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 2a74_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA XXXXXXXXXR 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 SRKVLLDGVX XXRAEDLVGK 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 0.000 174.517 174.600 -0.138 0.000 1.055 1 S CA 0.000 58.148 58.200 -0.088 0.000 1.107 1 S CB 0.000 63.157 63.200 -0.071 0.000 0.593 2 P HA 0.265 nan 4.420 nan 0.000 0.271 2 P C -0.463 176.506 177.300 -0.552 0.000 1.226 2 P CA -0.208 62.658 63.100 -0.390 0.000 0.765 2 P CB 0.452 31.861 31.700 -0.484 0.000 0.835 3 M N 4.358 123.702 119.600 -0.425 0.000 2.129 3 M HA 0.309 4.789 4.480 0.000 0.000 0.348 3 M C -1.322 174.715 176.300 -0.439 0.000 1.116 3 M CA -0.679 54.409 55.300 -0.354 0.000 1.022 3 M CB 0.583 33.120 32.600 -0.104 0.000 1.599 3 M HN 0.285 nan 8.290 nan 0.000 0.449 4 Y N 2.389 122.521 120.300 -0.281 0.000 2.326 4 Y HA 0.446 4.996 4.550 0.000 0.000 0.337 4 Y C 0.446 176.061 175.900 -0.475 0.000 1.023 4 Y CA -0.564 57.152 58.100 -0.640 0.000 1.143 4 Y CB 1.297 38.935 38.460 -1.369 0.000 1.183 4 Y HN 0.612 nan 8.280 nan 0.000 0.485 5 S N 3.077 118.680 115.700 -0.161 0.000 2.542 5 S HA 0.788 5.258 4.470 0.000 0.000 0.293 5 S C -1.358 173.251 174.600 0.015 0.000 1.089 5 S CA -0.733 57.375 58.200 -0.153 0.000 0.961 5 S CB 2.123 65.258 63.200 -0.108 0.000 1.062 5 S HN 0.518 nan 8.310 nan 0.000 0.483 6 I N 1.669 122.179 120.570 -0.100 0.000 2.569 6 I HA 0.686 4.856 4.170 0.000 0.000 0.296 6 I C -1.557 174.526 176.117 -0.057 0.000 1.028 6 I CA -1.542 59.775 61.300 0.027 0.000 1.082 6 I CB 1.414 39.465 38.000 0.085 0.000 1.264 6 I HN 0.873 nan 8.210 nan 0.000 0.429 7 I N 6.482 127.091 120.570 0.065 0.000 2.499 7 I HA 0.524 4.694 4.170 0.000 0.000 0.288 7 I C -0.546 175.645 176.117 0.124 0.000 1.048 7 I CA -0.331 61.025 61.300 0.094 0.000 1.062 7 I CB 2.202 40.325 38.000 0.206 0.000 1.238 7 I HN 0.723 nan 8.210 nan 0.000 0.426 8 T N 3.034 117.657 114.554 0.115 0.000 2.865 8 T HA 0.627 4.977 4.350 0.000 0.000 0.294 8 T C -3.001 171.770 174.700 0.119 0.000 1.119 8 T CA -2.414 59.766 62.100 0.134 0.000 1.007 8 T CB 2.139 71.102 68.868 0.159 0.000 1.225 8 T HN 0.077 nan 8.240 nan 0.000 0.515 9 P HA 0.245 nan 4.420 nan 0.000 0.267 9 P C 0.444 177.787 177.300 0.071 0.000 1.200 9 P CA -0.009 63.138 63.100 0.077 0.000 0.772 9 P CB 0.238 31.960 31.700 0.036 0.000 0.855 10 N N 0.749 119.488 118.700 0.064 0.000 2.205 10 N HA -0.094 4.646 4.740 0.000 0.000 0.186 10 N C 0.196 175.727 175.510 0.037 0.000 1.015 10 N CA 0.773 53.856 53.050 0.054 0.000 0.862 10 N CB -0.128 38.387 38.487 0.047 0.000 0.986 10 N HN 0.389 nan 8.380 nan 0.000 0.429 11 I N 1.254 121.832 120.570 0.013 0.000 2.447 11 I HA 0.245 4.415 4.170 0.000 0.000 0.287 11 I C -0.941 175.161 176.117 -0.025 0.000 1.023 11 I CA -0.521 60.769 61.300 -0.017 0.000 1.083 11 I CB 2.075 40.049 38.000 -0.045 0.000 1.245 11 I HN -0.084 nan 8.210 nan 0.000 0.434 12 L N 6.264 127.480 121.223 -0.010 0.000 2.357 12 L HA 0.540 4.880 4.340 0.000 0.000 0.273 12 L C 0.117 176.960 176.870 -0.045 0.000 1.080 12 L CA -0.584 54.250 54.840 -0.009 0.000 0.803 12 L CB 1.160 43.264 42.059 0.075 0.000 1.174 12 L HN 0.545 nan 8.230 nan 0.000 0.443 13 R N 1.775 122.232 120.500 -0.072 0.000 2.758 13 R HA 0.697 5.037 4.340 0.000 0.000 0.265 13 R C -1.041 175.232 176.300 -0.044 0.000 1.016 13 R CA -0.764 55.296 56.100 -0.067 0.000 1.040 13 R CB 1.340 31.589 30.300 -0.084 0.000 1.152 13 R HN 0.426 nan 8.270 nan 0.000 0.503 14 L N 1.517 122.721 121.223 -0.032 0.000 2.343 14 L HA 0.286 4.626 4.340 0.000 0.000 0.275 14 L C 0.177 177.024 176.870 -0.037 0.000 1.056 14 L CA -0.289 54.537 54.840 -0.023 0.000 0.804 14 L CB 1.293 43.342 42.059 -0.015 0.000 1.203 14 L HN 0.744 nan 8.230 nan 0.000 0.440 15 E N -0.195 119.986 120.200 -0.031 0.000 2.539 15 E HA -0.222 4.128 4.350 0.000 0.000 0.253 15 E C -0.427 176.142 176.600 -0.052 0.000 1.145 15 E CA 0.707 57.085 56.400 -0.038 0.000 0.738 15 E CB -1.451 28.224 29.700 -0.042 0.000 1.308 15 E HN 0.625 nan 8.360 nan 0.000 0.409 16 S N -0.910 114.750 115.700 -0.067 0.000 2.549 16 S HA 0.403 4.873 4.470 0.000 0.000 0.280 16 S C -0.325 174.195 174.600 -0.134 0.000 1.109 16 S CA -1.123 57.030 58.200 -0.079 0.000 0.905 16 S CB 2.079 65.245 63.200 -0.056 0.000 1.081 16 S HN 0.148 nan 8.310 nan 0.000 0.477 17 E N 1.843 121.970 120.200 -0.122 0.000 2.406 17 E HA 0.096 4.447 4.350 0.000 0.000 0.258 17 E C -0.122 176.329 176.600 -0.249 0.000 1.043 17 E CA 0.357 56.655 56.400 -0.169 0.000 0.929 17 E CB 0.393 30.033 29.700 -0.099 0.000 0.969 17 E HN 0.497 nan 8.360 nan 0.000 0.462 18 E N 1.725 121.637 120.200 -0.480 0.000 2.232 18 E HA 0.385 4.735 4.350 0.000 0.000 0.264 18 E C -0.562 175.769 176.600 -0.447 0.000 0.973 18 E CA -0.557 55.509 56.400 -0.557 0.000 0.849 18 E CB 2.030 31.180 29.700 -0.917 0.000 1.198 18 E HN 0.249 nan 8.360 nan 0.000 0.407 19 T N 1.529 115.967 114.554 -0.193 0.000 2.861 19 T HA 0.479 4.830 4.350 0.000 0.000 0.287 19 T C -0.299 174.482 174.700 0.136 0.000 1.003 19 T CA -0.581 61.518 62.100 -0.001 0.000 0.977 19 T CB 0.933 69.806 68.868 0.009 0.000 0.996 19 T HN 0.350 nan 8.240 nan 0.000 0.448 20 M N 4.166 123.901 119.600 0.226 0.000 2.167 20 M HA 0.629 5.109 4.480 0.000 0.000 0.333 20 M C -1.473 174.912 176.300 0.141 0.000 1.030 20 M CA -0.612 54.814 55.300 0.211 0.000 0.963 20 M CB 0.838 33.572 32.600 0.223 0.000 1.589 20 M HN 0.310 nan 8.290 nan 0.000 0.431 21 V N 6.617 126.616 119.914 0.143 0.000 2.465 21 V HA 0.441 4.561 4.120 0.000 0.000 0.279 21 V C -0.308 175.888 176.094 0.169 0.000 1.045 21 V CA -0.478 61.908 62.300 0.145 0.000 0.938 21 V CB 1.180 33.106 31.823 0.171 0.000 0.986 21 V HN 0.817 nan 8.190 nan 0.000 0.467 22 L N 5.139 126.462 121.223 0.166 0.000 2.362 22 L HA 0.700 5.040 4.340 0.000 0.000 0.275 22 L C -0.340 176.681 176.870 0.251 0.000 0.998 22 L CA -0.341 54.649 54.840 0.251 0.000 0.820 22 L CB 2.014 44.174 42.059 0.169 0.000 1.270 22 L HN 0.599 nan 8.230 nan 0.000 0.415 23 E N 1.820 122.195 120.200 0.291 0.000 2.308 23 E HA 0.646 4.996 4.350 0.000 0.000 0.275 23 E C -1.233 175.384 176.600 0.029 0.000 0.890 23 E CA -0.803 55.651 56.400 0.090 0.000 0.754 23 E CB 2.609 32.290 29.700 -0.031 0.000 1.207 23 E HN 0.625 nan 8.360 nan 0.000 0.426 24 A N 3.602 126.430 122.820 0.014 0.000 2.316 24 A HA 0.347 4.667 4.320 0.000 0.000 0.324 24 A C -0.862 176.583 177.584 -0.232 0.000 1.375 24 A CA -0.624 51.387 52.037 -0.043 0.000 0.882 24 A CB 0.204 19.302 19.000 0.165 0.000 1.152 24 A HN 0.555 nan 8.150 nan 0.000 0.512 25 H N 2.167 121.187 119.070 -0.083 0.000 2.690 25 H HA 0.131 4.687 4.556 0.000 0.000 0.314 25 H C -0.248 175.009 175.328 -0.118 0.000 1.069 25 H CA 0.745 56.790 56.048 -0.004 0.000 1.436 25 H CB 0.756 30.550 29.762 0.052 0.000 1.462 25 H HN 0.861 nan 8.280 nan 0.000 0.511 26 D N 0.226 120.654 120.400 0.046 0.000 2.981 26 D HA -0.146 4.494 4.640 0.000 0.000 0.223 26 D C 0.228 176.442 176.300 -0.143 0.000 1.151 26 D CA 0.632 54.612 54.000 -0.033 0.000 0.827 26 D CB -1.089 39.691 40.800 -0.032 0.000 1.101 26 D HN 0.629 nan 8.370 nan 0.000 0.426 27 A N -0.106 122.542 122.820 -0.287 0.000 2.257 27 A HA 0.559 4.879 4.320 0.000 0.000 0.289 27 A C 0.423 177.819 177.584 -0.313 0.000 1.095 27 A CA -0.209 51.604 52.037 -0.373 0.000 0.836 27 A CB 1.227 19.897 19.000 -0.550 0.000 1.111 27 A HN 0.063 nan 8.150 nan 0.000 0.497 28 Q N -0.552 119.169 119.800 -0.132 0.000 2.397 28 Q HA 0.550 4.890 4.340 0.000 0.000 0.275 28 Q C 0.280 176.352 176.000 0.120 0.000 1.090 28 Q CA 0.292 56.115 55.803 0.033 0.000 0.809 28 Q CB 1.762 30.518 28.738 0.030 0.000 1.362 28 Q HN 1.952 nan 8.270 nan 0.000 0.431 29 G N 2.417 111.324 108.800 0.178 0.000 2.697 29 G HA2 -0.213 3.748 3.960 0.000 0.000 0.240 29 G HA3 -0.213 3.748 3.960 0.000 0.000 0.240 29 G C -0.864 174.181 174.900 0.242 0.000 1.346 29 G CA -0.384 44.812 45.100 0.159 0.000 0.887 29 G HN 0.584 nan 8.290 nan 0.000 0.569 30 D N -0.575 119.910 120.400 0.143 0.000 2.264 30 D HA 0.490 5.130 4.640 0.000 0.000 0.249 30 D C 0.086 176.472 176.300 0.144 0.000 1.070 30 D CA 0.308 54.384 54.000 0.126 0.000 0.912 30 D CB 1.872 42.705 40.800 0.056 0.000 1.193 30 D HN 0.893 nan 8.370 nan 0.000 0.427 31 V N 3.040 123.049 119.914 0.157 0.000 2.488 31 V HA 0.354 4.474 4.120 0.000 0.000 0.293 31 V C -2.690 173.445 176.094 0.068 0.000 1.027 31 V CA -2.048 60.335 62.300 0.137 0.000 0.862 31 V CB 2.195 34.151 31.823 0.222 0.000 1.008 31 V HN 0.353 nan 8.190 nan 0.000 0.428 32 P HA 0.260 nan 4.420 nan 0.000 0.271 32 P C -0.939 176.294 177.300 -0.111 0.000 1.216 32 P CA 0.110 63.187 63.100 -0.038 0.000 0.771 32 P CB 1.498 33.177 31.700 -0.035 0.000 0.864 33 V N 3.148 122.960 119.914 -0.171 0.000 2.525 33 V HA 0.363 4.484 4.120 0.000 0.000 0.299 33 V C 0.385 176.327 176.094 -0.254 0.000 1.034 33 V CA -0.518 61.581 62.300 -0.335 0.000 0.863 33 V CB 1.837 33.349 31.823 -0.518 0.000 0.999 33 V HN 0.704 nan 8.190 nan 0.000 0.423 34 T N 2.061 116.469 114.554 -0.244 0.000 2.771 34 T HA 0.785 5.135 4.350 0.000 0.000 0.281 34 T C -0.615 173.955 174.700 -0.216 0.000 0.982 34 T CA -0.637 61.353 62.100 -0.183 0.000 0.978 34 T CB 1.523 70.316 68.868 -0.125 0.000 0.930 34 T HN 0.301 nan 8.240 nan 0.000 0.447 35 V N 3.422 123.216 119.914 -0.201 0.000 2.513 35 V HA 0.675 4.795 4.120 0.000 0.000 0.299 35 V C 0.405 176.371 176.094 -0.214 0.000 1.035 35 V CA -0.591 61.576 62.300 -0.221 0.000 0.889 35 V CB 1.926 33.607 31.823 -0.236 0.000 0.988 35 V HN 1.129 nan 8.190 nan 0.000 0.440 36 T N 3.238 117.663 114.554 -0.216 0.000 2.893 36 T HA 0.702 5.052 4.350 0.000 0.000 0.291 36 T C -0.993 173.524 174.700 -0.304 0.000 1.028 36 T CA -0.361 61.599 62.100 -0.233 0.000 0.995 36 T CB 1.949 70.762 68.868 -0.093 0.000 1.051 36 T HN 0.390 nan 8.240 nan 0.000 0.470 37 V N 3.186 122.855 119.914 -0.409 0.000 2.588 37 V HA 0.548 4.668 4.120 0.000 0.000 0.304 37 V C -1.046 174.806 176.094 -0.405 0.000 1.042 37 V CA -0.831 61.273 62.300 -0.327 0.000 0.877 37 V CB 1.718 33.360 31.823 -0.301 0.000 0.996 37 V HN 0.923 nan 8.190 nan 0.000 0.425 38 H N 1.393 120.456 119.070 -0.011 0.000 2.797 38 H HA 0.509 5.065 4.556 0.000 0.000 0.372 38 H C -0.763 174.610 175.328 0.076 0.000 1.168 38 H CA -0.902 55.162 56.048 0.026 0.000 1.163 38 H CB 1.458 31.235 29.762 0.026 0.000 1.778 38 H HN 0.790 nan 8.280 nan 0.000 0.551 39 D N 1.137 121.665 120.400 0.214 0.000 2.399 39 D HA 0.001 4.642 4.640 0.000 0.000 0.241 39 D C -0.516 175.927 176.300 0.239 0.000 1.133 39 D CA -0.138 53.979 54.000 0.194 0.000 0.890 39 D CB 0.852 41.728 40.800 0.128 0.000 1.201 39 D HN 0.238 nan 8.370 nan 0.000 0.432 40 F N 1.777 121.792 119.950 0.108 0.000 2.458 40 F HA 0.473 5.000 4.527 0.000 0.000 0.336 40 F C -2.487 173.363 175.800 0.084 0.000 1.114 40 F CA -1.822 56.230 58.000 0.087 0.000 0.987 40 F CB 1.581 40.648 39.000 0.111 0.000 1.130 40 F HN 0.193 nan 8.300 nan 0.000 0.458 41 P HA 0.835 nan 4.420 nan 0.000 0.289 41 P C -0.370 176.779 177.300 -0.252 0.000 1.293 41 P CA -0.269 62.437 63.100 -0.656 0.000 0.897 41 P CB 1.928 33.052 31.700 -0.960 0.000 1.166 42 G N 0.620 109.313 108.800 -0.179 0.000 2.384 42 G HA2 0.051 4.011 3.960 0.000 0.000 0.204 42 G HA3 0.051 4.011 3.960 0.000 0.000 0.204 42 G C -1.617 173.249 174.900 -0.058 0.000 1.237 42 G CA -0.803 44.238 45.100 -0.098 0.000 1.060 42 G HN 0.709 nan 8.290 nan 0.000 0.514 43 K N -0.290 120.096 120.400 -0.023 0.000 2.513 43 K HA 0.618 4.938 4.320 0.000 0.000 0.251 43 K C 0.257 176.914 176.600 0.095 0.000 0.939 43 K CA -0.694 55.613 56.287 0.033 0.000 0.793 43 K CB 2.318 34.786 32.500 -0.053 0.000 1.241 43 K HN 0.489 nan 8.250 nan 0.000 0.431 44 K N 2.356 122.859 120.400 0.172 0.000 2.544 44 K HA 0.189 4.509 4.320 0.000 0.000 0.213 44 K C -0.411 176.249 176.600 0.099 0.000 1.392 44 K CA -0.003 56.348 56.287 0.107 0.000 0.980 44 K CB 0.564 33.106 32.500 0.070 0.000 1.177 44 K HN 0.570 nan 8.250 nan 0.000 0.570 45 L N 1.164 122.468 121.223 0.136 0.000 3.523 45 L HA -0.178 4.162 4.340 0.000 0.000 0.668 45 L C 0.128 176.913 176.870 -0.141 0.000 1.211 45 L CA -0.087 54.646 54.840 -0.179 0.000 1.096 45 L CB -0.909 41.113 42.059 -0.061 0.000 1.617 45 L HN 0.022 nan 8.230 nan 0.000 0.873 46 V N 0.962 120.795 119.914 -0.135 0.000 2.488 46 V HA 0.120 4.241 4.120 0.000 0.000 0.246 46 V C 0.957 177.014 176.094 -0.063 0.000 1.046 46 V CA 1.372 63.637 62.300 -0.058 0.000 1.053 46 V CB -0.306 31.513 31.823 -0.007 0.000 0.679 46 V HN 0.627 nan 8.190 nan 0.000 0.458 47 L N 0.634 121.782 121.223 -0.125 0.000 2.409 47 L HA 0.659 4.999 4.340 0.000 0.000 0.272 47 L C 0.421 177.181 176.870 -0.184 0.000 0.980 47 L CA 0.560 55.338 54.840 -0.104 0.000 0.826 47 L CB 2.161 44.203 42.059 -0.029 0.000 1.268 47 L HN 0.172 nan 8.230 nan 0.000 0.407 48 S N -0.006 115.620 115.700 -0.124 0.000 2.692 48 S HA 0.151 4.621 4.470 0.000 0.000 0.269 48 S C 0.615 175.164 174.600 -0.085 0.000 1.080 48 S CA 0.275 58.399 58.200 -0.126 0.000 1.058 48 S CB -0.169 62.974 63.200 -0.096 0.000 0.982 48 S HN 0.663 nan 8.310 nan 0.000 0.534 49 S N 1.975 117.640 115.700 -0.057 0.000 2.632 49 S HA 0.479 4.949 4.470 0.000 0.000 0.254 49 S C -0.512 174.057 174.600 -0.053 0.000 1.291 49 S CA -0.107 58.069 58.200 -0.040 0.000 0.974 49 S CB -0.300 62.891 63.200 -0.014 0.000 1.016 49 S HN 0.387 nan 8.310 nan 0.000 0.579 50 E N -0.555 119.623 120.200 -0.036 0.000 4.670 50 E HA -0.077 4.273 4.350 0.000 0.000 0.176 50 E C -1.063 175.492 176.600 -0.076 0.000 1.332 50 E CA 0.484 56.859 56.400 -0.041 0.000 1.078 50 E CB -2.162 27.515 29.700 -0.038 0.000 1.040 50 E HN 0.852 nan 8.360 nan 0.000 0.376 51 K N -0.535 119.826 120.400 -0.064 0.000 2.350 51 K HA 0.882 5.202 4.320 0.000 0.000 0.241 51 K C 0.098 176.659 176.600 -0.065 0.000 0.994 51 K CA -0.932 55.306 56.287 -0.082 0.000 0.839 51 K CB 2.890 35.346 32.500 -0.074 0.000 1.244 51 K HN 0.186 nan 8.250 nan 0.000 0.443 52 T N -0.530 113.978 114.554 -0.076 0.000 2.739 52 T HA 0.409 4.759 4.350 0.000 0.000 0.303 52 T C -1.901 172.769 174.700 -0.050 0.000 1.389 52 T CA -0.701 61.367 62.100 -0.052 0.000 1.001 52 T CB 1.669 70.511 68.868 -0.044 0.000 1.436 52 T HN 0.330 nan 8.240 nan 0.000 0.500 53 V N 3.167 123.064 119.914 -0.028 0.000 2.483 53 V HA 0.521 4.641 4.120 0.000 0.000 0.297 53 V C -0.180 175.916 176.094 0.005 0.000 1.027 53 V CA -0.842 61.452 62.300 -0.011 0.000 0.855 53 V CB 1.372 33.190 31.823 -0.008 0.000 0.995 53 V HN 0.738 nan 8.190 nan 0.000 0.424 54 L N 3.746 124.998 121.223 0.048 0.000 2.349 54 L HA 0.613 4.953 4.340 0.000 0.000 0.275 54 L C 0.366 177.244 176.870 0.013 0.000 1.115 54 L CA 0.295 55.181 54.840 0.077 0.000 0.820 54 L CB 1.321 43.513 42.059 0.222 0.000 1.135 54 L HN 0.615 nan 8.230 nan 0.000 0.445 55 T N 2.738 117.164 114.554 -0.213 0.000 2.912 55 T HA 0.291 4.641 4.350 0.000 0.000 0.299 55 T C -1.987 172.322 174.700 -0.652 0.000 1.052 55 T CA -1.078 60.831 62.100 -0.319 0.000 0.996 55 T CB 2.406 71.183 68.868 -0.152 0.000 1.070 55 T HN 0.261 nan 8.240 nan 0.000 0.465 56 P HA -0.107 nan 4.420 nan 0.000 0.216 56 P C 1.123 178.297 177.300 -0.211 0.000 1.154 56 P CA 1.040 63.937 63.100 -0.339 0.000 0.865 56 P CB 0.146 31.793 31.700 -0.089 0.000 0.789 57 A N -1.083 121.642 122.820 -0.158 0.000 2.119 57 A HA -0.050 4.270 4.320 0.000 0.000 0.216 57 A C 1.828 179.349 177.584 -0.106 0.000 1.152 57 A CA 1.788 53.765 52.037 -0.100 0.000 0.708 57 A CB -1.379 17.580 19.000 -0.068 0.000 0.805 57 A HN 0.340 nan 8.150 nan 0.000 0.460 58 T N -3.665 110.801 114.554 -0.147 0.000 3.176 58 T HA 0.151 4.501 4.350 0.000 0.000 0.263 58 T C 0.248 174.851 174.700 -0.162 0.000 1.021 58 T CA 0.160 62.184 62.100 -0.127 0.000 0.905 58 T CB -0.604 68.204 68.868 -0.100 0.000 1.057 58 T HN 0.419 nan 8.240 nan 0.000 0.558 59 N N 3.100 121.681 118.700 -0.199 0.000 2.708 59 N HA -0.208 4.532 4.740 0.000 0.000 0.249 59 N C -0.461 174.987 175.510 -0.104 0.000 1.097 59 N CA 1.286 54.235 53.050 -0.168 0.000 0.710 59 N CB -1.943 36.422 38.487 -0.203 0.000 1.032 59 N HN 0.783 nan 8.380 nan 0.000 0.551 60 H N -3.100 115.923 119.070 -0.078 0.000 2.791 60 H HA -0.177 4.379 4.556 0.000 0.000 0.302 60 H C 0.261 175.549 175.328 -0.067 0.000 1.198 60 H CA 1.207 57.229 56.048 -0.044 0.000 1.145 60 H CB -1.187 28.558 29.762 -0.028 0.000 1.385 60 H HN 0.458 nan 8.280 nan 0.000 0.409 61 M N 0.179 119.767 119.600 -0.021 0.000 2.383 61 M HA 0.536 5.017 4.480 0.000 0.000 0.325 61 M C 0.777 177.079 176.300 0.003 0.000 1.092 61 M CA 0.157 55.449 55.300 -0.014 0.000 0.961 61 M CB 2.460 35.017 32.600 -0.071 0.000 1.672 61 M HN 0.411 nan 8.290 nan 0.000 0.438 62 G N 2.427 111.249 108.800 0.038 0.000 2.677 62 G HA2 0.390 4.350 3.960 0.000 0.000 0.283 62 G HA3 0.390 4.350 3.960 0.000 0.000 0.283 62 G C -0.862 174.064 174.900 0.043 0.000 1.221 62 G CA -0.137 44.979 45.100 0.028 0.000 0.851 62 G HN 0.588 nan 8.290 nan 0.000 0.504 63 N N -1.792 116.926 118.700 0.030 0.000 2.719 63 N HA 0.446 5.186 4.740 0.000 0.000 0.133 63 N C 0.137 175.671 175.510 0.040 0.000 1.637 63 N CA 1.646 54.720 53.050 0.040 0.000 1.184 63 N CB 0.385 38.891 38.487 0.030 0.000 0.995 63 N HN 1.756 nan 8.380 nan 0.000 0.423 64 V N 0.458 120.392 119.914 0.033 0.000 3.541 64 V HA -0.111 4.009 4.120 0.000 0.000 0.501 64 V C -0.767 175.403 176.094 0.126 0.000 0.682 64 V CA 0.347 62.684 62.300 0.062 0.000 2.045 64 V CB -2.301 29.542 31.823 0.034 0.000 2.474 64 V HN 0.644 nan 8.190 nan 0.000 0.507 65 T N 5.677 120.294 114.554 0.105 0.000 2.824 65 T HA 0.902 5.252 4.350 0.000 0.000 0.280 65 T C -0.532 174.253 174.700 0.143 0.000 0.995 65 T CA 0.003 62.151 62.100 0.081 0.000 1.009 65 T CB 1.692 70.565 68.868 0.008 0.000 0.955 65 T HN 2.180 nan 8.240 nan 0.000 0.452 66 F N -0.854 119.086 119.950 -0.017 0.000 2.599 66 F HA 0.814 5.341 4.527 0.000 0.000 0.311 66 F C -0.979 174.809 175.800 -0.019 0.000 1.076 66 F CA -1.075 56.911 58.000 -0.023 0.000 0.937 66 F CB 1.504 40.485 39.000 -0.032 0.000 1.282 66 F HN 0.513 nan 8.300 nan 0.000 0.460 67 T N 3.744 118.367 114.554 0.116 0.000 2.809 67 T HA 0.544 4.894 4.350 0.000 0.000 0.284 67 T C -0.344 174.439 174.700 0.138 0.000 0.992 67 T CA -0.365 61.750 62.100 0.025 0.000 0.957 67 T CB 1.055 69.925 68.868 0.003 0.000 0.942 67 T HN 0.551 nan 8.240 nan 0.000 0.439 68 I N 5.532 126.176 120.570 0.123 0.000 2.352 68 I HA 0.281 4.451 4.170 0.000 0.000 0.290 68 I C -2.151 173.994 176.117 0.048 0.000 1.036 68 I CA -2.328 59.043 61.300 0.117 0.000 1.336 68 I CB 0.934 39.018 38.000 0.140 0.000 1.407 68 I HN 0.301 nan 8.210 nan 0.000 0.497 69 P HA 0.319 nan 4.420 nan 0.000 0.274 69 P C -0.179 177.133 177.300 0.019 0.000 1.231 69 P CA 0.191 63.302 63.100 0.019 0.000 0.790 69 P CB 0.938 32.647 31.700 0.015 0.000 0.951 81 N N 1.863 120.567 118.700 0.006 0.000 4.133 81 N HA -0.102 4.639 4.740 0.000 0.000 0.316 81 N C -1.573 173.806 175.510 -0.218 0.000 2.208 81 N CA 0.880 53.852 53.050 -0.130 0.000 2.916 81 N CB -0.093 38.287 38.487 -0.179 0.000 0.314 81 N HN 0.209 nan 8.380 nan 0.000 0.696 82 K N 1.837 122.074 120.400 -0.271 0.000 2.174 82 K HA 0.598 4.918 4.320 0.000 0.000 0.275 82 K C -0.381 175.968 176.600 -0.418 0.000 1.015 82 K CA -0.055 56.130 56.287 -0.170 0.000 0.933 82 K CB 0.871 33.337 32.500 -0.056 0.000 1.025 82 K HN 0.308 nan 8.250 nan 0.000 0.463 83 F N 0.374 120.382 119.950 0.097 0.000 2.593 83 F HA 0.407 4.934 4.527 0.000 0.000 0.320 83 F C 0.018 175.881 175.800 0.106 0.000 1.060 83 F CA -1.184 56.845 58.000 0.048 0.000 0.940 83 F CB 1.749 40.702 39.000 -0.078 0.000 1.268 83 F HN 0.227 nan 8.300 nan 0.000 0.475 84 V N -1.781 118.286 119.914 0.255 0.000 2.960 84 V HA 0.743 4.863 4.120 0.000 0.000 0.315 84 V C -0.590 175.597 176.094 0.156 0.000 1.087 84 V CA -0.734 61.691 62.300 0.210 0.000 0.982 84 V CB 1.573 33.478 31.823 0.138 0.000 1.039 84 V HN 0.730 nan 8.190 nan 0.000 0.437 85 T N 2.635 117.301 114.554 0.185 0.000 2.762 85 T HA 0.500 4.850 4.350 0.000 0.000 0.303 85 T C -0.098 174.649 174.700 0.077 0.000 0.977 85 T CA -0.204 61.972 62.100 0.127 0.000 0.961 85 T CB 0.794 69.778 68.868 0.193 0.000 0.944 85 T HN 0.664 nan 8.240 nan 0.000 0.481 86 V N 4.288 124.208 119.914 0.010 0.000 2.555 86 V HA 0.277 4.397 4.120 0.000 0.000 0.286 86 V C 0.297 176.370 176.094 -0.034 0.000 1.044 86 V CA -0.202 62.061 62.300 -0.062 0.000 1.026 86 V CB 1.182 32.958 31.823 -0.078 0.000 0.981 86 V HN 0.835 nan 8.190 nan 0.000 0.480 87 Q N 3.590 123.357 119.800 -0.055 0.000 2.303 87 Q HA 0.680 5.020 4.340 0.000 0.000 0.267 87 Q C -0.910 175.043 176.000 -0.079 0.000 1.011 87 Q CA -0.529 55.260 55.803 -0.024 0.000 0.740 87 Q CB 1.735 30.498 28.738 0.041 0.000 1.250 87 Q HN 0.875 nan 8.270 nan 0.000 0.458 88 A N 2.874 125.654 122.820 -0.066 0.000 2.304 88 A HA 0.695 5.015 4.320 0.000 0.000 0.323 88 A C -0.653 176.847 177.584 -0.140 0.000 1.195 88 A CA -0.433 51.497 52.037 -0.178 0.000 0.826 88 A CB 1.462 20.337 19.000 -0.209 0.000 1.184 88 A HN 0.633 nan 8.150 nan 0.000 0.496 89 T N 3.039 117.438 114.554 -0.258 0.000 2.842 89 T HA 0.449 4.799 4.350 0.000 0.000 0.308 89 T C -0.861 173.675 174.700 -0.274 0.000 1.041 89 T CA 0.170 62.177 62.100 -0.155 0.000 0.964 89 T CB -0.363 68.443 68.868 -0.103 0.000 0.972 89 T HN 0.369 nan 8.240 nan 0.000 0.460 90 F N 2.669 122.436 119.950 -0.305 0.000 2.371 90 F HA 0.483 5.010 4.527 0.000 0.000 0.363 90 F C 1.636 177.198 175.800 -0.396 0.000 1.122 90 F CA -0.098 57.631 58.000 -0.451 0.000 1.129 90 F CB 0.700 39.097 39.000 -1.005 0.000 1.173 90 F HN 0.831 nan 8.300 nan 0.000 0.489 91 G N 2.687 111.437 108.800 -0.083 0.000 4.011 91 G HA2 -0.414 3.546 3.960 0.000 0.000 0.348 91 G HA3 -0.414 3.546 3.960 0.000 0.000 0.348 91 G C 1.099 175.975 174.900 -0.040 0.000 1.310 91 G CA 1.274 46.348 45.100 -0.044 0.000 1.056 91 G HN 0.562 nan 8.290 nan 0.000 0.728 92 T N 0.130 114.665 114.554 -0.032 0.000 3.041 92 T HA 0.351 4.702 4.350 0.000 0.000 0.276 92 T C 0.471 175.167 174.700 -0.006 0.000 0.948 92 T CA 0.891 62.984 62.100 -0.013 0.000 0.885 92 T CB 0.428 69.300 68.868 0.006 0.000 1.175 92 T HN 0.488 nan 8.240 nan 0.000 0.529 93 Q N 2.563 122.349 119.800 -0.023 0.000 2.322 93 Q HA 0.454 4.794 4.340 0.000 0.000 0.256 93 Q C -0.756 175.275 176.000 0.052 0.000 0.960 93 Q CA -0.179 55.630 55.803 0.011 0.000 0.934 93 Q CB 1.081 29.813 28.738 -0.010 0.000 1.200 93 Q HN 0.173 nan 8.270 nan 0.000 0.435 94 V N 5.830 125.775 119.914 0.053 0.000 2.432 94 V HA 0.603 4.723 4.120 0.000 0.000 0.275 94 V C -1.097 175.043 176.094 0.077 0.000 1.043 94 V CA -0.389 61.946 62.300 0.058 0.000 0.925 94 V CB 1.234 33.070 31.823 0.022 0.000 0.985 94 V HN 0.614 nan 8.190 nan 0.000 0.466 95 V N 7.916 127.900 119.914 0.116 0.000 2.407 95 V HA 0.569 4.689 4.120 0.000 0.000 0.291 95 V C -0.222 175.903 176.094 0.052 0.000 1.018 95 V CA -0.477 61.879 62.300 0.092 0.000 0.842 95 V CB 1.521 33.442 31.823 0.164 0.000 0.996 95 V HN 1.023 nan 8.190 nan 0.000 0.426 96 E N 3.734 123.941 120.200 0.012 0.000 2.317 96 E HA 0.859 5.209 4.350 0.000 0.000 0.270 96 E C -1.346 175.240 176.600 -0.023 0.000 0.885 96 E CA -1.310 55.090 56.400 -0.001 0.000 0.760 96 E CB 3.141 32.847 29.700 0.010 0.000 1.227 96 E HN 0.321 nan 8.360 nan 0.000 0.434 97 K N 1.576 121.960 120.400 -0.027 0.000 2.535 97 K HA 0.322 4.642 4.320 0.000 0.000 0.251 97 K C -1.875 174.691 176.600 -0.057 0.000 0.942 97 K CA -0.733 55.525 56.287 -0.049 0.000 0.798 97 K CB 2.291 34.763 32.500 -0.046 0.000 1.267 97 K HN 0.452 nan 8.250 nan 0.000 0.434 98 V N 4.458 124.297 119.914 -0.125 0.000 2.461 98 V HA 0.483 4.603 4.120 0.000 0.000 0.275 98 V C -0.514 175.522 176.094 -0.096 0.000 1.047 98 V CA -0.615 61.553 62.300 -0.219 0.000 0.955 98 V CB 1.350 32.814 31.823 -0.597 0.000 0.988 98 V HN 0.509 nan 8.190 nan 0.000 0.471 99 V N 5.905 125.845 119.914 0.043 0.000 2.638 99 V HA 0.375 4.495 4.120 0.000 0.000 0.306 99 V C -0.216 176.028 176.094 0.250 0.000 1.052 99 V CA -0.861 61.521 62.300 0.137 0.000 0.885 99 V CB 1.802 33.681 31.823 0.094 0.000 0.999 99 V HN 0.717 nan 8.190 nan 0.000 0.424 100 L N 5.508 126.865 121.223 0.223 0.000 2.525 100 L HA 0.280 4.620 4.340 0.000 0.000 0.278 100 L C -0.230 176.560 176.870 -0.134 0.000 1.218 100 L CA 1.018 55.783 54.840 -0.125 0.000 0.878 100 L CB 0.769 42.777 42.059 -0.085 0.000 1.127 100 L HN 0.489 nan 8.230 nan 0.000 0.492 101 V N 4.964 124.730 119.914 -0.247 0.000 2.540 101 V HA 0.415 4.535 4.120 0.000 0.000 0.302 101 V C -0.057 175.957 176.094 -0.133 0.000 1.035 101 V CA -0.500 61.724 62.300 -0.127 0.000 0.873 101 V CB 1.794 33.574 31.823 -0.073 0.000 0.992 101 V HN 0.891 nan 8.190 nan 0.000 0.428 102 S N 4.378 120.026 115.700 -0.087 0.000 2.525 102 S HA 0.437 4.907 4.470 0.000 0.000 0.278 102 S C 0.473 175.050 174.600 -0.038 0.000 1.234 102 S CA -0.708 57.452 58.200 -0.066 0.000 1.058 102 S CB 0.823 63.982 63.200 -0.068 0.000 0.983 102 S HN 0.542 nan 8.310 nan 0.000 0.495 103 L N 3.803 125.013 121.223 -0.021 0.000 2.627 103 L HA 0.277 4.617 4.340 0.000 0.000 0.232 103 L C 0.960 177.835 176.870 0.009 0.000 1.150 103 L CA 0.759 55.595 54.840 -0.006 0.000 0.917 103 L CB -1.467 40.593 42.059 0.001 0.000 1.104 103 L HN 0.708 nan 8.230 nan 0.000 0.445 104 Q N -0.802 119.020 119.800 0.037 0.000 2.288 104 Q HA 0.172 4.512 4.340 0.000 0.000 0.254 104 Q C 0.841 176.837 176.000 -0.006 0.000 0.932 104 Q CA -0.165 55.682 55.803 0.075 0.000 0.902 104 Q CB 1.507 30.375 28.738 0.216 0.000 1.203 104 Q HN 0.098 nan 8.270 nan 0.000 0.415 105 S N 0.737 116.254 115.700 -0.305 0.000 2.503 105 S HA 0.275 4.745 4.470 0.000 0.000 0.215 105 S C 0.574 174.721 174.600 -0.755 0.000 1.003 105 S CA 0.299 58.138 58.200 -0.602 0.000 0.910 105 S CB 0.628 63.131 63.200 -1.161 0.000 0.790 105 S HN 0.922 nan 8.310 nan 0.000 0.514 106 G N 0.368 108.647 108.800 -0.869 0.000 2.286 106 G HA2 0.157 4.117 3.960 0.000 0.000 0.118 106 G HA3 0.157 4.117 3.960 0.000 0.000 0.118 106 G C -1.934 172.491 174.900 -0.792 0.000 1.267 106 G CA -0.873 43.425 45.100 -1.337 0.000 1.171 106 G HN 0.171 nan 8.290 nan 0.000 0.465 107 Y N -0.141 120.033 120.300 -0.210 0.000 2.570 107 Y HA 0.840 5.391 4.550 0.000 0.000 0.345 107 Y C 0.191 175.523 175.900 -0.946 0.000 1.014 107 Y CA -1.140 56.559 58.100 -0.667 0.000 1.063 107 Y CB 1.810 39.877 38.460 -0.655 0.000 1.272 107 Y HN 0.475 nan 8.280 nan 0.000 0.477 108 L N 2.509 122.712 121.223 -1.700 0.000 2.356 108 L HA 0.555 4.895 4.340 0.000 0.000 0.277 108 L C -1.493 174.762 176.870 -1.025 0.000 0.996 108 L CA -0.494 53.708 54.840 -1.063 0.000 0.822 108 L CB 1.216 42.774 42.059 -0.834 0.000 1.256 108 L HN 0.419 nan 8.230 nan 0.000 0.413 109 F N 3.539 123.445 119.950 -0.073 0.000 2.458 109 F HA 0.590 5.118 4.527 0.000 0.000 0.336 109 F C 0.121 176.057 175.800 0.227 0.000 1.114 109 F CA -0.576 57.473 58.000 0.082 0.000 0.987 109 F CB 1.509 40.544 39.000 0.059 0.000 1.130 109 F HN 0.177 nan 8.300 nan 0.000 0.458 110 I N 2.885 123.660 120.570 0.340 0.000 2.406 110 I HA 0.342 4.512 4.170 0.000 0.000 0.290 110 I C -0.690 175.615 176.117 0.313 0.000 0.999 110 I CA -0.664 60.803 61.300 0.278 0.000 1.124 110 I CB 1.853 39.977 38.000 0.206 0.000 1.289 110 I HN 0.567 nan 8.210 nan 0.000 0.441 111 Q N 5.878 125.873 119.800 0.325 0.000 2.331 111 Q HA 0.484 4.825 4.340 0.000 0.000 0.267 111 Q C -0.881 175.275 176.000 0.259 0.000 1.006 111 Q CA -0.650 55.336 55.803 0.306 0.000 0.818 111 Q CB 2.022 31.005 28.738 0.408 0.000 1.276 111 Q HN 0.778 nan 8.270 nan 0.000 0.450 112 T N -0.072 114.623 114.554 0.234 0.000 2.928 112 T HA 0.169 4.519 4.350 0.000 0.000 0.284 112 T C 0.994 175.830 174.700 0.226 0.000 1.008 112 T CA -0.255 61.983 62.100 0.229 0.000 1.057 112 T CB 1.124 70.119 68.868 0.213 0.000 1.018 112 T HN 0.729 nan 8.240 nan 0.000 0.493 113 D N 1.313 121.851 120.400 0.231 0.000 2.117 113 D HA -0.088 4.552 4.640 0.000 0.000 0.197 113 D C 0.440 176.822 176.300 0.137 0.000 0.987 113 D CA 1.141 55.249 54.000 0.179 0.000 0.829 113 D CB 0.151 41.046 40.800 0.158 0.000 0.961 113 D HN 0.591 nan 8.370 nan 0.000 0.460 114 K N -1.012 119.443 120.400 0.092 0.000 2.395 114 K HA 0.319 4.639 4.320 0.000 0.000 0.245 114 K C 0.996 177.574 176.600 -0.036 0.000 1.017 114 K CA -0.190 56.030 56.287 -0.112 0.000 0.852 114 K CB 1.843 34.040 32.500 -0.505 0.000 1.311 114 K HN -0.025 nan 8.250 nan 0.000 0.452 115 T N -1.964 112.584 114.554 -0.011 0.000 3.035 115 T HA 0.187 4.537 4.350 0.000 0.000 0.259 115 T C 0.898 175.639 174.700 0.068 0.000 1.078 115 T CA 0.301 62.464 62.100 0.105 0.000 1.132 115 T CB 0.035 68.997 68.868 0.157 0.000 0.900 115 T HN 0.502 nan 8.240 nan 0.000 0.480 116 I N -0.185 120.263 120.570 -0.204 0.000 2.802 116 I HA 0.616 4.786 4.170 0.000 0.000 0.298 116 I C -2.024 173.919 176.117 -0.289 0.000 1.176 116 I CA -1.672 59.567 61.300 -0.103 0.000 1.025 116 I CB 2.220 40.082 38.000 -0.230 0.000 1.243 116 I HN 0.062 nan 8.210 nan 0.000 0.424 117 Y N 2.694 123.164 120.300 0.284 0.000 2.562 117 Y HA 0.503 5.053 4.550 0.000 0.000 0.345 117 Y C 0.019 176.101 175.900 0.303 0.000 1.045 117 Y CA -0.711 57.555 58.100 0.277 0.000 1.028 117 Y CB 2.254 40.792 38.460 0.130 0.000 1.297 117 Y HN 0.556 nan 8.280 nan 0.000 0.463 118 T N -0.737 113.968 114.554 0.253 0.000 2.918 118 T HA 0.529 4.879 4.350 0.000 0.000 0.283 118 T C -2.859 171.850 174.700 0.014 0.000 1.001 118 T CA -2.524 59.599 62.100 0.038 0.000 1.041 118 T CB 1.420 70.162 68.868 -0.209 0.000 1.028 118 T HN 0.156 nan 8.240 nan 0.000 0.511 119 P HA 0.236 nan 4.420 nan 0.000 0.265 119 P C 1.112 178.350 177.300 -0.104 0.000 1.187 119 P CA 1.171 64.227 63.100 -0.072 0.000 0.766 119 P CB 0.010 31.688 31.700 -0.037 0.000 0.820 120 G N 1.098 109.804 108.800 -0.157 0.000 2.153 120 G HA2 -0.210 3.750 3.960 0.000 0.000 0.252 120 G HA3 -0.210 3.750 3.960 0.000 0.000 0.252 120 G C 0.280 175.094 174.900 -0.144 0.000 0.994 120 G CA 0.393 45.401 45.100 -0.154 0.000 0.698 120 G HN 0.782 nan 8.290 nan 0.000 0.521 121 S N -1.404 114.211 115.700 -0.143 0.000 2.766 121 S HA 0.837 5.307 4.470 0.000 0.000 0.307 121 S C -0.206 174.284 174.600 -0.184 0.000 1.121 121 S CA -0.069 58.069 58.200 -0.102 0.000 0.980 121 S CB 2.201 65.409 63.200 0.014 0.000 1.159 121 S HN 0.491 nan 8.310 nan 0.000 0.546 122 T N 1.679 116.160 114.554 -0.121 0.000 2.758 122 T HA 0.459 4.809 4.350 0.000 0.000 0.285 122 T C -0.474 174.114 174.700 -0.187 0.000 0.981 122 T CA -0.520 61.478 62.100 -0.170 0.000 0.965 122 T CB 0.934 69.746 68.868 -0.094 0.000 0.927 122 T HN 0.512 nan 8.240 nan 0.000 0.448 123 V N 6.005 125.693 119.914 -0.377 0.000 2.387 123 V HA 0.218 4.338 4.120 0.000 0.000 0.260 123 V C 0.269 176.348 176.094 -0.025 0.000 1.054 123 V CA -0.424 61.576 62.300 -0.499 0.000 0.967 123 V CB -0.385 30.904 31.823 -0.889 0.000 1.036 123 V HN 0.701 nan 8.190 nan 0.000 0.481 124 L N 7.543 128.807 121.223 0.068 0.000 2.292 124 L HA 0.633 4.973 4.340 0.000 0.000 0.284 124 L C -0.307 176.698 176.870 0.227 0.000 1.065 124 L CA -0.364 54.551 54.840 0.124 0.000 0.806 124 L CB 0.530 42.635 42.059 0.076 0.000 1.175 124 L HN 0.779 nan 8.230 nan 0.000 0.431 125 Y N 1.009 121.284 120.300 -0.042 0.000 2.638 125 Y HA 0.784 5.334 4.550 0.000 0.000 0.335 125 Y C -1.138 174.715 175.900 -0.079 0.000 1.155 125 Y CA -1.478 56.600 58.100 -0.036 0.000 1.046 125 Y CB 1.642 40.077 38.460 -0.041 0.000 1.303 125 Y HN 0.367 nan 8.280 nan 0.000 0.460 126 R N 1.989 122.465 120.500 -0.040 0.000 2.621 126 R HA 0.612 4.953 4.340 0.000 0.000 0.284 126 R C -1.946 174.173 176.300 -0.300 0.000 0.998 126 R CA -0.930 54.981 56.100 -0.315 0.000 0.895 126 R CB 2.744 32.767 30.300 -0.463 0.000 1.195 126 R HN 0.692 nan 8.270 nan 0.000 0.450 127 I N 2.835 123.189 120.570 -0.359 0.000 2.354 127 I HA 0.325 4.495 4.170 0.000 0.000 0.292 127 I C -0.628 175.253 176.117 -0.393 0.000 0.989 127 I CA -0.324 60.827 61.300 -0.249 0.000 1.188 127 I CB 0.835 38.743 38.000 -0.153 0.000 1.342 127 I HN 0.357 nan 8.210 nan 0.000 0.457 128 F N 3.531 123.487 119.950 0.010 0.000 2.385 128 F HA 0.392 4.919 4.527 0.000 0.000 0.360 128 F C 0.707 176.507 175.800 -0.002 0.000 1.122 128 F CA -0.787 57.234 58.000 0.036 0.000 1.090 128 F CB 1.313 40.382 39.000 0.116 0.000 1.150 128 F HN 0.381 nan 8.300 nan 0.000 0.472 129 T N 1.608 116.239 114.554 0.127 0.000 2.910 129 T HA 0.620 4.970 4.350 0.000 0.000 0.323 129 T C -0.460 174.332 174.700 0.154 0.000 1.091 129 T CA -0.687 61.468 62.100 0.091 0.000 0.960 129 T CB 0.104 69.014 68.868 0.071 0.000 1.024 129 T HN 0.467 nan 8.240 nan 0.000 0.509 130 V N 1.572 121.579 119.914 0.155 0.000 2.815 130 V HA 0.772 4.893 4.120 0.000 0.000 0.314 130 V C 0.003 176.066 176.094 -0.052 0.000 1.064 130 V CA -1.391 60.971 62.300 0.103 0.000 0.952 130 V CB 1.506 33.444 31.823 0.191 0.000 1.020 130 V HN 0.878 nan 8.190 nan 0.000 0.439 131 N N 0.994 119.626 118.700 -0.112 0.000 2.332 131 N HA 0.172 4.912 4.740 0.000 0.000 0.282 131 N C 0.638 175.923 175.510 -0.375 0.000 1.288 131 N CA 0.392 53.268 53.050 -0.291 0.000 0.949 131 N CB -0.470 37.931 38.487 -0.143 0.000 1.108 131 N HN 0.782 nan 8.380 nan 0.000 0.542 132 H N -1.974 116.959 119.070 -0.228 0.000 2.524 132 H HA 0.157 4.713 4.556 0.000 0.000 0.282 132 H C 0.653 176.058 175.328 0.128 0.000 1.016 132 H CA 0.935 56.889 56.048 -0.156 0.000 1.270 132 H CB 0.163 29.858 29.762 -0.111 0.000 1.394 132 H HN 0.510 nan 8.280 nan 0.000 0.568 133 K N 0.434 120.938 120.400 0.174 0.000 2.444 133 K HA 0.146 4.466 4.320 0.000 0.000 0.193 133 K C 0.137 176.850 176.600 0.189 0.000 1.024 133 K CA 0.160 56.558 56.287 0.184 0.000 1.077 133 K CB 0.792 33.359 32.500 0.111 0.000 0.833 133 K HN 0.147 nan 8.250 nan 0.000 0.517 134 L N 0.157 121.490 121.223 0.183 0.000 4.800 134 L HA -0.221 4.119 4.340 0.000 0.000 0.412 134 L C -0.464 176.457 176.870 0.086 0.000 1.063 134 L CA 0.080 55.012 54.840 0.154 0.000 1.114 134 L CB -1.598 40.506 42.059 0.076 0.000 2.089 134 L HN 0.190 nan 8.230 nan 0.000 0.686 135 L N 1.960 123.225 121.223 0.070 0.000 2.350 135 L HA 0.385 4.725 4.340 0.000 0.000 0.275 135 L C -1.558 175.338 176.870 0.043 0.000 1.099 135 L CA -1.704 53.164 54.840 0.048 0.000 0.808 135 L CB 0.666 42.746 42.059 0.036 0.000 1.149 135 L HN -0.230 nan 8.230 nan 0.000 0.442 136 P HA 0.003 nan 4.420 nan 0.000 0.265 136 P C -0.730 176.588 177.300 0.031 0.000 1.193 136 P CA 0.161 63.293 63.100 0.054 0.000 0.765 136 P CB 1.120 32.849 31.700 0.049 0.000 0.823 137 V N 3.175 123.111 119.914 0.037 0.000 2.709 137 V HA 0.606 4.726 4.120 0.000 0.000 0.308 137 V C 0.249 176.364 176.094 0.035 0.000 1.062 137 V CA -0.603 61.704 62.300 0.011 0.000 0.901 137 V CB 2.349 34.149 31.823 -0.037 0.000 1.003 137 V HN 0.698 nan 8.190 nan 0.000 0.425 138 G N 5.682 114.492 108.800 0.016 0.000 2.350 138 G HA2 0.677 4.637 3.960 0.000 0.000 0.306 138 G HA3 0.677 4.637 3.960 0.000 0.000 0.306 138 G C -0.495 174.424 174.900 0.032 0.000 1.094 138 G CA -0.344 44.770 45.100 0.023 0.000 0.953 138 G HN 0.472 nan 8.290 nan 0.000 0.420 139 R N 1.154 121.700 120.500 0.076 0.000 2.764 139 R HA 0.425 4.765 4.340 0.000 0.000 0.270 139 R C -0.620 175.739 176.300 0.099 0.000 1.014 139 R CA -0.748 55.418 56.100 0.109 0.000 0.904 139 R CB 1.324 31.763 30.300 0.231 0.000 1.236 139 R HN 0.456 nan 8.270 nan 0.000 0.466 140 T N 1.199 115.806 114.554 0.087 0.000 2.814 140 T HA 0.323 4.674 4.350 0.000 0.000 0.297 140 T C 0.063 174.784 174.700 0.035 0.000 0.956 140 T CA -0.200 61.924 62.100 0.041 0.000 1.123 140 T CB 0.578 69.461 68.868 0.025 0.000 0.902 140 T HN 0.123 nan 8.240 nan 0.000 0.528 141 V N 5.398 125.268 119.914 -0.073 0.000 2.540 141 V HA 0.431 4.552 4.120 0.000 0.000 0.302 141 V C -0.181 175.761 176.094 -0.253 0.000 1.035 141 V CA -1.007 61.174 62.300 -0.199 0.000 0.873 141 V CB 1.878 33.550 31.823 -0.251 0.000 0.992 141 V HN 0.800 nan 8.190 nan 0.000 0.428 142 M N 5.070 124.397 119.600 -0.455 0.000 2.209 142 M HA 0.580 5.060 4.480 0.000 0.000 0.355 142 M C -0.647 175.420 176.300 -0.390 0.000 1.171 142 M CA -0.469 54.530 55.300 -0.502 0.000 1.069 142 M CB 1.135 33.201 32.600 -0.889 0.000 1.622 142 M HN 0.320 nan 8.290 nan 0.000 0.459 143 V N 3.438 123.240 119.914 -0.187 0.000 2.715 143 V HA 0.581 4.701 4.120 0.000 0.000 0.310 143 V C -0.076 175.997 176.094 -0.035 0.000 1.054 143 V CA -0.835 61.422 62.300 -0.072 0.000 0.928 143 V CB 2.359 34.187 31.823 0.010 0.000 1.007 143 V HN 0.842 nan 8.190 nan 0.000 0.437 144 N N 2.750 121.444 118.700 -0.011 0.000 2.336 144 N HA 0.547 5.287 4.740 0.000 0.000 0.290 144 N C -1.510 173.960 175.510 -0.067 0.000 1.058 144 N CA -0.478 52.556 53.050 -0.026 0.000 0.865 144 N CB 2.773 41.268 38.487 0.013 0.000 1.581 144 N HN 0.519 nan 8.380 nan 0.000 0.480 145 I N 1.908 122.389 120.570 -0.150 0.000 2.321 145 I HA 0.252 4.423 4.170 0.000 0.000 0.291 145 I C 0.080 176.109 176.117 -0.147 0.000 0.998 145 I CA -0.379 60.803 61.300 -0.197 0.000 1.227 145 I CB 1.138 38.843 38.000 -0.492 0.000 1.368 145 I HN 0.265 nan 8.210 nan 0.000 0.466 146 E N 5.239 125.371 120.200 -0.114 0.000 2.195 146 E HA 0.256 4.607 4.350 0.000 0.000 0.271 146 E C -0.739 175.599 176.600 -0.437 0.000 0.923 146 E CA -0.924 55.355 56.400 -0.203 0.000 0.790 146 E CB 1.563 31.155 29.700 -0.180 0.000 1.155 146 E HN 0.563 nan 8.360 nan 0.000 0.402 147 N N 2.180 120.436 118.700 -0.740 0.000 2.328 147 N HA 0.104 4.844 4.740 0.000 0.000 0.277 147 N C -2.054 172.834 175.510 -1.036 0.000 1.286 147 N CA -1.497 50.580 53.050 -1.621 0.000 0.949 147 N CB -0.469 37.223 38.487 -1.324 0.000 1.136 147 N HN 0.038 nan 8.380 nan 0.000 0.550 148 P HA -0.120 nan 4.420 nan 0.000 0.216 148 P C 0.381 177.483 177.300 -0.329 0.000 1.150 148 P CA 1.660 64.443 63.100 -0.528 0.000 0.837 148 P CB -0.068 31.412 31.700 -0.367 0.000 0.786 149 E N -1.352 118.667 120.200 -0.302 0.000 2.437 149 E HA 0.237 4.587 4.350 0.000 0.000 0.189 149 E C 0.928 177.419 176.600 -0.181 0.000 1.054 149 E CA 0.443 56.726 56.400 -0.194 0.000 0.874 149 E CB -0.786 28.828 29.700 -0.145 0.000 1.011 149 E HN 0.119 nan 8.360 nan 0.000 0.474 150 G N 1.416 110.078 108.800 -0.230 0.000 2.141 150 G HA2 -0.209 3.751 3.960 0.000 0.000 0.242 150 G HA3 -0.209 3.751 3.960 0.000 0.000 0.242 150 G C 0.068 174.875 174.900 -0.154 0.000 0.982 150 G CA -0.048 44.945 45.100 -0.178 0.000 0.662 150 G HN 0.265 nan 8.290 nan 0.000 0.527 151 I N 1.710 122.174 120.570 -0.177 0.000 2.371 151 I HA 0.326 4.496 4.170 0.000 0.000 0.290 151 I C -1.941 174.098 176.117 -0.129 0.000 1.028 151 I CA -3.299 57.925 61.300 -0.126 0.000 1.345 151 I CB 0.656 38.595 38.000 -0.103 0.000 1.407 151 I HN -0.130 nan 8.210 nan 0.000 0.501 152 P HA 0.116 nan 4.420 nan 0.000 0.276 152 P C 0.725 178.001 177.300 -0.040 0.000 1.230 152 P CA 0.001 63.061 63.100 -0.067 0.000 0.776 152 P CB 0.969 32.647 31.700 -0.035 0.000 0.888 153 V N 0.111 119.998 119.914 -0.046 0.000 3.480 153 V HA 0.361 4.482 4.120 0.000 0.000 0.263 153 V C 0.369 176.469 176.094 0.009 0.000 1.442 153 V CA 0.595 62.910 62.300 0.026 0.000 1.053 153 V CB -0.192 31.723 31.823 0.153 0.000 0.846 153 V HN 0.350 nan 8.190 nan 0.000 0.440 154 K N 1.785 122.115 120.400 -0.118 0.000 2.464 154 K HA 0.554 4.874 4.320 0.000 0.000 0.253 154 K C -1.659 174.900 176.600 -0.069 0.000 0.933 154 K CA -0.432 55.802 56.287 -0.089 0.000 0.801 154 K CB 2.095 34.443 32.500 -0.252 0.000 1.271 154 K HN 0.500 nan 8.250 nan 0.000 0.430 155 Q N 3.090 122.882 119.800 -0.012 0.000 2.285 155 Q HA 0.389 4.729 4.340 0.000 0.000 0.269 155 Q C -1.309 174.692 176.000 0.001 0.000 1.030 155 Q CA -0.935 54.862 55.803 -0.010 0.000 0.788 155 Q CB 2.411 31.146 28.738 -0.005 0.000 1.266 155 Q HN 0.477 nan 8.270 nan 0.000 0.438 156 D N 1.107 121.503 120.400 -0.007 0.000 2.272 156 D HA 0.442 5.082 4.640 0.000 0.000 0.247 156 D C -0.837 175.432 176.300 -0.052 0.000 0.990 156 D CA -0.373 53.616 54.000 -0.019 0.000 0.931 156 D CB 2.169 42.959 40.800 -0.017 0.000 1.195 156 D HN 0.424 nan 8.370 nan 0.000 0.477 157 S N 1.266 116.935 115.700 -0.051 0.000 2.774 157 S HA 0.509 4.979 4.470 0.000 0.000 0.297 157 S C -1.439 173.126 174.600 -0.059 0.000 1.143 157 S CA -0.613 57.547 58.200 -0.067 0.000 1.090 157 S CB 0.274 63.444 63.200 -0.049 0.000 1.019 157 S HN 0.278 nan 8.310 nan 0.000 0.482 158 L N 3.454 124.633 121.223 -0.073 0.000 2.371 158 L HA 0.751 5.091 4.340 0.000 0.000 0.262 158 L C -0.292 176.543 176.870 -0.057 0.000 1.006 158 L CA -0.167 54.634 54.840 -0.066 0.000 0.818 158 L CB 2.141 44.149 42.059 -0.084 0.000 1.354 158 L HN 0.578 nan 8.230 nan 0.000 0.415 159 S N -0.049 115.625 115.700 -0.042 0.000 2.549 159 S HA 0.549 5.019 4.470 0.000 0.000 0.297 159 S C 0.537 175.117 174.600 -0.033 0.000 1.115 159 S CA 0.098 58.282 58.200 -0.026 0.000 1.059 159 S CB 1.064 64.256 63.200 -0.013 0.000 1.046 159 S HN 0.727 nan 8.310 nan 0.000 0.506 160 S N 2.699 118.389 115.700 -0.017 0.000 2.572 160 S HA 0.220 4.691 4.470 0.000 0.000 0.228 160 S C 0.342 174.938 174.600 -0.007 0.000 0.963 160 S CA -0.384 57.804 58.200 -0.021 0.000 0.939 160 S CB -0.160 63.033 63.200 -0.012 0.000 0.804 160 S HN 0.724 nan 8.310 nan 0.000 0.480 161 Q N 2.507 122.305 119.800 -0.004 0.000 2.315 161 Q HA 0.177 4.517 4.340 0.000 0.000 0.289 161 Q C 0.028 176.022 176.000 -0.010 0.000 1.044 161 Q CA 1.054 56.854 55.803 -0.004 0.000 0.920 161 Q CB -0.309 28.426 28.738 -0.004 0.000 1.214 161 Q HN 0.610 nan 8.270 nan 0.000 0.392 162 N N 2.079 120.774 118.700 -0.008 0.000 2.747 162 N HA -0.279 4.461 4.740 0.000 0.000 0.249 162 N C -0.243 175.259 175.510 -0.013 0.000 1.107 162 N CA 0.664 53.708 53.050 -0.010 0.000 0.707 162 N CB -0.598 37.882 38.487 -0.012 0.000 1.054 162 N HN 0.598 nan 8.380 nan 0.000 0.555 163 Q N 0.082 119.875 119.800 -0.012 0.000 2.113 163 Q HA 0.361 4.701 4.340 0.000 0.000 0.225 163 Q C -0.097 175.898 176.000 -0.008 0.000 0.786 163 Q CA -0.365 55.427 55.803 -0.018 0.000 0.989 163 Q CB 0.637 29.357 28.738 -0.030 0.000 1.174 163 Q HN 0.329 nan 8.270 nan 0.000 0.470 164 L N 0.493 121.718 121.223 0.004 0.000 3.634 164 L HA -0.214 4.126 4.340 0.000 0.000 0.423 164 L C 0.641 177.538 176.870 0.045 0.000 1.253 164 L CA 1.666 56.517 54.840 0.020 0.000 0.885 164 L CB -1.558 40.510 42.059 0.015 0.000 1.789 164 L HN 0.490 nan 8.230 nan 0.000 0.904 165 G N -1.678 107.147 108.800 0.041 0.000 2.155 165 G HA2 -0.237 3.723 3.960 0.000 0.000 0.257 165 G HA3 -0.237 3.723 3.960 0.000 0.000 0.257 165 G C 0.236 175.171 174.900 0.059 0.000 0.983 165 G CA 0.269 45.413 45.100 0.074 0.000 0.676 165 G HN 1.058 nan 8.290 nan 0.000 0.528 166 V N 1.019 120.918 119.914 -0.025 0.000 2.444 166 V HA 0.627 4.747 4.120 0.000 0.000 0.294 166 V C 0.213 176.190 176.094 -0.195 0.000 1.022 166 V CA -0.701 61.499 62.300 -0.166 0.000 0.850 166 V CB 1.784 33.547 31.823 -0.101 0.000 0.992 166 V HN 0.280 nan 8.190 nan 0.000 0.426 167 L N 7.732 128.786 121.223 -0.283 0.000 2.318 167 L HA 0.511 4.851 4.340 0.000 0.000 0.277 167 L C -2.540 174.148 176.870 -0.303 0.000 1.008 167 L CA -1.568 53.128 54.840 -0.240 0.000 0.846 167 L CB 2.425 44.357 42.059 -0.212 0.000 1.220 167 L HN 0.421 nan 8.230 nan 0.000 0.423 168 P HA 0.454 nan 4.420 nan 0.000 0.293 168 P C -0.957 176.149 177.300 -0.323 0.000 1.300 168 P CA -0.260 62.676 63.100 -0.274 0.000 0.792 168 P CB 1.611 33.203 31.700 -0.180 0.000 0.925 169 L N 2.068 122.980 121.223 -0.517 0.000 2.327 169 L HA 0.708 5.048 4.340 0.000 0.000 0.258 169 L C 0.279 176.824 176.870 -0.541 0.000 1.024 169 L CA -0.579 53.891 54.840 -0.618 0.000 0.825 169 L CB 2.355 43.813 42.059 -1.001 0.000 1.386 169 L HN 0.432 nan 8.230 nan 0.000 0.417 170 S N -0.869 114.704 115.700 -0.212 0.000 2.588 170 S HA 0.719 5.189 4.470 0.000 0.000 0.275 170 S C -1.971 172.811 174.600 0.303 0.000 1.130 170 S CA -0.729 57.511 58.200 0.067 0.000 0.855 170 S CB 2.183 65.388 63.200 0.009 0.000 1.116 170 S HN 0.606 nan 8.310 nan 0.000 0.472 171 W N 1.557 122.903 121.300 0.077 0.000 3.097 171 W HA 0.545 5.205 4.660 0.000 0.000 0.335 171 W C -2.041 174.413 176.519 -0.109 0.000 1.114 171 W CA -0.482 56.861 57.345 -0.004 0.000 1.231 171 W CB 1.553 31.016 29.460 0.005 0.000 1.388 171 W HN 0.664 nan 8.180 nan 0.000 0.485 172 D N 6.136 126.105 120.400 -0.720 0.000 2.339 172 D HA 0.232 4.873 4.640 0.000 0.000 0.241 172 D C 0.431 175.908 176.300 -1.373 0.000 1.183 172 D CA 0.126 53.655 54.000 -0.784 0.000 0.859 172 D CB 0.908 41.429 40.800 -0.464 0.000 1.067 172 D HN 0.309 nan 8.370 nan 0.000 0.484 173 I N 3.772 123.656 120.570 -1.144 0.000 2.662 173 I HA 0.026 4.196 4.170 0.000 0.000 0.285 173 I C -1.863 173.906 176.117 -0.580 0.000 1.161 173 I CA -1.400 59.282 61.300 -1.030 0.000 1.415 173 I CB -0.181 37.466 38.000 -0.587 0.000 1.385 173 I HN 0.006 nan 8.210 nan 0.000 0.552 174 P HA -0.035 nan 4.420 nan 0.000 0.267 174 P C 0.534 177.753 177.300 -0.136 0.000 1.201 174 P CA -0.023 62.955 63.100 -0.203 0.000 0.775 174 P CB 0.568 32.226 31.700 -0.070 0.000 0.854 175 E N 0.871 121.017 120.200 -0.089 0.000 2.152 175 E HA -0.052 4.298 4.350 0.000 0.000 0.192 175 E C 0.475 177.066 176.600 -0.016 0.000 0.983 175 E CA 0.945 57.311 56.400 -0.056 0.000 0.818 175 E CB -0.051 29.620 29.700 -0.048 0.000 0.758 175 E HN 0.449 nan 8.360 nan 0.000 0.467 176 L N 1.644 122.868 121.223 0.003 0.000 2.288 176 L HA 0.297 4.637 4.340 0.000 0.000 0.283 176 L C -0.300 176.621 176.870 0.085 0.000 1.072 176 L CA -0.459 54.405 54.840 0.040 0.000 0.862 176 L CB 1.218 43.300 42.059 0.038 0.000 1.245 176 L HN -0.210 nan 8.230 nan 0.000 0.432 177 V N 2.790 122.773 119.914 0.116 0.000 3.048 177 V HA 0.385 4.505 4.120 0.000 0.000 0.303 177 V C -0.744 175.505 176.094 0.259 0.000 1.214 177 V CA -0.792 61.641 62.300 0.222 0.000 0.984 177 V CB 2.870 34.803 31.823 0.183 0.000 1.054 177 V HN 0.612 nan 8.190 nan 0.000 0.430 178 N N 4.480 123.391 118.700 0.353 0.000 2.438 178 N HA 0.244 4.984 4.740 0.000 0.000 0.267 178 N C -0.084 175.667 175.510 0.401 0.000 1.222 178 N CA -0.109 53.109 53.050 0.279 0.000 0.930 178 N CB 0.565 39.138 38.487 0.144 0.000 1.083 178 N HN 0.559 nan 8.380 nan 0.000 0.476 179 M N 1.540 121.297 119.600 0.263 0.000 2.246 179 M HA 0.193 4.673 4.480 0.000 0.000 0.327 179 M C 1.275 177.718 176.300 0.239 0.000 1.090 179 M CA 0.567 56.020 55.300 0.255 0.000 1.087 179 M CB -0.445 32.247 32.600 0.153 0.000 1.587 179 M HN 0.794 nan 8.290 nan 0.000 0.444 180 G N 2.007 110.968 108.800 0.268 0.000 2.270 180 G HA2 -0.002 3.958 3.960 0.000 0.000 0.268 180 G HA3 -0.002 3.958 3.960 0.000 0.000 0.268 180 G C -1.524 173.481 174.900 0.174 0.000 1.312 180 G CA -0.979 44.209 45.100 0.147 0.000 1.050 180 G HN 0.508 nan 8.290 nan 0.000 0.474 181 Q N 0.278 120.086 119.800 0.014 0.000 2.324 181 Q HA 0.345 4.686 4.340 0.000 0.000 0.257 181 Q C -0.727 175.149 176.000 -0.207 0.000 1.080 181 Q CA 0.202 55.979 55.803 -0.042 0.000 0.907 181 Q CB 0.466 29.167 28.738 -0.061 0.000 1.274 181 Q HN 0.399 nan 8.270 nan 0.000 0.434 182 W N 1.989 122.997 121.300 -0.486 0.000 2.332 182 W HA 0.419 5.079 4.660 0.000 0.000 0.351 182 W C 0.667 176.822 176.519 -0.606 0.000 1.195 182 W CA -0.343 56.586 57.345 -0.693 0.000 1.334 182 W CB 0.985 29.661 29.460 -1.307 0.000 1.206 182 W HN 0.171 nan 8.180 nan 0.000 0.637 183 K N 1.786 122.075 120.400 -0.186 0.000 2.468 183 K HA 0.496 4.816 4.320 0.000 0.000 0.252 183 K C -1.414 175.211 176.600 0.041 0.000 0.932 183 K CA -0.802 55.452 56.287 -0.054 0.000 0.794 183 K CB 1.772 34.224 32.500 -0.080 0.000 1.241 183 K HN 0.404 nan 8.250 nan 0.000 0.428 184 I N 3.894 124.519 120.570 0.092 0.000 2.339 184 I HA 0.362 4.532 4.170 0.000 0.000 0.290 184 I C -0.111 176.036 176.117 0.051 0.000 0.994 184 I CA -0.561 60.756 61.300 0.028 0.000 1.191 184 I CB 1.306 39.278 38.000 -0.047 0.000 1.343 184 I HN 0.294 nan 8.210 nan 0.000 0.458 185 R N 5.155 125.681 120.500 0.043 0.000 2.534 185 R HA 0.871 5.211 4.340 0.000 0.000 0.301 185 R C -1.126 175.236 176.300 0.103 0.000 0.961 185 R CA -0.807 55.342 56.100 0.082 0.000 0.871 185 R CB 2.338 32.679 30.300 0.068 0.000 1.170 185 R HN 0.695 nan 8.270 nan 0.000 0.446 186 A N 2.660 125.570 122.820 0.149 0.000 2.520 186 A HA 0.676 4.996 4.320 0.000 0.000 0.298 186 A C -1.722 175.988 177.584 0.209 0.000 1.051 186 A CA -0.760 51.324 52.037 0.078 0.000 0.690 186 A CB 1.220 20.225 19.000 0.008 0.000 1.281 186 A HN 0.755 nan 8.150 nan 0.000 0.402 187 Y N -1.088 119.229 120.300 0.028 0.000 2.571 187 Y HA 0.743 5.293 4.550 0.000 0.000 0.341 187 Y C -1.163 174.737 175.900 -0.001 0.000 1.076 187 Y CA -1.657 56.485 58.100 0.070 0.000 1.029 187 Y CB 0.627 39.136 38.460 0.081 0.000 1.308 187 Y HN 0.587 nan 8.280 nan 0.000 0.461 188 Y N 1.743 122.182 120.300 0.232 0.000 2.411 188 Y HA 0.075 4.625 4.550 0.000 0.000 0.333 188 Y C 1.801 177.805 175.900 0.173 0.000 1.186 188 Y CA 0.275 58.437 58.100 0.104 0.000 1.381 188 Y CB 1.055 39.567 38.460 0.087 0.000 1.273 188 Y HN 0.894 nan 8.280 nan 0.000 0.546 189 E N 1.606 121.945 120.200 0.231 0.000 2.171 189 E HA -0.278 4.072 4.350 0.000 0.000 0.197 189 E C 0.938 177.673 176.600 0.224 0.000 0.997 189 E CA 1.326 57.836 56.400 0.184 0.000 0.810 189 E CB 0.105 29.863 29.700 0.096 0.000 0.738 189 E HN 0.703 nan 8.360 nan 0.000 0.467 190 N N -0.211 118.606 118.700 0.195 0.000 2.373 190 N HA -0.024 4.716 4.740 0.000 0.000 0.181 190 N C -0.102 175.487 175.510 0.131 0.000 1.082 190 N CA 0.550 53.676 53.050 0.127 0.000 0.885 190 N CB 0.854 39.380 38.487 0.065 0.000 0.977 190 N HN -0.019 nan 8.380 nan 0.000 0.462 191 S N 0.414 116.239 115.700 0.208 0.000 2.062 191 S HA 0.295 4.765 4.470 0.000 0.000 0.163 191 S C -2.076 172.617 174.600 0.154 0.000 1.612 191 S CA -1.042 57.256 58.200 0.164 0.000 1.251 191 S CB 1.661 64.967 63.200 0.176 0.000 1.174 191 S HN -0.026 nan 8.310 nan 0.000 0.428 192 P HA -0.181 nan 4.420 nan 0.000 0.228 192 P C 1.278 178.359 177.300 -0.365 0.000 1.151 192 P CA 1.000 63.863 63.100 -0.395 0.000 0.770 192 P CB 0.080 31.586 31.700 -0.323 0.000 0.786 193 Q N -0.502 119.208 119.800 -0.149 0.000 2.311 193 Q HA -0.048 4.293 4.340 0.000 0.000 0.203 193 Q C 1.070 176.999 176.000 -0.118 0.000 0.954 193 Q CA 0.745 56.474 55.803 -0.123 0.000 0.885 193 Q CB -0.265 28.434 28.738 -0.065 0.000 0.963 193 Q HN 0.353 nan 8.270 nan 0.000 0.471 194 Q N 1.369 121.122 119.800 -0.079 0.000 2.425 194 Q HA 0.433 4.773 4.340 0.000 0.000 0.254 194 Q C -1.681 174.191 176.000 -0.215 0.000 1.032 194 Q CA -0.309 55.413 55.803 -0.136 0.000 0.798 194 Q CB 1.486 30.229 28.738 0.009 0.000 1.210 194 Q HN 0.019 nan 8.270 nan 0.000 0.491 195 V N 4.882 124.584 119.914 -0.353 0.000 2.459 195 V HA 0.520 4.640 4.120 0.000 0.000 0.295 195 V C -0.673 175.159 176.094 -0.437 0.000 1.029 195 V CA -0.529 61.649 62.300 -0.203 0.000 0.874 195 V CB 1.232 33.000 31.823 -0.093 0.000 0.985 195 V HN 0.559 nan 8.190 nan 0.000 0.438 196 F N 1.648 121.621 119.950 0.039 0.000 2.480 196 F HA 0.727 5.255 4.527 0.000 0.000 0.329 196 F C 0.579 176.393 175.800 0.023 0.000 1.091 196 F CA -0.393 57.611 58.000 0.006 0.000 0.972 196 F CB 2.120 41.086 39.000 -0.058 0.000 1.150 196 F HN 0.363 nan 8.300 nan 0.000 0.467 197 S N 0.462 116.272 115.700 0.182 0.000 2.541 197 S HA 0.724 5.194 4.470 0.000 0.000 0.280 197 S C -0.789 173.897 174.600 0.144 0.000 1.112 197 S CA -0.862 57.414 58.200 0.126 0.000 0.925 197 S CB 2.016 65.255 63.200 0.067 0.000 1.067 197 S HN 0.551 nan 8.310 nan 0.000 0.479 198 T N 2.032 116.672 114.554 0.143 0.000 2.912 198 T HA 0.499 4.849 4.350 0.000 0.000 0.288 198 T C -0.686 174.110 174.700 0.160 0.000 1.030 198 T CA -0.900 61.296 62.100 0.161 0.000 1.020 198 T CB 1.373 70.358 68.868 0.195 0.000 1.056 198 T HN 0.516 nan 8.240 nan 0.000 0.480 199 E N 1.216 121.509 120.200 0.155 0.000 2.214 199 E HA 0.590 4.940 4.350 0.000 0.000 0.274 199 E C -1.076 175.690 176.600 0.277 0.000 0.977 199 E CA -0.697 55.783 56.400 0.132 0.000 0.827 199 E CB 1.539 31.276 29.700 0.061 0.000 1.130 199 E HN 0.611 nan 8.360 nan 0.000 0.394 200 F N -1.005 119.055 119.950 0.183 0.000 2.588 200 F HA 0.520 5.047 4.527 0.000 0.000 0.314 200 F C -0.409 175.558 175.800 0.278 0.000 1.069 200 F CA -1.259 56.887 58.000 0.242 0.000 0.931 200 F CB 1.158 40.358 39.000 0.334 0.000 1.260 200 F HN 0.255 nan 8.300 nan 0.000 0.465 201 E N 1.979 122.399 120.200 0.367 0.000 2.197 201 E HA 0.559 4.909 4.350 0.000 0.000 0.281 201 E C -1.553 175.271 176.600 0.373 0.000 0.995 201 E CA -0.829 55.725 56.400 0.256 0.000 0.808 201 E CB 1.710 31.501 29.700 0.152 0.000 1.093 201 E HN 0.654 nan 8.360 nan 0.000 0.394 202 V N 5.017 125.119 119.914 0.313 0.000 2.472 202 V HA 0.535 4.655 4.120 0.000 0.000 0.290 202 V C -0.157 176.092 176.094 0.258 0.000 1.037 202 V CA -0.479 61.986 62.300 0.275 0.000 0.908 202 V CB 1.381 33.253 31.823 0.082 0.000 0.985 202 V HN 0.706 nan 8.190 nan 0.000 0.454 203 K N 2.821 123.382 120.400 0.270 0.000 2.636 203 K HA 0.291 4.611 4.320 0.000 0.000 0.268 203 K C -1.253 175.524 176.600 0.295 0.000 0.958 203 K CA -0.639 55.804 56.287 0.260 0.000 0.875 203 K CB 1.979 34.623 32.500 0.240 0.000 1.382 203 K HN 0.784 nan 8.250 nan 0.000 0.405 204 E N 3.108 123.412 120.200 0.172 0.000 2.259 204 E HA 0.256 4.606 4.350 0.000 0.000 0.281 204 E C -1.076 175.603 176.600 0.132 0.000 1.037 204 E CA -0.210 56.224 56.400 0.057 0.000 0.854 204 E CB 0.540 30.256 29.700 0.027 0.000 1.051 204 E HN 0.448 nan 8.360 nan 0.000 0.409 205 Y N -0.946 119.358 120.300 0.007 0.000 2.702 205 Y HA 0.512 5.062 4.550 0.000 0.000 0.336 205 Y C -1.429 174.465 175.900 -0.010 0.000 1.203 205 Y CA -1.434 56.664 58.100 -0.004 0.000 1.072 205 Y CB 0.485 38.939 38.460 -0.010 0.000 1.327 205 Y HN 0.213 nan 8.280 nan 0.000 0.456 206 V N 0.165 120.174 119.914 0.157 0.000 2.864 206 V HA 0.685 4.805 4.120 0.000 0.000 0.314 206 V C -0.619 175.609 176.094 0.223 0.000 1.073 206 V CA -1.178 61.188 62.300 0.110 0.000 0.956 206 V CB 1.640 33.488 31.823 0.042 0.000 1.023 206 V HN 0.823 nan 8.190 nan 0.000 0.435 207 L N 5.014 126.336 121.223 0.166 0.000 2.490 207 L HA 0.422 4.762 4.340 0.000 0.000 0.274 207 L C -1.665 175.240 176.870 0.059 0.000 1.201 207 L CA -0.728 54.173 54.840 0.102 0.000 0.869 207 L CB -0.257 41.840 42.059 0.064 0.000 1.123 207 L HN 0.715 nan 8.230 nan 0.000 0.484 208 P HA 0.248 nan 4.420 nan 0.000 0.278 208 P C -0.081 177.246 177.300 0.044 0.000 1.258 208 P CA -0.488 62.596 63.100 -0.026 0.000 0.811 208 P CB 0.924 32.504 31.700 -0.199 0.000 1.063 209 S N -0.295 115.510 115.700 0.175 0.000 2.503 209 S HA 0.184 4.654 4.470 0.000 0.000 0.215 209 S C 0.564 175.406 174.600 0.403 0.000 1.003 209 S CA -0.241 58.169 58.200 0.350 0.000 0.910 209 S CB -0.801 62.703 63.200 0.507 0.000 0.790 209 S HN 0.558 nan 8.310 nan 0.000 0.514 210 F N 1.240 121.199 119.950 0.014 0.000 2.620 210 F HA 0.855 5.382 4.527 0.000 0.000 0.320 210 F C -0.768 174.964 175.800 -0.112 0.000 1.069 210 F CA -1.394 56.515 58.000 -0.151 0.000 0.953 210 F CB 1.036 39.756 39.000 -0.467 0.000 1.322 210 F HN 0.070 nan 8.300 nan 0.000 0.479 211 E N 0.582 120.742 120.200 -0.067 0.000 2.212 211 E HA 0.691 5.041 4.350 0.000 0.000 0.270 211 E C -1.696 174.885 176.600 -0.032 0.000 0.956 211 E CA -1.209 55.116 56.400 -0.125 0.000 0.825 211 E CB 2.474 32.142 29.700 -0.053 0.000 1.167 211 E HN 0.502 nan 8.360 nan 0.000 0.400 212 V N 3.262 123.132 119.914 -0.074 0.000 2.409 212 V HA 0.368 4.488 4.120 0.000 0.000 0.291 212 V C -0.406 175.672 176.094 -0.026 0.000 1.020 212 V CA -0.616 61.675 62.300 -0.014 0.000 0.848 212 V CB 1.046 32.864 31.823 -0.008 0.000 0.990 212 V HN 0.646 nan 8.190 nan 0.000 0.430 213 I N 5.274 125.834 120.570 -0.015 0.000 2.378 213 I HA 0.515 4.685 4.170 0.000 0.000 0.291 213 I C -0.366 175.738 176.117 -0.020 0.000 0.992 213 I CA -0.851 60.439 61.300 -0.018 0.000 1.154 213 I CB 2.087 40.079 38.000 -0.013 0.000 1.315 213 I HN 0.486 nan 8.210 nan 0.000 0.448 214 V N 4.469 124.369 119.914 -0.024 0.000 2.326 214 V HA 0.527 4.648 4.120 0.000 0.000 0.281 214 V C -0.672 175.410 176.094 -0.020 0.000 1.015 214 V CA -0.148 62.134 62.300 -0.031 0.000 0.823 214 V CB 1.209 33.000 31.823 -0.053 0.000 1.009 214 V HN 0.783 nan 8.190 nan 0.000 0.436 215 E N 8.678 128.870 120.200 -0.014 0.000 2.102 215 E HA 0.461 4.811 4.350 0.000 0.000 0.263 215 E C -2.674 173.925 176.600 -0.003 0.000 0.894 215 E CA -2.002 54.394 56.400 -0.007 0.000 0.746 215 E CB 1.847 31.544 29.700 -0.006 0.000 1.129 215 E HN 0.646 nan 8.360 nan 0.000 0.416 216 P HA -0.086 nan 4.420 nan 0.000 0.269 216 P C 0.819 178.105 177.300 -0.024 0.000 1.215 216 P CA -0.032 63.070 63.100 0.003 0.000 0.780 216 P CB 0.974 32.679 31.700 0.008 0.000 0.898 217 T N -2.067 112.465 114.554 -0.036 0.000 3.055 217 T HA 0.021 4.371 4.350 0.000 0.000 0.265 217 T C 0.505 175.145 174.700 -0.099 0.000 1.111 217 T CA 0.731 62.801 62.100 -0.050 0.000 1.118 217 T CB -0.085 68.761 68.868 -0.037 0.000 0.909 217 T HN 0.380 nan 8.240 nan 0.000 0.501 218 E N 0.476 120.571 120.200 -0.174 0.000 2.312 218 E HA 0.363 4.713 4.350 0.000 0.000 0.267 218 E C -0.460 175.981 176.600 -0.266 0.000 0.894 218 E CA -0.737 55.461 56.400 -0.336 0.000 0.773 218 E CB 2.080 31.318 29.700 -0.770 0.000 1.241 218 E HN 0.186 nan 8.360 nan 0.000 0.432 219 K N 1.080 121.386 120.400 -0.157 0.000 2.546 219 K HA 0.136 4.456 4.320 0.000 0.000 0.198 219 K C -0.179 176.515 176.600 0.156 0.000 1.028 219 K CA 0.323 56.631 56.287 0.035 0.000 1.150 219 K CB -0.369 32.202 32.500 0.117 0.000 0.876 219 K HN 0.270 nan 8.250 nan 0.000 0.508 220 F N -3.307 116.676 119.950 0.054 0.000 2.711 220 F HA 0.403 4.930 4.527 0.000 0.000 0.313 220 F C -1.357 174.533 175.800 0.150 0.000 1.141 220 F CA -1.902 56.140 58.000 0.069 0.000 0.941 220 F CB 0.697 39.700 39.000 0.005 0.000 1.349 220 F HN -0.240 nan 8.300 nan 0.000 0.464 221 Y N 2.340 122.769 120.300 0.214 0.000 2.328 221 Y HA 0.475 5.025 4.550 0.000 0.000 0.336 221 Y C -1.444 174.634 175.900 0.297 0.000 0.960 221 Y CA -1.946 56.241 58.100 0.145 0.000 1.134 221 Y CB 0.866 39.349 38.460 0.038 0.000 1.166 221 Y HN 0.691 nan 8.280 nan 0.000 0.464 222 Y N 7.966 127.966 120.300 -0.501 0.000 2.404 222 Y HA 0.250 4.800 4.550 0.000 0.000 0.344 222 Y C 0.712 176.020 175.900 -0.988 0.000 0.995 222 Y CA -1.606 56.205 58.100 -0.481 0.000 1.201 222 Y CB 0.452 38.834 38.460 -0.130 0.000 1.151 222 Y HN 0.679 nan 8.280 nan 0.000 0.517 223 I N 3.687 123.689 120.570 -0.946 0.000 2.530 223 I HA -0.266 3.904 4.170 0.000 0.000 0.257 223 I C 0.558 176.066 176.117 -1.015 0.000 1.179 223 I CA 1.355 62.074 61.300 -0.969 0.000 1.440 223 I CB -1.164 36.351 38.000 -0.807 0.000 1.087 223 I HN 0.502 nan 8.210 nan 0.000 0.440 224 Y N 0.428 120.080 120.300 -1.080 0.000 2.625 224 Y HA 0.333 4.883 4.550 0.000 0.000 0.285 224 Y C 0.727 176.258 175.900 -0.615 0.000 1.168 224 Y CA -1.225 56.410 58.100 -0.774 0.000 1.250 224 Y CB -0.968 37.097 38.460 -0.658 0.000 1.130 224 Y HN 0.088 nan 8.280 nan 0.000 0.526 225 N N 1.734 120.160 118.700 -0.457 0.000 2.439 225 N HA 0.013 4.753 4.740 0.000 0.000 0.243 225 N C 0.688 176.231 175.510 0.054 0.000 1.088 225 N CA 0.241 53.250 53.050 -0.069 0.000 0.940 225 N CB 0.516 39.025 38.487 0.037 0.000 1.180 225 N HN 0.369 nan 8.380 nan 0.000 0.505 226 E N 2.073 122.298 120.200 0.043 0.000 2.273 226 E HA -0.213 4.137 4.350 0.000 0.000 0.198 226 E C 0.797 177.421 176.600 0.041 0.000 1.002 226 E CA 1.284 57.708 56.400 0.039 0.000 0.828 226 E CB 0.232 29.948 29.700 0.028 0.000 0.747 226 E HN 0.554 nan 8.360 nan 0.000 0.491 227 K N -0.337 120.099 120.400 0.059 0.000 2.366 227 K HA 0.055 4.375 4.320 0.000 0.000 0.198 227 K C 0.825 177.432 176.600 0.011 0.000 1.044 227 K CA 0.420 56.728 56.287 0.035 0.000 0.973 227 K CB 0.326 32.851 32.500 0.040 0.000 0.767 227 K HN 0.230 nan 8.250 nan 0.000 0.475 228 G N 0.997 109.835 108.800 0.063 0.000 2.642 228 G HA2 -0.278 3.682 3.960 0.000 0.000 0.231 228 G HA3 -0.278 3.682 3.960 0.000 0.000 0.231 228 G C -1.259 173.545 174.900 -0.161 0.000 1.338 228 G CA -0.427 44.608 45.100 -0.109 0.000 0.883 228 G HN 0.148 nan 8.290 nan 0.000 0.570 229 L N 1.453 122.421 121.223 -0.424 0.000 2.259 229 L HA 0.608 4.948 4.340 0.000 0.000 0.288 229 L C 0.468 177.265 176.870 -0.122 0.000 1.051 229 L CA -0.288 54.391 54.840 -0.268 0.000 0.824 229 L CB 0.419 42.275 42.059 -0.338 0.000 1.206 229 L HN 0.563 nan 8.230 nan 0.000 0.429 230 E N 4.022 124.201 120.200 -0.035 0.000 2.216 230 E HA 0.564 4.915 4.350 0.000 0.000 0.279 230 E C -1.162 175.462 176.600 0.039 0.000 0.997 230 E CA -0.676 55.724 56.400 0.001 0.000 0.817 230 E CB 2.238 31.933 29.700 -0.008 0.000 1.096 230 E HN 0.385 nan 8.360 nan 0.000 0.393 231 V N 2.530 122.485 119.914 0.069 0.000 2.686 231 V HA 0.265 4.385 4.120 0.000 0.000 0.306 231 V C -0.318 175.795 176.094 0.032 0.000 1.065 231 V CA -0.799 61.539 62.300 0.065 0.000 0.894 231 V CB 2.379 34.272 31.823 0.116 0.000 1.004 231 V HN 0.698 nan 8.190 nan 0.000 0.424 232 T N 5.706 120.265 114.554 0.009 0.000 2.867 232 T HA 0.629 4.979 4.350 0.000 0.000 0.282 232 T C -0.442 174.250 174.700 -0.013 0.000 1.000 232 T CA -0.339 61.759 62.100 -0.003 0.000 1.042 232 T CB 1.052 69.916 68.868 -0.007 0.000 0.973 232 T HN 0.314 nan 8.240 nan 0.000 0.465 233 I N 3.114 123.672 120.570 -0.020 0.000 2.378 233 I HA 0.363 4.534 4.170 0.000 0.000 0.291 233 I C 0.282 176.381 176.117 -0.029 0.000 0.992 233 I CA -0.567 60.717 61.300 -0.027 0.000 1.154 233 I CB 1.294 39.275 38.000 -0.033 0.000 1.315 233 I HN 0.574 nan 8.210 nan 0.000 0.448 234 T N 5.296 119.836 114.554 -0.025 0.000 2.807 234 T HA 0.749 5.100 4.350 0.000 0.000 0.279 234 T C -0.197 174.489 174.700 -0.023 0.000 0.993 234 T CA -0.588 61.494 62.100 -0.029 0.000 0.970 234 T CB 1.978 70.832 68.868 -0.023 0.000 0.950 234 T HN 0.705 nan 8.240 nan 0.000 0.441 235 A N 4.000 126.790 122.820 -0.050 0.000 2.332 235 A HA 0.805 5.125 4.320 0.000 0.000 0.300 235 A C -0.227 177.275 177.584 -0.138 0.000 1.153 235 A CA -1.057 50.955 52.037 -0.043 0.000 0.764 235 A CB 0.875 19.825 19.000 -0.083 0.000 1.174 235 A HN 0.907 nan 8.150 nan 0.000 0.467 236 R N 1.270 121.706 120.500 -0.106 0.000 2.725 236 R HA 0.743 5.083 4.340 0.000 0.000 0.277 236 R C -1.540 174.642 176.300 -0.197 0.000 0.987 236 R CA -0.732 55.260 56.100 -0.180 0.000 0.901 236 R CB 0.925 31.181 30.300 -0.074 0.000 1.207 236 R HN 0.305 nan 8.270 nan 0.000 0.463 237 F N 1.879 121.716 119.950 -0.189 0.000 2.506 237 F HA 0.105 4.632 4.527 0.000 0.000 0.351 237 F C 1.758 177.320 175.800 -0.397 0.000 1.136 237 F CA -0.290 57.479 58.000 -0.385 0.000 1.298 237 F CB 0.459 38.856 39.000 -1.005 0.000 1.145 237 F HN 0.458 nan 8.300 nan 0.000 0.593 238 L N 2.008 123.203 121.223 -0.047 0.000 2.261 238 L HA -0.263 4.077 4.340 0.000 0.000 0.216 238 L C 1.639 178.540 176.870 0.052 0.000 1.114 238 L CA 1.233 56.088 54.840 0.025 0.000 0.777 238 L CB -0.763 41.355 42.059 0.098 0.000 0.910 238 L HN 0.745 nan 8.230 nan 0.000 0.440 239 Y N -2.264 118.131 120.300 0.159 0.000 2.490 239 Y HA 0.515 5.065 4.550 0.000 0.000 0.281 239 Y C 1.568 177.530 175.900 0.102 0.000 1.174 239 Y CA 0.086 58.248 58.100 0.102 0.000 1.295 239 Y CB -0.186 38.311 38.460 0.062 0.000 1.062 239 Y HN 0.029 nan 8.280 nan 0.000 0.522 240 G N -0.234 108.554 108.800 -0.020 0.000 3.180 240 G HA2 -0.173 3.787 3.960 0.000 0.000 0.197 240 G HA3 -0.173 3.787 3.960 0.000 0.000 0.197 240 G C 0.188 175.111 174.900 0.038 0.000 1.149 240 G CA -0.615 44.515 45.100 0.049 0.000 0.847 240 G HN 0.067 nan 8.290 nan 0.000 0.469 241 K N 1.564 122.004 120.400 0.067 0.000 2.276 241 K HA 0.373 4.693 4.320 0.000 0.000 0.259 241 K C 0.343 177.043 176.600 0.166 0.000 1.001 241 K CA 0.081 56.464 56.287 0.160 0.000 0.927 241 K CB 0.627 33.277 32.500 0.250 0.000 0.969 241 K HN 0.409 nan 8.250 nan 0.000 0.490 242 K N 0.534 121.007 120.400 0.122 0.000 2.185 242 K HA 0.218 4.538 4.320 0.000 0.000 0.271 242 K C -0.224 176.369 176.600 -0.012 0.000 1.013 242 K CA -0.546 55.751 56.287 0.017 0.000 0.943 242 K CB 0.941 33.445 32.500 0.007 0.000 0.998 242 K HN 0.152 nan 8.250 nan 0.000 0.468 243 V N 3.135 122.899 119.914 -0.250 0.000 2.509 243 V HA 0.104 4.224 4.120 0.000 0.000 0.284 243 V C -0.055 175.892 176.094 -0.245 0.000 1.047 243 V CA -0.490 61.555 62.300 -0.425 0.000 0.952 243 V CB 1.349 32.698 31.823 -0.789 0.000 0.988 243 V HN 0.657 nan 8.190 nan 0.000 0.469 244 E N 3.059 123.143 120.200 -0.194 0.000 2.166 244 E HA 0.747 5.097 4.350 0.000 0.000 0.275 244 E C 0.239 176.567 176.600 -0.453 0.000 0.941 244 E CA -0.061 56.198 56.400 -0.234 0.000 0.784 244 E CB 1.994 31.657 29.700 -0.062 0.000 1.115 244 E HN 0.922 nan 8.360 nan 0.000 0.399 245 G N 1.053 109.420 108.800 -0.722 0.000 2.341 245 G HA2 0.363 4.323 3.960 0.000 0.000 0.299 245 G HA3 0.363 4.323 3.960 0.000 0.000 0.299 245 G C -1.215 173.327 174.900 -0.596 0.000 1.274 245 G CA -0.528 44.126 45.100 -0.743 0.000 0.853 245 G HN 0.309 nan 8.290 nan 0.000 0.493 246 T N 0.248 114.630 114.554 -0.286 0.000 2.861 246 T HA 0.737 5.087 4.350 0.000 0.000 0.287 246 T C -0.172 174.387 174.700 -0.236 0.000 1.003 246 T CA 0.295 62.262 62.100 -0.222 0.000 0.977 246 T CB 1.555 70.337 68.868 -0.144 0.000 0.996 246 T HN 1.334 nan 8.240 nan 0.000 0.448 247 A N 2.720 125.361 122.820 -0.298 0.000 2.330 247 A HA 0.844 5.164 4.320 0.000 0.000 0.327 247 A C -1.036 176.295 177.584 -0.421 0.000 1.155 247 A CA -0.669 51.240 52.037 -0.213 0.000 0.803 247 A CB 0.378 19.318 19.000 -0.101 0.000 1.208 247 A HN 0.766 nan 8.150 nan 0.000 0.477 248 F N 2.202 122.156 119.950 0.006 0.000 2.361 248 F HA 0.500 5.027 4.527 0.000 0.000 0.364 248 F C 0.277 176.070 175.800 -0.012 0.000 1.117 248 F CA -0.748 57.256 58.000 0.007 0.000 1.071 248 F CB 1.935 40.944 39.000 0.014 0.000 1.188 248 F HN 0.390 nan 8.300 nan 0.000 0.464 249 V N 6.231 126.208 119.914 0.104 0.000 2.540 249 V HA 0.706 4.826 4.120 0.000 0.000 0.302 249 V C -1.269 174.835 176.094 0.016 0.000 1.035 249 V CA -0.617 61.685 62.300 0.003 0.000 0.873 249 V CB 1.648 33.416 31.823 -0.092 0.000 0.992 249 V HN 0.789 nan 8.190 nan 0.000 0.428 250 I N 5.879 126.415 120.570 -0.057 0.000 2.608 250 I HA 0.639 4.809 4.170 0.000 0.000 0.295 250 I C -1.249 174.789 176.117 -0.132 0.000 1.049 250 I CA -0.795 60.523 61.300 0.030 0.000 1.063 250 I CB 2.040 40.086 38.000 0.077 0.000 1.248 250 I HN 0.717 nan 8.210 nan 0.000 0.424 251 F N 4.030 123.912 119.950 -0.113 0.000 2.509 251 F HA 0.849 5.376 4.527 0.000 0.000 0.334 251 F C 0.817 176.345 175.800 -0.453 0.000 1.060 251 F CA -0.345 57.494 58.000 -0.269 0.000 0.997 251 F CB 1.917 40.775 39.000 -0.237 0.000 1.271 251 F HN 0.453 nan 8.300 nan 0.000 0.488 252 G N 0.164 108.517 108.800 -0.744 0.000 2.663 252 G HA2 0.674 4.634 3.960 0.000 0.000 0.299 252 G HA3 0.674 4.634 3.960 0.000 0.000 0.299 252 G C -2.028 172.489 174.900 -0.638 0.000 1.372 252 G CA -0.800 43.823 45.100 -0.795 0.000 0.781 252 G HN 0.497 nan 8.290 nan 0.000 0.491 253 I N 0.401 120.858 120.570 -0.188 0.000 2.465 253 I HA 0.419 4.589 4.170 0.000 0.000 0.291 253 I C -0.209 176.025 176.117 0.194 0.000 1.014 253 I CA -0.574 60.730 61.300 0.007 0.000 1.093 253 I CB 2.248 40.254 38.000 0.009 0.000 1.267 253 I HN 0.460 nan 8.210 nan 0.000 0.431 254 Q N 4.846 124.782 119.800 0.227 0.000 2.293 254 Q HA 0.480 4.820 4.340 0.000 0.000 0.261 254 Q C -1.680 174.388 176.000 0.114 0.000 0.960 254 Q CA -0.507 55.414 55.803 0.196 0.000 0.882 254 Q CB 1.991 30.850 28.738 0.201 0.000 1.275 254 Q HN 0.642 nan 8.270 nan 0.000 0.445 255 D N 1.843 122.294 120.400 0.085 0.000 2.931 255 D HA 0.331 4.971 4.640 0.000 0.000 0.215 255 D C -0.051 176.277 176.300 0.047 0.000 1.297 255 D CA -0.286 53.750 54.000 0.061 0.000 0.892 255 D CB 1.358 42.190 40.800 0.052 0.000 1.642 255 D HN 0.578 nan 8.370 nan 0.000 0.560 256 G N 2.072 110.895 108.800 0.038 0.000 2.603 256 G HA2 -0.035 3.925 3.960 0.000 0.000 0.214 256 G HA3 -0.035 3.925 3.960 0.000 0.000 0.214 256 G C 0.787 175.706 174.900 0.032 0.000 1.140 256 G CA 0.305 45.428 45.100 0.040 0.000 0.800 256 G HN 0.470 nan 8.290 nan 0.000 0.533 257 E N -0.523 119.691 120.200 0.023 0.000 2.307 257 E HA 0.132 4.482 4.350 0.000 0.000 0.195 257 E C 1.279 177.885 176.600 0.009 0.000 0.975 257 E CA -0.089 56.318 56.400 0.011 0.000 0.878 257 E CB 0.194 29.898 29.700 0.006 0.000 0.845 257 E HN 0.435 nan 8.360 nan 0.000 0.488 258 Q N 1.466 121.281 119.800 0.024 0.000 2.230 258 Q HA 0.312 4.652 4.340 0.000 0.000 0.253 258 Q C -0.724 175.312 176.000 0.060 0.000 0.919 258 Q CA -0.494 55.327 55.803 0.030 0.000 0.908 258 Q CB 0.875 29.632 28.738 0.032 0.000 1.245 258 Q HN -0.011 nan 8.270 nan 0.000 0.437 259 R N 3.156 123.697 120.500 0.067 0.000 2.562 259 R HA 0.533 4.873 4.340 0.000 0.000 0.298 259 R C -0.714 175.686 176.300 0.166 0.000 0.961 259 R CA -0.831 55.366 56.100 0.161 0.000 0.881 259 R CB 1.377 31.729 30.300 0.087 0.000 1.159 259 R HN 0.551 nan 8.270 nan 0.000 0.450 260 I N 1.840 122.527 120.570 0.194 0.000 2.382 260 I HA 0.150 4.321 4.170 0.000 0.000 0.285 260 I C 0.512 176.701 176.117 0.121 0.000 1.007 260 I CA -0.429 60.945 61.300 0.123 0.000 1.142 260 I CB 1.295 39.337 38.000 0.069 0.000 1.289 260 I HN 0.563 nan 8.210 nan 0.000 0.453 261 S N 6.479 122.259 115.700 0.135 0.000 2.560 261 S HA 0.343 4.813 4.470 0.000 0.000 0.284 261 S C 0.026 174.645 174.600 0.032 0.000 1.327 261 S CA -0.200 58.061 58.200 0.101 0.000 1.055 261 S CB 0.290 63.558 63.200 0.113 0.000 0.868 261 S HN 0.441 nan 8.310 nan 0.000 0.506 262 L N 7.506 128.731 121.223 0.003 0.000 2.360 262 L HA 0.325 4.665 4.340 0.000 0.000 0.265 262 L C -1.349 175.535 176.870 0.023 0.000 1.066 262 L CA -1.653 53.186 54.840 -0.002 0.000 0.929 262 L CB 1.251 43.289 42.059 -0.036 0.000 1.306 262 L HN 0.589 nan 8.230 nan 0.000 0.434 263 P HA -0.186 nan 4.420 nan 0.000 0.220 263 P C 1.001 178.320 177.300 0.030 0.000 1.148 263 P CA 1.078 64.198 63.100 0.034 0.000 0.803 263 P CB 0.443 32.160 31.700 0.027 0.000 0.782 264 E N 0.330 120.538 120.200 0.013 0.000 2.427 264 E HA -0.051 4.299 4.350 0.000 0.000 0.196 264 E C 1.553 178.154 176.600 0.002 0.000 1.028 264 E CA 0.648 57.050 56.400 0.003 0.000 0.864 264 E CB 0.051 29.743 29.700 -0.014 0.000 0.813 264 E HN 0.286 nan 8.360 nan 0.000 0.514 265 S N -0.066 115.644 115.700 0.017 0.000 2.548 265 S HA 0.012 4.483 4.470 0.000 0.000 0.215 265 S C 0.690 175.367 174.600 0.127 0.000 0.976 265 S CA -0.477 57.742 58.200 0.032 0.000 0.908 265 S CB -0.039 63.181 63.200 0.033 0.000 0.781 265 S HN 0.126 nan 8.310 nan 0.000 0.519 266 L N 3.251 124.539 121.223 0.109 0.000 2.462 266 L HA 0.374 4.714 4.340 0.000 0.000 0.272 266 L C -0.462 176.475 176.870 0.112 0.000 1.166 266 L CA 0.580 55.496 54.840 0.127 0.000 0.880 266 L CB 0.128 42.253 42.059 0.110 0.000 1.142 266 L HN 0.049 nan 8.230 nan 0.000 0.473 267 K N 5.473 125.945 120.400 0.119 0.000 2.375 267 K HA 0.437 4.757 4.320 0.000 0.000 0.249 267 K C -1.041 175.576 176.600 0.028 0.000 0.942 267 K CA -0.786 55.542 56.287 0.070 0.000 0.806 267 K CB 2.322 34.861 32.500 0.064 0.000 1.227 267 K HN 0.611 nan 8.250 nan 0.000 0.430 268 R N 3.083 123.559 120.500 -0.041 0.000 2.295 268 R HA 0.471 4.811 4.340 0.000 0.000 0.324 268 R C -0.421 175.763 176.300 -0.193 0.000 0.968 268 R CA -0.462 55.499 56.100 -0.232 0.000 0.837 268 R CB 0.420 30.575 30.300 -0.241 0.000 1.133 268 R HN 0.741 nan 8.270 nan 0.000 0.450 269 I N 1.264 121.697 120.570 -0.228 0.000 2.785 269 I HA 0.655 4.826 4.170 0.000 0.000 0.302 269 I C -2.616 173.409 176.117 -0.153 0.000 1.069 269 I CA -3.158 58.057 61.300 -0.142 0.000 1.045 269 I CB 2.583 40.531 38.000 -0.086 0.000 1.236 269 I HN 0.448 nan 8.210 nan 0.000 0.429 270 P HA 0.189 nan 4.420 nan 0.000 0.276 270 P C -0.641 176.594 177.300 -0.109 0.000 1.243 270 P CA 0.017 63.069 63.100 -0.080 0.000 0.768 270 P CB 0.728 32.420 31.700 -0.013 0.000 0.856 271 I N 3.781 124.250 120.570 -0.169 0.000 2.347 271 I HA 0.198 4.368 4.170 0.000 0.000 0.294 271 I C 0.935 176.957 176.117 -0.157 0.000 1.090 271 I CA 0.107 61.309 61.300 -0.164 0.000 1.314 271 I CB -0.753 37.124 38.000 -0.204 0.000 1.423 271 I HN 0.308 nan 8.210 nan 0.000 0.503 272 E N 4.854 124.999 120.200 -0.093 0.000 2.158 272 E HA 0.175 4.525 4.350 0.000 0.000 0.271 272 E C -0.390 176.180 176.600 -0.050 0.000 0.911 272 E CA -0.499 55.866 56.400 -0.058 0.000 0.767 272 E CB 1.257 30.941 29.700 -0.026 0.000 1.120 272 E HN 0.397 nan 8.360 nan 0.000 0.405 273 D N 2.451 122.827 120.400 -0.040 0.000 2.800 273 D HA -0.178 4.463 4.640 0.000 0.000 0.232 273 D C 0.587 176.861 176.300 -0.043 0.000 1.137 273 D CA 1.646 55.630 54.000 -0.027 0.000 0.718 273 D CB -1.145 39.647 40.800 -0.014 0.000 1.084 273 D HN 0.950 nan 8.370 nan 0.000 0.432 274 G N -1.381 107.372 108.800 -0.078 0.000 2.160 274 G HA2 -0.193 3.767 3.960 0.000 0.000 0.251 274 G HA3 -0.193 3.767 3.960 0.000 0.000 0.251 274 G C 0.189 175.040 174.900 -0.082 0.000 1.008 274 G CA 0.826 45.865 45.100 -0.102 0.000 0.724 274 G HN 1.018 nan 8.290 nan 0.000 0.514 275 S N -1.471 114.184 115.700 -0.075 0.000 2.533 275 S HA 0.813 5.283 4.470 0.000 0.000 0.271 275 S C -0.006 174.561 174.600 -0.055 0.000 1.143 275 S CA 0.491 58.658 58.200 -0.054 0.000 0.891 275 S CB 1.754 64.932 63.200 -0.036 0.000 1.105 275 S HN 1.766 nan 8.310 nan 0.000 0.468 276 G N 1.655 110.427 108.800 -0.047 0.000 2.704 276 G HA2 0.630 4.591 3.960 0.000 0.000 0.293 276 G HA3 0.630 4.591 3.960 0.000 0.000 0.293 276 G C -2.049 172.835 174.900 -0.026 0.000 1.421 276 G CA -0.487 44.588 45.100 -0.042 0.000 0.870 276 G HN 0.539 nan 8.290 nan 0.000 0.492 277 E N -0.863 119.326 120.200 -0.018 0.000 2.222 277 E HA 0.662 5.012 4.350 0.000 0.000 0.267 277 E C -1.170 175.436 176.600 0.011 0.000 0.884 277 E CA -0.611 55.787 56.400 -0.003 0.000 0.764 277 E CB 2.614 32.311 29.700 -0.005 0.000 1.169 277 E HN 0.519 nan 8.360 nan 0.000 0.413 278 V N 4.145 124.083 119.914 0.040 0.000 2.932 278 V HA 0.608 4.728 4.120 0.000 0.000 0.307 278 V C -1.556 174.601 176.094 0.104 0.000 1.147 278 V CA -0.560 61.788 62.300 0.079 0.000 0.951 278 V CB 2.130 34.025 31.823 0.120 0.000 1.031 278 V HN 0.493 nan 8.190 nan 0.000 0.426 279 V N 6.170 126.107 119.914 0.038 0.000 2.769 279 V HA 0.554 4.674 4.120 0.000 0.000 0.312 279 V C -0.582 175.330 176.094 -0.304 0.000 1.061 279 V CA -0.767 61.485 62.300 -0.080 0.000 0.931 279 V CB 1.761 33.531 31.823 -0.089 0.000 1.010 279 V HN 0.787 nan 8.190 nan 0.000 0.433 280 L N 4.628 125.467 121.223 -0.641 0.000 2.272 280 L HA 0.522 4.862 4.340 0.000 0.000 0.284 280 L C 0.663 177.231 176.870 -0.503 0.000 1.045 280 L CA 0.165 54.475 54.840 -0.883 0.000 0.842 280 L CB 0.939 42.065 42.059 -1.555 0.000 1.224 280 L HN 0.844 nan 8.230 nan 0.000 0.430 281 S N 3.490 118.994 115.700 -0.326 0.000 2.568 281 S HA 0.092 4.562 4.470 0.000 0.000 0.282 281 S C 1.298 175.769 174.600 -0.215 0.000 1.338 281 S CA 0.013 58.085 58.200 -0.212 0.000 1.045 281 S CB 0.612 63.731 63.200 -0.136 0.000 0.873 281 S HN 0.842 nan 8.310 nan 0.000 0.516 282 R N 1.612 122.030 120.500 -0.138 0.000 2.127 282 R HA -0.169 4.171 4.340 0.000 0.000 0.238 282 R C 2.185 178.440 176.300 -0.076 0.000 1.134 282 R CA 1.927 57.978 56.100 -0.081 0.000 0.975 282 R CB -0.303 30.007 30.300 0.017 0.000 0.865 282 R HN 0.847 nan 8.270 nan 0.000 0.447 283 K N -0.431 119.925 120.400 -0.073 0.000 2.062 283 K HA -0.052 4.268 4.320 0.000 0.000 0.205 283 K C 1.730 178.288 176.600 -0.071 0.000 1.051 283 K CA 1.337 57.590 56.287 -0.057 0.000 0.941 283 K CB -0.019 32.453 32.500 -0.047 0.000 0.719 283 K HN 0.022 nan 8.250 nan 0.000 0.440 284 V N 1.332 121.185 119.914 -0.101 0.000 2.358 284 V HA -0.186 3.934 4.120 0.000 0.000 0.246 284 V C 2.215 178.237 176.094 -0.119 0.000 1.047 284 V CA 1.474 63.709 62.300 -0.107 0.000 1.035 284 V CB -0.501 31.242 31.823 -0.133 0.000 0.658 284 V HN 0.396 nan 8.190 nan 0.000 0.452 285 L N 0.196 121.321 121.223 -0.164 0.000 1.978 285 L HA -0.210 4.130 4.340 0.000 0.000 0.218 285 L C 2.190 179.007 176.870 -0.087 0.000 1.075 285 L CA 2.214 56.960 54.840 -0.157 0.000 0.767 285 L CB -0.783 41.151 42.059 -0.209 0.000 0.890 285 L HN 0.226 nan 8.230 nan 0.000 0.434 286 L N -0.985 120.200 121.223 -0.063 0.000 2.156 286 L HA -0.137 4.203 4.340 0.000 0.000 0.208 286 L C 2.241 179.093 176.870 -0.030 0.000 1.095 286 L CA 0.977 55.796 54.840 -0.035 0.000 0.770 286 L CB -0.885 41.161 42.059 -0.020 0.000 0.914 286 L HN 0.265 nan 8.230 nan 0.000 0.439 287 D N 0.808 121.187 120.400 -0.036 0.000 2.123 287 D HA -0.152 4.488 4.640 0.000 0.000 0.196 287 D C 2.087 178.372 176.300 -0.025 0.000 0.992 287 D CA 1.538 55.522 54.000 -0.028 0.000 0.833 287 D CB -0.302 40.479 40.800 -0.031 0.000 0.954 287 D HN 0.313 nan 8.370 nan 0.000 0.455 288 G N -0.164 108.615 108.800 -0.034 0.000 2.776 288 G HA2 0.179 4.140 3.960 0.000 0.000 0.209 288 G HA3 0.179 4.140 3.960 0.000 0.000 0.209 288 G C 0.621 175.510 174.900 -0.018 0.000 1.145 288 G CA 0.849 45.933 45.100 -0.027 0.000 0.791 288 G HN 0.305 nan 8.290 nan 0.000 0.530 294 A N 1.533 124.364 122.820 0.018 0.000 2.032 294 A HA -0.190 4.130 4.320 0.000 0.000 0.221 294 A C 1.372 178.927 177.584 -0.049 0.000 1.165 294 A CA 1.580 53.606 52.037 -0.018 0.000 0.645 294 A CB 0.037 19.019 19.000 -0.030 0.000 0.807 294 A HN 0.628 nan 8.150 nan 0.000 0.453 295 E N -0.001 120.194 120.200 -0.009 0.000 2.358 295 E HA -0.050 4.300 4.350 0.000 0.000 0.195 295 E C 1.141 177.737 176.600 -0.007 0.000 1.010 295 E CA 0.615 57.008 56.400 -0.013 0.000 0.856 295 E CB -0.169 29.560 29.700 0.047 0.000 0.795 295 E HN 0.460 nan 8.360 nan 0.000 0.504 296 D N 0.095 120.496 120.400 0.002 0.000 2.271 296 D HA -0.142 4.498 4.640 0.000 0.000 0.207 296 D C 1.327 177.629 176.300 0.003 0.000 0.983 296 D CA 0.815 54.818 54.000 0.006 0.000 0.878 296 D CB 0.100 40.905 40.800 0.008 0.000 0.920 296 D HN 0.243 nan 8.370 nan 0.000 0.479 297 L N -0.197 121.022 121.223 -0.008 0.000 2.416 297 L HA 0.059 4.399 4.340 0.000 0.000 0.216 297 L C 0.467 177.340 176.870 0.006 0.000 1.098 297 L CA -0.071 54.770 54.840 0.002 0.000 0.840 297 L CB 0.338 42.400 42.059 0.004 0.000 0.981 297 L HN -0.201 nan 8.230 nan 0.000 0.462 298 V N 0.835 120.739 119.914 -0.016 0.000 2.673 298 V HA 0.196 4.316 4.120 0.000 0.000 0.303 298 V C 1.420 177.521 176.094 0.011 0.000 1.046 298 V CA 1.110 63.403 62.300 -0.011 0.000 1.126 298 V CB 0.319 32.126 31.823 -0.027 0.000 0.934 298 V HN 0.618 nan 8.190 nan 0.000 0.487 299 G N 3.570 112.382 108.800 0.021 0.000 2.299 299 G HA2 -0.231 3.730 3.960 0.000 0.000 0.237 299 G HA3 -0.231 3.730 3.960 0.000 0.000 0.237 299 G C 0.374 175.299 174.900 0.042 0.000 1.027 299 G CA 0.305 45.422 45.100 0.029 0.000 0.619 299 G HN 0.633 nan 8.290 nan 0.000 0.513 300 K N 0.865 121.293 120.400 0.046 0.000 2.140 300 K HA 0.622 4.942 4.320 0.000 0.000 0.237 300 K C 0.686 177.334 176.600 0.079 0.000 1.045 300 K CA 0.319 56.642 56.287 0.060 0.000 0.896 300 K CB 0.929 33.462 32.500 0.055 0.000 1.122 300 K HN 0.591 nan 8.250 nan 0.000 0.503 301 S N -0.449 115.308 115.700 0.095 0.000 2.697 301 S HA 0.606 5.076 4.470 0.000 0.000 0.289 301 S C -0.947 173.724 174.600 0.119 0.000 1.149 301 S CA -1.066 57.203 58.200 0.115 0.000 0.850 301 S CB 0.856 64.127 63.200 0.119 0.000 1.151 301 S HN 0.379 nan 8.310 nan 0.000 0.491 302 L N 1.664 122.960 121.223 0.120 0.000 2.342 302 L HA 0.655 4.995 4.340 0.000 0.000 0.271 302 L C -1.242 175.710 176.870 0.136 0.000 1.008 302 L CA -1.078 53.804 54.840 0.069 0.000 0.818 302 L CB 1.743 43.830 42.059 0.047 0.000 1.296 302 L HN 0.924 nan 8.230 nan 0.000 0.427 303 Y N 0.417 120.756 120.300 0.063 0.000 2.485 303 Y HA 0.812 5.363 4.550 0.000 0.000 0.345 303 Y C -0.947 174.913 175.900 -0.066 0.000 0.998 303 Y CA -1.380 56.725 58.100 0.008 0.000 1.059 303 Y CB 1.271 39.728 38.460 -0.005 0.000 1.234 303 Y HN 0.138 nan 8.280 nan 0.000 0.461 304 V N 2.372 122.279 119.914 -0.012 0.000 2.448 304 V HA 0.595 4.715 4.120 0.000 0.000 0.295 304 V C -0.343 175.674 176.094 -0.129 0.000 1.025 304 V CA -0.661 61.435 62.300 -0.340 0.000 0.859 304 V CB 1.145 32.712 31.823 -0.426 0.000 0.988 304 V HN 0.888 nan 8.190 nan 0.000 0.431 305 S N 3.558 119.171 115.700 -0.145 0.000 2.478 305 S HA 0.849 5.319 4.470 0.000 0.000 0.312 305 S C -0.397 174.158 174.600 -0.075 0.000 1.094 305 S CA -0.058 58.117 58.200 -0.042 0.000 1.081 305 S CB 1.317 64.548 63.200 0.052 0.000 1.007 305 S HN 1.340 nan 8.310 nan 0.000 0.475 306 A N 3.912 126.706 122.820 -0.044 0.000 2.343 306 A HA 0.735 5.056 4.320 0.000 0.000 0.316 306 A C -0.255 177.353 177.584 0.040 0.000 1.104 306 A CA -0.666 51.365 52.037 -0.009 0.000 0.768 306 A CB 1.415 20.396 19.000 -0.031 0.000 1.213 306 A HN 0.712 nan 8.150 nan 0.000 0.456 307 T N 2.096 116.718 114.554 0.113 0.000 2.770 307 T HA 0.535 4.885 4.350 0.000 0.000 0.283 307 T C -0.452 174.390 174.700 0.236 0.000 0.988 307 T CA -0.258 61.936 62.100 0.156 0.000 0.957 307 T CB 1.041 69.999 68.868 0.150 0.000 0.930 307 T HN 0.453 nan 8.240 nan 0.000 0.443 308 V N 4.975 125.013 119.914 0.207 0.000 2.495 308 V HA 0.568 4.689 4.120 0.000 0.000 0.298 308 V C -0.282 175.993 176.094 0.301 0.000 1.031 308 V CA -0.822 61.614 62.300 0.227 0.000 0.871 308 V CB 1.655 33.617 31.823 0.232 0.000 0.988 308 V HN 0.796 nan 8.190 nan 0.000 0.432 309 I N 4.606 125.300 120.570 0.206 0.000 2.465 309 I HA 0.402 4.572 4.170 0.000 0.000 0.291 309 I C -0.130 175.990 176.117 0.005 0.000 1.014 309 I CA -0.502 60.907 61.300 0.182 0.000 1.093 309 I CB 1.875 40.020 38.000 0.241 0.000 1.267 309 I HN 0.413 nan 8.210 nan 0.000 0.431 310 L N 5.268 126.457 121.223 -0.056 0.000 2.506 310 L HA 0.024 4.364 4.340 0.000 0.000 0.281 310 L C 1.400 178.288 176.870 0.030 0.000 1.228 310 L CA 0.178 54.941 54.840 -0.129 0.000 0.850 310 L CB 0.056 42.073 42.059 -0.069 0.000 1.110 310 L HN 0.701 nan 8.230 nan 0.000 0.496 311 H N 0.257 119.312 119.070 -0.025 0.000 2.518 311 H HA -0.132 4.424 4.556 0.000 0.000 0.292 311 H C 1.938 177.280 175.328 0.023 0.000 1.068 311 H CA 1.046 57.094 56.048 0.000 0.000 1.275 311 H CB 0.414 30.172 29.762 -0.007 0.000 1.375 311 H HN 0.765 nan 8.280 nan 0.000 0.563 312 S N -1.489 114.303 115.700 0.153 0.000 2.528 312 S HA 0.115 4.585 4.470 0.000 0.000 0.219 312 S C 1.875 176.533 174.600 0.097 0.000 0.985 312 S CA 0.361 58.623 58.200 0.104 0.000 0.914 312 S CB 0.616 63.871 63.200 0.092 0.000 0.776 312 S HN 0.610 nan 8.310 nan 0.000 0.526 313 G N 0.882 109.749 108.800 0.112 0.000 2.179 313 G HA2 -0.304 3.656 3.960 0.000 0.000 0.260 313 G HA3 -0.304 3.656 3.960 0.000 0.000 0.260 313 G C 0.899 175.863 174.900 0.107 0.000 0.977 313 G CA 0.475 45.641 45.100 0.109 0.000 0.641 313 G HN 0.562 nan 8.290 nan 0.000 0.533 314 S N -0.368 115.399 115.700 0.111 0.000 2.496 314 S HA 0.283 4.753 4.470 0.000 0.000 0.224 314 S C 0.525 175.212 174.600 0.145 0.000 0.996 314 S CA 1.069 59.337 58.200 0.113 0.000 0.927 314 S CB 0.233 63.498 63.200 0.107 0.000 0.774 314 S HN 0.725 nan 8.310 nan 0.000 0.524 315 D N -0.510 120.003 120.400 0.188 0.000 2.609 315 D HA 0.554 5.194 4.640 0.000 0.000 0.239 315 D C -1.116 175.384 176.300 0.333 0.000 1.229 315 D CA -0.489 53.672 54.000 0.267 0.000 0.808 315 D CB 1.614 42.648 40.800 0.391 0.000 1.448 315 D HN 0.081 nan 8.370 nan 0.000 0.433 316 M N 2.028 121.802 119.600 0.290 0.000 2.365 316 M HA 0.640 5.120 4.480 0.000 0.000 0.287 316 M C -2.251 174.070 176.300 0.035 0.000 1.154 316 M CA -0.470 54.973 55.300 0.237 0.000 0.941 316 M CB 2.012 34.693 32.600 0.135 0.000 1.704 316 M HN 0.104 nan 8.290 nan 0.000 0.479 317 V N 4.106 124.003 119.914 -0.028 0.000 2.623 317 V HA 0.441 4.561 4.120 0.000 0.000 0.304 317 V C -0.969 175.073 176.094 -0.086 0.000 1.054 317 V CA -0.592 61.563 62.300 -0.242 0.000 0.882 317 V CB 2.217 33.602 31.823 -0.730 0.000 1.002 317 V HN 0.902 nan 8.190 nan 0.000 0.424 318 Q N 3.088 122.841 119.800 -0.078 0.000 2.241 318 Q HA 0.840 5.180 4.340 0.000 0.000 0.254 318 Q C -0.342 175.621 176.000 -0.061 0.000 0.917 318 Q CA -0.479 55.298 55.803 -0.043 0.000 0.919 318 Q CB 2.588 31.308 28.738 -0.031 0.000 1.237 318 Q HN 0.872 nan 8.270 nan 0.000 0.434 319 A N 2.052 124.846 122.820 -0.043 0.000 2.527 319 A HA 0.679 4.999 4.320 0.000 0.000 0.293 319 A C -1.416 176.146 177.584 -0.037 0.000 1.117 319 A CA -0.620 51.390 52.037 -0.046 0.000 0.723 319 A CB 2.233 21.205 19.000 -0.047 0.000 1.313 319 A HN 0.753 nan 8.150 nan 0.000 0.411 320 E N 0.345 120.524 120.200 -0.035 0.000 2.290 320 E HA 0.507 4.857 4.350 0.000 0.000 0.274 320 E C -1.246 175.345 176.600 -0.015 0.000 0.889 320 E CA -0.677 55.708 56.400 -0.025 0.000 0.760 320 E CB 1.682 31.364 29.700 -0.031 0.000 1.206 320 E HN 0.604 nan 8.360 nan 0.000 0.419 321 R N 2.259 122.754 120.500 -0.008 0.000 2.294 321 R HA 0.452 4.792 4.340 0.000 0.000 0.319 321 R C -1.002 175.333 176.300 0.059 0.000 0.984 321 R CA -0.041 56.067 56.100 0.013 0.000 0.861 321 R CB 1.217 31.520 30.300 0.004 0.000 1.104 321 R HN 0.548 nan 8.270 nan 0.000 0.451 322 S N 2.165 117.904 115.700 0.065 0.000 2.740 322 S HA 0.667 5.137 4.470 0.000 0.000 0.300 322 S C 0.163 174.821 174.600 0.097 0.000 1.147 322 S CA -0.437 57.831 58.200 0.114 0.000 0.871 322 S CB 1.307 64.548 63.200 0.067 0.000 1.173 322 S HN 1.201 nan 8.310 nan 0.000 0.510 323 G N 0.407 109.277 108.800 0.117 0.000 2.350 323 G HA2 -0.190 3.770 3.960 0.000 0.000 0.298 323 G HA3 -0.190 3.770 3.960 0.000 0.000 0.298 323 G C -0.262 174.704 174.900 0.109 0.000 1.037 323 G CA 0.343 45.504 45.100 0.102 0.000 1.074 323 G HN 0.889 nan 8.290 nan 0.000 0.511 324 I N 1.393 122.039 120.570 0.127 0.000 2.282 324 I HA 0.212 4.382 4.170 0.000 0.000 0.290 324 I C -1.929 174.286 176.117 0.162 0.000 1.090 324 I CA -2.259 59.124 61.300 0.138 0.000 1.231 324 I CB 1.163 39.239 38.000 0.127 0.000 1.434 324 I HN -0.048 nan 8.210 nan 0.000 0.487 325 P HA 0.156 nan 4.420 nan 0.000 0.271 325 P C -0.340 177.075 177.300 0.192 0.000 1.216 325 P CA 0.001 63.191 63.100 0.150 0.000 0.771 325 P CB 0.590 32.358 31.700 0.114 0.000 0.864 326 I N 3.498 124.157 120.570 0.149 0.000 2.325 326 I HA 0.276 4.446 4.170 0.000 0.000 0.291 326 I C 0.586 176.734 176.117 0.050 0.000 1.019 326 I CA -0.578 60.804 61.300 0.137 0.000 1.302 326 I CB 0.711 38.786 38.000 0.125 0.000 1.401 326 I HN 0.141 nan 8.210 nan 0.000 0.485 327 V N 1.929 121.858 119.914 0.025 0.000 3.102 327 V HA 0.557 4.677 4.120 0.000 0.000 0.312 327 V C 0.514 176.615 176.094 0.011 0.000 1.135 327 V CA -0.423 61.862 62.300 -0.024 0.000 1.022 327 V CB 1.551 33.297 31.823 -0.130 0.000 1.056 327 V HN 0.773 nan 8.190 nan 0.000 0.436 328 T N -2.096 112.458 114.554 -0.000 0.000 3.015 328 T HA 0.291 4.641 4.350 0.000 0.000 0.250 328 T C 0.794 175.462 174.700 -0.054 0.000 1.057 328 T CA 0.728 62.890 62.100 0.103 0.000 1.066 328 T CB 0.131 69.062 68.868 0.105 0.000 0.959 328 T HN 1.062 nan 8.240 nan 0.000 0.488 329 S N 1.321 116.904 115.700 -0.196 0.000 2.536 329 S HA 0.538 5.008 4.470 0.000 0.000 0.287 329 S C -2.541 171.703 174.600 -0.593 0.000 1.101 329 S CA -1.565 56.435 58.200 -0.333 0.000 0.950 329 S CB 1.928 65.012 63.200 -0.194 0.000 1.056 329 S HN -0.122 nan 8.310 nan 0.000 0.481 330 P HA 0.107 nan 4.420 nan 0.000 0.234 330 P C -0.952 175.683 177.300 -1.109 0.000 1.167 330 P CA 0.984 63.273 63.100 -1.352 0.000 0.763 330 P CB -0.107 30.790 31.700 -1.339 0.000 0.835 331 Y N -1.197 118.889 120.300 -0.356 0.000 2.545 331 Y HA 0.508 5.058 4.550 0.000 0.000 0.348 331 Y C 0.451 176.199 175.900 -0.255 0.000 1.002 331 Y CA -1.102 56.837 58.100 -0.268 0.000 1.039 331 Y CB 1.403 39.729 38.460 -0.224 0.000 1.271 331 Y HN -0.259 nan 8.280 nan 0.000 0.467 332 Q N 2.109 121.858 119.800 -0.086 0.000 2.377 332 Q HA 0.719 5.059 4.340 0.000 0.000 0.271 332 Q C -1.328 174.416 176.000 -0.427 0.000 1.077 332 Q CA -0.838 54.806 55.803 -0.264 0.000 0.820 332 Q CB 3.001 31.562 28.738 -0.294 0.000 1.347 332 Q HN 0.542 nan 8.270 nan 0.000 0.444 333 I N 1.757 122.004 120.570 -0.538 0.000 2.441 333 I HA 0.400 4.570 4.170 0.000 0.000 0.295 333 I C -0.855 174.793 176.117 -0.782 0.000 0.994 333 I CA -0.734 60.222 61.300 -0.573 0.000 1.144 333 I CB 1.231 38.968 38.000 -0.439 0.000 1.314 333 I HN 0.607 nan 8.210 nan 0.000 0.445 334 H N 4.768 123.618 119.070 -0.367 0.000 2.679 334 H HA 0.366 4.923 4.556 0.000 0.000 0.360 334 H C -0.775 174.390 175.328 -0.270 0.000 1.105 334 H CA -0.457 55.471 56.048 -0.201 0.000 1.196 334 H CB 1.798 31.580 29.762 0.033 0.000 1.636 334 H HN 0.418 nan 8.280 nan 0.000 0.531 335 F N 0.335 120.420 119.950 0.225 0.000 2.647 335 F HA 0.043 4.570 4.527 0.000 0.000 0.300 335 F C 2.012 177.922 175.800 0.184 0.000 1.106 335 F CA -0.045 58.058 58.000 0.171 0.000 1.313 335 F CB 0.051 39.125 39.000 0.122 0.000 1.007 335 F HN 0.616 nan 8.300 nan 0.000 0.536 336 T N -2.671 112.087 114.554 0.340 0.000 2.946 336 T HA -0.214 4.136 4.350 0.000 0.000 0.271 336 T C 1.558 176.439 174.700 0.303 0.000 1.104 336 T CA 1.332 63.607 62.100 0.291 0.000 1.114 336 T CB -0.236 68.780 68.868 0.245 0.000 0.867 336 T HN 0.293 nan 8.240 nan 0.000 0.513 337 K N 0.453 120.988 120.400 0.226 0.000 2.358 337 K HA 0.180 4.500 4.320 0.000 0.000 0.200 337 K C 0.008 176.718 176.600 0.184 0.000 1.030 337 K CA -0.015 56.364 56.287 0.153 0.000 1.097 337 K CB 0.775 33.212 32.500 -0.106 0.000 0.862 337 K HN 0.219 nan 8.250 nan 0.000 0.534 338 T N 3.525 118.218 114.554 0.232 0.000 2.767 338 T HA 0.240 4.590 4.350 0.000 0.000 0.288 338 T C -2.642 172.187 174.700 0.215 0.000 0.963 338 T CA -1.792 60.422 62.100 0.190 0.000 1.019 338 T CB 1.445 70.466 68.868 0.255 0.000 0.923 338 T HN -0.143 nan 8.240 nan 0.000 0.468 339 P HA 0.098 nan 4.420 nan 0.000 0.264 339 P C 0.267 177.768 177.300 0.335 0.000 1.183 339 P CA -0.273 62.993 63.100 0.277 0.000 0.763 339 P CB 0.469 32.347 31.700 0.296 0.000 0.807 340 K N 2.198 122.700 120.400 0.170 0.000 2.500 340 K HA 0.192 4.512 4.320 0.000 0.000 0.206 340 K C -0.485 175.881 176.600 -0.389 0.000 1.034 340 K CA -0.046 56.183 56.287 -0.097 0.000 1.179 340 K CB -0.277 32.079 32.500 -0.240 0.000 0.884 340 K HN 0.513 nan 8.250 nan 0.000 0.493 341 Y N 0.120 120.572 120.300 0.252 0.000 2.457 341 Y HA 0.379 4.929 4.550 0.000 0.000 0.343 341 Y C -0.086 176.009 175.900 0.325 0.000 0.994 341 Y CA -1.765 56.465 58.100 0.216 0.000 1.031 341 Y CB 1.399 39.962 38.460 0.172 0.000 1.246 341 Y HN 0.003 nan 8.280 nan 0.000 0.449 342 F N -0.697 119.316 119.950 0.104 0.000 2.618 342 F HA 0.900 5.427 4.527 0.000 0.000 0.332 342 F C -1.175 174.651 175.800 0.043 0.000 1.061 342 F CA -1.642 56.374 58.000 0.026 0.000 0.974 342 F CB 1.351 40.083 39.000 -0.447 0.000 1.310 342 F HN 0.125 nan 8.300 nan 0.000 0.491 343 K N 2.184 122.531 120.400 -0.088 0.000 2.347 343 K HA 0.403 4.724 4.320 0.000 0.000 0.262 343 K C -2.788 173.534 176.600 -0.464 0.000 1.052 343 K CA -1.846 54.120 56.287 -0.536 0.000 0.946 343 K CB 0.904 32.991 32.500 -0.688 0.000 1.220 343 K HN 0.243 nan 8.250 nan 0.000 0.450 344 P HA -0.041 nan 4.420 nan 0.000 0.260 344 P C 0.760 178.020 177.300 -0.068 0.000 1.185 344 P CA 0.981 64.054 63.100 -0.046 0.000 0.763 344 P CB 0.743 32.432 31.700 -0.019 0.000 0.776 345 G N 2.473 111.296 108.800 0.038 0.000 2.232 345 G HA2 -0.223 3.737 3.960 0.000 0.000 0.226 345 G HA3 -0.223 3.737 3.960 0.000 0.000 0.226 345 G C 0.107 174.986 174.900 -0.034 0.000 0.996 345 G CA -0.322 44.791 45.100 0.021 0.000 0.626 345 G HN 0.450 nan 8.290 nan 0.000 0.509 346 M N 1.239 120.777 119.600 -0.104 0.000 2.478 346 M HA 0.449 4.929 4.480 0.000 0.000 0.327 346 M C -2.428 173.808 176.300 -0.105 0.000 1.187 346 M CA -1.989 53.230 55.300 -0.134 0.000 1.022 346 M CB 1.262 33.720 32.600 -0.237 0.000 1.629 346 M HN -0.152 nan 8.290 nan 0.000 0.461 347 P HA -0.051 nan 4.420 nan 0.000 0.266 347 P C -1.315 175.948 177.300 -0.061 0.000 1.193 347 P CA 0.306 63.344 63.100 -0.105 0.000 0.770 347 P CB 0.228 31.849 31.700 -0.131 0.000 0.836 348 F N 2.838 122.709 119.950 -0.130 0.000 2.427 348 F HA 0.294 4.821 4.527 0.000 0.000 0.348 348 F C -0.485 175.306 175.800 -0.014 0.000 1.125 348 F CA -0.895 57.069 58.000 -0.060 0.000 0.989 348 F CB 0.858 39.818 39.000 -0.067 0.000 1.165 348 F HN 0.138 nan 8.300 nan 0.000 0.442 349 D N 6.862 126.979 120.400 -0.473 0.000 2.277 349 D HA 0.355 4.995 4.640 0.000 0.000 0.249 349 D C -0.739 175.178 176.300 -0.639 0.000 1.134 349 D CA 0.081 53.851 54.000 -0.383 0.000 0.863 349 D CB 1.607 42.310 40.800 -0.161 0.000 1.143 349 D HN 0.318 nan 8.370 nan 0.000 0.458 350 L N 2.354 123.370 121.223 -0.344 0.000 2.307 350 L HA 0.378 4.718 4.340 0.000 0.000 0.284 350 L C 0.175 177.017 176.870 -0.047 0.000 1.023 350 L CA -0.555 54.179 54.840 -0.176 0.000 0.810 350 L CB 1.056 43.137 42.059 0.036 0.000 1.231 350 L HN 0.119 nan 8.230 nan 0.000 0.423 351 M N 3.835 123.435 119.600 0.001 0.000 2.111 351 M HA 0.304 4.784 4.480 0.000 0.000 0.351 351 M C -0.653 175.696 176.300 0.082 0.000 1.214 351 M CA -0.342 54.965 55.300 0.012 0.000 1.120 351 M CB 0.810 33.394 32.600 -0.027 0.000 1.443 351 M HN 0.211 nan 8.290 nan 0.000 0.429 352 V N 5.040 124.986 119.914 0.052 0.000 2.406 352 V HA 0.274 4.394 4.120 0.000 0.000 0.272 352 V C -0.405 175.726 176.094 0.061 0.000 1.043 352 V CA -0.498 61.802 62.300 -0.000 0.000 0.915 352 V CB 0.912 32.706 31.823 -0.048 0.000 0.988 352 V HN 0.542 nan 8.190 nan 0.000 0.466 353 F N 6.706 126.579 119.950 -0.129 0.000 2.385 353 F HA 0.626 5.153 4.527 0.000 0.000 0.360 353 F C -0.177 175.597 175.800 -0.043 0.000 1.122 353 F CA -1.085 56.877 58.000 -0.064 0.000 1.090 353 F CB 1.334 40.324 39.000 -0.017 0.000 1.150 353 F HN 0.247 nan 8.300 nan 0.000 0.472 354 V N 5.311 125.059 119.914 -0.278 0.000 2.384 354 V HA 0.472 4.592 4.120 0.000 0.000 0.287 354 V C 0.012 175.835 176.094 -0.452 0.000 1.020 354 V CA -0.590 61.493 62.300 -0.362 0.000 0.850 354 V CB 1.292 32.943 31.823 -0.287 0.000 0.987 354 V HN 0.846 nan 8.190 nan 0.000 0.436 355 T N 1.297 115.626 114.554 -0.374 0.000 2.918 355 T HA 0.486 4.836 4.350 0.000 0.000 0.286 355 T C -0.114 174.570 174.700 -0.026 0.000 1.026 355 T CA -0.930 61.026 62.100 -0.240 0.000 1.031 355 T CB 1.383 70.094 68.868 -0.261 0.000 1.046 355 T HN 0.466 nan 8.240 nan 0.000 0.479 356 N N 2.762 121.479 118.700 0.028 0.000 2.416 356 N HA 0.141 4.881 4.740 0.000 0.000 0.246 356 N C -1.729 173.778 175.510 -0.005 0.000 1.260 356 N CA -1.468 51.600 53.050 0.030 0.000 0.897 356 N CB 0.626 39.161 38.487 0.080 0.000 1.110 356 N HN 0.454 nan 8.380 nan 0.000 0.439 357 P HA -0.151 nan 4.420 nan 0.000 0.217 357 P C 0.724 178.046 177.300 0.038 0.000 1.148 357 P CA 1.251 64.330 63.100 -0.034 0.000 0.828 357 P CB 0.134 31.797 31.700 -0.061 0.000 0.783 358 D N -1.806 118.634 120.400 0.067 0.000 2.312 358 D HA -0.016 4.625 4.640 0.000 0.000 0.211 358 D C 1.544 177.876 176.300 0.054 0.000 0.964 358 D CA 1.340 55.382 54.000 0.071 0.000 0.877 358 D CB -0.722 40.128 40.800 0.084 0.000 0.924 358 D HN 0.284 nan 8.370 nan 0.000 0.515 359 G N 0.003 108.827 108.800 0.041 0.000 2.284 359 G HA2 -0.220 3.740 3.960 0.000 0.000 0.201 359 G HA3 -0.220 3.740 3.960 0.000 0.000 0.201 359 G C 0.324 175.243 174.900 0.031 0.000 0.998 359 G CA 0.192 45.308 45.100 0.027 0.000 0.651 359 G HN 0.709 nan 8.290 nan 0.000 0.489 360 S N 2.065 117.793 115.700 0.047 0.000 2.572 360 S HA 0.559 5.029 4.470 0.000 0.000 0.279 360 S C -1.942 172.685 174.600 0.046 0.000 1.341 360 S CA -0.712 57.526 58.200 0.063 0.000 1.043 360 S CB 1.518 64.758 63.200 0.067 0.000 0.887 360 S HN 0.384 nan 8.310 nan 0.000 0.516 361 P HA 0.234 nan 4.420 nan 0.000 0.268 361 P C -0.793 176.555 177.300 0.080 0.000 1.205 361 P CA -0.155 63.003 63.100 0.095 0.000 0.771 361 P CB 0.401 32.237 31.700 0.227 0.000 0.858 362 A N 4.068 126.914 122.820 0.044 0.000 2.290 362 A HA 0.377 4.698 4.320 0.000 0.000 0.310 362 A C -0.850 176.801 177.584 0.112 0.000 1.202 362 A CA -0.639 51.450 52.037 0.085 0.000 0.837 362 A CB 0.083 19.102 19.000 0.032 0.000 1.139 362 A HN 0.633 nan 8.150 nan 0.000 0.509 363 Y N 2.479 122.779 120.300 0.000 0.000 2.334 363 Y HA 0.451 5.001 4.550 0.000 0.000 0.328 363 Y C 1.019 176.897 175.900 -0.037 0.000 1.130 363 Y CA -0.611 57.481 58.100 -0.014 0.000 1.163 363 Y CB 0.676 39.139 38.460 0.006 0.000 1.207 363 Y HN 0.859 nan 8.280 nan 0.000 0.471 364 R N 2.627 122.790 120.500 -0.562 0.000 3.416 364 R HA -0.151 4.189 4.340 0.000 0.000 0.263 364 R C -1.507 174.607 176.300 -0.310 0.000 1.053 364 R CA 0.582 56.348 56.100 -0.557 0.000 0.705 364 R CB -2.037 27.806 30.300 -0.761 0.000 1.124 364 R HN 0.371 nan 8.270 nan 0.000 0.444 365 V N 2.493 122.240 119.914 -0.279 0.000 2.364 365 V HA 0.226 4.346 4.120 0.000 0.000 0.272 365 V C -1.473 174.463 176.094 -0.264 0.000 1.036 365 V CA -1.434 60.660 62.300 -0.345 0.000 0.880 365 V CB 1.552 33.020 31.823 -0.592 0.000 0.991 365 V HN 0.065 nan 8.190 nan 0.000 0.460 366 P HA 0.269 nan 4.420 nan 0.000 0.271 366 P C -0.700 176.509 177.300 -0.152 0.000 1.216 366 P CA 0.139 63.147 63.100 -0.154 0.000 0.771 366 P CB 1.297 32.927 31.700 -0.118 0.000 0.864 367 V N -0.537 119.307 119.914 -0.118 0.000 3.040 367 V HA 1.012 5.133 4.120 0.000 0.000 0.312 367 V C -0.788 175.270 176.094 -0.060 0.000 1.115 367 V CA -1.383 60.858 62.300 -0.098 0.000 0.998 367 V CB 1.630 33.390 31.823 -0.106 0.000 1.042 367 V HN 0.791 nan 8.190 nan 0.000 0.433 368 A N 1.352 124.148 122.820 -0.040 0.000 2.608 368 A HA 0.796 5.117 4.320 0.000 0.000 0.292 368 A C -0.938 176.647 177.584 0.002 0.000 1.066 368 A CA -0.531 51.495 52.037 -0.019 0.000 0.676 368 A CB 1.501 20.485 19.000 -0.026 0.000 1.277 368 A HN 1.464 nan 8.150 nan 0.000 0.413 369 V N 2.415 122.335 119.914 0.010 0.000 2.881 369 V HA 0.134 4.254 4.120 0.000 0.000 0.303 369 V C 0.672 176.768 176.094 0.004 0.000 1.070 369 V CA -0.513 61.798 62.300 0.019 0.000 1.074 369 V CB 1.202 33.031 31.823 0.011 0.000 1.012 369 V HN 0.866 nan 8.190 nan 0.000 0.482 370 Q N 2.552 122.356 119.800 0.006 0.000 3.130 370 Q HA -0.042 4.298 4.340 0.000 0.000 0.382 370 Q C 1.087 177.082 176.000 -0.008 0.000 1.060 370 Q CA 1.577 57.379 55.803 -0.002 0.000 1.211 370 Q CB -0.554 28.181 28.738 -0.005 0.000 1.041 370 Q HN 1.222 nan 8.270 nan 0.000 0.440 371 G N 3.330 112.124 108.800 -0.009 0.000 2.523 371 G HA2 -0.319 3.641 3.960 0.000 0.000 0.271 371 G HA3 -0.319 3.641 3.960 0.000 0.000 0.271 371 G C -1.001 173.891 174.900 -0.013 0.000 1.146 371 G CA 0.048 45.142 45.100 -0.011 0.000 0.961 371 G HN 0.752 nan 8.290 nan 0.000 0.549 372 E N 0.385 120.577 120.200 -0.014 0.000 5.041 372 E HA -0.009 4.341 4.350 0.000 0.000 0.185 372 E C 0.129 176.718 176.600 -0.018 0.000 1.775 372 E CA 2.084 58.474 56.400 -0.016 0.000 1.128 372 E CB -1.527 28.163 29.700 -0.017 0.000 1.025 372 E HN 2.046 nan 8.360 nan 0.000 0.332 373 D N 0.633 121.023 120.400 -0.017 0.000 3.335 373 D HA -0.169 4.471 4.640 0.000 0.000 0.254 373 D C 0.216 176.506 176.300 -0.016 0.000 1.055 373 D CA 1.714 55.705 54.000 -0.015 0.000 0.971 373 D CB -0.741 40.051 40.800 -0.014 0.000 0.990 373 D HN 0.725 nan 8.370 nan 0.000 0.423 374 T N -1.164 113.380 114.554 -0.017 0.000 13.443 374 T HA -0.348 4.003 4.350 0.000 0.000 0.405 374 T C 1.492 176.179 174.700 -0.021 0.000 1.454 374 T CA 2.060 64.149 62.100 -0.019 0.000 2.265 374 T CB -1.342 67.516 68.868 -0.017 0.000 2.683 374 T HN 1.459 nan 8.240 nan 0.000 0.391 375 V N 0.208 120.109 119.914 -0.021 0.000 0.691 375 V HA -0.302 3.818 4.120 0.000 0.000 0.092 375 V C 0.615 176.692 176.094 -0.028 0.000 0.770 375 V CA 1.808 64.094 62.300 -0.023 0.000 3.097 375 V CB -1.296 30.515 31.823 -0.021 0.000 0.182 375 V HN 1.337 nan 8.190 nan 0.000 0.066 376 Q N -0.990 118.791 119.800 -0.031 0.000 3.195 376 Q HA 0.057 4.398 4.340 0.000 0.000 0.038 376 Q C -0.559 175.415 176.000 -0.044 0.000 1.688 376 Q CA 0.727 56.507 55.803 -0.040 0.000 0.257 376 Q CB -0.544 28.168 28.738 -0.044 0.000 0.583 376 Q HN 1.710 nan 8.270 nan 0.000 0.322 377 S N 1.418 117.087 115.700 -0.052 0.000 2.546 377 S HA 0.819 5.289 4.470 0.000 0.000 0.274 377 S C -1.038 173.517 174.600 -0.075 0.000 1.121 377 S CA -1.052 57.115 58.200 -0.056 0.000 0.887 377 S CB 1.597 64.769 63.200 -0.045 0.000 1.094 377 S HN 0.395 nan 8.310 nan 0.000 0.474 378 L N 2.532 123.707 121.223 -0.081 0.000 2.276 378 L HA 0.428 4.768 4.340 0.000 0.000 0.286 378 L C 0.949 177.764 176.870 -0.092 0.000 1.061 378 L CA 0.069 54.843 54.840 -0.110 0.000 0.807 378 L CB 1.207 43.185 42.059 -0.136 0.000 1.177 378 L HN 0.852 nan 8.230 nan 0.000 0.429 379 T N 2.761 117.252 114.554 -0.105 0.000 2.934 379 T HA 0.001 4.351 4.350 0.000 0.000 0.321 379 T C 0.255 174.958 174.700 0.006 0.000 1.080 379 T CA 0.414 62.480 62.100 -0.056 0.000 1.132 379 T CB 0.261 69.073 68.868 -0.095 0.000 1.039 379 T HN 0.568 nan 8.240 nan 0.000 0.543 380 Q N 0.700 120.562 119.800 0.103 0.000 2.699 380 Q HA 0.545 4.885 4.340 0.000 0.000 0.240 380 Q C 1.982 178.176 176.000 0.324 0.000 1.033 380 Q CA -0.481 55.472 55.803 0.249 0.000 0.938 380 Q CB 0.337 29.152 28.738 0.128 0.000 1.312 380 Q HN 0.746 nan 8.270 nan 0.000 0.507 381 G N 0.930 109.823 108.800 0.155 0.000 2.547 381 G HA2 -0.325 3.635 3.960 0.000 0.000 0.221 381 G HA3 -0.325 3.635 3.960 0.000 0.000 0.221 381 G C 0.713 175.611 174.900 -0.002 0.000 1.140 381 G CA 1.704 46.734 45.100 -0.116 0.000 0.760 381 G HN 0.800 nan 8.290 nan 0.000 0.583 382 D N -0.662 119.753 120.400 0.025 0.000 2.340 382 D HA 0.249 4.889 4.640 0.000 0.000 0.220 382 D C 1.697 178.108 176.300 0.185 0.000 1.039 382 D CA 0.738 54.761 54.000 0.038 0.000 0.866 382 D CB -0.531 40.232 40.800 -0.062 0.000 0.913 382 D HN 0.648 nan 8.370 nan 0.000 0.523 383 G N -0.662 108.261 108.800 0.205 0.000 2.176 383 G HA2 -0.239 3.721 3.960 0.000 0.000 0.253 383 G HA3 -0.239 3.721 3.960 0.000 0.000 0.253 383 G C 0.043 175.109 174.900 0.276 0.000 0.979 383 G CA 0.216 45.473 45.100 0.261 0.000 0.641 383 G HN 0.387 nan 8.290 nan 0.000 0.530 384 V N 0.875 120.897 119.914 0.179 0.000 2.427 384 V HA 0.825 4.945 4.120 0.000 0.000 0.286 384 V C 0.578 176.689 176.094 0.028 0.000 1.034 384 V CA -0.081 62.281 62.300 0.103 0.000 0.893 384 V CB 1.477 33.291 31.823 -0.016 0.000 0.982 384 V HN 1.174 nan 8.190 nan 0.000 0.452 385 A N 4.292 127.116 122.820 0.008 0.000 2.356 385 A HA 0.880 5.200 4.320 0.000 0.000 0.323 385 A C -0.560 177.009 177.584 -0.025 0.000 1.119 385 A CA -0.875 51.149 52.037 -0.022 0.000 0.790 385 A CB 1.609 20.583 19.000 -0.043 0.000 1.273 385 A HN 0.844 nan 8.150 nan 0.000 0.452 386 K N 2.056 122.435 120.400 -0.035 0.000 2.339 386 K HA 0.698 5.018 4.320 0.000 0.000 0.264 386 K C -1.612 174.966 176.600 -0.036 0.000 0.986 386 K CA -0.065 56.198 56.287 -0.041 0.000 0.866 386 K CB 0.497 32.966 32.500 -0.052 0.000 1.103 386 K HN 0.581 nan 8.250 nan 0.000 0.441 387 L N 2.519 123.724 121.223 -0.031 0.000 2.319 387 L HA 0.645 4.985 4.340 0.000 0.000 0.267 387 L C -0.661 176.183 176.870 -0.045 0.000 1.011 387 L CA -0.981 53.844 54.840 -0.025 0.000 0.818 387 L CB 2.343 44.403 42.059 0.002 0.000 1.316 387 L HN 0.926 nan 8.230 nan 0.000 0.432 388 S N 1.538 117.217 115.700 -0.034 0.000 2.572 388 S HA 0.694 5.165 4.470 0.000 0.000 0.274 388 S C -0.838 173.753 174.600 -0.016 0.000 1.150 388 S CA -0.819 57.358 58.200 -0.038 0.000 0.944 388 S CB 1.507 64.682 63.200 -0.042 0.000 1.071 388 S HN 0.594 nan 8.310 nan 0.000 0.479 389 I N 0.318 120.894 120.570 0.010 0.000 2.750 389 I HA 0.658 4.828 4.170 0.000 0.000 0.308 389 I C -0.347 175.752 176.117 -0.029 0.000 1.016 389 I CA -0.970 60.323 61.300 -0.011 0.000 1.098 389 I CB 1.617 39.609 38.000 -0.013 0.000 1.279 389 I HN 0.668 nan 8.210 nan 0.000 0.454 390 N N 1.147 119.804 118.700 -0.071 0.000 2.493 390 N HA 0.493 5.233 4.740 0.000 0.000 0.275 390 N C -1.017 174.389 175.510 -0.173 0.000 1.186 390 N CA -0.076 52.916 53.050 -0.097 0.000 0.978 390 N CB 1.450 39.883 38.487 -0.089 0.000 1.184 390 N HN 0.680 nan 8.380 nan 0.000 0.487 391 T N 0.702 115.157 114.554 -0.166 0.000 2.893 391 T HA 0.274 4.624 4.350 0.000 0.000 0.293 391 T C -1.240 173.380 174.700 -0.133 0.000 1.027 391 T CA -0.560 61.427 62.100 -0.189 0.000 0.988 391 T CB 0.586 69.418 68.868 -0.060 0.000 1.043 391 T HN 0.363 nan 8.240 nan 0.000 0.461 392 H N 2.603 121.677 119.070 0.007 0.000 2.562 392 H HA 0.238 4.794 4.556 0.000 0.000 0.352 392 H C -1.777 173.607 175.328 0.092 0.000 1.125 392 H CA -2.035 54.035 56.048 0.037 0.000 1.379 392 H CB 1.209 30.982 29.762 0.020 0.000 1.464 392 H HN 0.304 nan 8.280 nan 0.000 0.563 393 P HA -0.067 nan 4.420 nan 0.000 0.244 393 P C 0.181 177.571 177.300 0.149 0.000 1.211 393 P CA 0.307 63.502 63.100 0.159 0.000 0.760 393 P CB 0.057 31.832 31.700 0.126 0.000 0.961 394 S N -0.633 115.167 115.700 0.167 0.000 2.600 394 S HA 0.122 4.593 4.470 0.000 0.000 0.265 394 S C 0.963 175.658 174.600 0.158 0.000 1.325 394 S CA -0.385 57.893 58.200 0.130 0.000 1.002 394 S CB 0.651 63.913 63.200 0.102 0.000 0.921 394 S HN -0.044 nan 8.310 nan 0.000 0.554 395 Q N -0.074 119.793 119.800 0.113 0.000 2.280 395 Q HA 0.213 4.553 4.340 0.000 0.000 0.201 395 Q C 0.004 176.080 176.000 0.127 0.000 0.890 395 Q CA 0.138 56.001 55.803 0.099 0.000 0.947 395 Q CB -0.078 28.694 28.738 0.056 0.000 1.081 395 Q HN 0.778 nan 8.270 nan 0.000 0.502 396 K N 2.186 122.672 120.400 0.143 0.000 2.298 396 K HA 0.191 4.511 4.320 0.000 0.000 0.280 396 K C -2.314 174.375 176.600 0.149 0.000 1.032 396 K CA -1.568 54.784 56.287 0.109 0.000 0.958 396 K CB 0.615 33.154 32.500 0.065 0.000 0.978 396 K HN -0.211 nan 8.250 nan 0.000 0.472 397 P HA -0.166 nan 4.420 nan 0.000 0.259 397 P C -0.839 176.424 177.300 -0.063 0.000 1.163 397 P CA 0.298 63.436 63.100 0.064 0.000 0.760 397 P CB 0.334 32.039 31.700 0.009 0.000 0.762 398 L N 3.087 124.174 121.223 -0.226 0.000 2.290 398 L HA 0.270 4.610 4.340 0.000 0.000 0.284 398 L C 0.219 176.883 176.870 -0.343 0.000 1.078 398 L CA -0.014 54.530 54.840 -0.494 0.000 0.815 398 L CB 0.730 42.086 42.059 -1.172 0.000 1.162 398 L HN 0.317 nan 8.230 nan 0.000 0.435 399 S N 5.775 121.324 115.700 -0.253 0.000 2.566 399 S HA 0.608 5.078 4.470 0.000 0.000 0.324 399 S C -0.666 173.828 174.600 -0.176 0.000 1.081 399 S CA -0.617 57.469 58.200 -0.189 0.000 1.105 399 S CB 0.462 63.590 63.200 -0.120 0.000 0.981 399 S HN 0.461 nan 8.310 nan 0.000 0.464 400 I N 4.204 124.655 120.570 -0.198 0.000 2.362 400 I HA 0.365 4.535 4.170 0.000 0.000 0.289 400 I C 0.137 176.195 176.117 -0.098 0.000 0.994 400 I CA -0.258 60.953 61.300 -0.149 0.000 1.158 400 I CB 2.095 40.002 38.000 -0.155 0.000 1.315 400 I HN 0.381 nan 8.210 nan 0.000 0.451 401 T N 5.516 120.064 114.554 -0.009 0.000 2.771 401 T HA 0.620 4.970 4.350 0.000 0.000 0.281 401 T C -0.236 174.534 174.700 0.116 0.000 0.982 401 T CA -0.508 61.634 62.100 0.070 0.000 0.978 401 T CB 1.492 70.381 68.868 0.036 0.000 0.930 401 T HN 0.221 nan 8.240 nan 0.000 0.447 402 V N 4.635 124.676 119.914 0.212 0.000 2.555 402 V HA 0.618 4.738 4.120 0.000 0.000 0.302 402 V C -0.170 175.949 176.094 0.042 0.000 1.038 402 V CA -0.944 61.442 62.300 0.143 0.000 0.887 402 V CB 1.881 33.834 31.823 0.218 0.000 0.991 402 V HN 0.763 nan 8.190 nan 0.000 0.434 403 R N 1.669 122.168 120.500 -0.001 0.000 2.628 403 R HA 0.643 4.983 4.340 0.000 0.000 0.288 403 R C -0.460 175.803 176.300 -0.062 0.000 0.980 403 R CA -0.693 55.383 56.100 -0.039 0.000 0.891 403 R CB 1.859 32.143 30.300 -0.025 0.000 1.188 403 R HN 0.709 nan 8.270 nan 0.000 0.450 404 T N 2.402 116.893 114.554 -0.105 0.000 2.109 404 T HA -0.134 4.217 4.350 0.000 0.000 0.561 404 T C -0.448 174.207 174.700 -0.074 0.000 0.876 404 T CA 0.733 62.766 62.100 -0.111 0.000 2.982 404 T CB -0.434 68.386 68.868 -0.080 0.000 1.780 404 T HN 0.590 nan 8.240 nan 0.000 0.436 405 K N 2.521 122.868 120.400 -0.088 0.000 3.123 405 K HA 0.149 4.469 4.320 0.000 0.000 0.209 405 K C 0.163 176.729 176.600 -0.057 0.000 1.132 405 K CA -0.739 55.512 56.287 -0.060 0.000 0.992 405 K CB 0.845 33.311 32.500 -0.057 0.000 0.773 405 K HN 0.308 nan 8.250 nan 0.000 0.458 406 K N 2.480 122.853 120.400 -0.044 0.000 2.395 406 K HA 0.062 4.382 4.320 0.000 0.000 0.283 406 K C 0.691 177.287 176.600 -0.007 0.000 1.068 406 K CA 0.403 56.681 56.287 -0.015 0.000 1.039 406 K CB 0.455 33.003 32.500 0.079 0.000 0.924 406 K HN 0.314 nan 8.250 nan 0.000 0.468 407 Q N 2.023 121.813 119.800 -0.017 0.000 2.839 407 Q HA -0.159 4.182 4.340 0.000 0.000 0.229 407 Q C 0.546 176.544 176.000 -0.003 0.000 1.140 407 Q CA 0.812 56.607 55.803 -0.013 0.000 1.077 407 Q CB 0.252 28.980 28.738 -0.017 0.000 1.335 407 Q HN 0.554 nan 8.270 nan 0.000 0.610 408 E N -2.291 117.907 120.200 -0.003 0.000 3.904 408 E HA -0.316 4.034 4.350 0.000 0.000 0.316 408 E C 0.649 177.247 176.600 -0.004 0.000 0.643 408 E CA 1.268 57.668 56.400 0.000 0.000 1.129 408 E CB -1.029 28.674 29.700 0.006 0.000 1.635 408 E HN 0.362 nan 8.360 nan 0.000 0.424 409 L N 0.203 121.421 121.223 -0.008 0.000 2.255 409 L HA 0.360 4.700 4.340 0.000 0.000 0.196 409 L C 0.445 177.299 176.870 -0.027 0.000 1.202 409 L CA 2.004 56.828 54.840 -0.028 0.000 0.819 409 L CB 0.236 42.283 42.059 -0.021 0.000 1.006 409 L HN 0.440 nan 8.230 nan 0.000 0.480 410 S N -2.140 113.547 115.700 -0.021 0.000 3.002 410 S HA -0.071 4.399 4.470 0.000 0.000 0.244 410 S C 0.428 175.019 174.600 -0.016 0.000 0.572 410 S CA -0.125 58.066 58.200 -0.014 0.000 1.082 410 S CB -0.981 62.216 63.200 -0.006 0.000 1.172 410 S HN 0.329 nan 8.310 nan 0.000 0.602 411 E N 1.803 121.996 120.200 -0.011 0.000 2.130 411 E HA -0.161 4.189 4.350 0.000 0.000 0.196 411 E C 2.313 178.909 176.600 -0.007 0.000 0.998 411 E CA 1.847 58.240 56.400 -0.011 0.000 0.806 411 E CB -0.619 29.075 29.700 -0.010 0.000 0.738 411 E HN 0.930 nan 8.360 nan 0.000 0.459 412 A N 0.819 123.640 122.820 0.001 0.000 2.066 412 A HA -0.142 4.178 4.320 0.000 0.000 0.218 412 A C 1.619 179.215 177.584 0.020 0.000 1.157 412 A CA 1.018 53.068 52.037 0.021 0.000 0.670 412 A CB -0.148 18.875 19.000 0.037 0.000 0.804 412 A HN 0.175 nan 8.150 nan 0.000 0.453 413 E N -0.127 120.059 120.200 -0.023 0.000 2.481 413 E HA 0.052 4.402 4.350 0.000 0.000 0.198 413 E C -0.248 176.299 176.600 -0.089 0.000 1.027 413 E CA -0.280 56.058 56.400 -0.103 0.000 0.900 413 E CB 0.234 29.805 29.700 -0.215 0.000 0.993 413 E HN 0.517 nan 8.360 nan 0.000 0.482 414 Q N 0.855 120.633 119.800 -0.036 0.000 2.293 414 Q HA 0.398 4.738 4.340 0.000 0.000 0.251 414 Q C -0.057 175.931 176.000 -0.019 0.000 0.930 414 Q CA -0.224 55.574 55.803 -0.009 0.000 0.893 414 Q CB 1.366 30.097 28.738 -0.012 0.000 1.215 414 Q HN 0.112 nan 8.270 nan 0.000 0.425 415 A N 1.843 124.658 122.820 -0.007 0.000 2.351 415 A HA 0.510 4.830 4.320 0.000 0.000 0.257 415 A C 0.188 177.738 177.584 -0.055 0.000 1.087 415 A CA -0.016 51.994 52.037 -0.045 0.000 0.798 415 A CB 0.769 19.736 19.000 -0.054 0.000 1.033 415 A HN 0.642 nan 8.150 nan 0.000 0.488 416 T N -0.108 114.412 114.554 -0.058 0.000 2.900 416 T HA 0.681 5.031 4.350 0.000 0.000 0.303 416 T C -1.006 173.675 174.700 -0.031 0.000 1.142 416 T CA -0.651 61.429 62.100 -0.034 0.000 1.007 416 T CB 1.162 70.026 68.868 -0.007 0.000 1.156 416 T HN 0.949 nan 8.240 nan 0.000 0.490 417 R N 1.450 121.968 120.500 0.030 0.000 2.561 417 R HA 0.623 4.963 4.340 0.000 0.000 0.266 417 R C -1.444 175.056 176.300 0.334 0.000 1.091 417 R CA -0.338 55.835 56.100 0.122 0.000 0.927 417 R CB 1.958 32.252 30.300 -0.010 0.000 1.240 417 R HN 0.734 nan 8.270 nan 0.000 0.449 418 T N 4.556 119.264 114.554 0.256 0.000 2.855 418 T HA 0.705 5.055 4.350 0.000 0.000 0.281 418 T C -0.368 174.361 174.700 0.047 0.000 1.007 418 T CA -0.666 61.514 62.100 0.132 0.000 1.009 418 T CB 1.105 69.998 68.868 0.041 0.000 0.983 418 T HN 0.636 nan 8.240 nan 0.000 0.455 419 M N 1.187 120.634 119.600 -0.256 0.000 2.667 419 M HA 0.677 5.158 4.480 0.000 0.000 0.286 419 M C -1.374 174.769 176.300 -0.262 0.000 1.270 419 M CA -1.086 54.027 55.300 -0.312 0.000 0.826 419 M CB 2.326 34.517 32.600 -0.681 0.000 1.743 419 M HN 0.470 nan 8.290 nan 0.000 0.460 420 Q N 1.288 120.970 119.800 -0.198 0.000 2.337 420 Q HA 0.829 5.169 4.340 0.000 0.000 0.270 420 Q C -2.039 173.844 176.000 -0.196 0.000 1.043 420 Q CA -0.777 54.916 55.803 -0.184 0.000 0.794 420 Q CB 2.384 31.051 28.738 -0.120 0.000 1.281 420 Q HN 1.003 nan 8.270 nan 0.000 0.446 421 A N 4.508 127.180 122.820 -0.247 0.000 2.325 421 A HA 0.743 5.063 4.320 0.000 0.000 0.333 421 A C -0.979 176.607 177.584 0.003 0.000 1.155 421 A CA -0.745 51.170 52.037 -0.204 0.000 0.814 421 A CB 0.911 19.642 19.000 -0.449 0.000 1.206 421 A HN 0.782 nan 8.150 nan 0.000 0.482 422 L N 1.900 123.145 121.223 0.036 0.000 2.322 422 L HA 0.518 4.858 4.340 0.000 0.000 0.269 422 L C -2.255 174.681 176.870 0.110 0.000 1.012 422 L CA -2.373 52.560 54.840 0.155 0.000 0.815 422 L CB 2.022 44.116 42.059 0.058 0.000 1.295 422 L HN 0.474 nan 8.230 nan 0.000 0.438 423 P HA -0.033 nan 4.420 nan 0.000 0.271 423 P C -1.071 176.167 177.300 -0.104 0.000 1.216 423 P CA -0.060 62.682 63.100 -0.597 0.000 0.771 423 P CB 0.345 31.810 31.700 -0.392 0.000 0.864 424 Y N 2.988 123.170 120.300 -0.197 0.000 2.569 424 Y HA 0.102 4.652 4.550 0.000 0.000 0.332 424 Y C 0.772 176.687 175.900 0.026 0.000 1.120 424 Y CA 0.343 58.424 58.100 -0.031 0.000 1.416 424 Y CB 0.456 38.953 38.460 0.063 0.000 1.210 424 Y HN 0.338 nan 8.280 nan 0.000 0.528 425 S N 5.220 120.740 115.700 -0.299 0.000 2.513 425 S HA 0.437 4.907 4.470 0.000 0.000 0.276 425 S C -0.228 174.200 174.600 -0.286 0.000 1.254 425 S CA -0.640 57.438 58.200 -0.202 0.000 1.053 425 S CB 0.429 63.518 63.200 -0.186 0.000 0.958 425 S HN 0.796 nan 8.310 nan 0.000 0.491 426 T N 3.279 117.780 114.554 -0.088 0.000 2.881 426 T HA 0.381 4.732 4.350 0.000 0.000 0.278 426 T C -0.207 174.455 174.700 -0.063 0.000 0.982 426 T CA -0.684 61.376 62.100 -0.068 0.000 0.989 426 T CB 0.997 69.775 68.868 -0.151 0.000 1.058 426 T HN 0.530 nan 8.240 nan 0.000 0.529 427 V N 1.881 121.768 119.914 -0.044 0.000 2.439 427 V HA 0.415 4.535 4.120 0.000 0.000 0.271 427 V C 1.396 177.463 176.094 -0.044 0.000 1.040 427 V CA 0.285 62.567 62.300 -0.030 0.000 1.002 427 V CB 0.045 31.840 31.823 -0.046 0.000 1.000 427 V HN 1.214 nan 8.190 nan 0.000 0.477 428 G N 5.312 114.093 108.800 -0.032 0.000 2.390 428 G HA2 -0.325 3.636 3.960 0.000 0.000 0.299 428 G HA3 -0.325 3.636 3.960 0.000 0.000 0.299 428 G C 0.534 175.415 174.900 -0.031 0.000 1.002 428 G CA 0.649 45.731 45.100 -0.030 0.000 0.979 428 G HN 1.004 nan 8.290 nan 0.000 0.513 429 N N -2.027 116.654 118.700 -0.032 0.000 2.782 429 N HA -0.286 4.454 4.740 0.000 0.000 0.251 429 N C 1.749 177.240 175.510 -0.032 0.000 1.101 429 N CA 1.575 54.611 53.050 -0.023 0.000 0.764 429 N CB -1.419 37.063 38.487 -0.007 0.000 1.122 429 N HN 1.329 nan 8.380 nan 0.000 0.561 430 S N 0.283 115.948 115.700 -0.059 0.000 2.399 430 S HA -0.134 4.337 4.470 0.000 0.000 0.231 430 S C 1.085 175.641 174.600 -0.075 0.000 1.022 430 S CA 1.423 59.583 58.200 -0.066 0.000 0.983 430 S CB 0.107 63.255 63.200 -0.087 0.000 0.803 430 S HN 0.393 nan 8.310 nan 0.000 0.480 431 N N 1.216 119.827 118.700 -0.148 0.000 2.850 431 N HA -0.110 4.630 4.740 0.000 0.000 0.249 431 N C -1.520 173.793 175.510 -0.330 0.000 1.060 431 N CA 0.944 53.881 53.050 -0.188 0.000 0.825 431 N CB -2.076 36.439 38.487 0.046 0.000 1.132 431 N HN 0.571 nan 8.380 nan 0.000 0.564 432 N N 0.737 119.231 118.700 -0.345 0.000 2.444 432 N HA 0.335 5.075 4.740 0.000 0.000 0.271 432 N C -0.355 174.938 175.510 -0.362 0.000 1.069 432 N CA 0.312 53.257 53.050 -0.175 0.000 0.965 432 N CB 0.459 38.963 38.487 0.029 0.000 1.092 432 N HN 0.165 nan 8.380 nan 0.000 0.476 433 Y N 0.283 120.682 120.300 0.166 0.000 2.576 433 Y HA 0.517 5.068 4.550 0.000 0.000 0.346 433 Y C -0.347 175.662 175.900 0.181 0.000 1.018 433 Y CA -1.121 57.004 58.100 0.042 0.000 1.050 433 Y CB 1.584 40.024 38.460 -0.033 0.000 1.280 433 Y HN 0.268 nan 8.280 nan 0.000 0.474 434 L N 1.878 123.244 121.223 0.239 0.000 2.346 434 L HA 0.578 4.919 4.340 0.000 0.000 0.276 434 L C -1.495 175.451 176.870 0.126 0.000 1.006 434 L CA -0.520 54.477 54.840 0.261 0.000 0.817 434 L CB 1.321 43.552 42.059 0.287 0.000 1.272 434 L HN 0.771 nan 8.230 nan 0.000 0.421 435 H N 4.107 123.180 119.070 0.004 0.000 2.823 435 H HA 0.588 5.144 4.556 0.000 0.000 0.332 435 H C -1.597 173.655 175.328 -0.126 0.000 0.980 435 H CA -0.426 55.588 56.048 -0.056 0.000 1.286 435 H CB 0.988 30.731 29.762 -0.032 0.000 1.541 435 H HN 0.621 nan 8.280 nan 0.000 0.521 436 L N 4.428 125.282 121.223 -0.615 0.000 2.312 436 L HA 0.540 4.881 4.340 0.000 0.000 0.281 436 L C 0.003 176.456 176.870 -0.696 0.000 1.070 436 L CA -0.445 54.017 54.840 -0.629 0.000 0.805 436 L CB 1.382 43.129 42.059 -0.520 0.000 1.174 436 L HN 0.766 nan 8.230 nan 0.000 0.434 437 S N 1.707 117.131 115.700 -0.460 0.000 2.651 437 S HA 0.874 5.344 4.470 0.000 0.000 0.279 437 S C -0.997 173.477 174.600 -0.210 0.000 1.148 437 S CA -0.830 57.191 58.200 -0.297 0.000 0.837 437 S CB 2.443 65.544 63.200 -0.165 0.000 1.138 437 S HN 0.263 nan 8.310 nan 0.000 0.478 438 V N 1.099 120.922 119.914 -0.151 0.000 2.882 438 V HA 0.355 4.476 4.120 0.000 0.000 0.295 438 V C -1.370 174.667 176.094 -0.096 0.000 1.273 438 V CA -0.660 61.566 62.300 -0.124 0.000 0.949 438 V CB 1.887 33.627 31.823 -0.139 0.000 1.071 438 V HN 0.940 nan 8.190 nan 0.000 0.432 439 L N 4.283 125.461 121.223 -0.075 0.000 2.455 439 L HA 0.353 4.693 4.340 0.000 0.000 0.272 439 L C 0.627 177.454 176.870 -0.072 0.000 1.174 439 L CA 0.368 55.170 54.840 -0.063 0.000 0.869 439 L CB 0.252 42.282 42.059 -0.048 0.000 1.130 439 L HN 0.567 nan 8.230 nan 0.000 0.474 440 R N 2.511 122.969 120.500 -0.069 0.000 2.272 440 R HA 0.402 4.742 4.340 0.000 0.000 0.334 440 R C -0.817 175.448 176.300 -0.059 0.000 1.117 440 R CA -0.048 56.006 56.100 -0.076 0.000 0.966 440 R CB -0.290 29.965 30.300 -0.075 0.000 1.049 440 R HN 0.797 nan 8.270 nan 0.000 0.477 441 T N 0.071 114.586 114.554 -0.065 0.000 2.883 441 T HA 0.400 4.750 4.350 0.000 0.000 0.296 441 T C -0.565 174.091 174.700 -0.073 0.000 1.117 441 T CA -1.147 60.921 62.100 -0.053 0.000 1.006 441 T CB 1.119 69.962 68.868 -0.042 0.000 1.191 441 T HN 0.449 nan 8.240 nan 0.000 0.508 442 E N 0.897 121.056 120.200 -0.067 0.000 2.493 442 E HA 0.114 4.464 4.350 0.000 0.000 0.255 442 E C -0.639 175.916 176.600 -0.075 0.000 0.999 442 E CA 0.039 56.390 56.400 -0.082 0.000 0.934 442 E CB 0.402 30.055 29.700 -0.077 0.000 0.940 442 E HN 0.367 nan 8.360 nan 0.000 0.473 443 L N 4.757 125.931 121.223 -0.082 0.000 2.264 443 L HA 0.328 4.668 4.340 0.000 0.000 0.289 443 L C 0.270 177.101 176.870 -0.065 0.000 1.044 443 L CA -0.336 54.465 54.840 -0.065 0.000 0.807 443 L CB 0.716 42.749 42.059 -0.043 0.000 1.192 443 L HN 0.421 nan 8.230 nan 0.000 0.425 444 R N 3.842 124.304 120.500 -0.064 0.000 2.828 444 R HA 0.558 4.899 4.340 0.000 0.000 0.264 444 R C -2.548 173.710 176.300 -0.069 0.000 1.022 444 R CA -2.092 53.970 56.100 -0.062 0.000 1.021 444 R CB 0.565 30.833 30.300 -0.054 0.000 1.163 444 R HN 0.324 nan 8.270 nan 0.000 0.494 445 P HA 0.032 nan 4.420 nan 0.000 0.269 445 P C 0.481 177.746 177.300 -0.059 0.000 1.209 445 P CA 0.727 63.789 63.100 -0.065 0.000 0.776 445 P CB 0.645 32.330 31.700 -0.026 0.000 0.876 446 G N 0.868 109.626 108.800 -0.070 0.000 2.213 446 G HA2 -0.208 3.752 3.960 0.000 0.000 0.236 446 G HA3 -0.208 3.752 3.960 0.000 0.000 0.236 446 G C 0.021 174.882 174.900 -0.065 0.000 0.991 446 G CA -0.253 44.814 45.100 -0.055 0.000 0.629 446 G HN 0.546 nan 8.290 nan 0.000 0.517 447 E N 0.441 120.590 120.200 -0.084 0.000 2.248 447 E HA 0.569 4.920 4.350 0.000 0.000 0.272 447 E C 0.014 176.551 176.600 -0.104 0.000 1.008 447 E CA 0.044 56.396 56.400 -0.080 0.000 0.856 447 E CB 1.493 31.149 29.700 -0.073 0.000 1.120 447 E HN 0.144 nan 8.360 nan 0.000 0.397 448 T N 1.595 116.100 114.554 -0.082 0.000 2.795 448 T HA 0.407 4.757 4.350 0.000 0.000 0.282 448 T C -1.058 173.598 174.700 -0.074 0.000 0.980 448 T CA -0.808 61.240 62.100 -0.088 0.000 1.012 448 T CB 0.511 69.341 68.868 -0.062 0.000 0.936 448 T HN 0.208 nan 8.240 nan 0.000 0.457 449 L N 5.528 126.702 121.223 -0.081 0.000 2.272 449 L HA 0.538 4.879 4.340 0.000 0.000 0.289 449 L C -0.400 176.444 176.870 -0.043 0.000 1.032 449 L CA -0.412 54.397 54.840 -0.052 0.000 0.810 449 L CB 0.882 42.928 42.059 -0.023 0.000 1.205 449 L HN 0.612 nan 8.230 nan 0.000 0.422 450 N N 4.491 123.169 118.700 -0.036 0.000 2.420 450 N HA 0.166 4.906 4.740 0.000 0.000 0.262 450 N C -0.892 174.591 175.510 -0.045 0.000 1.144 450 N CA -0.078 52.956 53.050 -0.027 0.000 0.952 450 N CB 1.271 39.747 38.487 -0.018 0.000 1.081 450 N HN 0.374 nan 8.380 nan 0.000 0.480 451 V N 3.455 123.342 119.914 -0.045 0.000 2.370 451 V HA 0.217 4.337 4.120 0.000 0.000 0.279 451 V C 0.350 176.364 176.094 -0.133 0.000 1.029 451 V CA -0.874 61.343 62.300 -0.137 0.000 0.870 451 V CB 0.831 32.533 31.823 -0.202 0.000 0.984 451 V HN 0.506 nan 8.190 nan 0.000 0.451 452 N N 4.367 122.941 118.700 -0.210 0.000 2.434 452 N HA 0.444 5.185 4.740 0.000 0.000 0.272 452 N C -1.058 174.273 175.510 -0.298 0.000 1.040 452 N CA -0.119 52.859 53.050 -0.120 0.000 0.956 452 N CB 1.603 40.044 38.487 -0.077 0.000 1.108 452 N HN 0.477 nan 8.380 nan 0.000 0.481 453 F N 2.086 121.935 119.950 -0.168 0.000 2.361 453 F HA 0.309 4.836 4.527 0.000 0.000 0.364 453 F C 0.166 175.862 175.800 -0.174 0.000 1.117 453 F CA -1.000 56.821 58.000 -0.299 0.000 1.071 453 F CB 1.073 39.702 39.000 -0.618 0.000 1.188 453 F HN 0.202 nan 8.300 nan 0.000 0.464 454 L N 5.605 126.850 121.223 0.037 0.000 2.287 454 L HA 0.576 4.916 4.340 0.000 0.000 0.287 454 L C -1.210 175.747 176.870 0.145 0.000 1.022 454 L CA -0.743 54.162 54.840 0.108 0.000 0.814 454 L CB 1.035 43.181 42.059 0.145 0.000 1.217 454 L HN 0.537 nan 8.230 nan 0.000 0.420 455 L N 5.303 126.620 121.223 0.156 0.000 2.289 455 L HA 0.588 4.928 4.340 0.000 0.000 0.285 455 L C -0.478 176.481 176.870 0.148 0.000 1.049 455 L CA -0.153 54.787 54.840 0.168 0.000 0.804 455 L CB 0.969 43.099 42.059 0.119 0.000 1.195 455 L HN 0.757 nan 8.230 nan 0.000 0.428 456 R N 6.365 126.985 120.500 0.201 0.000 2.310 456 R HA 0.753 5.093 4.340 0.000 0.000 0.316 456 R C -1.307 175.108 176.300 0.191 0.000 1.004 456 R CA -0.346 55.875 56.100 0.201 0.000 0.900 456 R CB 0.490 30.957 30.300 0.279 0.000 1.152 456 R HN 0.808 nan 8.270 nan 0.000 0.513 457 M N 0.262 119.933 119.600 0.119 0.000 2.813 457 M HA 0.516 4.996 4.480 0.000 0.000 0.270 457 M C -1.298 175.052 176.300 0.083 0.000 1.267 457 M CA -1.241 54.120 55.300 0.103 0.000 0.822 457 M CB 1.428 34.084 32.600 0.093 0.000 1.671 457 M HN 0.317 nan 8.290 nan 0.000 0.468 458 D N 0.800 121.256 120.400 0.093 0.000 2.399 458 D HA 0.113 4.753 4.640 0.000 0.000 0.241 458 D C 0.640 176.969 176.300 0.049 0.000 1.133 458 D CA -0.351 53.696 54.000 0.078 0.000 0.890 458 D CB 0.749 41.610 40.800 0.101 0.000 1.201 458 D HN 0.838 nan 8.370 nan 0.000 0.432 459 R N 1.182 121.693 120.500 0.018 0.000 2.241 459 R HA 0.004 4.344 4.340 0.000 0.000 0.224 459 R C 1.616 177.883 176.300 -0.056 0.000 1.101 459 R CA 1.003 57.097 56.100 -0.011 0.000 0.995 459 R CB -0.524 29.770 30.300 -0.010 0.000 0.870 459 R HN 0.397 nan 8.270 nan 0.000 0.463 460 A N 0.916 123.683 122.820 -0.089 0.000 2.066 460 A HA -0.059 4.261 4.320 0.000 0.000 0.218 460 A C 1.142 178.431 177.584 -0.492 0.000 1.157 460 A CA 0.813 52.693 52.037 -0.261 0.000 0.670 460 A CB -0.296 18.536 19.000 -0.280 0.000 0.804 460 A HN 0.446 nan 8.150 nan 0.000 0.453 461 H N -1.608 117.452 119.070 -0.017 0.000 3.440 461 H HA 0.032 4.589 4.556 0.000 0.000 0.259 461 H C 1.765 177.063 175.328 -0.050 0.000 1.120 461 H CA 0.839 56.870 56.048 -0.028 0.000 1.191 461 H CB 0.216 29.968 29.762 -0.018 0.000 1.537 461 H HN 0.767 nan 8.280 nan 0.000 0.547 462 E N 1.898 122.114 120.200 0.027 0.000 2.130 462 E HA -0.143 4.207 4.350 0.000 0.000 0.196 462 E C 2.104 178.663 176.600 -0.068 0.000 0.998 462 E CA 1.530 57.911 56.400 -0.032 0.000 0.806 462 E CB -0.302 29.382 29.700 -0.027 0.000 0.738 462 E HN 0.218 nan 8.360 nan 0.000 0.459 463 A N 0.745 123.534 122.820 -0.052 0.000 2.121 463 A HA -0.104 4.216 4.320 0.000 0.000 0.218 463 A C 1.980 179.523 177.584 -0.068 0.000 1.154 463 A CA 1.307 53.309 52.037 -0.058 0.000 0.679 463 A CB -0.416 18.558 19.000 -0.045 0.000 0.795 463 A HN 0.211 nan 8.150 nan 0.000 0.458 464 K N -0.478 119.887 120.400 -0.059 0.000 2.283 464 K HA 0.023 4.343 4.320 0.000 0.000 0.202 464 K C -0.168 176.344 176.600 -0.148 0.000 1.048 464 K CA 0.345 56.592 56.287 -0.067 0.000 0.948 464 K CB -0.040 32.450 32.500 -0.018 0.000 0.742 464 K HN 0.349 nan 8.250 nan 0.000 0.458 465 I N 1.920 122.362 120.570 -0.214 0.000 2.322 465 I HA 0.057 4.227 4.170 0.000 0.000 0.292 465 I C 0.850 176.749 176.117 -0.365 0.000 1.060 465 I CA 0.352 61.427 61.300 -0.375 0.000 1.309 465 I CB 1.066 38.748 38.000 -0.530 0.000 1.415 465 I HN 0.019 nan 8.210 nan 0.000 0.492 466 R N 5.488 125.751 120.500 -0.395 0.000 2.419 466 R HA 0.190 4.530 4.340 0.000 0.000 0.235 466 R C -0.565 175.651 176.300 -0.140 0.000 0.899 466 R CA 0.192 56.170 56.100 -0.202 0.000 1.048 466 R CB 0.314 30.595 30.300 -0.031 0.000 1.182 466 R HN 0.681 nan 8.270 nan 0.000 0.544 467 Y N -2.816 117.289 120.300 -0.324 0.000 2.656 467 Y HA 0.595 5.146 4.550 0.000 0.000 0.334 467 Y C -1.435 174.165 175.900 -0.499 0.000 1.179 467 Y CA -2.197 55.710 58.100 -0.322 0.000 1.050 467 Y CB 0.465 38.852 38.460 -0.122 0.000 1.308 467 Y HN -0.193 nan 8.280 nan 0.000 0.456 468 Y N 0.112 120.469 120.300 0.095 0.000 2.429 468 Y HA 0.640 5.190 4.550 0.000 0.000 0.342 468 Y C -0.101 175.876 175.900 0.129 0.000 1.004 468 Y CA -1.167 56.971 58.100 0.064 0.000 1.075 468 Y CB 2.442 40.861 38.460 -0.068 0.000 1.214 468 Y HN 0.660 nan 8.280 nan 0.000 0.455 469 T N 3.819 118.464 114.554 0.151 0.000 2.771 469 T HA 0.349 4.699 4.350 0.000 0.000 0.291 469 T C -0.996 173.860 174.700 0.260 0.000 0.954 469 T CA -0.512 61.627 62.100 0.065 0.000 1.045 469 T CB -0.275 68.509 68.868 -0.140 0.000 0.917 469 T HN 0.492 nan 8.240 nan 0.000 0.484 470 Y N 1.811 122.275 120.300 0.274 0.000 2.509 470 Y HA 0.841 5.391 4.550 0.000 0.000 0.341 470 Y C -1.543 174.533 175.900 0.294 0.000 1.038 470 Y CA -1.941 56.356 58.100 0.330 0.000 1.089 470 Y CB 0.856 39.554 38.460 0.397 0.000 1.241 470 Y HN 0.358 nan 8.280 nan 0.000 0.468 471 L N 4.546 126.032 121.223 0.437 0.000 2.436 471 L HA 0.497 4.837 4.340 0.000 0.000 0.268 471 L C -1.050 176.033 176.870 0.355 0.000 0.974 471 L CA -0.703 54.334 54.840 0.329 0.000 0.826 471 L CB 2.204 44.465 42.059 0.336 0.000 1.291 471 L HN 0.595 nan 8.230 nan 0.000 0.406 472 I N 3.527 124.270 120.570 0.289 0.000 2.330 472 I HA 0.417 4.587 4.170 0.000 0.000 0.289 472 I C -0.373 175.838 176.117 0.157 0.000 1.001 472 I CA -0.317 61.134 61.300 0.252 0.000 1.193 472 I CB 1.622 39.708 38.000 0.143 0.000 1.345 472 I HN 0.554 nan 8.210 nan 0.000 0.461 473 M N 6.419 126.139 119.600 0.201 0.000 2.238 473 M HA 0.346 4.826 4.480 0.000 0.000 0.350 473 M C -0.407 175.987 176.300 0.157 0.000 1.138 473 M CA -0.044 55.344 55.300 0.146 0.000 1.040 473 M CB 1.535 34.222 32.600 0.144 0.000 1.639 473 M HN 0.562 nan 8.290 nan 0.000 0.451 474 N N 2.928 121.681 118.700 0.088 0.000 2.369 474 N HA 0.189 4.930 4.740 0.000 0.000 0.287 474 N C -0.876 174.697 175.510 0.105 0.000 1.067 474 N CA -0.164 52.949 53.050 0.104 0.000 0.888 474 N CB 1.809 40.286 38.487 -0.017 0.000 1.616 474 N HN 0.653 nan 8.380 nan 0.000 0.482 475 K N 2.067 122.566 120.400 0.165 0.000 2.975 475 K HA -0.230 4.090 4.320 0.000 0.000 0.257 475 K C 0.672 177.356 176.600 0.140 0.000 1.005 475 K CA 1.021 57.431 56.287 0.204 0.000 0.738 475 K CB -1.656 30.991 32.500 0.245 0.000 1.236 475 K HN 1.031 nan 8.250 nan 0.000 0.483 476 G N 0.292 109.147 108.800 0.091 0.000 2.148 476 G HA2 -0.376 3.584 3.960 0.000 0.000 0.254 476 G HA3 -0.376 3.584 3.960 0.000 0.000 0.254 476 G C -0.026 174.875 174.900 0.003 0.000 0.981 476 G CA 0.826 45.942 45.100 0.027 0.000 0.670 476 G HN 0.659 nan 8.290 nan 0.000 0.528 477 R N -0.930 119.582 120.500 0.021 0.000 2.807 477 R HA 0.778 5.118 4.340 0.000 0.000 0.276 477 R C -0.098 176.211 176.300 0.015 0.000 0.979 477 R CA -1.295 54.805 56.100 -0.000 0.000 0.928 477 R CB 1.128 31.420 30.300 -0.014 0.000 1.191 477 R HN 0.082 nan 8.270 nan 0.000 0.471 478 L N 3.809 125.043 121.223 0.018 0.000 2.600 478 L HA 0.009 4.349 4.340 0.000 0.000 0.278 478 L C 1.038 177.905 176.870 -0.004 0.000 1.139 478 L CA -0.291 54.570 54.840 0.036 0.000 0.933 478 L CB 0.629 42.723 42.059 0.058 0.000 1.266 478 L HN 0.719 nan 8.230 nan 0.000 0.471 479 L N 3.994 125.192 121.223 -0.041 0.000 2.056 479 L HA -0.019 4.321 4.340 0.000 0.000 0.207 479 L C 0.752 177.579 176.870 -0.072 0.000 1.078 479 L CA 1.701 56.466 54.840 -0.124 0.000 0.749 479 L CB -0.227 41.630 42.059 -0.336 0.000 0.901 479 L HN 0.615 nan 8.230 nan 0.000 0.433 480 K N -1.066 119.327 120.400 -0.011 0.000 2.569 480 K HA 0.613 4.933 4.320 0.000 0.000 0.259 480 K C -1.915 174.732 176.600 0.078 0.000 0.932 480 K CA -0.118 56.198 56.287 0.048 0.000 0.833 480 K CB 1.413 33.971 32.500 0.098 0.000 1.340 480 K HN 0.025 nan 8.250 nan 0.000 0.429 481 A N 2.114 124.941 122.820 0.012 0.000 2.386 481 A HA 0.937 5.257 4.320 0.000 0.000 0.311 481 A C -0.547 176.853 177.584 -0.306 0.000 1.068 481 A CA -0.135 51.836 52.037 -0.110 0.000 0.743 481 A CB 1.820 20.814 19.000 -0.009 0.000 1.258 481 A HN 0.918 nan 8.150 nan 0.000 0.429 482 G N 0.752 109.060 108.800 -0.821 0.000 2.731 482 G HA2 0.641 4.601 3.960 0.000 0.000 0.309 482 G HA3 0.641 4.601 3.960 0.000 0.000 0.309 482 G C -1.603 172.959 174.900 -0.563 0.000 1.273 482 G CA -0.689 44.027 45.100 -0.640 0.000 0.798 482 G HN 0.610 nan 8.290 nan 0.000 0.509 483 R N -0.032 120.380 120.500 -0.147 0.000 2.686 483 R HA 0.581 4.921 4.340 0.000 0.000 0.286 483 R C -1.371 175.046 176.300 0.195 0.000 0.969 483 R CA -0.816 55.298 56.100 0.024 0.000 0.898 483 R CB 1.980 32.230 30.300 -0.084 0.000 1.183 483 R HN 0.535 nan 8.270 nan 0.000 0.456 484 Q N 2.174 122.077 119.800 0.171 0.000 2.357 484 Q HA 0.311 4.651 4.340 0.000 0.000 0.266 484 Q C -0.674 175.351 176.000 0.041 0.000 1.021 484 Q CA -0.706 55.115 55.803 0.030 0.000 0.784 484 Q CB 1.463 29.976 28.738 -0.375 0.000 1.243 484 Q HN 0.505 nan 8.270 nan 0.000 0.465 485 V N 1.879 121.818 119.914 0.042 0.000 3.083 485 V HA 0.736 4.856 4.120 0.000 0.000 0.306 485 V C -0.355 175.751 176.094 0.021 0.000 1.077 485 V CA -0.710 61.619 62.300 0.048 0.000 1.073 485 V CB 1.580 33.430 31.823 0.045 0.000 1.081 485 V HN 0.848 nan 8.190 nan 0.000 0.474 486 R N 1.209 121.701 120.500 -0.014 0.000 2.651 486 R HA 0.532 4.873 4.340 0.000 0.000 0.278 486 R C -1.336 174.944 176.300 -0.034 0.000 1.010 486 R CA -0.621 55.462 56.100 -0.028 0.000 0.896 486 R CB 2.370 32.591 30.300 -0.132 0.000 1.211 486 R HN 0.941 nan 8.270 nan 0.000 0.456 487 E N 2.810 123.002 120.200 -0.013 0.000 2.248 487 E HA 0.398 4.748 4.350 0.000 0.000 0.272 487 E C -2.467 174.117 176.600 -0.027 0.000 1.008 487 E CA -2.122 54.269 56.400 -0.015 0.000 0.856 487 E CB 1.238 30.938 29.700 0.001 0.000 1.120 487 E HN 0.296 nan 8.360 nan 0.000 0.397 488 P HA 0.079 nan 4.420 nan 0.000 0.265 488 P C 0.375 177.664 177.300 -0.017 0.000 1.193 488 P CA 1.060 64.140 63.100 -0.032 0.000 0.765 488 P CB 0.547 32.230 31.700 -0.028 0.000 0.823 489 G N 1.904 110.694 108.800 -0.016 0.000 2.176 489 G HA2 -0.266 3.694 3.960 0.000 0.000 0.253 489 G HA3 -0.266 3.694 3.960 0.000 0.000 0.253 489 G C 0.080 174.986 174.900 0.010 0.000 0.979 489 G CA -0.339 44.759 45.100 -0.003 0.000 0.641 489 G HN 0.592 nan 8.290 nan 0.000 0.530 490 Q N 0.737 120.545 119.800 0.013 0.000 2.389 490 Q HA 0.323 4.663 4.340 0.000 0.000 0.244 490 Q C 0.409 176.444 176.000 0.058 0.000 1.056 490 Q CA -0.457 55.367 55.803 0.036 0.000 0.908 490 Q CB 0.784 29.547 28.738 0.042 0.000 1.273 490 Q HN 0.288 nan 8.270 nan 0.000 0.471 491 D N 1.370 121.805 120.400 0.057 0.000 2.123 491 D HA -0.060 4.580 4.640 0.000 0.000 0.200 491 D C 0.021 176.379 176.300 0.097 0.000 0.976 491 D CA 1.038 55.081 54.000 0.072 0.000 0.831 491 D CB 0.374 41.208 40.800 0.057 0.000 0.974 491 D HN 0.263 nan 8.370 nan 0.000 0.469 492 L N 0.877 122.152 121.223 0.087 0.000 2.349 492 L HA 0.365 4.705 4.340 0.000 0.000 0.278 492 L C -0.864 176.069 176.870 0.105 0.000 0.996 492 L CA -0.797 54.101 54.840 0.096 0.000 0.825 492 L CB 1.906 44.008 42.059 0.071 0.000 1.243 492 L HN -0.146 nan 8.230 nan 0.000 0.412 493 V N 2.777 122.777 119.914 0.143 0.000 2.864 493 V HA 0.839 4.959 4.120 0.000 0.000 0.314 493 V C -0.921 175.283 176.094 0.184 0.000 1.073 493 V CA -0.742 61.638 62.300 0.133 0.000 0.956 493 V CB 1.953 33.848 31.823 0.119 0.000 1.023 493 V HN 0.417 nan 8.190 nan 0.000 0.435 494 V N 4.118 124.114 119.914 0.136 0.000 2.487 494 V HA 0.522 4.642 4.120 0.000 0.000 0.298 494 V C -0.477 175.694 176.094 0.129 0.000 1.028 494 V CA -0.464 61.924 62.300 0.146 0.000 0.860 494 V CB 1.461 33.330 31.823 0.076 0.000 0.991 494 V HN 0.926 nan 8.190 nan 0.000 0.427 495 L N 8.252 129.584 121.223 0.182 0.000 2.264 495 L HA 0.669 5.009 4.340 0.000 0.000 0.289 495 L C -2.469 174.421 176.870 0.033 0.000 1.044 495 L CA -1.701 53.203 54.840 0.106 0.000 0.807 495 L CB 1.564 43.717 42.059 0.158 0.000 1.192 495 L HN 0.395 nan 8.230 nan 0.000 0.425 496 P HA 0.197 nan 4.420 nan 0.000 0.280 496 P C -1.075 176.209 177.300 -0.027 0.000 1.386 496 P CA -0.294 62.802 63.100 -0.007 0.000 0.899 496 P CB 0.766 32.467 31.700 0.002 0.000 1.098 497 L N 3.457 124.645 121.223 -0.058 0.000 2.265 497 L HA 0.374 4.714 4.340 0.000 0.000 0.289 497 L C -0.072 176.705 176.870 -0.154 0.000 1.033 497 L CA -0.032 54.753 54.840 -0.091 0.000 0.814 497 L CB 0.820 42.819 42.059 -0.100 0.000 1.203 497 L HN 0.109 nan 8.230 nan 0.000 0.423 498 S N 6.297 121.906 115.700 -0.152 0.000 2.505 498 S HA 0.485 4.955 4.470 0.000 0.000 0.276 498 S C -0.049 174.268 174.600 -0.470 0.000 1.274 498 S CA -0.430 57.646 58.200 -0.207 0.000 1.053 498 S CB 0.292 63.431 63.200 -0.101 0.000 0.919 498 S HN 0.392 nan 8.310 nan 0.000 0.490 499 I N 4.303 124.575 120.570 -0.496 0.000 2.336 499 I HA 0.333 4.503 4.170 0.000 0.000 0.292 499 I C 1.001 176.877 176.117 -0.401 0.000 0.991 499 I CA -0.274 60.558 61.300 -0.780 0.000 1.227 499 I CB 0.646 38.349 38.000 -0.494 0.000 1.366 499 I HN 0.664 nan 8.210 nan 0.000 0.466 500 T N 0.580 114.963 114.554 -0.286 0.000 2.807 500 T HA 0.330 4.680 4.350 0.000 0.000 0.277 500 T C 1.120 175.906 174.700 0.144 0.000 1.006 500 T CA -0.031 62.086 62.100 0.028 0.000 1.006 500 T CB 1.463 70.415 68.868 0.140 0.000 1.274 500 T HN 0.618 nan 8.240 nan 0.000 0.569 501 T N -2.063 112.564 114.554 0.123 0.000 3.085 501 T HA 0.024 4.374 4.350 0.000 0.000 0.263 501 T C 1.017 175.804 174.700 0.145 0.000 1.127 501 T CA 0.721 62.886 62.100 0.109 0.000 1.103 501 T CB -0.601 68.323 68.868 0.092 0.000 0.921 501 T HN 0.527 nan 8.240 nan 0.000 0.510 502 D N 0.874 121.387 120.400 0.189 0.000 2.264 502 D HA 0.044 4.684 4.640 0.000 0.000 0.208 502 D C 1.043 177.359 176.300 0.027 0.000 0.966 502 D CA 0.628 54.688 54.000 0.099 0.000 0.864 502 D CB -0.354 40.465 40.800 0.031 0.000 0.933 502 D HN 0.544 nan 8.370 nan 0.000 0.499 503 F N 0.287 120.209 119.950 -0.047 0.000 2.789 503 F HA 0.192 4.719 4.527 0.000 0.000 0.300 503 F C 1.134 176.944 175.800 0.017 0.000 1.132 503 F CA -0.292 57.677 58.000 -0.052 0.000 1.404 503 F CB 0.168 39.055 39.000 -0.187 0.000 1.114 503 F HN -0.216 nan 8.300 nan 0.000 0.584 504 I N 3.040 123.642 120.570 0.052 0.000 2.696 504 I HA 0.017 4.187 4.170 0.000 0.000 0.284 504 I C -1.262 174.693 176.117 -0.270 0.000 1.129 504 I CA -1.383 59.766 61.300 -0.253 0.000 1.410 504 I CB 0.588 38.267 38.000 -0.536 0.000 1.399 504 I HN -0.171 nan 8.210 nan 0.000 0.579 505 P HA 0.053 nan 4.420 nan 0.000 0.261 505 P C -0.389 176.832 177.300 -0.132 0.000 1.268 505 P CA 0.389 63.226 63.100 -0.438 0.000 0.833 505 P CB 0.395 31.893 31.700 -0.337 0.000 1.231 506 S N -0.791 114.948 115.700 0.065 0.000 2.688 506 S HA 0.620 5.091 4.470 0.000 0.000 0.266 506 S C -1.321 173.508 174.600 0.382 0.000 1.061 506 S CA -0.961 57.328 58.200 0.148 0.000 0.844 506 S CB 0.444 63.659 63.200 0.025 0.000 1.103 506 S HN 0.104 nan 8.310 nan 0.000 0.471 507 F N -1.424 118.668 119.950 0.237 0.000 2.713 507 F HA 0.859 5.387 4.527 0.000 0.000 0.311 507 F C -1.222 174.776 175.800 0.329 0.000 1.141 507 F CA -1.179 56.969 58.000 0.247 0.000 0.939 507 F CB 1.209 40.330 39.000 0.203 0.000 1.325 507 F HN 0.771 nan 8.300 nan 0.000 0.453 508 R N 1.864 122.596 120.500 0.386 0.000 2.562 508 R HA 0.676 5.016 4.340 0.000 0.000 0.298 508 R C -1.830 174.682 176.300 0.353 0.000 0.961 508 R CA -1.128 55.120 56.100 0.246 0.000 0.881 508 R CB 2.113 32.489 30.300 0.127 0.000 1.159 508 R HN 0.703 nan 8.270 nan 0.000 0.450 509 L N 5.027 126.409 121.223 0.266 0.000 2.305 509 L HA 0.513 4.854 4.340 0.000 0.000 0.284 509 L C -1.037 175.931 176.870 0.164 0.000 1.013 509 L CA -0.668 54.345 54.840 0.288 0.000 0.819 509 L CB 1.519 43.757 42.059 0.300 0.000 1.227 509 L HN 0.473 nan 8.230 nan 0.000 0.417 510 V N 4.095 124.131 119.914 0.203 0.000 2.628 510 V HA 1.010 5.130 4.120 0.000 0.000 0.306 510 V C -0.417 175.825 176.094 0.246 0.000 1.045 510 V CA 0.046 62.422 62.300 0.128 0.000 0.905 510 V CB 1.405 33.236 31.823 0.013 0.000 0.997 510 V HN 1.163 nan 8.190 nan 0.000 0.436 511 A N 5.165 128.106 122.820 0.202 0.000 2.423 511 A HA 1.037 5.357 4.320 0.000 0.000 0.304 511 A C -1.156 176.637 177.584 0.347 0.000 1.104 511 A CA -0.497 51.767 52.037 0.378 0.000 0.757 511 A CB 1.839 21.154 19.000 0.526 0.000 1.313 511 A HN 2.171 nan 8.150 nan 0.000 0.423 512 Y N -1.238 119.257 120.300 0.325 0.000 2.581 512 Y HA 0.706 5.256 4.550 0.000 0.000 0.337 512 Y C -1.231 174.878 175.900 0.347 0.000 1.108 512 Y CA -1.517 56.707 58.100 0.207 0.000 1.033 512 Y CB 0.639 39.152 38.460 0.089 0.000 1.318 512 Y HN 0.994 nan 8.280 nan 0.000 0.459 513 Y N -0.215 120.218 120.300 0.222 0.000 2.587 513 Y HA 0.898 5.448 4.550 0.000 0.000 0.337 513 Y C -0.632 175.292 175.900 0.039 0.000 1.065 513 Y CA -0.955 57.132 58.100 -0.022 0.000 1.126 513 Y CB 1.944 40.332 38.460 -0.119 0.000 1.279 513 Y HN 0.931 nan 8.280 nan 0.000 0.489 514 T N 2.966 117.538 114.554 0.030 0.000 2.896 514 T HA 0.788 5.138 4.350 0.000 0.000 0.297 514 T C -1.511 173.146 174.700 -0.072 0.000 1.108 514 T CA -0.582 61.472 62.100 -0.077 0.000 1.004 514 T CB 1.117 69.876 68.868 -0.182 0.000 1.159 514 T HN 1.191 nan 8.240 nan 0.000 0.499 515 L N 0.411 121.589 121.223 -0.075 0.000 2.940 515 L HA 0.746 5.086 4.340 0.000 0.000 0.270 515 L C -1.929 174.892 176.870 -0.081 0.000 1.030 515 L CA -1.341 53.460 54.840 -0.066 0.000 0.928 515 L CB 1.452 43.497 42.059 -0.023 0.000 1.506 515 L HN 0.552 nan 8.230 nan 0.000 0.405 516 I N 1.704 122.231 120.570 -0.070 0.000 2.304 516 I HA 0.631 4.801 4.170 0.000 0.000 0.291 516 I C 0.769 176.821 176.117 -0.107 0.000 1.018 516 I CA 0.573 61.826 61.300 -0.077 0.000 1.260 516 I CB 1.431 39.400 38.000 -0.052 0.000 1.390 516 I HN 0.865 nan 8.210 nan 0.000 0.475 517 G N 3.605 112.295 108.800 -0.183 0.000 2.583 517 G HA2 0.346 4.307 3.960 0.000 0.000 0.214 517 G HA3 0.346 4.307 3.960 0.000 0.000 0.214 517 G C 1.249 175.925 174.900 -0.373 0.000 2.072 517 G CA 0.550 45.398 45.100 -0.419 0.000 0.745 517 G HN 0.618 nan 8.290 nan 0.000 0.762 518 A N 0.167 122.824 122.820 -0.271 0.000 1.885 518 A HA 0.040 4.360 4.320 0.000 0.000 0.215 518 A C 1.800 179.353 177.584 -0.052 0.000 1.255 518 A CA 2.568 54.523 52.037 -0.137 0.000 0.692 518 A CB -1.075 17.872 19.000 -0.089 0.000 0.842 518 A HN 0.861 nan 8.150 nan 0.000 0.465 519 S N -1.713 113.961 115.700 -0.044 0.000 2.062 519 S HA 0.467 4.937 4.470 0.000 0.000 0.163 519 S C 0.530 175.116 174.600 -0.024 0.000 1.612 519 S CA 0.706 58.895 58.200 -0.018 0.000 1.251 519 S CB -0.484 62.709 63.200 -0.012 0.000 1.174 519 S HN 1.994 nan 8.310 nan 0.000 0.428 520 G N 1.984 110.767 108.800 -0.028 0.000 2.155 520 G HA2 -0.235 3.725 3.960 0.000 0.000 0.257 520 G HA3 -0.235 3.725 3.960 0.000 0.000 0.257 520 G C 0.011 174.884 174.900 -0.046 0.000 0.983 520 G CA 0.137 45.219 45.100 -0.030 0.000 0.676 520 G HN 0.600 nan 8.290 nan 0.000 0.528 521 Q N -0.115 119.647 119.800 -0.062 0.000 2.295 521 Q HA 0.365 4.705 4.340 0.000 0.000 0.259 521 Q C 0.661 176.610 176.000 -0.085 0.000 0.976 521 Q CA -0.659 55.103 55.803 -0.068 0.000 0.923 521 Q CB 0.571 29.265 28.738 -0.073 0.000 1.185 521 Q HN 0.319 nan 8.270 nan 0.000 0.410 522 R N 3.206 123.660 120.500 -0.077 0.000 2.316 522 R HA 0.039 4.379 4.340 0.000 0.000 0.314 522 R C -0.897 175.328 176.300 -0.124 0.000 1.069 522 R CA 0.308 56.352 56.100 -0.093 0.000 0.959 522 R CB 0.361 30.613 30.300 -0.079 0.000 0.987 522 R HN 0.564 nan 8.270 nan 0.000 0.446 523 E N 3.475 123.586 120.200 -0.149 0.000 2.176 523 E HA 0.359 4.710 4.350 0.000 0.000 0.267 523 E C -1.352 175.076 176.600 -0.286 0.000 0.893 523 E CA -0.932 55.348 56.400 -0.199 0.000 0.761 523 E CB 1.370 30.981 29.700 -0.147 0.000 1.133 523 E HN 0.383 nan 8.360 nan 0.000 0.409 524 V N 4.992 124.607 119.914 -0.498 0.000 2.370 524 V HA 0.337 4.457 4.120 0.000 0.000 0.279 524 V C -0.435 175.341 176.094 -0.530 0.000 1.029 524 V CA -0.732 61.188 62.300 -0.633 0.000 0.870 524 V CB 1.428 32.595 31.823 -1.095 0.000 0.984 524 V HN 0.512 nan 8.190 nan 0.000 0.451 525 V N 4.139 123.752 119.914 -0.501 0.000 2.409 525 V HA 0.857 4.977 4.120 0.000 0.000 0.291 525 V C 0.239 176.196 176.094 -0.228 0.000 1.020 525 V CA -0.457 61.590 62.300 -0.422 0.000 0.848 525 V CB 1.414 32.729 31.823 -0.846 0.000 0.990 525 V HN 0.979 nan 8.190 nan 0.000 0.430 526 A N 3.378 126.202 122.820 0.006 0.000 2.374 526 A HA 0.904 5.224 4.320 0.000 0.000 0.317 526 A C -1.115 176.431 177.584 -0.063 0.000 1.094 526 A CA -0.445 51.568 52.037 -0.041 0.000 0.765 526 A CB 1.932 20.759 19.000 -0.288 0.000 1.268 526 A HN 0.756 nan 8.150 nan 0.000 0.438 527 D N -0.634 119.722 120.400 -0.074 0.000 2.559 527 D HA 0.746 5.386 4.640 0.000 0.000 0.250 527 D C -0.618 175.631 176.300 -0.085 0.000 1.135 527 D CA 0.414 54.363 54.000 -0.085 0.000 0.955 527 D CB 2.174 42.914 40.800 -0.099 0.000 1.442 527 D HN 0.837 nan 8.370 nan 0.000 0.471 528 S N -0.242 115.419 115.700 -0.064 0.000 2.570 528 S HA 0.763 5.234 4.470 0.000 0.000 0.270 528 S C -1.757 172.825 174.600 -0.031 0.000 1.149 528 S CA -0.733 57.442 58.200 -0.041 0.000 0.837 528 S CB 1.538 64.724 63.200 -0.024 0.000 1.124 528 S HN 0.369 nan 8.310 nan 0.000 0.465 529 V N 1.656 121.560 119.914 -0.016 0.000 2.888 529 V HA 0.664 4.784 4.120 0.000 0.000 0.309 529 V C -1.881 174.244 176.094 0.053 0.000 1.114 529 V CA -0.435 61.856 62.300 -0.016 0.000 0.940 529 V CB 2.112 33.866 31.823 -0.115 0.000 1.021 529 V HN 0.993 nan 8.190 nan 0.000 0.426 530 W N 6.222 127.425 121.300 -0.160 0.000 2.349 530 W HA 0.722 5.382 4.660 0.000 0.000 0.309 530 W C -1.052 175.272 176.519 -0.325 0.000 1.083 530 W CA -1.033 56.188 57.345 -0.206 0.000 1.224 530 W CB 1.379 30.767 29.460 -0.119 0.000 1.256 530 W HN 0.325 nan 8.180 nan 0.000 0.461 531 V N 6.596 126.220 119.914 -0.483 0.000 2.417 531 V HA 0.140 4.261 4.120 0.000 0.000 0.291 531 V C -0.173 175.516 176.094 -0.674 0.000 1.024 531 V CA -0.826 61.049 62.300 -0.708 0.000 0.861 531 V CB 1.440 32.684 31.823 -0.965 0.000 0.985 531 V HN 0.423 nan 8.190 nan 0.000 0.436 532 D N 3.403 123.472 120.400 -0.552 0.000 2.302 532 D HA 0.451 5.092 4.640 0.000 0.000 0.248 532 D C -0.633 175.532 176.300 -0.225 0.000 1.094 532 D CA 0.198 53.943 54.000 -0.426 0.000 0.897 532 D CB 1.737 42.255 40.800 -0.471 0.000 1.200 532 D HN 0.271 nan 8.370 nan 0.000 0.429 533 V N 3.380 123.211 119.914 -0.139 0.000 2.680 533 V HA 0.240 4.360 4.120 0.000 0.000 0.309 533 V C -0.072 175.936 176.094 -0.144 0.000 1.052 533 V CA -1.119 61.140 62.300 -0.068 0.000 0.908 533 V CB 1.855 33.717 31.823 0.064 0.000 1.001 533 V HN 0.534 nan 8.190 nan 0.000 0.431 534 K N 3.123 123.448 120.400 -0.125 0.000 2.472 534 K HA 0.030 4.350 4.320 0.000 0.000 0.280 534 K C -0.443 176.045 176.600 -0.186 0.000 1.028 534 K CA 0.453 56.658 56.287 -0.136 0.000 1.045 534 K CB 0.000 32.442 32.500 -0.097 0.000 0.902 534 K HN 0.572 nan 8.250 nan 0.000 0.478 535 D N 2.091 122.362 120.400 -0.215 0.000 2.264 535 D HA 0.296 4.936 4.640 0.000 0.000 0.250 535 D C -0.423 175.806 176.300 -0.117 0.000 1.113 535 D CA 0.147 53.949 54.000 -0.331 0.000 0.871 535 D CB 1.098 41.687 40.800 -0.351 0.000 1.167 535 D HN 0.646 nan 8.370 nan 0.000 0.447 536 S N 0.419 116.091 115.700 -0.046 0.000 2.672 536 S HA 0.412 4.882 4.470 0.000 0.000 0.271 536 S C -0.512 174.282 174.600 0.323 0.000 1.171 536 S CA -0.918 57.356 58.200 0.123 0.000 0.817 536 S CB 0.367 63.595 63.200 0.047 0.000 1.150 536 S HN 0.465 nan 8.310 nan 0.000 0.478 537 C N 1.796 121.247 119.300 0.251 0.000 2.679 537 C HA 0.237 4.697 4.460 0.000 0.000 0.417 537 C C 2.416 177.537 174.990 0.218 0.000 1.302 537 C CA -0.249 58.910 59.018 0.235 0.000 1.973 537 C CB -0.234 27.563 27.740 0.094 0.000 2.715 537 C HN 0.676 nan 8.230 nan 0.000 0.628 538 V N 3.363 123.430 119.914 0.256 0.000 2.295 538 V HA -0.036 4.085 4.120 0.000 0.000 0.246 538 V C 1.759 177.918 176.094 0.109 0.000 1.049 538 V CA 2.351 64.759 62.300 0.181 0.000 1.024 538 V CB -1.296 30.645 31.823 0.196 0.000 0.648 538 V HN 1.093 nan 8.190 nan 0.000 0.447 539 G N -0.507 108.344 108.800 0.086 0.000 2.773 539 G HA2 0.520 4.480 3.960 0.000 0.000 0.186 539 G HA3 0.520 4.480 3.960 0.000 0.000 0.186 539 G C -0.372 174.556 174.900 0.047 0.000 1.411 539 G CA 0.421 45.556 45.100 0.057 0.000 1.054 539 G HN 0.626 nan 8.290 nan 0.000 0.579 540 S N -1.619 114.101 115.700 0.034 0.000 2.540 540 S HA 0.653 5.123 4.470 0.000 0.000 0.275 540 S C -1.618 172.993 174.600 0.018 0.000 1.123 540 S CA -0.653 57.562 58.200 0.026 0.000 0.907 540 S CB 2.080 65.296 63.200 0.027 0.000 1.081 540 S HN 0.883 nan 8.310 nan 0.000 0.476 541 L N 2.441 123.671 121.223 0.011 0.000 2.541 541 L HA 0.669 5.009 4.340 0.000 0.000 0.266 541 L C -1.662 175.212 176.870 0.006 0.000 0.966 541 L CA -0.322 54.522 54.840 0.006 0.000 0.871 541 L CB 1.707 43.761 42.059 -0.008 0.000 1.232 541 L HN 0.744 nan 8.230 nan 0.000 0.408 542 V N 5.267 125.188 119.914 0.011 0.000 2.448 542 V HA 0.651 4.772 4.120 0.000 0.000 0.295 542 V C -0.470 175.632 176.094 0.013 0.000 1.025 542 V CA -0.756 61.551 62.300 0.011 0.000 0.859 542 V CB 1.993 33.823 31.823 0.012 0.000 0.988 542 V HN 0.420 nan 8.190 nan 0.000 0.431 543 V N 5.652 125.574 119.914 0.013 0.000 2.409 543 V HA 0.714 4.834 4.120 0.000 0.000 0.291 543 V C -0.157 175.947 176.094 0.018 0.000 1.020 543 V CA -0.637 61.673 62.300 0.017 0.000 0.848 543 V CB 1.261 33.096 31.823 0.019 0.000 0.990 543 V HN 1.082 nan 8.190 nan 0.000 0.430 544 K N 1.928 122.339 120.400 0.018 0.000 2.507 544 K HA 0.696 5.016 4.320 0.000 0.000 0.284 544 K C -0.466 176.145 176.600 0.018 0.000 1.038 544 K CA -0.685 55.612 56.287 0.018 0.000 0.903 544 K CB 1.588 34.097 32.500 0.016 0.000 1.531 544 K HN 0.405 nan 8.250 nan 0.000 0.430 545 S N -1.239 114.471 115.700 0.018 0.000 2.572 545 S HA 0.321 4.791 4.470 0.000 0.000 0.279 545 S C 0.755 175.364 174.600 0.015 0.000 1.341 545 S CA 0.220 58.430 58.200 0.017 0.000 1.043 545 S CB 0.354 63.564 63.200 0.017 0.000 0.887 545 S HN 0.741 nan 8.310 nan 0.000 0.516 546 G N 2.180 110.989 108.800 0.014 0.000 2.784 546 G HA2 0.138 4.098 3.960 0.000 0.000 0.208 546 G HA3 0.138 4.098 3.960 0.000 0.000 0.208 546 G C -0.164 174.742 174.900 0.011 0.000 1.120 546 G CA -0.270 44.838 45.100 0.012 0.000 0.774 546 G HN 0.692 nan 8.290 nan 0.000 0.528 547 Q N 1.854 121.660 119.800 0.011 0.000 2.300 547 Q HA 0.300 4.640 4.340 0.000 0.000 0.262 547 Q C 0.553 176.559 176.000 0.010 0.000 1.109 547 Q CA -0.131 55.677 55.803 0.010 0.000 0.905 547 Q CB 0.910 29.654 28.738 0.010 0.000 1.280 547 Q HN 0.288 nan 8.270 nan 0.000 0.426 548 S N 2.834 118.539 115.700 0.008 0.000 3.911 548 S HA 0.115 4.585 4.470 0.000 0.000 0.188 548 S C -0.060 174.545 174.600 0.008 0.000 1.147 548 S CA -0.233 57.972 58.200 0.008 0.000 0.961 548 S CB -0.299 62.905 63.200 0.007 0.000 1.582 548 S HN 0.700 nan 8.310 nan 0.000 0.458 549 E N 0.307 120.512 120.200 0.009 0.000 2.338 549 E HA 0.203 4.553 4.350 0.000 0.000 0.277 549 E C -1.721 174.885 176.600 0.010 0.000 1.213 549 E CA -0.527 55.878 56.400 0.009 0.000 0.946 549 E CB 0.575 30.279 29.700 0.007 0.000 1.223 549 E HN 0.437 nan 8.360 nan 0.000 0.412 550 D N -0.328 120.078 120.400 0.010 0.000 10.477 550 D HA -0.065 4.575 4.640 0.000 0.000 0.342 550 D C -0.870 175.438 176.300 0.012 0.000 3.140 550 D CA 0.116 54.122 54.000 0.010 0.000 2.631 550 D CB 0.065 40.870 40.800 0.008 0.000 1.274 550 D HN 0.402 nan 8.370 nan 0.000 0.953 551 R N 0.242 120.749 120.500 0.011 0.000 2.697 551 R HA 0.388 4.728 4.340 0.000 0.000 0.262 551 R C 0.273 176.582 176.300 0.015 0.000 1.255 551 R CA -0.231 55.877 56.100 0.014 0.000 1.136 551 R CB 0.139 30.446 30.300 0.011 0.000 1.169 551 R HN 0.303 nan 8.270 nan 0.000 0.594 552 Q N 1.985 121.795 119.800 0.018 0.000 2.300 552 Q HA 0.107 4.447 4.340 0.000 0.000 0.280 552 Q C -1.816 174.192 176.000 0.012 0.000 1.033 552 Q CA -1.256 54.559 55.803 0.021 0.000 0.903 552 Q CB 0.259 29.015 28.738 0.029 0.000 1.195 552 Q HN 0.355 nan 8.270 nan 0.000 0.386 553 P HA -0.036 nan 4.420 nan 0.000 0.268 553 P C -0.815 176.485 177.300 -0.000 0.000 1.208 553 P CA 0.010 63.115 63.100 0.008 0.000 0.777 553 P CB 0.631 32.339 31.700 0.012 0.000 0.875 554 V N 3.717 123.627 119.914 -0.006 0.000 2.630 554 V HA 0.305 4.425 4.120 0.000 0.000 0.305 554 V C -2.083 174.002 176.094 -0.016 0.000 1.046 554 V CA -2.251 60.038 62.300 -0.017 0.000 0.934 554 V CB 1.372 33.184 31.823 -0.018 0.000 1.003 554 V HN 0.538 nan 8.190 nan 0.000 0.451 555 P HA 0.179 nan 4.420 nan 0.000 0.261 555 P C 0.748 178.040 177.300 -0.014 0.000 1.173 555 P CA 1.629 64.718 63.100 -0.019 0.000 0.760 555 P CB 0.310 31.992 31.700 -0.029 0.000 0.783 556 G N 1.540 110.335 108.800 -0.009 0.000 2.199 556 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 556 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 556 G C 0.318 175.215 174.900 -0.004 0.000 0.982 556 G CA -0.053 45.043 45.100 -0.007 0.000 0.632 556 G HN 0.662 nan 8.290 nan 0.000 0.529 557 Q N 0.551 120.349 119.800 -0.003 0.000 2.392 557 Q HA 0.414 4.754 4.340 0.000 0.000 0.262 557 Q C 0.293 176.294 176.000 0.002 0.000 1.003 557 Q CA 0.096 55.899 55.803 -0.001 0.000 0.888 557 Q CB 0.267 29.004 28.738 -0.001 0.000 1.260 557 Q HN 0.565 nan 8.270 nan 0.000 0.435 558 Q N 2.951 122.753 119.800 0.002 0.000 2.267 558 Q HA 0.389 4.729 4.340 0.000 0.000 0.255 558 Q C -0.570 175.434 176.000 0.006 0.000 0.923 558 Q CA -0.084 55.722 55.803 0.004 0.000 0.925 558 Q CB 1.217 29.957 28.738 0.003 0.000 1.195 558 Q HN 0.568 nan 8.270 nan 0.000 0.417 559 M N -0.879 118.726 119.600 0.009 0.000 2.631 559 M HA 0.609 5.089 4.480 0.000 0.000 0.288 559 M C -1.038 175.269 176.300 0.011 0.000 1.260 559 M CA -0.819 54.487 55.300 0.010 0.000 0.842 559 M CB 2.257 34.865 32.600 0.013 0.000 1.743 559 M HN 0.168 nan 8.290 nan 0.000 0.461 560 T N 2.835 117.396 114.554 0.012 0.000 2.733 560 T HA 0.545 4.895 4.350 0.000 0.000 0.294 560 T C -0.691 174.018 174.700 0.015 0.000 0.956 560 T CA -0.498 61.610 62.100 0.012 0.000 0.987 560 T CB 0.744 69.619 68.868 0.011 0.000 0.920 560 T HN 0.535 nan 8.240 nan 0.000 0.470 561 L N 3.657 124.889 121.223 0.016 0.000 2.350 561 L HA 0.518 4.859 4.340 0.000 0.000 0.275 561 L C 0.137 177.018 176.870 0.017 0.000 1.099 561 L CA -0.043 54.808 54.840 0.018 0.000 0.808 561 L CB 0.744 42.815 42.059 0.020 0.000 1.149 561 L HN 0.482 nan 8.230 nan 0.000 0.442 562 K N 5.145 125.555 120.400 0.018 0.000 2.376 562 K HA 0.579 4.899 4.320 0.000 0.000 0.257 562 K C -1.588 175.023 176.600 0.019 0.000 0.939 562 K CA -0.535 55.762 56.287 0.017 0.000 0.809 562 K CB 1.057 33.567 32.500 0.015 0.000 1.121 562 K HN 0.613 nan 8.250 nan 0.000 0.425 563 I N 3.386 123.968 120.570 0.020 0.000 2.389 563 I HA 0.253 4.423 4.170 0.000 0.000 0.288 563 I C -0.586 175.545 176.117 0.023 0.000 0.999 563 I CA -0.570 60.743 61.300 0.022 0.000 1.129 563 I CB 1.952 39.967 38.000 0.024 0.000 1.288 563 I HN 0.514 nan 8.210 nan 0.000 0.444 564 E N 4.473 124.686 120.200 0.022 0.000 2.158 564 E HA 0.748 5.098 4.350 0.000 0.000 0.271 564 E C -0.199 176.416 176.600 0.026 0.000 0.911 564 E CA -0.598 55.816 56.400 0.024 0.000 0.767 564 E CB 2.316 32.028 29.700 0.019 0.000 1.120 564 E HN 0.804 nan 8.360 nan 0.000 0.405 565 G N 2.146 110.967 108.800 0.034 0.000 2.608 565 G HA2 0.144 4.105 3.960 0.000 0.000 0.291 565 G HA3 0.144 4.105 3.960 0.000 0.000 0.291 565 G C -1.340 173.591 174.900 0.052 0.000 1.425 565 G CA -0.827 44.295 45.100 0.036 0.000 0.787 565 G HN 0.406 nan 8.290 nan 0.000 0.484 566 D N 0.716 121.146 120.400 0.050 0.000 2.417 566 D HA 0.141 4.781 4.640 0.000 0.000 0.250 566 D C 0.306 176.664 176.300 0.097 0.000 1.166 566 D CA 0.330 54.371 54.000 0.069 0.000 0.881 566 D CB 0.968 41.798 40.800 0.051 0.000 1.164 566 D HN 0.393 nan 8.370 nan 0.000 0.467 567 H N 0.981 120.060 119.070 0.015 0.000 3.195 567 H HA 0.058 4.614 4.556 0.000 0.000 0.302 567 H C 1.448 176.785 175.328 0.015 0.000 0.950 567 H CA 1.514 57.570 56.048 0.014 0.000 1.398 567 H CB 0.038 29.808 29.762 0.013 0.000 1.377 567 H HN 0.714 nan 8.280 nan 0.000 0.572 568 G N 2.383 110.985 108.800 -0.329 0.000 2.213 568 G HA2 -0.215 3.745 3.960 0.000 0.000 0.236 568 G HA3 -0.215 3.745 3.960 0.000 0.000 0.236 568 G C 0.489 175.318 174.900 -0.118 0.000 0.991 568 G CA 0.119 45.025 45.100 -0.324 0.000 0.629 568 G HN 1.075 nan 8.290 nan 0.000 0.517 569 A N 0.384 123.172 122.820 -0.052 0.000 2.477 569 A HA 0.624 4.944 4.320 0.000 0.000 0.246 569 A C 0.732 178.315 177.584 -0.001 0.000 1.078 569 A CA 0.861 52.889 52.037 -0.014 0.000 0.770 569 A CB 0.174 19.177 19.000 0.005 0.000 1.011 569 A HN 0.949 nan 8.150 nan 0.000 0.494 570 R N 2.204 122.711 120.500 0.011 0.000 2.298 570 R HA 0.458 4.798 4.340 0.000 0.000 0.310 570 R C -1.248 175.079 176.300 0.045 0.000 1.068 570 R CA -0.121 55.995 56.100 0.026 0.000 0.957 570 R CB 0.458 30.779 30.300 0.034 0.000 1.003 570 R HN 0.442 nan 8.270 nan 0.000 0.454 571 V N 6.319 126.258 119.914 0.043 0.000 2.495 571 V HA 0.413 4.533 4.120 0.000 0.000 0.298 571 V C -0.392 175.740 176.094 0.063 0.000 1.031 571 V CA -0.694 61.636 62.300 0.049 0.000 0.871 571 V CB 1.632 33.476 31.823 0.035 0.000 0.988 571 V HN 0.680 nan 8.190 nan 0.000 0.432 572 V N 4.187 124.155 119.914 0.091 0.000 2.680 572 V HA 0.831 4.951 4.120 0.000 0.000 0.309 572 V C -0.909 175.240 176.094 0.093 0.000 1.052 572 V CA -0.554 61.807 62.300 0.101 0.000 0.908 572 V CB 1.804 33.721 31.823 0.157 0.000 1.001 572 V HN 0.680 nan 8.190 nan 0.000 0.431 573 L N 3.778 125.046 121.223 0.075 0.000 2.277 573 L HA 0.972 5.312 4.340 0.000 0.000 0.254 573 L C -0.844 176.069 176.870 0.071 0.000 1.044 573 L CA -1.104 53.776 54.840 0.066 0.000 0.842 573 L CB 2.346 44.435 42.059 0.049 0.000 1.422 573 L HN 0.718 nan 8.230 nan 0.000 0.422 574 V N 0.204 120.160 119.914 0.070 0.000 3.036 574 V HA 0.771 4.891 4.120 0.000 0.000 0.280 574 V C -1.702 174.435 176.094 0.072 0.000 1.497 574 V CA -0.200 62.144 62.300 0.073 0.000 0.982 574 V CB 2.105 33.986 31.823 0.096 0.000 1.171 574 V HN 0.861 nan 8.190 nan 0.000 0.444 575 A N 5.341 128.197 122.820 0.059 0.000 2.343 575 A HA 0.920 5.240 4.320 0.000 0.000 0.316 575 A C -1.306 176.302 177.584 0.039 0.000 1.104 575 A CA -0.530 51.540 52.037 0.055 0.000 0.768 575 A CB 1.856 20.881 19.000 0.040 0.000 1.213 575 A HN 1.279 nan 8.150 nan 0.000 0.456 576 V N 2.717 122.656 119.914 0.042 0.000 2.531 576 V HA 0.246 4.366 4.120 0.000 0.000 0.301 576 V C -0.404 175.632 176.094 -0.096 0.000 1.034 576 V CA -0.868 61.408 62.300 -0.040 0.000 0.865 576 V CB 1.783 33.593 31.823 -0.022 0.000 0.995 576 V HN 0.973 nan 8.190 nan 0.000 0.424 577 D N 3.716 124.035 120.400 -0.135 0.000 2.472 577 D HA 0.007 4.647 4.640 0.000 0.000 0.248 577 D C 1.071 177.208 176.300 -0.272 0.000 1.174 577 D CA 0.383 54.305 54.000 -0.131 0.000 0.883 577 D CB 0.991 41.734 40.800 -0.095 0.000 1.149 577 D HN 0.516 nan 8.370 nan 0.000 0.488 578 K N 2.311 122.628 120.400 -0.138 0.000 2.515 578 K HA -0.049 4.272 4.320 0.000 0.000 0.196 578 K C 1.796 178.306 176.600 -0.149 0.000 1.038 578 K CA 0.545 56.765 56.287 -0.112 0.000 0.967 578 K CB 0.117 32.679 32.500 0.104 0.000 0.780 578 K HN 0.509 nan 8.250 nan 0.000 0.483 579 G N 0.886 109.601 108.800 -0.141 0.000 2.448 579 G HA2 -0.191 3.769 3.960 0.000 0.000 0.219 579 G HA3 -0.191 3.769 3.960 0.000 0.000 0.219 579 G C 1.465 176.237 174.900 -0.214 0.000 1.127 579 G CA 0.366 45.390 45.100 -0.126 0.000 0.766 579 G HN 0.092 nan 8.290 nan 0.000 0.552 580 V N 0.512 120.203 119.914 -0.373 0.000 2.392 580 V HA -0.145 3.975 4.120 0.000 0.000 0.249 580 V C 2.301 178.167 176.094 -0.379 0.000 1.059 580 V CA 1.374 63.394 62.300 -0.467 0.000 1.051 580 V CB -0.586 30.855 31.823 -0.636 0.000 0.658 580 V HN 0.341 nan 8.190 nan 0.000 0.455 581 F N -0.942 118.956 119.950 -0.087 0.000 2.780 581 F HA 0.111 4.638 4.527 0.000 0.000 0.299 581 F C 2.024 177.770 175.800 -0.090 0.000 1.146 581 F CA -0.109 57.843 58.000 -0.079 0.000 1.428 581 F CB -1.046 37.925 39.000 -0.049 0.000 1.115 581 F HN -0.043 nan 8.300 nan 0.000 0.583 582 V N -0.525 119.391 119.914 0.005 0.000 2.548 582 V HA -0.195 3.925 4.120 0.000 0.000 0.249 582 V C 2.252 178.290 176.094 -0.093 0.000 1.055 582 V CA 1.104 63.367 62.300 -0.062 0.000 1.065 582 V CB -0.360 31.383 31.823 -0.133 0.000 0.681 582 V HN 0.162 nan 8.190 nan 0.000 0.462 583 L N -0.307 120.837 121.223 -0.130 0.000 2.131 583 L HA 0.203 4.543 4.340 0.000 0.000 0.206 583 L C 0.902 177.704 176.870 -0.113 0.000 1.087 583 L CA 1.314 56.050 54.840 -0.174 0.000 0.767 583 L CB -0.661 41.193 42.059 -0.340 0.000 0.917 583 L HN 0.463 nan 8.230 nan 0.000 0.441 584 N N -0.599 118.071 118.700 -0.049 0.000 2.666 584 N HA 0.071 4.812 4.740 0.000 0.000 0.260 584 N C -0.645 174.941 175.510 0.128 0.000 1.077 584 N CA -0.066 52.992 53.050 0.013 0.000 1.026 584 N CB 1.116 39.594 38.487 -0.015 0.000 1.653 584 N HN 0.197 nan 8.380 nan 0.000 0.533 585 K N 1.184 121.637 120.400 0.088 0.000 2.592 585 K HA 0.361 4.681 4.320 0.000 0.000 0.203 585 K C -0.381 176.217 176.600 -0.004 0.000 1.070 585 K CA -0.456 55.861 56.287 0.050 0.000 1.062 585 K CB 0.577 33.067 32.500 -0.017 0.000 0.814 585 K HN 0.185 nan 8.250 nan 0.000 0.502 586 K N 1.197 121.619 120.400 0.037 0.000 2.098 586 K HA 0.281 4.601 4.320 0.000 0.000 0.261 586 K C -0.453 176.184 176.600 0.063 0.000 0.987 586 K CA -0.567 55.741 56.287 0.035 0.000 0.916 586 K CB 0.827 33.351 32.500 0.041 0.000 1.039 586 K HN 0.260 nan 8.250 nan 0.000 0.455 587 N N 0.033 118.768 118.700 0.059 0.000 2.967 587 N HA -0.165 4.576 4.740 0.000 0.000 0.241 587 N C -1.147 174.420 175.510 0.094 0.000 0.983 587 N CA 0.558 53.663 53.050 0.092 0.000 0.918 587 N CB -0.848 37.718 38.487 0.132 0.000 1.109 587 N HN 0.466 nan 8.380 nan 0.000 0.567 588 K N 0.678 121.106 120.400 0.046 0.000 2.355 588 K HA 0.298 4.618 4.320 0.000 0.000 0.270 588 K C -0.069 176.546 176.600 0.026 0.000 1.003 588 K CA -0.417 55.885 56.287 0.025 0.000 0.957 588 K CB 0.696 33.150 32.500 -0.076 0.000 0.939 588 K HN 0.057 nan 8.250 nan 0.000 0.482 589 L N 1.369 122.612 121.223 0.033 0.000 2.350 589 L HA 0.320 4.660 4.340 0.000 0.000 0.275 589 L C -0.456 176.375 176.870 -0.066 0.000 1.099 589 L CA 0.816 55.657 54.840 0.003 0.000 0.808 589 L CB 1.578 43.656 42.059 0.031 0.000 1.149 589 L HN 0.559 nan 8.230 nan 0.000 0.442 590 T N 2.407 116.894 114.554 -0.112 0.000 2.932 590 T HA 0.167 4.518 4.350 0.000 0.000 0.318 590 T C 0.105 174.691 174.700 -0.190 0.000 1.265 590 T CA -0.279 61.751 62.100 -0.118 0.000 1.036 590 T CB 1.847 70.675 68.868 -0.068 0.000 1.209 590 T HN 0.642 nan 8.240 nan 0.000 0.484 591 Q N 1.250 120.947 119.800 -0.172 0.000 2.119 591 Q HA 0.008 4.348 4.340 0.000 0.000 0.201 591 Q C 2.293 178.196 176.000 -0.161 0.000 0.972 591 Q CA 2.069 57.730 55.803 -0.238 0.000 0.847 591 Q CB -0.414 28.259 28.738 -0.109 0.000 0.903 591 Q HN 0.600 nan 8.270 nan 0.000 0.433 592 S N -0.156 115.540 115.700 -0.007 0.000 2.372 592 S HA -0.214 4.256 4.470 0.000 0.000 0.227 592 S C 1.585 176.202 174.600 0.028 0.000 1.044 592 S CA 1.692 59.934 58.200 0.071 0.000 1.050 592 S CB -0.130 63.098 63.200 0.047 0.000 0.901 592 S HN 0.428 nan 8.310 nan 0.000 0.447 593 K N 0.066 120.441 120.400 -0.041 0.000 2.283 593 K HA 0.064 4.384 4.320 0.000 0.000 0.202 593 K C 1.895 178.465 176.600 -0.049 0.000 1.048 593 K CA 0.945 57.227 56.287 -0.009 0.000 0.948 593 K CB -0.157 32.349 32.500 0.009 0.000 0.742 593 K HN 0.430 nan 8.250 nan 0.000 0.458 594 I N -0.757 119.640 120.570 -0.289 0.000 2.277 594 I HA -0.198 3.972 4.170 0.000 0.000 0.243 594 I C 1.775 177.682 176.117 -0.349 0.000 1.094 594 I CA 1.172 62.127 61.300 -0.575 0.000 1.393 594 I CB -0.155 37.184 38.000 -1.102 0.000 1.078 594 I HN 0.255 nan 8.210 nan 0.000 0.417 595 W N 1.144 122.391 121.300 -0.089 0.000 2.425 595 W HA -0.206 4.455 4.660 0.000 0.000 0.277 595 W C 2.178 178.700 176.519 0.006 0.000 1.231 595 W CA 0.707 58.036 57.345 -0.027 0.000 1.248 595 W CB -0.305 29.144 29.460 -0.018 0.000 1.117 595 W HN 0.204 nan 8.180 nan 0.000 0.568 596 D N 0.016 120.539 120.400 0.205 0.000 2.117 596 D HA -0.170 4.471 4.640 0.000 0.000 0.198 596 D C 1.983 178.359 176.300 0.128 0.000 0.982 596 D CA 1.390 55.482 54.000 0.154 0.000 0.828 596 D CB -0.174 40.697 40.800 0.118 0.000 0.967 596 D HN -0.084 nan 8.370 nan 0.000 0.464 597 V N -0.103 119.869 119.914 0.097 0.000 2.407 597 V HA -0.197 3.923 4.120 0.000 0.000 0.248 597 V C 2.570 178.622 176.094 -0.069 0.000 1.055 597 V CA 1.221 63.543 62.300 0.038 0.000 1.049 597 V CB -0.281 31.579 31.823 0.062 0.000 0.662 597 V HN 0.169 nan 8.190 nan 0.000 0.455 598 V N -0.178 119.702 119.914 -0.056 0.000 2.261 598 V HA -0.245 3.875 4.120 0.000 0.000 0.246 598 V C 2.600 178.828 176.094 0.223 0.000 1.047 598 V CA 2.242 64.589 62.300 0.079 0.000 1.015 598 V CB -0.602 31.402 31.823 0.302 0.000 0.642 598 V HN 0.582 nan 8.190 nan 0.000 0.446 599 E N 0.431 120.770 120.200 0.233 0.000 2.150 599 E HA -0.228 4.122 4.350 0.000 0.000 0.193 599 E C 2.171 178.883 176.600 0.188 0.000 0.985 599 E CA 1.146 57.684 56.400 0.231 0.000 0.814 599 E CB -0.043 29.801 29.700 0.241 0.000 0.752 599 E HN 0.545 nan 8.360 nan 0.000 0.466 600 K N -0.319 120.176 120.400 0.160 0.000 2.362 600 K HA -0.027 4.293 4.320 0.000 0.000 0.200 600 K C 1.497 178.184 176.600 0.145 0.000 1.046 600 K CA 0.857 57.224 56.287 0.134 0.000 0.952 600 K CB 0.085 32.655 32.500 0.116 0.000 0.753 600 K HN 0.026 nan 8.250 nan 0.000 0.466 601 A N 0.860 123.799 122.820 0.197 0.000 2.379 601 A HA 0.052 4.372 4.320 0.000 0.000 0.236 601 A C -0.477 177.217 177.584 0.183 0.000 1.272 601 A CA -0.264 51.920 52.037 0.244 0.000 0.886 601 A CB 0.088 19.366 19.000 0.463 0.000 0.962 601 A HN 0.060 nan 8.150 nan 0.000 0.504 602 D N 0.291 120.774 120.400 0.138 0.000 2.455 602 D HA 0.092 4.732 4.640 0.000 0.000 0.241 602 D C 1.483 177.805 176.300 0.037 0.000 1.138 602 D CA 0.176 54.228 54.000 0.087 0.000 0.877 602 D CB 0.734 41.557 40.800 0.039 0.000 1.187 602 D HN 0.468 nan 8.370 nan 0.000 0.451 603 I N -0.274 120.309 120.570 0.021 0.000 3.226 603 I HA 0.243 4.413 4.170 0.000 0.000 0.277 603 I C 0.971 177.081 176.117 -0.012 0.000 1.243 603 I CA -0.034 61.267 61.300 0.003 0.000 1.459 603 I CB 0.142 38.141 38.000 -0.003 0.000 1.093 603 I HN 0.174 nan 8.210 nan 0.000 0.453 604 G N 0.015 108.794 108.800 -0.036 0.000 2.503 604 G HA2 0.343 4.304 3.960 0.000 0.000 0.257 604 G HA3 0.343 4.304 3.960 0.000 0.000 0.257 604 G C 0.005 174.809 174.900 -0.160 0.000 1.214 604 G CA -0.305 44.741 45.100 -0.091 0.000 0.839 604 G HN 0.455 nan 8.290 nan 0.000 0.559 605 c N -0.086 118.413 118.600 -0.169 0.000 3.642 605 c HA 0.448 5.018 4.570 0.000 0.000 0.305 605 c C 0.905 174.880 174.090 -0.192 0.000 1.492 605 c CA -0.021 56.218 56.329 -0.149 0.000 1.809 605 c CB -0.489 41.987 42.510 -0.058 0.000 2.639 605 c HN 0.686 nan 8.230 nan 0.000 0.672 606 T N 1.159 115.557 114.554 -0.260 0.000 2.900 606 T HA 0.310 4.660 4.350 0.000 0.000 0.303 606 T C -2.308 172.245 174.700 -0.245 0.000 1.142 606 T CA -0.318 61.690 62.100 -0.153 0.000 1.007 606 T CB 2.213 71.079 68.868 -0.004 0.000 1.156 606 T HN -0.193 nan 8.240 nan 0.000 0.490 607 P HA 0.223 nan 4.420 nan 0.000 0.230 607 P C 0.537 177.946 177.300 0.181 0.000 1.158 607 P CA 0.678 63.910 63.100 0.221 0.000 0.769 607 P CB 0.057 31.963 31.700 0.344 0.000 0.807 608 G N -2.724 106.151 108.800 0.125 0.000 2.359 608 G HA2 0.254 4.214 3.960 0.000 0.000 0.303 608 G HA3 0.254 4.214 3.960 0.000 0.000 0.303 608 G C -0.256 174.751 174.900 0.178 0.000 1.293 608 G CA -0.216 44.952 45.100 0.114 0.000 0.964 608 G HN 0.099 nan 8.290 nan 0.000 0.531 609 S N -2.302 113.476 115.700 0.129 0.000 2.991 609 S HA 0.347 4.818 4.470 0.000 0.000 0.630 609 S C 1.038 175.675 174.600 0.061 0.000 3.057 609 S CA 2.405 60.691 58.200 0.144 0.000 3.520 609 S CB -0.970 62.395 63.200 0.275 0.000 0.309 609 S HN 3.021 nan 8.310 nan 0.000 1.629 610 G N -0.604 108.125 108.800 -0.118 0.000 2.328 610 G HA2 0.460 4.420 3.960 0.000 0.000 0.295 610 G HA3 0.460 4.420 3.960 0.000 0.000 0.295 610 G C -0.129 174.161 174.900 -1.018 0.000 1.413 610 G CA 0.316 45.030 45.100 -0.644 0.000 0.817 610 G HN 0.942 nan 8.290 nan 0.000 0.546 611 K N -1.054 118.672 120.400 -1.122 0.000 2.288 611 K HA 0.202 4.522 4.320 0.000 0.000 0.201 611 K C 0.268 176.502 176.600 -0.609 0.000 1.048 611 K CA 1.589 57.458 56.287 -0.696 0.000 0.956 611 K CB -0.051 32.242 32.500 -0.345 0.000 0.746 611 K HN 0.588 nan 8.250 nan 0.000 0.461 612 D N -1.269 118.723 120.400 -0.681 0.000 2.779 612 D HA -0.045 4.595 4.640 0.000 0.000 0.331 612 D C 0.654 176.636 176.300 -0.530 0.000 1.331 612 D CA -0.786 52.694 54.000 -0.867 0.000 0.866 612 D CB -0.144 40.321 40.800 -0.559 0.000 1.409 612 D HN 0.005 nan 8.370 nan 0.000 0.486 613 Y N -0.851 119.271 120.300 -0.297 0.000 2.207 613 Y HA 0.106 4.656 4.550 0.000 0.000 0.287 613 Y C 2.102 178.011 175.900 0.014 0.000 1.156 613 Y CA 1.684 59.757 58.100 -0.045 0.000 1.182 613 Y CB -0.999 37.441 38.460 -0.034 0.000 0.979 613 Y HN 0.421 nan 8.280 nan 0.000 0.521 614 A N 1.483 123.831 122.820 -0.786 0.000 1.873 614 A HA 0.011 4.331 4.320 0.000 0.000 0.215 614 A C 2.514 180.013 177.584 -0.142 0.000 1.186 614 A CA 1.562 53.343 52.037 -0.426 0.000 0.616 614 A CB -1.634 17.004 19.000 -0.603 0.000 0.823 614 A HN 0.617 nan 8.150 nan 0.000 0.442 615 G N -0.408 108.251 108.800 -0.236 0.000 2.422 615 G HA2 -0.118 3.842 3.960 0.000 0.000 0.218 615 G HA3 -0.118 3.842 3.960 0.000 0.000 0.218 615 G C 1.502 176.330 174.900 -0.121 0.000 1.146 615 G CA 1.259 46.250 45.100 -0.181 0.000 0.769 615 G HN 0.308 nan 8.290 nan 0.000 0.547 616 V N 0.519 120.358 119.914 -0.126 0.000 2.255 616 V HA -0.199 3.921 4.120 0.000 0.000 0.247 616 V C 2.503 178.530 176.094 -0.111 0.000 1.051 616 V CA 1.935 64.161 62.300 -0.122 0.000 1.018 616 V CB -0.723 31.004 31.823 -0.159 0.000 0.641 616 V HN 0.310 nan 8.190 nan 0.000 0.445 617 F N 0.613 120.563 119.950 0.000 0.000 2.046 617 F HA -0.188 4.339 4.527 0.000 0.000 0.297 617 F C 2.817 178.632 175.800 0.025 0.000 1.123 617 F CA 2.085 60.105 58.000 0.033 0.000 1.199 617 F CB -1.087 37.941 39.000 0.046 0.000 0.972 617 F HN -0.010 nan 8.300 nan 0.000 0.474 618 S N -0.206 115.613 115.700 0.200 0.000 2.353 618 S HA -0.213 4.257 4.470 0.000 0.000 0.222 618 S C 1.658 176.292 174.600 0.055 0.000 1.035 618 S CA 1.639 59.900 58.200 0.102 0.000 1.025 618 S CB -0.485 62.746 63.200 0.051 0.000 0.902 618 S HN 0.326 nan 8.310 nan 0.000 0.440 619 D N 1.293 121.707 120.400 0.023 0.000 2.228 619 D HA -0.044 4.596 4.640 0.000 0.000 0.203 619 D C 1.593 177.884 176.300 -0.014 0.000 0.988 619 D CA 1.107 55.109 54.000 0.003 0.000 0.864 619 D CB -0.221 40.581 40.800 0.004 0.000 0.928 619 D HN 0.433 nan 8.370 nan 0.000 0.469 620 A N -0.825 122.004 122.820 0.014 0.000 2.308 620 A HA 0.485 4.805 4.320 0.000 0.000 0.217 620 A C 1.577 179.187 177.584 0.044 0.000 1.216 620 A CA 0.777 52.820 52.037 0.010 0.000 0.864 620 A CB 0.130 19.152 19.000 0.037 0.000 0.902 620 A HN 0.205 nan 8.150 nan 0.000 0.499 621 G N -0.989 107.848 108.800 0.061 0.000 2.140 621 G HA2 -0.150 3.811 3.960 0.000 0.000 0.211 621 G HA3 -0.150 3.811 3.960 0.000 0.000 0.211 621 G C -0.234 174.731 174.900 0.108 0.000 1.013 621 G CA 0.195 45.334 45.100 0.065 0.000 0.705 621 G HN 0.442 nan 8.290 nan 0.000 0.508 622 L N 0.743 122.066 121.223 0.167 0.000 2.354 622 L HA 0.779 5.119 4.340 0.000 0.000 0.269 622 L C 0.928 177.910 176.870 0.186 0.000 1.005 622 L CA -0.613 54.355 54.840 0.212 0.000 0.819 622 L CB 2.232 44.504 42.059 0.355 0.000 1.311 622 L HN 0.332 nan 8.230 nan 0.000 0.423 623 T N -1.241 113.384 114.554 0.118 0.000 2.918 623 T HA 0.655 5.005 4.350 0.000 0.000 0.283 623 T C -0.814 173.868 174.700 -0.030 0.000 1.001 623 T CA -0.463 61.667 62.100 0.051 0.000 1.041 623 T CB 1.674 70.556 68.868 0.024 0.000 1.028 623 T HN 0.389 nan 8.240 nan 0.000 0.511 624 F N 0.535 120.293 119.950 -0.319 0.000 2.588 624 F HA 0.586 5.113 4.527 0.000 0.000 0.314 624 F C -1.340 174.301 175.800 -0.265 0.000 1.134 624 F CA -0.303 57.395 58.000 -0.504 0.000 0.961 624 F CB 2.035 40.262 39.000 -1.289 0.000 1.239 624 F HN 0.839 nan 8.300 nan 0.000 0.448 625 T N 3.601 117.596 114.554 -0.932 0.000 2.971 625 T HA 0.541 4.891 4.350 0.000 0.000 0.304 625 T C -1.021 173.213 174.700 -0.777 0.000 1.038 625 T CA -0.828 60.898 62.100 -0.623 0.000 1.007 625 T CB 1.501 70.206 68.868 -0.273 0.000 1.055 625 T HN 0.699 nan 8.240 nan 0.000 0.451 626 S N 0.733 116.109 115.700 -0.540 0.000 2.648 626 S HA 0.558 5.028 4.470 0.000 0.000 0.305 626 S C 1.434 175.943 174.600 -0.150 0.000 1.094 626 S CA -0.252 57.747 58.200 -0.335 0.000 0.983 626 S CB 1.620 64.703 63.200 -0.195 0.000 1.101 626 S HN 0.695 nan 8.310 nan 0.000 0.514 627 S N 1.194 116.833 115.700 -0.101 0.000 2.442 627 S HA -0.081 4.389 4.470 0.000 0.000 0.236 627 S C 1.318 175.900 174.600 -0.030 0.000 1.007 627 S CA 0.989 59.170 58.200 -0.032 0.000 0.965 627 S CB -0.862 62.363 63.200 0.042 0.000 0.773 627 S HN 0.700 nan 8.310 nan 0.000 0.504 628 S N 0.761 116.434 115.700 -0.045 0.000 2.593 628 S HA 0.474 4.944 4.470 0.000 0.000 0.217 628 S C 1.427 176.019 174.600 -0.014 0.000 0.966 628 S CA 0.243 58.425 58.200 -0.030 0.000 0.914 628 S CB 0.027 63.205 63.200 -0.038 0.000 0.776 628 S HN 1.045 nan 8.310 nan 0.000 0.523 629 G N 1.009 109.800 108.800 -0.015 0.000 2.144 629 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 629 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 629 G C -0.274 174.652 174.900 0.043 0.000 0.988 629 G CA -0.601 44.500 45.100 0.001 0.000 0.659 629 G HN 0.443 nan 8.290 nan 0.000 0.522 630 Q N 0.700 120.546 119.800 0.078 0.000 2.295 630 Q HA 0.596 4.936 4.340 0.000 0.000 0.259 630 Q C 0.397 176.555 176.000 0.264 0.000 0.976 630 Q CA 0.414 56.357 55.803 0.233 0.000 0.923 630 Q CB 0.858 29.753 28.738 0.262 0.000 1.185 630 Q HN 0.826 nan 8.270 nan 0.000 0.410 631 Q N -0.469 119.497 119.800 0.277 0.000 2.522 631 Q HA 0.583 4.924 4.340 0.000 0.000 0.285 631 Q C -1.068 174.999 176.000 0.112 0.000 0.982 631 Q CA -1.139 54.771 55.803 0.178 0.000 0.805 631 Q CB 0.720 29.464 28.738 0.011 0.000 1.457 631 Q HN 0.512 nan 8.270 nan 0.000 0.394 632 T N -0.803 113.796 114.554 0.075 0.000 2.926 632 T HA 0.563 4.914 4.350 0.000 0.000 0.307 632 T C 0.654 175.342 174.700 -0.020 0.000 1.059 632 T CA -0.152 61.954 62.100 0.010 0.000 1.122 632 T CB 0.761 69.656 68.868 0.045 0.000 0.972 632 T HN 0.776 nan 8.240 nan 0.000 0.545 633 A N 2.145 124.940 122.820 -0.042 0.000 2.507 633 A HA 0.184 4.505 4.320 0.000 0.000 0.235 633 A C 0.703 178.270 177.584 -0.027 0.000 1.070 633 A CA -0.464 51.548 52.037 -0.041 0.000 0.768 633 A CB -0.178 18.794 19.000 -0.046 0.000 1.011 633 A HN 0.927 nan 8.150 nan 0.000 0.502 634 Q N 0.324 120.100 119.800 -0.041 0.000 2.300 634 Q HA 0.079 4.419 4.340 0.000 0.000 0.280 634 Q C 0.205 176.207 176.000 0.002 0.000 1.033 634 Q CA 0.164 55.943 55.803 -0.041 0.000 0.903 634 Q CB 0.321 28.999 28.738 -0.100 0.000 1.195 634 Q HN 0.645 nan 8.270 nan 0.000 0.386 635 R N 3.093 123.617 120.500 0.040 0.000 2.202 635 R HA 0.351 4.691 4.340 0.000 0.000 0.334 635 R C -0.288 176.104 176.300 0.153 0.000 1.036 635 R CA 0.335 56.478 56.100 0.071 0.000 0.878 635 R CB 0.639 30.975 30.300 0.060 0.000 1.067 635 R HN 0.702 nan 8.270 nan 0.000 0.457 636 A N 3.853 126.767 122.820 0.156 0.000 2.288 636 A HA 0.172 4.492 4.320 0.000 0.000 0.216 636 A C -0.078 177.586 177.584 0.133 0.000 1.199 636 A CA -0.007 52.194 52.037 0.274 0.000 0.891 636 A CB 0.345 19.514 19.000 0.282 0.000 0.923 636 A HN 0.615 nan 8.150 nan 0.000 0.500 637 E N -0.046 120.198 120.200 0.074 0.000 2.227 637 E HA 0.451 4.801 4.350 0.000 0.000 0.282 637 E C 0.586 177.192 176.600 0.011 0.000 1.015 637 E CA -0.359 56.062 56.400 0.036 0.000 0.823 637 E CB 1.216 30.936 29.700 0.033 0.000 1.081 637 E HN 0.308 nan 8.360 nan 0.000 0.396 638 L N 1.802 123.021 121.223 -0.007 0.000 2.478 638 L HA -0.036 4.305 4.340 0.000 0.000 0.223 638 L C 0.617 177.486 176.870 -0.001 0.000 1.140 638 L CA 0.734 55.563 54.840 -0.019 0.000 0.842 638 L CB 0.113 42.154 42.059 -0.031 0.000 0.953 638 L HN 0.397 nan 8.230 nan 0.000 0.452 639 Q N -1.959 117.846 119.800 0.007 0.000 2.378 639 Q HA 0.353 4.693 4.340 0.000 0.000 0.276 639 Q C -0.781 175.228 176.000 0.014 0.000 1.083 639 Q CA -0.494 55.317 55.803 0.014 0.000 0.856 639 Q CB 2.235 30.981 28.738 0.015 0.000 1.383 639 Q HN 0.025 nan 8.270 nan 0.000 0.458 640 c N 2.621 121.229 118.600 0.013 0.000 2.652 640 c HA 0.311 4.881 4.570 0.000 0.000 0.412 640 c C -1.857 172.242 174.090 0.015 0.000 1.294 640 c CA -0.938 55.397 56.329 0.010 0.000 2.127 640 c CB -0.710 41.801 42.510 0.000 0.000 2.691 640 c HN 0.631 nan 8.230 nan 0.000 0.615 641 P HA 0.248 nan 4.420 nan 0.000 0.261 641 P C -0.293 177.021 177.300 0.024 0.000 1.183 641 P CA 0.768 63.881 63.100 0.022 0.000 0.761 641 P CB 0.379 32.094 31.700 0.026 0.000 0.785 642 Q N 0.000 119.814 119.800 0.024 0.000 2.315 642 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 642 Q CA 0.000 55.819 55.803 0.026 0.000 1.022 642 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481