.292 151 I C -1.932 174.110 176.117 -0.125 0.000 0.998 151 I CA -3.158 58.068 61.300 -0.123 0.000 1.267 151 I CB 0.844 38.785 38.000 -0.098 0.000 1.386 151 I HN -0.088 nan 8.210 nan 0.000 0.476 152 P HA 0.056 nan 4.420 nan 0.000 0.271 152 P C 0.657 177.949 177.300 -0.013 0.000 1.226 152 P CA 0.046 63.114 63.100 -0.053 0.000 0.765 152 P CB 1.058 32.743 31.700 -0.024 0.000 0.835 153 V N 0.334 120.257 119.914 0.015 0.000 3.578 153 V HA 0.385 4.519 4.120 0.023 0.000 0.290 153 V C 0.468 176.632 176.094 0.115 0.000 1.376 153 V CA 0.391 62.752 62.300 0.103 0.000 1.083 153 V CB -0.854 31.116 31.823 0.244 0.000 0.911 153 V HN 0.487 nan 8.190 nan 0.000 0.433 154 K N 0.455 120.881 120.400 0.043 0.000 2.580 154 K HA 0.471 4.805 4.320 0.023 0.000 0.258 154 K C -1.528 175.080 176.600 0.013 0.000 0.936 154 K CA -0.353 55.965 56.287 0.053 0.000 0.852 154 K CB 2.080 34.627 32.500 0.078 0.000 1.329 154 K HN 0.418 nan 8.250 nan 0.000 0.430 155 Q N 1.776 121.598 119.800 0.035 0.000 2.387 155 Q HA 0.464 4.818 4.340 0.023 0.000 0.273 155 Q C -1.627 174.389 176.000 0.026 0.000 1.089 155 Q CA -1.067 54.750 55.803 0.024 0.000 0.824 155 Q CB 2.436 31.193 28.738 0.031 0.000 1.367 155 Q HN 0.520 nan 8.270 nan 0.000 0.443 156 D N -0.174 120.230 120.400 0.006 0.000 2.706 156 D HA 0.297 4.950 4.640 0.023 0.000 0.225 156 D C -1.804 174.476 176.300 -0.032 0.000 1.241 156 D CA -0.184 53.818 54.000 0.002 0.000 0.784 156 D CB 2.410 43.223 40.800 0.021 0.000 1.521 156 D HN 0.339 nan 8.370 nan 0.000 0.461 157 S N 1.872 117.554 115.700 -0.029 0.000 2.605 157 S HA 0.798 5.282 4.470 0.023 0.000 0.308 157 S C -1.443 173.133 174.600 -0.040 0.000 1.113 157 S CA -0.468 57.702 58.200 -0.049 0.000 1.049 157 S CB 0.158 63.339 63.200 -0.032 0.000 1.001 157 S HN 0.315 nan 8.310 nan 0.000 0.480 158 L N 2.678 123.869 121.223 -0.055 0.000 2.327 158 L HA 0.720 5.074 4.340 0.023 0.000 0.258 158 L C -0.061 176.784 176.870 -0.041 0.000 1.024 158 L CA -0.644 54.168 54.840 -0.047 0.000 0.825 158 L CB 1.908 43.931 42.059 -0.059 0.000 1.386 158 L HN 0.574 nan 8.230 nan 0.000 0.417 159 S N -1.027 114.654 115.700 -0.031 0.000 2.501 159 S HA 0.498 4.982 4.470 0.023 0.000 0.301 159 S C 0.491 175.077 174.600 -0.024 0.000 1.096 159 S CA -0.037 58.153 58.200 -0.017 0.000 1.063 159 S CB 1.242 64.438 63.200 -0.007 0.000 1.042 159 S HN 0.706 nan 8.310 nan 0.000 0.494 160 S N 3.261 118.955 115.700 -0.009 0.000 2.577 160 S HA 0.219 4.703 4.470 0.023 0.000 0.219 160 S C 0.305 174.902 174.600 -0.005 0.000 0.962 160 S CA -0.403 57.788 58.200 -0.016 0.000 0.921 160 S CB -0.299 62.900 63.200 -0.003 0.000 0.789 160 S HN 0.796 nan 8.310 nan 0.000 0.497 161 Q N 2.015 121.814 119.800 -0.001 0.000 2.330 161 Q HA 0.193 4.547 4.340 0.023 0.000 0.279 161 Q C -0.114 175.882 176.000 -0.007 0.000 1.024 161 Q CA -0.073 55.730 55.803 -0.000 0.000 0.900 161 Q CB 0.142 28.880 28.738 0.001 0.000 1.221 161 Q HN 0.359 nan 8.270 nan 0.000 0.396 162 N N 1.230 119.927 118.700 -0.004 0.000 2.800 162 N HA -0.176 4.578 4.740 0.023 0.000 0.250 162 N C -0.243 175.259 175.510 -0.013 0.000 1.078 162 N CA 0.876 53.922 53.050 -0.007 0.000 0.804 162 N CB -0.579 37.903 38.487 -0.009 0.000 1.135 162 N HN 0.618 nan 8.380 nan 0.000 0.565 163 Q N 0.228 120.020 119.800 -0.014 0.000 2.219 163 Q HA 0.230 4.583 4.340 0.023 0.000 0.209 163 Q C 0.480 176.474 176.000 -0.010 0.000 0.854 163 Q CA -0.366 55.423 55.803 -0.023 0.000 0.960 163 Q CB 0.483 29.197 28.738 -0.042 0.000 1.116 163 Q HN 0.292 nan 8.270 nan 0.000 0.500 164 L N 0.473 121.698 121.223 0.004 0.000 3.737 164 L HA -0.274 4.080 4.340 0.023 0.000 0.418 164 L C 0.989 177.885 176.870 0.044 0.000 1.216 164 L CA 1.447 56.299 54.840 0.020 0.000 0.915 164 L CB -2.804 39.264 42.059 0.016 0.000 1.834 164 L HN 0.526 nan 8.230 nan 0.000 0.943 165 G N -2.123 106.702 108.800 0.042 0.000 2.184 165 G HA2 -0.273 3.700 3.960 0.023 0.000 0.264 165 G HA3 -0.273 3.700 3.960 0.023 0.000 0.264 165 G C 0.256 175.197 174.900 0.069 0.000 0.975 165 G CA 0.227 45.373 45.100 0.076 0.000 0.642 165 G HN 0.528 nan 8.290 nan 0.000 0.536 166 V N 0.826 120.735 119.914 -0.009 0.000 2.378 166 V HA 0.665 4.799 4.120 0.023 0.000 0.288 166 V C -0.144 175.834 176.094 -0.194 0.000 1.016 166 V CA -0.788 61.420 62.300 -0.153 0.000 0.840 166 V CB 1.671 33.435 31.823 -0.099 0.000 0.994 166 V HN 0.338 nan 8.190 nan 0.000 0.431 167 L N 9.090 130.147 121.223 -0.277 0.000 2.313 167 L HA 0.627 4.981 4.340 0.023 0.000 0.273 167 L C -2.557 174.139 176.870 -0.290 0.000 1.028 167 L CA -1.861 52.843 54.840 -0.227 0.000 0.871 167 L CB 1.473 43.421 42.059 -0.185 0.000 1.242 167 L HN 0.372 nan 8.230 nan 0.000 0.434 168 P HA 0.309 nan 4.420 nan 0.000 0.276 168 P C -0.916 176.185 177.300 -0.331 0.000 1.253 168 P CA 0.140 63.073 63.100 -0.278 0.000 0.766 168 P CB 0.728 32.315 31.700 -0.188 0.000 0.845 169 L N 1.794 122.691 121.223 -0.543 0.000 2.250 169 L HA 0.802 5.156 4.340 0.023 0.000 0.252 169 L C 0.071 176.547 176.870 -0.657 0.000 1.054 169 L CA -0.842 53.599 54.840 -0.665 0.000 0.856 169 L CB 2.180 43.648 42.059 -0.985 0.000 1.443 169 L HN 0.340 nan 8.230 nan 0.000 0.427 170 S N -1.242 114.262 115.700 -0.326 0.000 2.537 170 S HA 0.608 5.091 4.470 0.023 0.000 0.271 170 S C -2.140 172.632 174.600 0.287 0.000 1.148 170 S CA -0.754 57.451 58.200 0.008 0.000 0.868 170 S CB 1.873 65.046 63.200 -0.044 0.000 1.115 170 S HN 0.639 nan 8.310 nan 0.000 0.461 171 W N 1.973 123.312 121.300 0.064 0.000 2.957 171 W HA 0.593 5.267 4.660 0.022 0.000 0.336 171 W C -2.015 174.433 176.519 -0.118 0.000 1.087 171 W CA -0.420 56.917 57.345 -0.014 0.000 1.235 171 W CB 1.565 31.011 29.460 -0.023 0.000 1.399 171 W HN 0.688 nan 8.180 nan 0.000 0.480 172 D N 5.886 125.830 120.400 -0.760 0.000 2.280 172 D HA 0.283 4.936 4.640 0.023 0.000 0.243 172 D C 0.165 175.683 176.300 -1.303 0.000 1.129 172 D CA 0.115 53.654 54.000 -0.769 0.000 0.848 172 D CB 1.167 41.695 40.800 -0.453 0.000 1.107 172 D HN 0.277 nan 8.370 nan 0.000 0.471 173 I N 4.042 123.995 120.570 -1.028 0.000 2.396 173 I HA 0.157 4.340 4.170 0.023 0.000 0.289 173 I C -1.989 173.813 176.117 -0.526 0.000 1.056 173 I CA -1.785 58.937 61.300 -0.963 0.000 1.365 173 I CB 0.546 38.199 38.000 -0.578 0.000 1.407 173 I HN -0.005 nan 8.210 nan 0.000 0.509 174 P HA 0.036 nan 4.420 nan 0.000 0.269 174 P C 0.553 177.769 177.300 -0.140 0.000 1.209 174 P CA -0.215 62.758 63.100 -0.212 0.000 0.776 174 P CB 0.666 32.299 31.700 -0.112 0.000 0.876 175 E N 1.023 121.163 120.200 -0.101 0.000 2.085 175 E HA -0.126 4.237 4.350 0.023 0.000 0.194 175 E C 0.540 177.120 176.600 -0.033 0.000 0.994 175 E CA 1.184 57.543 56.400 -0.068 0.000 0.801 175 E CB -0.165 29.502 29.700 -0.055 0.000 0.743 175 E HN 0.453 nan 8.360 nan 0.000 0.453 176 L N 1.259 122.473 121.223 -0.015 0.000 2.261 176 L HA 0.261 4.614 4.340 0.023 0.000 0.289 176 L C -0.253 176.651 176.870 0.056 0.000 1.059 176 L CA -0.455 54.398 54.840 0.021 0.000 0.816 176 L CB 1.403 43.477 42.059 0.026 0.000 1.191 176 L HN -0.182 nan 8.230 nan 0.000 0.431 177 V N 3.686 123.653 119.914 0.090 0.000 3.077 177 V HA 0.402 4.535 4.120 0.023 0.000 0.299 177 V C -0.995 175.243 176.094 0.241 0.000 1.276 177 V CA -0.888 61.522 62.300 0.183 0.000 0.993 177 V CB 2.583 34.473 31.823 0.111 0.000 1.076 177 V HN 0.693 nan 8.190 nan 0.000 0.434 178 N N 6.018 124.935 118.700 0.361 0.000 2.483 178 N HA 0.309 5.063 4.740 0.023 0.000 0.264 178 N C -0.168 175.574 175.510 0.387 0.000 1.197 178 N CA -0.063 53.163 53.050 0.292 0.000 0.927 178 N CB 0.485 39.087 38.487 0.191 0.000 1.065 178 N HN 0.604 nan 8.380 nan 0.000 0.461 179 M N 1.158 120.900 119.600 0.236 0.000 2.250 179 M HA 0.476 4.970 4.480 0.023 0.000 0.344 179 M C 1.183 177.599 176.300 0.194 0.000 1.150 179 M CA -0.103 55.336 55.300 0.231 0.000 1.147 179 M CB 0.268 32.955 32.600 0.145 0.000 1.498 179 M HN 0.751 nan 8.290 nan 0.000 0.461 180 G N 1.825 110.753 108.800 0.213 0.000 2.302 180 G HA2 -0.010 3.963 3.960 0.023 0.000 0.276 180 G HA3 -0.010 3.963 3.960 0.023 0.000 0.276 180 G C -1.521 173.463 174.900 0.141 0.000 1.316 180 G CA -0.881 44.288 45.100 0.115 0.000 0.988 180 G HN 0.506 nan 8.290 nan 0.000 0.479 181 Q N -0.121 119.685 119.800 0.009 0.000 2.314 181 Q HA 0.386 4.740 4.340 0.023 0.000 0.257 181 Q C -0.930 174.970 176.000 -0.166 0.000 0.975 181 Q CA 0.117 55.901 55.803 -0.033 0.000 0.933 181 Q CB 1.052 29.760 28.738 -0.049 0.000 1.195 181 Q HN 0.421 nan 8.270 nan 0.000 0.426 182 W N 2.697 123.692 121.300 -0.508 0.000 2.449 182 W HA 0.323 4.997 4.660 0.023 0.000 0.331 182 W C 0.352 176.488 176.519 -0.638 0.000 1.119 182 W CA -0.415 56.509 57.345 -0.701 0.000 1.240 182 W CB 0.995 29.740 29.460 -1.193 0.000 1.251 182 W HN 0.165 nan 8.180 nan 0.000 0.576 183 K N 3.486 123.772 120.400 -0.190 0.000 2.259 183 K HA 0.611 4.945 4.320 0.023 0.000 0.249 183 K C -0.953 175.651 176.600 0.007 0.000 0.942 183 K CA -0.935 55.306 56.287 -0.075 0.000 0.816 183 K CB 2.101 34.546 32.500 -0.092 0.000 1.155 183 K HN 0.448 nan 8.250 nan 0.000 0.428 184 I N 3.584 124.181 120.570 0.045 0.000 2.437 184 I HA 0.224 4.408 4.170 0.023 0.000 0.279 184 I C -0.226 175.899 176.117 0.014 0.000 1.028 184 I CA -0.855 60.434 61.300 -0.017 0.000 1.142 184 I CB 0.929 38.869 38.000 -0.099 0.000 1.266 184 I HN 0.172 nan 8.210 nan 0.000 0.461 185 R N 4.960 125.469 120.500 0.014 0.000 2.349 185 R HA 0.834 5.188 4.340 0.023 0.000 0.299 185 R C -0.521 175.839 176.300 0.099 0.000 1.027 185 R CA -0.568 55.576 56.100 0.073 0.000 0.958 185 R CB 1.814 32.158 30.300 0.074 0.000 1.047 185 R HN 0.641 nan 8.270 nan 0.000 0.468 186 A N 2.572 125.488 122.820 0.160 0.000 2.539 186 A HA 0.786 5.120 4.320 0.023 0.000 0.296 186 A C -1.660 176.073 177.584 0.248 0.000 1.073 186 A CA -0.834 51.259 52.037 0.094 0.000 0.700 186 A CB 1.612 20.622 19.000 0.017 0.000 1.296 186 A HN 0.777 nan 8.150 nan 0.000 0.405 187 Y N -1.917 118.387 120.300 0.007 0.000 2.604 187 Y HA 0.647 5.210 4.550 0.023 0.000 0.331 187 Y C -1.354 174.517 175.900 -0.048 0.000 1.158 187 Y CA -1.529 56.593 58.100 0.037 0.000 1.056 187 Y CB 0.330 38.832 38.460 0.070 0.000 1.330 187 Y HN 0.626 nan 8.280 nan 0.000 0.457 188 Y N 2.095 122.514 120.300 0.198 0.000 2.480 188 Y HA 0.063 4.627 4.550 0.023 0.000 0.338 188 Y C 1.826 177.818 175.900 0.154 0.000 1.220 188 Y CA 0.530 58.677 58.100 0.080 0.000 1.430 188 Y CB 1.055 39.550 38.460 0.059 0.000 1.311 188 Y HN 0.928 nan 8.280 nan 0.000 0.575 189 E N 1.577 121.915 120.200 0.230 0.000 2.118 189 E HA -0.278 4.086 4.350 0.023 0.000 0.195 189 E C 1.229 177.957 176.600 0.213 0.000 0.992 189 E CA 1.550 58.063 56.400 0.188 0.000 0.804 189 E CB 0.099 29.862 29.700 0.104 0.000 0.741 189 E HN 0.719 nan 8.360 nan 0.000 0.458 190 N N 0.258 119.066 118.700 0.180 0.000 2.244 190 N HA -0.088 4.666 4.740 0.023 0.000 0.183 190 N C 0.309 175.897 175.510 0.129 0.000 1.016 190 N CA 1.202 54.326 53.050 0.123 0.000 0.866 190 N CB 0.147 38.670 38.487 0.060 0.000 0.980 190 N HN 0.044 nan 8.380 nan 0.000 0.430 191 S N -0.392 115.421 115.700 0.188 0.000 2.252 191 S HA 0.446 4.930 4.470 0.023 0.000 0.187 191 S C -2.353 172.342 174.600 0.158 0.000 1.587 191 S CA -1.276 57.010 58.200 0.143 0.000 1.215 191 S CB 2.231 65.506 63.200 0.125 0.000 1.085 191 S HN -0.116 nan 8.310 nan 0.000 0.466 192 P HA -0.057 nan 4.420 nan 0.000 0.219 192 P C 1.507 178.596 177.300 -0.351 0.000 1.150 192 P CA 0.876 63.804 63.100 -0.288 0.000 0.814 192 P CB 0.147 31.714 31.700 -0.223 0.000 0.787 193 Q N -0.609 119.091 119.800 -0.167 0.000 2.112 193 Q HA -0.173 4.181 4.340 0.023 0.000 0.206 193 Q C 1.168 177.071 176.000 -0.162 0.000 0.987 193 Q CA 1.306 57.018 55.803 -0.151 0.000 0.858 193 Q CB -0.889 27.794 28.738 -0.093 0.000 0.905 193 Q HN 0.154 nan 8.270 nan 0.000 0.420 194 Q N 0.262 119.992 119.800 -0.117 0.000 2.423 194 Q HA 0.253 4.607 4.340 0.023 0.000 0.235 194 Q C -1.630 174.249 176.000 -0.202 0.000 1.100 194 Q CA -0.109 55.586 55.803 -0.179 0.000 0.908 194 Q CB 0.686 29.368 28.738 -0.095 0.000 1.312 194 Q HN -0.044 nan 8.270 nan 0.000 0.497 195 V N 5.640 125.384 119.914 -0.283 0.000 2.398 195 V HA 0.462 4.596 4.120 0.023 0.000 0.286 195 V C -0.507 175.426 176.094 -0.269 0.000 1.026 195 V CA -0.639 61.583 62.300 -0.131 0.000 0.868 195 V CB 0.668 32.445 31.823 -0.077 0.000 0.982 195 V HN 0.553 nan 8.190 nan 0.000 0.443 196 F N 2.243 122.218 119.950 0.043 0.000 2.420 196 F HA 0.673 5.214 4.527 0.023 0.000 0.342 196 F C 0.781 176.605 175.800 0.039 0.000 1.113 196 F CA -0.079 57.936 58.000 0.026 0.000 1.059 196 F CB 1.781 40.765 39.000 -0.027 0.000 1.128 196 F HN 0.421 nan 8.300 nan 0.000 0.475 197 S N 0.613 116.432 115.700 0.198 0.000 2.634 197 S HA 0.850 5.333 4.470 0.023 0.000 0.296 197 S C -0.834 173.857 174.600 0.152 0.000 1.104 197 S CA -0.857 57.424 58.200 0.135 0.000 0.920 197 S CB 2.273 65.516 63.200 0.072 0.000 1.111 197 S HN 0.539 nan 8.310 nan 0.000 0.493 198 T N 1.817 116.451 114.554 0.133 0.000 3.041 198 T HA 0.353 4.717 4.350 0.023 0.000 0.321 198 T C -1.409 173.393 174.700 0.170 0.000 1.184 198 T CA -0.711 61.485 62.100 0.160 0.000 1.050 198 T CB 1.579 70.560 68.868 0.187 0.000 1.159 198 T HN 0.566 nan 8.240 nan 0.000 0.469 199 E N 1.947 122.248 120.200 0.168 0.000 2.214 199 E HA 0.678 5.042 4.350 0.023 0.000 0.274 199 E C -1.070 175.700 176.600 0.282 0.000 0.977 199 E CA -0.863 55.623 56.400 0.143 0.000 0.827 199 E CB 1.625 31.365 29.700 0.066 0.000 1.130 199 E HN 0.587 nan 8.360 nan 0.000 0.394 200 F N -0.853 119.209 119.950 0.186 0.000 2.574 200 F HA 0.430 4.971 4.527 0.023 0.000 0.313 200 F C -0.570 175.408 175.800 0.297 0.000 1.130 200 F CA -1.149 57.008 58.000 0.262 0.000 0.936 200 F CB 1.151 40.363 39.000 0.353 0.000 1.219 200 F HN 0.271 nan 8.300 nan 0.000 0.445 201 E N 2.808 123.207 120.200 0.332 0.000 2.283 201 E HA 0.521 4.885 4.350 0.023 0.000 0.278 201 E C -1.479 175.346 176.600 0.375 0.000 1.027 201 E CA -0.739 55.807 56.400 0.243 0.000 0.843 201 E CB 1.716 31.513 29.700 0.161 0.000 1.062 201 E HN 0.683 nan 8.360 nan 0.000 0.401 202 V N 5.640 125.744 119.914 0.317 0.000 2.347 202 V HA 0.396 4.530 4.120 0.023 0.000 0.280 202 V C -0.124 176.128 176.094 0.264 0.000 1.021 202 V CA -0.378 62.102 62.300 0.300 0.000 0.847 202 V CB 1.194 33.106 31.823 0.149 0.000 0.990 202 V HN 0.633 nan 8.190 nan 0.000 0.444 203 K N 3.432 124.007 120.400 0.291 0.000 2.551 203 K HA 0.482 4.816 4.320 0.023 0.000 0.269 203 K C -0.993 175.749 176.600 0.237 0.000 0.949 203 K CA -0.736 55.709 56.287 0.263 0.000 0.849 203 K CB 2.515 35.177 32.500 0.270 0.000 1.411 203 K HN 0.665 nan 8.250 nan 0.000 0.432 204 E N 3.009 123.289 120.200 0.133 0.000 2.152 204 E HA 0.196 4.560 4.350 0.023 0.000 0.285 204 E C -1.215 175.437 176.600 0.086 0.000 1.043 204 E CA -0.257 56.152 56.400 0.015 0.000 0.839 204 E CB 0.428 30.133 29.700 0.008 0.000 1.069 204 E HN 0.404 nan 8.360 nan 0.000 0.399 205 Y N -0.273 120.028 120.300 0.003 0.000 2.705 205 Y HA 0.655 5.219 4.550 0.023 0.000 0.332 205 Y C -1.233 174.657 175.900 -0.017 0.000 1.221 205 Y CA -1.454 56.640 58.100 -0.010 0.000 1.059 205 Y CB 0.725 39.175 38.460 -0.017 0.000 1.298 205 Y HN 0.138 nan 8.280 nan 0.000 0.459 206 V N -0.342 119.715 119.914 0.237 0.000 2.925 206 V HA 0.578 4.712 4.120 0.023 0.000 0.311 206 V C -0.613 175.591 176.094 0.183 0.000 1.104 206 V CA -1.419 60.971 62.300 0.151 0.000 0.954 206 V CB 1.624 33.479 31.823 0.054 0.000 1.022 206 V HN 0.989 nan 8.190 nan 0.000 0.427 207 L N 4.104 125.412 121.223 0.142 0.000 2.525 207 L HA 0.164 4.518 4.340 0.023 0.000 0.278 207 L C -0.957 175.928 176.870 0.024 0.000 1.218 207 L CA -0.832 54.051 54.840 0.072 0.000 0.878 207 L CB 0.527 42.620 42.059 0.058 0.000 1.127 207 L HN 0.588 nan 8.230 nan 0.000 0.492 208 P HA -0.224 nan 4.420 nan 0.000 0.214 208 P C 1.079 178.327 177.300 -0.086 0.000 1.163 208 P CA 1.600 64.622 63.100 -0.131 0.000 0.889 208 P CB 0.242 31.804 31.700 -0.230 0.000 0.790 209 S N -4.195 111.514 115.700 0.014 0.000 1.367 209 S HA -0.123 4.361 4.470 0.023 0.000 0.250 209 S C -0.121 174.660 174.600 0.301 0.000 0.708 209 S CA 0.460 58.783 58.200 0.206 0.000 1.108 209 S CB -1.991 61.398 63.200 0.315 0.000 1.215 209 S HN 0.239 nan 8.310 nan 0.000 0.495 210 F N 2.324 122.271 119.950 -0.006 0.000 2.645 210 F HA 0.854 5.394 4.527 0.022 0.000 0.310 210 F C -0.806 174.927 175.800 -0.113 0.000 1.102 210 F CA -0.322 57.596 58.000 -0.136 0.000 0.952 210 F CB 0.962 39.688 39.000 -0.457 0.000 1.326 210 F HN 0.330 nan 8.300 nan 0.000 0.456 211 E N 1.165 121.374 120.200 0.015 0.000 2.222 211 E HA 0.737 5.100 4.350 0.023 0.000 0.272 211 E C -1.736 174.891 176.600 0.045 0.000 0.982 211 E CA -1.175 55.197 56.400 -0.048 0.000 0.842 211 E CB 2.476 32.171 29.700 -0.008 0.000 1.144 211 E HN 0.537 nan 8.360 nan 0.000 0.397 212 V N 2.953 122.861 119.914 -0.010 0.000 2.483 212 V HA 0.306 4.440 4.120 0.023 0.000 0.297 212 V C -0.826 175.268 176.094 0.001 0.000 1.027 212 V CA -0.755 61.561 62.300 0.027 0.000 0.855 212 V CB 1.210 33.053 31.823 0.032 0.000 0.995 212 V HN 0.596 nan 8.190 nan 0.000 0.424 213 I N 5.313 125.886 120.570 0.005 0.000 2.339 213 I HA 0.391 4.575 4.170 0.023 0.000 0.290 213 I C -0.058 176.057 176.117 -0.005 0.000 0.994 213 I CA -0.284 61.016 61.300 -0.001 0.000 1.191 213 I CB 1.854 39.855 38.000 0.001 0.000 1.343 213 I HN 0.285 nan 8.210 nan 0.000 0.458 214 V N 5.653 125.562 119.914 -0.009 0.000 2.318 214 V HA 0.383 4.517 4.120 0.023 0.000 0.271 214 V C -0.076 176.017 176.094 -0.002 0.000 1.030 214 V CA -0.512 61.780 62.300 -0.013 0.000 0.844 214 V CB 0.905 32.710 31.823 -0.030 0.000 1.015 214 V HN 0.689 nan 8.190 nan 0.000 0.460 215 E N 7.958 128.160 120.200 0.003 0.000 2.186 215 E HA 0.513 4.877 4.350 0.023 0.000 0.255 215 E C -2.870 173.737 176.600 0.012 0.000 0.881 215 E CA -2.168 54.237 56.400 0.007 0.000 0.752 215 E CB 2.047 31.749 29.700 0.004 0.000 1.176 215 E HN 0.363 nan 8.360 nan 0.000 0.421 216 P HA 0.068 nan 4.420 nan 0.000 0.275 216 P C 0.673 177.960 177.300 -0.021 0.000 1.228 216 P CA -0.209 62.899 63.100 0.012 0.000 0.786 216 P CB 1.059 32.769 31.700 0.018 0.000 0.927 217 T N -0.983 113.552 114.554 -0.030 0.000 2.699 217 T HA -0.123 4.240 4.350 0.023 0.000 0.268 217 T C 0.538 175.170 174.700 -0.113 0.000 1.036 217 T CA 1.303 63.371 62.100 -0.054 0.000 1.147 217 T CB -0.394 68.445 68.868 -0.047 0.000 0.862 217 T HN 0.333 nan 8.240 nan 0.000 0.446 218 E N 0.618 120.704 120.200 -0.190 0.000 2.199 218 E HA 0.359 4.722 4.350 0.023 0.000 0.269 218 E C 0.394 176.809 176.600 -0.307 0.000 0.899 218 E CA -0.517 55.645 56.400 -0.396 0.000 0.772 218 E CB 2.036 31.253 29.700 -0.805 0.000 1.155 218 E HN 0.345 nan 8.360 nan 0.000 0.408 219 K N 1.367 121.644 120.400 -0.204 0.000 2.360 219 K HA -0.067 4.267 4.320 0.023 0.000 0.201 219 K C 0.751 177.407 176.600 0.093 0.000 1.046 219 K CA 1.180 57.472 56.287 0.008 0.000 0.945 219 K CB -0.235 32.339 32.500 0.123 0.000 0.750 219 K HN 0.322 nan 8.250 nan 0.000 0.464 220 F N -2.521 117.462 119.950 0.055 0.000 2.639 220 F HA 0.497 5.038 4.527 0.024 0.000 0.339 220 F C -0.722 175.164 175.800 0.143 0.000 1.071 220 F CA -1.946 56.100 58.000 0.076 0.000 0.994 220 F CB 0.585 39.600 39.000 0.024 0.000 1.341 220 F HN -0.233 nan 8.300 nan 0.000 0.498 221 Y N 1.653 122.105 120.300 0.253 0.000 2.332 221 Y HA 0.398 4.962 4.550 0.022 0.000 0.326 221 Y C -1.481 174.577 175.900 0.263 0.000 0.978 221 Y CA -1.804 56.384 58.100 0.147 0.000 1.205 221 Y CB 0.602 39.086 38.460 0.039 0.000 1.131 221 Y HN 0.694 nan 8.280 nan 0.000 0.462 222 Y N 7.494 127.564 120.300 -0.384 0.000 2.496 222 Y HA 0.109 4.672 4.550 0.023 0.000 0.334 222 Y C 1.119 176.483 175.900 -0.893 0.000 1.080 222 Y CA -0.306 57.548 58.100 -0.409 0.000 1.355 222 Y CB 0.644 39.010 38.460 -0.157 0.000 1.193 222 Y HN 0.851 nan 8.280 nan 0.000 0.523 223 I N 6.174 126.127 120.570 -1.030 0.000 2.423 223 I HA -0.288 3.896 4.170 0.023 0.000 0.254 223 I C 0.592 176.121 176.117 -0.980 0.000 1.151 223 I CA 1.662 62.392 61.300 -0.949 0.000 1.421 223 I CB -0.450 37.017 38.000 -0.887 0.000 1.079 223 I HN 0.666 nan 8.210 nan 0.000 0.431 224 Y N -0.486 119.175 120.300 -1.065 0.000 2.571 224 Y HA 0.326 4.889 4.550 0.023 0.000 0.275 224 Y C 0.662 176.383 175.900 -0.298 0.000 1.179 224 Y CA -0.941 56.793 58.100 -0.609 0.000 1.242 224 Y CB -1.070 37.059 38.460 -0.551 0.000 1.126 224 Y HN 0.106 nan 8.280 nan 0.000 0.524 225 N N 1.707 120.282 118.700 -0.209 0.000 2.401 225 N HA -0.010 4.744 4.740 0.023 0.000 0.255 225 N C 0.914 176.466 175.510 0.071 0.000 1.110 225 N CA 0.227 53.285 53.050 0.015 0.000 0.949 225 N CB 0.710 39.178 38.487 -0.032 0.000 1.110 225 N HN 0.169 nan 8.380 nan 0.000 0.490 226 E N 3.422 123.669 120.200 0.078 0.000 2.153 226 E HA -0.176 4.188 4.350 0.023 0.000 0.194 226 E C 0.921 177.560 176.600 0.064 0.000 0.988 226 E CA 1.064 57.503 56.400 0.066 0.000 0.811 226 E CB 0.077 29.806 29.700 0.048 0.000 0.746 226 E HN 0.664 nan 8.360 nan 0.000 0.466 227 K N 0.360 120.802 120.400 0.070 0.000 2.152 227 K HA -0.070 4.264 4.320 0.023 0.000 0.206 227 K C 1.185 177.818 176.600 0.055 0.000 1.048 227 K CA 0.867 57.185 56.287 0.052 0.000 0.933 227 K CB -0.176 32.353 32.500 0.049 0.000 0.721 227 K HN 0.223 nan 8.250 nan 0.000 0.447 228 G N 0.834 109.725 108.800 0.152 0.000 2.660 228 G HA2 -0.250 3.724 3.960 0.023 0.000 0.215 228 G HA3 -0.250 3.724 3.960 0.023 0.000 0.215 228 G C -1.225 173.729 174.900 0.089 0.000 1.345 228 G CA -0.544 44.631 45.100 0.126 0.000 0.877 228 G HN 0.146 nan 8.290 nan 0.000 0.549 229 L N 1.365 122.450 121.223 -0.231 0.000 2.278 229 L HA 0.585 4.939 4.340 0.023 0.000 0.287 229 L C 0.503 177.306 176.870 -0.112 0.000 1.072 229 L CA -0.070 54.665 54.840 -0.175 0.000 0.819 229 L CB 0.356 42.204 42.059 -0.353 0.000 1.176 229 L HN 0.544 nan 8.230 nan 0.000 0.435 230 E N 4.252 124.443 120.200 -0.015 0.000 2.156 230 E HA 0.527 4.891 4.350 0.023 0.000 0.279 230 E C -1.131 175.497 176.600 0.046 0.000 0.965 230 E CA -0.659 55.746 56.400 0.007 0.000 0.789 230 E CB 2.109 31.810 29.700 0.002 0.000 1.098 230 E HN 0.361 nan 8.360 nan 0.000 0.397 231 V N 2.738 122.704 119.914 0.087 0.000 2.656 231 V HA 0.318 4.452 4.120 0.023 0.000 0.307 231 V C -0.288 175.838 176.094 0.052 0.000 1.051 231 V CA -0.740 61.614 62.300 0.090 0.000 0.893 231 V CB 2.363 34.282 31.823 0.160 0.000 0.999 231 V HN 0.692 nan 8.190 nan 0.000 0.426 232 T N 5.882 120.451 114.554 0.026 0.000 2.758 232 T HA 0.538 4.902 4.350 0.023 0.000 0.285 232 T C -0.317 174.384 174.700 0.003 0.000 0.981 232 T CA -0.273 61.834 62.100 0.012 0.000 0.965 232 T CB 0.677 69.548 68.868 0.005 0.000 0.927 232 T HN 0.295 nan 8.240 nan 0.000 0.448 233 I N 4.049 124.616 120.570 -0.004 0.000 2.297 233 I HA 0.249 4.433 4.170 0.023 0.000 0.291 233 I C 0.625 176.733 176.117 -0.014 0.000 1.033 233 I CA -0.372 60.921 61.300 -0.012 0.000 1.253 233 I CB 0.483 38.471 38.000 -0.020 0.000 1.396 233 I HN 0.528 nan 8.210 nan 0.000 0.476 234 T N 6.119 120.667 114.554 -0.009 0.000 2.767 234 T HA 0.680 5.044 4.350 0.023 0.000 0.284 234 T C 0.088 174.783 174.700 -0.007 0.000 0.973 234 T CA -0.494 61.599 62.100 -0.012 0.000 0.996 234 T CB 1.490 70.354 68.868 -0.006 0.000 0.927 234 T HN 0.700 nan 8.240 nan 0.000 0.456 235 A N 4.570 127.370 122.820 -0.033 0.000 2.335 235 A HA 0.820 5.154 4.320 0.023 0.000 0.304 235 A C -0.213 177.296 177.584 -0.125 0.000 1.118 235 A CA -1.070 50.941 52.037 -0.044 0.000 0.757 235 A CB 0.934 19.873 19.000 -0.101 0.000 1.188 235 A HN 0.917 nan 8.150 nan 0.000 0.460 236 R N 1.411 121.855 120.500 -0.094 0.000 2.626 236 R HA 0.682 5.036 4.340 0.023 0.000 0.274 236 R C -1.589 174.618 176.300 -0.154 0.000 1.031 236 R CA -0.736 55.279 56.100 -0.142 0.000 0.898 236 R CB 0.773 31.045 30.300 -0.047 0.000 1.222 236 R HN 0.306 nan 8.270 nan 0.000 0.455 237 F N 1.826 121.659 119.950 -0.195 0.000 2.545 237 F HA 0.082 4.619 4.527 0.017 0.000 0.348 237 F C 1.898 177.466 175.800 -0.386 0.000 1.163 237 F CA -0.116 57.662 58.000 -0.370 0.000 1.331 237 F CB 0.460 38.884 39.000 -0.960 0.000 1.138 237 F HN 0.466 nan 8.300 nan 0.000 0.602 238 L N 1.399 122.585 121.223 -0.062 0.000 2.127 238 L HA -0.268 4.085 4.340 0.023 0.000 0.211 238 L C 1.919 178.814 176.870 0.042 0.000 1.089 238 L CA 1.330 56.185 54.840 0.026 0.000 0.757 238 L CB -0.682 41.451 42.059 0.123 0.000 0.899 238 L HN 0.752 nan 8.230 nan 0.000 0.434 239 Y N -1.959 118.442 120.300 0.167 0.000 2.516 239 Y HA 0.348 4.905 4.550 0.012 0.000 0.291 239 Y C 1.755 177.716 175.900 0.102 0.000 1.131 239 Y CA 0.337 58.501 58.100 0.106 0.000 1.281 239 Y CB -0.336 38.162 38.460 0.063 0.000 1.013 239 Y HN 0.081 nan 8.280 nan 0.000 0.554 240 G N -0.496 108.306 108.800 0.003 0.000 3.180 240 G HA2 -0.178 3.796 3.960 0.023 0.000 0.197 240 G HA3 -0.178 3.796 3.960 0.023 0.000 0.197 240 G C -0.058 174.875 174.900 0.055 0.000 1.149 240 G CA -0.648 44.488 45.100 0.060 0.000 0.847 240 G HN 0.030 nan 8.290 nan 0.000 0.469 241 K N 2.165 122.632 120.400 0.112 0.000 2.561 241 K HA 0.167 4.500 4.320 0.023 0.000 0.280 241 K C 0.601 177.299 176.600 0.162 0.000 0.975 241 K CA 0.482 56.872 56.287 0.170 0.000 1.024 241 K CB 0.474 33.144 32.500 0.282 0.000 0.883 241 K HN 0.529 nan 8.250 nan 0.000 0.496 242 K N 0.781 121.252 120.400 0.117 0.000 2.168 242 K HA 0.236 4.570 4.320 0.023 0.000 0.258 242 K C -0.025 176.589 176.600 0.023 0.000 1.010 242 K CA -0.609 55.701 56.287 0.039 0.000 0.929 242 K CB 0.870 33.382 32.500 0.020 0.000 0.998 242 K HN 0.157 nan 8.250 nan 0.000 0.479 243 V N 2.485 122.305 119.914 -0.157 0.000 2.472 243 V HA 0.141 4.275 4.120 0.023 0.000 0.290 243 V C -0.331 175.646 176.094 -0.195 0.000 1.037 243 V CA -0.552 61.548 62.300 -0.334 0.000 0.908 243 V CB 1.621 32.985 31.823 -0.766 0.000 0.985 243 V HN 0.647 nan 8.190 nan 0.000 0.454 244 E N 3.137 123.263 120.200 -0.124 0.000 2.145 244 E HA 0.711 5.075 4.350 0.023 0.000 0.270 244 E C 0.138 176.613 176.600 -0.208 0.000 0.906 244 E CA -0.047 56.346 56.400 -0.012 0.000 0.761 244 E CB 2.017 31.825 29.700 0.179 0.000 1.116 244 E HN 0.922 nan 8.360 nan 0.000 0.408 245 G N 1.432 110.003 108.800 -0.382 0.000 2.435 245 G HA2 0.342 4.315 3.960 0.023 0.000 0.296 245 G HA3 0.342 4.315 3.960 0.023 0.000 0.296 245 G C -1.100 173.541 174.900 -0.432 0.000 1.240 245 G CA -0.442 44.191 45.100 -0.778 0.000 0.872 245 G HN 0.283 nan 8.290 nan 0.000 0.480 246 T N 0.261 114.626 114.554 -0.316 0.000 2.863 246 T HA 0.752 5.115 4.350 0.023 0.000 0.285 246 T C -0.205 174.378 174.700 -0.195 0.000 1.009 246 T CA 0.268 62.234 62.100 -0.223 0.000 0.989 246 T CB 1.615 70.362 68.868 -0.202 0.000 1.004 246 T HN 1.298 nan 8.240 nan 0.000 0.455 247 A N 2.206 124.866 122.820 -0.265 0.000 2.350 247 A HA 0.846 5.179 4.320 0.023 0.000 0.324 247 A C -1.245 176.126 177.584 -0.354 0.000 1.118 247 A CA -0.673 51.260 52.037 -0.174 0.000 0.783 247 A CB 0.576 19.518 19.000 -0.096 0.000 1.236 247 A HN 0.761 nan 8.150 nan 0.000 0.457 248 F N 2.098 122.036 119.950 -0.021 0.000 2.382 248 F HA 0.470 5.011 4.527 0.023 0.000 0.361 248 F C -0.136 175.638 175.800 -0.042 0.000 1.109 248 F CA -0.482 57.505 58.000 -0.020 0.000 1.031 248 F CB 1.981 40.973 39.000 -0.013 0.000 1.234 248 F HN 0.267 nan 8.300 nan 0.000 0.445 249 V N 5.390 125.340 119.914 0.060 0.000 2.459 249 V HA 0.515 4.649 4.120 0.023 0.000 0.295 249 V C -0.247 175.812 176.094 -0.059 0.000 1.029 249 V CA -0.870 61.398 62.300 -0.053 0.000 0.874 249 V CB 2.079 33.837 31.823 -0.108 0.000 0.985 249 V HN 0.692 nan 8.190 nan 0.000 0.438 250 I N 3.698 124.167 120.570 -0.168 0.000 2.730 250 I HA 0.647 4.831 4.170 0.023 0.000 0.298 250 I C -1.465 174.452 176.117 -0.334 0.000 1.089 250 I CA -0.659 60.583 61.300 -0.098 0.000 1.041 250 I CB 2.371 40.376 38.000 0.009 0.000 1.235 250 I HN 0.503 nan 8.210 nan 0.000 0.423 251 F N 3.648 123.507 119.950 -0.151 0.000 2.541 251 F HA 0.859 5.400 4.527 0.023 0.000 0.331 251 F C 0.684 176.196 175.800 -0.480 0.000 1.057 251 F CA -0.466 57.348 58.000 -0.309 0.000 0.975 251 F CB 2.089 40.940 39.000 -0.248 0.000 1.246 251 F HN 0.436 nan 8.300 nan 0.000 0.484 252 G N 0.657 109.042 108.800 -0.692 0.000 2.677 252 G HA2 0.650 4.623 3.960 0.023 0.000 0.291 252 G HA3 0.650 4.623 3.960 0.023 0.000 0.291 252 G C -1.917 172.678 174.900 -0.509 0.000 1.435 252 G CA -0.772 43.870 45.100 -0.763 0.000 0.826 252 G HN 0.534 nan 8.290 nan 0.000 0.491 253 I N 0.050 120.565 120.570 -0.091 0.000 2.493 253 I HA 0.513 4.697 4.170 0.023 0.000 0.298 253 I C -0.145 176.086 176.117 0.189 0.000 0.998 253 I CA -0.758 60.567 61.300 0.042 0.000 1.137 253 I CB 2.252 40.262 38.000 0.016 0.000 1.310 253 I HN 0.462 nan 8.210 nan 0.000 0.445 254 Q N 4.305 124.212 119.800 0.179 0.000 2.310 254 Q HA 0.289 4.643 4.340 0.023 0.000 0.270 254 Q C -1.704 174.349 176.000 0.089 0.000 1.025 254 Q CA -0.648 55.247 55.803 0.154 0.000 0.772 254 Q CB 1.977 30.816 28.738 0.168 0.000 1.253 254 Q HN 0.560 nan 8.270 nan 0.000 0.450 255 D N 3.442 123.881 120.400 0.065 0.000 2.461 255 D HA 0.450 5.104 4.640 0.023 0.000 0.240 255 D C 0.678 176.998 176.300 0.034 0.000 1.094 255 D CA 1.011 55.038 54.000 0.045 0.000 0.868 255 D CB 0.765 41.587 40.800 0.037 0.000 1.062 255 D HN 0.841 nan 8.370 nan 0.000 0.530 256 G N 4.642 113.461 108.800 0.032 0.000 2.595 256 G HA2 -0.322 3.652 3.960 0.023 0.000 0.297 256 G HA3 -0.322 3.652 3.960 0.023 0.000 0.297 256 G C 0.742 175.652 174.900 0.017 0.000 1.181 256 G CA 0.392 45.506 45.100 0.023 0.000 0.963 256 G HN 0.525 nan 8.290 nan 0.000 0.541 257 E N 0.994 121.200 120.200 0.010 0.000 2.526 257 E HA 0.140 4.504 4.350 0.023 0.000 0.208 257 E C 0.044 176.644 176.600 -0.000 0.000 0.997 257 E CA -0.163 56.236 56.400 -0.001 0.000 0.961 257 E CB 0.368 30.065 29.700 -0.006 0.000 1.030 257 E HN 0.421 nan 8.360 nan 0.000 0.483 258 Q N 1.391 121.199 119.800 0.013 0.000 2.322 258 Q HA 0.288 4.642 4.340 0.023 0.000 0.256 258 Q C -0.272 175.751 176.000 0.038 0.000 0.960 258 Q CA 0.163 55.977 55.803 0.019 0.000 0.934 258 Q CB 1.271 30.022 28.738 0.022 0.000 1.200 258 Q HN 0.045 nan 8.270 nan 0.000 0.435 259 R N 2.410 122.933 120.500 0.038 0.000 2.460 259 R HA 0.545 4.899 4.340 0.023 0.000 0.303 259 R C -0.281 176.089 176.300 0.116 0.000 0.968 259 R CA -0.767 55.387 56.100 0.091 0.000 0.889 259 R CB 1.234 31.547 30.300 0.021 0.000 1.123 259 R HN 0.446 nan 8.270 nan 0.000 0.455 260 I N 1.861 122.527 120.570 0.160 0.000 2.382 260 I HA 0.142 4.325 4.170 0.023 0.000 0.286 260 I C 0.504 176.699 176.117 0.130 0.000 1.002 260 I CA -0.312 61.055 61.300 0.112 0.000 1.135 260 I CB 1.388 39.428 38.000 0.065 0.000 1.288 260 I HN 0.513 nan 8.210 nan 0.000 0.448 261 S N 6.666 122.438 115.700 0.120 0.000 2.592 261 S HA 0.565 5.049 4.470 0.023 0.000 0.271 261 S C -0.140 174.481 174.600 0.035 0.000 1.326 261 S CA -0.386 57.876 58.200 0.103 0.000 1.024 261 S CB 0.548 63.816 63.200 0.112 0.000 0.921 261 S HN 0.474 nan 8.310 nan 0.000 0.527 262 L N 6.223 127.451 121.223 0.008 0.000 2.506 262 L HA 0.345 4.699 4.340 0.023 0.000 0.247 262 L C -1.487 175.399 176.870 0.027 0.000 1.141 262 L CA -1.642 53.201 54.840 0.004 0.000 0.973 262 L CB 1.381 43.429 42.059 -0.019 0.000 1.319 262 L HN 0.575 nan 8.230 nan 0.000 0.455 263 P HA -0.231 nan 4.420 nan 0.000 0.218 263 P C 1.129 178.450 177.300 0.035 0.000 1.148 263 P CA 1.239 64.361 63.100 0.036 0.000 0.822 263 P CB 0.480 32.198 31.700 0.029 0.000 0.784 264 E N 0.592 120.805 120.200 0.022 0.000 2.268 264 E HA -0.111 4.253 4.350 0.023 0.000 0.195 264 E C 1.753 178.364 176.600 0.019 0.000 0.995 264 E CA 1.195 57.603 56.400 0.014 0.000 0.836 264 E CB -0.063 29.636 29.700 -0.003 0.000 0.763 264 E HN 0.284 nan 8.360 nan 0.000 0.491 265 S N -0.036 115.686 115.700 0.037 0.000 2.558 265 S HA 0.000 4.484 4.470 0.023 0.000 0.217 265 S C 0.724 175.404 174.600 0.133 0.000 0.975 265 S CA -0.492 57.747 58.200 0.065 0.000 0.912 265 S CB -0.081 63.168 63.200 0.082 0.000 0.776 265 S HN 0.199 nan 8.310 nan 0.000 0.526 266 L N 3.350 124.636 121.223 0.104 0.000 2.628 266 L HA 0.269 4.623 4.340 0.023 0.000 0.274 266 L C -0.477 176.451 176.870 0.096 0.000 1.209 266 L CA 0.776 55.681 54.840 0.108 0.000 0.930 266 L CB -0.135 41.981 42.059 0.095 0.000 1.183 266 L HN 0.074 nan 8.230 nan 0.000 0.492 267 K N 5.697 126.154 120.400 0.096 0.000 2.427 267 K HA 0.390 4.723 4.320 0.023 0.000 0.252 267 K C -0.919 175.672 176.600 -0.014 0.000 0.931 267 K CA -0.703 55.614 56.287 0.049 0.000 0.793 267 K CB 2.214 34.750 32.500 0.061 0.000 1.211 267 K HN 0.602 nan 8.250 nan 0.000 0.426 268 R N 4.152 124.605 120.500 -0.079 0.000 2.246 268 R HA 0.401 4.755 4.340 0.023 0.000 0.332 268 R C -0.179 176.000 176.300 -0.201 0.000 0.974 268 R CA -0.396 55.548 56.100 -0.261 0.000 0.837 268 R CB 0.167 30.282 30.300 -0.307 0.000 1.145 268 R HN 0.715 nan 8.270 nan 0.000 0.467 269 I N 1.528 121.973 120.570 -0.207 0.000 2.530 269 I HA 0.673 4.857 4.170 0.023 0.000 0.297 269 I C -2.668 173.365 176.117 -0.141 0.000 1.011 269 I CA -3.297 57.925 61.300 -0.129 0.000 1.107 269 I CB 2.250 40.205 38.000 -0.075 0.000 1.285 269 I HN 0.401 nan 8.210 nan 0.000 0.436 270 P HA 0.294 nan 4.420 nan 0.000 0.274 270 P C -0.882 176.385 177.300 -0.055 0.000 1.237 270 P CA -0.249 62.814 63.100 -0.062 0.000 0.793 270 P CB 0.645 32.331 31.700 -0.023 0.000 0.977 271 I N 2.296 122.837 120.570 -0.048 0.000 2.354 271 I HA 0.213 4.397 4.170 0.023 0.000 0.286 271 I C 0.276 176.386 176.117 -0.011 0.000 1.007 271 I CA -0.532 60.738 61.300 -0.050 0.000 1.167 271 I CB 0.771 38.712 38.000 -0.099 0.000 1.320 271 I HN 0.236 nan 8.210 nan 0.000 0.458 272 E N 4.981 125.175 120.200 -0.010 0.000 2.092 272 E HA 0.161 4.524 4.350 0.023 0.000 0.271 272 E C -0.167 176.431 176.600 -0.003 0.000 0.919 272 E CA -0.387 56.015 56.400 0.003 0.000 0.760 272 E CB 1.275 30.975 29.700 0.001 0.000 1.106 272 E HN 0.512 nan 8.360 nan 0.000 0.408 273 D N 2.544 122.946 120.400 0.004 0.000 2.723 273 D HA -0.185 4.469 4.640 0.023 0.000 0.236 273 D C 0.680 176.972 176.300 -0.012 0.000 1.138 273 D CA 1.556 55.558 54.000 0.003 0.000 0.676 273 D CB -1.123 39.681 40.800 0.007 0.000 1.069 273 D HN 0.909 nan 8.370 nan 0.000 0.430 274 G N -1.044 107.735 108.800 -0.035 0.000 2.221 274 G HA2 -0.116 3.857 3.960 0.023 0.000 0.265 274 G HA3 -0.116 3.857 3.960 0.023 0.000 0.265 274 G C 0.141 175.013 174.900 -0.046 0.000 1.041 274 G CA 1.000 46.062 45.100 -0.063 0.000 0.807 274 G HN 1.246 nan 8.290 nan 0.000 0.502 275 S N -1.629 114.048 115.700 -0.038 0.000 2.570 275 S HA 0.935 5.418 4.470 0.023 0.000 0.270 275 S C -0.136 174.447 174.600 -0.028 0.000 1.149 275 S CA 0.665 58.849 58.200 -0.027 0.000 0.837 275 S CB 1.864 65.055 63.200 -0.015 0.000 1.124 275 S HN 1.977 nan 8.310 nan 0.000 0.465 276 G N 1.570 110.356 108.800 -0.023 0.000 2.632 276 G HA2 0.564 4.537 3.960 0.023 0.000 0.292 276 G HA3 0.564 4.537 3.960 0.023 0.000 0.292 276 G C -2.288 172.605 174.900 -0.011 0.000 1.465 276 G CA -0.621 44.466 45.100 -0.023 0.000 0.824 276 G HN 0.608 nan 8.290 nan 0.000 0.509 277 E N -0.690 119.506 120.200 -0.006 0.000 2.293 277 E HA 0.630 4.994 4.350 0.023 0.000 0.270 277 E C -1.400 175.212 176.600 0.021 0.000 0.879 277 E CA -0.975 55.430 56.400 0.009 0.000 0.756 277 E CB 3.327 33.031 29.700 0.007 0.000 1.208 277 E HN 0.467 nan 8.360 nan 0.000 0.428 278 V N 2.227 122.174 119.914 0.054 0.000 2.971 278 V HA 0.546 4.679 4.120 0.023 0.000 0.309 278 V C -1.613 174.547 176.094 0.111 0.000 1.130 278 V CA -0.552 61.804 62.300 0.094 0.000 0.964 278 V CB 2.227 34.140 31.823 0.149 0.000 1.029 278 V HN 0.441 nan 8.190 nan 0.000 0.427 279 V N 6.114 126.051 119.914 0.038 0.000 2.709 279 V HA 0.502 4.636 4.120 0.023 0.000 0.308 279 V C -0.680 175.232 176.094 -0.303 0.000 1.062 279 V CA -0.648 61.597 62.300 -0.091 0.000 0.901 279 V CB 1.704 33.483 31.823 -0.073 0.000 1.003 279 V HN 0.801 nan 8.190 nan 0.000 0.425 280 L N 5.508 126.351 121.223 -0.633 0.000 2.288 280 L HA 0.517 4.870 4.340 0.023 0.000 0.283 280 L C 0.730 177.322 176.870 -0.464 0.000 1.072 280 L CA 0.194 54.526 54.840 -0.846 0.000 0.862 280 L CB 0.936 42.064 42.059 -1.552 0.000 1.245 280 L HN 0.827 nan 8.230 nan 0.000 0.432 281 S N 3.490 119.016 115.700 -0.289 0.000 2.560 281 S HA 0.083 4.567 4.470 0.023 0.000 0.284 281 S C 1.287 175.787 174.600 -0.167 0.000 1.327 281 S CA -0.049 58.048 58.200 -0.171 0.000 1.055 281 S CB 0.598 63.732 63.200 -0.110 0.000 0.868 281 S HN 0.836 nan 8.310 nan 0.000 0.506 282 R N 1.998 122.447 120.500 -0.085 0.000 2.127 282 R HA -0.139 4.215 4.340 0.023 0.000 0.238 282 R C 2.247 178.519 176.300 -0.048 0.000 1.134 282 R CA 1.757 57.836 56.100 -0.036 0.000 0.975 282 R CB -0.275 30.063 30.300 0.064 0.000 0.865 282 R HN 0.872 nan 8.270 nan 0.000 0.447 283 K N -0.105 120.267 120.400 -0.047 0.000 2.026 283 K HA -0.105 4.229 4.320 0.023 0.000 0.208 283 K C 1.794 178.362 176.600 -0.054 0.000 1.048 283 K CA 1.613 57.876 56.287 -0.039 0.000 0.929 283 K CB 0.046 32.527 32.500 -0.032 0.000 0.713 283 K HN 0.064 nan 8.250 nan 0.000 0.439 284 V N 1.680 121.546 119.914 -0.080 0.000 2.427 284 V HA -0.223 3.910 4.120 0.023 0.000 0.248 284 V C 2.258 178.294 176.094 -0.097 0.000 1.051 284 V CA 1.402 63.651 62.300 -0.086 0.000 1.048 284 V CB -0.416 31.342 31.823 -0.108 0.000 0.666 284 V HN 0.378 nan 8.190 nan 0.000 0.456 285 L N -0.038 121.104 121.223 -0.134 0.000 2.017 285 L HA -0.145 4.208 4.340 0.023 0.000 0.208 285 L C 2.163 178.986 176.870 -0.079 0.000 1.073 285 L CA 2.007 56.764 54.840 -0.139 0.000 0.745 285 L CB -0.597 41.340 42.059 -0.203 0.000 0.894 285 L HN 0.213 nan 8.230 nan 0.000 0.432 286 L N -0.754 120.435 121.223 -0.056 0.000 2.141 286 L HA -0.139 4.215 4.340 0.023 0.000 0.209 286 L C 2.129 178.984 176.870 -0.026 0.000 1.094 286 L CA 0.925 55.746 54.840 -0.031 0.000 0.763 286 L CB -0.781 41.268 42.059 -0.017 0.000 0.908 286 L HN 0.278 nan 8.230 nan 0.000 0.437 287 D N 0.205 120.587 120.400 -0.031 0.000 2.149 287 D HA -0.094 4.560 4.640 0.023 0.000 0.201 287 D C 2.168 178.456 176.300 -0.021 0.000 0.972 287 D CA 1.345 55.331 54.000 -0.023 0.000 0.835 287 D CB -0.239 40.547 40.800 -0.024 0.000 0.966 287 D HN 0.280 nan 8.370 nan 0.000 0.476 288 G N 0.873 109.655 108.800 -0.030 0.000 2.446 288 G HA2 -0.175 3.799 3.960 0.023 0.000 0.217 288 G HA3 -0.175 3.799 3.960 0.023 0.000 0.217 288 G C 0.932 175.824 174.900 -0.014 0.000 1.168 288 G CA 0.517 45.603 45.100 -0.024 0.000 0.771 288 G HN 0.279 nan 8.290 nan 0.000 0.551 289 V N 0.092 119.996 119.914 -0.017 0.000 2.785 289 V HA 0.276 4.410 4.120 0.023 0.000 0.300 289 V C 0.694 176.784 176.094 -0.006 0.000 1.062 289 V CA -0.484 61.811 62.300 -0.009 0.000 1.029 289 V CB 1.751 33.568 31.823 -0.010 0.000 1.024 289 V HN 0.311 nan 8.190 nan 0.000 0.477 290 Q N 2.966 122.765 119.800 -0.001 0.000 2.280 290 Q HA 0.206 4.560 4.340 0.023 0.000 0.202 290 Q C -0.040 175.961 176.000 0.000 0.000 0.903 290 Q CA 0.063 55.866 55.803 0.000 0.000 0.948 290 Q CB -0.257 28.482 28.738 0.002 0.000 1.058 290 Q HN 0.616 nan 8.270 nan 0.000 0.493 291 N N 1.609 120.308 118.700 -0.001 0.000 2.424 291 N HA 0.156 4.910 4.740 0.023 0.000 0.271 291 N C -1.773 173.737 175.510 0.000 0.000 0.985 291 N CA -1.755 51.295 53.050 0.001 0.000 0.921 291 N CB 1.797 40.284 38.487 0.001 0.000 1.149 291 N HN -0.143 nan 8.380 nan 0.000 0.492 292 P HA -0.057 nan 4.420 nan 0.000 0.217 292 P C -0.208 177.097 177.300 0.009 0.000 1.150 292 P CA 0.770 63.873 63.100 0.005 0.000 0.832 292 P CB 0.417 32.120 31.700 0.006 0.000 0.787 293 R N 0.350 120.856 120.500 0.009 0.000 2.446 293 R HA 0.243 4.597 4.340 0.023 0.000 0.314 293 R C 1.380 177.682 176.300 0.004 0.000 1.003 293 R CA 0.146 56.254 56.100 0.013 0.000 1.018 293 R CB 0.167 30.474 30.300 0.012 0.000 0.945 293 R HN 0.112 nan 8.270 nan 0.000 0.419 294 A N 3.761 126.584 122.820 0.006 0.000 2.072 294 A HA -0.092 4.242 4.320 0.023 0.000 0.216 294 A C 1.460 178.997 177.584 -0.079 0.000 1.156 294 A CA 0.680 52.696 52.037 -0.036 0.000 0.701 294 A CB 0.066 19.040 19.000 -0.043 0.000 0.816 294 A HN 0.733 nan 8.150 nan 0.000 0.458 295 E N 0.891 121.068 120.200 -0.038 0.000 2.153 295 E HA -0.152 4.212 4.350 0.023 0.000 0.194 295 E C 1.079 177.656 176.600 -0.038 0.000 0.988 295 E CA 1.253 57.625 56.400 -0.046 0.000 0.811 295 E CB -0.262 29.451 29.700 0.021 0.000 0.746 295 E HN 0.493 nan 8.360 nan 0.000 0.466 296 D N 0.357 120.745 120.400 -0.020 0.000 2.178 296 D HA -0.110 4.544 4.640 0.023 0.000 0.201 296 D C 1.711 178.003 176.300 -0.013 0.000 0.980 296 D CA 0.665 54.659 54.000 -0.010 0.000 0.842 296 D CB -0.114 40.685 40.800 -0.002 0.000 0.948 296 D HN 0.199 nan 8.370 nan 0.000 0.472 297 L N 0.381 121.589 121.223 -0.024 0.000 2.265 297 L HA -0.065 4.289 4.340 0.023 0.000 0.215 297 L C 0.603 177.467 176.870 -0.011 0.000 1.117 297 L CA 0.183 55.014 54.840 -0.014 0.000 0.782 297 L CB -0.274 41.776 42.059 -0.015 0.000 0.914 297 L HN -0.132 nan 8.230 nan 0.000 0.441 298 V N 0.975 120.867 119.914 -0.036 0.000 2.540 298 V HA 0.173 4.307 4.120 0.023 0.000 0.297 298 V C 1.266 177.357 176.094 -0.004 0.000 1.024 298 V CA 1.287 63.568 62.300 -0.031 0.000 1.105 298 V CB 0.365 32.157 31.823 -0.052 0.000 0.938 298 V HN 0.642 nan 8.190 nan 0.000 0.482 299 G N 4.297 113.103 108.800 0.009 0.000 2.238 299 G HA2 -0.174 3.800 3.960 0.023 0.000 0.217 299 G HA3 -0.174 3.800 3.960 0.023 0.000 0.217 299 G C 0.251 175.169 174.900 0.031 0.000 0.996 299 G CA 0.048 45.159 45.100 0.019 0.000 0.632 299 G HN 0.599 nan 8.290 nan 0.000 0.503 300 K N 0.520 120.941 120.400 0.035 0.000 2.419 300 K HA 0.756 5.090 4.320 0.023 0.000 0.246 300 K C 0.389 177.029 176.600 0.067 0.000 1.037 300 K CA 0.051 56.367 56.287 0.048 0.000 0.982 300 K CB 1.299 33.824 32.500 0.042 0.000 1.283 300 K HN 0.503 nan 8.250 nan 0.000 0.500 301 S N -0.417 115.331 115.700 0.080 0.000 2.661 301 S HA 0.622 5.106 4.470 0.023 0.000 0.285 301 S C -1.010 173.653 174.600 0.105 0.000 1.138 301 S CA -1.052 57.207 58.200 0.099 0.000 0.855 301 S CB 0.836 64.099 63.200 0.105 0.000 1.136 301 S HN 0.374 nan 8.310 nan 0.000 0.484 302 L N 1.700 122.984 121.223 0.102 0.000 2.342 302 L HA 0.680 5.034 4.340 0.023 0.000 0.271 302 L C -1.185 175.762 176.870 0.128 0.000 1.008 302 L CA -1.062 53.815 54.840 0.062 0.000 0.818 302 L CB 1.667 43.727 42.059 0.003 0.000 1.296 302 L HN 0.915 nan 8.230 nan 0.000 0.427 303 Y N 0.398 120.729 120.300 0.051 0.000 2.499 303 Y HA 0.820 5.383 4.550 0.022 0.000 0.347 303 Y C -1.092 174.783 175.900 -0.042 0.000 0.987 303 Y CA -1.390 56.716 58.100 0.011 0.000 1.044 303 Y CB 1.427 39.885 38.460 -0.004 0.000 1.245 303 Y HN 0.139 nan 8.280 nan 0.000 0.461 304 V N 3.057 122.979 119.914 0.013 0.000 2.378 304 V HA 0.426 4.560 4.120 0.023 0.000 0.288 304 V C -0.353 175.663 176.094 -0.130 0.000 1.016 304 V CA -0.649 61.480 62.300 -0.284 0.000 0.840 304 V CB 1.159 32.773 31.823 -0.349 0.000 0.994 304 V HN 0.883 nan 8.190 nan 0.000 0.431 305 S N 4.110 119.724 115.700 -0.143 0.000 2.429 305 S HA 0.801 5.285 4.470 0.023 0.000 0.302 305 S C -0.102 174.441 174.600 -0.096 0.000 1.115 305 S CA -0.111 58.063 58.200 -0.042 0.000 1.095 305 S CB 0.812 64.045 63.200 0.056 0.000 0.987 305 S HN 1.120 nan 8.310 nan 0.000 0.474 306 A N 4.208 126.994 122.820 -0.057 0.000 2.343 306 A HA 0.735 5.069 4.320 0.023 0.000 0.316 306 A C -0.334 177.265 177.584 0.025 0.000 1.104 306 A CA -0.664 51.356 52.037 -0.028 0.000 0.768 306 A CB 1.471 20.444 19.000 -0.045 0.000 1.213 306 A HN 0.675 nan 8.150 nan 0.000 0.456 307 T N 2.221 116.830 114.554 0.092 0.000 2.892 307 T HA 0.467 4.831 4.350 0.023 0.000 0.311 307 T C -0.654 174.166 174.700 0.200 0.000 1.033 307 T CA -0.229 61.948 62.100 0.128 0.000 0.991 307 T CB 0.861 69.804 68.868 0.125 0.000 0.981 307 T HN 0.438 nan 8.240 nan 0.000 0.457 308 V N 5.599 125.613 119.914 0.167 0.000 2.394 308 V HA 0.531 4.665 4.120 0.023 0.000 0.282 308 V C -0.090 176.152 176.094 0.247 0.000 1.031 308 V CA -0.719 61.691 62.300 0.184 0.000 0.881 308 V CB 1.175 33.125 31.823 0.212 0.000 0.982 308 V HN 0.777 nan 8.190 nan 0.000 0.451 309 I N 5.493 126.147 120.570 0.141 0.000 2.436 309 I HA 0.403 4.587 4.170 0.023 0.000 0.289 309 I C -0.075 175.998 176.117 -0.073 0.000 1.010 309 I CA -0.547 60.821 61.300 0.112 0.000 1.098 309 I CB 1.752 39.842 38.000 0.151 0.000 1.266 309 I HN 0.367 nan 8.210 nan 0.000 0.434 310 L N 4.832 126.004 121.223 -0.085 0.000 2.473 310 L HA 0.085 4.439 4.340 0.023 0.000 0.268 310 L C 1.615 178.406 176.870 -0.133 0.000 1.215 310 L CA -0.335 54.387 54.840 -0.197 0.000 0.823 310 L CB 0.253 42.258 42.059 -0.091 0.000 1.099 310 L HN 0.653 nan 8.230 nan 0.000 0.483 311 H N 0.312 119.383 119.070 0.003 0.000 2.491 311 H HA -0.098 4.471 4.556 0.021 0.000 0.290 311 H C 2.216 177.568 175.328 0.040 0.000 1.050 311 H CA 1.478 57.540 56.048 0.022 0.000 1.309 311 H CB 0.111 29.880 29.762 0.012 0.000 1.392 311 H HN 0.758 nan 8.280 nan 0.000 0.554 312 S N -0.405 115.385 115.700 0.151 0.000 2.402 312 S HA -0.029 4.455 4.470 0.023 0.000 0.229 312 S C 2.042 176.702 174.600 0.098 0.000 1.021 312 S CA 1.034 59.305 58.200 0.118 0.000 0.974 312 S CB -0.305 62.967 63.200 0.120 0.000 0.800 312 S HN 0.591 nan 8.310 nan 0.000 0.484 313 G N 0.228 109.084 108.800 0.092 0.000 2.179 313 G HA2 -0.283 3.691 3.960 0.023 0.000 0.260 313 G HA3 -0.283 3.691 3.960 0.023 0.000 0.260 313 G C 0.860 175.811 174.900 0.086 0.000 0.977 313 G CA 0.545 45.695 45.100 0.083 0.000 0.641 313 G HN 0.674 nan 8.290 nan 0.000 0.533 314 S N -0.024 115.737 115.700 0.101 0.000 2.524 314 S HA 0.249 4.732 4.470 0.023 0.000 0.216 314 S C 0.277 174.955 174.600 0.130 0.000 0.987 314 S CA 0.536 58.798 58.200 0.103 0.000 0.909 314 S CB 0.446 63.709 63.200 0.104 0.000 0.781 314 S HN 0.544 nan 8.310 nan 0.000 0.521 315 D N 0.877 121.380 120.400 0.171 0.000 2.646 315 D HA 0.531 5.185 4.640 0.023 0.000 0.245 315 D C -0.726 175.728 176.300 0.256 0.000 1.099 315 D CA -0.156 53.991 54.000 0.245 0.000 0.849 315 D CB 1.665 42.718 40.800 0.422 0.000 1.448 315 D HN 0.121 nan 8.370 nan 0.000 0.489 316 M N 1.754 121.450 119.600 0.160 0.000 2.322 316 M HA 0.524 5.018 4.480 0.023 0.000 0.286 316 M C -2.263 173.993 176.300 -0.074 0.000 1.111 316 M CA -0.603 54.761 55.300 0.105 0.000 0.941 316 M CB 1.948 34.583 32.600 0.058 0.000 1.671 316 M HN 0.104 nan 8.290 nan 0.000 0.470 317 V N 4.093 123.935 119.914 -0.119 0.000 2.709 317 V HA 0.459 4.593 4.120 0.023 0.000 0.308 317 V C -1.037 174.986 176.094 -0.118 0.000 1.062 317 V CA -0.591 61.540 62.300 -0.282 0.000 0.901 317 V CB 2.311 33.696 31.823 -0.730 0.000 1.003 317 V HN 0.877 nan 8.190 nan 0.000 0.425 318 Q N 2.805 122.540 119.800 -0.110 0.000 2.325 318 Q HA 0.811 5.165 4.340 0.023 0.000 0.262 318 Q C -0.405 175.554 176.000 -0.067 0.000 0.968 318 Q CA -0.336 55.429 55.803 -0.063 0.000 0.877 318 Q CB 2.327 31.034 28.738 -0.053 0.000 1.253 318 Q HN 0.919 nan 8.270 nan 0.000 0.448 319 A N 2.692 125.485 122.820 -0.045 0.000 2.430 319 A HA 0.815 5.148 4.320 0.023 0.000 0.300 319 A C -1.254 176.312 177.584 -0.029 0.000 1.124 319 A CA -0.548 51.464 52.037 -0.041 0.000 0.766 319 A CB 2.058 21.035 19.000 -0.037 0.000 1.328 319 A HN 0.742 nan 8.150 nan 0.000 0.424 320 E N 0.571 120.758 120.200 -0.023 0.000 2.378 320 E HA 0.375 4.739 4.350 0.023 0.000 0.283 320 E C -1.643 174.960 176.600 0.005 0.000 0.979 320 E CA -0.615 55.781 56.400 -0.007 0.000 0.795 320 E CB 1.493 31.190 29.700 -0.004 0.000 1.221 320 E HN 0.603 nan 8.360 nan 0.000 0.428 321 R N 2.137 122.650 120.500 0.022 0.000 2.360 321 R HA 0.374 4.728 4.340 0.023 0.000 0.318 321 R C -0.844 175.507 176.300 0.086 0.000 0.950 321 R CA -0.385 55.738 56.100 0.039 0.000 0.837 321 R CB 1.822 32.140 30.300 0.030 0.000 1.165 321 R HN 0.647 nan 8.270 nan 0.000 0.458 322 S N 0.171 115.919 115.700 0.080 0.000 2.607 322 S HA 0.705 5.189 4.470 0.023 0.000 0.303 322 S C 0.722 175.378 174.600 0.093 0.000 1.086 322 S CA -0.047 58.222 58.200 0.114 0.000 0.995 322 S CB 2.149 65.382 63.200 0.056 0.000 1.084 322 S HN 0.787 nan 8.310 nan 0.000 0.507 323 G N 0.498 109.364 108.800 0.110 0.000 2.130 323 G HA2 -0.183 3.791 3.960 0.023 0.000 0.216 323 G HA3 -0.183 3.791 3.960 0.023 0.000 0.216 323 G C -0.142 174.820 174.900 0.104 0.000 0.999 323 G CA -0.176 44.980 45.100 0.093 0.000 0.686 323 G HN 0.852 nan 8.290 nan 0.000 0.515 324 I N 2.099 122.740 120.570 0.118 0.000 2.389 324 I HA 0.189 4.373 4.170 0.023 0.000 0.295 324 I C -1.878 174.328 176.117 0.148 0.000 1.117 324 I CA -1.771 59.608 61.300 0.132 0.000 1.317 324 I CB 0.648 38.721 38.000 0.123 0.000 1.431 324 I HN -0.097 nan 8.210 nan 0.000 0.521 325 P HA 0.142 nan 4.420 nan 0.000 0.271 325 P C -0.248 177.159 177.300 0.177 0.000 1.226 325 P CA -0.012 63.172 63.100 0.140 0.000 0.765 325 P CB 0.448 32.216 31.700 0.114 0.000 0.835 326 I N 4.343 124.998 120.570 0.140 0.000 2.329 326 I HA 0.132 4.316 4.170 0.023 0.000 0.295 326 I C 0.758 176.908 176.117 0.056 0.000 1.109 326 I CA -0.337 61.050 61.300 0.145 0.000 1.297 326 I CB 0.064 38.137 38.000 0.122 0.000 1.433 326 I HN 0.143 nan 8.210 nan 0.000 0.509 327 V N 2.156 122.099 119.914 0.049 0.000 3.113 327 V HA 0.556 4.689 4.120 0.023 0.000 0.316 327 V C 0.739 176.837 176.094 0.007 0.000 1.125 327 V CA -0.298 61.995 62.300 -0.012 0.000 1.026 327 V CB 1.638 33.409 31.823 -0.086 0.000 1.080 327 V HN 0.706 nan 8.190 nan 0.000 0.444 328 T N -2.075 112.491 114.554 0.019 0.000 3.022 328 T HA 0.303 4.667 4.350 0.023 0.000 0.250 328 T C 0.653 175.445 174.700 0.153 0.000 1.060 328 T CA 0.667 62.867 62.100 0.167 0.000 1.013 328 T CB -0.029 68.905 68.868 0.110 0.000 0.982 328 T HN 1.226 nan 8.240 nan 0.000 0.508 329 S N 0.915 116.572 115.700 -0.072 0.000 2.548 329 S HA 0.570 5.053 4.470 0.023 0.000 0.276 329 S C -2.666 171.627 174.600 -0.512 0.000 1.129 329 S CA -1.265 56.792 58.200 -0.239 0.000 0.931 329 S CB 2.036 65.149 63.200 -0.146 0.000 1.068 329 S HN -0.076 nan 8.310 nan 0.000 0.480 330 P HA 0.136 nan 4.420 nan 0.000 0.233 330 P C -0.813 175.872 177.300 -1.025 0.000 1.167 330 P CA 0.926 63.217 63.100 -1.348 0.000 0.770 330 P CB -0.050 30.913 31.700 -1.229 0.000 0.837 331 Y N -1.436 118.667 120.300 -0.327 0.000 2.659 331 Y HA 0.670 5.233 4.550 0.022 0.000 0.333 331 Y C 0.336 176.098 175.900 -0.230 0.000 1.064 331 Y CA -1.252 56.705 58.100 -0.239 0.000 1.141 331 Y CB 1.184 39.529 38.460 -0.191 0.000 1.316 331 Y HN -0.350 nan 8.280 nan 0.000 0.509 332 Q N 1.121 120.893 119.800 -0.048 0.000 2.295 332 Q HA 0.566 4.920 4.340 0.023 0.000 0.268 332 Q C -2.020 173.732 176.000 -0.413 0.000 1.010 332 Q CA -0.374 55.295 55.803 -0.223 0.000 0.856 332 Q CB 2.026 30.653 28.738 -0.185 0.000 1.349 332 Q HN 0.732 nan 8.270 nan 0.000 0.412 333 I N 3.932 124.195 120.570 -0.512 0.000 2.359 333 I HA 0.426 4.610 4.170 0.023 0.000 0.294 333 I C -0.445 175.191 176.117 -0.802 0.000 0.987 333 I CA -0.714 60.249 61.300 -0.561 0.000 1.225 333 I CB 1.066 38.803 38.000 -0.438 0.000 1.366 333 I HN 0.537 nan 8.210 nan 0.000 0.466 334 H N 5.887 124.761 119.070 -0.328 0.000 2.637 334 H HA 0.320 4.890 4.556 0.023 0.000 0.363 334 H C -0.809 174.340 175.328 -0.299 0.000 1.131 334 H CA -0.547 55.381 56.048 -0.200 0.000 1.183 334 H CB 2.161 31.979 29.762 0.093 0.000 1.637 334 H HN 0.460 nan 8.280 nan 0.000 0.531 335 F N 0.619 120.684 119.950 0.192 0.000 2.708 335 F HA 0.019 4.560 4.527 0.024 0.000 0.300 335 F C 2.198 178.045 175.800 0.079 0.000 1.118 335 F CA -0.162 57.910 58.000 0.119 0.000 1.307 335 F CB 0.208 39.258 39.000 0.084 0.000 0.986 335 F HN 0.533 nan 8.300 nan 0.000 0.522 336 T N -2.576 112.095 114.554 0.196 0.000 2.881 336 T HA -0.177 4.187 4.350 0.023 0.000 0.270 336 T C 1.491 176.150 174.700 -0.069 0.000 1.068 336 T CA 1.185 63.314 62.100 0.049 0.000 1.131 336 T CB -0.212 68.646 68.868 -0.018 0.000 0.871 336 T HN 0.276 nan 8.240 nan 0.000 0.479 337 K N 1.015 121.384 120.400 -0.052 0.000 2.387 337 K HA 0.194 4.528 4.320 0.023 0.000 0.198 337 K C -0.156 176.456 176.600 0.019 0.000 1.022 337 K CA -0.045 56.168 56.287 -0.124 0.000 1.128 337 K CB 0.646 33.078 32.500 -0.114 0.000 0.853 337 K HN 0.240 nan 8.250 nan 0.000 0.523 338 T N 3.155 117.764 114.554 0.092 0.000 2.771 338 T HA 0.267 4.630 4.350 0.023 0.000 0.281 338 T C -2.656 172.112 174.700 0.112 0.000 0.982 338 T CA -1.940 60.227 62.100 0.112 0.000 0.978 338 T CB 1.709 70.707 68.868 0.217 0.000 0.930 338 T HN -0.147 nan 8.240 nan 0.000 0.447 339 P HA 0.128 nan 4.420 nan 0.000 0.266 339 P C 0.405 177.869 177.300 0.273 0.000 1.195 339 P CA -0.316 62.902 63.100 0.196 0.000 0.768 339 P CB 0.538 32.371 31.700 0.221 0.000 0.838 340 K N 1.602 122.103 120.400 0.169 0.000 2.410 340 K HA 0.170 4.504 4.320 0.023 0.000 0.200 340 K C -0.340 176.084 176.600 -0.293 0.000 1.023 340 K CA 0.122 56.368 56.287 -0.069 0.000 1.149 340 K CB -0.056 32.306 32.500 -0.229 0.000 0.859 340 K HN 0.515 nan 8.250 nan 0.000 0.514 341 Y N 0.268 120.713 120.300 0.241 0.000 2.477 341 Y HA 0.389 4.953 4.550 0.023 0.000 0.347 341 Y C -0.134 175.954 175.900 0.313 0.000 0.981 341 Y CA -1.752 56.464 58.100 0.194 0.000 1.033 341 Y CB 1.455 40.002 38.460 0.145 0.000 1.245 341 Y HN -0.037 nan 8.280 nan 0.000 0.455 342 F N -0.655 119.399 119.950 0.173 0.000 2.593 342 F HA 0.871 5.412 4.527 0.023 0.000 0.320 342 F C -1.278 174.566 175.800 0.074 0.000 1.060 342 F CA -1.610 56.451 58.000 0.103 0.000 0.940 342 F CB 1.416 40.216 39.000 -0.333 0.000 1.268 342 F HN 0.098 nan 8.300 nan 0.000 0.475 343 K N 3.202 123.636 120.400 0.058 0.000 2.292 343 K HA 0.431 4.764 4.320 0.023 0.000 0.270 343 K C -2.751 173.645 176.600 -0.340 0.000 1.062 343 K CA -2.078 54.031 56.287 -0.297 0.000 0.916 343 K CB 0.919 33.290 32.500 -0.214 0.000 1.166 343 K HN 0.275 nan 8.250 nan 0.000 0.458 344 P HA -0.019 nan 4.420 nan 0.000 0.261 344 P C 0.653 177.813 177.300 -0.233 0.000 1.183 344 P CA 0.850 63.864 63.100 -0.145 0.000 0.761 344 P CB 0.705 32.330 31.700 -0.125 0.000 0.785 345 G N 1.995 110.752 108.800 -0.072 0.000 2.176 345 G HA2 -0.230 3.744 3.960 0.023 0.000 0.253 345 G HA3 -0.230 3.744 3.960 0.023 0.000 0.253 345 G C -0.025 174.828 174.900 -0.079 0.000 0.979 345 G CA -0.184 44.886 45.100 -0.050 0.000 0.641 345 G HN 0.470 nan 8.290 nan 0.000 0.530 346 M N -0.098 119.428 119.600 -0.123 0.000 2.644 346 M HA 0.453 4.947 4.480 0.023 0.000 0.304 346 M C -2.819 173.365 176.300 -0.193 0.000 1.215 346 M CA -2.209 52.996 55.300 -0.157 0.000 0.871 346 M CB 2.062 34.548 32.600 -0.189 0.000 1.740 346 M HN -0.173 nan 8.290 nan 0.000 0.464 347 P HA 0.036 nan 4.420 nan 0.000 0.264 347 P C -1.320 175.838 177.300 -0.237 0.000 1.193 347 P CA 0.198 63.168 63.100 -0.218 0.000 0.763 347 P CB 0.089 31.676 31.700 -0.189 0.000 0.810 348 F N 3.931 123.769 119.950 -0.188 0.000 2.388 348 F HA 0.298 4.839 4.527 0.023 0.000 0.358 348 F C -0.379 175.414 175.800 -0.012 0.000 1.122 348 F CA -0.786 57.166 58.000 -0.080 0.000 1.056 348 F CB 0.675 39.625 39.000 -0.083 0.000 1.155 348 F HN 0.166 nan 8.300 nan 0.000 0.461 349 D N 7.184 127.275 120.400 -0.515 0.000 2.274 349 D HA 0.336 4.990 4.640 0.023 0.000 0.239 349 D C -0.683 175.247 176.300 -0.616 0.000 1.104 349 D CA 0.001 53.767 54.000 -0.390 0.000 0.840 349 D CB 1.791 42.506 40.800 -0.143 0.000 1.100 349 D HN 0.365 nan 8.370 nan 0.000 0.477 350 L N 2.339 123.349 121.223 -0.354 0.000 2.295 350 L HA 0.361 4.715 4.340 0.023 0.000 0.285 350 L C 0.260 177.118 176.870 -0.021 0.000 1.035 350 L CA -0.407 54.328 54.840 -0.176 0.000 0.806 350 L CB 1.155 43.224 42.059 0.016 0.000 1.214 350 L HN 0.161 nan 8.230 nan 0.000 0.426 351 M N 4.046 123.675 119.600 0.050 0.000 2.628 351 M HA 0.282 4.776 4.480 0.023 0.000 0.327 351 M C -0.655 175.732 176.300 0.146 0.000 1.223 351 M CA -0.557 54.793 55.300 0.083 0.000 1.221 351 M CB 0.465 33.111 32.600 0.078 0.000 1.202 351 M HN 0.131 nan 8.290 nan 0.000 0.473 352 V N 3.020 123.010 119.914 0.127 0.000 2.585 352 V HA 0.063 4.196 4.120 0.023 0.000 0.296 352 V C -0.220 175.959 176.094 0.142 0.000 1.035 352 V CA 0.095 62.438 62.300 0.071 0.000 1.084 352 V CB 0.255 32.084 31.823 0.012 0.000 0.953 352 V HN 0.520 nan 8.190 nan 0.000 0.483 353 F N 6.094 125.999 119.950 -0.075 0.000 2.382 353 F HA 0.595 5.135 4.527 0.023 0.000 0.361 353 F C -0.252 175.564 175.800 0.028 0.000 1.109 353 F CA -1.060 56.942 58.000 0.003 0.000 1.031 353 F CB 1.253 40.282 39.000 0.047 0.000 1.234 353 F HN 0.238 nan 8.300 nan 0.000 0.445 354 V N 5.190 124.944 119.914 -0.267 0.000 2.439 354 V HA 0.583 4.717 4.120 0.023 0.000 0.282 354 V C 0.080 175.899 176.094 -0.458 0.000 1.039 354 V CA -0.294 61.805 62.300 -0.335 0.000 0.913 354 V CB 1.465 33.119 31.823 -0.281 0.000 0.983 354 V HN 0.838 nan 8.190 nan 0.000 0.460 355 T N 1.208 115.573 114.554 -0.316 0.000 2.906 355 T HA 0.525 4.889 4.350 0.023 0.000 0.295 355 T C -0.445 174.248 174.700 -0.012 0.000 1.075 355 T CA -1.016 60.950 62.100 -0.223 0.000 1.005 355 T CB 1.754 70.464 68.868 -0.263 0.000 1.136 355 T HN 0.422 nan 8.240 nan 0.000 0.498 356 N N 1.700 120.421 118.700 0.036 0.000 2.424 356 N HA 0.283 5.037 4.740 0.023 0.000 0.257 356 N C -1.794 173.730 175.510 0.023 0.000 1.250 356 N CA -1.859 51.227 53.050 0.061 0.000 0.946 356 N CB 0.563 39.118 38.487 0.114 0.000 1.175 356 N HN 0.402 nan 8.380 nan 0.000 0.477 357 P HA -0.153 nan 4.420 nan 0.000 0.217 357 P C 0.548 177.886 177.300 0.063 0.000 1.148 357 P CA 1.307 64.412 63.100 0.008 0.000 0.828 357 P CB 0.141 31.856 31.700 0.024 0.000 0.783 358 D N -1.939 118.512 120.400 0.086 0.000 2.269 358 D HA -0.008 4.646 4.640 0.023 0.000 0.208 358 D C 1.579 177.917 176.300 0.064 0.000 0.963 358 D CA 1.433 55.482 54.000 0.081 0.000 0.864 358 D CB -0.938 39.916 40.800 0.089 0.000 0.936 358 D HN 0.278 nan 8.370 nan 0.000 0.505 359 G N -0.307 108.526 108.800 0.054 0.000 2.229 359 G HA2 -0.198 3.776 3.960 0.023 0.000 0.189 359 G HA3 -0.198 3.776 3.960 0.023 0.000 0.189 359 G C 0.302 175.226 174.900 0.040 0.000 1.000 359 G CA 0.201 45.325 45.100 0.040 0.000 0.663 359 G HN 0.778 nan 8.290 nan 0.000 0.493 360 S N 0.941 116.672 115.700 0.052 0.000 2.592 360 S HA 0.663 5.146 4.470 0.023 0.000 0.271 360 S C -2.161 172.461 174.600 0.037 0.000 1.326 360 S CA -1.092 57.147 58.200 0.064 0.000 1.024 360 S CB 1.801 65.044 63.200 0.072 0.000 0.921 360 S HN 0.133 nan 8.310 nan 0.000 0.527 361 P HA 0.289 nan 4.420 nan 0.000 0.268 361 P C -1.033 176.298 177.300 0.050 0.000 1.208 361 P CA -0.114 63.015 63.100 0.048 0.000 0.777 361 P CB 0.305 32.103 31.700 0.162 0.000 0.875 362 A N 3.041 125.864 122.820 0.005 0.000 2.288 362 A HA 0.425 4.759 4.320 0.023 0.000 0.320 362 A C -1.300 176.320 177.584 0.060 0.000 1.217 362 A CA -0.580 51.476 52.037 0.031 0.000 0.840 362 A CB 0.095 19.043 19.000 -0.088 0.000 1.179 362 A HN 0.594 nan 8.150 nan 0.000 0.504 363 Y N 2.535 122.820 120.300 -0.025 0.000 2.320 363 Y HA 0.456 5.021 4.550 0.024 0.000 0.334 363 Y C 0.881 176.751 175.900 -0.050 0.000 1.055 363 Y CA -0.172 57.914 58.100 -0.023 0.000 1.143 363 Y CB 0.571 39.035 38.460 0.007 0.000 1.193 363 Y HN 0.884 nan 8.280 nan 0.000 0.477 364 R N 2.819 122.932 120.500 -0.645 0.000 3.264 364 R HA -0.136 4.218 4.340 0.023 0.000 0.251 364 R C -1.585 174.509 176.300 -0.342 0.000 0.971 364 R CA 0.467 56.209 56.100 -0.596 0.000 0.658 364 R CB -2.045 27.765 30.300 -0.816 0.000 1.095 364 R HN 0.346 nan 8.270 nan 0.000 0.443 365 V N 1.455 121.183 119.914 -0.310 0.000 2.347 365 V HA 0.269 4.402 4.120 0.023 0.000 0.280 365 V C -1.774 174.169 176.094 -0.253 0.000 1.021 365 V CA -1.959 60.127 62.300 -0.356 0.000 0.847 365 V CB 1.800 33.259 31.823 -0.607 0.000 0.990 365 V HN 0.055 nan 8.190 nan 0.000 0.444 366 P HA 0.232 nan 4.420 nan 0.000 0.267 366 P C -0.754 176.473 177.300 -0.120 0.000 1.205 366 P CA 0.185 63.207 63.100 -0.130 0.000 0.765 366 P CB 0.767 32.410 31.700 -0.095 0.000 0.828 367 V N 0.115 119.976 119.914 -0.089 0.000 2.925 367 V HA 0.990 5.124 4.120 0.023 0.000 0.311 367 V C -0.877 175.197 176.094 -0.034 0.000 1.104 367 V CA -1.281 60.979 62.300 -0.067 0.000 0.954 367 V CB 1.804 33.584 31.823 -0.071 0.000 1.022 367 V HN 0.669 nan 8.190 nan 0.000 0.427 368 A N 2.264 125.075 122.820 -0.016 0.000 2.610 368 A HA 0.863 5.197 4.320 0.023 0.000 0.291 368 A C -1.178 176.417 177.584 0.018 0.000 1.086 368 A CA -0.623 51.414 52.037 -0.001 0.000 0.677 368 A CB 1.881 20.875 19.000 -0.010 0.000 1.278 368 A HN 1.506 nan 8.150 nan 0.000 0.414 369 V N 2.059 121.987 119.914 0.022 0.000 2.432 369 V HA 0.236 4.369 4.120 0.023 0.000 0.275 369 V C 0.481 176.583 176.094 0.013 0.000 1.043 369 V CA -0.339 61.978 62.300 0.029 0.000 0.925 369 V CB 1.273 33.113 31.823 0.028 0.000 0.985 369 V HN 0.900 nan 8.190 nan 0.000 0.466 370 Q N 2.609 122.418 119.800 0.014 0.000 2.286 370 Q HA 0.264 4.617 4.340 0.023 0.000 0.290 370 Q C 1.317 177.316 176.000 -0.002 0.000 1.049 370 Q CA 1.196 57.002 55.803 0.005 0.000 0.923 370 Q CB 0.512 29.253 28.738 0.005 0.000 1.183 370 Q HN 1.176 nan 8.270 nan 0.000 0.383 371 G N 2.740 111.538 108.800 -0.004 0.000 2.234 371 G HA2 -0.197 3.776 3.960 0.023 0.000 0.235 371 G HA3 -0.197 3.776 3.960 0.023 0.000 0.235 371 G C -0.043 174.854 174.900 -0.004 0.000 0.997 371 G CA -0.219 44.878 45.100 -0.005 0.000 0.623 371 G HN 0.565 nan 8.290 nan 0.000 0.514 372 E N 0.954 121.152 120.200 -0.004 0.000 2.873 372 E HA 0.284 4.647 4.350 0.023 0.000 0.232 372 E C -0.067 176.530 176.600 -0.005 0.000 1.123 372 E CA -0.526 55.872 56.400 -0.004 0.000 0.809 372 E CB 0.964 30.660 29.700 -0.007 0.000 1.366 372 E HN 0.203 nan 8.360 nan 0.000 0.400 373 D N 0.327 120.724 120.400 -0.006 0.000 2.144 373 D HA -0.151 4.503 4.640 0.023 0.000 0.199 373 D C 1.913 178.208 176.300 -0.009 0.000 0.984 373 D CA 1.834 55.829 54.000 -0.008 0.000 0.834 373 D CB 0.045 40.840 40.800 -0.008 0.000 0.955 373 D HN 0.454 nan 8.370 nan 0.000 0.465 374 T N -1.181 113.368 114.554 -0.008 0.000 2.803 374 T HA -0.116 4.248 4.350 0.023 0.000 0.269 374 T C 1.410 176.104 174.700 -0.011 0.000 1.052 374 T CA 0.510 62.604 62.100 -0.010 0.000 1.136 374 T CB -0.552 68.312 68.868 -0.008 0.000 0.864 374 T HN -0.056 nan 8.240 nan 0.000 0.467 375 V N 2.628 122.536 119.914 -0.010 0.000 2.055 375 V HA 0.271 4.405 4.120 0.023 0.000 0.248 375 V C 0.198 176.286 176.094 -0.009 0.000 1.476 375 V CA -0.256 62.038 62.300 -0.009 0.000 1.417 375 V CB -0.665 31.155 31.823 -0.005 0.000 1.465 375 V HN 0.522 nan 8.190 nan 0.000 0.502 376 Q N 1.517 121.308 119.800 -0.015 0.000 2.342 376 Q HA 0.688 5.042 4.340 0.023 0.000 0.267 376 Q C -0.727 175.258 176.000 -0.026 0.000 1.038 376 Q CA -0.178 55.612 55.803 -0.021 0.000 0.832 376 Q CB 2.321 31.044 28.738 -0.025 0.000 1.323 376 Q HN 0.576 nan 8.270 nan 0.000 0.448 377 S N 2.403 118.083 115.700 -0.033 0.000 2.638 377 S HA 0.675 5.158 4.470 0.023 0.000 0.274 377 S C -2.019 172.546 174.600 -0.058 0.000 1.157 377 S CA -0.624 57.553 58.200 -0.039 0.000 0.826 377 S CB 1.442 64.625 63.200 -0.028 0.000 1.139 377 S HN 0.519 nan 8.310 nan 0.000 0.474 378 L N 2.890 124.074 121.223 -0.064 0.000 2.341 378 L HA 0.625 4.979 4.340 0.023 0.000 0.278 378 L C 0.274 177.093 176.870 -0.085 0.000 1.005 378 L CA -0.060 54.722 54.840 -0.096 0.000 0.818 378 L CB 1.807 43.799 42.059 -0.112 0.000 1.259 378 L HN 0.890 nan 8.230 nan 0.000 0.418 379 T N 1.250 115.740 114.554 -0.107 0.000 2.930 379 T HA 0.310 4.674 4.350 0.023 0.000 0.306 379 T C 0.339 175.029 174.700 -0.016 0.000 1.045 379 T CA -0.718 61.350 62.100 -0.053 0.000 1.134 379 T CB 0.635 69.461 68.868 -0.070 0.000 0.961 379 T HN 0.554 nan 8.240 nan 0.000 0.545 380 Q N 1.932 121.772 119.800 0.066 0.000 2.335 380 Q HA 0.316 4.669 4.340 0.023 0.000 0.180 380 Q C 2.057 178.228 176.000 0.284 0.000 1.101 380 Q CA 0.111 56.001 55.803 0.145 0.000 1.165 380 Q CB -0.419 28.378 28.738 0.099 0.000 1.220 380 Q HN 0.940 nan 8.270 nan 0.000 0.626 381 G N 0.770 109.728 108.800 0.264 0.000 2.448 381 G HA2 -0.232 3.741 3.960 0.023 0.000 0.219 381 G HA3 -0.232 3.741 3.960 0.023 0.000 0.219 381 G C 0.668 175.648 174.900 0.133 0.000 1.127 381 G CA 1.145 46.341 45.100 0.159 0.000 0.766 381 G HN 0.671 nan 8.290 nan 0.000 0.552 382 D N -0.546 119.938 120.400 0.140 0.000 2.349 382 D HA 0.178 4.832 4.640 0.023 0.000 0.224 382 D C 1.645 178.114 176.300 0.282 0.000 1.029 382 D CA 0.548 54.650 54.000 0.170 0.000 0.879 382 D CB -0.629 40.244 40.800 0.123 0.000 0.906 382 D HN 0.482 nan 8.370 nan 0.000 0.528 383 G N -0.452 108.484 108.800 0.227 0.000 2.149 383 G HA2 -0.188 3.786 3.960 0.023 0.000 0.235 383 G HA3 -0.188 3.786 3.960 0.023 0.000 0.235 383 G C -0.167 174.889 174.900 0.261 0.000 1.018 383 G CA 0.199 45.409 45.100 0.182 0.000 0.728 383 G HN 0.393 nan 8.290 nan 0.000 0.508 384 V N -0.075 119.975 119.914 0.227 0.000 2.540 384 V HA 0.902 5.036 4.120 0.023 0.000 0.302 384 V C 0.423 176.571 176.094 0.091 0.000 1.035 384 V CA -0.180 62.240 62.300 0.201 0.000 0.873 384 V CB 1.708 33.632 31.823 0.168 0.000 0.992 384 V HN 1.319 nan 8.190 nan 0.000 0.428 385 A N 4.078 126.936 122.820 0.064 0.000 2.413 385 A HA 0.847 5.180 4.320 0.023 0.000 0.307 385 A C -0.748 176.849 177.584 0.022 0.000 1.087 385 A CA -0.842 51.208 52.037 0.021 0.000 0.750 385 A CB 1.753 20.747 19.000 -0.011 0.000 1.296 385 A HN 0.759 nan 8.150 nan 0.000 0.423 386 K N 1.806 122.208 120.400 0.002 0.000 2.235 386 K HA 0.674 5.008 4.320 0.023 0.000 0.266 386 K C -1.720 174.872 176.600 -0.013 0.000 0.980 386 K CA -0.336 55.946 56.287 -0.009 0.000 0.849 386 K CB 0.678 33.164 32.500 -0.023 0.000 1.098 386 K HN 0.638 nan 8.250 nan 0.000 0.445 387 L N 3.279 124.495 121.223 -0.012 0.000 2.319 387 L HA 0.345 4.699 4.340 0.023 0.000 0.281 387 L C -0.689 176.163 176.870 -0.031 0.000 1.005 387 L CA -0.728 54.107 54.840 -0.008 0.000 0.828 387 L CB 2.029 44.102 42.059 0.023 0.000 1.227 387 L HN 0.586 nan 8.230 nan 0.000 0.415 388 S N 4.763 120.446 115.700 -0.028 0.000 2.438 388 S HA 0.619 5.102 4.470 0.023 0.000 0.316 388 S C -0.227 174.362 174.600 -0.020 0.000 1.084 388 S CA -0.552 57.627 58.200 -0.035 0.000 1.107 388 S CB 1.079 64.261 63.200 -0.030 0.000 0.981 388 S HN 0.535 nan 8.310 nan 0.000 0.466 389 I N 0.774 121.342 120.570 -0.002 0.000 2.648 389 I HA 0.640 4.824 4.170 0.023 0.000 0.304 389 I C -0.852 175.231 176.117 -0.056 0.000 1.009 389 I CA -0.959 60.331 61.300 -0.018 0.000 1.114 389 I CB 1.455 39.455 38.000 0.001 0.000 1.293 389 I HN 0.214 nan 8.210 nan 0.000 0.449 390 N N 3.735 122.366 118.700 -0.114 0.000 2.414 390 N HA 0.304 5.058 4.740 0.023 0.000 0.256 390 N C -0.704 174.612 175.510 -0.324 0.000 1.029 390 N CA -0.253 52.684 53.050 -0.189 0.000 0.948 390 N CB 1.453 39.827 38.487 -0.189 0.000 1.102 390 N HN 0.650 nan 8.380 nan 0.000 0.496 391 T N 2.527 116.920 114.554 -0.268 0.000 2.889 391 T HA 0.216 4.580 4.350 0.023 0.000 0.291 391 T C 0.041 174.559 174.700 -0.303 0.000 0.995 391 T CA -0.262 61.670 62.100 -0.281 0.000 1.092 391 T CB 0.588 69.373 68.868 -0.138 0.000 0.954 391 T HN 0.304 nan 8.240 nan 0.000 0.506 392 H N 2.345 121.392 119.070 -0.037 0.000 2.467 392 H HA 0.274 4.844 4.556 0.023 0.000 0.331 392 H C -2.331 173.010 175.328 0.022 0.000 1.120 392 H CA -2.471 53.571 56.048 -0.009 0.000 1.270 392 H CB 0.859 30.612 29.762 -0.015 0.000 1.466 392 H HN 0.295 nan 8.280 nan 0.000 0.504 393 P HA -0.031 nan 4.420 nan 0.000 0.256 393 P C -0.582 176.789 177.300 0.118 0.000 1.189 393 P CA 0.592 63.760 63.100 0.113 0.000 0.808 393 P CB 0.234 31.997 31.700 0.105 0.000 0.793 394 S N 2.223 118.001 115.700 0.131 0.000 2.597 394 S HA 0.243 4.727 4.470 0.023 0.000 0.274 394 S C -0.012 174.672 174.600 0.140 0.000 1.132 394 S CA -0.822 57.450 58.200 0.121 0.000 0.835 394 S CB 1.269 64.534 63.200 0.109 0.000 1.092 394 S HN 0.149 nan 8.310 nan 0.000 0.457 395 Q N 0.602 120.465 119.800 0.105 0.000 2.280 395 Q HA 0.225 4.579 4.340 0.023 0.000 0.201 395 Q C -0.394 175.671 176.000 0.109 0.000 0.890 395 Q CA 0.289 56.147 55.803 0.092 0.000 0.947 395 Q CB 0.145 28.919 28.738 0.059 0.000 1.081 395 Q HN 0.602 nan 8.270 nan 0.000 0.502 396 K N 2.042 122.514 120.400 0.119 0.000 2.322 396 K HA 0.231 4.565 4.320 0.023 0.000 0.283 396 K C -2.388 174.288 176.600 0.128 0.000 1.042 396 K CA -1.649 54.691 56.287 0.088 0.000 0.958 396 K CB 0.110 32.637 32.500 0.046 0.000 0.984 396 K HN -0.126 nan 8.250 nan 0.000 0.473 397 P HA -0.083 nan 4.420 nan 0.000 0.261 397 P C -0.689 176.576 177.300 -0.058 0.000 1.183 397 P CA -0.238 62.905 63.100 0.072 0.000 0.761 397 P CB 0.300 32.008 31.700 0.014 0.000 0.785 398 L N 3.596 124.701 121.223 -0.198 0.000 2.331 398 L HA 0.371 4.725 4.340 0.023 0.000 0.278 398 L C 0.179 176.848 176.870 -0.335 0.000 1.106 398 L CA 0.448 54.996 54.840 -0.486 0.000 0.824 398 L CB 0.644 42.012 42.059 -1.152 0.000 1.142 398 L HN 0.227 nan 8.230 nan 0.000 0.443 399 S N 5.973 121.516 115.700 -0.262 0.000 2.498 399 S HA 0.724 5.208 4.470 0.023 0.000 0.317 399 S C -0.797 173.695 174.600 -0.180 0.000 1.090 399 S CA -0.786 57.298 58.200 -0.193 0.000 1.089 399 S CB 0.358 63.484 63.200 -0.123 0.000 0.997 399 S HN 0.453 nan 8.310 nan 0.000 0.470 400 I N 4.103 124.560 120.570 -0.187 0.000 2.465 400 I HA 0.393 4.577 4.170 0.023 0.000 0.291 400 I C -0.134 175.940 176.117 -0.071 0.000 1.014 400 I CA -0.525 60.695 61.300 -0.133 0.000 1.093 400 I CB 1.514 39.426 38.000 -0.147 0.000 1.267 400 I HN 0.481 nan 8.210 nan 0.000 0.431 401 T N 5.321 119.879 114.554 0.007 0.000 2.815 401 T HA 0.521 4.884 4.350 0.023 0.000 0.289 401 T C -0.143 174.626 174.700 0.115 0.000 1.000 401 T CA -0.405 61.740 62.100 0.074 0.000 0.958 401 T CB 1.869 70.759 68.868 0.037 0.000 0.944 401 T HN 0.239 nan 8.240 nan 0.000 0.442 402 V N 4.956 124.996 119.914 0.209 0.000 2.435 402 V HA 0.570 4.703 4.120 0.023 0.000 0.290 402 V C 0.168 176.295 176.094 0.055 0.000 1.030 402 V CA -0.802 61.587 62.300 0.149 0.000 0.881 402 V CB 1.541 33.497 31.823 0.221 0.000 0.983 402 V HN 0.711 nan 8.190 nan 0.000 0.445 403 R N 1.766 122.278 120.500 0.019 0.000 2.750 403 R HA 0.605 4.959 4.340 0.023 0.000 0.281 403 R C -0.318 175.965 176.300 -0.029 0.000 0.972 403 R CA -0.692 55.404 56.100 -0.008 0.000 0.912 403 R CB 2.205 32.505 30.300 -0.001 0.000 1.187 403 R HN 0.822 nan 8.270 nan 0.000 0.464 404 T N -0.700 113.830 114.554 -0.040 0.000 2.869 404 T HA 0.236 4.600 4.350 0.023 0.000 0.295 404 T C 0.397 175.077 174.700 -0.034 0.000 0.987 404 T CA -0.676 61.390 62.100 -0.057 0.000 1.109 404 T CB 1.069 69.903 68.868 -0.058 0.000 0.932 404 T HN 0.448 nan 8.240 nan 0.000 0.518 405 K N 1.185 121.557 120.400 -0.046 0.000 2.832 405 K HA 0.162 4.496 4.320 0.023 0.000 0.211 405 K C 0.080 176.662 176.600 -0.030 0.000 1.112 405 K CA -0.623 55.645 56.287 -0.032 0.000 1.108 405 K CB 0.384 32.864 32.500 -0.032 0.000 0.899 405 K HN 0.420 nan 8.250 nan 0.000 0.464 406 K N 2.501 122.890 120.400 -0.018 0.000 2.361 406 K HA -0.030 4.304 4.320 0.023 0.000 0.283 406 K C -0.210 176.397 176.600 0.010 0.000 1.078 406 K CA 0.469 56.759 56.287 0.005 0.000 1.041 406 K CB 0.044 32.608 32.500 0.105 0.000 0.932 406 K HN 0.132 nan 8.250 nan 0.000 0.462 407 Q N 3.088 122.885 119.800 -0.006 0.000 2.428 407 Q HA -0.086 4.267 4.340 0.023 0.000 0.276 407 Q C 0.323 176.324 176.000 0.002 0.000 1.059 407 Q CA 1.310 57.109 55.803 -0.006 0.000 0.923 407 Q CB 0.432 29.163 28.738 -0.012 0.000 1.283 407 Q HN 0.888 nan 8.270 nan 0.000 0.447 408 E N -1.257 118.940 120.200 -0.005 0.000 4.233 408 E HA -0.226 4.137 4.350 0.023 0.000 0.400 408 E C -1.274 175.314 176.600 -0.020 0.000 0.563 408 E CA 0.396 56.792 56.400 -0.007 0.000 1.422 408 E CB -1.064 28.637 29.700 0.001 0.000 1.876 408 E HN 0.362 nan 8.360 nan 0.000 0.364 409 L N 2.305 123.515 121.223 -0.021 0.000 2.330 409 L HA 0.519 4.873 4.340 0.023 0.000 0.271 409 L C 0.542 177.388 176.870 -0.041 0.000 1.013 409 L CA 0.132 54.943 54.840 -0.049 0.000 0.816 409 L CB 1.736 43.764 42.059 -0.051 0.000 1.287 409 L HN 0.335 nan 8.230 nan 0.000 0.435 410 S N 0.047 115.714 115.700 -0.054 0.000 2.617 410 S HA 0.262 4.746 4.470 0.023 0.000 0.269 410 S C 0.741 175.326 174.600 -0.026 0.000 1.292 410 S CA -0.609 57.572 58.200 -0.032 0.000 1.010 410 S CB 0.968 64.153 63.200 -0.024 0.000 0.944 410 S HN 0.572 nan 8.310 nan 0.000 0.536 411 E N 1.124 121.315 120.200 -0.014 0.000 2.209 411 E HA -0.113 4.250 4.350 0.023 0.000 0.196 411 E C 2.104 178.704 176.600 -0.000 0.000 0.993 411 E CA 1.370 57.765 56.400 -0.008 0.000 0.819 411 E CB -0.801 28.895 29.700 -0.007 0.000 0.745 411 E HN 0.820 nan 8.360 nan 0.000 0.477 412 A N 0.978 123.803 122.820 0.009 0.000 2.066 412 A HA -0.131 4.202 4.320 0.023 0.000 0.218 412 A C 1.722 179.339 177.584 0.056 0.000 1.157 412 A CA 0.915 52.977 52.037 0.041 0.000 0.670 412 A CB -0.126 18.909 19.000 0.058 0.000 0.804 412 A HN 0.167 nan 8.150 nan 0.000 0.453 413 E N -0.113 120.084 120.200 -0.005 0.000 2.472 413 E HA 0.031 4.394 4.350 0.023 0.000 0.196 413 E C -0.219 176.335 176.600 -0.077 0.000 1.033 413 E CA -0.263 56.088 56.400 -0.081 0.000 0.886 413 E CB 0.162 29.710 29.700 -0.254 0.000 0.944 413 E HN 0.534 nan 8.360 nan 0.000 0.492 414 Q N 0.997 120.779 119.800 -0.030 0.000 2.332 414 Q HA 0.307 4.660 4.340 0.023 0.000 0.263 414 Q C -0.105 175.889 176.000 -0.009 0.000 0.979 414 Q CA -0.085 55.715 55.803 -0.005 0.000 0.885 414 Q CB 1.207 29.944 28.738 -0.002 0.000 1.218 414 Q HN 0.094 nan 8.270 nan 0.000 0.405 415 A N 2.480 125.301 122.820 0.001 0.000 2.388 415 A HA 0.454 4.788 4.320 0.023 0.000 0.257 415 A C 0.221 177.779 177.584 -0.043 0.000 1.095 415 A CA 0.019 52.037 52.037 -0.032 0.000 0.791 415 A CB 0.697 19.677 19.000 -0.033 0.000 1.029 415 A HN 0.626 nan 8.150 nan 0.000 0.489 416 T N 0.427 114.952 114.554 -0.049 0.000 2.900 416 T HA 0.696 5.060 4.350 0.023 0.000 0.303 416 T C -0.870 173.813 174.700 -0.029 0.000 1.142 416 T CA -0.622 61.462 62.100 -0.027 0.000 1.007 416 T CB 1.111 69.978 68.868 -0.001 0.000 1.156 416 T HN 0.984 nan 8.240 nan 0.000 0.490 417 R N 1.145 121.662 120.500 0.028 0.000 2.663 417 R HA 0.673 5.027 4.340 0.023 0.000 0.267 417 R C -1.722 174.755 176.300 0.294 0.000 1.038 417 R CA -0.390 55.775 56.100 0.109 0.000 0.886 417 R CB 1.960 32.246 30.300 -0.023 0.000 1.249 417 R HN 0.705 nan 8.270 nan 0.000 0.463 418 T N 3.923 118.641 114.554 0.273 0.000 2.881 418 T HA 0.633 4.997 4.350 0.023 0.000 0.290 418 T C -0.588 174.144 174.700 0.053 0.000 1.000 418 T CA -0.735 61.454 62.100 0.148 0.000 0.978 418 T CB 1.062 69.960 68.868 0.051 0.000 0.997 418 T HN 0.617 nan 8.240 nan 0.000 0.443 419 M N 1.467 120.931 119.600 -0.227 0.000 2.727 419 M HA 0.719 5.213 4.480 0.023 0.000 0.300 419 M C -1.187 174.958 176.300 -0.260 0.000 1.246 419 M CA -1.015 54.090 55.300 -0.325 0.000 0.835 419 M CB 2.350 34.477 32.600 -0.787 0.000 1.755 419 M HN 0.407 nan 8.290 nan 0.000 0.473 420 Q N 0.893 120.569 119.800 -0.208 0.000 2.356 420 Q HA 0.799 5.153 4.340 0.023 0.000 0.270 420 Q C -2.062 173.817 176.000 -0.201 0.000 1.058 420 Q CA -0.730 54.960 55.803 -0.188 0.000 0.802 420 Q CB 2.642 31.306 28.738 -0.123 0.000 1.303 420 Q HN 0.979 nan 8.270 nan 0.000 0.444 421 A N 4.355 127.040 122.820 -0.226 0.000 2.342 421 A HA 0.693 5.027 4.320 0.023 0.000 0.323 421 A C -1.189 176.448 177.584 0.089 0.000 1.125 421 A CA -0.627 51.312 52.037 -0.163 0.000 0.785 421 A CB 0.908 19.685 19.000 -0.372 0.000 1.221 421 A HN 0.749 nan 8.150 nan 0.000 0.463 422 L N 2.400 123.621 121.223 -0.005 0.000 2.334 422 L HA 0.443 4.796 4.340 0.023 0.000 0.275 422 L C -2.297 174.506 176.870 -0.112 0.000 1.036 422 L CA -2.274 52.599 54.840 0.055 0.000 0.807 422 L CB 1.966 44.018 42.059 -0.012 0.000 1.231 422 L HN 0.417 nan 8.230 nan 0.000 0.438 423 P HA -0.041 nan 4.420 nan 0.000 0.271 423 P C -1.145 176.050 177.300 -0.175 0.000 1.216 423 P CA -0.055 62.627 63.100 -0.697 0.000 0.771 423 P CB 0.173 31.669 31.700 -0.342 0.000 0.864 424 Y N 3.391 123.554 120.300 -0.227 0.000 2.587 424 Y HA 0.124 4.688 4.550 0.023 0.000 0.344 424 Y C 0.742 176.691 175.900 0.080 0.000 1.061 424 Y CA 0.086 58.185 58.100 -0.002 0.000 1.370 424 Y CB 0.136 38.659 38.460 0.104 0.000 1.163 424 Y HN 0.248 nan 8.280 nan 0.000 0.527 425 S N 5.182 120.625 115.700 -0.428 0.000 2.516 425 S HA 0.087 4.570 4.470 0.023 0.000 0.282 425 S C 0.131 174.421 174.600 -0.516 0.000 1.286 425 S CA -0.160 57.835 58.200 -0.342 0.000 1.066 425 S CB 0.107 63.149 63.200 -0.263 0.000 0.884 425 S HN 0.870 nan 8.310 nan 0.000 0.491 426 T N 3.690 118.095 114.554 -0.248 0.000 2.929 426 T HA 0.444 4.808 4.350 0.023 0.000 0.284 426 T C -0.394 174.218 174.700 -0.146 0.000 1.014 426 T CA -0.796 61.171 62.100 -0.221 0.000 1.051 426 T CB 0.758 69.454 68.868 -0.287 0.000 1.028 426 T HN 0.428 nan 8.240 nan 0.000 0.485 427 V N 4.328 124.170 119.914 -0.120 0.000 2.425 427 V HA 0.361 4.495 4.120 0.023 0.000 0.276 427 V C 1.691 177.735 176.094 -0.083 0.000 1.017 427 V CA 0.897 63.143 62.300 -0.089 0.000 1.062 427 V CB -0.056 31.697 31.823 -0.117 0.000 0.997 427 V HN 1.304 nan 8.190 nan 0.000 0.476 428 G N 5.273 114.037 108.800 -0.060 0.000 2.225 428 G HA2 -0.317 3.657 3.960 0.023 0.000 0.267 428 G HA3 -0.317 3.657 3.960 0.023 0.000 0.267 428 G C 0.336 175.209 174.900 -0.044 0.000 1.024 428 G CA 0.226 45.297 45.100 -0.047 0.000 0.784 428 G HN 0.997 nan 8.290 nan 0.000 0.507 429 N N -1.608 117.063 118.700 -0.049 0.000 2.725 429 N HA -0.203 4.551 4.740 0.023 0.000 0.251 429 N C 1.426 176.917 175.510 -0.033 0.000 1.031 429 N CA 1.739 54.770 53.050 -0.032 0.000 0.720 429 N CB -1.495 36.988 38.487 -0.007 0.000 0.930 429 N HN 1.348 nan 8.380 nan 0.000 0.543 430 S N -1.036 114.622 115.700 -0.069 0.000 2.528 430 S HA 0.020 4.503 4.470 0.023 0.000 0.219 430 S C 0.786 175.357 174.600 -0.048 0.000 0.985 430 S CA 0.354 58.516 58.200 -0.063 0.000 0.914 430 S CB 0.275 63.416 63.200 -0.099 0.000 0.776 430 S HN 0.364 nan 8.310 nan 0.000 0.526 431 N N 1.489 120.133 118.700 -0.093 0.000 2.776 431 N HA -0.112 4.642 4.740 0.023 0.000 0.249 431 N C -1.642 173.785 175.510 -0.138 0.000 1.111 431 N CA 0.826 53.855 53.050 -0.035 0.000 0.711 431 N CB -2.190 36.384 38.487 0.145 0.000 1.065 431 N HN 0.508 nan 8.380 nan 0.000 0.556 432 N N 0.681 119.181 118.700 -0.333 0.000 2.425 432 N HA 0.451 5.204 4.740 0.023 0.000 0.268 432 N C -0.434 174.875 175.510 -0.335 0.000 0.991 432 N CA 0.026 52.984 53.050 -0.153 0.000 0.931 432 N CB 0.497 38.982 38.487 -0.003 0.000 1.130 432 N HN 0.171 nan 8.380 nan 0.000 0.493 433 Y N 0.397 120.809 120.300 0.186 0.000 2.605 433 Y HA 0.635 5.199 4.550 0.023 0.000 0.343 433 Y C -0.530 175.469 175.900 0.165 0.000 1.036 433 Y CA -1.261 56.894 58.100 0.091 0.000 1.065 433 Y CB 1.670 40.156 38.460 0.042 0.000 1.288 433 Y HN 0.255 nan 8.280 nan 0.000 0.481 434 L N 1.532 122.884 121.223 0.214 0.000 2.410 434 L HA 0.570 4.924 4.340 0.023 0.000 0.270 434 L C -1.797 175.150 176.870 0.128 0.000 0.983 434 L CA -0.505 54.480 54.840 0.242 0.000 0.822 434 L CB 1.607 43.851 42.059 0.310 0.000 1.285 434 L HN 0.772 nan 8.230 nan 0.000 0.409 435 H N 4.141 123.210 119.070 -0.001 0.000 2.609 435 H HA 0.686 5.255 4.556 0.023 0.000 0.344 435 H C -1.686 173.550 175.328 -0.153 0.000 1.040 435 H CA -0.419 55.591 56.048 -0.063 0.000 1.216 435 H CB 1.351 31.096 29.762 -0.028 0.000 1.529 435 H HN 0.674 nan 8.280 nan 0.000 0.519 436 L N 4.413 125.220 121.223 -0.692 0.000 2.307 436 L HA 0.490 4.843 4.340 0.023 0.000 0.284 436 L C -0.384 176.044 176.870 -0.737 0.000 1.023 436 L CA -0.692 53.744 54.840 -0.673 0.000 0.810 436 L CB 1.600 43.337 42.059 -0.537 0.000 1.231 436 L HN 0.732 nan 8.230 nan 0.000 0.423 437 S N 2.378 117.781 115.700 -0.494 0.000 2.538 437 S HA 0.824 5.308 4.470 0.023 0.000 0.288 437 S C -0.850 173.616 174.600 -0.223 0.000 1.108 437 S CA -0.751 57.263 58.200 -0.309 0.000 0.971 437 S CB 2.194 65.311 63.200 -0.138 0.000 1.041 437 S HN 0.213 nan 8.310 nan 0.000 0.483 438 V N 3.499 123.306 119.914 -0.179 0.000 2.735 438 V HA 0.440 4.574 4.120 0.023 0.000 0.310 438 V C -0.393 175.636 176.094 -0.108 0.000 1.061 438 V CA -1.069 61.143 62.300 -0.146 0.000 0.913 438 V CB 1.959 33.682 31.823 -0.167 0.000 1.005 438 V HN 0.943 nan 8.190 nan 0.000 0.428 439 L N 4.018 125.188 121.223 -0.088 0.000 2.462 439 L HA 0.276 4.629 4.340 0.023 0.000 0.272 439 L C 0.580 177.408 176.870 -0.069 0.000 1.166 439 L CA 0.105 54.905 54.840 -0.067 0.000 0.880 439 L CB 0.594 42.620 42.059 -0.055 0.000 1.142 439 L HN 0.710 nan 8.230 nan 0.000 0.473 440 R N 3.392 123.859 120.500 -0.055 0.000 2.608 440 R HA 0.328 4.681 4.340 0.023 0.000 0.277 440 R C -1.189 175.091 176.300 -0.034 0.000 1.341 440 R CA 0.078 56.150 56.100 -0.047 0.000 1.199 440 R CB -0.224 30.058 30.300 -0.031 0.000 1.156 440 R HN 0.699 nan 8.270 nan 0.000 0.558 441 T N 2.298 116.827 114.554 -0.043 0.000 2.932 441 T HA 0.203 4.567 4.350 0.023 0.000 0.318 441 T C -1.106 173.570 174.700 -0.040 0.000 1.265 441 T CA -0.931 61.152 62.100 -0.028 0.000 1.036 441 T CB 1.462 70.314 68.868 -0.027 0.000 1.209 441 T HN 0.409 nan 8.240 nan 0.000 0.484 442 E N 1.558 121.744 120.200 -0.024 0.000 2.614 442 E HA 0.035 4.399 4.350 0.023 0.000 0.245 442 E C -0.611 175.957 176.600 -0.053 0.000 1.039 442 E CA -0.088 56.291 56.400 -0.036 0.000 0.948 442 E CB 0.285 29.974 29.700 -0.018 0.000 0.937 442 E HN 0.236 nan 8.360 nan 0.000 0.498 443 L N 4.865 126.044 121.223 -0.074 0.000 2.276 443 L HA 0.262 4.616 4.340 0.023 0.000 0.286 443 L C -0.293 176.530 176.870 -0.079 0.000 1.061 443 L CA 0.099 54.892 54.840 -0.079 0.000 0.807 443 L CB 0.755 42.763 42.059 -0.085 0.000 1.177 443 L HN 0.369 nan 8.230 nan 0.000 0.429 444 R N 4.807 125.260 120.500 -0.079 0.000 2.740 444 R HA 0.514 4.868 4.340 0.023 0.000 0.282 444 R C -2.471 173.775 176.300 -0.090 0.000 0.969 444 R CA -2.014 54.041 56.100 -0.074 0.000 0.918 444 R CB 1.356 31.623 30.300 -0.055 0.000 1.175 444 R HN 0.426 nan 8.270 nan 0.000 0.464 445 P HA 0.006 nan 4.420 nan 0.000 0.262 445 P C 0.447 177.706 177.300 -0.068 0.000 1.199 445 P CA 0.975 64.028 63.100 -0.078 0.000 0.763 445 P CB 0.560 32.240 31.700 -0.033 0.000 0.790 446 G N 2.273 111.020 108.800 -0.088 0.000 2.255 446 G HA2 -0.151 3.823 3.960 0.023 0.000 0.196 446 G HA3 -0.151 3.823 3.960 0.023 0.000 0.196 446 G C -0.042 174.811 174.900 -0.079 0.000 0.998 446 G CA -0.449 44.611 45.100 -0.067 0.000 0.656 446 G HN 0.513 nan 8.290 nan 0.000 0.490 447 E N 0.666 120.805 120.200 -0.102 0.000 2.283 447 E HA 0.578 4.942 4.350 0.023 0.000 0.267 447 E C -0.567 175.957 176.600 -0.128 0.000 1.045 447 E CA -0.264 56.077 56.400 -0.099 0.000 0.884 447 E CB 1.155 30.800 29.700 -0.092 0.000 1.106 447 E HN 0.064 nan 8.360 nan 0.000 0.408 448 T N 1.969 116.462 114.554 -0.102 0.000 2.758 448 T HA 0.311 4.675 4.350 0.023 0.000 0.285 448 T C -0.797 173.843 174.700 -0.101 0.000 0.981 448 T CA -0.590 61.445 62.100 -0.108 0.000 0.965 448 T CB 0.434 69.257 68.868 -0.075 0.000 0.927 448 T HN 0.120 nan 8.240 nan 0.000 0.448 449 L N 4.631 125.782 121.223 -0.121 0.000 2.272 449 L HA 0.497 4.851 4.340 0.023 0.000 0.289 449 L C -0.478 176.349 176.870 -0.073 0.000 1.032 449 L CA -0.553 54.231 54.840 -0.093 0.000 0.810 449 L CB 0.682 42.688 42.059 -0.087 0.000 1.205 449 L HN 0.403 nan 8.230 nan 0.000 0.422 450 N N 4.010 122.674 118.700 -0.060 0.000 2.411 450 N HA 0.261 5.015 4.740 0.023 0.000 0.259 450 N C -0.924 174.550 175.510 -0.060 0.000 1.103 450 N CA -0.156 52.866 53.050 -0.046 0.000 0.954 450 N CB 1.361 39.827 38.487 -0.035 0.000 1.085 450 N HN 0.341 nan 8.380 nan 0.000 0.485 451 V N 3.249 123.131 119.914 -0.053 0.000 2.394 451 V HA 0.278 4.411 4.120 0.023 0.000 0.282 451 V C 0.036 176.071 176.094 -0.098 0.000 1.031 451 V CA -0.872 61.355 62.300 -0.121 0.000 0.881 451 V CB 0.886 32.619 31.823 -0.150 0.000 0.982 451 V HN 0.528 nan 8.190 nan 0.000 0.451 452 N N 4.368 122.948 118.700 -0.200 0.000 2.426 452 N HA 0.447 5.201 4.740 0.023 0.000 0.275 452 N C -0.995 174.340 175.510 -0.292 0.000 1.019 452 N CA -0.149 52.827 53.050 -0.123 0.000 0.941 452 N CB 1.426 39.862 38.487 -0.085 0.000 1.123 452 N HN 0.481 nan 8.380 nan 0.000 0.486 453 F N 1.984 121.817 119.950 -0.194 0.000 2.334 453 F HA 0.291 4.832 4.527 0.023 0.000 0.367 453 F C 0.208 175.879 175.800 -0.216 0.000 1.115 453 F CA -0.960 56.843 58.000 -0.328 0.000 1.116 453 F CB 0.947 39.547 39.000 -0.667 0.000 1.230 453 F HN 0.188 nan 8.300 nan 0.000 0.484 454 L N 5.549 126.772 121.223 -0.001 0.000 2.272 454 L HA 0.572 4.925 4.340 0.023 0.000 0.289 454 L C -1.136 175.805 176.870 0.118 0.000 1.032 454 L CA -0.729 54.159 54.840 0.080 0.000 0.810 454 L CB 1.069 43.207 42.059 0.131 0.000 1.205 454 L HN 0.519 nan 8.230 nan 0.000 0.422 455 L N 5.791 127.090 121.223 0.127 0.000 2.317 455 L HA 0.643 4.996 4.340 0.023 0.000 0.281 455 L C -0.746 176.207 176.870 0.138 0.000 1.024 455 L CA -0.150 54.780 54.840 0.151 0.000 0.810 455 L CB 1.263 43.396 42.059 0.124 0.000 1.240 455 L HN 0.730 nan 8.230 nan 0.000 0.427 456 R N 6.833 127.445 120.500 0.187 0.000 2.514 456 R HA 0.797 5.151 4.340 0.023 0.000 0.296 456 R C -1.478 174.943 176.300 0.202 0.000 1.012 456 R CA -0.468 55.748 56.100 0.193 0.000 0.897 456 R CB 1.158 31.604 30.300 0.242 0.000 1.184 456 R HN 0.924 nan 8.270 nan 0.000 0.440 457 M N 0.495 120.180 119.600 0.141 0.000 2.853 457 M HA 0.288 4.782 4.480 0.023 0.000 0.273 457 M C -1.726 174.636 176.300 0.103 0.000 1.128 457 M CA -1.201 54.173 55.300 0.123 0.000 0.814 457 M CB 1.365 34.030 32.600 0.108 0.000 1.667 457 M HN 0.389 nan 8.290 nan 0.000 0.519 458 D N 1.100 121.568 120.400 0.114 0.000 2.449 458 D HA 0.156 4.810 4.640 0.023 0.000 0.236 458 D C 0.542 176.889 176.300 0.080 0.000 1.149 458 D CA -0.094 53.969 54.000 0.105 0.000 0.878 458 D CB 0.739 41.620 40.800 0.135 0.000 1.198 458 D HN 0.707 nan 8.370 nan 0.000 0.446 459 R N 1.624 122.147 120.500 0.040 0.000 2.127 459 R HA -0.129 4.225 4.340 0.023 0.000 0.238 459 R C 2.084 178.361 176.300 -0.038 0.000 1.134 459 R CA 1.370 57.474 56.100 0.005 0.000 0.975 459 R CB -0.445 29.853 30.300 -0.002 0.000 0.865 459 R HN 0.627 nan 8.270 nan 0.000 0.447 460 A N 0.539 123.312 122.820 -0.078 0.000 1.978 460 A HA -0.182 4.152 4.320 0.023 0.000 0.220 460 A C 1.119 178.462 177.584 -0.401 0.000 1.170 460 A CA 1.544 53.423 52.037 -0.262 0.000 0.636 460 A CB -0.352 18.426 19.000 -0.370 0.000 0.810 460 A HN 0.425 nan 8.150 nan 0.000 0.448 461 H N -1.610 117.450 119.070 -0.017 0.000 2.893 461 H HA 0.176 4.746 4.556 0.023 0.000 0.270 461 H C 1.690 176.988 175.328 -0.050 0.000 1.095 461 H CA 0.520 56.551 56.048 -0.029 0.000 1.186 461 H CB 0.285 30.036 29.762 -0.019 0.000 1.562 461 H HN 0.726 nan 8.280 nan 0.000 0.536 462 E N 1.182 121.403 120.200 0.036 0.000 2.160 462 E HA -0.163 4.201 4.350 0.023 0.000 0.195 462 E C 2.084 178.648 176.600 -0.061 0.000 0.991 462 E CA 1.372 57.759 56.400 -0.021 0.000 0.810 462 E CB -0.280 29.412 29.700 -0.013 0.000 0.742 462 E HN 0.348 nan 8.360 nan 0.000 0.466 463 A N 1.098 123.889 122.820 -0.049 0.000 2.015 463 A HA -0.159 4.174 4.320 0.023 0.000 0.219 463 A C 2.183 179.723 177.584 -0.073 0.000 1.163 463 A CA 1.611 53.613 52.037 -0.058 0.000 0.646 463 A CB -0.603 18.369 19.000 -0.048 0.000 0.806 463 A HN 0.287 nan 8.150 nan 0.000 0.448 464 K N -0.353 120.009 120.400 -0.064 0.000 2.097 464 K HA -0.073 4.261 4.320 0.023 0.000 0.206 464 K C 0.125 176.631 176.600 -0.156 0.000 1.049 464 K CA 0.651 56.893 56.287 -0.075 0.000 0.933 464 K CB -0.203 32.279 32.500 -0.030 0.000 0.717 464 K HN 0.333 nan 8.250 nan 0.000 0.442 465 I N 2.977 123.414 120.570 -0.223 0.000 2.581 465 I HA -0.040 4.143 4.170 0.023 0.000 0.285 465 I C 0.746 176.642 176.117 -0.368 0.000 1.129 465 I CA 0.697 61.758 61.300 -0.397 0.000 1.397 465 I CB 0.712 38.379 38.000 -0.555 0.000 1.399 465 I HN 0.259 nan 8.210 nan 0.000 0.537 466 R N 6.021 126.280 120.500 -0.401 0.000 2.509 466 R HA 0.204 4.557 4.340 0.023 0.000 0.297 466 R C -0.787 175.450 176.300 -0.105 0.000 0.951 466 R CA -0.080 55.907 56.100 -0.189 0.000 1.103 466 R CB 0.360 30.649 30.300 -0.017 0.000 1.283 466 R HN 0.717 nan 8.270 nan 0.000 0.534 467 Y N -2.957 117.134 120.300 -0.348 0.000 2.662 467 Y HA 0.535 5.099 4.550 0.023 0.000 0.334 467 Y C -1.732 173.877 175.900 -0.485 0.000 1.185 467 Y CA -2.059 55.849 58.100 -0.321 0.000 1.074 467 Y CB 0.344 38.728 38.460 -0.126 0.000 1.330 467 Y HN -0.170 nan 8.280 nan 0.000 0.458 468 Y N 0.404 120.750 120.300 0.077 0.000 2.393 468 Y HA 0.637 5.201 4.550 0.023 0.000 0.341 468 Y C -0.078 175.916 175.900 0.157 0.000 0.988 468 Y CA -1.106 57.020 58.100 0.043 0.000 1.078 468 Y CB 2.535 40.920 38.460 -0.124 0.000 1.203 468 Y HN 0.686 nan 8.280 nan 0.000 0.453 469 T N 4.227 118.909 114.554 0.213 0.000 2.733 469 T HA 0.315 4.679 4.350 0.023 0.000 0.294 469 T C -1.035 173.867 174.700 0.337 0.000 0.956 469 T CA -0.456 61.737 62.100 0.155 0.000 0.987 469 T CB -0.481 68.340 68.868 -0.078 0.000 0.920 469 T HN 0.482 nan 8.240 nan 0.000 0.470 470 Y N 2.464 122.939 120.300 0.293 0.000 2.468 470 Y HA 0.832 5.395 4.550 0.023 0.000 0.342 470 Y C -1.605 174.470 175.900 0.291 0.000 1.021 470 Y CA -1.845 56.456 58.100 0.336 0.000 1.079 470 Y CB 0.817 39.511 38.460 0.390 0.000 1.226 470 Y HN 0.322 nan 8.280 nan 0.000 0.460 471 L N 4.617 126.069 121.223 0.382 0.000 2.401 471 L HA 0.570 4.924 4.340 0.023 0.000 0.266 471 L C -0.853 176.209 176.870 0.320 0.000 0.991 471 L CA -0.784 54.218 54.840 0.270 0.000 0.818 471 L CB 2.289 44.512 42.059 0.273 0.000 1.321 471 L HN 0.673 nan 8.230 nan 0.000 0.413 472 I N 3.081 123.804 120.570 0.255 0.000 2.354 472 I HA 0.446 4.630 4.170 0.023 0.000 0.292 472 I C -0.594 175.613 176.117 0.150 0.000 0.989 472 I CA -0.448 60.995 61.300 0.239 0.000 1.188 472 I CB 1.496 39.590 38.000 0.157 0.000 1.342 472 I HN 0.411 nan 8.210 nan 0.000 0.457 473 M N 6.529 126.245 119.600 0.195 0.000 2.149 473 M HA 0.339 4.833 4.480 0.023 0.000 0.342 473 M C -0.689 175.699 176.300 0.147 0.000 1.068 473 M CA -0.092 55.297 55.300 0.148 0.000 0.991 473 M CB 1.104 33.804 32.600 0.166 0.000 1.596 473 M HN 0.573 nan 8.290 nan 0.000 0.439 474 N N 2.650 121.393 118.700 0.071 0.000 2.260 474 N HA 0.243 4.996 4.740 0.023 0.000 0.293 474 N C -0.550 175.012 175.510 0.086 0.000 1.058 474 N CA -0.174 52.915 53.050 0.065 0.000 0.824 474 N CB 1.849 40.286 38.487 -0.082 0.000 1.551 474 N HN 0.639 nan 8.380 nan 0.000 0.475 475 K N 1.741 122.225 120.400 0.141 0.000 2.960 475 K HA -0.240 4.094 4.320 0.023 0.000 0.259 475 K C 0.613 177.310 176.600 0.163 0.000 1.025 475 K CA 1.012 57.415 56.287 0.193 0.000 0.756 475 K CB -1.493 31.140 32.500 0.222 0.000 1.221 475 K HN 1.010 nan 8.250 nan 0.000 0.483 476 G N -0.085 108.789 108.800 0.122 0.000 2.141 476 G HA2 -0.329 3.645 3.960 0.023 0.000 0.242 476 G HA3 -0.329 3.645 3.960 0.023 0.000 0.242 476 G C -0.172 174.741 174.900 0.021 0.000 0.982 476 G CA 0.510 45.653 45.100 0.073 0.000 0.662 476 G HN 0.542 nan 8.290 nan 0.000 0.527 477 R N -1.052 119.465 120.500 0.028 0.000 2.774 477 R HA 0.773 5.127 4.340 0.023 0.000 0.272 477 R C -0.328 175.980 176.300 0.013 0.000 1.000 477 R CA -1.301 54.798 56.100 -0.002 0.000 0.906 477 R CB 0.552 30.830 30.300 -0.038 0.000 1.227 477 R HN 0.132 nan 8.270 nan 0.000 0.468 478 L N 2.713 123.943 121.223 0.011 0.000 2.500 478 L HA 0.094 4.448 4.340 0.023 0.000 0.272 478 L C 0.589 177.449 176.870 -0.015 0.000 1.149 478 L CA -0.189 54.666 54.840 0.024 0.000 0.897 478 L CB 0.619 42.703 42.059 0.041 0.000 1.178 478 L HN 0.649 nan 8.230 nan 0.000 0.473 479 L N 3.930 125.129 121.223 -0.040 0.000 2.253 479 L HA 0.245 4.599 4.340 0.023 0.000 0.205 479 L C 0.503 177.327 176.870 -0.076 0.000 1.078 479 L CA 1.328 56.103 54.840 -0.109 0.000 0.805 479 L CB -0.004 41.895 42.059 -0.267 0.000 0.963 479 L HN 0.533 nan 8.230 nan 0.000 0.459 480 K N -0.608 119.778 120.400 -0.024 0.000 2.551 480 K HA 0.668 5.002 4.320 0.023 0.000 0.269 480 K C -2.022 174.599 176.600 0.035 0.000 0.949 480 K CA -0.338 55.964 56.287 0.024 0.000 0.849 480 K CB 2.097 34.644 32.500 0.078 0.000 1.411 480 K HN -0.027 nan 8.250 nan 0.000 0.432 481 A N 1.365 124.164 122.820 -0.034 0.000 2.459 481 A HA 0.808 5.141 4.320 0.023 0.000 0.296 481 A C -0.899 176.494 177.584 -0.319 0.000 1.039 481 A CA -0.124 51.810 52.037 -0.170 0.000 0.698 481 A CB 1.851 20.825 19.000 -0.043 0.000 1.261 481 A HN 0.818 nan 8.150 nan 0.000 0.405 482 G N 0.938 109.262 108.800 -0.793 0.000 2.749 482 G HA2 0.688 4.661 3.960 0.023 0.000 0.300 482 G HA3 0.688 4.661 3.960 0.023 0.000 0.300 482 G C -1.647 172.986 174.900 -0.446 0.000 1.352 482 G CA -0.713 44.049 45.100 -0.563 0.000 0.789 482 G HN 0.600 nan 8.290 nan 0.000 0.509 483 R N -0.012 120.478 120.500 -0.016 0.000 2.621 483 R HA 0.530 4.883 4.340 0.023 0.000 0.292 483 R C -1.311 175.136 176.300 0.243 0.000 0.969 483 R CA -0.861 55.303 56.100 0.106 0.000 0.887 483 R CB 1.957 32.236 30.300 -0.035 0.000 1.180 483 R HN 0.535 nan 8.270 nan 0.000 0.450 484 Q N 2.335 122.265 119.800 0.216 0.000 2.425 484 Q HA 0.268 4.622 4.340 0.023 0.000 0.254 484 Q C -0.883 175.155 176.000 0.064 0.000 1.032 484 Q CA -0.513 55.321 55.803 0.053 0.000 0.798 484 Q CB 1.303 29.856 28.738 -0.309 0.000 1.210 484 Q HN 0.391 nan 8.270 nan 0.000 0.491 485 V N 4.309 124.257 119.914 0.057 0.000 2.872 485 V HA 0.242 4.376 4.120 0.023 0.000 0.307 485 V C 0.419 176.534 176.094 0.034 0.000 1.072 485 V CA 0.191 62.525 62.300 0.057 0.000 1.148 485 V CB 0.819 32.666 31.823 0.041 0.000 0.954 485 V HN 0.723 nan 8.190 nan 0.000 0.490 486 R N 2.421 122.920 120.500 -0.003 0.000 2.604 486 R HA 0.379 4.733 4.340 0.023 0.000 0.281 486 R C -1.281 175.000 176.300 -0.032 0.000 1.020 486 R CA -0.693 55.400 56.100 -0.013 0.000 0.899 486 R CB 1.995 32.249 30.300 -0.076 0.000 1.205 486 R HN 0.737 nan 8.270 nan 0.000 0.450 487 E N 3.797 123.992 120.200 -0.009 0.000 2.231 487 E HA 0.343 4.706 4.350 0.023 0.000 0.277 487 E C -2.391 174.195 176.600 -0.023 0.000 0.999 487 E CA -2.370 54.021 56.400 -0.014 0.000 0.827 487 E CB 1.472 31.172 29.700 -0.000 0.000 1.101 487 E HN 0.387 nan 8.360 nan 0.000 0.393 488 P HA 0.025 nan 4.420 nan 0.000 0.261 488 P C 0.714 178.003 177.300 -0.018 0.000 1.183 488 P CA 0.991 64.070 63.100 -0.034 0.000 0.761 488 P CB 0.347 32.028 31.700 -0.032 0.000 0.785 489 G N 2.287 111.079 108.800 -0.015 0.000 2.232 489 G HA2 -0.222 3.752 3.960 0.023 0.000 0.226 489 G HA3 -0.222 3.752 3.960 0.023 0.000 0.226 489 G C 0.071 174.978 174.900 0.010 0.000 0.996 489 G CA -0.483 44.616 45.100 -0.002 0.000 0.626 489 G HN 0.555 nan 8.290 nan 0.000 0.509 490 Q N 0.873 120.682 119.800 0.015 0.000 2.296 490 Q HA 0.368 4.722 4.340 0.023 0.000 0.263 490 Q C 0.408 176.439 176.000 0.051 0.000 1.026 490 Q CA -0.255 55.568 55.803 0.033 0.000 0.912 490 Q CB 0.849 29.612 28.738 0.041 0.000 1.198 490 Q HN 0.279 nan 8.270 nan 0.000 0.407 491 D N 1.365 121.794 120.400 0.050 0.000 2.183 491 D HA -0.013 4.640 4.640 0.023 0.000 0.203 491 D C -0.201 176.145 176.300 0.076 0.000 0.969 491 D CA 0.920 54.956 54.000 0.060 0.000 0.842 491 D CB 0.342 41.171 40.800 0.048 0.000 0.957 491 D HN 0.244 nan 8.370 nan 0.000 0.484 492 L N 0.265 121.530 121.223 0.070 0.000 2.408 492 L HA 0.467 4.821 4.340 0.023 0.000 0.268 492 L C -1.306 175.613 176.870 0.083 0.000 0.986 492 L CA -0.969 53.916 54.840 0.075 0.000 0.820 492 L CB 2.203 44.295 42.059 0.054 0.000 1.303 492 L HN -0.124 nan 8.230 nan 0.000 0.411 493 V N 2.230 122.207 119.914 0.107 0.000 2.841 493 V HA 0.788 4.921 4.120 0.023 0.000 0.310 493 V C -0.998 175.179 176.094 0.138 0.000 1.090 493 V CA -0.757 61.600 62.300 0.095 0.000 0.930 493 V CB 1.679 33.550 31.823 0.079 0.000 1.014 493 V HN 0.471 nan 8.190 nan 0.000 0.425 494 V N 4.772 124.741 119.914 0.091 0.000 2.483 494 V HA 0.563 4.696 4.120 0.023 0.000 0.295 494 V C -0.343 175.798 176.094 0.078 0.000 1.035 494 V CA -0.474 61.883 62.300 0.095 0.000 0.896 494 V CB 1.532 33.380 31.823 0.043 0.000 0.986 494 V HN 0.905 nan 8.190 nan 0.000 0.447 495 L N 8.112 129.400 121.223 0.107 0.000 2.294 495 L HA 0.636 4.990 4.340 0.023 0.000 0.283 495 L C -2.564 174.299 176.870 -0.011 0.000 1.015 495 L CA -1.819 53.045 54.840 0.039 0.000 0.831 495 L CB 1.629 43.725 42.059 0.062 0.000 1.217 495 L HN 0.374 nan 8.230 nan 0.000 0.420 496 P HA 0.152 nan 4.420 nan 0.000 0.268 496 P C -1.010 176.262 177.300 -0.047 0.000 1.485 496 P CA -0.131 62.950 63.100 -0.031 0.000 1.102 496 P CB 0.336 32.026 31.700 -0.017 0.000 1.501 497 L N 3.295 124.472 121.223 -0.076 0.000 2.264 497 L HA 0.322 4.676 4.340 0.023 0.000 0.289 497 L C 0.029 176.797 176.870 -0.169 0.000 1.044 497 L CA 0.113 54.892 54.840 -0.102 0.000 0.807 497 L CB 0.694 42.687 42.059 -0.110 0.000 1.192 497 L HN 0.078 nan 8.230 nan 0.000 0.425 498 S N 6.266 121.878 115.700 -0.148 0.000 2.499 498 S HA 0.473 4.957 4.470 0.023 0.000 0.275 498 S C -0.085 174.254 174.600 -0.434 0.000 1.257 498 S CA -0.455 57.628 58.200 -0.195 0.000 1.050 498 S CB 0.349 63.499 63.200 -0.082 0.000 0.937 498 S HN 0.370 nan 8.310 nan 0.000 0.490 499 I N 4.593 124.848 120.570 -0.526 0.000 2.304 499 I HA 0.270 4.453 4.170 0.023 0.000 0.291 499 I C 1.057 176.947 176.117 -0.378 0.000 1.018 499 I CA -0.265 60.507 61.300 -0.881 0.000 1.260 499 I CB 0.280 37.878 38.000 -0.670 0.000 1.390 499 I HN 0.634 nan 8.210 nan 0.000 0.475 500 T N 0.682 115.166 114.554 -0.117 0.000 2.919 500 T HA 0.298 4.662 4.350 0.023 0.000 0.282 500 T C 1.372 176.175 174.700 0.172 0.000 1.020 500 T CA -0.038 62.120 62.100 0.097 0.000 0.994 500 T CB 1.329 70.292 68.868 0.157 0.000 1.180 500 T HN 0.642 nan 8.240 nan 0.000 0.566 501 T N -1.641 112.975 114.554 0.104 0.000 2.946 501 T HA -0.113 4.251 4.350 0.023 0.000 0.271 501 T C 1.073 175.830 174.700 0.096 0.000 1.104 501 T CA 1.318 63.468 62.100 0.084 0.000 1.114 501 T CB -0.777 68.135 68.868 0.074 0.000 0.867 501 T HN 0.585 nan 8.240 nan 0.000 0.513 502 D N 0.697 121.162 120.400 0.108 0.000 2.264 502 D HA 0.030 4.684 4.640 0.023 0.000 0.208 502 D C 1.307 177.546 176.300 -0.102 0.000 0.966 502 D CA 0.623 54.620 54.000 -0.006 0.000 0.864 502 D CB -0.454 40.288 40.800 -0.097 0.000 0.933 502 D HN 0.529 nan 8.370 nan 0.000 0.499 503 F N 0.675 120.552 119.950 -0.121 0.000 2.558 503 F HA 0.123 4.664 4.527 0.023 0.000 0.298 503 F C 1.227 176.969 175.800 -0.097 0.000 1.119 503 F CA -0.127 57.780 58.000 -0.155 0.000 1.451 503 F CB -0.061 38.758 39.000 -0.302 0.000 1.091 503 F HN -0.197 nan 8.300 nan 0.000 0.563 504 I N 2.627 123.185 120.570 -0.020 0.000 2.710 504 I HA -0.057 4.127 4.170 0.023 0.000 0.286 504 I C -1.525 174.356 176.117 -0.394 0.000 1.181 504 I CA -1.095 60.023 61.300 -0.302 0.000 1.430 504 I CB 0.349 38.075 38.000 -0.456 0.000 1.367 504 I HN -0.124 nan 8.210 nan 0.000 0.577 505 P HA 0.058 nan 4.420 nan 0.000 0.252 505 P C -0.384 176.802 177.300 -0.190 0.000 1.218 505 P CA 0.297 63.088 63.100 -0.515 0.000 0.807 505 P CB 0.460 31.847 31.700 -0.522 0.000 1.072 506 S N -0.819 114.852 115.700 -0.049 0.000 2.636 506 S HA 0.738 5.221 4.470 0.023 0.000 0.266 506 S C -1.446 173.227 174.600 0.122 0.000 1.147 506 S CA -0.872 57.287 58.200 -0.069 0.000 0.815 506 S CB 1.085 64.221 63.200 -0.108 0.000 1.119 506 S HN 0.052 nan 8.310 nan 0.000 0.470 507 F N -1.539 118.277 119.950 -0.223 0.000 2.719 507 F HA 0.806 5.346 4.527 0.023 0.000 0.309 507 F C -1.242 174.503 175.800 -0.092 0.000 1.138 507 F CA -1.133 56.823 58.000 -0.074 0.000 0.943 507 F CB 1.200 40.207 39.000 0.012 0.000 1.304 507 F HN 0.748 nan 8.300 nan 0.000 0.445 508 R N 1.660 122.238 120.500 0.131 0.000 2.514 508 R HA 0.715 5.069 4.340 0.023 0.000 0.301 508 R C -1.833 174.596 176.300 0.214 0.000 0.962 508 R CA -1.201 54.948 56.100 0.082 0.000 0.882 508 R CB 2.227 32.631 30.300 0.174 0.000 1.143 508 R HN 0.740 nan 8.270 nan 0.000 0.452 509 L N 3.951 125.251 121.223 0.128 0.000 2.316 509 L HA 0.372 4.725 4.340 0.023 0.000 0.280 509 L C -1.105 175.835 176.870 0.117 0.000 1.006 509 L CA -0.558 54.404 54.840 0.202 0.000 0.836 509 L CB 1.709 43.881 42.059 0.188 0.000 1.221 509 L HN 0.383 nan 8.230 nan 0.000 0.418 510 V N 5.658 125.676 119.914 0.173 0.000 2.417 510 V HA 0.958 5.092 4.120 0.023 0.000 0.291 510 V C -0.284 175.945 176.094 0.224 0.000 1.024 510 V CA 0.231 62.593 62.300 0.103 0.000 0.861 510 V CB 1.188 33.034 31.823 0.038 0.000 0.985 510 V HN 0.995 nan 8.190 nan 0.000 0.436 511 A N 6.347 129.281 122.820 0.191 0.000 2.423 511 A HA 1.028 5.362 4.320 0.023 0.000 0.304 511 A C -1.222 176.584 177.584 0.369 0.000 1.104 511 A CA -0.481 51.787 52.037 0.384 0.000 0.757 511 A CB 1.771 21.084 19.000 0.521 0.000 1.313 511 A HN 1.917 nan 8.150 nan 0.000 0.423 512 Y N -1.202 119.281 120.300 0.304 0.000 2.656 512 Y HA 0.719 5.282 4.550 0.023 0.000 0.334 512 Y C -1.399 174.675 175.900 0.291 0.000 1.179 512 Y CA -1.459 56.752 58.100 0.184 0.000 1.050 512 Y CB 0.800 39.305 38.460 0.074 0.000 1.308 512 Y HN 1.151 nan 8.280 nan 0.000 0.456 513 Y N -0.781 119.566 120.300 0.078 0.000 2.609 513 Y HA 0.869 5.433 4.550 0.023 0.000 0.342 513 Y C -1.086 174.759 175.900 -0.092 0.000 1.058 513 Y CA -1.034 56.955 58.100 -0.186 0.000 1.055 513 Y CB 1.890 40.218 38.460 -0.219 0.000 1.292 513 Y HN 0.941 nan 8.280 nan 0.000 0.476 514 T N 3.029 117.532 114.554 -0.085 0.000 2.903 514 T HA 0.808 5.172 4.350 0.023 0.000 0.299 514 T C -1.454 173.188 174.700 -0.096 0.000 1.093 514 T CA -0.469 61.555 62.100 -0.126 0.000 1.002 514 T CB 1.124 69.873 68.868 -0.198 0.000 1.127 514 T HN 1.218 nan 8.240 nan 0.000 0.488 515 L N 0.918 122.093 121.223 -0.079 0.000 2.933 515 L HA 0.736 5.090 4.340 0.023 0.000 0.271 515 L C -1.893 174.931 176.870 -0.076 0.000 1.071 515 L CA -1.316 53.485 54.840 -0.066 0.000 0.938 515 L CB 1.744 43.788 42.059 -0.026 0.000 1.534 515 L HN 0.583 nan 8.230 nan 0.000 0.396 516 I N 1.358 121.893 120.570 -0.058 0.000 2.428 516 I HA 0.665 4.848 4.170 0.023 0.000 0.279 516 I C 0.260 176.333 176.117 -0.072 0.000 1.040 516 I CA -0.219 61.044 61.300 -0.061 0.000 1.171 516 I CB 1.073 39.054 38.000 -0.032 0.000 1.312 516 I HN 0.805 nan 8.210 nan 0.000 0.470 517 G N 3.144 111.828 108.800 -0.193 0.000 2.788 517 G HA2 0.774 4.748 3.960 0.023 0.000 0.293 517 G HA3 0.774 4.748 3.960 0.023 0.000 0.293 517 G C 0.067 174.796 174.900 -0.286 0.000 1.305 517 G CA 0.070 44.894 45.100 -0.460 0.000 1.005 517 G HN 0.796 nan 8.290 nan 0.000 0.496 518 A N -0.236 122.421 122.820 -0.272 0.000 5.382 518 A HA -0.221 4.113 4.320 0.023 0.000 0.307 518 A C 1.751 179.330 177.584 -0.008 0.000 1.937 518 A CA 1.711 53.710 52.037 -0.063 0.000 0.715 518 A CB -1.771 17.172 19.000 -0.095 0.000 1.293 518 A HN 2.223 nan 8.150 nan 0.000 0.374 519 S N 1.426 117.112 115.700 -0.023 0.000 3.811 519 S HA 0.424 4.907 4.470 0.023 0.000 0.205 519 S C 1.367 175.957 174.600 -0.017 0.000 1.445 519 S CA 1.233 59.427 58.200 -0.010 0.000 1.097 519 S CB -1.848 61.345 63.200 -0.011 0.000 1.350 519 S HN 2.626 nan 8.310 nan 0.000 0.471 520 G N 2.547 111.339 108.800 -0.014 0.000 2.321 520 G HA2 -0.293 3.681 3.960 0.023 0.000 0.287 520 G HA3 -0.293 3.681 3.960 0.023 0.000 0.287 520 G C -0.106 174.774 174.900 -0.033 0.000 1.018 520 G CA 0.774 45.864 45.100 -0.017 0.000 0.855 520 G HN 0.839 nan 8.290 nan 0.000 0.507 521 Q N -0.928 118.840 119.800 -0.052 0.000 2.256 521 Q HA 0.652 5.005 4.340 0.023 0.000 0.254 521 Q C 0.312 176.266 176.000 -0.077 0.000 0.916 521 Q CA -1.151 54.617 55.803 -0.060 0.000 0.932 521 Q CB 1.279 29.977 28.738 -0.066 0.000 1.207 521 Q HN 0.210 nan 8.270 nan 0.000 0.426 522 R N 2.198 122.658 120.500 -0.067 0.000 2.370 522 R HA 0.083 4.437 4.340 0.023 0.000 0.309 522 R C -1.052 175.176 176.300 -0.119 0.000 1.059 522 R CA 0.326 56.379 56.100 -0.079 0.000 0.981 522 R CB 0.537 30.804 30.300 -0.055 0.000 0.972 522 R HN 0.853 nan 8.270 nan 0.000 0.437 523 E N 3.058 123.168 120.200 -0.150 0.000 2.222 523 E HA 0.450 4.814 4.350 0.023 0.000 0.267 523 E C -1.465 174.962 176.600 -0.288 0.000 0.884 523 E CA -1.018 55.251 56.400 -0.218 0.000 0.764 523 E CB 1.631 31.221 29.700 -0.182 0.000 1.169 523 E HN 0.384 nan 8.360 nan 0.000 0.413 524 V N 4.547 124.171 119.914 -0.484 0.000 2.407 524 V HA 0.340 4.474 4.120 0.023 0.000 0.291 524 V C -0.643 175.146 176.094 -0.509 0.000 1.018 524 V CA -0.763 61.209 62.300 -0.547 0.000 0.842 524 V CB 1.648 32.992 31.823 -0.798 0.000 0.996 524 V HN 0.495 nan 8.190 nan 0.000 0.426 525 V N 4.171 123.789 119.914 -0.493 0.000 2.417 525 V HA 0.916 5.050 4.120 0.023 0.000 0.291 525 V C 0.260 176.197 176.094 -0.261 0.000 1.024 525 V CA -0.286 61.768 62.300 -0.409 0.000 0.861 525 V CB 1.537 32.909 31.823 -0.752 0.000 0.985 525 V HN 1.005 nan 8.190 nan 0.000 0.436 526 A N 3.568 126.352 122.820 -0.060 0.000 2.469 526 A HA 0.931 5.265 4.320 0.023 0.000 0.299 526 A C -1.363 176.125 177.584 -0.161 0.000 1.098 526 A CA -0.476 51.509 52.037 -0.086 0.000 0.737 526 A CB 2.182 21.014 19.000 -0.281 0.000 1.312 526 A HN 0.741 nan 8.150 nan 0.000 0.414 527 D N -0.927 119.386 120.400 -0.145 0.000 2.609 527 D HA 0.679 5.333 4.640 0.023 0.000 0.239 527 D C -0.934 175.288 176.300 -0.130 0.000 1.229 527 D CA 0.504 54.416 54.000 -0.146 0.000 0.808 527 D CB 2.138 42.858 40.800 -0.133 0.000 1.448 527 D HN 0.942 nan 8.370 nan 0.000 0.433 528 S N 0.084 115.722 115.700 -0.104 0.000 2.556 528 S HA 0.749 5.233 4.470 0.023 0.000 0.271 528 S C -1.655 172.910 174.600 -0.057 0.000 1.135 528 S CA -0.772 57.386 58.200 -0.071 0.000 0.858 528 S CB 1.596 64.770 63.200 -0.044 0.000 1.114 528 S HN 0.566 nan 8.310 nan 0.000 0.468 529 V N 2.212 122.091 119.914 -0.059 0.000 2.841 529 V HA 0.774 4.908 4.120 0.023 0.000 0.310 529 V C -1.958 174.120 176.094 -0.027 0.000 1.090 529 V CA -0.735 61.529 62.300 -0.060 0.000 0.930 529 V CB 1.988 33.714 31.823 -0.162 0.000 1.014 529 V HN 1.072 nan 8.190 nan 0.000 0.425 530 W N 6.401 127.593 121.300 -0.181 0.000 2.349 530 W HA 0.718 5.391 4.660 0.022 0.000 0.309 530 W C -1.162 175.161 176.519 -0.326 0.000 1.083 530 W CA -0.441 56.766 57.345 -0.229 0.000 1.224 530 W CB 1.491 30.864 29.460 -0.146 0.000 1.256 530 W HN 0.496 nan 8.180 nan 0.000 0.461 531 V N 6.756 125.923 119.914 -1.245 0.000 2.459 531 V HA 0.189 4.323 4.120 0.023 0.000 0.295 531 V C -0.314 174.840 176.094 -1.567 0.000 1.029 531 V CA -0.735 60.796 62.300 -1.282 0.000 0.874 531 V CB 1.393 32.447 31.823 -1.281 0.000 0.985 531 V HN 0.459 nan 8.190 nan 0.000 0.438 532 D N 3.034 122.704 120.400 -1.218 0.000 2.210 532 D HA 0.552 5.206 4.640 0.023 0.000 0.249 532 D C -0.743 175.320 176.300 -0.395 0.000 1.062 532 D CA 0.015 53.481 54.000 -0.889 0.000 0.891 532 D CB 1.986 42.444 40.800 -0.569 0.000 1.186 532 D HN 0.272 nan 8.370 nan 0.000 0.432 533 V N 3.166 122.931 119.914 -0.249 0.000 2.680 533 V HA 0.252 4.386 4.120 0.023 0.000 0.309 533 V C 0.049 176.055 176.094 -0.146 0.000 1.052 533 V CA -1.131 61.088 62.300 -0.135 0.000 0.908 533 V CB 1.837 33.632 31.823 -0.046 0.000 1.001 533 V HN 0.484 nan 8.190 nan 0.000 0.431 534 K N 2.851 123.183 120.400 -0.114 0.000 2.473 534 K HA -0.019 4.315 4.320 0.023 0.000 0.277 534 K C -0.302 176.211 176.600 -0.146 0.000 1.052 534 K CA 0.444 56.671 56.287 -0.099 0.000 1.114 534 K CB -0.151 32.307 32.500 -0.069 0.000 0.869 534 K HN 0.595 nan 8.250 nan 0.000 0.481 535 D N 2.237 122.552 120.400 -0.141 0.000 2.351 535 D HA 0.258 4.912 4.640 0.023 0.000 0.251 535 D C -0.423 175.846 176.300 -0.052 0.000 1.137 535 D CA 0.370 54.245 54.000 -0.209 0.000 0.879 535 D CB 0.817 41.556 40.800 -0.102 0.000 1.181 535 D HN 0.632 nan 8.370 nan 0.000 0.448 536 S N 0.299 116.005 115.700 0.010 0.000 2.656 536 S HA 0.267 4.751 4.470 0.023 0.000 0.265 536 S C -0.813 173.998 174.600 0.351 0.000 1.110 536 S CA -1.047 57.256 58.200 0.171 0.000 0.821 536 S CB 0.073 63.310 63.200 0.061 0.000 1.099 536 S HN 0.460 nan 8.310 nan 0.000 0.471 537 C N 1.752 121.196 119.300 0.241 0.000 2.644 537 C HA 0.361 4.835 4.460 0.023 0.000 0.417 537 C C 2.418 177.519 174.990 0.185 0.000 1.304 537 C CA -0.307 58.839 59.018 0.214 0.000 2.035 537 C CB 0.045 27.831 27.740 0.078 0.000 2.673 537 C HN 0.687 nan 8.230 nan 0.000 0.602 538 V N 3.292 123.333 119.914 0.211 0.000 2.332 538 V HA -0.078 4.056 4.120 0.023 0.000 0.248 538 V C 1.835 177.983 176.094 0.090 0.000 1.055 538 V CA 2.515 64.904 62.300 0.149 0.000 1.038 538 V CB -1.227 30.688 31.823 0.154 0.000 0.651 538 V HN 1.121 nan 8.190 nan 0.000 0.450 539 G N -0.810 108.033 108.800 0.073 0.000 3.365 539 G HA2 0.511 4.485 3.960 0.023 0.000 0.185 539 G HA3 0.511 4.485 3.960 0.023 0.000 0.185 539 G C -0.229 174.696 174.900 0.042 0.000 1.565 539 G CA 0.570 45.701 45.100 0.050 0.000 0.984 539 G HN 0.749 nan 8.290 nan 0.000 0.604 540 S N -1.748 113.970 115.700 0.030 0.000 2.556 540 S HA 0.562 5.046 4.470 0.023 0.000 0.280 540 S C -1.808 172.800 174.600 0.014 0.000 1.141 540 S CA -0.637 57.577 58.200 0.023 0.000 0.883 540 S CB 1.768 64.982 63.200 0.023 0.000 1.103 540 S HN 1.141 nan 8.310 nan 0.000 0.453 541 L N 2.080 123.306 121.223 0.006 0.000 2.470 541 L HA 0.874 5.228 4.340 0.023 0.000 0.268 541 L C -1.751 175.120 176.870 0.002 0.000 0.964 541 L CA -0.294 54.547 54.840 0.001 0.000 0.839 541 L CB 1.872 43.923 42.059 -0.013 0.000 1.276 541 L HN 0.813 nan 8.230 nan 0.000 0.403 542 V N 4.964 124.882 119.914 0.007 0.000 2.841 542 V HA 0.663 4.797 4.120 0.023 0.000 0.310 542 V C -0.947 175.153 176.094 0.010 0.000 1.090 542 V CA -0.736 61.569 62.300 0.008 0.000 0.930 542 V CB 2.384 34.212 31.823 0.009 0.000 1.014 542 V HN 0.451 nan 8.190 nan 0.000 0.425 543 V N 5.015 124.936 119.914 0.011 0.000 2.444 543 V HA 0.645 4.779 4.120 0.023 0.000 0.294 543 V C -0.187 175.917 176.094 0.015 0.000 1.022 543 V CA -0.630 61.679 62.300 0.015 0.000 0.850 543 V CB 1.471 33.304 31.823 0.018 0.000 0.992 543 V HN 1.042 nan 8.190 nan 0.000 0.426 544 K N 2.033 122.442 120.400 0.016 0.000 2.430 544 K HA 0.733 5.067 4.320 0.023 0.000 0.268 544 K C -0.667 175.943 176.600 0.017 0.000 1.043 544 K CA -0.830 55.467 56.287 0.016 0.000 0.899 544 K CB 1.702 34.210 32.500 0.014 0.000 1.472 544 K HN 0.329 nan 8.250 nan 0.000 0.451 545 S N -0.423 115.287 115.700 0.017 0.000 2.564 545 S HA 0.255 4.739 4.470 0.023 0.000 0.278 545 S C 0.773 175.382 174.600 0.015 0.000 1.333 545 S CA -0.217 57.993 58.200 0.017 0.000 1.048 545 S CB 1.070 64.281 63.200 0.017 0.000 0.900 545 S HN 0.785 nan 8.310 nan 0.000 0.505 546 G N 1.008 109.816 108.800 0.014 0.000 3.324 546 G HA2 0.234 4.208 3.960 0.023 0.000 0.251 546 G HA3 0.234 4.208 3.960 0.023 0.000 0.251 546 G C 0.117 175.024 174.900 0.012 0.000 1.072 546 G CA -0.377 44.731 45.100 0.013 0.000 0.787 546 G HN 0.691 nan 8.290 nan 0.000 0.537 547 Q N -0.295 119.512 119.800 0.012 0.000 2.496 547 Q HA 0.602 4.956 4.340 0.023 0.000 0.286 547 Q C -0.313 175.694 176.000 0.011 0.000 1.103 547 Q CA -0.808 55.001 55.803 0.011 0.000 0.813 547 Q CB 1.082 29.826 28.738 0.010 0.000 1.444 547 Q HN 0.083 nan 8.270 nan 0.000 0.443 548 S N -0.692 115.014 115.700 0.009 0.000 2.558 548 S HA -0.099 4.385 4.470 0.023 0.000 0.291 548 S C 0.675 175.282 174.600 0.011 0.000 1.306 548 S CA 0.290 58.496 58.200 0.009 0.000 1.056 548 S CB 0.851 64.055 63.200 0.008 0.000 0.836 548 S HN 0.885 nan 8.310 nan 0.000 0.504 549 E N 1.150 121.357 120.200 0.011 0.000 2.208 549 E HA -0.157 4.206 4.350 0.023 0.000 0.193 549 E C 0.672 177.280 176.600 0.013 0.000 0.988 549 E CA 1.052 57.460 56.400 0.013 0.000 0.828 549 E CB -0.104 29.605 29.700 0.013 0.000 0.763 549 E HN 0.771 nan 8.360 nan 0.000 0.478 550 D N 0.566 120.973 120.400 0.011 0.000 2.178 550 D HA -0.160 4.493 4.640 0.023 0.000 0.201 550 D C 0.866 177.173 176.300 0.011 0.000 0.980 550 D CA 0.771 54.777 54.000 0.011 0.000 0.842 550 D CB -0.258 40.547 40.800 0.008 0.000 0.948 550 D HN 0.083 nan 8.370 nan 0.000 0.472 551 R N 1.348 121.854 120.500 0.010 0.000 2.370 551 R HA 0.046 4.399 4.340 0.023 0.000 0.309 551 R C -0.084 176.223 176.300 0.012 0.000 1.059 551 R CA -0.067 56.038 56.100 0.009 0.000 0.981 551 R CB 0.329 30.634 30.300 0.008 0.000 0.972 551 R HN -0.016 nan 8.270 nan 0.000 0.437 552 Q N 6.025 125.831 119.800 0.010 0.000 2.290 552 Q HA 0.390 4.743 4.340 0.023 0.000 0.259 552 Q C -2.257 173.749 176.000 0.009 0.000 0.941 552 Q CA -2.173 53.638 55.803 0.013 0.000 0.912 552 Q CB 1.520 30.266 28.738 0.013 0.000 1.244 552 Q HN 0.424 nan 8.270 nan 0.000 0.441 553 P HA -0.041 nan 4.420 nan 0.000 0.262 553 P C -1.342 175.959 177.300 0.002 0.000 1.182 553 P CA 0.045 63.151 63.100 0.011 0.000 0.761 553 P CB 0.634 32.346 31.700 0.019 0.000 0.795 554 V N 6.165 126.077 119.914 -0.003 0.000 2.628 554 V HA 0.345 4.479 4.120 0.023 0.000 0.306 554 V C -2.174 173.913 176.094 -0.012 0.000 1.045 554 V CA -2.190 60.102 62.300 -0.013 0.000 0.905 554 V CB 1.728 33.542 31.823 -0.015 0.000 0.997 554 V HN 0.465 nan 8.190 nan 0.000 0.436 555 P HA 0.181 nan 4.420 nan 0.000 0.261 555 P C 0.904 178.197 177.300 -0.011 0.000 1.183 555 P CA 1.508 64.600 63.100 -0.014 0.000 0.761 555 P CB 0.299 31.985 31.700 -0.024 0.000 0.785 556 G N 1.581 110.377 108.800 -0.006 0.000 2.179 556 G HA2 -0.273 3.701 3.960 0.023 0.000 0.260 556 G HA3 -0.273 3.701 3.960 0.023 0.000 0.260 556 G C 0.186 175.084 174.900 -0.004 0.000 0.977 556 G CA -0.089 45.008 45.100 -0.005 0.000 0.641 556 G HN 0.657 nan 8.290 nan 0.000 0.533 557 Q N 0.124 119.922 119.800 -0.003 0.000 2.260 557 Q HA 0.498 4.852 4.340 0.023 0.000 0.242 557 Q C 0.372 176.373 176.000 0.002 0.000 0.932 557 Q CA -0.543 55.259 55.803 -0.001 0.000 0.891 557 Q CB 0.590 29.327 28.738 -0.002 0.000 1.222 557 Q HN 0.450 nan 8.270 nan 0.000 0.453 558 Q N 2.662 122.463 119.800 0.002 0.000 2.327 558 Q HA 0.312 4.665 4.340 0.023 0.000 0.254 558 Q C -1.175 174.829 176.000 0.007 0.000 0.952 558 Q CA 0.107 55.912 55.803 0.004 0.000 0.884 558 Q CB 0.862 29.602 28.738 0.004 0.000 1.224 558 Q HN 0.689 nan 8.270 nan 0.000 0.422 559 M N 2.083 121.689 119.600 0.009 0.000 2.501 559 M HA 0.413 4.907 4.480 0.023 0.000 0.293 559 M C -1.481 174.826 176.300 0.012 0.000 1.192 559 M CA -0.441 54.866 55.300 0.011 0.000 0.886 559 M CB 2.655 35.263 32.600 0.014 0.000 1.710 559 M HN 0.524 nan 8.290 nan 0.000 0.457 560 T N 4.250 118.812 114.554 0.012 0.000 2.770 560 T HA 0.596 4.960 4.350 0.023 0.000 0.283 560 T C -0.974 173.735 174.700 0.015 0.000 0.988 560 T CA -0.516 61.592 62.100 0.013 0.000 0.957 560 T CB 0.838 69.713 68.868 0.011 0.000 0.930 560 T HN 0.365 nan 8.240 nan 0.000 0.443 561 L N 3.246 124.479 121.223 0.016 0.000 2.317 561 L HA 0.501 4.855 4.340 0.023 0.000 0.281 561 L C 0.310 177.190 176.870 0.017 0.000 1.024 561 L CA -0.423 54.428 54.840 0.017 0.000 0.810 561 L CB 1.396 43.467 42.059 0.019 0.000 1.240 561 L HN 0.477 nan 8.230 nan 0.000 0.427 562 K N 4.423 124.833 120.400 0.017 0.000 2.281 562 K HA 0.503 4.837 4.320 0.023 0.000 0.272 562 K C -1.053 175.557 176.600 0.017 0.000 1.048 562 K CA -0.301 55.996 56.287 0.016 0.000 0.898 562 K CB 0.454 32.963 32.500 0.015 0.000 1.128 562 K HN 0.546 nan 8.250 nan 0.000 0.460 563 I N 5.618 126.199 120.570 0.018 0.000 2.307 563 I HA 0.120 4.304 4.170 0.023 0.000 0.289 563 I C -0.242 175.888 176.117 0.021 0.000 1.021 563 I CA -0.563 60.748 61.300 0.019 0.000 1.224 563 I CB 1.228 39.240 38.000 0.019 0.000 1.376 563 I HN 0.583 nan 8.210 nan 0.000 0.470 564 E N 5.781 125.993 120.200 0.020 0.000 2.155 564 E HA 0.762 5.125 4.350 0.023 0.000 0.264 564 E C -0.262 176.352 176.600 0.023 0.000 0.886 564 E CA -0.789 55.625 56.400 0.023 0.000 0.752 564 E CB 2.266 31.978 29.700 0.020 0.000 1.133 564 E HN 0.668 nan 8.360 nan 0.000 0.414 565 G N 2.212 111.030 108.800 0.030 0.000 2.731 565 G HA2 0.190 4.164 3.960 0.023 0.000 0.309 565 G HA3 0.190 4.164 3.960 0.023 0.000 0.309 565 G C -1.220 173.707 174.900 0.044 0.000 1.273 565 G CA -0.824 44.294 45.100 0.029 0.000 0.798 565 G HN 0.453 nan 8.290 nan 0.000 0.509 566 D N 0.377 120.801 120.400 0.041 0.000 2.414 566 D HA 0.239 4.893 4.640 0.023 0.000 0.242 566 D C 0.023 176.371 176.300 0.080 0.000 1.129 566 D CA 0.416 54.452 54.000 0.061 0.000 0.885 566 D CB 1.118 41.944 40.800 0.045 0.000 1.198 566 D HN 0.395 nan 8.370 nan 0.000 0.437 567 H N -0.258 118.821 119.070 0.014 0.000 2.803 567 H HA 0.332 4.901 4.556 0.023 0.000 0.330 567 H C 1.349 176.686 175.328 0.015 0.000 1.057 567 H CA 1.073 57.130 56.048 0.014 0.000 1.458 567 H CB 0.425 30.195 29.762 0.013 0.000 1.470 567 H HN 0.591 nan 8.280 nan 0.000 0.560 568 G N 2.539 111.005 108.800 -0.556 0.000 2.179 568 G HA2 -0.246 3.728 3.960 0.023 0.000 0.260 568 G HA3 -0.246 3.728 3.960 0.023 0.000 0.260 568 G C 0.366 175.174 174.900 -0.153 0.000 0.977 568 G CA 0.232 45.095 45.100 -0.396 0.000 0.641 568 G HN 0.985 nan 8.290 nan 0.000 0.533 569 A N -0.086 122.679 122.820 -0.091 0.000 2.354 569 A HA 0.727 5.061 4.320 0.023 0.000 0.269 569 A C 0.662 178.233 177.584 -0.022 0.000 1.109 569 A CA 0.443 52.460 52.037 -0.033 0.000 0.800 569 A CB 0.373 19.369 19.000 -0.008 0.000 1.045 569 A HN 0.898 nan 8.150 nan 0.000 0.489 570 R N 2.171 122.671 120.500 0.000 0.000 2.221 570 R HA 0.486 4.840 4.340 0.023 0.000 0.327 570 R C -1.522 174.799 176.300 0.035 0.000 1.033 570 R CA -0.235 55.874 56.100 0.014 0.000 0.887 570 R CB 0.562 30.876 30.300 0.023 0.000 1.057 570 R HN 0.424 nan 8.270 nan 0.000 0.455 571 V N 6.598 126.530 119.914 0.029 0.000 2.347 571 V HA 0.259 4.393 4.120 0.023 0.000 0.280 571 V C -0.058 176.067 176.094 0.051 0.000 1.021 571 V CA -0.785 61.538 62.300 0.039 0.000 0.847 571 V CB 1.334 33.171 31.823 0.025 0.000 0.990 571 V HN 0.644 nan 8.190 nan 0.000 0.444 572 V N 4.606 124.570 119.914 0.084 0.000 2.472 572 V HA 0.741 4.875 4.120 0.023 0.000 0.290 572 V C -0.415 175.727 176.094 0.080 0.000 1.037 572 V CA -0.540 61.812 62.300 0.085 0.000 0.908 572 V CB 1.260 33.160 31.823 0.128 0.000 0.985 572 V HN 0.639 nan 8.190 nan 0.000 0.454 573 L N 4.597 125.856 121.223 0.059 0.000 2.303 573 L HA 0.954 5.308 4.340 0.023 0.000 0.266 573 L C -0.423 176.482 176.870 0.059 0.000 1.011 573 L CA -1.038 53.835 54.840 0.055 0.000 0.818 573 L CB 2.133 44.216 42.059 0.040 0.000 1.326 573 L HN 0.646 nan 8.230 nan 0.000 0.435 574 V N 0.240 120.191 119.914 0.062 0.000 3.023 574 V HA 0.801 4.934 4.120 0.023 0.000 0.294 574 V C -1.643 174.492 176.094 0.069 0.000 1.324 574 V CA -0.227 62.112 62.300 0.066 0.000 0.979 574 V CB 2.156 34.029 31.823 0.084 0.000 1.093 574 V HN 0.870 nan 8.190 nan 0.000 0.434 575 A N 5.390 128.245 122.820 0.058 0.000 2.330 575 A HA 0.903 5.237 4.320 0.023 0.000 0.313 575 A C -1.260 176.351 177.584 0.046 0.000 1.124 575 A CA -0.509 51.564 52.037 0.060 0.000 0.774 575 A CB 1.740 20.767 19.000 0.046 0.000 1.198 575 A HN 1.240 nan 8.150 nan 0.000 0.465 576 V N 2.327 122.279 119.914 0.064 0.000 2.540 576 V HA 0.298 4.431 4.120 0.023 0.000 0.302 576 V C -0.453 175.612 176.094 -0.049 0.000 1.035 576 V CA -0.827 61.453 62.300 -0.032 0.000 0.873 576 V CB 1.896 33.667 31.823 -0.087 0.000 0.992 576 V HN 0.948 nan 8.190 nan 0.000 0.428 577 D N 3.880 124.208 120.400 -0.120 0.000 2.417 577 D HA 0.079 4.733 4.640 0.023 0.000 0.250 577 D C 1.195 177.409 176.300 -0.143 0.000 1.166 577 D CA -0.039 53.916 54.000 -0.074 0.000 0.881 577 D CB 1.158 41.924 40.800 -0.057 0.000 1.164 577 D HN 0.368 nan 8.370 nan 0.000 0.467 578 K N 2.909 123.337 120.400 0.048 0.000 2.218 578 K HA -0.134 4.200 4.320 0.023 0.000 0.205 578 K C 1.791 178.421 176.600 0.050 0.000 1.046 578 K CA 1.041 57.443 56.287 0.191 0.000 0.933 578 K CB -0.457 32.165 32.500 0.204 0.000 0.728 578 K HN 0.638 nan 8.250 nan 0.000 0.454 579 G N 0.945 109.731 108.800 -0.024 0.000 2.450 579 G HA2 -0.215 3.759 3.960 0.023 0.000 0.220 579 G HA3 -0.215 3.759 3.960 0.023 0.000 0.220 579 G C 1.670 176.484 174.900 -0.142 0.000 1.130 579 G CA 0.765 45.833 45.100 -0.053 0.000 0.760 579 G HN 0.151 nan 8.290 nan 0.000 0.557 580 V N 0.445 120.193 119.914 -0.277 0.000 2.343 580 V HA -0.127 4.007 4.120 0.023 0.000 0.247 580 V C 2.466 178.343 176.094 -0.361 0.000 1.051 580 V CA 1.477 63.534 62.300 -0.405 0.000 1.036 580 V CB -0.617 30.861 31.823 -0.574 0.000 0.654 580 V HN 0.333 nan 8.190 nan 0.000 0.451 581 F N -0.306 119.596 119.950 -0.079 0.000 2.365 581 F HA -0.057 4.482 4.527 0.021 0.000 0.300 581 F C 2.222 177.975 175.800 -0.078 0.000 1.090 581 F CA 0.612 58.572 58.000 -0.067 0.000 1.408 581 F CB -1.188 37.789 39.000 -0.038 0.000 1.060 581 F HN -0.030 nan 8.300 nan 0.000 0.534 582 V N -0.509 119.434 119.914 0.049 0.000 2.407 582 V HA -0.240 3.894 4.120 0.023 0.000 0.248 582 V C 2.234 178.285 176.094 -0.071 0.000 1.055 582 V CA 1.260 63.548 62.300 -0.020 0.000 1.049 582 V CB -0.521 31.261 31.823 -0.068 0.000 0.662 582 V HN 0.198 nan 8.190 nan 0.000 0.455 583 L N -0.538 120.607 121.223 -0.130 0.000 2.209 583 L HA 0.252 4.606 4.340 0.023 0.000 0.207 583 L C 0.808 177.598 176.870 -0.133 0.000 1.094 583 L CA 1.130 55.861 54.840 -0.182 0.000 0.790 583 L CB -0.538 41.309 42.059 -0.354 0.000 0.932 583 L HN 0.440 nan 8.230 nan 0.000 0.447 584 N N -0.523 118.124 118.700 -0.088 0.000 2.554 584 N HA 0.117 4.871 4.740 0.023 0.000 0.271 584 N C -0.517 175.049 175.510 0.094 0.000 1.081 584 N CA -0.083 52.956 53.050 -0.019 0.000 0.994 584 N CB 1.226 39.682 38.487 -0.052 0.000 1.641 584 N HN 0.159 nan 8.380 nan 0.000 0.511 585 K N 1.033 121.499 120.400 0.110 0.000 2.501 585 K HA 0.335 4.669 4.320 0.023 0.000 0.204 585 K C -0.221 176.437 176.600 0.096 0.000 1.067 585 K CA -0.396 55.985 56.287 0.157 0.000 1.060 585 K CB 0.713 33.262 32.500 0.082 0.000 0.873 585 K HN 0.175 nan 8.250 nan 0.000 0.540 586 K N 1.651 122.104 120.400 0.088 0.000 2.154 586 K HA 0.186 4.520 4.320 0.023 0.000 0.264 586 K C -0.485 176.178 176.600 0.105 0.000 1.008 586 K CA -0.305 56.029 56.287 0.078 0.000 0.937 586 K CB 0.428 32.968 32.500 0.066 0.000 1.002 586 K HN 0.241 nan 8.250 nan 0.000 0.469 587 N N 0.828 119.586 118.700 0.096 0.000 2.783 587 N HA -0.184 4.569 4.740 0.023 0.000 0.247 587 N C -1.390 174.196 175.510 0.127 0.000 1.089 587 N CA 0.400 53.520 53.050 0.117 0.000 0.690 587 N CB -0.858 37.717 38.487 0.145 0.000 0.991 587 N HN 0.416 nan 8.380 nan 0.000 0.552 588 K N 0.903 121.360 120.400 0.095 0.000 2.211 588 K HA 0.333 4.667 4.320 0.023 0.000 0.275 588 K C -0.178 176.453 176.600 0.052 0.000 1.024 588 K CA -0.856 55.481 56.287 0.085 0.000 0.887 588 K CB 1.148 33.670 32.500 0.037 0.000 1.084 588 K HN 0.071 nan 8.250 nan 0.000 0.463 589 L N 3.920 125.179 121.223 0.060 0.000 2.534 589 L HA 0.072 4.426 4.340 0.023 0.000 0.271 589 L C -0.204 176.639 176.870 -0.044 0.000 1.178 589 L CA 1.052 55.900 54.840 0.013 0.000 0.907 589 L CB 0.087 42.162 42.059 0.028 0.000 1.164 589 L HN 0.780 nan 8.230 nan 0.000 0.482 590 T N 0.813 115.319 114.554 -0.080 0.000 2.903 590 T HA 0.291 4.655 4.350 0.023 0.000 0.299 590 T C 0.427 175.030 174.700 -0.162 0.000 1.093 590 T CA -0.576 61.467 62.100 -0.095 0.000 1.002 590 T CB 1.458 70.297 68.868 -0.048 0.000 1.127 590 T HN 0.498 nan 8.240 nan 0.000 0.488 591 Q N 1.225 120.932 119.800 -0.156 0.000 2.181 591 Q HA -0.071 4.282 4.340 0.023 0.000 0.205 591 Q C 2.278 178.193 176.000 -0.142 0.000 0.980 591 Q CA 2.218 57.889 55.803 -0.220 0.000 0.862 591 Q CB -0.728 27.955 28.738 -0.093 0.000 0.905 591 Q HN 0.778 nan 8.270 nan 0.000 0.429 592 S N -0.728 114.973 115.700 0.001 0.000 2.383 592 S HA -0.090 4.394 4.470 0.023 0.000 0.227 592 S C 1.566 176.201 174.600 0.058 0.000 1.026 592 S CA 1.141 59.404 58.200 0.105 0.000 0.981 592 S CB -0.052 63.199 63.200 0.086 0.000 0.818 592 S HN 0.422 nan 8.310 nan 0.000 0.472 593 K N 0.456 120.842 120.400 -0.023 0.000 2.148 593 K HA 0.064 4.398 4.320 0.023 0.000 0.204 593 K C 1.928 178.491 176.600 -0.061 0.000 1.050 593 K CA 1.141 57.424 56.287 -0.007 0.000 0.942 593 K CB -0.220 32.279 32.500 -0.002 0.000 0.724 593 K HN 0.432 nan 8.250 nan 0.000 0.446 594 I N -0.492 119.897 120.570 -0.302 0.000 2.202 594 I HA -0.252 3.932 4.170 0.023 0.000 0.242 594 I C 1.905 177.824 176.117 -0.330 0.000 1.091 594 I CA 1.466 62.411 61.300 -0.591 0.000 1.368 594 I CB -0.245 37.059 38.000 -1.158 0.000 1.058 594 I HN 0.298 nan 8.210 nan 0.000 0.410 595 W N 1.042 122.280 121.300 -0.103 0.000 2.402 595 W HA -0.210 4.463 4.660 0.022 0.000 0.286 595 W C 2.279 178.808 176.519 0.018 0.000 1.221 595 W CA 0.598 57.921 57.345 -0.037 0.000 1.257 595 W CB -0.309 29.139 29.460 -0.020 0.000 1.120 595 W HN 0.191 nan 8.180 nan 0.000 0.551 596 D N 0.252 120.792 120.400 0.233 0.000 2.092 596 D HA -0.193 4.461 4.640 0.023 0.000 0.193 596 D C 2.007 178.415 176.300 0.181 0.000 0.994 596 D CA 1.753 55.861 54.000 0.180 0.000 0.828 596 D CB -0.365 40.515 40.800 0.134 0.000 0.963 596 D HN -0.072 nan 8.370 nan 0.000 0.450 597 V N 0.003 120.030 119.914 0.189 0.000 2.332 597 V HA -0.236 3.898 4.120 0.023 0.000 0.248 597 V C 2.702 178.928 176.094 0.221 0.000 1.055 597 V CA 1.508 63.950 62.300 0.237 0.000 1.038 597 V CB -0.498 31.538 31.823 0.354 0.000 0.651 597 V HN 0.160 nan 8.190 nan 0.000 0.450 598 V N -0.211 119.779 119.914 0.126 0.000 2.407 598 V HA -0.253 3.881 4.120 0.023 0.000 0.248 598 V C 2.513 178.765 176.094 0.263 0.000 1.055 598 V CA 2.196 64.579 62.300 0.139 0.000 1.049 598 V CB -0.604 31.333 31.823 0.190 0.000 0.662 598 V HN 0.567 nan 8.190 nan 0.000 0.455 599 E N 0.327 120.672 120.200 0.242 0.000 2.150 599 E HA -0.150 4.213 4.350 0.023 0.000 0.193 599 E C 2.216 178.917 176.600 0.168 0.000 0.985 599 E CA 0.990 57.515 56.400 0.208 0.000 0.814 599 E CB -0.105 29.706 29.700 0.184 0.000 0.752 599 E HN 0.416 nan 8.360 nan 0.000 0.466 600 K N -0.046 120.455 120.400 0.168 0.000 2.057 600 K HA -0.060 4.274 4.320 0.023 0.000 0.207 600 K C 2.030 178.721 176.600 0.151 0.000 1.049 600 K CA 1.195 57.564 56.287 0.137 0.000 0.931 600 K CB -0.367 32.216 32.500 0.138 0.000 0.714 600 K HN 0.186 nan 8.250 nan 0.000 0.440 601 A N 1.872 124.827 122.820 0.226 0.000 2.119 601 A HA -0.109 4.224 4.320 0.023 0.000 0.217 601 A C 0.635 178.326 177.584 0.178 0.000 1.153 601 A CA 0.285 52.461 52.037 0.231 0.000 0.692 601 A CB -0.502 18.734 19.000 0.394 0.000 0.799 601 A HN 0.336 nan 8.150 nan 0.000 0.458 602 D N 0.352 120.859 120.400 0.178 0.000 2.583 602 D HA 0.002 4.655 4.640 0.023 0.000 0.232 602 D C 1.302 177.663 176.300 0.101 0.000 1.128 602 D CA 0.690 54.778 54.000 0.148 0.000 0.859 602 D CB 0.237 41.128 40.800 0.151 0.000 1.169 602 D HN 0.449 nan 8.370 nan 0.000 0.481 603 I N 1.168 121.791 120.570 0.088 0.000 2.761 603 I HA 0.226 4.410 4.170 0.023 0.000 0.261 603 I C 1.248 177.405 176.117 0.067 0.000 1.198 603 I CA -0.096 61.243 61.300 0.064 0.000 1.482 603 I CB -0.564 37.466 38.000 0.051 0.000 1.100 603 I HN 0.290 nan 8.210 nan 0.000 0.445 604 G N 0.200 109.049 108.800 0.083 0.000 2.491 604 G HA2 0.261 4.235 3.960 0.023 0.000 0.242 604 G HA3 0.261 4.235 3.960 0.023 0.000 0.242 604 G C 0.189 175.113 174.900 0.040 0.000 1.266 604 G CA -0.271 44.875 45.100 0.076 0.000 0.844 604 G HN 0.492 nan 8.290 nan 0.000 0.571 605 c N 0.372 118.989 118.600 0.029 0.000 3.559 605 c HA 0.388 4.972 4.570 0.023 0.000 0.314 605 c C 1.215 175.298 174.090 -0.012 0.000 1.419 605 c CA 0.432 56.765 56.329 0.007 0.000 1.775 605 c CB -0.908 41.617 42.510 0.026 0.000 2.430 605 c HN 0.977 nan 8.230 nan 0.000 0.686 606 T N -2.340 112.212 114.554 -0.003 0.000 2.906 606 T HA 0.440 4.803 4.350 0.023 0.000 0.295 606 T C -2.430 172.248 174.700 -0.036 0.000 1.075 606 T CA -1.177 60.922 62.100 -0.001 0.000 1.005 606 T CB 1.954 70.869 68.868 0.078 0.000 1.136 606 T HN -0.253 nan 8.240 nan 0.000 0.498 607 P HA 0.255 nan 4.420 nan 0.000 0.220 607 P C 0.744 178.100 177.300 0.095 0.000 1.148 607 P CA 1.292 64.373 63.100 -0.032 0.000 0.803 607 P CB -0.173 31.515 31.700 -0.020 0.000 0.782 608 G N -3.224 105.633 108.800 0.095 0.000 2.337 608 G HA2 0.376 4.350 3.960 0.023 0.000 0.298 608 G HA3 0.376 4.350 3.960 0.023 0.000 0.298 608 G C -0.628 174.347 174.900 0.124 0.000 1.335 608 G CA 0.102 45.256 45.100 0.090 0.000 0.875 608 G HN 0.084 nan 8.290 nan 0.000 0.579 609 S N -2.508 113.238 115.700 0.077 0.000 3.381 609 S HA 0.403 4.887 4.470 0.023 0.000 0.636 609 S C 0.683 175.313 174.600 0.050 0.000 2.614 609 S CA 1.858 60.115 58.200 0.096 0.000 2.810 609 S CB -0.972 62.365 63.200 0.228 0.000 0.331 609 S HN 3.059 nan 8.310 nan 0.000 1.788 610 G N -0.230 108.529 108.800 -0.068 0.000 2.328 610 G HA2 0.462 4.435 3.960 0.023 0.000 0.295 610 G HA3 0.462 4.435 3.960 0.023 0.000 0.295 610 G C -0.022 174.306 174.900 -0.953 0.000 1.413 610 G CA 0.354 45.114 45.100 -0.567 0.000 0.817 610 G HN 1.028 nan 8.290 nan 0.000 0.546 611 K N -0.971 118.681 120.400 -1.246 0.000 2.147 611 K HA 0.057 4.391 4.320 0.023 0.000 0.205 611 K C 0.352 176.648 176.600 -0.507 0.000 1.049 611 K CA 1.862 57.710 56.287 -0.732 0.000 0.936 611 K CB -0.201 32.081 32.500 -0.364 0.000 0.722 611 K HN 0.615 nan 8.250 nan 0.000 0.446 612 D N -1.498 118.634 120.400 -0.448 0.000 2.665 612 D HA -0.040 4.614 4.640 0.023 0.000 0.287 612 D C 0.741 176.956 176.300 -0.142 0.000 1.266 612 D CA -0.795 52.895 54.000 -0.515 0.000 0.830 612 D CB -0.037 40.528 40.800 -0.390 0.000 1.356 612 D HN 0.046 nan 8.370 nan 0.000 0.437 613 Y N -0.578 119.702 120.300 -0.034 0.000 2.151 613 Y HA -0.015 4.549 4.550 0.023 0.000 0.284 613 Y C 2.156 178.126 175.900 0.117 0.000 1.166 613 Y CA 1.940 60.096 58.100 0.093 0.000 1.163 613 Y CB -1.042 37.444 38.460 0.043 0.000 0.974 613 Y HN 0.412 nan 8.280 nan 0.000 0.511 614 A N 1.400 123.668 122.820 -0.919 0.000 1.902 614 A HA -0.048 4.285 4.320 0.023 0.000 0.217 614 A C 2.492 179.981 177.584 -0.158 0.000 1.181 614 A CA 1.744 53.452 52.037 -0.548 0.000 0.623 614 A CB -1.675 16.927 19.000 -0.663 0.000 0.818 614 A HN 0.657 nan 8.150 nan 0.000 0.443 615 G N -0.778 107.903 108.800 -0.198 0.000 2.422 615 G HA2 -0.032 3.942 3.960 0.023 0.000 0.218 615 G HA3 -0.032 3.942 3.960 0.023 0.000 0.218 615 G C 1.448 176.301 174.900 -0.080 0.000 1.140 615 G CA 1.091 46.110 45.100 -0.135 0.000 0.775 615 G HN 0.310 nan 8.290 nan 0.000 0.545 616 V N 0.340 120.206 119.914 -0.079 0.000 2.295 616 V HA -0.128 4.006 4.120 0.023 0.000 0.246 616 V C 2.464 178.479 176.094 -0.132 0.000 1.049 616 V CA 1.555 63.785 62.300 -0.117 0.000 1.024 616 V CB -0.612 31.100 31.823 -0.186 0.000 0.648 616 V HN 0.322 nan 8.190 nan 0.000 0.447 617 F N 0.641 120.581 119.950 -0.017 0.000 2.113 617 F HA -0.129 4.411 4.527 0.023 0.000 0.297 617 F C 2.727 178.543 175.800 0.028 0.000 1.103 617 F CA 1.834 59.845 58.000 0.017 0.000 1.248 617 F CB -0.831 38.179 39.000 0.017 0.000 0.999 617 F HN 0.013 nan 8.300 nan 0.000 0.475 618 S N -0.240 115.573 115.700 0.189 0.000 2.368 618 S HA -0.185 4.299 4.470 0.023 0.000 0.225 618 S C 1.534 176.184 174.600 0.082 0.000 1.030 618 S CA 1.510 59.777 58.200 0.112 0.000 0.999 618 S CB -0.411 62.824 63.200 0.058 0.000 0.844 618 S HN 0.315 nan 8.310 nan 0.000 0.459 619 D N 1.662 122.096 120.400 0.058 0.000 2.218 619 D HA 0.033 4.687 4.640 0.023 0.000 0.204 619 D C 1.829 178.170 176.300 0.068 0.000 0.976 619 D CA 1.045 55.078 54.000 0.054 0.000 0.853 619 D CB -0.278 40.549 40.800 0.044 0.000 0.939 619 D HN 0.421 nan 8.370 nan 0.000 0.481 620 A N -0.468 122.400 122.820 0.079 0.000 2.169 620 A HA 0.425 4.759 4.320 0.023 0.000 0.212 620 A C 1.565 179.221 177.584 0.120 0.000 1.153 620 A CA 0.960 53.057 52.037 0.100 0.000 0.756 620 A CB -0.068 18.988 19.000 0.093 0.000 0.813 620 A HN 0.239 nan 8.150 nan 0.000 0.471 621 G N -1.012 107.858 108.800 0.117 0.000 2.270 621 G HA2 -0.114 3.860 3.960 0.023 0.000 0.224 621 G HA3 -0.114 3.860 3.960 0.023 0.000 0.224 621 G C -0.367 174.614 174.900 0.135 0.000 1.079 621 G CA 0.161 45.327 45.100 0.111 0.000 0.807 621 G HN 0.463 nan 8.290 nan 0.000 0.492 622 L N -0.045 121.285 121.223 0.178 0.000 2.376 622 L HA 0.853 5.207 4.340 0.023 0.000 0.258 622 L C 0.426 177.411 176.870 0.191 0.000 1.013 622 L CA -0.628 54.343 54.840 0.217 0.000 0.822 622 L CB 2.623 44.894 42.059 0.352 0.000 1.388 622 L HN 0.410 nan 8.230 nan 0.000 0.413 623 T N -1.163 113.468 114.554 0.128 0.000 2.807 623 T HA 0.606 4.970 4.350 0.023 0.000 0.279 623 T C -1.023 173.664 174.700 -0.023 0.000 0.993 623 T CA -0.464 61.670 62.100 0.058 0.000 0.970 623 T CB 1.400 70.292 68.868 0.041 0.000 0.950 623 T HN 0.317 nan 8.240 nan 0.000 0.441 624 F N 2.561 122.323 119.950 -0.313 0.000 2.482 624 F HA 0.681 5.221 4.527 0.023 0.000 0.331 624 F C -0.748 174.914 175.800 -0.230 0.000 1.115 624 F CA -0.275 57.437 58.000 -0.480 0.000 0.955 624 F CB 2.097 40.423 39.000 -1.123 0.000 1.136 624 F HN 0.770 nan 8.300 nan 0.000 0.452 625 T N 3.945 117.963 114.554 -0.893 0.000 3.011 625 T HA 0.464 4.827 4.350 0.023 0.000 0.303 625 T C -0.989 173.303 174.700 -0.680 0.000 0.997 625 T CA -0.854 60.899 62.100 -0.578 0.000 1.007 625 T CB 1.299 70.022 68.868 -0.242 0.000 1.017 625 T HN 0.642 nan 8.240 nan 0.000 0.443 626 S N 0.904 116.317 115.700 -0.479 0.000 2.607 626 S HA 0.582 5.066 4.470 0.023 0.000 0.303 626 S C 1.465 176.003 174.600 -0.104 0.000 1.086 626 S CA -0.263 57.768 58.200 -0.281 0.000 0.995 626 S CB 1.710 64.822 63.200 -0.147 0.000 1.084 626 S HN 0.673 nan 8.310 nan 0.000 0.507 627 S N 1.185 116.855 115.700 -0.050 0.000 2.423 627 S HA -0.133 4.350 4.470 0.023 0.000 0.231 627 S C 1.850 176.459 174.600 0.015 0.000 1.014 627 S CA 1.097 59.306 58.200 0.016 0.000 0.965 627 S CB -1.186 62.075 63.200 0.101 0.000 0.785 627 S HN 0.991 nan 8.310 nan 0.000 0.495 628 S N 1.023 116.724 115.700 0.002 0.000 2.387 628 S HA 0.377 4.860 4.470 0.023 0.000 0.226 628 S C 1.735 176.343 174.600 0.012 0.000 1.026 628 S CA 0.865 59.069 58.200 0.007 0.000 0.972 628 S CB -0.625 62.574 63.200 -0.001 0.000 0.814 628 S HN 1.169 nan 8.310 nan 0.000 0.477 629 G N -0.344 108.465 108.800 0.016 0.000 3.246 629 G HA2 -0.054 3.920 3.960 0.023 0.000 0.218 629 G HA3 -0.054 3.920 3.960 0.023 0.000 0.218 629 G C -0.441 174.494 174.900 0.058 0.000 0.978 629 G CA -0.666 44.450 45.100 0.026 0.000 0.825 629 G HN 0.395 nan 8.290 nan 0.000 0.546 630 Q N 1.495 121.354 119.800 0.098 0.000 2.297 630 Q HA 0.554 4.907 4.340 0.023 0.000 0.267 630 Q C 0.298 176.439 176.000 0.235 0.000 1.006 630 Q CA 0.541 56.485 55.803 0.236 0.000 0.896 630 Q CB 0.789 29.699 28.738 0.287 0.000 1.186 630 Q HN 0.788 nan 8.270 nan 0.000 0.392 631 Q N -0.479 119.462 119.800 0.235 0.000 2.522 631 Q HA 0.601 4.955 4.340 0.023 0.000 0.285 631 Q C -1.085 174.958 176.000 0.071 0.000 0.982 631 Q CA -1.105 54.772 55.803 0.123 0.000 0.805 631 Q CB 0.893 29.632 28.738 0.002 0.000 1.457 631 Q HN 0.536 nan 8.270 nan 0.000 0.394 632 T N -0.889 113.685 114.554 0.033 0.000 2.899 632 T HA 0.648 5.012 4.350 0.023 0.000 0.295 632 T C 0.632 175.314 174.700 -0.029 0.000 1.033 632 T CA -0.143 61.945 62.100 -0.020 0.000 1.084 632 T CB 0.953 69.832 68.868 0.018 0.000 0.979 632 T HN 0.783 nan 8.240 nan 0.000 0.532 633 A N 2.241 125.035 122.820 -0.043 0.000 2.429 633 A HA 0.367 4.701 4.320 0.023 0.000 0.242 633 A C 0.756 178.327 177.584 -0.023 0.000 1.088 633 A CA -0.689 51.327 52.037 -0.036 0.000 0.784 633 A CB -0.233 18.743 19.000 -0.039 0.000 1.038 633 A HN 1.022 nan 8.150 nan 0.000 0.501 634 Q N 0.253 120.033 119.800 -0.033 0.000 2.352 634 Q HA 0.409 4.763 4.340 0.023 0.000 0.260 634 Q C -0.219 175.785 176.000 0.006 0.000 0.976 634 Q CA -0.232 55.551 55.803 -0.034 0.000 0.881 634 Q CB 0.716 29.402 28.738 -0.086 0.000 1.235 634 Q HN 0.633 nan 8.270 nan 0.000 0.419 635 R N 1.873 122.401 120.500 0.047 0.000 2.360 635 R HA 0.513 4.867 4.340 0.023 0.000 0.318 635 R C -0.799 175.603 176.300 0.170 0.000 0.950 635 R CA 0.039 56.188 56.100 0.082 0.000 0.837 635 R CB 1.108 31.451 30.300 0.073 0.000 1.165 635 R HN 0.854 nan 8.270 nan 0.000 0.458 636 A N 4.135 127.051 122.820 0.161 0.000 2.508 636 A HA 0.229 4.563 4.320 0.023 0.000 0.257 636 A C -0.438 177.232 177.584 0.142 0.000 1.226 636 A CA -0.186 52.013 52.037 0.270 0.000 0.947 636 A CB 0.476 19.625 19.000 0.248 0.000 1.079 636 A HN 0.597 nan 8.150 nan 0.000 0.531 637 E N 0.125 120.373 120.200 0.081 0.000 2.151 637 E HA 0.376 4.740 4.350 0.023 0.000 0.275 637 E C 0.322 176.931 176.600 0.015 0.000 0.936 637 E CA -0.435 55.989 56.400 0.041 0.000 0.777 637 E CB 1.662 31.384 29.700 0.037 0.000 1.108 637 E HN 0.312 nan 8.360 nan 0.000 0.401 638 L N 0.913 122.131 121.223 -0.008 0.000 2.217 638 L HA -0.094 4.260 4.340 0.023 0.000 0.211 638 L C 0.938 177.805 176.870 -0.006 0.000 1.107 638 L CA 0.973 55.798 54.840 -0.024 0.000 0.783 638 L CB 0.085 42.117 42.059 -0.045 0.000 0.919 638 L HN 0.256 nan 8.230 nan 0.000 0.442 639 Q N -1.095 118.707 119.800 0.002 0.000 2.241 639 Q HA 0.299 4.652 4.340 0.023 0.000 0.262 639 Q C -0.572 175.439 176.000 0.017 0.000 1.014 639 Q CA -0.561 55.248 55.803 0.009 0.000 0.885 639 Q CB 2.004 30.744 28.738 0.005 0.000 1.311 639 Q HN 0.074 nan 8.270 nan 0.000 0.461 640 c N 2.055 120.667 118.600 0.020 0.000 2.604 640 c HA 0.369 4.953 4.570 0.023 0.000 0.396 640 c C -1.632 172.470 174.090 0.020 0.000 1.282 640 c CA -0.785 55.557 56.329 0.022 0.000 2.292 640 c CB -0.597 41.925 42.510 0.020 0.000 2.633 640 c HN 0.611 nan 8.230 nan 0.000 0.620 641 P HA 0.162 nan 4.420 nan 0.000 0.267 641 P C -0.207 177.105 177.300 0.021 0.000 1.200 641 P CA 0.019 63.133 63.100 0.024 0.000 0.772 641 P CB 0.407 32.125 31.700 0.030 0.000 0.855 642 Q N 0.000 119.811 119.800 0.019 0.000 2.315 642 Q HA 0.000 4.354 4.340 0.023 0.000 0.214 642 Q CA 0.000 55.813 55.803 0.018 0.000 1.022 642 Q CB 0.000 28.748 28.738 0.016 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481