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 2xwb_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREFKXXKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NPRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.555 174.600 -0.075 0.000 1.055 1 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 1 S CB 0.000 63.186 63.200 -0.024 0.000 0.593 2 P HA 0.249 nan 4.420 nan 0.000 0.265 2 P C -0.641 176.430 177.300 -0.382 0.000 1.193 2 P CA -0.075 62.859 63.100 -0.277 0.000 0.765 2 P CB 0.310 31.854 31.700 -0.260 0.000 0.823 3 M N 3.802 123.108 119.600 -0.489 0.000 2.190 3 M HA 0.357 4.837 4.480 0.000 0.000 0.312 3 M C -1.744 174.216 176.300 -0.567 0.000 0.990 3 M CA -0.723 54.362 55.300 -0.358 0.000 0.927 3 M CB 1.015 33.555 32.600 -0.099 0.000 1.571 3 M HN 0.260 nan 8.290 nan 0.000 0.427 4 Y N 2.632 122.765 120.300 -0.279 0.000 2.328 4 Y HA 0.499 5.050 4.550 0.000 0.000 0.337 4 Y C 0.388 176.032 175.900 -0.427 0.000 0.966 4 Y CA -0.526 57.207 58.100 -0.613 0.000 1.136 4 Y CB 1.601 39.228 38.460 -1.388 0.000 1.170 4 Y HN 0.696 nan 8.280 nan 0.000 0.470 5 S N 2.786 118.394 115.700 -0.153 0.000 2.739 5 S HA 0.862 5.332 4.470 0.000 0.000 0.306 5 S C -1.237 173.309 174.600 -0.090 0.000 1.115 5 S CA -0.693 57.374 58.200 -0.222 0.000 0.985 5 S CB 2.341 65.422 63.200 -0.199 0.000 1.133 5 S HN 0.537 nan 8.310 nan 0.000 0.541 6 I N -0.017 120.396 120.570 -0.262 0.000 2.722 6 I HA 0.596 4.766 4.170 0.000 0.000 0.292 6 I C -2.007 174.037 176.117 -0.122 0.000 1.267 6 I CA -1.092 60.174 61.300 -0.056 0.000 1.036 6 I CB 1.710 39.728 38.000 0.030 0.000 1.281 6 I HN 0.865 nan 8.210 nan 0.000 0.423 7 I N 6.591 127.188 120.570 0.046 0.000 2.478 7 I HA 0.583 4.753 4.170 0.000 0.000 0.287 7 I C -0.764 175.433 176.117 0.134 0.000 1.042 7 I CA -0.386 60.976 61.300 0.103 0.000 1.067 7 I CB 2.144 40.288 38.000 0.241 0.000 1.233 7 I HN 0.689 nan 8.210 nan 0.000 0.431 8 T N 2.902 117.529 114.554 0.121 0.000 2.900 8 T HA 0.572 4.922 4.350 0.000 0.000 0.303 8 T C -2.996 171.778 174.700 0.123 0.000 1.142 8 T CA -2.404 59.777 62.100 0.134 0.000 1.007 8 T CB 2.145 71.104 68.868 0.152 0.000 1.156 8 T HN 0.067 nan 8.240 nan 0.000 0.490 9 P HA 0.156 nan 4.420 nan 0.000 0.267 9 P C 0.624 177.973 177.300 0.082 0.000 1.201 9 P CA -0.145 63.010 63.100 0.091 0.000 0.775 9 P CB 0.419 32.150 31.700 0.052 0.000 0.854 10 N N 1.144 119.892 118.700 0.081 0.000 2.137 10 N HA -0.109 4.631 4.740 0.000 0.000 0.190 10 N C 0.536 176.078 175.510 0.053 0.000 1.017 10 N CA 1.404 54.496 53.050 0.070 0.000 0.859 10 N CB -0.353 38.175 38.487 0.068 0.000 1.002 10 N HN 0.439 nan 8.380 nan 0.000 0.428 11 I N 1.055 121.641 120.570 0.027 0.000 2.447 11 I HA 0.244 4.414 4.170 0.000 0.000 0.287 11 I C -0.464 175.632 176.117 -0.035 0.000 1.023 11 I CA -0.594 60.701 61.300 -0.009 0.000 1.083 11 I CB 2.087 40.065 38.000 -0.036 0.000 1.245 11 I HN -0.197 nan 8.210 nan 0.000 0.434 12 L N 6.117 127.322 121.223 -0.030 0.000 2.375 12 L HA 0.483 4.823 4.340 0.000 0.000 0.271 12 L C 0.182 176.974 176.870 -0.131 0.000 1.107 12 L CA -0.529 54.282 54.840 -0.049 0.000 0.806 12 L CB 0.765 42.847 42.059 0.039 0.000 1.146 12 L HN 0.545 nan 8.230 nan 0.000 0.447 13 R N 2.619 123.010 120.500 -0.181 0.000 2.532 13 R HA 0.587 4.927 4.340 0.000 0.000 0.295 13 R C -0.931 175.248 176.300 -0.202 0.000 0.968 13 R CA -0.838 55.115 56.100 -0.246 0.000 0.916 13 R CB 1.558 31.633 30.300 -0.375 0.000 1.124 13 R HN 0.454 nan 8.270 nan 0.000 0.463 14 L N 2.220 123.323 121.223 -0.200 0.000 2.395 14 L HA 0.155 4.495 4.340 0.000 0.000 0.269 14 L C 0.445 177.236 176.870 -0.131 0.000 1.133 14 L CA 0.015 54.740 54.840 -0.192 0.000 0.812 14 L CB 0.465 42.386 42.059 -0.229 0.000 1.125 14 L HN 0.743 nan 8.230 nan 0.000 0.452 15 E N 0.338 120.474 120.200 -0.108 0.000 2.389 15 E HA -0.205 4.145 4.350 0.000 0.000 0.243 15 E C -0.526 176.034 176.600 -0.067 0.000 1.154 15 E CA 0.576 56.931 56.400 -0.074 0.000 0.723 15 E CB -1.204 28.452 29.700 -0.073 0.000 1.261 15 E HN 0.729 nan 8.360 nan 0.000 0.390 16 S N -1.245 114.403 115.700 -0.086 0.000 2.643 16 S HA 0.484 4.954 4.470 0.000 0.000 0.270 16 S C -0.907 173.607 174.600 -0.144 0.000 1.166 16 S CA -1.219 56.928 58.200 -0.089 0.000 0.815 16 S CB 1.847 64.999 63.200 -0.080 0.000 1.139 16 S HN 0.134 nan 8.310 nan 0.000 0.472 17 E N 1.162 121.274 120.200 -0.146 0.000 2.063 17 E HA 0.294 4.644 4.350 0.000 0.000 0.265 17 E C -0.887 175.541 176.600 -0.286 0.000 0.919 17 E CA -0.557 55.714 56.400 -0.215 0.000 0.756 17 E CB 0.880 30.505 29.700 -0.125 0.000 1.120 17 E HN 0.400 nan 8.360 nan 0.000 0.414 18 E N 2.208 122.092 120.200 -0.526 0.000 2.259 18 E HA 0.149 4.499 4.350 0.000 0.000 0.281 18 E C -0.137 176.201 176.600 -0.437 0.000 1.027 18 E CA -0.160 55.947 56.400 -0.487 0.000 0.838 18 E CB 1.398 30.755 29.700 -0.572 0.000 1.066 18 E HN 0.277 nan 8.360 nan 0.000 0.401 19 T N 2.690 117.145 114.554 -0.166 0.000 2.899 19 T HA 0.374 4.724 4.350 0.000 0.000 0.295 19 T C 0.427 175.164 174.700 0.061 0.000 1.033 19 T CA -0.155 61.920 62.100 -0.041 0.000 1.084 19 T CB 0.532 69.402 68.868 0.003 0.000 0.979 19 T HN 0.337 nan 8.240 nan 0.000 0.532 20 M N 2.765 122.441 119.600 0.128 0.000 2.149 20 M HA 0.408 4.888 4.480 0.000 0.000 0.273 20 M C -1.723 174.664 176.300 0.145 0.000 0.972 20 M CA -0.653 54.757 55.300 0.183 0.000 0.984 20 M CB 1.198 33.968 32.600 0.283 0.000 1.699 20 M HN 0.316 nan 8.290 nan 0.000 0.462 21 V N 6.246 126.252 119.914 0.152 0.000 2.406 21 V HA 0.414 4.534 4.120 0.000 0.000 0.272 21 V C -0.228 175.976 176.094 0.183 0.000 1.043 21 V CA -0.362 62.035 62.300 0.160 0.000 0.915 21 V CB 1.204 33.141 31.823 0.190 0.000 0.988 21 V HN 0.764 nan 8.190 nan 0.000 0.466 22 L N 5.540 126.873 121.223 0.184 0.000 2.329 22 L HA 0.690 5.030 4.340 0.000 0.000 0.279 22 L C 0.022 177.035 176.870 0.238 0.000 1.014 22 L CA -0.279 54.712 54.840 0.252 0.000 0.814 22 L CB 1.807 44.012 42.059 0.243 0.000 1.257 22 L HN 0.655 nan 8.230 nan 0.000 0.424 23 E N 1.487 121.831 120.200 0.240 0.000 2.456 23 E HA 0.844 5.195 4.350 0.000 0.000 0.276 23 E C -1.453 175.092 176.600 -0.091 0.000 0.981 23 E CA -1.100 55.349 56.400 0.082 0.000 0.814 23 E CB 2.672 32.473 29.700 0.168 0.000 1.382 23 E HN 0.571 nan 8.360 nan 0.000 0.459 24 A N 1.734 124.298 122.820 -0.427 0.000 2.485 24 A HA 0.432 4.752 4.320 0.000 0.000 0.285 24 A C -1.726 175.385 177.584 -0.790 0.000 1.045 24 A CA -0.692 51.021 52.037 -0.540 0.000 0.792 24 A CB 0.740 19.613 19.000 -0.211 0.000 1.307 24 A HN 0.601 nan 8.150 nan 0.000 0.406 25 H N 2.721 121.608 119.070 -0.305 0.000 2.860 25 H HA 0.352 4.908 4.556 0.000 0.000 0.312 25 H C -0.831 174.345 175.328 -0.253 0.000 0.995 25 H CA -0.524 55.412 56.048 -0.186 0.000 1.311 25 H CB 1.785 31.531 29.762 -0.026 0.000 1.478 25 H HN 0.674 nan 8.280 nan 0.000 0.508 26 D N 1.756 122.064 120.400 -0.154 0.000 2.856 26 D HA 0.259 4.899 4.640 0.000 0.000 0.283 26 D C 1.218 177.309 176.300 -0.349 0.000 1.051 26 D CA 1.051 54.936 54.000 -0.191 0.000 0.965 26 D CB 0.315 41.078 40.800 -0.062 0.000 1.201 26 D HN 0.774 nan 8.370 nan 0.000 0.474 27 A N -0.050 122.642 122.820 -0.214 0.000 6.890 27 A HA -0.195 4.125 4.320 0.000 0.000 0.242 27 A C -0.318 177.216 177.584 -0.083 0.000 2.184 27 A CA 0.694 52.650 52.037 -0.136 0.000 0.705 27 A CB -0.900 18.027 19.000 -0.122 0.000 0.983 27 A HN 0.202 nan 8.150 nan 0.000 0.384 28 Q N -1.194 118.628 119.800 0.037 0.000 2.511 28 Q HA 0.585 4.925 4.340 0.000 0.000 0.289 28 Q C 0.389 176.481 176.000 0.154 0.000 1.021 28 Q CA -0.217 55.656 55.803 0.117 0.000 0.785 28 Q CB 1.990 30.771 28.738 0.072 0.000 1.472 28 Q HN 2.898 nan 8.270 nan 0.000 0.411 29 G N 1.234 110.120 108.800 0.143 0.000 2.601 29 G HA2 -0.218 3.742 3.960 0.000 0.000 0.252 29 G HA3 -0.218 3.742 3.960 0.000 0.000 0.252 29 G C -1.027 173.941 174.900 0.112 0.000 1.294 29 G CA -0.157 45.002 45.100 0.097 0.000 0.912 29 G HN 0.597 nan 8.290 nan 0.000 0.574 30 D N -0.602 119.844 120.400 0.076 0.000 2.312 30 D HA 0.540 5.180 4.640 0.000 0.000 0.248 30 D C 0.119 176.486 176.300 0.111 0.000 1.086 30 D CA 0.489 54.531 54.000 0.071 0.000 0.948 30 D CB 1.865 42.687 40.800 0.037 0.000 1.162 30 D HN 1.067 nan 8.370 nan 0.000 0.446 31 V N 2.020 122.007 119.914 0.122 0.000 2.637 31 V HA 0.284 4.404 4.120 0.000 0.000 0.274 31 V C -2.807 173.346 176.094 0.099 0.000 1.004 31 V CA -1.732 60.653 62.300 0.142 0.000 0.894 31 V CB 1.760 33.733 31.823 0.251 0.000 1.046 31 V HN 0.316 nan 8.190 nan 0.000 0.467 32 P HA 0.269 nan 4.420 nan 0.000 0.267 32 P C -1.012 176.255 177.300 -0.055 0.000 1.200 32 P CA 0.252 63.349 63.100 -0.005 0.000 0.772 32 P CB 0.908 32.599 31.700 -0.016 0.000 0.855 33 V N 2.173 122.024 119.914 -0.104 0.000 2.623 33 V HA 0.455 4.575 4.120 0.000 0.000 0.304 33 V C -0.144 175.825 176.094 -0.207 0.000 1.054 33 V CA -0.560 61.594 62.300 -0.243 0.000 0.882 33 V CB 2.145 33.783 31.823 -0.307 0.000 1.002 33 V HN 0.650 nan 8.190 nan 0.000 0.424 34 T N 1.147 115.557 114.554 -0.239 0.000 2.977 34 T HA 0.603 4.953 4.350 0.000 0.000 0.346 34 T C -0.572 174.006 174.700 -0.203 0.000 1.140 34 T CA -0.575 61.420 62.100 -0.175 0.000 1.040 34 T CB 0.914 69.707 68.868 -0.125 0.000 1.046 34 T HN 0.270 nan 8.240 nan 0.000 0.494 35 V N 4.299 124.094 119.914 -0.197 0.000 2.488 35 V HA 0.436 4.557 4.120 0.000 0.000 0.277 35 V C 0.466 176.428 176.094 -0.219 0.000 1.046 35 V CA -0.112 62.058 62.300 -0.216 0.000 0.986 35 V CB 0.907 32.608 31.823 -0.204 0.000 0.989 35 V HN 1.033 nan 8.190 nan 0.000 0.475 36 T N 4.590 119.003 114.554 -0.235 0.000 2.879 36 T HA 0.518 4.868 4.350 0.000 0.000 0.290 36 T C -0.527 173.927 174.700 -0.411 0.000 0.993 36 T CA -0.416 61.502 62.100 -0.303 0.000 0.975 36 T CB 1.694 70.421 68.868 -0.235 0.000 0.981 36 T HN 0.305 nan 8.240 nan 0.000 0.439 37 V N 4.503 124.128 119.914 -0.483 0.000 2.384 37 V HA 0.458 4.578 4.120 0.000 0.000 0.287 37 V C -0.422 175.436 176.094 -0.392 0.000 1.020 37 V CA -0.746 61.319 62.300 -0.393 0.000 0.850 37 V CB 0.835 32.423 31.823 -0.392 0.000 0.987 37 V HN 0.891 nan 8.190 nan 0.000 0.436 38 H N 1.685 120.759 119.070 0.007 0.000 2.810 38 H HA 0.605 5.161 4.556 0.000 0.000 0.316 38 H C -0.200 175.204 175.328 0.126 0.000 1.426 38 H CA -0.813 55.268 56.048 0.055 0.000 1.413 38 H CB 0.844 30.633 29.762 0.045 0.000 1.874 38 H HN 0.736 nan 8.280 nan 0.000 0.737 39 D N -0.509 120.059 120.400 0.280 0.000 2.539 39 D HA 0.285 4.925 4.640 0.000 0.000 0.280 39 D C -0.894 175.603 176.300 0.329 0.000 1.208 39 D CA -0.530 53.627 54.000 0.263 0.000 1.088 39 D CB 0.903 41.764 40.800 0.103 0.000 1.149 39 D HN 0.369 nan 8.370 nan 0.000 0.596 40 F N -1.021 119.000 119.950 0.118 0.000 2.654 40 F HA 0.403 4.930 4.527 0.000 0.000 0.314 40 F C -2.694 173.164 175.800 0.097 0.000 1.116 40 F CA -1.305 56.760 58.000 0.109 0.000 1.017 40 F CB 1.502 40.601 39.000 0.165 0.000 1.285 40 F HN 0.150 nan 8.300 nan 0.000 0.448 41 P HA 0.672 nan 4.420 nan 0.000 0.277 41 P C -0.324 176.712 177.300 -0.440 0.000 1.276 41 P CA 0.361 62.804 63.100 -1.095 0.000 0.788 41 P CB 0.602 31.794 31.700 -0.847 0.000 1.114 42 G N -0.261 108.310 108.800 -0.380 0.000 2.730 42 G HA2 -0.177 3.783 3.960 0.000 0.000 0.686 42 G HA3 -0.177 3.783 3.960 0.000 0.000 0.686 42 G C -0.345 174.488 174.900 -0.112 0.000 1.343 42 G CA -0.387 44.600 45.100 -0.190 0.000 0.826 42 G HN 0.687 nan 8.290 nan 0.000 0.582 43 K N 0.230 120.563 120.400 -0.113 0.000 2.811 43 K HA 0.168 4.489 4.320 0.000 0.000 0.217 43 K C 0.966 177.535 176.600 -0.052 0.000 1.115 43 K CA -0.240 55.953 56.287 -0.156 0.000 1.179 43 K CB -0.267 32.091 32.500 -0.237 0.000 0.994 43 K HN 0.497 nan 8.250 nan 0.000 0.464 44 K N 2.700 123.100 120.400 0.001 0.000 2.250 44 K HA 0.010 4.330 4.320 0.000 0.000 0.277 44 K C -0.125 176.542 176.600 0.113 0.000 1.091 44 K CA -0.155 56.150 56.287 0.029 0.000 1.046 44 K CB -0.145 32.349 32.500 -0.010 0.000 0.982 44 K HN 0.362 nan 8.250 nan 0.000 0.429 45 L N 1.893 123.200 121.223 0.141 0.000 2.375 45 L HA 0.748 5.088 4.340 0.000 0.000 0.268 45 L C -0.678 176.236 176.870 0.074 0.000 1.058 45 L CA -1.061 53.887 54.840 0.179 0.000 0.803 45 L CB 1.615 43.828 42.059 0.257 0.000 1.212 45 L HN 0.251 nan 8.230 nan 0.000 0.451 46 V N 3.017 122.957 119.914 0.043 0.000 2.876 46 V HA 0.370 4.490 4.120 0.000 0.000 0.312 46 V C 0.344 176.439 176.094 0.002 0.000 1.085 46 V CA -0.560 61.742 62.300 0.003 0.000 0.945 46 V CB 2.210 34.008 31.823 -0.041 0.000 1.017 46 V HN 0.962 nan 8.190 nan 0.000 0.428 47 L N 3.080 124.291 121.223 -0.020 0.000 2.121 47 L HA 0.391 4.731 4.340 0.000 0.000 0.200 47 L C 0.449 177.325 176.870 0.010 0.000 1.077 47 L CA 0.665 55.526 54.840 0.035 0.000 0.766 47 L CB 0.083 42.192 42.059 0.083 0.000 0.931 47 L HN 0.654 nan 8.230 nan 0.000 0.452 48 S N -0.942 114.724 115.700 -0.057 0.000 2.603 48 S HA 0.355 4.825 4.470 0.000 0.000 0.274 48 S C -0.931 173.591 174.600 -0.129 0.000 1.168 48 S CA -0.491 57.684 58.200 -0.040 0.000 0.963 48 S CB 2.255 65.496 63.200 0.068 0.000 1.078 48 S HN 0.110 nan 8.310 nan 0.000 0.477 49 S N 2.421 118.070 115.700 -0.085 0.000 2.502 49 S HA 0.698 5.168 4.470 0.000 0.000 0.304 49 S C -1.265 173.298 174.600 -0.062 0.000 1.097 49 S CA -0.522 57.613 58.200 -0.107 0.000 1.045 49 S CB 0.642 63.785 63.200 -0.096 0.000 1.019 49 S HN 0.600 nan 8.310 nan 0.000 0.481 50 E N 2.632 122.788 120.200 -0.074 0.000 2.392 50 E HA 0.567 4.917 4.350 0.000 0.000 0.269 50 E C -1.071 175.494 176.600 -0.058 0.000 0.924 50 E CA -0.805 55.572 56.400 -0.038 0.000 0.784 50 E CB 2.007 31.709 29.700 0.004 0.000 1.292 50 E HN 0.607 nan 8.360 nan 0.000 0.447 51 K N 0.027 120.403 120.400 -0.040 0.000 2.482 51 K HA 0.736 5.056 4.320 0.000 0.000 0.257 51 K C -0.732 175.848 176.600 -0.035 0.000 0.969 51 K CA -0.713 55.543 56.287 -0.050 0.000 0.842 51 K CB 2.489 34.963 32.500 -0.043 0.000 1.359 51 K HN 0.446 nan 8.250 nan 0.000 0.441 52 T N -0.168 114.362 114.554 -0.041 0.000 2.831 52 T HA 0.353 4.703 4.350 0.000 0.000 0.333 52 T C -2.055 172.635 174.700 -0.016 0.000 1.684 52 T CA -0.602 61.486 62.100 -0.020 0.000 1.049 52 T CB 1.323 70.186 68.868 -0.008 0.000 1.518 52 T HN 0.191 nan 8.240 nan 0.000 0.491 53 V N 3.921 123.836 119.914 0.000 0.000 2.531 53 V HA 0.512 4.632 4.120 0.000 0.000 0.301 53 V C -0.181 175.927 176.094 0.023 0.000 1.034 53 V CA -0.862 61.446 62.300 0.014 0.000 0.865 53 V CB 1.691 33.518 31.823 0.006 0.000 0.995 53 V HN 0.781 nan 8.190 nan 0.000 0.424 54 L N 4.494 125.753 121.223 0.060 0.000 2.342 54 L HA 0.364 4.704 4.340 0.000 0.000 0.285 54 L C 0.405 177.240 176.870 -0.059 0.000 1.095 54 L CA 0.215 55.082 54.840 0.046 0.000 0.843 54 L CB 0.534 42.705 42.059 0.185 0.000 1.201 54 L HN 0.623 nan 8.230 nan 0.000 0.445 55 T N 4.286 118.759 114.554 -0.135 0.000 2.837 55 T HA 0.213 4.564 4.350 0.000 0.000 0.285 55 T C -1.641 172.837 174.700 -0.371 0.000 0.984 55 T CA -1.231 60.758 62.100 -0.186 0.000 1.049 55 T CB 1.804 70.612 68.868 -0.100 0.000 0.947 55 T HN 0.304 nan 8.240 nan 0.000 0.472 56 P HA -0.063 nan 4.420 nan 0.000 0.222 56 P C 1.126 178.301 177.300 -0.207 0.000 1.142 56 P CA 0.439 63.291 63.100 -0.412 0.000 0.788 56 P CB 0.049 31.667 31.700 -0.136 0.000 0.767 57 A N -0.643 122.086 122.820 -0.151 0.000 2.119 57 A HA -0.078 4.242 4.320 0.000 0.000 0.217 57 A C 1.800 179.331 177.584 -0.089 0.000 1.153 57 A CA 1.848 53.831 52.037 -0.090 0.000 0.692 57 A CB -1.292 17.671 19.000 -0.062 0.000 0.799 57 A HN 0.331 nan 8.150 nan 0.000 0.458 58 T N -4.543 109.936 114.554 -0.125 0.000 3.174 58 T HA 0.218 4.568 4.350 0.000 0.000 0.269 58 T C 0.367 174.999 174.700 -0.112 0.000 1.017 58 T CA 0.335 62.378 62.100 -0.095 0.000 0.899 58 T CB -0.833 67.991 68.868 -0.073 0.000 1.077 58 T HN 0.586 nan 8.240 nan 0.000 0.552 59 N N 2.262 120.876 118.700 -0.143 0.000 2.714 59 N HA -0.271 4.469 4.740 0.000 0.000 0.250 59 N C -0.768 174.720 175.510 -0.036 0.000 1.117 59 N CA 0.660 53.643 53.050 -0.112 0.000 0.719 59 N CB -1.264 37.125 38.487 -0.162 0.000 1.081 59 N HN 0.741 nan 8.380 nan 0.000 0.557 60 H N -2.406 116.609 119.070 -0.091 0.000 2.819 60 H HA -0.155 4.401 4.556 0.000 0.000 0.323 60 H C -0.444 174.850 175.328 -0.056 0.000 1.243 60 H CA 1.497 57.503 56.048 -0.070 0.000 1.163 60 H CB -1.486 28.205 29.762 -0.118 0.000 1.493 60 H HN 0.428 nan 8.280 nan 0.000 0.434 61 M N 0.315 119.931 119.600 0.027 0.000 2.393 61 M HA 0.519 4.999 4.480 0.000 0.000 0.299 61 M C 0.660 176.988 176.300 0.046 0.000 1.103 61 M CA -0.392 54.936 55.300 0.047 0.000 0.910 61 M CB 2.832 35.443 32.600 0.018 0.000 1.659 61 M HN 0.321 nan 8.290 nan 0.000 0.445 62 G N 1.078 109.923 108.800 0.075 0.000 2.524 62 G HA2 0.488 4.448 3.960 0.000 0.000 0.310 62 G HA3 0.488 4.448 3.960 0.000 0.000 0.310 62 G C -1.399 173.539 174.900 0.063 0.000 1.279 62 G CA -0.404 44.733 45.100 0.061 0.000 0.974 62 G HN 0.657 nan 8.290 nan 0.000 0.484 63 N N 0.946 119.674 118.700 0.047 0.000 2.816 63 N HA 0.372 5.112 4.740 0.000 0.000 0.236 63 N C -0.305 175.234 175.510 0.049 0.000 1.076 63 N CA -0.424 52.654 53.050 0.048 0.000 0.902 63 N CB 1.110 39.617 38.487 0.035 0.000 1.149 63 N HN 0.465 nan 8.380 nan 0.000 0.506 64 V N 0.550 120.505 119.914 0.068 0.000 2.398 64 V HA 0.798 4.919 4.120 0.000 0.000 0.286 64 V C 0.195 176.361 176.094 0.120 0.000 1.026 64 V CA -0.749 61.600 62.300 0.081 0.000 0.868 64 V CB 0.943 32.811 31.823 0.074 0.000 0.982 64 V HN 0.506 nan 8.190 nan 0.000 0.443 65 T N 2.656 117.271 114.554 0.101 0.000 2.861 65 T HA 0.848 5.198 4.350 0.000 0.000 0.287 65 T C -0.758 174.013 174.700 0.117 0.000 1.003 65 T CA -0.519 61.614 62.100 0.056 0.000 0.977 65 T CB 1.615 70.466 68.868 -0.027 0.000 0.996 65 T HN 1.124 nan 8.240 nan 0.000 0.448 66 F N -0.735 119.207 119.950 -0.014 0.000 2.611 66 F HA 0.856 5.383 4.527 0.000 0.000 0.324 66 F C -0.614 175.172 175.800 -0.022 0.000 1.061 66 F CA -1.242 56.746 58.000 -0.021 0.000 0.954 66 F CB 1.389 40.372 39.000 -0.029 0.000 1.301 66 F HN 0.487 nan 8.300 nan 0.000 0.482 67 T N 3.434 118.055 114.554 0.111 0.000 2.912 67 T HA 0.476 4.826 4.350 0.000 0.000 0.326 67 T C -0.142 174.612 174.700 0.091 0.000 1.080 67 T CA -0.314 61.793 62.100 0.011 0.000 1.000 67 T CB 0.264 69.131 68.868 -0.001 0.000 1.008 67 T HN 0.501 nan 8.240 nan 0.000 0.473 68 I N 4.912 125.529 120.570 0.080 0.000 2.496 68 I HA 0.198 4.368 4.170 0.000 0.000 0.285 68 I C -1.857 174.252 176.117 -0.014 0.000 1.080 68 I CA -2.272 59.074 61.300 0.076 0.000 1.404 68 I CB 0.717 38.748 38.000 0.050 0.000 1.403 68 I HN 0.251 nan 8.210 nan 0.000 0.539 69 P HA -0.105 nan 4.420 nan 0.000 0.269 69 P C 0.050 177.300 177.300 -0.084 0.000 1.205 69 P CA 0.395 63.509 63.100 0.024 0.000 0.780 69 P CB 0.424 32.215 31.700 0.151 0.000 0.858 70 A N -0.123 122.674 122.820 -0.037 0.000 2.930 70 A HA -0.182 4.138 4.320 0.000 0.000 0.273 70 A C -0.025 177.616 177.584 0.095 0.000 1.435 70 A CA 0.498 52.552 52.037 0.029 0.000 0.780 70 A CB -2.683 16.328 19.000 0.018 0.000 1.034 70 A HN 0.576 nan 8.150 nan 0.000 0.562 71 N N -1.406 117.399 118.700 0.175 0.000 2.264 71 N HA 0.429 5.169 4.740 0.000 0.000 0.288 71 N C 0.363 176.014 175.510 0.235 0.000 1.094 71 N CA -0.469 52.715 53.050 0.225 0.000 0.817 71 N CB 1.405 40.080 38.487 0.313 0.000 1.604 71 N HN 0.372 nan 8.380 nan 0.000 0.473 72 R N 0.766 121.346 120.500 0.133 0.000 2.323 72 R HA 0.069 4.409 4.340 0.000 0.000 0.198 72 R C 0.070 176.410 176.300 0.066 0.000 0.988 72 R CA 0.752 56.912 56.100 0.101 0.000 1.041 72 R CB 0.279 30.616 30.300 0.062 0.000 0.926 72 R HN 0.445 nan 8.270 nan 0.000 0.476 73 E N -0.252 119.968 120.200 0.033 0.000 2.481 73 E HA -0.082 4.268 4.350 0.000 0.000 0.195 73 E C -0.429 176.009 176.600 -0.270 0.000 1.047 73 E CA 0.511 56.825 56.400 -0.142 0.000 0.867 73 E CB 0.156 29.706 29.700 -0.250 0.000 0.858 73 E HN 0.248 nan 8.360 nan 0.000 0.513 74 F N 1.648 121.613 119.950 0.025 0.000 2.395 74 F HA 0.272 4.799 4.527 0.000 0.000 0.347 74 F C 0.685 176.496 175.800 0.018 0.000 1.157 74 F CA -0.230 57.783 58.000 0.022 0.000 1.272 74 F CB 0.367 39.377 39.000 0.018 0.000 1.607 74 F HN -0.369 nan 8.300 nan 0.000 0.571 79 G N 0.974 109.779 108.800 0.007 0.000 2.752 79 G HA2 -0.200 3.760 3.960 0.000 0.000 0.234 79 G HA3 -0.200 3.760 3.960 0.000 0.000 0.234 79 G C -0.594 174.318 174.900 0.020 0.000 1.367 79 G CA 0.335 45.440 45.100 0.009 0.000 0.879 79 G HN 0.712 nan 8.290 nan 0.000 0.563 80 R N -1.690 118.826 120.500 0.027 0.000 3.773 80 R HA -0.168 4.172 4.340 0.000 0.000 0.514 80 R C 0.099 176.414 176.300 0.026 0.000 0.241 80 R CA 1.247 57.377 56.100 0.049 0.000 1.604 80 R CB -1.513 28.831 30.300 0.073 0.000 1.012 80 R HN 1.185 nan 8.270 nan 0.000 0.561 81 N N 0.750 119.473 118.700 0.039 0.000 2.357 81 N HA 0.431 5.171 4.740 0.000 0.000 0.284 81 N C -1.105 174.312 175.510 -0.155 0.000 1.236 81 N CA -0.744 52.238 53.050 -0.113 0.000 0.774 81 N CB 1.730 40.075 38.487 -0.235 0.000 1.534 81 N HN 0.244 nan 8.380 nan 0.000 0.478 82 K N 0.628 120.835 120.400 -0.321 0.000 2.259 82 K HA 0.610 4.930 4.320 0.000 0.000 0.252 82 K C -1.031 175.336 176.600 -0.388 0.000 0.936 82 K CA -0.422 55.796 56.287 -0.116 0.000 0.810 82 K CB 1.607 34.191 32.500 0.141 0.000 1.143 82 K HN 0.315 nan 8.250 nan 0.000 0.427 83 F N 0.340 120.418 119.950 0.214 0.000 2.611 83 F HA 0.566 5.094 4.527 0.000 0.000 0.324 83 F C -0.279 175.654 175.800 0.221 0.000 1.061 83 F CA -1.159 56.918 58.000 0.128 0.000 0.954 83 F CB 1.734 40.689 39.000 -0.076 0.000 1.301 83 F HN 0.179 nan 8.300 nan 0.000 0.482 84 V N -1.973 118.142 119.914 0.335 0.000 2.789 84 V HA 0.602 4.722 4.120 0.000 0.000 0.311 84 V C -0.590 175.620 176.094 0.193 0.000 1.073 84 V CA -0.762 61.709 62.300 0.285 0.000 0.921 84 V CB 1.274 33.232 31.823 0.224 0.000 1.009 84 V HN 0.726 nan 8.190 nan 0.000 0.426 85 T N 3.745 118.432 114.554 0.222 0.000 3.176 85 T HA 0.323 4.674 4.350 0.000 0.000 0.301 85 T C 0.144 174.911 174.700 0.112 0.000 1.115 85 T CA -0.048 62.155 62.100 0.171 0.000 1.027 85 T CB 0.033 69.048 68.868 0.245 0.000 1.063 85 T HN 0.656 nan 8.240 nan 0.000 0.669 86 V N 4.518 124.451 119.914 0.032 0.000 2.446 86 V HA 0.177 4.297 4.120 0.000 0.000 0.276 86 V C 0.420 176.493 176.094 -0.035 0.000 1.030 86 V CA -0.067 62.201 62.300 -0.053 0.000 1.033 86 V CB 0.519 32.309 31.823 -0.054 0.000 0.993 86 V HN 0.739 nan 8.190 nan 0.000 0.477 87 Q N 3.573 123.337 119.800 -0.061 0.000 2.375 87 Q HA 0.779 5.119 4.340 0.000 0.000 0.271 87 Q C -1.007 174.930 176.000 -0.106 0.000 1.074 87 Q CA -0.746 55.038 55.803 -0.031 0.000 0.808 87 Q CB 2.274 31.048 28.738 0.060 0.000 1.327 87 Q HN 0.836 nan 8.270 nan 0.000 0.441 88 A N 2.335 125.091 122.820 -0.107 0.000 2.402 88 A HA 0.580 4.901 4.320 0.000 0.000 0.291 88 A C -1.115 176.285 177.584 -0.306 0.000 1.051 88 A CA -0.516 51.373 52.037 -0.248 0.000 0.716 88 A CB 1.921 20.759 19.000 -0.271 0.000 1.223 88 A HN 0.610 nan 8.150 nan 0.000 0.425 89 T N 2.384 116.712 114.554 -0.377 0.000 2.758 89 T HA 0.501 4.851 4.350 0.000 0.000 0.285 89 T C -0.786 173.628 174.700 -0.476 0.000 0.981 89 T CA 0.218 62.144 62.100 -0.290 0.000 0.965 89 T CB -0.041 68.732 68.868 -0.158 0.000 0.927 89 T HN 0.343 nan 8.240 nan 0.000 0.448 90 F N 3.184 122.977 119.950 -0.262 0.000 2.441 90 F HA 0.480 5.007 4.527 0.000 0.000 0.337 90 F C 1.523 177.123 175.800 -0.332 0.000 1.182 90 F CA -0.335 57.432 58.000 -0.387 0.000 1.279 90 F CB -0.066 38.401 39.000 -0.888 0.000 1.614 90 F HN 0.925 nan 8.300 nan 0.000 0.574 91 G N 1.049 109.798 108.800 -0.086 0.000 5.426 91 G HA2 -0.379 3.581 3.960 0.000 0.000 0.297 91 G HA3 -0.379 3.581 3.960 0.000 0.000 0.297 91 G C 1.137 176.010 174.900 -0.045 0.000 1.422 91 G CA 0.902 45.972 45.100 -0.049 0.000 0.938 91 G HN 0.387 nan 8.290 nan 0.000 0.754 92 T N 0.184 114.712 114.554 -0.044 0.000 3.174 92 T HA 0.294 4.644 4.350 0.000 0.000 0.252 92 T C 0.841 175.527 174.700 -0.023 0.000 0.984 92 T CA 0.970 63.056 62.100 -0.025 0.000 1.113 92 T CB 0.177 69.042 68.868 -0.004 0.000 1.088 92 T HN 0.561 nan 8.240 nan 0.000 0.442 93 Q N 3.189 122.968 119.800 -0.035 0.000 2.244 93 Q HA 0.234 4.574 4.340 0.000 0.000 0.278 93 Q C -0.746 175.269 176.000 0.025 0.000 1.093 93 Q CA 0.055 55.852 55.803 -0.009 0.000 0.916 93 Q CB 0.291 29.021 28.738 -0.014 0.000 1.159 93 Q HN 0.249 nan 8.270 nan 0.000 0.384 94 V N 6.066 126.001 119.914 0.036 0.000 2.370 94 V HA 0.552 4.672 4.120 0.000 0.000 0.279 94 V C -0.984 175.155 176.094 0.075 0.000 1.029 94 V CA -0.589 61.737 62.300 0.044 0.000 0.870 94 V CB 1.467 33.295 31.823 0.009 0.000 0.984 94 V HN 0.610 nan 8.190 nan 0.000 0.451 95 V N 8.005 127.995 119.914 0.126 0.000 2.384 95 V HA 0.548 4.668 4.120 0.000 0.000 0.287 95 V C -0.071 176.057 176.094 0.058 0.000 1.020 95 V CA -0.493 61.875 62.300 0.112 0.000 0.850 95 V CB 1.476 33.421 31.823 0.203 0.000 0.987 95 V HN 1.016 nan 8.190 nan 0.000 0.436 96 E N 3.890 124.105 120.200 0.025 0.000 2.312 96 E HA 0.880 5.230 4.350 0.000 0.000 0.267 96 E C -1.139 175.456 176.600 -0.010 0.000 0.894 96 E CA -1.346 55.060 56.400 0.010 0.000 0.773 96 E CB 3.045 32.756 29.700 0.017 0.000 1.241 96 E HN 0.359 nan 8.360 nan 0.000 0.432 97 K N 1.400 121.790 120.400 -0.016 0.000 2.571 97 K HA 0.248 4.568 4.320 0.000 0.000 0.252 97 K C -1.920 174.657 176.600 -0.037 0.000 0.956 97 K CA -0.618 55.647 56.287 -0.037 0.000 0.822 97 K CB 2.110 34.583 32.500 -0.044 0.000 1.286 97 K HN 0.462 nan 8.250 nan 0.000 0.439 98 V N 4.229 124.092 119.914 -0.086 0.000 2.583 98 V HA 0.441 4.561 4.120 0.000 0.000 0.287 98 V C -0.253 175.817 176.094 -0.041 0.000 1.051 98 V CA -0.541 61.686 62.300 -0.122 0.000 1.010 98 V CB 1.261 32.862 31.823 -0.370 0.000 0.988 98 V HN 0.523 nan 8.190 nan 0.000 0.478 99 V N 5.467 125.418 119.914 0.061 0.000 2.735 99 V HA 0.415 4.535 4.120 0.000 0.000 0.310 99 V C -0.185 176.057 176.094 0.247 0.000 1.061 99 V CA -0.844 61.532 62.300 0.128 0.000 0.913 99 V CB 1.868 33.751 31.823 0.100 0.000 1.005 99 V HN 0.710 nan 8.190 nan 0.000 0.428 100 L N 4.954 126.321 121.223 0.241 0.000 2.467 100 L HA 0.435 4.776 4.340 0.000 0.000 0.270 100 L C -0.284 176.539 176.870 -0.078 0.000 1.205 100 L CA 0.734 55.606 54.840 0.053 0.000 0.828 100 L CB 1.048 43.128 42.059 0.034 0.000 1.101 100 L HN 0.460 nan 8.230 nan 0.000 0.479 101 V N 4.088 123.864 119.914 -0.229 0.000 2.487 101 V HA 0.430 4.550 4.120 0.000 0.000 0.298 101 V C -0.081 175.902 176.094 -0.185 0.000 1.028 101 V CA -0.557 61.642 62.300 -0.167 0.000 0.860 101 V CB 1.504 33.243 31.823 -0.140 0.000 0.991 101 V HN 0.882 nan 8.190 nan 0.000 0.427 102 S N 4.234 119.837 115.700 -0.162 0.000 2.525 102 S HA 0.432 4.902 4.470 0.000 0.000 0.278 102 S C 0.756 175.276 174.600 -0.134 0.000 1.234 102 S CA -0.746 57.369 58.200 -0.141 0.000 1.058 102 S CB 0.826 63.939 63.200 -0.145 0.000 0.983 102 S HN 0.551 nan 8.310 nan 0.000 0.495 103 L N 3.571 124.741 121.223 -0.088 0.000 2.492 103 L HA 0.169 4.509 4.340 0.000 0.000 0.223 103 L C 1.136 177.991 176.870 -0.025 0.000 1.132 103 L CA 0.870 55.675 54.840 -0.059 0.000 0.850 103 L CB -1.406 40.640 42.059 -0.021 0.000 0.966 103 L HN 0.735 nan 8.230 nan 0.000 0.454 104 Q N -0.271 119.526 119.800 -0.005 0.000 2.286 104 Q HA 0.004 4.345 4.340 0.000 0.000 0.290 104 Q C 1.096 177.164 176.000 0.114 0.000 1.049 104 Q CA 0.008 55.854 55.803 0.072 0.000 0.923 104 Q CB 0.911 29.740 28.738 0.151 0.000 1.183 104 Q HN 0.101 nan 8.270 nan 0.000 0.383 105 S N 0.985 116.639 115.700 -0.076 0.000 2.404 105 S HA 0.165 4.635 4.470 0.000 0.000 0.223 105 S C 0.681 174.993 174.600 -0.481 0.000 1.040 105 S CA 0.605 58.611 58.200 -0.324 0.000 0.957 105 S CB 0.362 63.082 63.200 -0.801 0.000 0.826 105 S HN 0.875 nan 8.310 nan 0.000 0.491 106 G N -0.695 107.658 108.800 -0.745 0.000 2.539 106 G HA2 0.448 4.408 3.960 0.000 0.000 0.138 106 G HA3 0.448 4.408 3.960 0.000 0.000 0.138 106 G C -2.036 172.447 174.900 -0.695 0.000 1.148 106 G CA -0.740 43.756 45.100 -1.006 0.000 1.057 106 G HN 0.171 nan 8.290 nan 0.000 0.511 107 Y N -0.287 119.888 120.300 -0.208 0.000 2.485 107 Y HA 0.795 5.345 4.550 0.000 0.000 0.345 107 Y C 0.055 175.444 175.900 -0.850 0.000 0.998 107 Y CA -0.759 57.079 58.100 -0.437 0.000 1.059 107 Y CB 2.341 40.532 38.460 -0.447 0.000 1.234 107 Y HN 0.322 nan 8.280 nan 0.000 0.461 108 L N 3.660 123.835 121.223 -1.747 0.000 2.381 108 L HA 0.529 4.869 4.340 0.000 0.000 0.274 108 L C -1.573 174.665 176.870 -1.054 0.000 0.988 108 L CA -0.575 53.476 54.840 -1.316 0.000 0.824 108 L CB 1.329 42.592 42.059 -1.327 0.000 1.263 108 L HN 0.488 nan 8.230 nan 0.000 0.410 109 F N 3.812 123.700 119.950 -0.104 0.000 2.467 109 F HA 0.554 5.081 4.527 0.000 0.000 0.336 109 F C 0.138 176.067 175.800 0.215 0.000 1.123 109 F CA -0.582 57.449 58.000 0.053 0.000 0.964 109 F CB 1.577 40.563 39.000 -0.024 0.000 1.136 109 F HN 0.157 nan 8.300 nan 0.000 0.447 110 I N 3.118 123.896 120.570 0.346 0.000 2.378 110 I HA 0.354 4.524 4.170 0.000 0.000 0.291 110 I C -0.561 175.740 176.117 0.307 0.000 0.992 110 I CA -0.665 60.813 61.300 0.296 0.000 1.154 110 I CB 1.768 39.885 38.000 0.194 0.000 1.315 110 I HN 0.572 nan 8.210 nan 0.000 0.448 111 Q N 5.635 125.638 119.800 0.338 0.000 2.333 111 Q HA 0.518 4.858 4.340 0.000 0.000 0.267 111 Q C -1.099 175.051 176.000 0.251 0.000 1.012 111 Q CA -0.627 55.352 55.803 0.293 0.000 0.824 111 Q CB 2.114 31.073 28.738 0.369 0.000 1.290 111 Q HN 0.772 nan 8.270 nan 0.000 0.449 112 T N 0.274 114.960 114.554 0.219 0.000 2.829 112 T HA 0.200 4.550 4.350 0.000 0.000 0.280 112 T C 0.771 175.590 174.700 0.198 0.000 0.999 112 T CA -0.537 61.694 62.100 0.218 0.000 0.983 112 T CB 1.273 70.270 68.868 0.216 0.000 0.968 112 T HN 0.707 nan 8.240 nan 0.000 0.446 113 D N 3.160 123.672 120.400 0.188 0.000 2.127 113 D HA -0.166 4.474 4.640 0.000 0.000 0.190 113 D C 0.522 176.847 176.300 0.042 0.000 1.000 113 D CA 1.446 55.520 54.000 0.123 0.000 0.839 113 D CB -0.118 40.749 40.800 0.111 0.000 0.955 113 D HN 0.641 nan 8.370 nan 0.000 0.446 114 K N -1.170 119.200 120.400 -0.049 0.000 2.416 114 K HA 0.408 4.729 4.320 0.000 0.000 0.244 114 K C 1.182 177.629 176.600 -0.255 0.000 1.044 114 K CA 0.156 56.237 56.287 -0.343 0.000 0.972 114 K CB 1.183 33.253 32.500 -0.716 0.000 1.286 114 K HN 0.213 nan 8.250 nan 0.000 0.500 115 T N -2.535 111.815 114.554 -0.340 0.000 2.971 115 T HA 0.296 4.646 4.350 0.000 0.000 0.252 115 T C 0.575 175.240 174.700 -0.058 0.000 1.022 115 T CA -0.201 61.839 62.100 -0.101 0.000 0.980 115 T CB 0.125 68.928 68.868 -0.108 0.000 1.044 115 T HN 0.472 nan 8.240 nan 0.000 0.501 116 I N 0.534 120.924 120.570 -0.301 0.000 2.692 116 I HA 0.596 4.767 4.170 0.000 0.000 0.293 116 I C -2.059 173.960 176.117 -0.164 0.000 1.200 116 I CA -1.513 59.726 61.300 -0.102 0.000 1.036 116 I CB 2.036 39.905 38.000 -0.218 0.000 1.258 116 I HN 0.036 nan 8.210 nan 0.000 0.421 117 Y N 3.478 123.977 120.300 0.331 0.000 2.536 117 Y HA 0.561 5.112 4.550 0.000 0.000 0.347 117 Y C 0.336 176.379 175.900 0.239 0.000 1.000 117 Y CA -0.827 57.440 58.100 0.277 0.000 1.051 117 Y CB 2.120 40.692 38.460 0.186 0.000 1.259 117 Y HN 0.534 nan 8.280 nan 0.000 0.468 118 T N -0.660 113.993 114.554 0.166 0.000 2.907 118 T HA 0.493 4.843 4.350 0.000 0.000 0.284 118 T C -2.899 171.795 174.700 -0.010 0.000 1.004 118 T CA -2.721 59.353 62.100 -0.043 0.000 1.063 118 T CB 1.359 70.044 68.868 -0.305 0.000 0.992 118 T HN 0.201 nan 8.240 nan 0.000 0.483 119 P HA 0.277 nan 4.420 nan 0.000 0.258 119 P C 1.079 178.326 177.300 -0.088 0.000 1.187 119 P CA 1.053 64.121 63.100 -0.054 0.000 0.767 119 P CB 0.130 31.816 31.700 -0.023 0.000 0.770 120 G N 1.978 110.700 108.800 -0.130 0.000 2.380 120 G HA2 -0.186 3.775 3.960 0.000 0.000 0.197 120 G HA3 -0.186 3.775 3.960 0.000 0.000 0.197 120 G C 0.425 175.245 174.900 -0.134 0.000 1.001 120 G CA 0.188 45.210 45.100 -0.130 0.000 0.668 120 G HN 0.702 nan 8.290 nan 0.000 0.483 121 S N -0.026 115.608 115.700 -0.110 0.000 2.661 121 S HA 0.742 5.212 4.470 0.000 0.000 0.265 121 S C -0.006 174.508 174.600 -0.143 0.000 1.225 121 S CA 0.551 58.706 58.200 -0.074 0.000 0.986 121 S CB 1.779 64.995 63.200 0.027 0.000 1.008 121 S HN 0.574 nan 8.310 nan 0.000 0.565 122 T N 0.993 115.489 114.554 -0.095 0.000 2.829 122 T HA 0.506 4.856 4.350 0.000 0.000 0.280 122 T C -0.720 173.905 174.700 -0.125 0.000 0.999 122 T CA -0.609 61.397 62.100 -0.157 0.000 0.983 122 T CB 1.361 70.160 68.868 -0.116 0.000 0.968 122 T HN 0.514 nan 8.240 nan 0.000 0.446 123 V N 4.840 124.605 119.914 -0.250 0.000 2.368 123 V HA 0.308 4.428 4.120 0.000 0.000 0.266 123 V C -0.014 176.066 176.094 -0.023 0.000 1.045 123 V CA -0.583 61.501 62.300 -0.360 0.000 0.899 123 V CB 0.325 31.715 31.823 -0.720 0.000 1.006 123 V HN 0.682 nan 8.190 nan 0.000 0.470 124 L N 7.649 128.904 121.223 0.053 0.000 2.255 124 L HA 0.539 4.879 4.340 0.000 0.000 0.289 124 L C -0.459 176.480 176.870 0.115 0.000 1.046 124 L CA -0.489 54.377 54.840 0.043 0.000 0.816 124 L CB 0.216 42.294 42.059 0.031 0.000 1.197 124 L HN 0.754 nan 8.230 nan 0.000 0.427 125 Y N 1.642 121.909 120.300 -0.055 0.000 2.576 125 Y HA 0.818 5.368 4.550 0.000 0.000 0.346 125 Y C -0.756 175.109 175.900 -0.058 0.000 1.018 125 Y CA -1.532 56.545 58.100 -0.038 0.000 1.050 125 Y CB 1.484 39.908 38.460 -0.060 0.000 1.280 125 Y HN 0.346 nan 8.280 nan 0.000 0.474 126 R N 1.896 122.418 120.500 0.037 0.000 2.686 126 R HA 0.630 4.970 4.340 0.000 0.000 0.283 126 R C -1.894 174.333 176.300 -0.121 0.000 0.978 126 R CA -1.019 54.976 56.100 -0.174 0.000 0.897 126 R CB 2.526 32.646 30.300 -0.301 0.000 1.192 126 R HN 0.670 nan 8.270 nan 0.000 0.457 127 I N 2.828 123.261 120.570 -0.227 0.000 2.354 127 I HA 0.297 4.467 4.170 0.000 0.000 0.292 127 I C -0.768 175.171 176.117 -0.298 0.000 0.989 127 I CA -0.232 60.985 61.300 -0.139 0.000 1.188 127 I CB 0.922 38.864 38.000 -0.096 0.000 1.342 127 I HN 0.383 nan 8.210 nan 0.000 0.457 128 F N 3.957 123.908 119.950 0.002 0.000 2.405 128 F HA 0.397 4.924 4.527 0.000 0.000 0.355 128 F C 0.704 176.488 175.800 -0.027 0.000 1.121 128 F CA -0.789 57.229 58.000 0.030 0.000 1.112 128 F CB 1.201 40.285 39.000 0.140 0.000 1.126 128 F HN 0.382 nan 8.300 nan 0.000 0.481 129 T N 1.743 116.366 114.554 0.116 0.000 2.910 129 T HA 0.628 4.978 4.350 0.000 0.000 0.323 129 T C -0.441 174.367 174.700 0.179 0.000 1.091 129 T CA -0.674 61.490 62.100 0.108 0.000 0.960 129 T CB 0.033 68.950 68.868 0.082 0.000 1.024 129 T HN 0.449 nan 8.240 nan 0.000 0.509 130 V N 1.569 121.596 119.914 0.189 0.000 2.919 130 V HA 0.758 4.878 4.120 0.000 0.000 0.316 130 V C -0.016 176.135 176.094 0.096 0.000 1.077 130 V CA -1.380 61.017 62.300 0.163 0.000 0.977 130 V CB 1.605 33.555 31.823 0.212 0.000 1.039 130 V HN 0.867 nan 8.190 nan 0.000 0.441 131 N N 0.743 119.478 118.700 0.059 0.000 2.385 131 N HA 0.174 4.914 4.740 0.000 0.000 0.291 131 N C 0.399 175.919 175.510 0.017 0.000 1.298 131 N CA -0.042 52.990 53.050 -0.030 0.000 0.955 131 N CB -0.520 37.979 38.487 0.019 0.000 1.096 131 N HN 0.799 nan 8.380 nan 0.000 0.543 132 H N -1.927 117.176 119.070 0.056 0.000 2.612 132 H HA 0.248 4.804 4.556 0.000 0.000 0.285 132 H C -0.048 175.421 175.328 0.235 0.000 1.066 132 H CA 0.403 56.539 56.048 0.146 0.000 1.180 132 H CB -0.035 29.736 29.762 0.016 0.000 1.312 132 H HN 0.454 nan 8.280 nan 0.000 0.606 133 K N 0.171 120.736 120.400 0.274 0.000 2.553 133 K HA 0.195 4.515 4.320 0.000 0.000 0.205 133 K C -0.315 176.399 176.600 0.189 0.000 1.168 133 K CA -0.035 56.383 56.287 0.217 0.000 1.043 133 K CB 1.333 33.920 32.500 0.145 0.000 0.967 133 K HN 0.081 nan 8.250 nan 0.000 0.585 134 L N 1.635 122.979 121.223 0.201 0.000 3.598 134 L HA -0.223 4.117 4.340 0.000 0.000 0.422 134 L C -0.873 176.058 176.870 0.103 0.000 1.262 134 L CA 0.384 55.306 54.840 0.136 0.000 0.889 134 L CB -1.607 40.473 42.059 0.035 0.000 1.857 134 L HN 0.238 nan 8.230 nan 0.000 0.858 135 L N -0.399 120.891 121.223 0.111 0.000 2.354 135 L HA 0.656 4.996 4.340 0.000 0.000 0.269 135 L C -2.020 174.904 176.870 0.090 0.000 1.005 135 L CA -1.972 52.920 54.840 0.087 0.000 0.819 135 L CB 2.044 44.147 42.059 0.074 0.000 1.311 135 L HN -0.237 nan 8.230 nan 0.000 0.423 136 P HA 0.082 nan 4.420 nan 0.000 0.267 136 P C -1.153 176.186 177.300 0.065 0.000 1.200 136 P CA 0.092 63.241 63.100 0.082 0.000 0.772 136 P CB 0.906 32.645 31.700 0.066 0.000 0.855 137 V N 1.909 121.863 119.914 0.067 0.000 3.098 137 V HA 0.641 4.761 4.120 0.000 0.000 0.294 137 V C -0.603 175.526 176.094 0.058 0.000 1.351 137 V CA -0.570 61.761 62.300 0.052 0.000 0.999 137 V CB 2.224 34.071 31.823 0.040 0.000 1.104 137 V HN 0.644 nan 8.190 nan 0.000 0.438 138 G N 5.320 114.145 108.800 0.041 0.000 2.356 138 G HA2 0.674 4.634 3.960 0.000 0.000 0.300 138 G HA3 0.674 4.634 3.960 0.000 0.000 0.300 138 G C -0.460 174.473 174.900 0.056 0.000 1.107 138 G CA -0.354 44.770 45.100 0.039 0.000 0.960 138 G HN 0.627 nan 8.290 nan 0.000 0.418 139 R N 1.253 121.806 120.500 0.088 0.000 2.799 139 R HA 0.483 4.823 4.340 0.000 0.000 0.270 139 R C -0.749 175.609 176.300 0.097 0.000 1.010 139 R CA -0.743 55.439 56.100 0.137 0.000 0.916 139 R CB 1.627 32.125 30.300 0.329 0.000 1.228 139 R HN 0.419 nan 8.270 nan 0.000 0.469 140 T N 1.295 115.908 114.554 0.098 0.000 2.743 140 T HA 0.407 4.757 4.350 0.000 0.000 0.293 140 T C -0.120 174.573 174.700 -0.013 0.000 0.945 140 T CA -0.350 61.767 62.100 0.030 0.000 1.030 140 T CB 0.909 69.793 68.868 0.027 0.000 0.912 140 T HN 0.123 nan 8.240 nan 0.000 0.483 141 V N 5.214 125.057 119.914 -0.118 0.000 2.555 141 V HA 0.472 4.592 4.120 0.000 0.000 0.302 141 V C -0.130 175.794 176.094 -0.284 0.000 1.038 141 V CA -1.021 61.125 62.300 -0.256 0.000 0.887 141 V CB 1.901 33.532 31.823 -0.321 0.000 0.991 141 V HN 0.782 nan 8.190 nan 0.000 0.434 142 M N 4.327 123.632 119.600 -0.492 0.000 2.264 142 M HA 0.558 5.038 4.480 0.000 0.000 0.352 142 M C -0.740 175.311 176.300 -0.416 0.000 1.173 142 M CA -0.437 54.545 55.300 -0.530 0.000 1.075 142 M CB 1.427 33.458 32.600 -0.948 0.000 1.621 142 M HN 0.361 nan 8.290 nan 0.000 0.457 143 V N 4.252 124.050 119.914 -0.193 0.000 2.531 143 V HA 0.475 4.595 4.120 0.000 0.000 0.301 143 V C -0.534 175.540 176.094 -0.033 0.000 1.034 143 V CA -0.899 61.352 62.300 -0.082 0.000 0.865 143 V CB 2.134 33.949 31.823 -0.014 0.000 0.995 143 V HN 0.808 nan 8.190 nan 0.000 0.424 144 N N 3.623 122.317 118.700 -0.010 0.000 2.381 144 N HA 0.708 5.448 4.740 0.000 0.000 0.294 144 N C -1.031 174.432 175.510 -0.077 0.000 1.216 144 N CA -0.565 52.476 53.050 -0.014 0.000 0.803 144 N CB 2.510 41.021 38.487 0.040 0.000 1.372 144 N HN 0.531 nan 8.380 nan 0.000 0.500 145 I N 0.830 121.331 120.570 -0.115 0.000 2.493 145 I HA 0.203 4.373 4.170 0.000 0.000 0.279 145 I C -0.404 175.660 176.117 -0.090 0.000 1.045 145 I CA -0.419 60.767 61.300 -0.189 0.000 1.106 145 I CB 1.341 39.040 38.000 -0.502 0.000 1.216 145 I HN 0.220 nan 8.210 nan 0.000 0.459 146 E N 4.993 125.155 120.200 -0.064 0.000 2.249 146 E HA 0.193 4.543 4.350 0.000 0.000 0.280 146 E C -0.449 175.987 176.600 -0.275 0.000 1.016 146 E CA -0.740 55.588 56.400 -0.119 0.000 0.830 146 E CB 1.319 30.945 29.700 -0.124 0.000 1.081 146 E HN 0.520 nan 8.360 nan 0.000 0.395 147 N N 3.002 121.373 118.700 -0.549 0.000 2.317 147 N HA 0.045 4.785 4.740 0.000 0.000 0.245 147 N C -2.133 172.793 175.510 -0.973 0.000 1.294 147 N CA -1.504 50.697 53.050 -1.415 0.000 0.924 147 N CB -0.216 37.626 38.487 -1.075 0.000 1.186 147 N HN 0.056 nan 8.380 nan 0.000 0.495 148 P HA -0.193 nan 4.420 nan 0.000 0.217 148 P C 0.496 177.578 177.300 -0.363 0.000 1.148 148 P CA 1.736 64.481 63.100 -0.593 0.000 0.834 148 P CB -0.058 31.358 31.700 -0.473 0.000 0.783 149 E N -1.199 118.798 120.200 -0.338 0.000 2.445 149 E HA 0.193 4.543 4.350 0.000 0.000 0.189 149 E C 0.796 177.286 176.600 -0.183 0.000 1.069 149 E CA 0.353 56.626 56.400 -0.212 0.000 0.871 149 E CB -0.899 28.702 29.700 -0.166 0.000 0.991 149 E HN 0.093 nan 8.360 nan 0.000 0.481 150 G N 1.687 110.354 108.800 -0.221 0.000 2.225 150 G HA2 -0.187 3.773 3.960 0.000 0.000 0.264 150 G HA3 -0.187 3.773 3.960 0.000 0.000 0.264 150 G C -0.187 174.634 174.900 -0.130 0.000 1.060 150 G CA 0.090 45.093 45.100 -0.162 0.000 0.833 150 G HN 0.303 nan 8.290 nan 0.000 0.498 151 I N 0.377 120.856 120.570 -0.151 0.000 2.410 151 I HA 0.322 4.492 4.170 0.000 0.000 0.286 151 I C -2.215 173.856 176.117 -0.077 0.000 1.009 151 I CA -3.194 58.048 61.300 -0.096 0.000 1.111 151 I CB 1.619 39.571 38.000 -0.081 0.000 1.262 151 I HN -0.172 nan 8.210 nan 0.000 0.443 152 P HA 0.013 nan 4.420 nan 0.000 0.264 152 P C 0.952 178.260 177.300 0.015 0.000 1.193 152 P CA 0.239 63.328 63.100 -0.018 0.000 0.763 152 P CB 0.718 32.417 31.700 -0.002 0.000 0.810 153 V N 0.542 120.479 119.914 0.039 0.000 3.612 153 V HA 0.348 4.468 4.120 0.000 0.000 0.268 153 V C 0.398 176.546 176.094 0.091 0.000 1.365 153 V CA 0.572 62.933 62.300 0.103 0.000 1.044 153 V CB -0.332 31.629 31.823 0.230 0.000 0.820 153 V HN 0.421 nan 8.190 nan 0.000 0.444 154 K N 1.869 122.284 120.400 0.026 0.000 2.561 154 K HA 0.481 4.801 4.320 0.000 0.000 0.254 154 K C -1.910 174.690 176.600 -0.001 0.000 0.942 154 K CA -0.419 55.886 56.287 0.029 0.000 0.818 154 K CB 1.998 34.521 32.500 0.039 0.000 1.306 154 K HN 0.363 nan 8.250 nan 0.000 0.435 155 Q N 3.151 122.964 119.800 0.021 0.000 2.315 155 Q HA 0.477 4.817 4.340 0.000 0.000 0.273 155 Q C -1.635 174.373 176.000 0.014 0.000 1.053 155 Q CA -0.574 55.237 55.803 0.013 0.000 0.817 155 Q CB 2.299 31.052 28.738 0.024 0.000 1.326 155 Q HN 0.593 nan 8.270 nan 0.000 0.423 156 D N 0.954 121.353 120.400 -0.002 0.000 2.531 156 D HA 0.447 5.088 4.640 0.000 0.000 0.244 156 D C -1.088 175.187 176.300 -0.041 0.000 1.090 156 D CA -0.442 53.553 54.000 -0.008 0.000 0.989 156 D CB 2.098 42.900 40.800 0.004 0.000 1.433 156 D HN 0.454 nan 8.370 nan 0.000 0.492 157 S N 0.868 116.545 115.700 -0.039 0.000 2.542 157 S HA 0.503 4.973 4.470 0.000 0.000 0.245 157 S C -0.912 173.656 174.600 -0.054 0.000 1.325 157 S CA -0.521 57.644 58.200 -0.059 0.000 1.176 157 S CB -0.435 62.742 63.200 -0.038 0.000 1.045 157 S HN 0.214 nan 8.310 nan 0.000 0.481 158 L N 2.307 123.487 121.223 -0.072 0.000 2.544 158 L HA 0.761 5.101 4.340 0.000 0.000 0.256 158 L C 0.445 177.276 176.870 -0.064 0.000 1.097 158 L CA -0.305 54.495 54.840 -0.066 0.000 0.812 158 L CB 1.275 43.288 42.059 -0.077 0.000 1.440 158 L HN 0.548 nan 8.230 nan 0.000 0.496 159 S N -1.799 113.867 115.700 -0.056 0.000 2.603 159 S HA 0.288 4.759 4.470 0.000 0.000 0.274 159 S C 0.156 174.732 174.600 -0.041 0.000 1.168 159 S CA -0.161 58.016 58.200 -0.038 0.000 0.963 159 S CB 1.072 64.260 63.200 -0.019 0.000 1.078 159 S HN 0.627 nan 8.310 nan 0.000 0.477 160 S N 3.015 118.695 115.700 -0.032 0.000 2.660 160 S HA 0.091 4.561 4.470 0.000 0.000 0.223 160 S C 0.598 175.190 174.600 -0.014 0.000 0.963 160 S CA 0.018 58.198 58.200 -0.033 0.000 0.932 160 S CB -0.270 62.916 63.200 -0.023 0.000 0.775 160 S HN 0.702 nan 8.310 nan 0.000 0.531 161 Q N 2.374 122.170 119.800 -0.008 0.000 2.286 161 Q HA 0.134 4.475 4.340 0.000 0.000 0.290 161 Q C 0.182 176.176 176.000 -0.009 0.000 1.049 161 Q CA 0.742 56.544 55.803 -0.002 0.000 0.923 161 Q CB -0.204 28.534 28.738 0.001 0.000 1.183 161 Q HN 0.381 nan 8.270 nan 0.000 0.383 162 N N 2.321 121.017 118.700 -0.005 0.000 2.708 162 N HA -0.242 4.498 4.740 0.000 0.000 0.251 162 N C -0.319 175.181 175.510 -0.017 0.000 1.123 162 N CA 1.381 54.426 53.050 -0.009 0.000 0.739 162 N CB -0.896 37.586 38.487 -0.009 0.000 1.113 162 N HN 0.676 nan 8.380 nan 0.000 0.561 163 Q N -0.009 119.778 119.800 -0.021 0.000 2.189 163 Q HA 0.386 4.727 4.340 0.000 0.000 0.223 163 Q C 0.061 176.042 176.000 -0.031 0.000 0.828 163 Q CA -0.211 55.572 55.803 -0.035 0.000 0.967 163 Q CB 0.441 29.148 28.738 -0.052 0.000 1.139 163 Q HN 0.313 nan 8.270 nan 0.000 0.497 164 L N 0.058 121.274 121.223 -0.012 0.000 3.512 164 L HA -0.157 4.183 4.340 0.000 0.000 0.446 164 L C 0.487 177.364 176.870 0.011 0.000 1.290 164 L CA 1.150 55.992 54.840 0.002 0.000 0.871 164 L CB -1.507 40.551 42.059 -0.002 0.000 1.767 164 L HN 0.422 nan 8.230 nan 0.000 0.855 165 G N -0.647 108.160 108.800 0.012 0.000 2.283 165 G HA2 -0.165 3.795 3.960 0.000 0.000 0.280 165 G HA3 -0.165 3.795 3.960 0.000 0.000 0.280 165 G C 0.157 175.042 174.900 -0.025 0.000 1.029 165 G CA 0.402 45.521 45.100 0.031 0.000 0.840 165 G HN 1.278 nan 8.290 nan 0.000 0.505 166 V N 0.319 120.166 119.914 -0.111 0.000 2.567 166 V HA 0.497 4.617 4.120 0.000 0.000 0.298 166 V C 0.150 176.100 176.094 -0.241 0.000 1.047 166 V CA -0.708 61.431 62.300 -0.268 0.000 0.880 166 V CB 1.982 33.665 31.823 -0.234 0.000 1.009 166 V HN 0.255 nan 8.190 nan 0.000 0.429 167 L N 6.887 127.932 121.223 -0.295 0.000 2.371 167 L HA 0.425 4.765 4.340 0.000 0.000 0.262 167 L C -2.472 174.235 176.870 -0.272 0.000 1.054 167 L CA -1.588 53.114 54.840 -0.231 0.000 0.924 167 L CB 1.825 43.771 42.059 -0.188 0.000 1.295 167 L HN 0.409 nan 8.230 nan 0.000 0.441 168 P HA 0.187 nan 4.420 nan 0.000 0.264 168 P C -0.585 176.523 177.300 -0.319 0.000 1.193 168 P CA 0.457 63.402 63.100 -0.258 0.000 0.763 168 P CB 0.814 32.405 31.700 -0.182 0.000 0.810 169 L N 1.687 122.616 121.223 -0.489 0.000 2.502 169 L HA 0.711 5.051 4.340 0.000 0.000 0.253 169 L C -0.478 175.988 176.870 -0.674 0.000 1.070 169 L CA -0.628 53.815 54.840 -0.663 0.000 0.871 169 L CB 2.344 43.767 42.059 -1.060 0.000 1.487 169 L HN 0.404 nan 8.230 nan 0.000 0.408 170 S N -1.024 114.414 115.700 -0.437 0.000 2.543 170 S HA 0.585 5.055 4.470 0.000 0.000 0.274 170 S C -2.220 172.505 174.600 0.208 0.000 1.149 170 S CA -0.746 57.398 58.200 -0.093 0.000 0.866 170 S CB 1.725 64.872 63.200 -0.090 0.000 1.111 170 S HN 0.615 nan 8.310 nan 0.000 0.457 171 W N 2.222 123.542 121.300 0.033 0.000 2.900 171 W HA 0.612 5.272 4.660 0.000 0.000 0.336 171 W C -1.965 174.485 176.519 -0.114 0.000 1.064 171 W CA -0.511 56.821 57.345 -0.021 0.000 1.237 171 W CB 1.419 30.868 29.460 -0.018 0.000 1.391 171 W HN 0.690 nan 8.180 nan 0.000 0.468 172 D N 5.903 125.878 120.400 -0.708 0.000 2.317 172 D HA 0.252 4.892 4.640 0.000 0.000 0.252 172 D C 0.115 175.654 176.300 -1.268 0.000 1.174 172 D CA 0.268 53.827 54.000 -0.735 0.000 0.866 172 D CB 1.071 41.621 40.800 -0.417 0.000 1.127 172 D HN 0.272 nan 8.370 nan 0.000 0.467 173 I N 4.187 124.151 120.570 -1.011 0.000 2.337 173 I HA 0.176 4.346 4.170 0.000 0.000 0.291 173 I C -2.001 173.800 176.117 -0.525 0.000 1.046 173 I CA -1.927 58.777 61.300 -0.993 0.000 1.324 173 I CB 0.762 38.379 38.000 -0.639 0.000 1.409 173 I HN 0.016 nan 8.210 nan 0.000 0.494 174 P HA 0.014 nan 4.420 nan 0.000 0.269 174 P C 0.530 177.750 177.300 -0.133 0.000 1.209 174 P CA -0.140 62.837 63.100 -0.204 0.000 0.776 174 P CB 0.673 32.312 31.700 -0.102 0.000 0.876 175 E N 1.414 121.558 120.200 -0.094 0.000 2.077 175 E HA -0.108 4.242 4.350 0.000 0.000 0.193 175 E C 0.680 177.264 176.600 -0.026 0.000 0.989 175 E CA 1.268 57.631 56.400 -0.061 0.000 0.800 175 E CB -0.163 29.506 29.700 -0.051 0.000 0.746 175 E HN 0.476 nan 8.360 nan 0.000 0.452 176 L N 1.857 123.074 121.223 -0.009 0.000 2.512 176 L HA 0.232 4.572 4.340 0.000 0.000 0.247 176 L C 0.122 177.027 176.870 0.059 0.000 1.204 176 L CA -0.458 54.396 54.840 0.023 0.000 1.153 176 L CB 0.734 42.807 42.059 0.023 0.000 1.415 176 L HN -0.159 nan 8.230 nan 0.000 0.406 177 V N 0.999 120.959 119.914 0.076 0.000 3.093 177 V HA 0.459 4.580 4.120 0.000 0.000 0.320 177 V C -0.215 176.020 176.094 0.235 0.000 1.093 177 V CA -0.727 61.674 62.300 0.168 0.000 1.016 177 V CB 2.470 34.355 31.823 0.104 0.000 1.096 177 V HN 0.535 nan 8.190 nan 0.000 0.452 178 N N 3.324 122.261 118.700 0.395 0.000 2.422 178 N HA 0.402 5.142 4.740 0.000 0.000 0.264 178 N C -0.423 175.318 175.510 0.385 0.000 1.063 178 N CA -0.278 52.956 53.050 0.306 0.000 0.959 178 N CB 0.967 39.571 38.487 0.195 0.000 1.087 178 N HN 0.556 nan 8.380 nan 0.000 0.483 179 M N 1.408 121.145 119.600 0.229 0.000 2.248 179 M HA 0.396 4.876 4.480 0.000 0.000 0.337 179 M C 1.087 177.478 176.300 0.151 0.000 1.121 179 M CA 0.701 56.130 55.300 0.215 0.000 1.155 179 M CB 0.285 32.965 32.600 0.132 0.000 1.514 179 M HN 0.786 nan 8.290 nan 0.000 0.452 180 G N 1.385 110.282 108.800 0.160 0.000 2.346 180 G HA2 0.032 3.992 3.960 0.000 0.000 0.294 180 G HA3 0.032 3.992 3.960 0.000 0.000 0.294 180 G C -1.702 173.228 174.900 0.051 0.000 1.294 180 G CA -1.013 44.111 45.100 0.040 0.000 0.962 180 G HN 0.478 nan 8.290 nan 0.000 0.508 181 Q N 0.204 119.964 119.800 -0.067 0.000 2.423 181 Q HA 0.311 4.651 4.340 0.000 0.000 0.235 181 Q C -0.580 175.289 176.000 -0.219 0.000 1.100 181 Q CA -0.021 55.730 55.803 -0.086 0.000 0.908 181 Q CB 0.633 29.328 28.738 -0.072 0.000 1.312 181 Q HN 0.417 nan 8.270 nan 0.000 0.497 182 W N 2.053 123.061 121.300 -0.487 0.000 2.129 182 W HA 0.283 4.943 4.660 0.000 0.000 0.349 182 W C 0.711 176.879 176.519 -0.586 0.000 1.279 182 W CA -0.043 56.916 57.345 -0.644 0.000 1.306 182 W CB 0.681 29.514 29.460 -1.046 0.000 1.140 182 W HN 0.249 nan 8.180 nan 0.000 0.613 183 K N 1.718 122.053 120.400 -0.107 0.000 2.513 183 K HA 0.488 4.808 4.320 0.000 0.000 0.251 183 K C -1.472 175.164 176.600 0.060 0.000 0.939 183 K CA -0.595 55.687 56.287 -0.008 0.000 0.793 183 K CB 1.107 33.576 32.500 -0.052 0.000 1.241 183 K HN 0.424 nan 8.250 nan 0.000 0.431 184 I N 5.152 125.777 120.570 0.091 0.000 2.337 184 I HA 0.347 4.517 4.170 0.000 0.000 0.285 184 I C -0.137 175.981 176.117 0.002 0.000 1.041 184 I CA -0.709 60.575 61.300 -0.027 0.000 1.199 184 I CB 1.187 39.081 38.000 -0.177 0.000 1.370 184 I HN 0.385 nan 8.210 nan 0.000 0.470 185 R N 4.893 125.398 120.500 0.010 0.000 2.540 185 R HA 0.891 5.231 4.340 0.000 0.000 0.287 185 R C -0.567 175.793 176.300 0.100 0.000 0.980 185 R CA -0.651 55.494 56.100 0.074 0.000 0.966 185 R CB 2.127 32.473 30.300 0.076 0.000 1.106 185 R HN 0.687 nan 8.270 nan 0.000 0.480 186 A N 1.916 124.840 122.820 0.174 0.000 2.606 186 A HA 0.727 5.047 4.320 0.000 0.000 0.293 186 A C -1.828 175.933 177.584 0.295 0.000 1.082 186 A CA -0.805 51.303 52.037 0.118 0.000 0.685 186 A CB 1.494 20.495 19.000 0.002 0.000 1.284 186 A HN 0.795 nan 8.150 nan 0.000 0.408 187 Y N -2.409 117.903 120.300 0.020 0.000 2.638 187 Y HA 0.644 5.194 4.550 0.000 0.000 0.334 187 Y C -1.497 174.384 175.900 -0.032 0.000 1.182 187 Y CA -1.585 56.560 58.100 0.074 0.000 1.102 187 Y CB 0.093 38.617 38.460 0.107 0.000 1.343 187 Y HN 0.648 nan 8.280 nan 0.000 0.463 188 Y N 1.858 122.274 120.300 0.193 0.000 2.480 188 Y HA 0.122 4.673 4.550 0.000 0.000 0.338 188 Y C 1.803 177.784 175.900 0.135 0.000 1.220 188 Y CA 0.520 58.664 58.100 0.075 0.000 1.430 188 Y CB 0.983 39.489 38.460 0.076 0.000 1.311 188 Y HN 0.922 nan 8.280 nan 0.000 0.575 189 E N 1.023 121.345 120.200 0.204 0.000 2.204 189 E HA -0.199 4.151 4.350 0.000 0.000 0.194 189 E C 0.428 177.149 176.600 0.203 0.000 0.989 189 E CA 0.933 57.435 56.400 0.170 0.000 0.824 189 E CB 0.092 29.845 29.700 0.089 0.000 0.756 189 E HN 0.634 nan 8.360 nan 0.000 0.477 190 N N 0.283 119.098 118.700 0.192 0.000 2.322 190 N HA 0.007 4.747 4.740 0.000 0.000 0.216 190 N C -0.894 174.696 175.510 0.133 0.000 1.144 190 N CA 0.447 53.576 53.050 0.132 0.000 0.830 190 N CB 1.184 39.715 38.487 0.072 0.000 1.034 190 N HN 0.011 nan 8.380 nan 0.000 0.484 191 S N -1.923 113.902 115.700 0.207 0.000 2.787 191 S HA 0.218 4.688 4.470 0.000 0.000 0.140 191 S C -2.374 172.333 174.600 0.180 0.000 1.240 191 S CA -0.799 57.502 58.200 0.168 0.000 1.163 191 S CB 1.340 64.644 63.200 0.173 0.000 1.652 191 S HN -0.130 nan 8.310 nan 0.000 0.443 192 P HA -0.193 nan 4.420 nan 0.000 0.222 192 P C 1.585 178.696 177.300 -0.315 0.000 1.147 192 P CA 1.248 64.231 63.100 -0.195 0.000 0.790 192 P CB 0.106 31.741 31.700 -0.107 0.000 0.780 193 Q N 0.496 120.214 119.800 -0.136 0.000 2.049 193 Q HA -0.116 4.224 4.340 0.000 0.000 0.198 193 Q C 1.320 177.236 176.000 -0.140 0.000 0.971 193 Q CA 0.950 56.672 55.803 -0.134 0.000 0.833 193 Q CB -1.159 27.532 28.738 -0.079 0.000 0.896 193 Q HN 0.336 nan 8.270 nan 0.000 0.434 194 Q N 1.572 121.318 119.800 -0.090 0.000 2.348 194 Q HA 0.332 4.673 4.340 0.000 0.000 0.251 194 Q C -1.397 174.509 176.000 -0.157 0.000 1.113 194 Q CA -0.207 55.511 55.803 -0.142 0.000 0.902 194 Q CB 0.594 29.287 28.738 -0.075 0.000 1.333 194 Q HN 0.064 nan 8.270 nan 0.000 0.457 195 V N 5.578 125.340 119.914 -0.253 0.000 2.459 195 V HA 0.432 4.552 4.120 0.000 0.000 0.295 195 V C -0.574 175.367 176.094 -0.254 0.000 1.029 195 V CA -0.581 61.649 62.300 -0.118 0.000 0.874 195 V CB 1.072 32.841 31.823 -0.090 0.000 0.985 195 V HN 0.565 nan 8.190 nan 0.000 0.438 196 F N 1.947 121.931 119.950 0.057 0.000 2.425 196 F HA 0.755 5.282 4.527 0.000 0.000 0.331 196 F C 0.700 176.526 175.800 0.044 0.000 1.085 196 F CA -0.224 57.797 58.000 0.035 0.000 1.028 196 F CB 1.954 40.952 39.000 -0.004 0.000 1.177 196 F HN 0.403 nan 8.300 nan 0.000 0.487 197 S N 0.063 115.891 115.700 0.214 0.000 2.556 197 S HA 0.774 5.244 4.470 0.000 0.000 0.271 197 S C -1.092 173.597 174.600 0.150 0.000 1.135 197 S CA -0.865 57.421 58.200 0.143 0.000 0.858 197 S CB 2.277 65.526 63.200 0.082 0.000 1.114 197 S HN 0.540 nan 8.310 nan 0.000 0.468 198 T N 1.919 116.554 114.554 0.136 0.000 2.952 198 T HA 0.436 4.786 4.350 0.000 0.000 0.305 198 T C -1.177 173.634 174.700 0.185 0.000 1.064 198 T CA -0.749 61.447 62.100 0.161 0.000 1.008 198 T CB 1.684 70.659 68.868 0.179 0.000 1.078 198 T HN 0.546 nan 8.240 nan 0.000 0.459 199 E N 1.609 121.919 120.200 0.184 0.000 2.222 199 E HA 0.698 5.048 4.350 0.000 0.000 0.272 199 E C -1.097 175.700 176.600 0.329 0.000 0.982 199 E CA -0.839 55.667 56.400 0.177 0.000 0.842 199 E CB 1.462 31.210 29.700 0.081 0.000 1.144 199 E HN 0.578 nan 8.360 nan 0.000 0.397 200 F N -1.207 118.849 119.950 0.176 0.000 2.596 200 F HA 0.412 4.939 4.527 0.000 0.000 0.311 200 F C -0.753 175.223 175.800 0.294 0.000 1.116 200 F CA -1.166 56.987 58.000 0.256 0.000 0.957 200 F CB 1.077 40.296 39.000 0.365 0.000 1.250 200 F HN 0.275 nan 8.300 nan 0.000 0.444 201 E N 2.584 122.964 120.200 0.300 0.000 2.259 201 E HA 0.575 4.925 4.350 0.000 0.000 0.281 201 E C -1.559 175.249 176.600 0.346 0.000 1.027 201 E CA -0.773 55.750 56.400 0.206 0.000 0.838 201 E CB 1.700 31.477 29.700 0.128 0.000 1.066 201 E HN 0.675 nan 8.360 nan 0.000 0.401 202 V N 5.761 125.865 119.914 0.317 0.000 2.357 202 V HA 0.430 4.551 4.120 0.000 0.000 0.284 202 V C -0.225 176.037 176.094 0.280 0.000 1.018 202 V CA -0.416 62.086 62.300 0.338 0.000 0.841 202 V CB 1.177 33.168 31.823 0.280 0.000 0.991 202 V HN 0.672 nan 8.190 nan 0.000 0.437 203 K N 3.647 124.221 120.400 0.289 0.000 2.587 203 K HA 0.438 4.758 4.320 0.000 0.000 0.276 203 K C -1.127 175.621 176.600 0.247 0.000 0.956 203 K CA -0.730 55.708 56.287 0.251 0.000 0.857 203 K CB 2.373 35.016 32.500 0.237 0.000 1.431 203 K HN 0.640 nan 8.250 nan 0.000 0.420 204 E N 2.918 123.201 120.200 0.138 0.000 2.223 204 E HA 0.206 4.556 4.350 0.000 0.000 0.282 204 E C -1.005 175.661 176.600 0.109 0.000 1.046 204 E CA -0.153 56.266 56.400 0.031 0.000 0.857 204 E CB 0.392 30.100 29.700 0.014 0.000 1.055 204 E HN 0.467 nan 8.360 nan 0.000 0.409 205 Y N -0.570 119.732 120.300 0.004 0.000 2.764 205 Y HA 0.633 5.183 4.550 0.000 0.000 0.331 205 Y C -1.441 174.450 175.900 -0.015 0.000 1.280 205 Y CA -1.415 56.680 58.100 -0.009 0.000 1.065 205 Y CB 0.794 39.245 38.460 -0.015 0.000 1.319 205 Y HN 0.155 nan 8.280 nan 0.000 0.453 206 V N -0.211 119.868 119.914 0.275 0.000 2.777 206 V HA 0.576 4.696 4.120 0.000 0.000 0.306 206 V C -1.133 175.076 176.094 0.193 0.000 1.112 206 V CA -1.075 61.323 62.300 0.162 0.000 0.917 206 V CB 1.255 33.111 31.823 0.055 0.000 1.018 206 V HN 0.825 nan 8.190 nan 0.000 0.426 207 L N 6.175 127.502 121.223 0.173 0.000 2.513 207 L HA 0.419 4.760 4.340 0.000 0.000 0.272 207 L C -1.744 175.143 176.870 0.030 0.000 1.187 207 L CA -0.173 54.721 54.840 0.089 0.000 0.895 207 L CB -0.496 41.612 42.059 0.082 0.000 1.147 207 L HN 0.602 nan 8.230 nan 0.000 0.483 208 P HA 0.185 nan 4.420 nan 0.000 0.273 208 P C 0.248 177.521 177.300 -0.045 0.000 1.250 208 P CA -0.367 62.661 63.100 -0.119 0.000 0.793 208 P CB 0.593 32.130 31.700 -0.271 0.000 1.011 209 S N -0.714 114.972 115.700 -0.024 0.000 2.486 209 S HA 0.171 4.641 4.470 0.000 0.000 0.220 209 S C 0.377 175.161 174.600 0.306 0.000 1.011 209 S CA -0.019 58.322 58.200 0.236 0.000 0.921 209 S CB -0.706 62.758 63.200 0.440 0.000 0.785 209 S HN 0.504 nan 8.310 nan 0.000 0.517 210 F N 1.146 121.109 119.950 0.022 0.000 2.629 210 F HA 0.829 5.356 4.527 0.000 0.000 0.316 210 F C -0.747 174.994 175.800 -0.100 0.000 1.081 210 F CA -1.384 56.537 58.000 -0.132 0.000 0.954 210 F CB 0.949 39.653 39.000 -0.493 0.000 1.337 210 F HN 0.133 nan 8.300 nan 0.000 0.474 211 E N 0.738 120.994 120.200 0.094 0.000 2.227 211 E HA 0.753 5.103 4.350 0.000 0.000 0.268 211 E C -1.690 174.982 176.600 0.119 0.000 0.990 211 E CA -1.150 55.269 56.400 0.031 0.000 0.856 211 E CB 2.393 32.108 29.700 0.026 0.000 1.159 211 E HN 0.524 nan 8.360 nan 0.000 0.401 212 V N 2.487 122.435 119.914 0.055 0.000 2.588 212 V HA 0.415 4.535 4.120 0.000 0.000 0.304 212 V C -0.422 175.686 176.094 0.023 0.000 1.042 212 V CA -0.658 61.680 62.300 0.064 0.000 0.877 212 V CB 1.291 33.160 31.823 0.077 0.000 0.996 212 V HN 0.630 nan 8.190 nan 0.000 0.425 213 I N 4.733 125.311 120.570 0.014 0.000 2.509 213 I HA 0.617 4.787 4.170 0.000 0.000 0.293 213 I C -0.561 175.557 176.117 0.000 0.000 1.020 213 I CA -1.124 60.179 61.300 0.006 0.000 1.088 213 I CB 2.315 40.316 38.000 0.003 0.000 1.267 213 I HN 0.474 nan 8.210 nan 0.000 0.430 214 V N 1.493 121.408 119.914 0.002 0.000 2.327 214 V HA 0.485 4.605 4.120 0.000 0.000 0.272 214 V C -0.544 175.556 176.094 0.011 0.000 1.019 214 V CA -0.527 61.773 62.300 -0.000 0.000 0.814 214 V CB 0.612 32.429 31.823 -0.011 0.000 1.040 214 V HN 0.733 nan 8.190 nan 0.000 0.440 215 E N 5.533 125.739 120.200 0.010 0.000 2.092 215 E HA 0.451 4.801 4.350 0.000 0.000 0.271 215 E C -2.697 173.911 176.600 0.013 0.000 0.919 215 E CA -1.904 54.503 56.400 0.012 0.000 0.760 215 E CB 2.189 31.892 29.700 0.006 0.000 1.106 215 E HN 0.500 nan 8.360 nan 0.000 0.408 216 P HA -0.059 nan 4.420 nan 0.000 0.272 216 P C 1.034 178.322 177.300 -0.019 0.000 1.230 216 P CA -0.075 63.033 63.100 0.014 0.000 0.788 216 P CB 0.605 32.317 31.700 0.020 0.000 0.949 217 T N -2.004 112.532 114.554 -0.031 0.000 2.803 217 T HA -0.108 4.242 4.350 0.000 0.000 0.269 217 T C 0.537 175.174 174.700 -0.104 0.000 1.052 217 T CA 1.297 63.365 62.100 -0.053 0.000 1.136 217 T CB -0.335 68.503 68.868 -0.050 0.000 0.864 217 T HN 0.333 nan 8.240 nan 0.000 0.467 218 E N 0.440 120.535 120.200 -0.174 0.000 2.277 218 E HA 0.403 4.753 4.350 0.000 0.000 0.266 218 E C -0.319 176.133 176.600 -0.246 0.000 0.901 218 E CA -0.678 55.518 56.400 -0.340 0.000 0.782 218 E CB 1.932 31.172 29.700 -0.767 0.000 1.228 218 E HN 0.266 nan 8.360 nan 0.000 0.424 219 K N 1.410 121.731 120.400 -0.131 0.000 2.589 219 K HA 0.136 4.456 4.320 0.000 0.000 0.204 219 K C -0.151 176.598 176.600 0.247 0.000 1.029 219 K CA 0.274 56.612 56.287 0.086 0.000 1.177 219 K CB -0.414 32.181 32.500 0.159 0.000 0.902 219 K HN 0.296 nan 8.250 nan 0.000 0.501 220 F N -3.280 116.705 119.950 0.059 0.000 3.732 220 F HA 0.417 4.945 4.527 0.000 0.000 0.330 220 F C -1.829 174.078 175.800 0.178 0.000 1.111 220 F CA -1.772 56.281 58.000 0.089 0.000 0.854 220 F CB 0.856 39.882 39.000 0.044 0.000 1.653 220 F HN -0.181 nan 8.300 nan 0.000 0.508 221 Y N 0.833 121.322 120.300 0.316 0.000 2.390 221 Y HA 0.475 5.025 4.550 0.000 0.000 0.324 221 Y C -2.061 174.022 175.900 0.304 0.000 1.151 221 Y CA -1.482 56.711 58.100 0.154 0.000 1.053 221 Y CB 1.177 39.658 38.460 0.035 0.000 1.277 221 Y HN 0.774 nan 8.280 nan 0.000 0.432 222 Y N 7.106 127.115 120.300 -0.486 0.000 2.359 222 Y HA 0.313 4.863 4.550 0.000 0.000 0.334 222 Y C 0.574 176.007 175.900 -0.779 0.000 1.058 222 Y CA -0.333 57.539 58.100 -0.380 0.000 1.244 222 Y CB 0.788 39.161 38.460 -0.145 0.000 1.187 222 Y HN 0.736 nan 8.280 nan 0.000 0.510 223 I N 4.661 124.672 120.570 -0.933 0.000 2.163 223 I HA -0.346 3.824 4.170 0.000 0.000 0.243 223 I C 1.136 176.833 176.117 -0.699 0.000 1.085 223 I CA 1.693 62.541 61.300 -0.753 0.000 1.347 223 I CB -0.772 36.688 38.000 -0.900 0.000 1.044 223 I HN 0.655 nan 8.210 nan 0.000 0.408 224 Y N -0.095 119.837 120.300 -0.614 0.000 2.465 224 Y HA 0.145 4.695 4.550 0.000 0.000 0.311 224 Y C 0.865 176.812 175.900 0.080 0.000 1.204 224 Y CA -0.511 57.495 58.100 -0.157 0.000 1.272 224 Y CB -1.038 37.405 38.460 -0.028 0.000 1.083 224 Y HN 0.072 nan 8.280 nan 0.000 0.508 225 N N 1.958 120.726 118.700 0.112 0.000 2.448 225 N HA -0.018 4.722 4.740 0.000 0.000 0.250 225 N C 0.674 176.244 175.510 0.100 0.000 1.136 225 N CA 0.266 53.385 53.050 0.114 0.000 0.953 225 N CB 0.327 38.772 38.487 -0.072 0.000 1.251 225 N HN 0.419 nan 8.380 nan 0.000 0.502 226 E N 2.415 122.680 120.200 0.107 0.000 2.153 226 E HA -0.200 4.150 4.350 0.000 0.000 0.194 226 E C 1.030 177.673 176.600 0.072 0.000 0.988 226 E CA 1.080 57.531 56.400 0.085 0.000 0.811 226 E CB 0.214 29.955 29.700 0.068 0.000 0.746 226 E HN 0.612 nan 8.360 nan 0.000 0.466 227 K N 0.226 120.666 120.400 0.066 0.000 2.103 227 K HA -0.088 4.232 4.320 0.000 0.000 0.207 227 K C 1.202 177.840 176.600 0.062 0.000 1.048 227 K CA 0.822 57.139 56.287 0.050 0.000 0.930 227 K CB -0.179 32.343 32.500 0.036 0.000 0.716 227 K HN 0.230 nan 8.250 nan 0.000 0.444 228 G N 0.769 109.654 108.800 0.142 0.000 2.512 228 G HA2 -0.195 3.765 3.960 0.000 0.000 0.210 228 G HA3 -0.195 3.765 3.960 0.000 0.000 0.210 228 G C -1.660 173.357 174.900 0.195 0.000 1.295 228 G CA -0.475 44.723 45.100 0.163 0.000 0.934 228 G HN 0.125 nan 8.290 nan 0.000 0.554 229 L N 1.498 122.683 121.223 -0.063 0.000 2.301 229 L HA 0.662 5.002 4.340 0.000 0.000 0.278 229 L C 0.175 177.001 176.870 -0.073 0.000 1.022 229 L CA -0.563 54.225 54.840 -0.086 0.000 0.854 229 L CB 0.736 42.605 42.059 -0.317 0.000 1.226 229 L HN 0.567 nan 8.230 nan 0.000 0.429 230 E N 4.107 124.303 120.200 -0.006 0.000 2.167 230 E HA 0.461 4.811 4.350 0.000 0.000 0.284 230 E C -1.010 175.613 176.600 0.039 0.000 1.016 230 E CA -0.536 55.872 56.400 0.013 0.000 0.817 230 E CB 1.926 31.628 29.700 0.004 0.000 1.080 230 E HN 0.369 nan 8.360 nan 0.000 0.397 231 V N 3.101 123.063 119.914 0.080 0.000 2.604 231 V HA 0.269 4.389 4.120 0.000 0.000 0.305 231 V C 0.046 176.165 176.094 0.043 0.000 1.043 231 V CA -0.778 61.570 62.300 0.080 0.000 0.888 231 V CB 2.176 34.087 31.823 0.146 0.000 0.995 231 V HN 0.685 nan 8.190 nan 0.000 0.429 232 T N 5.687 120.253 114.554 0.020 0.000 2.875 232 T HA 0.542 4.892 4.350 0.000 0.000 0.284 232 T C -0.251 174.446 174.700 -0.005 0.000 0.995 232 T CA -0.244 61.859 62.100 0.004 0.000 1.060 232 T CB 0.816 69.683 68.868 -0.002 0.000 0.967 232 T HN 0.322 nan 8.240 nan 0.000 0.476 233 I N 3.763 124.323 120.570 -0.016 0.000 2.460 233 I HA 0.229 4.400 4.170 0.000 0.000 0.277 233 I C 0.342 176.439 176.117 -0.033 0.000 1.057 233 I CA -0.441 60.844 61.300 -0.026 0.000 1.179 233 I CB 0.295 38.272 38.000 -0.038 0.000 1.329 233 I HN 0.551 nan 8.210 nan 0.000 0.478 234 T N 5.328 119.867 114.554 -0.025 0.000 2.749 234 T HA 0.691 5.041 4.350 0.000 0.000 0.287 234 T C 0.195 174.874 174.700 -0.035 0.000 0.970 234 T CA -0.450 61.630 62.100 -0.032 0.000 0.980 234 T CB 1.470 70.326 68.868 -0.021 0.000 0.924 234 T HN 0.658 nan 8.240 nan 0.000 0.456 235 A N 4.643 127.420 122.820 -0.072 0.000 2.357 235 A HA 0.770 5.090 4.320 0.000 0.000 0.295 235 A C -0.204 177.273 177.584 -0.179 0.000 1.121 235 A CA -1.112 50.868 52.037 -0.095 0.000 0.742 235 A CB 1.011 19.923 19.000 -0.147 0.000 1.181 235 A HN 0.906 nan 8.150 nan 0.000 0.454 236 R N 1.481 121.903 120.500 -0.130 0.000 2.725 236 R HA 0.757 5.097 4.340 0.000 0.000 0.277 236 R C -1.357 174.853 176.300 -0.150 0.000 0.987 236 R CA -0.717 55.284 56.100 -0.166 0.000 0.901 236 R CB 0.869 31.132 30.300 -0.062 0.000 1.207 236 R HN 0.310 nan 8.270 nan 0.000 0.463 237 F N 1.370 121.214 119.950 -0.177 0.000 2.586 237 F HA 0.014 4.541 4.527 0.000 0.000 0.335 237 F C 1.878 177.503 175.800 -0.292 0.000 1.210 237 F CA -0.005 57.814 58.000 -0.301 0.000 1.359 237 F CB 0.358 38.816 39.000 -0.904 0.000 1.142 237 F HN 0.436 nan 8.300 nan 0.000 0.606 238 L N 0.701 121.933 121.223 0.015 0.000 2.275 238 L HA -0.214 4.127 4.340 0.000 0.000 0.215 238 L C 1.197 178.134 176.870 0.112 0.000 1.119 238 L CA 0.942 55.836 54.840 0.089 0.000 0.790 238 L CB -0.639 41.531 42.059 0.184 0.000 0.919 238 L HN 0.697 nan 8.230 nan 0.000 0.443 239 Y N -2.307 118.096 120.300 0.173 0.000 2.532 239 Y HA 0.583 5.133 4.550 0.000 0.000 0.283 239 Y C 1.459 177.421 175.900 0.103 0.000 1.181 239 Y CA -0.138 58.025 58.100 0.106 0.000 1.256 239 Y CB -0.363 38.134 38.460 0.061 0.000 1.112 239 Y HN 0.055 nan 8.280 nan 0.000 0.521 240 G N -0.125 108.685 108.800 0.017 0.000 2.345 240 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 240 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 240 G C 0.450 175.372 174.900 0.035 0.000 1.058 240 G CA -0.275 44.852 45.100 0.044 0.000 0.632 240 G HN 0.155 nan 8.290 nan 0.000 0.508 241 K N 1.625 122.054 120.400 0.047 0.000 2.455 241 K HA 0.254 4.574 4.320 0.000 0.000 0.269 241 K C 0.680 177.367 176.600 0.145 0.000 0.972 241 K CA 0.433 56.792 56.287 0.120 0.000 0.938 241 K CB 0.311 32.919 32.500 0.180 0.000 0.931 241 K HN 0.547 nan 8.250 nan 0.000 0.507 242 K N 0.706 121.181 120.400 0.124 0.000 2.118 242 K HA 0.280 4.600 4.320 0.000 0.000 0.267 242 K C -0.258 176.350 176.600 0.013 0.000 0.991 242 K CA -0.750 55.556 56.287 0.032 0.000 0.916 242 K CB 1.244 33.751 32.500 0.011 0.000 1.041 242 K HN 0.136 nan 8.250 nan 0.000 0.455 243 V N 2.899 122.679 119.914 -0.222 0.000 2.546 243 V HA 0.075 4.195 4.120 0.000 0.000 0.284 243 V C 0.057 176.023 176.094 -0.214 0.000 1.050 243 V CA -0.301 61.740 62.300 -0.430 0.000 0.981 243 V CB 1.191 32.501 31.823 -0.855 0.000 0.990 243 V HN 0.658 nan 8.190 nan 0.000 0.474 244 E N 3.562 123.693 120.200 -0.115 0.000 2.114 244 E HA 0.668 5.019 4.350 0.000 0.000 0.266 244 E C 0.195 176.725 176.600 -0.116 0.000 0.896 244 E CA 0.000 56.419 56.400 0.031 0.000 0.750 244 E CB 1.886 31.705 29.700 0.197 0.000 1.121 244 E HN 0.924 nan 8.360 nan 0.000 0.413 245 G N 1.569 110.187 108.800 -0.303 0.000 2.428 245 G HA2 0.329 4.289 3.960 0.000 0.000 0.305 245 G HA3 0.329 4.289 3.960 0.000 0.000 0.305 245 G C -0.910 173.742 174.900 -0.413 0.000 1.260 245 G CA -0.493 44.177 45.100 -0.716 0.000 0.853 245 G HN 0.255 nan 8.290 nan 0.000 0.480 246 T N -0.059 114.293 114.554 -0.336 0.000 2.940 246 T HA 0.788 5.138 4.350 0.000 0.000 0.288 246 T C -0.205 174.362 174.700 -0.221 0.000 1.033 246 T CA 0.253 62.203 62.100 -0.251 0.000 1.033 246 T CB 1.685 70.406 68.868 -0.246 0.000 1.079 246 T HN 1.506 nan 8.240 nan 0.000 0.496 247 A N 1.519 124.144 122.820 -0.325 0.000 2.393 247 A HA 0.778 5.098 4.320 0.000 0.000 0.306 247 A C -1.504 175.847 177.584 -0.388 0.000 1.050 247 A CA -0.725 51.185 52.037 -0.213 0.000 0.724 247 A CB 0.736 19.662 19.000 -0.123 0.000 1.248 247 A HN 0.692 nan 8.150 nan 0.000 0.424 248 F N 2.117 122.041 119.950 -0.043 0.000 2.347 248 F HA 0.504 5.032 4.527 0.000 0.000 0.366 248 F C 0.230 175.985 175.800 -0.075 0.000 1.107 248 F CA -0.663 57.310 58.000 -0.046 0.000 1.058 248 F CB 1.926 40.907 39.000 -0.033 0.000 1.236 248 F HN 0.385 nan 8.300 nan 0.000 0.456 249 V N 6.191 126.110 119.914 0.009 0.000 2.513 249 V HA 0.698 4.818 4.120 0.000 0.000 0.299 249 V C -0.962 175.021 176.094 -0.184 0.000 1.035 249 V CA -0.621 61.602 62.300 -0.128 0.000 0.889 249 V CB 1.715 33.420 31.823 -0.197 0.000 0.988 249 V HN 0.742 nan 8.190 nan 0.000 0.440 250 I N 5.104 125.483 120.570 -0.318 0.000 2.969 250 I HA 0.635 4.805 4.170 0.000 0.000 0.307 250 I C -1.509 174.279 176.117 -0.549 0.000 1.149 250 I CA -0.755 60.384 61.300 -0.270 0.000 1.008 250 I CB 2.394 40.347 38.000 -0.079 0.000 1.232 250 I HN 0.678 nan 8.210 nan 0.000 0.435 251 F N 2.434 122.286 119.950 -0.165 0.000 2.639 251 F HA 0.919 5.446 4.527 0.000 0.000 0.339 251 F C 0.594 176.098 175.800 -0.494 0.000 1.071 251 F CA -0.475 57.333 58.000 -0.319 0.000 0.994 251 F CB 1.995 40.844 39.000 -0.252 0.000 1.341 251 F HN 0.452 nan 8.300 nan 0.000 0.498 252 G N 0.084 108.527 108.800 -0.594 0.000 2.523 252 G HA2 0.582 4.542 3.960 0.000 0.000 0.291 252 G HA3 0.582 4.542 3.960 0.000 0.000 0.291 252 G C -2.140 172.491 174.900 -0.448 0.000 1.450 252 G CA -0.785 43.912 45.100 -0.672 0.000 0.790 252 G HN 0.528 nan 8.290 nan 0.000 0.496 253 I N 0.267 120.820 120.570 -0.029 0.000 2.441 253 I HA 0.488 4.658 4.170 0.000 0.000 0.295 253 I C -0.212 176.052 176.117 0.245 0.000 0.994 253 I CA -0.710 60.646 61.300 0.093 0.000 1.144 253 I CB 2.259 40.277 38.000 0.029 0.000 1.314 253 I HN 0.467 nan 8.210 nan 0.000 0.445 254 Q N 5.926 125.858 119.800 0.221 0.000 2.327 254 Q HA 0.268 4.609 4.340 0.000 0.000 0.270 254 Q C -1.638 174.415 176.000 0.088 0.000 1.022 254 Q CA -0.506 55.391 55.803 0.156 0.000 0.773 254 Q CB 1.845 30.667 28.738 0.139 0.000 1.251 254 Q HN 0.645 nan 8.270 nan 0.000 0.457 255 D N 3.760 124.197 120.400 0.061 0.000 2.402 255 D HA 0.461 5.101 4.640 0.000 0.000 0.252 255 D C -0.042 176.276 176.300 0.029 0.000 1.294 255 D CA 0.532 54.557 54.000 0.042 0.000 0.948 255 D CB 0.884 41.706 40.800 0.036 0.000 1.202 255 D HN 0.902 nan 8.370 nan 0.000 0.561 256 G N 3.699 112.514 108.800 0.025 0.000 2.587 256 G HA2 -0.223 3.737 3.960 0.000 0.000 0.212 256 G HA3 -0.223 3.737 3.960 0.000 0.000 0.212 256 G C -0.075 174.830 174.900 0.008 0.000 1.327 256 G CA -0.646 44.464 45.100 0.016 0.000 0.898 256 G HN 0.435 nan 8.290 nan 0.000 0.551 257 E N 0.982 121.183 120.200 0.001 0.000 2.545 257 E HA 0.380 4.730 4.350 0.000 0.000 0.271 257 E C 0.578 177.171 176.600 -0.011 0.000 1.508 257 E CA 0.654 57.048 56.400 -0.009 0.000 1.774 257 E CB 0.254 29.948 29.700 -0.010 0.000 1.460 257 E HN 0.577 nan 8.360 nan 0.000 0.449 258 Q N 0.343 120.139 119.800 -0.006 0.000 2.295 258 Q HA 0.347 4.687 4.340 0.000 0.000 0.268 258 Q C -1.069 174.938 176.000 0.012 0.000 1.010 258 Q CA -0.704 55.099 55.803 -0.001 0.000 0.856 258 Q CB 1.210 29.953 28.738 0.008 0.000 1.349 258 Q HN 0.117 nan 8.270 nan 0.000 0.412 259 R N 2.766 123.272 120.500 0.010 0.000 2.668 259 R HA 0.618 4.958 4.340 0.000 0.000 0.279 259 R C -0.540 175.821 176.300 0.101 0.000 0.976 259 R CA -0.868 55.268 56.100 0.059 0.000 0.978 259 R CB 1.360 31.640 30.300 -0.032 0.000 1.133 259 R HN 0.494 nan 8.270 nan 0.000 0.484 260 I N 1.588 122.256 120.570 0.163 0.000 2.466 260 I HA 0.125 4.295 4.170 0.000 0.000 0.279 260 I C 0.312 176.510 176.117 0.134 0.000 1.033 260 I CA -0.351 61.018 61.300 0.116 0.000 1.123 260 I CB 1.210 39.252 38.000 0.070 0.000 1.237 260 I HN 0.549 nan 8.210 nan 0.000 0.460 261 S N 6.619 122.397 115.700 0.131 0.000 2.579 261 S HA 0.476 4.946 4.470 0.000 0.000 0.275 261 S C -0.039 174.582 174.600 0.035 0.000 1.345 261 S CA -0.149 58.113 58.200 0.104 0.000 1.031 261 S CB 0.470 63.733 63.200 0.105 0.000 0.892 261 S HN 0.468 nan 8.310 nan 0.000 0.529 262 L N 5.638 126.864 121.223 0.004 0.000 2.387 262 L HA 0.322 4.662 4.340 0.000 0.000 0.259 262 L C -1.910 174.972 176.870 0.019 0.000 1.050 262 L CA -1.731 53.110 54.840 0.002 0.000 0.922 262 L CB 1.291 43.339 42.059 -0.018 0.000 1.280 262 L HN 0.508 nan 8.230 nan 0.000 0.449 263 P HA -0.201 nan 4.420 nan 0.000 0.221 263 P C 1.290 178.606 177.300 0.028 0.000 1.145 263 P CA 1.056 64.171 63.100 0.026 0.000 0.795 263 P CB 0.362 32.074 31.700 0.021 0.000 0.775 264 E N 0.123 120.336 120.200 0.021 0.000 2.274 264 E HA -0.072 4.278 4.350 0.000 0.000 0.194 264 E C 0.473 177.092 176.600 0.032 0.000 0.996 264 E CA 0.625 57.036 56.400 0.018 0.000 0.840 264 E CB -0.092 29.610 29.700 0.002 0.000 0.772 264 E HN 0.204 nan 8.360 nan 0.000 0.491 265 S N 0.935 116.668 115.700 0.055 0.000 2.704 265 S HA 0.226 4.696 4.470 0.000 0.000 0.241 265 S C -0.224 174.471 174.600 0.158 0.000 1.264 265 S CA -0.691 57.581 58.200 0.121 0.000 1.236 265 S CB 0.108 63.418 63.200 0.183 0.000 0.928 265 S HN 0.127 nan 8.310 nan 0.000 0.492 266 L N 2.074 123.353 121.223 0.093 0.000 2.282 266 L HA 0.667 5.007 4.340 0.000 0.000 0.288 266 L C -0.714 176.201 176.870 0.074 0.000 1.033 266 L CA 0.045 54.933 54.840 0.080 0.000 0.807 266 L CB 0.872 42.974 42.059 0.071 0.000 1.209 266 L HN 0.132 nan 8.230 nan 0.000 0.423 267 K N 4.570 125.007 120.400 0.062 0.000 2.443 267 K HA 0.499 4.819 4.320 0.000 0.000 0.251 267 K C -0.997 175.579 176.600 -0.039 0.000 0.972 267 K CA -0.680 55.622 56.287 0.026 0.000 0.833 267 K CB 2.410 34.936 32.500 0.043 0.000 1.317 267 K HN 0.544 nan 8.250 nan 0.000 0.441 268 R N 2.703 123.141 120.500 -0.103 0.000 2.585 268 R HA 0.291 4.631 4.340 0.000 0.000 0.278 268 R C -0.244 175.920 176.300 -0.227 0.000 1.663 268 R CA -0.266 55.669 56.100 -0.276 0.000 1.592 268 R CB -0.068 30.058 30.300 -0.290 0.000 1.200 268 R HN 0.720 nan 8.270 nan 0.000 0.611 269 I N -0.138 120.316 120.570 -0.193 0.000 2.440 269 I HA 0.614 4.784 4.170 0.000 0.000 0.294 269 I C -2.431 173.593 176.117 -0.155 0.000 0.995 269 I CA -2.760 58.460 61.300 -0.133 0.000 1.306 269 I CB 1.187 39.137 38.000 -0.083 0.000 1.407 269 I HN 0.194 nan 8.210 nan 0.000 0.501 270 P HA 0.252 nan 4.420 nan 0.000 0.274 270 P C -0.723 176.531 177.300 -0.078 0.000 1.231 270 P CA -0.203 62.846 63.100 -0.085 0.000 0.790 270 P CB 0.643 32.320 31.700 -0.037 0.000 0.951 271 I N 2.314 122.835 120.570 -0.081 0.000 2.412 271 I HA 0.255 4.425 4.170 0.000 0.000 0.279 271 I C 0.371 176.463 176.117 -0.042 0.000 1.063 271 I CA -0.280 60.970 61.300 -0.084 0.000 1.193 271 I CB -0.160 37.755 38.000 -0.141 0.000 1.370 271 I HN 0.306 nan 8.210 nan 0.000 0.479 272 E N 3.866 124.051 120.200 -0.024 0.000 2.191 272 E HA 0.192 4.543 4.350 0.000 0.000 0.278 272 E C -0.149 176.442 176.600 -0.015 0.000 0.972 272 E CA -0.524 55.874 56.400 -0.004 0.000 0.804 272 E CB 1.258 30.958 29.700 -0.000 0.000 1.110 272 E HN 0.359 nan 8.360 nan 0.000 0.394 273 D N 2.244 122.641 120.400 -0.006 0.000 2.772 273 D HA -0.178 4.462 4.640 0.000 0.000 0.233 273 D C 0.517 176.803 176.300 -0.024 0.000 1.143 273 D CA 1.474 55.470 54.000 -0.007 0.000 0.700 273 D CB -1.251 39.546 40.800 -0.004 0.000 1.076 273 D HN 0.920 nan 8.370 nan 0.000 0.430 274 G N -0.864 107.906 108.800 -0.051 0.000 2.305 274 G HA2 -0.145 3.815 3.960 0.000 0.000 0.287 274 G HA3 -0.145 3.815 3.960 0.000 0.000 0.287 274 G C 0.099 174.957 174.900 -0.070 0.000 1.036 274 G CA 1.171 46.219 45.100 -0.086 0.000 0.887 274 G HN 1.250 nan 8.290 nan 0.000 0.505 275 S N -1.625 114.040 115.700 -0.060 0.000 2.537 275 S HA 0.875 5.345 4.470 0.000 0.000 0.270 275 S C 0.025 174.597 174.600 -0.047 0.000 1.142 275 S CA 0.683 58.855 58.200 -0.046 0.000 0.870 275 S CB 1.725 64.907 63.200 -0.030 0.000 1.112 275 S HN 1.784 nan 8.310 nan 0.000 0.466 276 G N 1.140 109.915 108.800 -0.042 0.000 2.708 276 G HA2 0.667 4.627 3.960 0.000 0.000 0.289 276 G HA3 0.667 4.627 3.960 0.000 0.000 0.289 276 G C -1.956 172.929 174.900 -0.026 0.000 1.416 276 G CA -0.517 44.558 45.100 -0.041 0.000 0.829 276 G HN 0.629 nan 8.290 nan 0.000 0.480 277 E N -0.895 119.292 120.200 -0.021 0.000 2.291 277 E HA 0.553 4.903 4.350 0.000 0.000 0.276 277 E C -1.706 174.897 176.600 0.006 0.000 0.896 277 E CA -0.579 55.818 56.400 -0.005 0.000 0.774 277 E CB 2.158 31.855 29.700 -0.005 0.000 1.227 277 E HN 0.742 nan 8.360 nan 0.000 0.413 278 V N 4.669 124.603 119.914 0.033 0.000 2.876 278 V HA 0.803 4.924 4.120 0.000 0.000 0.312 278 V C -1.462 174.695 176.094 0.105 0.000 1.085 278 V CA -0.557 61.785 62.300 0.070 0.000 0.945 278 V CB 2.057 33.935 31.823 0.092 0.000 1.017 278 V HN 0.559 nan 8.190 nan 0.000 0.428 279 V N 6.300 126.261 119.914 0.079 0.000 2.735 279 V HA 0.522 4.642 4.120 0.000 0.000 0.310 279 V C -0.710 175.332 176.094 -0.086 0.000 1.061 279 V CA -0.720 61.585 62.300 0.008 0.000 0.913 279 V CB 1.744 33.558 31.823 -0.014 0.000 1.005 279 V HN 0.790 nan 8.190 nan 0.000 0.428 280 L N 5.001 126.037 121.223 -0.312 0.000 2.272 280 L HA 0.523 4.863 4.340 0.000 0.000 0.284 280 L C 0.673 177.352 176.870 -0.318 0.000 1.045 280 L CA 0.036 54.546 54.840 -0.550 0.000 0.842 280 L CB 1.017 42.319 42.059 -1.261 0.000 1.224 280 L HN 0.822 nan 8.230 nan 0.000 0.430 281 S N 3.432 119.018 115.700 -0.190 0.000 2.552 281 S HA 0.040 4.510 4.470 0.000 0.000 0.289 281 S C 1.273 175.799 174.600 -0.123 0.000 1.304 281 S CA -0.069 58.063 58.200 -0.112 0.000 1.063 281 S CB 0.449 63.608 63.200 -0.069 0.000 0.848 281 S HN 0.833 nan 8.310 nan 0.000 0.499 282 R N 1.491 121.955 120.500 -0.060 0.000 2.159 282 R HA -0.152 4.188 4.340 0.000 0.000 0.237 282 R C 2.000 178.273 176.300 -0.045 0.000 1.131 282 R CA 1.547 57.627 56.100 -0.032 0.000 0.982 282 R CB -0.230 30.103 30.300 0.055 0.000 0.868 282 R HN 0.726 nan 8.270 nan 0.000 0.453 283 K N 0.162 120.539 120.400 -0.040 0.000 2.002 283 K HA -0.092 4.228 4.320 0.000 0.000 0.209 283 K C 1.721 178.292 176.600 -0.050 0.000 1.048 283 K CA 1.875 58.142 56.287 -0.033 0.000 0.930 283 K CB -0.445 32.041 32.500 -0.024 0.000 0.714 283 K HN 0.053 nan 8.250 nan 0.000 0.438 284 V N 1.249 121.121 119.914 -0.069 0.000 2.490 284 V HA -0.184 3.936 4.120 0.000 0.000 0.250 284 V C 2.257 178.292 176.094 -0.097 0.000 1.061 284 V CA 1.519 63.774 62.300 -0.075 0.000 1.064 284 V CB -0.562 31.212 31.823 -0.083 0.000 0.670 284 V HN 0.342 nan 8.190 nan 0.000 0.461 285 L N 0.067 121.208 121.223 -0.136 0.000 1.976 285 L HA -0.139 4.201 4.340 0.000 0.000 0.209 285 L C 2.219 179.030 176.870 -0.098 0.000 1.071 285 L CA 2.028 56.773 54.840 -0.158 0.000 0.746 285 L CB -0.647 41.279 42.059 -0.222 0.000 0.890 285 L HN 0.197 nan 8.230 nan 0.000 0.432 286 L N -0.601 120.579 121.223 -0.072 0.000 2.131 286 L HA -0.180 4.160 4.340 0.000 0.000 0.210 286 L C 2.155 179.003 176.870 -0.038 0.000 1.092 286 L CA 1.336 56.147 54.840 -0.048 0.000 0.759 286 L CB -0.780 41.259 42.059 -0.034 0.000 0.903 286 L HN 0.344 nan 8.230 nan 0.000 0.435 287 D N 0.095 120.472 120.400 -0.038 0.000 2.312 287 D HA -0.074 4.566 4.640 0.000 0.000 0.211 287 D C 2.055 178.339 176.300 -0.027 0.000 0.964 287 D CA 0.968 54.952 54.000 -0.027 0.000 0.877 287 D CB 0.154 40.939 40.800 -0.025 0.000 0.924 287 D HN 0.229 nan 8.370 nan 0.000 0.515 288 G N 0.236 109.013 108.800 -0.039 0.000 2.421 288 G HA2 -0.152 3.808 3.960 0.000 0.000 0.216 288 G HA3 -0.152 3.808 3.960 0.000 0.000 0.216 288 G C 1.352 176.240 174.900 -0.021 0.000 1.171 288 G CA 1.187 46.267 45.100 -0.033 0.000 0.775 288 G HN 0.223 nan 8.290 nan 0.000 0.543 289 V N -1.018 118.882 119.914 -0.023 0.000 4.510 289 V HA 0.214 4.334 4.120 0.000 0.000 0.153 289 V C 1.481 177.569 176.094 -0.010 0.000 1.194 289 V CA 0.706 62.998 62.300 -0.014 0.000 1.217 289 V CB 0.135 31.949 31.823 -0.016 0.000 1.157 289 V HN 0.268 nan 8.190 nan 0.000 0.363 290 Q N -1.326 118.468 119.800 -0.009 0.000 1.480 290 Q HA 0.107 4.447 4.340 0.000 0.000 0.150 290 Q C -0.038 175.959 176.000 -0.006 0.000 0.685 290 Q CA -0.209 55.590 55.803 -0.006 0.000 0.680 290 Q CB -0.315 28.421 28.738 -0.003 0.000 1.161 290 Q HN 0.662 nan 8.270 nan 0.000 0.352 291 N N 3.131 121.827 118.700 -0.007 0.000 2.438 291 N HA 0.069 4.810 4.740 0.000 0.000 0.267 291 N C -1.708 173.797 175.510 -0.007 0.000 1.222 291 N CA -0.891 52.156 53.050 -0.006 0.000 0.930 291 N CB 1.313 39.796 38.487 -0.007 0.000 1.083 291 N HN -0.094 nan 8.380 nan 0.000 0.476 292 P HA -0.146 nan 4.420 nan 0.000 0.216 292 P C -0.129 177.170 177.300 -0.002 0.000 1.157 292 P CA 1.288 64.388 63.100 -0.001 0.000 0.880 292 P CB 0.164 31.867 31.700 0.004 0.000 0.791 293 R N -0.753 119.746 120.500 -0.002 0.000 2.679 293 R HA 0.265 4.605 4.340 0.000 0.000 0.268 293 R C 1.085 177.370 176.300 -0.024 0.000 1.044 293 R CA 0.414 56.512 56.100 -0.004 0.000 1.105 293 R CB 0.123 30.422 30.300 -0.000 0.000 0.989 293 R HN 0.102 nan 8.270 nan 0.000 0.447 294 A N 2.138 124.931 122.820 -0.044 0.000 2.288 294 A HA 0.047 4.367 4.320 0.000 0.000 0.216 294 A C 1.119 178.615 177.584 -0.148 0.000 1.199 294 A CA 0.005 51.980 52.037 -0.105 0.000 0.891 294 A CB 0.327 19.233 19.000 -0.156 0.000 0.923 294 A HN 0.694 nan 8.150 nan 0.000 0.500 295 E N 0.723 120.867 120.200 -0.093 0.000 2.435 295 E HA -0.026 4.324 4.350 0.000 0.000 0.195 295 E C 0.560 177.133 176.600 -0.046 0.000 1.029 295 E CA 0.573 56.926 56.400 -0.078 0.000 0.865 295 E CB -0.002 29.695 29.700 -0.004 0.000 0.833 295 E HN 0.409 nan 8.360 nan 0.000 0.510 296 D N -0.231 120.148 120.400 -0.035 0.000 2.347 296 D HA -0.001 4.639 4.640 0.000 0.000 0.215 296 D C 1.358 177.645 176.300 -0.021 0.000 0.976 296 D CA 0.414 54.403 54.000 -0.019 0.000 0.884 296 D CB 0.235 41.028 40.800 -0.011 0.000 0.915 296 D HN 0.237 nan 8.370 nan 0.000 0.526 297 L N 0.297 121.498 121.223 -0.038 0.000 2.418 297 L HA 0.040 4.380 4.340 0.000 0.000 0.218 297 L C 0.519 177.378 176.870 -0.019 0.000 1.125 297 L CA 0.047 54.871 54.840 -0.028 0.000 0.835 297 L CB 0.219 42.254 42.059 -0.039 0.000 0.953 297 L HN -0.209 nan 8.230 nan 0.000 0.454 298 V N 1.231 121.123 119.914 -0.037 0.000 2.493 298 V HA 0.193 4.313 4.120 0.000 0.000 0.292 298 V C 1.271 177.367 176.094 0.003 0.000 1.016 298 V CA 1.266 63.551 62.300 -0.024 0.000 1.097 298 V CB 0.133 31.933 31.823 -0.038 0.000 0.947 298 V HN 0.642 nan 8.190 nan 0.000 0.479 299 G N 4.337 113.149 108.800 0.020 0.000 2.376 299 G HA2 -0.188 3.772 3.960 0.000 0.000 0.208 299 G HA3 -0.188 3.772 3.960 0.000 0.000 0.208 299 G C 0.440 175.363 174.900 0.040 0.000 1.032 299 G CA 0.004 45.122 45.100 0.030 0.000 0.641 299 G HN 0.580 nan 8.290 nan 0.000 0.503 300 K N 1.067 121.489 120.400 0.036 0.000 2.143 300 K HA 0.543 4.863 4.320 0.000 0.000 0.239 300 K C 0.614 177.251 176.600 0.062 0.000 1.048 300 K CA 0.683 56.997 56.287 0.044 0.000 0.867 300 K CB 0.565 33.084 32.500 0.033 0.000 1.088 300 K HN 0.689 nan 8.250 nan 0.000 0.510 301 S N -0.536 115.208 115.700 0.073 0.000 2.618 301 S HA 0.587 5.057 4.470 0.000 0.000 0.277 301 S C -0.881 173.779 174.600 0.099 0.000 1.138 301 S CA -1.113 57.142 58.200 0.092 0.000 0.844 301 S CB 0.936 64.199 63.200 0.105 0.000 1.127 301 S HN 0.380 nan 8.310 nan 0.000 0.474 302 L N 1.467 122.744 121.223 0.090 0.000 2.322 302 L HA 0.730 5.070 4.340 0.000 0.000 0.269 302 L C -1.167 175.802 176.870 0.165 0.000 1.012 302 L CA -1.176 53.700 54.840 0.060 0.000 0.815 302 L CB 1.619 43.653 42.059 -0.042 0.000 1.295 302 L HN 0.945 nan 8.230 nan 0.000 0.438 303 Y N -0.585 119.761 120.300 0.078 0.000 2.492 303 Y HA 0.779 5.329 4.550 0.000 0.000 0.346 303 Y C -1.179 174.741 175.900 0.033 0.000 0.997 303 Y CA -1.284 56.847 58.100 0.052 0.000 1.025 303 Y CB 1.183 39.657 38.460 0.023 0.000 1.263 303 Y HN 0.139 nan 8.280 nan 0.000 0.454 304 V N 2.568 122.527 119.914 0.076 0.000 2.483 304 V HA 0.577 4.697 4.120 0.000 0.000 0.295 304 V C -0.393 175.662 176.094 -0.064 0.000 1.035 304 V CA -0.647 61.555 62.300 -0.164 0.000 0.896 304 V CB 1.592 33.310 31.823 -0.175 0.000 0.986 304 V HN 0.853 nan 8.190 nan 0.000 0.447 305 S N 3.258 118.862 115.700 -0.160 0.000 2.718 305 S HA 0.750 5.220 4.470 0.000 0.000 0.294 305 S C -0.195 174.351 174.600 -0.091 0.000 1.157 305 S CA -0.168 58.000 58.200 -0.053 0.000 1.121 305 S CB 0.553 63.767 63.200 0.024 0.000 1.015 305 S HN 1.104 nan 8.310 nan 0.000 0.479 306 A N 3.356 126.141 122.820 -0.059 0.000 2.269 306 A HA 0.876 5.196 4.320 0.000 0.000 0.319 306 A C -0.124 177.475 177.584 0.025 0.000 1.110 306 A CA -0.576 51.442 52.037 -0.032 0.000 0.847 306 A CB 1.068 20.047 19.000 -0.036 0.000 1.161 306 A HN 0.662 nan 8.150 nan 0.000 0.497 307 T N 0.943 115.544 114.554 0.079 0.000 3.566 307 T HA 0.383 4.733 4.350 0.000 0.000 0.330 307 T C -0.933 173.881 174.700 0.190 0.000 0.877 307 T CA -0.317 61.858 62.100 0.127 0.000 1.030 307 T CB 0.736 69.681 68.868 0.128 0.000 1.033 307 T HN 0.511 nan 8.240 nan 0.000 0.463 308 V N 4.792 124.808 119.914 0.170 0.000 2.567 308 V HA 0.605 4.725 4.120 0.000 0.000 0.289 308 V C -0.019 176.206 176.094 0.217 0.000 1.049 308 V CA -0.655 61.737 62.300 0.153 0.000 0.969 308 V CB 1.435 33.339 31.823 0.135 0.000 0.995 308 V HN 0.762 nan 8.190 nan 0.000 0.471 309 I N 4.765 125.394 120.570 0.099 0.000 2.500 309 I HA 0.343 4.513 4.170 0.000 0.000 0.286 309 I C -0.290 175.779 176.117 -0.081 0.000 1.063 309 I CA -0.462 60.898 61.300 0.099 0.000 1.062 309 I CB 1.834 39.928 38.000 0.158 0.000 1.223 309 I HN 0.415 nan 8.210 nan 0.000 0.435 310 L N 4.888 126.079 121.223 -0.053 0.000 2.492 310 L HA 0.033 4.373 4.340 0.000 0.000 0.280 310 L C 1.189 177.995 176.870 -0.106 0.000 1.240 310 L CA 0.149 54.912 54.840 -0.129 0.000 0.831 310 L CB 0.183 42.266 42.059 0.040 0.000 1.100 310 L HN 0.636 nan 8.230 nan 0.000 0.505 311 H N -0.899 118.190 119.070 0.033 0.000 2.546 311 H HA -0.089 4.468 4.556 0.000 0.000 0.277 311 H C 1.991 177.352 175.328 0.055 0.000 1.004 311 H CA 1.035 57.106 56.048 0.039 0.000 1.231 311 H CB 0.200 29.977 29.762 0.025 0.000 1.382 311 H HN 0.697 nan 8.280 nan 0.000 0.580 312 S N -0.895 114.903 115.700 0.162 0.000 2.528 312 S HA 0.081 4.551 4.470 0.000 0.000 0.219 312 S C 1.906 176.570 174.600 0.107 0.000 0.985 312 S CA 0.245 58.523 58.200 0.130 0.000 0.914 312 S CB -0.017 63.262 63.200 0.132 0.000 0.776 312 S HN 0.562 nan 8.310 nan 0.000 0.526 313 G N 0.912 109.773 108.800 0.102 0.000 2.249 313 G HA2 -0.282 3.678 3.960 0.000 0.000 0.273 313 G HA3 -0.282 3.678 3.960 0.000 0.000 0.273 313 G C 0.674 175.628 174.900 0.091 0.000 1.036 313 G CA 0.581 45.734 45.100 0.089 0.000 0.824 313 G HN 0.599 nan 8.290 nan 0.000 0.504 314 S N -1.033 114.736 115.700 0.115 0.000 2.475 314 S HA 0.241 4.711 4.470 0.000 0.000 0.224 314 S C 0.672 175.345 174.600 0.122 0.000 1.042 314 S CA 0.858 59.126 58.200 0.113 0.000 0.935 314 S CB 0.469 63.746 63.200 0.128 0.000 0.801 314 S HN 0.661 nan 8.310 nan 0.000 0.509 315 D N -0.187 120.313 120.400 0.167 0.000 2.547 315 D HA 0.587 5.227 4.640 0.000 0.000 0.231 315 D C -1.136 175.264 176.300 0.167 0.000 1.099 315 D CA -0.466 53.627 54.000 0.155 0.000 0.901 315 D CB 1.588 42.514 40.800 0.210 0.000 1.478 315 D HN 0.026 nan 8.370 nan 0.000 0.471 316 M N 2.905 122.539 119.600 0.057 0.000 2.234 316 M HA 0.417 4.897 4.480 0.000 0.000 0.267 316 M C -2.157 174.105 176.300 -0.064 0.000 1.022 316 M CA -0.555 54.782 55.300 0.061 0.000 0.993 316 M CB 1.419 34.045 32.600 0.044 0.000 1.836 316 M HN 0.134 nan 8.290 nan 0.000 0.479 317 V N 4.399 124.262 119.914 -0.086 0.000 2.581 317 V HA 0.519 4.639 4.120 0.000 0.000 0.303 317 V C -0.597 175.472 176.094 -0.042 0.000 1.041 317 V CA -0.549 61.642 62.300 -0.182 0.000 0.907 317 V CB 2.073 33.627 31.823 -0.449 0.000 0.994 317 V HN 0.832 nan 8.190 nan 0.000 0.442 318 Q N 2.372 122.140 119.800 -0.054 0.000 2.333 318 Q HA 0.803 5.143 4.340 0.000 0.000 0.267 318 Q C -0.458 175.528 176.000 -0.024 0.000 1.012 318 Q CA -0.434 55.356 55.803 -0.022 0.000 0.824 318 Q CB 2.466 31.189 28.738 -0.025 0.000 1.290 318 Q HN 0.920 nan 8.270 nan 0.000 0.449 319 A N 2.359 125.174 122.820 -0.008 0.000 2.387 319 A HA 0.843 5.163 4.320 0.000 0.000 0.298 319 A C -1.192 176.390 177.584 -0.003 0.000 1.165 319 A CA -0.499 51.534 52.037 -0.008 0.000 0.814 319 A CB 2.050 21.050 19.000 -0.001 0.000 1.357 319 A HN 0.748 nan 8.150 nan 0.000 0.443 320 E N -0.739 119.463 120.200 0.004 0.000 2.422 320 E HA 0.479 4.829 4.350 0.000 0.000 0.289 320 E C -1.713 174.906 176.600 0.030 0.000 0.985 320 E CA -0.622 55.790 56.400 0.020 0.000 0.812 320 E CB 1.545 31.258 29.700 0.022 0.000 1.226 320 E HN 0.555 nan 8.360 nan 0.000 0.419 321 R N 2.503 123.034 120.500 0.051 0.000 2.407 321 R HA 0.371 4.711 4.340 0.000 0.000 0.298 321 R C -1.362 175.004 176.300 0.110 0.000 1.166 321 R CA -0.241 55.897 56.100 0.063 0.000 1.006 321 R CB 0.893 31.224 30.300 0.051 0.000 1.145 321 R HN 0.503 nan 8.270 nan 0.000 0.538 322 S N 1.757 117.519 115.700 0.102 0.000 2.745 322 S HA 0.721 5.191 4.470 0.000 0.000 0.292 322 S C 0.469 175.134 174.600 0.109 0.000 1.133 322 S CA -0.256 58.026 58.200 0.136 0.000 0.998 322 S CB 1.527 64.760 63.200 0.054 0.000 1.087 322 S HN 1.214 nan 8.310 nan 0.000 0.551 323 G N 0.366 109.238 108.800 0.120 0.000 2.353 323 G HA2 -0.175 3.785 3.960 0.000 0.000 0.294 323 G HA3 -0.175 3.785 3.960 0.000 0.000 0.294 323 G C -0.342 174.623 174.900 0.109 0.000 1.077 323 G CA -0.020 45.139 45.100 0.099 0.000 1.098 323 G HN 0.824 nan 8.290 nan 0.000 0.511 324 I N 1.261 121.905 120.570 0.124 0.000 2.307 324 I HA 0.209 4.380 4.170 0.000 0.000 0.287 324 I C -1.968 174.236 176.117 0.145 0.000 1.054 324 I CA -2.292 59.087 61.300 0.131 0.000 1.218 324 I CB 1.322 39.392 38.000 0.118 0.000 1.398 324 I HN -0.062 nan 8.210 nan 0.000 0.475 325 P HA 0.061 nan 4.420 nan 0.000 0.262 325 P C -0.112 177.308 177.300 0.202 0.000 1.199 325 P CA 0.308 63.498 63.100 0.149 0.000 0.763 325 P CB 0.297 32.073 31.700 0.127 0.000 0.790 326 I N 4.255 124.921 120.570 0.161 0.000 2.234 326 I HA 0.091 4.261 4.170 0.000 0.000 0.287 326 I C 0.740 176.918 176.117 0.101 0.000 1.131 326 I CA -0.757 60.658 61.300 0.193 0.000 1.335 326 I CB -0.169 37.929 38.000 0.164 0.000 1.511 326 I HN 0.112 nan 8.210 nan 0.000 0.588 327 V N 0.401 120.374 119.914 0.099 0.000 2.997 327 V HA 0.402 4.522 4.120 0.000 0.000 0.311 327 V C 1.298 177.410 176.094 0.031 0.000 1.066 327 V CA -0.047 62.270 62.300 0.027 0.000 1.039 327 V CB 1.297 33.101 31.823 -0.032 0.000 1.081 327 V HN 0.628 nan 8.190 nan 0.000 0.467 328 T N -1.599 112.974 114.554 0.033 0.000 3.035 328 T HA 0.114 4.464 4.350 0.000 0.000 0.259 328 T C 0.964 175.809 174.700 0.242 0.000 1.078 328 T CA 0.917 63.086 62.100 0.115 0.000 1.132 328 T CB -0.005 68.928 68.868 0.108 0.000 0.900 328 T HN 0.895 nan 8.240 nan 0.000 0.480 329 S N 1.935 117.686 115.700 0.086 0.000 2.478 329 S HA 0.512 4.983 4.470 0.000 0.000 0.312 329 S C -2.447 172.062 174.600 -0.152 0.000 1.094 329 S CA -1.713 56.509 58.200 0.037 0.000 1.081 329 S CB 1.629 64.857 63.200 0.046 0.000 1.007 329 S HN -0.023 nan 8.310 nan 0.000 0.475 330 P HA 0.119 nan 4.420 nan 0.000 0.239 330 P C -0.997 175.753 177.300 -0.917 0.000 1.184 330 P CA 0.870 63.476 63.100 -0.824 0.000 0.760 330 P CB -0.170 31.160 31.700 -0.615 0.000 0.884 331 Y N -1.921 118.238 120.300 -0.237 0.000 2.644 331 Y HA 0.541 5.091 4.550 0.000 0.000 0.338 331 Y C 0.447 176.260 175.900 -0.145 0.000 1.119 331 Y CA -0.945 57.051 58.100 -0.173 0.000 1.060 331 Y CB 1.534 39.912 38.460 -0.136 0.000 1.294 331 Y HN -0.341 nan 8.280 nan 0.000 0.472 332 Q N 0.918 120.742 119.800 0.040 0.000 2.495 332 Q HA 0.736 5.077 4.340 0.000 0.000 0.287 332 Q C -1.731 174.186 176.000 -0.139 0.000 1.078 332 Q CA -0.969 54.794 55.803 -0.066 0.000 0.793 332 Q CB 3.582 32.303 28.738 -0.027 0.000 1.459 332 Q HN 0.520 nan 8.270 nan 0.000 0.422 333 I N 1.147 121.528 120.570 -0.314 0.000 2.499 333 I HA 0.388 4.558 4.170 0.000 0.000 0.288 333 I C -1.356 174.424 176.117 -0.562 0.000 1.048 333 I CA -0.645 60.442 61.300 -0.355 0.000 1.062 333 I CB 1.681 39.489 38.000 -0.321 0.000 1.238 333 I HN 0.570 nan 8.210 nan 0.000 0.426 334 H N 5.239 124.207 119.070 -0.171 0.000 2.609 334 H HA 0.379 4.935 4.556 0.000 0.000 0.344 334 H C -0.751 174.487 175.328 -0.151 0.000 1.040 334 H CA -0.406 55.613 56.048 -0.048 0.000 1.216 334 H CB 1.527 31.410 29.762 0.201 0.000 1.529 334 H HN 0.420 nan 8.280 nan 0.000 0.519 335 F N 1.099 121.173 119.950 0.207 0.000 2.798 335 F HA 0.055 4.583 4.527 0.000 0.000 0.291 335 F C 1.844 177.714 175.800 0.118 0.000 1.174 335 F CA -0.116 57.973 58.000 0.149 0.000 1.392 335 F CB -0.077 38.990 39.000 0.111 0.000 0.966 335 F HN 0.599 nan 8.300 nan 0.000 0.509 336 T N -3.329 111.356 114.554 0.219 0.000 2.995 336 T HA -0.109 4.241 4.350 0.000 0.000 0.269 336 T C 1.653 176.362 174.700 0.014 0.000 1.091 336 T CA 0.954 63.107 62.100 0.089 0.000 1.128 336 T CB -0.099 68.772 68.868 0.005 0.000 0.891 336 T HN 0.286 nan 8.240 nan 0.000 0.492 337 K N 0.792 121.224 120.400 0.052 0.000 2.367 337 K HA 0.159 4.480 4.320 0.000 0.000 0.194 337 K C 0.116 176.811 176.600 0.158 0.000 1.027 337 K CA 0.122 56.462 56.287 0.088 0.000 1.075 337 K CB 0.511 33.098 32.500 0.146 0.000 0.845 337 K HN 0.249 nan 8.250 nan 0.000 0.529 338 T N 3.564 118.228 114.554 0.184 0.000 2.806 338 T HA 0.222 4.572 4.350 0.000 0.000 0.290 338 T C -2.533 172.270 174.700 0.172 0.000 0.966 338 T CA -1.671 60.538 62.100 0.183 0.000 1.060 338 T CB 1.409 70.455 68.868 0.297 0.000 0.927 338 T HN -0.122 nan 8.240 nan 0.000 0.485 339 P HA 0.079 nan 4.420 nan 0.000 0.269 339 P C 0.393 177.857 177.300 0.272 0.000 1.211 339 P CA -0.221 63.002 63.100 0.204 0.000 0.781 339 P CB 0.486 32.308 31.700 0.203 0.000 0.877 340 K N 1.106 121.630 120.400 0.207 0.000 2.498 340 K HA 0.223 4.543 4.320 0.000 0.000 0.207 340 K C -0.626 175.804 176.600 -0.284 0.000 1.033 340 K CA 0.007 56.279 56.287 -0.024 0.000 1.138 340 K CB 0.047 32.447 32.500 -0.166 0.000 0.860 340 K HN 0.501 nan 8.250 nan 0.000 0.490 341 Y N 0.169 120.643 120.300 0.289 0.000 2.470 341 Y HA 0.358 4.908 4.550 0.000 0.000 0.341 341 Y C -0.277 175.856 175.900 0.387 0.000 1.021 341 Y CA -1.727 56.523 58.100 0.250 0.000 1.025 341 Y CB 1.442 40.009 38.460 0.177 0.000 1.266 341 Y HN -0.007 nan 8.280 nan 0.000 0.448 342 F N -0.505 119.601 119.950 0.259 0.000 2.611 342 F HA 0.926 5.453 4.527 0.000 0.000 0.324 342 F C -1.482 174.405 175.800 0.145 0.000 1.061 342 F CA -1.686 56.429 58.000 0.193 0.000 0.954 342 F CB 1.397 40.245 39.000 -0.254 0.000 1.301 342 F HN 0.115 nan 8.300 nan 0.000 0.482 343 K N 2.186 122.677 120.400 0.152 0.000 2.265 343 K HA 0.462 4.782 4.320 0.000 0.000 0.267 343 K C -2.849 173.651 176.600 -0.167 0.000 0.994 343 K CA -2.089 54.069 56.287 -0.214 0.000 0.860 343 K CB 1.157 33.522 32.500 -0.224 0.000 1.099 343 K HN 0.278 nan 8.250 nan 0.000 0.448 344 P HA -0.018 nan 4.420 nan 0.000 0.260 344 P C 0.743 177.972 177.300 -0.119 0.000 1.185 344 P CA 0.979 64.048 63.100 -0.051 0.000 0.763 344 P CB 0.678 32.344 31.700 -0.057 0.000 0.776 345 G N 2.841 111.629 108.800 -0.020 0.000 2.358 345 G HA2 -0.260 3.700 3.960 0.000 0.000 0.224 345 G HA3 -0.260 3.700 3.960 0.000 0.000 0.224 345 G C 0.232 175.087 174.900 -0.075 0.000 1.073 345 G CA -0.180 44.889 45.100 -0.051 0.000 0.635 345 G HN 0.460 nan 8.290 nan 0.000 0.509 346 M N 2.017 121.563 119.600 -0.089 0.000 2.228 346 M HA 0.398 4.878 4.480 0.000 0.000 0.326 346 M C -2.256 173.975 176.300 -0.115 0.000 1.122 346 M CA -1.535 53.699 55.300 -0.109 0.000 1.161 346 M CB 0.327 32.851 32.600 -0.126 0.000 1.437 346 M HN -0.037 nan 8.290 nan 0.000 0.465 347 P HA 0.005 nan 4.420 nan 0.000 0.266 347 P C -1.306 175.907 177.300 -0.145 0.000 1.195 347 P CA 0.212 63.215 63.100 -0.162 0.000 0.768 347 P CB 0.185 31.762 31.700 -0.204 0.000 0.838 348 F N 3.293 123.163 119.950 -0.134 0.000 2.403 348 F HA 0.308 4.835 4.527 0.000 0.000 0.355 348 F C -0.391 175.419 175.800 0.016 0.000 1.119 348 F CA -0.807 57.178 58.000 -0.026 0.000 1.007 348 F CB 0.640 39.635 39.000 -0.009 0.000 1.194 348 F HN 0.152 nan 8.300 nan 0.000 0.443 349 D N 5.382 125.528 120.400 -0.423 0.000 2.313 349 D HA 0.456 5.096 4.640 0.000 0.000 0.247 349 D C -0.870 175.133 176.300 -0.494 0.000 1.094 349 D CA 0.135 53.947 54.000 -0.313 0.000 0.925 349 D CB 1.715 42.436 40.800 -0.131 0.000 1.188 349 D HN 0.344 nan 8.370 nan 0.000 0.430 350 L N 1.357 122.466 121.223 -0.189 0.000 2.385 350 L HA 0.355 4.695 4.340 0.000 0.000 0.273 350 L C -0.045 176.843 176.870 0.030 0.000 0.990 350 L CA -0.399 54.415 54.840 -0.044 0.000 0.821 350 L CB 1.709 43.850 42.059 0.136 0.000 1.279 350 L HN 0.177 nan 8.230 nan 0.000 0.412 351 M N 3.669 123.319 119.600 0.082 0.000 3.266 351 M HA 0.267 4.747 4.480 0.000 0.000 0.260 351 M C -0.585 175.795 176.300 0.133 0.000 1.319 351 M CA -0.440 54.916 55.300 0.092 0.000 1.412 351 M CB 0.424 33.083 32.600 0.099 0.000 1.113 351 M HN 0.191 nan 8.290 nan 0.000 0.588 352 V N 2.386 122.357 119.914 0.095 0.000 2.599 352 V HA -0.046 4.074 4.120 0.000 0.000 0.300 352 V C -0.134 176.032 176.094 0.119 0.000 1.034 352 V CA 0.384 62.695 62.300 0.018 0.000 1.115 352 V CB 0.129 31.936 31.823 -0.028 0.000 0.934 352 V HN 0.482 nan 8.190 nan 0.000 0.485 353 F N 5.806 125.698 119.950 -0.096 0.000 2.443 353 F HA 0.524 5.051 4.527 0.000 0.000 0.369 353 F C -0.158 175.656 175.800 0.023 0.000 1.090 353 F CA -0.828 57.170 58.000 -0.003 0.000 1.129 353 F CB 1.059 40.090 39.000 0.052 0.000 1.367 353 F HN 0.239 nan 8.300 nan 0.000 0.465 354 V N 5.038 124.802 119.914 -0.249 0.000 2.432 354 V HA 0.423 4.543 4.120 0.000 0.000 0.271 354 V C 0.386 176.290 176.094 -0.317 0.000 1.046 354 V CA 0.032 62.201 62.300 -0.218 0.000 0.945 354 V CB 0.984 32.728 31.823 -0.132 0.000 0.992 354 V HN 0.800 nan 8.190 nan 0.000 0.471 355 T N 2.018 116.443 114.554 -0.215 0.000 2.883 355 T HA 0.594 4.944 4.350 0.000 0.000 0.284 355 T C -0.336 174.325 174.700 -0.065 0.000 1.041 355 T CA -1.015 60.967 62.100 -0.196 0.000 1.007 355 T CB 1.767 70.502 68.868 -0.222 0.000 1.220 355 T HN 0.408 nan 8.240 nan 0.000 0.552 356 N N 0.760 119.412 118.700 -0.081 0.000 2.485 356 N HA 0.471 5.211 4.740 0.000 0.000 0.280 356 N C -2.038 173.414 175.510 -0.097 0.000 1.205 356 N CA -2.308 50.660 53.050 -0.136 0.000 0.959 356 N CB 0.533 38.969 38.487 -0.085 0.000 1.206 356 N HN 0.327 nan 8.380 nan 0.000 0.545 357 P HA -0.132 nan 4.420 nan 0.000 0.218 357 P C 0.362 177.678 177.300 0.027 0.000 1.146 357 P CA 1.240 64.296 63.100 -0.073 0.000 0.813 357 P CB 0.197 31.840 31.700 -0.096 0.000 0.778 358 D N -2.471 117.958 120.400 0.047 0.000 2.301 358 D HA 0.063 4.703 4.640 0.000 0.000 0.206 358 D C 1.560 177.890 176.300 0.050 0.000 0.979 358 D CA 1.264 55.302 54.000 0.064 0.000 0.874 358 D CB -0.564 40.283 40.800 0.078 0.000 0.968 358 D HN 0.247 nan 8.370 nan 0.000 0.510 359 G N 0.164 108.984 108.800 0.034 0.000 2.367 359 G HA2 -0.182 3.778 3.960 0.000 0.000 0.181 359 G HA3 -0.182 3.778 3.960 0.000 0.000 0.181 359 G C 0.261 175.175 174.900 0.023 0.000 1.000 359 G CA 0.177 45.297 45.100 0.034 0.000 0.693 359 G HN 0.700 nan 8.290 nan 0.000 0.480 360 S N 1.459 117.173 115.700 0.022 0.000 2.564 360 S HA 0.589 5.059 4.470 0.000 0.000 0.278 360 S C -2.122 172.469 174.600 -0.014 0.000 1.333 360 S CA -0.910 57.305 58.200 0.024 0.000 1.048 360 S CB 1.510 64.731 63.200 0.036 0.000 0.900 360 S HN 0.160 nan 8.310 nan 0.000 0.505 361 P HA 0.227 nan 4.420 nan 0.000 0.267 361 P C -0.912 176.394 177.300 0.010 0.000 1.200 361 P CA -0.008 63.059 63.100 -0.055 0.000 0.772 361 P CB 0.269 31.988 31.700 0.031 0.000 0.855 362 A N 3.199 126.024 122.820 0.009 0.000 2.260 362 A HA 0.349 4.669 4.320 0.000 0.000 0.314 362 A C -1.130 176.533 177.584 0.132 0.000 1.257 362 A CA -0.481 51.628 52.037 0.120 0.000 0.871 362 A CB -0.216 18.921 19.000 0.228 0.000 1.166 362 A HN 0.521 nan 8.150 nan 0.000 0.522 363 Y N 3.131 123.461 120.300 0.050 0.000 2.359 363 Y HA 0.420 4.970 4.550 0.000 0.000 0.334 363 Y C 0.774 176.688 175.900 0.023 0.000 1.058 363 Y CA 0.242 58.359 58.100 0.028 0.000 1.244 363 Y CB 0.292 38.769 38.460 0.028 0.000 1.187 363 Y HN 0.849 nan 8.280 nan 0.000 0.510 364 R N 3.212 123.375 120.500 -0.561 0.000 2.717 364 R HA -0.085 4.256 4.340 0.000 0.000 0.298 364 R C -1.897 174.275 176.300 -0.214 0.000 0.971 364 R CA 0.496 56.336 56.100 -0.434 0.000 0.773 364 R CB -1.666 28.360 30.300 -0.457 0.000 2.073 364 R HN 0.418 nan 8.270 nan 0.000 0.494 365 V N 3.539 123.324 119.914 -0.215 0.000 2.445 365 V HA 0.248 4.368 4.120 0.000 0.000 0.283 365 V C -1.999 173.961 176.094 -0.224 0.000 1.014 365 V CA -1.847 60.298 62.300 -0.259 0.000 0.852 365 V CB 2.130 33.743 31.823 -0.350 0.000 1.021 365 V HN 0.303 nan 8.190 nan 0.000 0.435 366 P HA 0.115 nan 4.420 nan 0.000 0.262 366 P C -0.578 176.636 177.300 -0.144 0.000 1.182 366 P CA 0.474 63.487 63.100 -0.146 0.000 0.761 366 P CB 0.555 32.180 31.700 -0.125 0.000 0.795 367 V N 0.489 120.340 119.914 -0.105 0.000 2.841 367 V HA 0.975 5.095 4.120 0.000 0.000 0.310 367 V C -0.702 175.364 176.094 -0.046 0.000 1.090 367 V CA -1.121 61.129 62.300 -0.082 0.000 0.930 367 V CB 1.849 33.625 31.823 -0.079 0.000 1.014 367 V HN 0.651 nan 8.190 nan 0.000 0.425 368 A N 2.789 125.593 122.820 -0.027 0.000 2.567 368 A HA 0.963 5.283 4.320 0.000 0.000 0.289 368 A C -1.108 176.486 177.584 0.017 0.000 1.177 368 A CA -0.640 51.392 52.037 -0.008 0.000 0.694 368 A CB 1.833 20.822 19.000 -0.018 0.000 1.292 368 A HN 1.528 nan 8.150 nan 0.000 0.425 369 V N 1.382 121.308 119.914 0.021 0.000 2.547 369 V HA 0.250 4.370 4.120 0.000 0.000 0.299 369 V C 1.059 177.161 176.094 0.013 0.000 1.040 369 V CA -0.558 61.761 62.300 0.031 0.000 0.913 369 V CB 1.587 33.431 31.823 0.035 0.000 0.992 369 V HN 0.942 nan 8.190 nan 0.000 0.449 370 Q N 2.535 122.343 119.800 0.013 0.000 2.197 370 Q HA -0.179 4.161 4.340 0.000 0.000 0.207 370 Q C 2.042 178.039 176.000 -0.004 0.000 0.984 370 Q CA 1.953 57.757 55.803 0.001 0.000 0.869 370 Q CB -0.299 28.439 28.738 -0.001 0.000 0.906 370 Q HN 1.037 nan 8.270 nan 0.000 0.426 371 G N 0.456 109.253 108.800 -0.005 0.000 2.464 371 G HA2 -0.172 3.788 3.960 0.000 0.000 0.214 371 G HA3 -0.172 3.788 3.960 0.000 0.000 0.214 371 G C 0.427 175.324 174.900 -0.005 0.000 1.218 371 G CA 0.410 45.506 45.100 -0.007 0.000 0.794 371 G HN 0.294 nan 8.290 nan 0.000 0.542 372 E N 0.765 120.963 120.200 -0.003 0.000 2.199 372 E HA 0.385 4.735 4.350 0.000 0.000 0.269 372 E C -0.917 175.678 176.600 -0.007 0.000 0.899 372 E CA -0.972 55.425 56.400 -0.005 0.000 0.772 372 E CB 1.481 31.177 29.700 -0.006 0.000 1.155 372 E HN 0.324 nan 8.360 nan 0.000 0.408 373 D N 1.827 122.221 120.400 -0.010 0.000 2.466 373 D HA 0.301 4.941 4.640 0.000 0.000 0.262 373 D C 0.097 176.388 176.300 -0.015 0.000 1.177 373 D CA 0.125 54.117 54.000 -0.013 0.000 1.035 373 D CB 0.540 41.331 40.800 -0.014 0.000 1.105 373 D HN 0.542 nan 8.370 nan 0.000 0.551 374 T N -1.755 112.788 114.554 -0.018 0.000 11.175 374 T HA -0.188 4.162 4.350 0.000 0.000 0.406 374 T C 0.771 175.458 174.700 -0.021 0.000 1.540 374 T CA 1.454 63.542 62.100 -0.020 0.000 2.506 374 T CB -1.468 67.389 68.868 -0.018 0.000 2.817 374 T HN 0.460 nan 8.240 nan 0.000 0.982 375 V N 3.724 123.627 119.914 -0.018 0.000 2.266 375 V HA 0.211 4.331 4.120 0.000 0.000 0.240 375 V C 0.607 176.689 176.094 -0.019 0.000 1.225 375 V CA 0.764 63.053 62.300 -0.017 0.000 1.237 375 V CB -0.360 31.456 31.823 -0.012 0.000 1.343 375 V HN 0.448 nan 8.190 nan 0.000 0.496 376 Q N 2.114 121.898 119.800 -0.027 0.000 2.495 376 Q HA 0.855 5.195 4.340 0.000 0.000 0.283 376 Q C -0.488 175.488 176.000 -0.041 0.000 1.097 376 Q CA -0.804 54.978 55.803 -0.035 0.000 0.836 376 Q CB 2.556 31.268 28.738 -0.043 0.000 1.426 376 Q HN 0.671 nan 8.270 nan 0.000 0.459 377 S N -0.031 115.638 115.700 -0.052 0.000 2.584 377 S HA 0.338 4.808 4.470 0.000 0.000 0.282 377 S C -1.351 173.200 174.600 -0.082 0.000 1.138 377 S CA -0.814 57.350 58.200 -0.059 0.000 0.987 377 S CB 0.304 63.476 63.200 -0.047 0.000 1.137 377 S HN 0.352 nan 8.310 nan 0.000 0.457 378 L N 3.160 124.324 121.223 -0.098 0.000 2.462 378 L HA 0.322 4.662 4.340 0.000 0.000 0.272 378 L C 1.096 177.876 176.870 -0.151 0.000 1.166 378 L CA 0.761 55.519 54.840 -0.137 0.000 0.880 378 L CB -0.013 41.953 42.059 -0.154 0.000 1.142 378 L HN 0.796 nan 8.230 nan 0.000 0.473 379 T N 3.497 117.953 114.554 -0.164 0.000 2.934 379 T HA 0.061 4.411 4.350 0.000 0.000 0.306 379 T C 0.506 175.093 174.700 -0.188 0.000 1.042 379 T CA -0.190 61.825 62.100 -0.141 0.000 1.145 379 T CB 0.232 69.023 68.868 -0.127 0.000 0.982 379 T HN 0.532 nan 8.240 nan 0.000 0.544 380 Q N 1.139 120.879 119.800 -0.100 0.000 2.247 380 Q HA 0.361 4.701 4.340 0.000 0.000 0.184 380 Q C 2.024 178.054 176.000 0.051 0.000 1.067 380 Q CA -0.417 55.348 55.803 -0.063 0.000 1.115 380 Q CB 0.130 28.868 28.738 0.001 0.000 1.147 380 Q HN 0.828 nan 8.270 nan 0.000 0.599 381 G N 0.809 109.742 108.800 0.220 0.000 2.422 381 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 381 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 381 G C 0.825 175.840 174.900 0.192 0.000 1.140 381 G CA 1.070 46.386 45.100 0.360 0.000 0.775 381 G HN 0.793 nan 8.290 nan 0.000 0.545 382 D N 0.019 120.500 120.400 0.136 0.000 2.348 382 D HA 0.121 4.761 4.640 0.000 0.000 0.216 382 D C 1.692 178.097 176.300 0.174 0.000 0.970 382 D CA 0.882 54.966 54.000 0.139 0.000 0.889 382 D CB -0.700 40.169 40.800 0.115 0.000 0.912 382 D HN 0.584 nan 8.370 nan 0.000 0.524 383 G N -0.628 108.239 108.800 0.111 0.000 2.142 383 G HA2 -0.178 3.782 3.960 0.000 0.000 0.225 383 G HA3 -0.178 3.782 3.960 0.000 0.000 0.225 383 G C -0.175 174.773 174.900 0.080 0.000 1.015 383 G CA 0.127 45.236 45.100 0.014 0.000 0.716 383 G HN 0.400 nan 8.290 nan 0.000 0.508 384 V N 0.080 120.072 119.914 0.131 0.000 2.540 384 V HA 0.883 5.003 4.120 0.000 0.000 0.302 384 V C 0.523 176.646 176.094 0.047 0.000 1.035 384 V CA -0.235 62.158 62.300 0.154 0.000 0.873 384 V CB 1.665 33.584 31.823 0.159 0.000 0.992 384 V HN 1.180 nan 8.190 nan 0.000 0.428 385 A N 3.802 126.641 122.820 0.033 0.000 2.322 385 A HA 0.941 5.261 4.320 0.000 0.000 0.327 385 A C -0.580 177.003 177.584 -0.001 0.000 1.134 385 A CA -0.772 51.260 52.037 -0.008 0.000 0.831 385 A CB 1.590 20.572 19.000 -0.030 0.000 1.288 385 A HN 0.677 nan 8.150 nan 0.000 0.472 386 K N 1.380 121.769 120.400 -0.018 0.000 2.521 386 K HA 0.633 4.953 4.320 0.000 0.000 0.248 386 K C -1.560 175.030 176.600 -0.018 0.000 0.978 386 K CA 0.041 56.316 56.287 -0.021 0.000 0.947 386 K CB -0.007 32.472 32.500 -0.035 0.000 1.165 386 K HN 0.606 nan 8.250 nan 0.000 0.445 387 L N 2.015 123.235 121.223 -0.005 0.000 2.313 387 L HA 0.672 5.012 4.340 0.000 0.000 0.268 387 L C -0.570 176.293 176.870 -0.012 0.000 1.010 387 L CA -1.064 53.779 54.840 0.004 0.000 0.814 387 L CB 2.218 44.302 42.059 0.041 0.000 1.304 387 L HN 0.845 nan 8.230 nan 0.000 0.441 388 S N 1.304 117.002 115.700 -0.003 0.000 2.545 388 S HA 0.500 4.970 4.470 0.000 0.000 0.259 388 S C -0.909 173.696 174.600 0.008 0.000 1.092 388 S CA -0.849 57.345 58.200 -0.011 0.000 1.054 388 S CB 0.591 63.772 63.200 -0.032 0.000 1.146 388 S HN 0.565 nan 8.310 nan 0.000 0.447 389 I N 0.232 120.831 120.570 0.047 0.000 2.607 389 I HA 0.699 4.869 4.170 0.000 0.000 0.305 389 I C -0.208 175.913 176.117 0.008 0.000 0.995 389 I CA -0.893 60.425 61.300 0.030 0.000 1.148 389 I CB 1.407 39.433 38.000 0.044 0.000 1.323 389 I HN 0.532 nan 8.210 nan 0.000 0.461 390 N N 2.570 121.244 118.700 -0.043 0.000 2.514 390 N HA 0.360 5.100 4.740 0.000 0.000 0.277 390 N C -0.911 174.516 175.510 -0.138 0.000 1.126 390 N CA 0.023 53.016 53.050 -0.096 0.000 0.978 390 N CB 1.181 39.589 38.487 -0.131 0.000 1.106 390 N HN 0.763 nan 8.380 nan 0.000 0.461 391 T N 2.606 117.071 114.554 -0.148 0.000 2.918 391 T HA 0.326 4.676 4.350 0.000 0.000 0.286 391 T C -0.474 174.111 174.700 -0.190 0.000 1.026 391 T CA -0.572 61.441 62.100 -0.145 0.000 1.031 391 T CB 0.698 69.529 68.868 -0.062 0.000 1.046 391 T HN 0.393 nan 8.240 nan 0.000 0.479 392 H N 1.812 120.860 119.070 -0.036 0.000 2.483 392 H HA 0.205 4.761 4.556 0.000 0.000 0.338 392 H C -1.737 173.614 175.328 0.039 0.000 1.152 392 H CA -2.095 53.951 56.048 -0.003 0.000 1.264 392 H CB 1.480 31.234 29.762 -0.013 0.000 1.510 392 H HN 0.327 nan 8.280 nan 0.000 0.530 393 P HA -0.117 nan 4.420 nan 0.000 0.236 393 P C 0.294 177.675 177.300 0.135 0.000 1.172 393 P CA 0.551 63.722 63.100 0.118 0.000 0.759 393 P CB 0.028 31.791 31.700 0.105 0.000 0.843 394 S N -0.303 115.488 115.700 0.152 0.000 2.568 394 S HA 0.030 4.500 4.470 0.000 0.000 0.282 394 S C 0.963 175.659 174.600 0.159 0.000 1.338 394 S CA -0.327 57.947 58.200 0.123 0.000 1.045 394 S CB 0.518 63.767 63.200 0.081 0.000 0.873 394 S HN 0.038 nan 8.310 nan 0.000 0.516 395 Q N 0.027 119.901 119.800 0.123 0.000 2.280 395 Q HA 0.214 4.554 4.340 0.000 0.000 0.202 395 Q C -0.213 175.874 176.000 0.145 0.000 0.903 395 Q CA 0.122 56.000 55.803 0.124 0.000 0.948 395 Q CB -0.206 28.580 28.738 0.081 0.000 1.058 395 Q HN 0.635 nan 8.270 nan 0.000 0.493 396 K N 2.315 122.804 120.400 0.147 0.000 2.322 396 K HA 0.197 4.517 4.320 0.000 0.000 0.283 396 K C -2.465 174.235 176.600 0.167 0.000 1.042 396 K CA -1.988 54.363 56.287 0.108 0.000 0.958 396 K CB 0.469 32.993 32.500 0.040 0.000 0.984 396 K HN -0.155 nan 8.250 nan 0.000 0.473 397 P HA -0.107 nan 4.420 nan 0.000 0.263 397 P C -0.803 176.460 177.300 -0.061 0.000 1.175 397 P CA 0.195 63.368 63.100 0.121 0.000 0.761 397 P CB 0.381 32.106 31.700 0.041 0.000 0.794 398 L N 2.537 123.614 121.223 -0.242 0.000 2.292 398 L HA 0.412 4.752 4.340 0.000 0.000 0.284 398 L C 0.171 176.821 176.870 -0.366 0.000 1.065 398 L CA -0.168 54.339 54.840 -0.557 0.000 0.806 398 L CB 0.967 42.252 42.059 -1.290 0.000 1.175 398 L HN 0.316 nan 8.230 nan 0.000 0.431 399 S N 4.774 120.300 115.700 -0.290 0.000 2.519 399 S HA 0.718 5.188 4.470 0.000 0.000 0.309 399 S C -0.781 173.693 174.600 -0.210 0.000 1.100 399 S CA -0.570 57.497 58.200 -0.221 0.000 1.059 399 S CB 0.835 63.948 63.200 -0.146 0.000 1.008 399 S HN 0.402 nan 8.310 nan 0.000 0.478 400 I N 3.353 123.786 120.570 -0.228 0.000 2.569 400 I HA 0.466 4.636 4.170 0.000 0.000 0.296 400 I C -0.168 175.869 176.117 -0.132 0.000 1.028 400 I CA -0.308 60.888 61.300 -0.175 0.000 1.082 400 I CB 2.414 40.306 38.000 -0.180 0.000 1.264 400 I HN 0.458 nan 8.210 nan 0.000 0.429 401 T N 4.481 119.020 114.554 -0.025 0.000 2.963 401 T HA 0.489 4.839 4.350 0.000 0.000 0.328 401 T C -0.512 174.256 174.700 0.113 0.000 1.048 401 T CA -0.439 61.693 62.100 0.052 0.000 1.033 401 T CB 0.946 69.827 68.868 0.022 0.000 1.010 401 T HN 0.214 nan 8.240 nan 0.000 0.469 402 V N 4.783 124.842 119.914 0.242 0.000 2.481 402 V HA 0.574 4.694 4.120 0.000 0.000 0.286 402 V C 0.449 176.594 176.094 0.085 0.000 1.042 402 V CA -0.697 61.713 62.300 0.183 0.000 0.928 402 V CB 1.474 33.458 31.823 0.269 0.000 0.986 402 V HN 0.701 nan 8.190 nan 0.000 0.462 403 R N 1.697 122.213 120.500 0.027 0.000 3.029 403 R HA 0.727 5.068 4.340 0.000 0.000 0.239 403 R C -0.592 175.677 176.300 -0.052 0.000 1.351 403 R CA -0.768 55.326 56.100 -0.011 0.000 1.052 403 R CB 1.780 32.075 30.300 -0.007 0.000 1.354 403 R HN 0.741 nan 8.270 nan 0.000 0.499 404 T N -0.377 114.132 114.554 -0.074 0.000 2.788 404 T HA 0.314 4.665 4.350 0.000 0.000 0.296 404 T C 0.102 174.735 174.700 -0.112 0.000 1.009 404 T CA -1.005 61.017 62.100 -0.129 0.000 0.949 404 T CB 1.099 69.850 68.868 -0.196 0.000 0.946 404 T HN 0.212 nan 8.240 nan 0.000 0.453 405 K N 2.006 122.342 120.400 -0.107 0.000 2.790 405 K HA 0.142 4.462 4.320 0.000 0.000 0.229 405 K C 0.425 176.964 176.600 -0.101 0.000 1.040 405 K CA -0.293 55.943 56.287 -0.085 0.000 1.211 405 K CB -0.001 32.459 32.500 -0.068 0.000 1.002 405 K HN 0.421 nan 8.250 nan 0.000 0.479 406 K N 2.239 122.555 120.400 -0.140 0.000 2.395 406 K HA 0.020 4.340 4.320 0.000 0.000 0.283 406 K C 0.570 177.123 176.600 -0.078 0.000 1.068 406 K CA 0.388 56.588 56.287 -0.144 0.000 1.039 406 K CB 0.277 32.638 32.500 -0.232 0.000 0.924 406 K HN 0.321 nan 8.250 nan 0.000 0.468 407 Q N 1.582 121.346 119.800 -0.061 0.000 2.722 407 Q HA -0.047 4.293 4.340 0.000 0.000 0.214 407 Q C 0.156 176.141 176.000 -0.026 0.000 1.109 407 Q CA 0.224 56.003 55.803 -0.039 0.000 1.066 407 Q CB 0.311 29.029 28.738 -0.033 0.000 1.290 407 Q HN 0.493 nan 8.270 nan 0.000 0.620 408 E N -1.487 118.700 120.200 -0.022 0.000 3.170 408 E HA -0.243 4.107 4.350 0.000 0.000 0.284 408 E C -1.073 175.513 176.600 -0.024 0.000 0.967 408 E CA 0.170 56.559 56.400 -0.018 0.000 0.919 408 E CB -1.053 28.644 29.700 -0.005 0.000 1.469 408 E HN 0.198 nan 8.360 nan 0.000 0.444 409 L N 0.151 121.357 121.223 -0.028 0.000 2.526 409 L HA 0.308 4.648 4.340 0.000 0.000 0.263 409 L C -0.063 176.787 176.870 -0.033 0.000 0.943 409 L CA -0.150 54.669 54.840 -0.035 0.000 0.859 409 L CB 1.925 43.978 42.059 -0.011 0.000 1.313 409 L HN 0.120 nan 8.230 nan 0.000 0.406 410 S N 2.385 118.062 115.700 -0.039 0.000 2.589 410 S HA 0.226 4.696 4.470 0.000 0.000 0.265 410 S C 0.749 175.340 174.600 -0.015 0.000 1.342 410 S CA -0.333 57.850 58.200 -0.028 0.000 1.005 410 S CB 0.744 63.925 63.200 -0.031 0.000 0.909 410 S HN 0.675 nan 8.310 nan 0.000 0.555 411 E N 1.015 121.207 120.200 -0.014 0.000 2.268 411 E HA -0.077 4.273 4.350 0.000 0.000 0.195 411 E C 2.056 178.660 176.600 0.006 0.000 0.995 411 E CA 1.198 57.594 56.400 -0.008 0.000 0.836 411 E CB -0.652 29.042 29.700 -0.011 0.000 0.763 411 E HN 0.821 nan 8.360 nan 0.000 0.491 412 A N 0.925 123.751 122.820 0.009 0.000 2.119 412 A HA -0.090 4.230 4.320 0.000 0.000 0.216 412 A C 1.443 179.070 177.584 0.071 0.000 1.152 412 A CA 0.588 52.641 52.037 0.026 0.000 0.708 412 A CB -0.024 18.977 19.000 0.003 0.000 0.805 412 A HN 0.103 nan 8.150 nan 0.000 0.460 413 E N 0.008 120.251 120.200 0.071 0.000 2.496 413 E HA 0.099 4.449 4.350 0.000 0.000 0.200 413 E C -0.416 176.234 176.600 0.083 0.000 1.016 413 E CA -0.233 56.240 56.400 0.122 0.000 0.962 413 E CB 0.313 30.057 29.700 0.072 0.000 1.071 413 E HN 0.497 nan 8.360 nan 0.000 0.457 414 Q N 0.393 120.225 119.800 0.053 0.000 2.215 414 Q HA 0.602 4.942 4.340 0.000 0.000 0.256 414 Q C -0.279 175.739 176.000 0.032 0.000 0.972 414 Q CA -0.566 55.258 55.803 0.035 0.000 0.889 414 Q CB 1.883 30.621 28.738 0.000 0.000 1.281 414 Q HN 0.129 nan 8.270 nan 0.000 0.456 415 A N 0.550 123.382 122.820 0.020 0.000 2.269 415 A HA 0.757 5.077 4.320 0.000 0.000 0.319 415 A C -0.253 177.324 177.584 -0.012 0.000 1.110 415 A CA -0.267 51.771 52.037 0.003 0.000 0.847 415 A CB 1.456 20.453 19.000 -0.004 0.000 1.161 415 A HN 0.594 nan 8.150 nan 0.000 0.497 416 T N -0.584 113.964 114.554 -0.011 0.000 2.942 416 T HA 0.623 4.973 4.350 0.000 0.000 0.327 416 T C -1.250 173.464 174.700 0.024 0.000 1.360 416 T CA -0.561 61.544 62.100 0.009 0.000 1.055 416 T CB 1.231 70.112 68.868 0.022 0.000 1.261 416 T HN 1.051 nan 8.240 nan 0.000 0.485 417 R N 1.409 121.964 120.500 0.092 0.000 2.668 417 R HA 0.757 5.097 4.340 0.000 0.000 0.272 417 R C -1.668 174.828 176.300 0.327 0.000 1.019 417 R CA -0.360 55.849 56.100 0.181 0.000 0.894 417 R CB 2.059 32.443 30.300 0.140 0.000 1.228 417 R HN 0.679 nan 8.270 nan 0.000 0.460 418 T N 4.446 119.125 114.554 0.208 0.000 2.879 418 T HA 0.551 4.901 4.350 0.000 0.000 0.290 418 T C -0.399 174.265 174.700 -0.059 0.000 0.993 418 T CA -0.732 61.394 62.100 0.044 0.000 0.975 418 T CB 0.992 69.862 68.868 0.003 0.000 0.981 418 T HN 0.650 nan 8.240 nan 0.000 0.439 419 M N 1.743 121.154 119.600 -0.314 0.000 2.852 419 M HA 0.741 5.221 4.480 0.000 0.000 0.301 419 M C -1.090 175.066 176.300 -0.239 0.000 1.229 419 M CA -1.007 54.120 55.300 -0.288 0.000 0.832 419 M CB 2.122 34.422 32.600 -0.499 0.000 1.726 419 M HN 0.471 nan 8.290 nan 0.000 0.497 420 Q N 0.866 120.557 119.800 -0.182 0.000 2.263 420 Q HA 0.718 5.058 4.340 0.000 0.000 0.266 420 Q C -2.209 173.696 176.000 -0.159 0.000 1.002 420 Q CA -0.583 55.121 55.803 -0.165 0.000 0.790 420 Q CB 2.413 31.085 28.738 -0.110 0.000 1.272 420 Q HN 0.968 nan 8.270 nan 0.000 0.435 421 A N 4.379 127.093 122.820 -0.176 0.000 2.320 421 A HA 0.795 5.115 4.320 0.000 0.000 0.334 421 A C -1.100 176.559 177.584 0.125 0.000 1.147 421 A CA -0.622 51.362 52.037 -0.087 0.000 0.820 421 A CB 0.909 19.822 19.000 -0.144 0.000 1.218 421 A HN 0.763 nan 8.150 nan 0.000 0.482 422 L N 1.582 122.826 121.223 0.035 0.000 2.330 422 L HA 0.457 4.797 4.340 0.000 0.000 0.271 422 L C -2.346 174.468 176.870 -0.095 0.000 1.013 422 L CA -2.321 52.574 54.840 0.092 0.000 0.816 422 L CB 2.119 44.188 42.059 0.016 0.000 1.287 422 L HN 0.420 nan 8.230 nan 0.000 0.435 423 P HA -0.057 nan 4.420 nan 0.000 0.269 423 P C -1.348 175.886 177.300 -0.111 0.000 1.215 423 P CA 0.040 62.785 63.100 -0.591 0.000 0.780 423 P CB 0.227 31.778 31.700 -0.249 0.000 0.898 424 Y N 2.487 122.690 120.300 -0.161 0.000 2.477 424 Y HA 0.272 4.822 4.550 0.000 0.000 0.349 424 Y C 0.675 176.636 175.900 0.100 0.000 0.977 424 Y CA -0.303 57.818 58.100 0.034 0.000 1.214 424 Y CB 0.270 38.815 38.460 0.141 0.000 1.124 424 Y HN 0.252 nan 8.280 nan 0.000 0.521 425 S N 4.515 119.973 115.700 -0.405 0.000 2.552 425 S HA 0.169 4.639 4.470 0.000 0.000 0.289 425 S C -0.138 174.173 174.600 -0.482 0.000 1.304 425 S CA -0.034 57.967 58.200 -0.332 0.000 1.063 425 S CB 0.050 63.094 63.200 -0.259 0.000 0.848 425 S HN 0.793 nan 8.310 nan 0.000 0.499 426 T N 4.380 118.796 114.554 -0.230 0.000 2.855 426 T HA 0.346 4.696 4.350 0.000 0.000 0.281 426 T C -0.427 174.190 174.700 -0.138 0.000 1.007 426 T CA -0.642 61.333 62.100 -0.208 0.000 1.009 426 T CB 1.430 70.166 68.868 -0.221 0.000 0.983 426 T HN 0.468 nan 8.240 nan 0.000 0.455 427 V N 3.268 123.103 119.914 -0.132 0.000 2.377 427 V HA 0.403 4.523 4.120 0.000 0.000 0.254 427 V C 1.431 177.463 176.094 -0.105 0.000 1.060 427 V CA 0.898 63.129 62.300 -0.116 0.000 1.068 427 V CB -0.458 31.246 31.823 -0.198 0.000 1.113 427 V HN 1.293 nan 8.190 nan 0.000 0.484 428 G N 4.908 113.664 108.800 -0.073 0.000 2.141 428 G HA2 -0.266 3.694 3.960 0.000 0.000 0.242 428 G HA3 -0.266 3.694 3.960 0.000 0.000 0.242 428 G C 0.365 175.236 174.900 -0.049 0.000 0.982 428 G CA -0.007 45.058 45.100 -0.059 0.000 0.662 428 G HN 0.839 nan 8.290 nan 0.000 0.527 429 N N -1.230 117.438 118.700 -0.053 0.000 2.708 429 N HA -0.223 4.517 4.740 0.000 0.000 0.251 429 N C 1.498 176.990 175.510 -0.029 0.000 1.123 429 N CA 2.012 55.043 53.050 -0.032 0.000 0.739 429 N CB -1.683 36.802 38.487 -0.004 0.000 1.113 429 N HN 1.504 nan 8.380 nan 0.000 0.561 430 S N -0.835 114.829 115.700 -0.061 0.000 2.595 430 S HA -0.045 4.425 4.470 0.000 0.000 0.235 430 S C 0.796 175.373 174.600 -0.038 0.000 0.974 430 S CA 0.403 58.577 58.200 -0.045 0.000 0.942 430 S CB -0.013 63.146 63.200 -0.069 0.000 0.766 430 S HN 0.351 nan 8.310 nan 0.000 0.536 431 N N 1.376 120.026 118.700 -0.084 0.000 2.725 431 N HA -0.128 4.612 4.740 0.000 0.000 0.249 431 N C -1.535 173.866 175.510 -0.182 0.000 1.103 431 N CA 0.902 53.915 53.050 -0.062 0.000 0.707 431 N CB -2.112 36.484 38.487 0.180 0.000 1.043 431 N HN 0.539 nan 8.380 nan 0.000 0.553 432 N N 0.768 119.288 118.700 -0.300 0.000 2.414 432 N HA 0.322 5.062 4.740 0.000 0.000 0.256 432 N C -0.165 175.207 175.510 -0.230 0.000 1.029 432 N CA 0.107 53.095 53.050 -0.102 0.000 0.948 432 N CB 0.324 38.837 38.487 0.043 0.000 1.102 432 N HN 0.211 nan 8.380 nan 0.000 0.496 433 Y N 0.676 121.120 120.300 0.240 0.000 2.686 433 Y HA 0.697 5.248 4.550 0.000 0.000 0.330 433 Y C -0.352 175.689 175.900 0.235 0.000 1.082 433 Y CA -1.255 56.945 58.100 0.166 0.000 1.158 433 Y CB 1.369 39.891 38.460 0.103 0.000 1.333 433 Y HN 0.223 nan 8.280 nan 0.000 0.519 434 L N 0.824 122.225 121.223 0.298 0.000 2.526 434 L HA 0.480 4.820 4.340 0.000 0.000 0.263 434 L C -1.950 175.008 176.870 0.147 0.000 0.943 434 L CA -0.328 54.677 54.840 0.275 0.000 0.859 434 L CB 1.781 44.069 42.059 0.381 0.000 1.313 434 L HN 0.802 nan 8.230 nan 0.000 0.406 435 H N 3.960 123.042 119.070 0.020 0.000 2.637 435 H HA 0.771 5.328 4.556 0.000 0.000 0.363 435 H C -1.550 173.702 175.328 -0.126 0.000 1.131 435 H CA -0.560 55.461 56.048 -0.045 0.000 1.183 435 H CB 1.740 31.490 29.762 -0.021 0.000 1.637 435 H HN 0.622 nan 8.280 nan 0.000 0.531 436 L N 4.709 125.571 121.223 -0.602 0.000 2.384 436 L HA 0.318 4.658 4.340 0.000 0.000 0.261 436 L C -0.285 176.321 176.870 -0.440 0.000 1.024 436 L CA -0.746 53.794 54.840 -0.499 0.000 0.899 436 L CB 1.083 42.847 42.059 -0.491 0.000 1.243 436 L HN 0.609 nan 8.230 nan 0.000 0.449 437 S N 1.830 117.415 115.700 -0.193 0.000 2.537 437 S HA 0.705 5.175 4.470 0.000 0.000 0.275 437 S C -0.284 174.229 174.600 -0.145 0.000 1.272 437 S CA -0.640 57.510 58.200 -0.084 0.000 1.050 437 S CB 1.977 65.209 63.200 0.054 0.000 0.961 437 S HN 0.200 nan 8.310 nan 0.000 0.496 438 V N 3.649 123.482 119.914 -0.136 0.000 2.577 438 V HA 0.295 4.415 4.120 0.000 0.000 0.303 438 V C -0.616 175.415 176.094 -0.106 0.000 1.042 438 V CA -0.941 61.278 62.300 -0.136 0.000 0.872 438 V CB 1.577 33.300 31.823 -0.167 0.000 0.998 438 V HN 0.862 nan 8.190 nan 0.000 0.423 439 L N 4.828 125.998 121.223 -0.088 0.000 2.742 439 L HA 0.161 4.501 4.340 0.000 0.000 0.275 439 L C 0.878 177.699 176.870 -0.082 0.000 1.141 439 L CA 0.475 55.271 54.840 -0.073 0.000 0.987 439 L CB -0.643 41.379 42.059 -0.062 0.000 1.319 439 L HN 0.532 nan 8.230 nan 0.000 0.478 440 R N 3.049 123.501 120.500 -0.081 0.000 2.387 440 R HA 0.270 4.610 4.340 0.000 0.000 0.321 440 R C -0.379 175.879 176.300 -0.070 0.000 1.174 440 R CA 0.159 56.206 56.100 -0.087 0.000 1.002 440 R CB -0.492 29.761 30.300 -0.078 0.000 1.028 440 R HN 0.748 nan 8.270 nan 0.000 0.482 441 T N 0.068 114.577 114.554 -0.074 0.000 2.900 441 T HA 0.349 4.699 4.350 0.000 0.000 0.303 441 T C -0.560 174.104 174.700 -0.061 0.000 1.142 441 T CA -1.123 60.943 62.100 -0.056 0.000 1.007 441 T CB 1.155 69.995 68.868 -0.048 0.000 1.156 441 T HN 0.504 nan 8.240 nan 0.000 0.490 442 E N 1.869 122.045 120.200 -0.041 0.000 2.406 442 E HA 0.115 4.465 4.350 0.000 0.000 0.247 442 E C -0.137 176.432 176.600 -0.050 0.000 1.160 442 E CA -0.045 56.330 56.400 -0.041 0.000 0.950 442 E CB 0.010 29.702 29.700 -0.014 0.000 0.993 442 E HN 0.410 nan 8.360 nan 0.000 0.472 443 L N 4.215 125.398 121.223 -0.067 0.000 2.426 443 L HA 0.209 4.549 4.340 0.000 0.000 0.271 443 L C 0.668 177.499 176.870 -0.064 0.000 1.169 443 L CA 0.335 55.133 54.840 -0.070 0.000 0.836 443 L CB 0.324 42.342 42.059 -0.068 0.000 1.112 443 L HN 0.390 nan 8.230 nan 0.000 0.465 444 R N 2.983 123.442 120.500 -0.068 0.000 2.686 444 R HA 0.420 4.760 4.340 0.000 0.000 0.283 444 R C -2.626 173.637 176.300 -0.062 0.000 0.978 444 R CA -2.165 53.903 56.100 -0.054 0.000 0.897 444 R CB 1.404 31.681 30.300 -0.037 0.000 1.192 444 R HN 0.290 nan 8.270 nan 0.000 0.457 445 P HA -0.015 nan 4.420 nan 0.000 0.261 445 P C 0.618 177.901 177.300 -0.028 0.000 1.183 445 P CA 1.106 64.189 63.100 -0.030 0.000 0.761 445 P CB 0.559 32.259 31.700 -0.000 0.000 0.785 446 G N 2.146 110.924 108.800 -0.038 0.000 2.259 446 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 446 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 446 G C 0.304 175.175 174.900 -0.048 0.000 1.001 446 G CA -0.315 44.767 45.100 -0.030 0.000 0.627 446 G HN 0.513 nan 8.290 nan 0.000 0.501 447 E N -0.096 120.062 120.200 -0.070 0.000 3.218 447 E HA 0.562 4.912 4.350 0.000 0.000 0.265 447 E C -0.028 176.511 176.600 -0.101 0.000 1.393 447 E CA 0.353 56.708 56.400 -0.075 0.000 1.160 447 E CB 0.628 30.283 29.700 -0.075 0.000 1.272 447 E HN 0.125 nan 8.360 nan 0.000 0.720 448 T N 0.178 114.674 114.554 -0.097 0.000 2.916 448 T HA 0.458 4.808 4.350 0.000 0.000 0.298 448 T C -1.816 172.817 174.700 -0.112 0.000 1.031 448 T CA -0.725 61.310 62.100 -0.108 0.000 0.993 448 T CB 0.838 69.662 68.868 -0.073 0.000 1.045 448 T HN 0.207 nan 8.240 nan 0.000 0.454 449 L N 4.749 125.890 121.223 -0.137 0.000 2.346 449 L HA 0.684 5.024 4.340 0.000 0.000 0.276 449 L C -0.834 175.980 176.870 -0.094 0.000 1.006 449 L CA -0.456 54.315 54.840 -0.115 0.000 0.817 449 L CB 1.732 43.714 42.059 -0.129 0.000 1.272 449 L HN 0.574 nan 8.230 nan 0.000 0.421 450 N N 3.973 122.626 118.700 -0.077 0.000 2.462 450 N HA 0.312 5.052 4.740 0.000 0.000 0.242 450 N C -1.048 174.411 175.510 -0.086 0.000 1.010 450 N CA -0.226 52.785 53.050 -0.065 0.000 0.939 450 N CB 1.631 40.090 38.487 -0.047 0.000 1.127 450 N HN 0.351 nan 8.380 nan 0.000 0.509 451 V N 3.003 122.859 119.914 -0.098 0.000 2.432 451 V HA 0.248 4.368 4.120 0.000 0.000 0.275 451 V C 0.123 176.084 176.094 -0.221 0.000 1.043 451 V CA -0.716 61.464 62.300 -0.200 0.000 0.925 451 V CB 0.764 32.432 31.823 -0.258 0.000 0.985 451 V HN 0.469 nan 8.190 nan 0.000 0.466 452 N N 4.068 122.592 118.700 -0.294 0.000 2.419 452 N HA 0.490 5.230 4.740 0.000 0.000 0.277 452 N C -1.012 174.271 175.510 -0.378 0.000 1.006 452 N CA -0.312 52.623 53.050 -0.192 0.000 0.923 452 N CB 1.339 39.770 38.487 -0.094 0.000 1.140 452 N HN 0.452 nan 8.380 nan 0.000 0.488 453 F N 1.843 121.703 119.950 -0.149 0.000 2.308 453 F HA 0.310 4.837 4.527 0.000 0.000 0.370 453 F C 0.114 175.812 175.800 -0.171 0.000 1.100 453 F CA -0.887 56.949 58.000 -0.274 0.000 1.108 453 F CB 0.744 39.407 39.000 -0.562 0.000 1.293 453 F HN 0.202 nan 8.300 nan 0.000 0.478 454 L N 5.037 126.277 121.223 0.028 0.000 2.275 454 L HA 0.592 4.932 4.340 0.000 0.000 0.288 454 L C -1.019 175.917 176.870 0.110 0.000 1.046 454 L CA -0.583 54.303 54.840 0.077 0.000 0.805 454 L CB 0.873 42.983 42.059 0.085 0.000 1.193 454 L HN 0.508 nan 8.230 nan 0.000 0.426 455 L N 5.552 126.844 121.223 0.115 0.000 2.334 455 L HA 0.672 5.012 4.340 0.000 0.000 0.270 455 L C -0.687 176.252 176.870 0.116 0.000 1.018 455 L CA -0.313 54.601 54.840 0.122 0.000 0.811 455 L CB 1.410 43.518 42.059 0.083 0.000 1.271 455 L HN 0.763 nan 8.230 nan 0.000 0.443 456 R N 5.422 126.011 120.500 0.150 0.000 2.631 456 R HA 0.659 4.999 4.340 0.000 0.000 0.289 456 R C -1.855 174.549 176.300 0.173 0.000 1.303 456 R CA -0.362 55.840 56.100 0.169 0.000 0.989 456 R CB 0.744 31.187 30.300 0.238 0.000 1.208 456 R HN 0.882 nan 8.270 nan 0.000 0.461 457 M N 0.694 120.360 119.600 0.110 0.000 2.694 457 M HA 0.345 4.825 4.480 0.000 0.000 0.276 457 M C -1.566 174.778 176.300 0.073 0.000 1.167 457 M CA -1.151 54.209 55.300 0.100 0.000 0.849 457 M CB 1.485 34.137 32.600 0.086 0.000 1.705 457 M HN 0.294 nan 8.290 nan 0.000 0.504 458 D N 1.256 121.703 120.400 0.079 0.000 2.378 458 D HA 0.101 4.741 4.640 0.000 0.000 0.238 458 D C 0.775 177.094 176.300 0.032 0.000 1.180 458 D CA -0.246 53.788 54.000 0.056 0.000 0.895 458 D CB 0.609 41.447 40.800 0.062 0.000 1.192 458 D HN 0.849 nan 8.370 nan 0.000 0.438 459 R N 0.247 120.749 120.500 0.003 0.000 2.339 459 R HA 0.087 4.427 4.340 0.000 0.000 0.199 459 R C 1.480 177.736 176.300 -0.073 0.000 1.018 459 R CA 0.682 56.767 56.100 -0.025 0.000 1.036 459 R CB -0.516 29.769 30.300 -0.025 0.000 0.899 459 R HN 0.383 nan 8.270 nan 0.000 0.473 460 A N 1.130 123.893 122.820 -0.096 0.000 2.067 460 A HA -0.118 4.203 4.320 0.000 0.000 0.219 460 A C 0.929 178.142 177.584 -0.619 0.000 1.158 460 A CA 1.012 52.870 52.037 -0.298 0.000 0.661 460 A CB -0.312 18.552 19.000 -0.228 0.000 0.801 460 A HN 0.572 nan 8.150 nan 0.000 0.452 461 H N -2.195 116.863 119.070 -0.021 0.000 3.394 461 H HA 0.049 4.605 4.556 0.000 0.000 0.256 461 H C 1.139 176.436 175.328 -0.053 0.000 1.180 461 H CA 0.697 56.726 56.048 -0.032 0.000 1.064 461 H CB 0.074 29.821 29.762 -0.025 0.000 1.854 461 H HN 0.763 nan 8.280 nan 0.000 0.731 462 E N 1.340 121.551 120.200 0.018 0.000 2.268 462 E HA -0.009 4.341 4.350 0.000 0.000 0.195 462 E C 1.855 178.418 176.600 -0.062 0.000 0.995 462 E CA 1.154 57.534 56.400 -0.033 0.000 0.836 462 E CB -0.008 29.674 29.700 -0.030 0.000 0.763 462 E HN 0.218 nan 8.360 nan 0.000 0.491 463 A N 0.652 123.444 122.820 -0.048 0.000 2.235 463 A HA 0.044 4.364 4.320 0.000 0.000 0.208 463 A C 1.662 179.212 177.584 -0.058 0.000 1.172 463 A CA 0.526 52.532 52.037 -0.053 0.000 0.786 463 A CB -0.188 18.785 19.000 -0.044 0.000 0.804 463 A HN 0.168 nan 8.150 nan 0.000 0.479 464 K N -0.382 119.984 120.400 -0.057 0.000 2.356 464 K HA 0.188 4.509 4.320 0.000 0.000 0.195 464 K C -0.277 176.223 176.600 -0.166 0.000 1.037 464 K CA 0.042 56.286 56.287 -0.072 0.000 1.014 464 K CB 0.316 32.804 32.500 -0.019 0.000 0.815 464 K HN 0.289 nan 8.250 nan 0.000 0.507 465 I N 2.670 123.110 120.570 -0.215 0.000 2.311 465 I HA 0.049 4.220 4.170 0.000 0.000 0.297 465 I C 0.760 176.656 176.117 -0.368 0.000 1.131 465 I CA 0.424 61.495 61.300 -0.381 0.000 1.289 465 I CB 0.442 38.154 38.000 -0.481 0.000 1.446 465 I HN 0.022 nan 8.210 nan 0.000 0.524 466 R N 5.328 125.590 120.500 -0.396 0.000 2.365 466 R HA 0.183 4.523 4.340 0.000 0.000 0.223 466 R C -0.559 175.686 176.300 -0.091 0.000 0.899 466 R CA 0.138 56.128 56.100 -0.182 0.000 1.059 466 R CB 0.020 30.315 30.300 -0.008 0.000 1.086 466 R HN 0.654 nan 8.270 nan 0.000 0.522 467 Y N -3.545 116.582 120.300 -0.288 0.000 2.620 467 Y HA 0.508 5.058 4.550 0.000 0.000 0.331 467 Y C -1.333 174.315 175.900 -0.420 0.000 1.173 467 Y CA -2.175 55.763 58.100 -0.269 0.000 1.076 467 Y CB 0.137 38.537 38.460 -0.100 0.000 1.336 467 Y HN -0.209 nan 8.280 nan 0.000 0.459 468 Y N 0.040 120.378 120.300 0.063 0.000 2.568 468 Y HA 0.778 5.328 4.550 0.000 0.000 0.327 468 Y C -0.095 175.845 175.900 0.067 0.000 1.163 468 Y CA -1.120 56.979 58.100 -0.002 0.000 1.219 468 Y CB 2.369 40.735 38.460 -0.157 0.000 1.308 468 Y HN 0.670 nan 8.280 nan 0.000 0.503 469 T N 1.951 116.606 114.554 0.168 0.000 2.963 469 T HA 0.281 4.631 4.350 0.000 0.000 0.328 469 T C -1.421 173.434 174.700 0.259 0.000 1.048 469 T CA -0.691 61.465 62.100 0.093 0.000 1.033 469 T CB -0.628 68.174 68.868 -0.111 0.000 1.010 469 T HN 0.414 nan 8.240 nan 0.000 0.469 470 Y N 2.229 122.684 120.300 0.259 0.000 2.334 470 Y HA 0.841 5.391 4.550 0.000 0.000 0.328 470 Y C -1.195 174.872 175.900 0.278 0.000 1.130 470 Y CA -1.757 56.529 58.100 0.310 0.000 1.163 470 Y CB 0.536 39.218 38.460 0.371 0.000 1.207 470 Y HN 0.275 nan 8.280 nan 0.000 0.471 471 L N 5.272 126.714 121.223 0.364 0.000 2.385 471 L HA 0.404 4.744 4.340 0.000 0.000 0.273 471 L C -0.842 176.222 176.870 0.322 0.000 0.990 471 L CA -0.718 54.288 54.840 0.278 0.000 0.821 471 L CB 1.869 44.091 42.059 0.272 0.000 1.279 471 L HN 0.617 nan 8.230 nan 0.000 0.412 472 I N 4.106 124.853 120.570 0.295 0.000 2.312 472 I HA 0.322 4.492 4.170 0.000 0.000 0.291 472 I C -0.098 176.154 176.117 0.225 0.000 1.031 472 I CA -0.255 61.228 61.300 0.305 0.000 1.293 472 I CB 1.134 39.286 38.000 0.254 0.000 1.403 472 I HN 0.508 nan 8.210 nan 0.000 0.484 473 M N 6.205 125.962 119.600 0.262 0.000 2.264 473 M HA 0.335 4.815 4.480 0.000 0.000 0.352 473 M C -0.145 176.295 176.300 0.233 0.000 1.173 473 M CA -0.060 55.367 55.300 0.212 0.000 1.075 473 M CB 1.020 33.740 32.600 0.200 0.000 1.621 473 M HN 0.550 nan 8.290 nan 0.000 0.457 474 N N 2.281 121.082 118.700 0.168 0.000 2.600 474 N HA 0.121 4.861 4.740 0.000 0.000 0.272 474 N C -0.899 174.702 175.510 0.151 0.000 1.095 474 N CA -0.199 52.951 53.050 0.166 0.000 0.993 474 N CB 1.165 39.694 38.487 0.070 0.000 1.603 474 N HN 0.655 nan 8.380 nan 0.000 0.526 475 K N 2.137 122.652 120.400 0.192 0.000 3.088 475 K HA -0.209 4.112 4.320 0.000 0.000 0.273 475 K C 0.498 177.216 176.600 0.197 0.000 1.111 475 K CA 0.946 57.366 56.287 0.221 0.000 0.803 475 K CB -1.502 31.143 32.500 0.241 0.000 1.226 475 K HN 1.014 nan 8.250 nan 0.000 0.485 476 G N 0.513 109.405 108.800 0.154 0.000 2.171 476 G HA2 -0.339 3.621 3.960 0.000 0.000 0.238 476 G HA3 -0.339 3.621 3.960 0.000 0.000 0.238 476 G C -0.114 174.827 174.900 0.069 0.000 1.039 476 G CA 0.625 45.790 45.100 0.108 0.000 0.759 476 G HN 0.694 nan 8.290 nan 0.000 0.501 477 R N -1.526 119.022 120.500 0.079 0.000 2.766 477 R HA 0.748 5.088 4.340 0.000 0.000 0.270 477 R C -1.024 175.313 176.300 0.062 0.000 1.035 477 R CA -1.326 54.803 56.100 0.048 0.000 0.911 477 R CB 0.747 31.064 30.300 0.030 0.000 1.243 477 R HN 0.195 nan 8.270 nan 0.000 0.460 478 L N 2.931 124.182 121.223 0.046 0.000 2.282 478 L HA 0.234 4.574 4.340 0.000 0.000 0.287 478 L C 1.030 177.917 176.870 0.028 0.000 1.075 478 L CA -0.555 54.322 54.840 0.061 0.000 0.839 478 L CB 1.329 43.432 42.059 0.072 0.000 1.219 478 L HN 0.623 nan 8.230 nan 0.000 0.434 479 L N 3.278 124.507 121.223 0.010 0.000 2.072 479 L HA 0.094 4.434 4.340 0.000 0.000 0.205 479 L C 0.693 177.542 176.870 -0.036 0.000 1.079 479 L CA 1.703 56.504 54.840 -0.066 0.000 0.752 479 L CB -0.139 41.797 42.059 -0.206 0.000 0.906 479 L HN 0.606 nan 8.230 nan 0.000 0.436 480 K N -1.433 118.984 120.400 0.029 0.000 2.610 480 K HA 0.601 4.921 4.320 0.000 0.000 0.278 480 K C -2.091 174.559 176.600 0.083 0.000 0.964 480 K CA -0.227 56.098 56.287 0.063 0.000 0.859 480 K CB 1.586 34.145 32.500 0.098 0.000 1.434 480 K HN -0.056 nan 8.250 nan 0.000 0.410 481 A N 1.543 124.374 122.820 0.018 0.000 2.402 481 A HA 0.771 5.091 4.320 0.000 0.000 0.291 481 A C -0.798 176.641 177.584 -0.242 0.000 1.051 481 A CA -0.038 51.947 52.037 -0.087 0.000 0.716 481 A CB 1.659 20.671 19.000 0.021 0.000 1.223 481 A HN 0.825 nan 8.150 nan 0.000 0.425 482 G N 1.079 109.444 108.800 -0.725 0.000 2.975 482 G HA2 0.734 4.694 3.960 0.000 0.000 0.291 482 G HA3 0.734 4.694 3.960 0.000 0.000 0.291 482 G C -1.129 173.409 174.900 -0.604 0.000 1.334 482 G CA -0.662 44.068 45.100 -0.617 0.000 0.843 482 G HN 0.616 nan 8.290 nan 0.000 0.548 483 R N -0.743 119.683 120.500 -0.124 0.000 2.892 483 R HA 0.650 4.990 4.340 0.000 0.000 0.265 483 R C -1.382 175.092 176.300 0.289 0.000 1.025 483 R CA -0.878 55.266 56.100 0.074 0.000 0.982 483 R CB 1.817 32.105 30.300 -0.019 0.000 1.185 483 R HN 0.504 nan 8.270 nan 0.000 0.484 484 Q N 1.200 121.119 119.800 0.199 0.000 2.533 484 Q HA 0.238 4.579 4.340 0.000 0.000 0.251 484 Q C -0.726 175.327 176.000 0.089 0.000 0.966 484 Q CA -0.581 55.268 55.803 0.076 0.000 0.714 484 Q CB 1.129 29.713 28.738 -0.258 0.000 1.284 484 Q HN 0.515 nan 8.270 nan 0.000 0.478 485 V N 1.385 121.347 119.914 0.080 0.000 3.178 485 V HA 0.520 4.640 4.120 0.000 0.000 0.306 485 V C -0.123 176.000 176.094 0.048 0.000 1.107 485 V CA -0.307 62.039 62.300 0.077 0.000 1.195 485 V CB 0.951 32.809 31.823 0.057 0.000 0.993 485 V HN 0.872 nan 8.190 nan 0.000 0.493 486 R N 1.448 121.959 120.500 0.018 0.000 2.563 486 R HA 0.461 4.801 4.340 0.000 0.000 0.262 486 R C -1.434 174.852 176.300 -0.025 0.000 1.128 486 R CA -0.545 55.551 56.100 -0.007 0.000 0.969 486 R CB 1.974 32.239 30.300 -0.059 0.000 1.251 486 R HN 0.921 nan 8.270 nan 0.000 0.442 487 E N 3.616 123.811 120.200 -0.009 0.000 2.214 487 E HA 0.377 4.727 4.350 0.000 0.000 0.274 487 E C -2.490 174.096 176.600 -0.024 0.000 0.977 487 E CA -2.087 54.304 56.400 -0.013 0.000 0.827 487 E CB 1.259 30.959 29.700 0.000 0.000 1.130 487 E HN 0.334 nan 8.360 nan 0.000 0.394 488 P HA 0.080 nan 4.420 nan 0.000 0.261 488 P C 0.371 177.660 177.300 -0.019 0.000 1.203 488 P CA 0.930 64.010 63.100 -0.033 0.000 0.767 488 P CB 0.408 32.090 31.700 -0.031 0.000 0.785 489 G N 2.634 111.424 108.800 -0.016 0.000 2.336 489 G HA2 -0.169 3.791 3.960 0.000 0.000 0.194 489 G HA3 -0.169 3.791 3.960 0.000 0.000 0.194 489 G C -0.050 174.853 174.900 0.005 0.000 0.999 489 G CA -0.535 44.562 45.100 -0.005 0.000 0.669 489 G HN 0.528 nan 8.290 nan 0.000 0.482 490 Q N 1.043 120.848 119.800 0.008 0.000 2.377 490 Q HA 0.404 4.744 4.340 0.000 0.000 0.249 490 Q C -0.014 176.011 176.000 0.041 0.000 1.005 490 Q CA -0.477 55.342 55.803 0.026 0.000 0.912 490 Q CB 1.095 29.854 28.738 0.035 0.000 1.223 490 Q HN 0.188 nan 8.270 nan 0.000 0.459 491 D N 1.289 121.714 120.400 0.041 0.000 2.289 491 D HA 0.028 4.669 4.640 0.000 0.000 0.207 491 D C -0.309 176.034 176.300 0.071 0.000 0.966 491 D CA 0.641 54.672 54.000 0.051 0.000 0.868 491 D CB 0.490 41.312 40.800 0.036 0.000 0.943 491 D HN 0.218 nan 8.370 nan 0.000 0.514 492 L N 0.974 122.239 121.223 0.069 0.000 2.482 492 L HA 0.321 4.661 4.340 0.000 0.000 0.269 492 L C -0.854 176.069 176.870 0.087 0.000 0.967 492 L CA -1.021 53.865 54.840 0.077 0.000 0.851 492 L CB 1.691 43.779 42.059 0.049 0.000 1.242 492 L HN -0.167 nan 8.230 nan 0.000 0.404 493 V N 2.734 122.725 119.914 0.129 0.000 3.096 493 V HA 0.901 5.021 4.120 0.000 0.000 0.319 493 V C -0.593 175.601 176.094 0.167 0.000 1.103 493 V CA -0.742 61.635 62.300 0.128 0.000 1.016 493 V CB 1.893 33.790 31.823 0.123 0.000 1.090 493 V HN 0.449 nan 8.190 nan 0.000 0.449 494 V N 2.270 122.260 119.914 0.128 0.000 2.769 494 V HA 0.606 4.726 4.120 0.000 0.000 0.312 494 V C -0.698 175.472 176.094 0.126 0.000 1.061 494 V CA -0.539 61.833 62.300 0.120 0.000 0.931 494 V CB 1.625 33.480 31.823 0.053 0.000 1.010 494 V HN 0.882 nan 8.190 nan 0.000 0.433 495 L N 6.460 127.763 121.223 0.132 0.000 2.343 495 L HA 0.666 5.006 4.340 0.000 0.000 0.278 495 L C -2.588 174.277 176.870 -0.008 0.000 0.996 495 L CA -1.935 52.950 54.840 0.074 0.000 0.831 495 L CB 1.884 44.042 42.059 0.164 0.000 1.232 495 L HN 0.383 nan 8.230 nan 0.000 0.413 496 P HA 0.147 nan 4.420 nan 0.000 0.249 496 P C -0.883 176.389 177.300 -0.048 0.000 1.737 496 P CA -0.225 62.859 63.100 -0.027 0.000 1.128 496 P CB 0.027 31.722 31.700 -0.007 0.000 1.942 497 L N 2.223 123.397 121.223 -0.083 0.000 2.281 497 L HA 0.306 4.646 4.340 0.000 0.000 0.285 497 L C -0.007 176.771 176.870 -0.154 0.000 1.074 497 L CA 0.258 55.030 54.840 -0.114 0.000 0.817 497 L CB 0.528 42.494 42.059 -0.154 0.000 1.168 497 L HN 0.010 nan 8.230 nan 0.000 0.434 498 S N 6.579 122.208 115.700 -0.119 0.000 2.422 498 S HA 0.505 4.975 4.470 0.000 0.000 0.298 498 S C -0.114 174.323 174.600 -0.273 0.000 1.118 498 S CA -0.559 57.561 58.200 -0.132 0.000 1.083 498 S CB 0.473 63.656 63.200 -0.029 0.000 0.971 498 S HN 0.395 nan 8.310 nan 0.000 0.478 499 I N 4.630 124.961 120.570 -0.399 0.000 2.352 499 I HA 0.211 4.381 4.170 0.000 0.000 0.290 499 I C 1.315 177.329 176.117 -0.171 0.000 1.036 499 I CA -0.001 60.917 61.300 -0.637 0.000 1.336 499 I CB 0.206 37.865 38.000 -0.567 0.000 1.407 499 I HN 0.662 nan 8.210 nan 0.000 0.497 500 T N 1.310 115.952 114.554 0.147 0.000 2.797 500 T HA 0.285 4.635 4.350 0.000 0.000 0.267 500 T C 1.247 176.057 174.700 0.183 0.000 0.986 500 T CA 0.173 62.384 62.100 0.185 0.000 0.999 500 T CB 0.993 69.983 68.868 0.204 0.000 1.508 500 T HN 0.606 nan 8.240 nan 0.000 0.595 501 T N -2.135 112.489 114.554 0.117 0.000 3.088 501 T HA 0.069 4.419 4.350 0.000 0.000 0.259 501 T C 0.896 175.643 174.700 0.079 0.000 1.122 501 T CA 0.602 62.753 62.100 0.085 0.000 1.095 501 T CB -0.551 68.360 68.868 0.073 0.000 0.930 501 T HN 0.488 nan 8.240 nan 0.000 0.508 502 D N 1.198 121.633 120.400 0.058 0.000 2.123 502 D HA 0.068 4.708 4.640 0.000 0.000 0.200 502 D C 1.403 177.646 176.300 -0.096 0.000 0.976 502 D CA 0.570 54.536 54.000 -0.057 0.000 0.831 502 D CB -0.574 40.107 40.800 -0.198 0.000 0.974 502 D HN 0.451 nan 8.370 nan 0.000 0.469 503 F N 1.161 121.057 119.950 -0.090 0.000 2.307 503 F HA -0.033 4.494 4.527 0.000 0.000 0.301 503 F C 1.160 176.934 175.800 -0.043 0.000 1.076 503 F CA 0.196 58.129 58.000 -0.113 0.000 1.383 503 F CB -0.636 38.162 39.000 -0.337 0.000 1.055 503 F HN -0.113 nan 8.300 nan 0.000 0.526 504 I N 2.269 122.857 120.570 0.030 0.000 2.775 504 I HA -0.092 4.079 4.170 0.000 0.000 0.290 504 I C -1.386 174.546 176.117 -0.308 0.000 1.203 504 I CA -1.039 60.124 61.300 -0.229 0.000 1.433 504 I CB 0.379 38.151 38.000 -0.381 0.000 1.354 504 I HN -0.119 nan 8.210 nan 0.000 0.579 505 P HA 0.019 nan 4.420 nan 0.000 0.220 505 P C -0.290 176.973 177.300 -0.061 0.000 1.154 505 P CA 0.440 63.292 63.100 -0.413 0.000 0.837 505 P CB 0.375 31.827 31.700 -0.413 0.000 0.815 506 S N -0.319 115.447 115.700 0.110 0.000 2.569 506 S HA 0.768 5.238 4.470 0.000 0.000 0.280 506 S C -1.042 173.771 174.600 0.354 0.000 1.111 506 S CA -0.816 57.513 58.200 0.215 0.000 0.887 506 S CB 1.496 64.970 63.200 0.456 0.000 1.095 506 S HN 0.080 nan 8.310 nan 0.000 0.476 507 F N -1.022 119.000 119.950 0.120 0.000 2.608 507 F HA 0.771 5.298 4.527 0.000 0.000 0.309 507 F C -0.804 175.105 175.800 0.181 0.000 1.103 507 F CA -1.129 56.982 58.000 0.184 0.000 0.954 507 F CB 1.403 40.566 39.000 0.272 0.000 1.267 507 F HN 0.639 nan 8.300 nan 0.000 0.444 508 R N 3.140 123.786 120.500 0.243 0.000 2.540 508 R HA 0.663 5.003 4.340 0.000 0.000 0.287 508 R C -1.555 174.879 176.300 0.223 0.000 0.980 508 R CA -1.149 55.040 56.100 0.149 0.000 0.966 508 R CB 2.027 32.442 30.300 0.191 0.000 1.106 508 R HN 0.750 nan 8.270 nan 0.000 0.480 509 L N 4.457 125.758 121.223 0.130 0.000 2.372 509 L HA 0.416 4.756 4.340 0.000 0.000 0.274 509 L C -1.011 175.926 176.870 0.112 0.000 0.988 509 L CA -0.697 54.258 54.840 0.191 0.000 0.833 509 L CB 1.687 43.852 42.059 0.178 0.000 1.236 509 L HN 0.492 nan 8.230 nan 0.000 0.410 510 V N 2.496 122.506 119.914 0.160 0.000 2.513 510 V HA 0.992 5.112 4.120 0.000 0.000 0.299 510 V C -0.187 176.035 176.094 0.213 0.000 1.035 510 V CA -0.492 61.861 62.300 0.088 0.000 0.889 510 V CB 1.297 33.113 31.823 -0.012 0.000 0.988 510 V HN 0.916 nan 8.190 nan 0.000 0.440 511 A N 4.812 127.749 122.820 0.195 0.000 2.374 511 A HA 0.932 5.253 4.320 0.000 0.000 0.305 511 A C -1.141 176.646 177.584 0.338 0.000 1.053 511 A CA -0.652 51.602 52.037 0.362 0.000 0.726 511 A CB 1.609 20.923 19.000 0.524 0.000 1.229 511 A HN 1.967 nan 8.150 nan 0.000 0.431 512 Y N 0.312 120.766 120.300 0.258 0.000 2.524 512 Y HA 0.796 5.346 4.550 0.000 0.000 0.347 512 Y C -1.222 174.827 175.900 0.248 0.000 1.005 512 Y CA -1.604 56.587 58.100 0.151 0.000 1.025 512 Y CB 1.098 39.588 38.460 0.050 0.000 1.275 512 Y HN 0.909 nan 8.280 nan 0.000 0.460 513 Y N -0.009 120.330 120.300 0.066 0.000 2.499 513 Y HA 0.820 5.370 4.550 0.000 0.000 0.347 513 Y C -0.957 174.883 175.900 -0.100 0.000 0.987 513 Y CA -1.224 56.768 58.100 -0.179 0.000 1.044 513 Y CB 1.981 40.312 38.460 -0.214 0.000 1.245 513 Y HN 0.895 nan 8.280 nan 0.000 0.461 514 T N 5.033 119.522 114.554 -0.109 0.000 2.893 514 T HA 0.776 5.126 4.350 0.000 0.000 0.293 514 T C -1.233 173.390 174.700 -0.128 0.000 1.027 514 T CA -0.584 61.438 62.100 -0.131 0.000 0.988 514 T CB 0.719 69.495 68.868 -0.153 0.000 1.043 514 T HN 1.059 nan 8.240 nan 0.000 0.461 515 L N 1.572 122.740 121.223 -0.091 0.000 2.654 515 L HA 0.755 5.095 4.340 0.000 0.000 0.257 515 L C -1.445 175.367 176.870 -0.096 0.000 1.093 515 L CA -1.393 53.396 54.840 -0.085 0.000 0.903 515 L CB 1.661 43.691 42.059 -0.048 0.000 1.520 515 L HN 0.500 nan 8.230 nan 0.000 0.402 516 I N 1.280 121.796 120.570 -0.090 0.000 3.207 516 I HA 0.492 4.662 4.170 0.000 0.000 0.343 516 I C 1.034 177.039 176.117 -0.186 0.000 1.378 516 I CA 0.031 61.267 61.300 -0.108 0.000 1.004 516 I CB 0.192 38.154 38.000 -0.064 0.000 1.836 516 I HN 0.751 nan 8.210 nan 0.000 0.513 517 G N 1.307 109.916 108.800 -0.318 0.000 2.447 517 G HA2 0.484 4.445 3.960 0.000 0.000 0.269 517 G HA3 0.484 4.445 3.960 0.000 0.000 0.269 517 G C 0.593 175.139 174.900 -0.591 0.000 1.455 517 G CA 0.081 44.691 45.100 -0.815 0.000 1.061 517 G HN 0.782 nan 8.290 nan 0.000 0.545 518 A N -1.869 120.613 122.820 -0.564 0.000 6.217 518 A HA -0.185 4.135 4.320 0.000 0.000 0.588 518 A C 2.374 179.892 177.584 -0.110 0.000 1.865 518 A CA 2.454 54.369 52.037 -0.204 0.000 1.920 518 A CB -1.602 17.315 19.000 -0.138 0.000 1.380 518 A HN 2.433 nan 8.150 nan 0.000 0.684 519 S N -0.669 115.001 115.700 -0.050 0.000 2.434 519 S HA 0.107 4.577 4.470 0.000 0.000 0.250 519 S C 1.763 176.346 174.600 -0.029 0.000 1.102 519 S CA 2.445 60.630 58.200 -0.024 0.000 1.104 519 S CB -0.716 62.471 63.200 -0.023 0.000 0.957 519 S HN 2.902 nan 8.310 nan 0.000 0.456 520 G N 0.812 109.579 108.800 -0.055 0.000 2.299 520 G HA2 0.364 4.325 3.960 0.000 0.000 0.219 520 G HA3 0.364 4.325 3.960 0.000 0.000 0.219 520 G C -1.040 173.826 174.900 -0.056 0.000 2.786 520 G CA -0.283 44.787 45.100 -0.051 0.000 1.025 520 G HN 1.050 nan 8.290 nan 0.000 0.582 521 Q N 0.107 119.861 119.800 -0.078 0.000 2.520 521 Q HA 0.474 4.814 4.340 0.000 0.000 0.237 521 Q C -0.374 175.566 176.000 -0.100 0.000 0.875 521 Q CA -1.361 54.396 55.803 -0.077 0.000 1.028 521 Q CB 1.398 30.093 28.738 -0.072 0.000 1.534 521 Q HN 0.333 nan 8.270 nan 0.000 0.471 522 R N 1.972 122.418 120.500 -0.089 0.000 2.638 522 R HA -0.051 4.289 4.340 0.000 0.000 0.351 522 R C -0.670 175.538 176.300 -0.154 0.000 0.871 522 R CA 0.918 56.956 56.100 -0.104 0.000 1.091 522 R CB 0.077 30.332 30.300 -0.074 0.000 0.900 522 R HN 0.715 nan 8.270 nan 0.000 0.405 523 E N 2.785 122.877 120.200 -0.179 0.000 2.214 523 E HA 0.408 4.758 4.350 0.000 0.000 0.274 523 E C -1.194 175.223 176.600 -0.306 0.000 0.977 523 E CA -0.959 55.291 56.400 -0.250 0.000 0.827 523 E CB 1.238 30.815 29.700 -0.205 0.000 1.130 523 E HN 0.338 nan 8.360 nan 0.000 0.394 524 V N 4.183 123.812 119.914 -0.476 0.000 2.531 524 V HA 0.401 4.522 4.120 0.000 0.000 0.301 524 V C -0.694 175.169 176.094 -0.384 0.000 1.034 524 V CA -0.754 61.261 62.300 -0.475 0.000 0.865 524 V CB 1.784 33.224 31.823 -0.637 0.000 0.995 524 V HN 0.497 nan 8.190 nan 0.000 0.424 525 V N 3.479 123.154 119.914 -0.397 0.000 2.638 525 V HA 0.972 5.092 4.120 0.000 0.000 0.306 525 V C 0.075 176.046 176.094 -0.206 0.000 1.052 525 V CA -0.203 61.916 62.300 -0.300 0.000 0.885 525 V CB 1.699 33.179 31.823 -0.571 0.000 0.999 525 V HN 1.102 nan 8.190 nan 0.000 0.424 526 A N 3.255 126.065 122.820 -0.016 0.000 2.564 526 A HA 0.980 5.300 4.320 0.000 0.000 0.288 526 A C -1.682 175.831 177.584 -0.119 0.000 1.164 526 A CA -0.463 51.554 52.037 -0.034 0.000 0.712 526 A CB 2.252 21.160 19.000 -0.153 0.000 1.303 526 A HN 0.780 nan 8.150 nan 0.000 0.418 527 D N -1.303 119.023 120.400 -0.123 0.000 2.663 527 D HA 0.565 5.206 4.640 0.000 0.000 0.233 527 D C -0.949 175.274 176.300 -0.128 0.000 1.240 527 D CA 0.521 54.434 54.000 -0.144 0.000 0.774 527 D CB 1.885 42.599 40.800 -0.144 0.000 1.443 527 D HN 0.931 nan 8.370 nan 0.000 0.441 528 S N 0.399 116.031 115.700 -0.113 0.000 2.570 528 S HA 0.825 5.295 4.470 0.000 0.000 0.286 528 S C -1.313 173.242 174.600 -0.075 0.000 1.099 528 S CA -0.809 57.345 58.200 -0.076 0.000 0.913 528 S CB 1.886 65.056 63.200 -0.049 0.000 1.085 528 S HN 0.834 nan 8.310 nan 0.000 0.480 529 V N 2.480 122.357 119.914 -0.062 0.000 2.655 529 V HA 0.600 4.720 4.120 0.000 0.000 0.301 529 V C -1.817 174.243 176.094 -0.056 0.000 1.082 529 V CA -0.550 61.702 62.300 -0.080 0.000 0.899 529 V CB 1.276 32.988 31.823 -0.184 0.000 1.014 529 V HN 1.068 nan 8.190 nan 0.000 0.429 530 W N 7.148 128.333 121.300 -0.192 0.000 2.316 530 W HA 0.727 5.388 4.660 0.000 0.000 0.321 530 W C -1.152 175.167 176.519 -0.332 0.000 1.203 530 W CA -0.263 56.937 57.345 -0.242 0.000 1.214 530 W CB 1.480 30.850 29.460 -0.152 0.000 1.169 530 W HN 0.515 nan 8.180 nan 0.000 0.561 531 V N 6.148 125.242 119.914 -1.367 0.000 2.686 531 V HA 0.146 4.266 4.120 0.000 0.000 0.306 531 V C -0.834 174.421 176.094 -1.398 0.000 1.065 531 V CA -0.939 60.544 62.300 -1.361 0.000 0.894 531 V CB 1.609 32.724 31.823 -1.181 0.000 1.004 531 V HN 0.558 nan 8.190 nan 0.000 0.424 532 D N 2.726 122.449 120.400 -1.129 0.000 2.225 532 D HA 0.648 5.288 4.640 0.000 0.000 0.249 532 D C -0.661 175.479 176.300 -0.268 0.000 1.052 532 D CA -0.120 53.508 54.000 -0.620 0.000 0.909 532 D CB 1.857 42.362 40.800 -0.493 0.000 1.186 532 D HN 0.311 nan 8.370 nan 0.000 0.431 533 V N 2.267 122.110 119.914 -0.119 0.000 2.919 533 V HA 0.294 4.414 4.120 0.000 0.000 0.316 533 V C -0.111 175.926 176.094 -0.095 0.000 1.077 533 V CA -1.161 61.101 62.300 -0.062 0.000 0.977 533 V CB 1.694 33.522 31.823 0.009 0.000 1.039 533 V HN 0.517 nan 8.190 nan 0.000 0.441 534 K N 2.774 123.128 120.400 -0.078 0.000 2.161 534 K HA -0.023 4.297 4.320 0.000 0.000 0.260 534 K C -0.252 176.282 176.600 -0.111 0.000 1.158 534 K CA 0.343 56.589 56.287 -0.069 0.000 1.172 534 K CB -1.088 31.386 32.500 -0.044 0.000 0.917 534 K HN 0.532 nan 8.250 nan 0.000 0.410 535 D N 2.701 123.017 120.400 -0.140 0.000 2.389 535 D HA 0.029 4.669 4.640 0.000 0.000 0.263 535 D C -0.051 176.177 176.300 -0.119 0.000 1.255 535 D CA 0.405 54.239 54.000 -0.276 0.000 0.914 535 D CB 0.462 41.123 40.800 -0.232 0.000 1.116 535 D HN 0.643 nan 8.370 nan 0.000 0.502 536 S N 0.649 116.291 115.700 -0.097 0.000 2.757 536 S HA 0.387 4.857 4.470 0.000 0.000 0.285 536 S C -0.457 174.376 174.600 0.388 0.000 1.196 536 S CA -0.939 57.359 58.200 0.164 0.000 0.856 536 S CB 0.627 63.872 63.200 0.074 0.000 1.212 536 S HN 0.462 nan 8.310 nan 0.000 0.516 537 C N 1.836 121.311 119.300 0.292 0.000 2.662 537 C HA 0.321 4.781 4.460 0.000 0.000 0.420 537 C C 2.396 177.532 174.990 0.243 0.000 1.314 537 C CA -0.377 58.805 59.018 0.274 0.000 1.963 537 C CB -0.155 27.656 27.740 0.118 0.000 2.686 537 C HN 0.641 nan 8.230 nan 0.000 0.609 538 V N 3.483 123.569 119.914 0.287 0.000 2.343 538 V HA -0.050 4.070 4.120 0.000 0.000 0.247 538 V C 1.837 178.003 176.094 0.120 0.000 1.051 538 V CA 2.464 64.888 62.300 0.207 0.000 1.036 538 V CB -1.302 30.649 31.823 0.213 0.000 0.654 538 V HN 1.112 nan 8.190 nan 0.000 0.451 539 G N -0.697 108.161 108.800 0.097 0.000 3.387 539 G HA2 0.510 4.471 3.960 0.000 0.000 0.195 539 G HA3 0.510 4.471 3.960 0.000 0.000 0.195 539 G C -0.142 174.793 174.900 0.058 0.000 1.853 539 G CA 0.628 45.769 45.100 0.068 0.000 0.879 539 G HN 0.775 nan 8.290 nan 0.000 0.651 540 S N -1.770 113.956 115.700 0.044 0.000 2.558 540 S HA 0.565 5.035 4.470 0.000 0.000 0.277 540 S C -1.894 172.721 174.600 0.024 0.000 1.143 540 S CA -0.622 57.599 58.200 0.035 0.000 0.865 540 S CB 1.813 65.033 63.200 0.034 0.000 1.102 540 S HN 1.338 nan 8.310 nan 0.000 0.454 541 L N 1.969 123.202 121.223 0.017 0.000 2.661 541 L HA 0.744 5.085 4.340 0.000 0.000 0.263 541 L C -1.814 175.061 176.870 0.008 0.000 0.956 541 L CA -0.149 54.697 54.840 0.010 0.000 0.918 541 L CB 1.585 43.644 42.059 -0.001 0.000 1.280 541 L HN 0.801 nan 8.230 nan 0.000 0.416 542 V N 4.629 124.549 119.914 0.011 0.000 2.815 542 V HA 0.739 4.859 4.120 0.000 0.000 0.314 542 V C -0.662 175.437 176.094 0.009 0.000 1.064 542 V CA -0.791 61.515 62.300 0.009 0.000 0.952 542 V CB 2.211 34.041 31.823 0.011 0.000 1.020 542 V HN 0.408 nan 8.190 nan 0.000 0.439 543 V N 4.102 124.021 119.914 0.008 0.000 2.439 543 V HA 0.394 4.514 4.120 0.000 0.000 0.277 543 V C -0.107 175.992 176.094 0.009 0.000 1.008 543 V CA -0.744 61.562 62.300 0.009 0.000 0.846 543 V CB 1.065 32.894 31.823 0.009 0.000 1.031 543 V HN 1.025 nan 8.190 nan 0.000 0.441 544 K N 1.524 121.930 120.400 0.010 0.000 2.280 544 K HA 0.800 5.120 4.320 0.000 0.000 0.234 544 K C -0.005 176.602 176.600 0.011 0.000 1.028 544 K CA -0.634 55.658 56.287 0.010 0.000 0.882 544 K CB 1.857 34.362 32.500 0.009 0.000 1.194 544 K HN 0.337 nan 8.250 nan 0.000 0.458 545 S N -0.859 114.847 115.700 0.011 0.000 2.565 545 S HA 0.237 4.707 4.470 0.000 0.000 0.276 545 S C 0.990 175.597 174.600 0.011 0.000 1.326 545 S CA -0.208 57.998 58.200 0.012 0.000 1.045 545 S CB 0.535 63.742 63.200 0.012 0.000 0.918 545 S HN 0.736 nan 8.310 nan 0.000 0.505 546 G N 2.722 111.529 108.800 0.011 0.000 2.494 546 G HA2 0.050 4.010 3.960 0.000 0.000 0.216 546 G HA3 0.050 4.010 3.960 0.000 0.000 0.216 546 G C 0.479 175.384 174.900 0.009 0.000 1.140 546 G CA 0.078 45.184 45.100 0.010 0.000 0.801 546 G HN 0.640 nan 8.290 nan 0.000 0.536 547 Q N 0.885 120.690 119.800 0.009 0.000 2.428 547 Q HA 0.243 4.583 4.340 0.000 0.000 0.276 547 Q C 1.053 177.058 176.000 0.008 0.000 1.059 547 Q CA 0.281 56.089 55.803 0.008 0.000 0.923 547 Q CB 0.802 29.546 28.738 0.009 0.000 1.283 547 Q HN 0.273 nan 8.270 nan 0.000 0.447 548 S N 1.542 117.246 115.700 0.007 0.000 3.811 548 S HA 0.097 4.567 4.470 0.000 0.000 0.205 548 S C 0.607 175.212 174.600 0.007 0.000 1.445 548 S CA 0.247 58.451 58.200 0.007 0.000 1.097 548 S CB -0.405 62.798 63.200 0.006 0.000 1.350 548 S HN 0.794 nan 8.310 nan 0.000 0.471 549 E N 0.814 121.019 120.200 0.008 0.000 3.871 549 E HA -0.443 3.907 4.350 0.000 0.000 0.238 549 E C 0.061 176.666 176.600 0.009 0.000 1.237 549 E CA 1.958 58.364 56.400 0.009 0.000 2.074 549 E CB -1.970 27.734 29.700 0.008 0.000 1.805 549 E HN 0.597 nan 8.360 nan 0.000 0.314 550 D N 0.034 120.439 120.400 0.008 0.000 3.307 550 D HA -0.240 4.400 4.640 0.000 0.000 0.197 550 D C 0.741 177.047 176.300 0.009 0.000 1.363 550 D CA 2.342 56.346 54.000 0.007 0.000 1.100 550 D CB -1.043 39.761 40.800 0.007 0.000 0.616 550 D HN 0.702 nan 8.370 nan 0.000 0.719 551 R N 0.381 120.886 120.500 0.009 0.000 2.751 551 R HA 0.601 4.941 4.340 0.000 0.000 0.217 551 R C 0.070 176.378 176.300 0.013 0.000 1.436 551 R CA -0.795 55.311 56.100 0.010 0.000 1.006 551 R CB 0.254 30.558 30.300 0.008 0.000 2.065 551 R HN 0.412 nan 8.270 nan 0.000 0.525 552 Q N 0.597 120.406 119.800 0.014 0.000 2.230 552 Q HA 0.372 4.712 4.340 0.000 0.000 0.248 552 Q C -2.132 173.874 176.000 0.010 0.000 0.915 552 Q CA -2.068 53.745 55.803 0.017 0.000 0.900 552 Q CB 1.348 30.100 28.738 0.024 0.000 1.229 552 Q HN 0.408 nan 8.270 nan 0.000 0.439 553 P HA 0.058 nan 4.420 nan 0.000 0.272 553 P C -1.125 176.174 177.300 -0.002 0.000 1.254 553 P CA -0.249 62.854 63.100 0.006 0.000 0.795 553 P CB 0.525 32.231 31.700 0.011 0.000 1.022 554 V N 1.071 120.981 119.914 -0.007 0.000 2.656 554 V HA 0.310 4.430 4.120 0.000 0.000 0.307 554 V C -2.356 173.729 176.094 -0.015 0.000 1.051 554 V CA -1.945 60.345 62.300 -0.016 0.000 0.893 554 V CB 1.542 33.354 31.823 -0.018 0.000 0.999 554 V HN 0.494 nan 8.190 nan 0.000 0.426 555 P HA 0.166 nan 4.420 nan 0.000 0.253 555 P C 0.669 177.961 177.300 -0.013 0.000 1.159 555 P CA 1.502 64.591 63.100 -0.018 0.000 0.779 555 P CB -0.061 31.622 31.700 -0.029 0.000 0.745 556 G N 1.697 110.493 108.800 -0.007 0.000 2.270 556 G HA2 -0.185 3.776 3.960 0.000 0.000 0.224 556 G HA3 -0.185 3.776 3.960 0.000 0.000 0.224 556 G C -0.373 174.525 174.900 -0.004 0.000 1.079 556 G CA -0.442 44.655 45.100 -0.005 0.000 0.807 556 G HN 0.670 nan 8.290 nan 0.000 0.492 557 Q N -0.623 119.176 119.800 -0.002 0.000 2.413 557 Q HA 0.576 4.916 4.340 0.000 0.000 0.276 557 Q C -0.187 175.814 176.000 0.002 0.000 1.099 557 Q CA -0.832 54.970 55.803 -0.001 0.000 0.814 557 Q CB 1.333 30.070 28.738 -0.001 0.000 1.379 557 Q HN 0.446 nan 8.270 nan 0.000 0.436 558 Q N 2.852 122.653 119.800 0.002 0.000 2.267 558 Q HA 0.413 4.753 4.340 0.000 0.000 0.255 558 Q C -0.583 175.420 176.000 0.005 0.000 0.923 558 Q CA -0.018 55.787 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 0.559 nan 8.270 nan 0.000 0.417 559 M N -0.759 118.845 119.600 0.007 0.000 2.386 559 M HA 0.525 5.005 4.480 0.000 0.000 0.293 559 M C -0.993 175.313 176.300 0.009 0.000 1.120 559 M CA -0.805 54.500 55.300 0.009 0.000 0.909 559 M CB 2.119 34.726 32.600 0.011 0.000 1.661 559 M HN 0.190 nan 8.290 nan 0.000 0.452 560 T N 3.282 117.841 114.554 0.009 0.000 2.913 560 T HA 0.519 4.869 4.350 0.000 0.000 0.297 560 T C -0.831 173.875 174.700 0.011 0.000 1.029 560 T CA -0.312 61.793 62.100 0.009 0.000 1.104 560 T CB 0.896 69.769 68.868 0.009 0.000 0.964 560 T HN 0.578 nan 8.240 nan 0.000 0.532 561 L N 3.452 124.681 121.223 0.011 0.000 2.388 561 L HA 0.438 4.778 4.340 0.000 0.000 0.267 561 L C -0.198 176.679 176.870 0.012 0.000 0.995 561 L CA -0.495 54.353 54.840 0.012 0.000 0.864 561 L CB 1.042 43.109 42.059 0.014 0.000 1.216 561 L HN 0.486 nan 8.230 nan 0.000 0.430 562 K N 5.312 125.720 120.400 0.012 0.000 2.276 562 K HA 0.511 4.831 4.320 0.000 0.000 0.283 562 K C -1.069 175.539 176.600 0.013 0.000 1.044 562 K CA -0.237 56.057 56.287 0.012 0.000 0.944 562 K CB 0.565 33.072 32.500 0.012 0.000 1.012 562 K HN 0.666 nan 8.250 nan 0.000 0.472 563 I N 4.440 125.018 120.570 0.014 0.000 2.439 563 I HA 0.163 4.333 4.170 0.000 0.000 0.285 563 I C -0.696 175.431 176.117 0.017 0.000 1.021 563 I CA -0.574 60.735 61.300 0.015 0.000 1.091 563 I CB 1.869 39.878 38.000 0.014 0.000 1.242 563 I HN 0.585 nan 8.210 nan 0.000 0.439 564 E N 5.367 125.577 120.200 0.017 0.000 2.063 564 E HA 0.534 4.884 4.350 0.000 0.000 0.265 564 E C 0.052 176.666 176.600 0.023 0.000 0.919 564 E CA -0.365 56.048 56.400 0.021 0.000 0.756 564 E CB 1.933 31.645 29.700 0.019 0.000 1.120 564 E HN 0.794 nan 8.360 nan 0.000 0.414 565 G N 2.262 111.078 108.800 0.027 0.000 3.176 565 G HA2 0.260 4.220 3.960 0.000 0.000 0.272 565 G HA3 0.260 4.220 3.960 0.000 0.000 0.272 565 G C -0.817 174.108 174.900 0.042 0.000 1.349 565 G CA -0.638 44.479 45.100 0.028 0.000 0.953 565 G HN 0.275 nan 8.290 nan 0.000 0.559 566 D N -0.299 120.127 120.400 0.043 0.000 2.329 566 D HA 0.315 4.955 4.640 0.000 0.000 0.246 566 D C -0.012 176.335 176.300 0.080 0.000 1.111 566 D CA 0.028 54.068 54.000 0.066 0.000 0.941 566 D CB 1.190 42.025 40.800 0.058 0.000 1.169 566 D HN 0.386 nan 8.370 nan 0.000 0.441 567 H N -0.562 118.519 119.070 0.018 0.000 2.815 567 H HA 0.326 4.882 4.556 0.000 0.000 0.350 567 H C 1.406 176.745 175.328 0.018 0.000 1.080 567 H CA 1.206 57.264 56.048 0.017 0.000 1.433 567 H CB 0.454 30.225 29.762 0.016 0.000 1.432 567 H HN 0.575 nan 8.280 nan 0.000 0.592 568 G N 2.339 110.744 108.800 -0.658 0.000 2.175 568 G HA2 -0.268 3.692 3.960 0.000 0.000 0.265 568 G HA3 -0.268 3.692 3.960 0.000 0.000 0.265 568 G C 0.317 175.122 174.900 -0.159 0.000 0.979 568 G CA 0.458 45.299 45.100 -0.432 0.000 0.663 568 G HN 0.950 nan 8.290 nan 0.000 0.533 569 A N -0.317 122.443 122.820 -0.099 0.000 2.327 569 A HA 0.761 5.082 4.320 0.000 0.000 0.283 569 A C 0.621 178.188 177.584 -0.028 0.000 1.127 569 A CA 0.221 52.238 52.037 -0.034 0.000 0.810 569 A CB 0.487 19.484 19.000 -0.005 0.000 1.066 569 A HN 0.790 nan 8.150 nan 0.000 0.492 570 R N 1.881 122.379 120.500 -0.003 0.000 2.297 570 R HA 0.520 4.861 4.340 0.000 0.000 0.308 570 R C -1.614 174.702 176.300 0.027 0.000 1.029 570 R CA -0.252 55.852 56.100 0.005 0.000 0.929 570 R CB 0.805 31.111 30.300 0.010 0.000 1.046 570 R HN 0.422 nan 8.270 nan 0.000 0.461 571 V N 6.644 126.570 119.914 0.021 0.000 2.326 571 V HA 0.215 4.335 4.120 0.000 0.000 0.281 571 V C -0.235 175.882 176.094 0.039 0.000 1.015 571 V CA -0.805 61.514 62.300 0.032 0.000 0.823 571 V CB 1.350 33.185 31.823 0.020 0.000 1.009 571 V HN 0.642 nan 8.190 nan 0.000 0.436 572 V N 4.842 124.796 119.914 0.067 0.000 2.432 572 V HA 0.654 4.774 4.120 0.000 0.000 0.275 572 V C -0.170 175.963 176.094 0.066 0.000 1.043 572 V CA -0.406 61.932 62.300 0.064 0.000 0.925 572 V CB 1.007 32.884 31.823 0.089 0.000 0.985 572 V HN 0.606 nan 8.190 nan 0.000 0.466 573 L N 4.746 125.996 121.223 0.046 0.000 2.335 573 L HA 0.933 5.273 4.340 0.000 0.000 0.268 573 L C -0.255 176.645 176.870 0.051 0.000 1.016 573 L CA -1.095 53.772 54.840 0.045 0.000 0.805 573 L CB 2.009 44.087 42.059 0.032 0.000 1.311 573 L HN 0.654 nan 8.230 nan 0.000 0.456 574 V N 0.169 120.116 119.914 0.054 0.000 2.881 574 V HA 0.622 4.742 4.120 0.000 0.000 0.275 574 V C -1.593 174.541 176.094 0.067 0.000 1.518 574 V CA -0.326 62.011 62.300 0.061 0.000 0.936 574 V CB 1.779 33.649 31.823 0.078 0.000 1.165 574 V HN 0.867 nan 8.190 nan 0.000 0.447 575 A N 5.964 128.821 122.820 0.062 0.000 2.304 575 A HA 0.948 5.268 4.320 0.000 0.000 0.323 575 A C -0.993 176.640 177.584 0.081 0.000 1.195 575 A CA -0.530 51.549 52.037 0.070 0.000 0.826 575 A CB 1.825 20.857 19.000 0.054 0.000 1.184 575 A HN 1.489 nan 8.150 nan 0.000 0.496 576 V N 2.355 122.342 119.914 0.122 0.000 2.638 576 V HA 0.273 4.393 4.120 0.000 0.000 0.306 576 V C -0.602 175.591 176.094 0.165 0.000 1.052 576 V CA -0.857 61.519 62.300 0.126 0.000 0.885 576 V CB 1.946 33.875 31.823 0.177 0.000 0.999 576 V HN 0.972 nan 8.190 nan 0.000 0.424 577 D N 3.134 123.588 120.400 0.090 0.000 2.417 577 D HA 0.107 4.747 4.640 0.000 0.000 0.250 577 D C 1.081 177.485 176.300 0.174 0.000 1.166 577 D CA 0.157 54.221 54.000 0.107 0.000 0.881 577 D CB 1.250 42.086 40.800 0.060 0.000 1.164 577 D HN 0.514 nan 8.370 nan 0.000 0.467 578 K N 2.216 122.754 120.400 0.231 0.000 2.360 578 K HA -0.069 4.251 4.320 0.000 0.000 0.201 578 K C 1.784 178.519 176.600 0.226 0.000 1.046 578 K CA 0.805 57.289 56.287 0.327 0.000 0.945 578 K CB 0.068 32.677 32.500 0.182 0.000 0.750 578 K HN 0.523 nan 8.250 nan 0.000 0.464 579 G N 0.809 109.679 108.800 0.117 0.000 2.498 579 G HA2 -0.167 3.793 3.960 0.000 0.000 0.219 579 G HA3 -0.167 3.793 3.960 0.000 0.000 0.219 579 G C 1.441 176.325 174.900 -0.026 0.000 1.119 579 G CA 0.332 45.461 45.100 0.048 0.000 0.766 579 G HN 0.087 nan 8.290 nan 0.000 0.552 580 V N 0.166 120.028 119.914 -0.088 0.000 2.407 580 V HA -0.020 4.100 4.120 0.000 0.000 0.245 580 V C 2.291 178.186 176.094 -0.333 0.000 1.041 580 V CA 1.135 63.259 62.300 -0.293 0.000 1.040 580 V CB -0.588 30.947 31.823 -0.481 0.000 0.671 580 V HN 0.359 nan 8.190 nan 0.000 0.455 581 F N -0.274 119.633 119.950 -0.072 0.000 2.546 581 F HA -0.052 4.475 4.527 0.000 0.000 0.298 581 F C 2.097 177.855 175.800 -0.069 0.000 1.120 581 F CA 0.627 58.590 58.000 -0.062 0.000 1.456 581 F CB -0.846 38.134 39.000 -0.033 0.000 1.088 581 F HN -0.036 nan 8.300 nan 0.000 0.572 582 V N -0.455 119.491 119.914 0.054 0.000 2.626 582 V HA -0.226 3.894 4.120 0.000 0.000 0.252 582 V C 1.920 177.975 176.094 -0.065 0.000 1.067 582 V CA 1.378 63.672 62.300 -0.009 0.000 1.081 582 V CB -0.391 31.403 31.823 -0.048 0.000 0.686 582 V HN 0.247 nan 8.190 nan 0.000 0.468 583 L N -0.546 120.599 121.223 -0.130 0.000 2.408 583 L HA 0.320 4.661 4.340 0.000 0.000 0.215 583 L C 0.689 177.475 176.870 -0.140 0.000 1.081 583 L CA 0.818 55.552 54.840 -0.177 0.000 0.840 583 L CB -0.127 41.730 42.059 -0.337 0.000 1.002 583 L HN 0.367 nan 8.230 nan 0.000 0.468 584 N N 0.169 118.799 118.700 -0.117 0.000 2.648 584 N HA 0.116 4.856 4.740 0.000 0.000 0.272 584 N C -0.694 174.833 175.510 0.028 0.000 1.118 584 N CA -0.172 52.844 53.050 -0.058 0.000 0.973 584 N CB 1.126 39.557 38.487 -0.094 0.000 1.565 584 N HN 0.177 nan 8.380 nan 0.000 0.542 585 K N 1.348 121.812 120.400 0.106 0.000 2.618 585 K HA 0.377 4.697 4.320 0.000 0.000 0.207 585 K C -0.354 176.340 176.600 0.158 0.000 1.058 585 K CA -0.419 56.003 56.287 0.225 0.000 1.086 585 K CB 0.474 33.085 32.500 0.184 0.000 0.827 585 K HN 0.183 nan 8.250 nan 0.000 0.481 586 K N 1.028 121.499 120.400 0.117 0.000 2.123 586 K HA 0.309 4.629 4.320 0.000 0.000 0.248 586 K C -0.396 176.278 176.600 0.123 0.000 0.969 586 K CA -0.779 55.569 56.287 0.101 0.000 0.882 586 K CB 0.984 33.529 32.500 0.074 0.000 1.080 586 K HN 0.259 nan 8.250 nan 0.000 0.441 587 N N 0.370 119.140 118.700 0.117 0.000 2.850 587 N HA -0.186 4.554 4.740 0.000 0.000 0.249 587 N C -1.188 174.408 175.510 0.143 0.000 1.060 587 N CA 0.456 53.586 53.050 0.133 0.000 0.825 587 N CB -0.807 37.772 38.487 0.155 0.000 1.132 587 N HN 0.424 nan 8.380 nan 0.000 0.564 588 K N 1.146 121.628 120.400 0.138 0.000 2.379 588 K HA 0.198 4.518 4.320 0.000 0.000 0.284 588 K C 0.004 176.655 176.600 0.085 0.000 1.044 588 K CA -0.505 55.865 56.287 0.139 0.000 0.974 588 K CB 0.838 33.422 32.500 0.141 0.000 0.962 588 K HN 0.054 nan 8.250 nan 0.000 0.474 589 L N 3.510 124.777 121.223 0.075 0.000 2.433 589 L HA 0.083 4.423 4.340 0.000 0.000 0.275 589 L C -0.627 176.214 176.870 -0.049 0.000 1.128 589 L CA 1.113 55.958 54.840 0.009 0.000 0.875 589 L CB 0.314 42.374 42.059 0.002 0.000 1.171 589 L HN 0.557 nan 8.230 nan 0.000 0.463 590 T N 3.466 117.970 114.554 -0.082 0.000 2.900 590 T HA 0.187 4.537 4.350 0.000 0.000 0.295 590 T C 0.468 175.067 174.700 -0.168 0.000 1.044 590 T CA -0.274 61.769 62.100 -0.094 0.000 0.995 590 T CB 1.849 70.695 68.868 -0.038 0.000 1.072 590 T HN 0.554 nan 8.240 nan 0.000 0.473 591 Q N 1.539 121.240 119.800 -0.166 0.000 2.135 591 Q HA -0.096 4.244 4.340 0.000 0.000 0.204 591 Q C 2.351 178.264 176.000 -0.145 0.000 0.981 591 Q CA 2.172 57.834 55.803 -0.236 0.000 0.856 591 Q CB -0.533 28.130 28.738 -0.124 0.000 0.902 591 Q HN 0.657 nan 8.270 nan 0.000 0.425 592 S N -0.556 115.148 115.700 0.007 0.000 2.383 592 S HA -0.158 4.313 4.470 0.000 0.000 0.229 592 S C 1.608 176.250 174.600 0.069 0.000 1.030 592 S CA 1.459 59.725 58.200 0.110 0.000 1.002 592 S CB -0.119 63.136 63.200 0.092 0.000 0.829 592 S HN 0.472 nan 8.310 nan 0.000 0.467 593 K N 0.300 120.693 120.400 -0.010 0.000 2.217 593 K HA 0.087 4.408 4.320 0.000 0.000 0.202 593 K C 1.937 178.512 176.600 -0.042 0.000 1.051 593 K CA 1.106 57.396 56.287 0.004 0.000 0.952 593 K CB -0.187 32.317 32.500 0.007 0.000 0.736 593 K HN 0.449 nan 8.250 nan 0.000 0.453 594 I N -0.443 119.975 120.570 -0.253 0.000 2.163 594 I HA -0.242 3.928 4.170 0.000 0.000 0.240 594 I C 1.931 177.895 176.117 -0.256 0.000 1.081 594 I CA 1.465 62.479 61.300 -0.477 0.000 1.353 594 I CB -0.340 37.073 38.000 -0.978 0.000 1.054 594 I HN 0.278 nan 8.210 nan 0.000 0.407 595 W N 1.203 122.458 121.300 -0.076 0.000 2.350 595 W HA -0.249 4.411 4.660 0.000 0.000 0.289 595 W C 2.294 178.826 176.519 0.021 0.000 1.215 595 W CA 0.718 58.051 57.345 -0.021 0.000 1.236 595 W CB -0.421 29.040 29.460 0.002 0.000 1.130 595 W HN 0.222 nan 8.180 nan 0.000 0.541 596 D N 0.292 120.832 120.400 0.232 0.000 2.123 596 D HA -0.182 4.458 4.640 0.000 0.000 0.196 596 D C 1.959 178.359 176.300 0.167 0.000 0.992 596 D CA 1.640 55.746 54.000 0.176 0.000 0.833 596 D CB -0.292 40.588 40.800 0.134 0.000 0.954 596 D HN -0.013 nan 8.370 nan 0.000 0.455 597 V N -0.124 119.890 119.914 0.167 0.000 2.358 597 V HA -0.173 3.947 4.120 0.000 0.000 0.246 597 V C 2.721 178.921 176.094 0.177 0.000 1.047 597 V CA 1.172 63.590 62.300 0.197 0.000 1.035 597 V CB -0.340 31.649 31.823 0.277 0.000 0.658 597 V HN 0.110 nan 8.190 nan 0.000 0.452 598 V N -0.139 119.817 119.914 0.069 0.000 2.295 598 V HA -0.223 3.897 4.120 0.000 0.000 0.246 598 V C 2.628 178.867 176.094 0.242 0.000 1.049 598 V CA 2.158 64.514 62.300 0.093 0.000 1.024 598 V CB -0.553 31.362 31.823 0.153 0.000 0.648 598 V HN 0.554 nan 8.190 nan 0.000 0.447 599 E N 0.840 121.177 120.200 0.229 0.000 2.107 599 E HA -0.147 4.203 4.350 0.000 0.000 0.191 599 E C 1.562 178.243 176.600 0.135 0.000 0.982 599 E CA 0.825 57.338 56.400 0.188 0.000 0.809 599 E CB -0.047 29.761 29.700 0.179 0.000 0.756 599 E HN 0.525 nan 8.360 nan 0.000 0.459 600 K N 0.024 120.506 120.400 0.136 0.000 3.225 600 K HA 0.152 4.472 4.320 0.000 0.000 0.282 600 K C 0.277 176.956 176.600 0.133 0.000 1.060 600 K CA 0.301 56.650 56.287 0.103 0.000 1.186 600 K CB 0.249 32.805 32.500 0.095 0.000 1.214 600 K HN 0.023 nan 8.250 nan 0.000 0.428 601 A N 0.264 123.179 122.820 0.159 0.000 2.736 601 A HA 0.061 4.381 4.320 0.000 0.000 0.222 601 A C -0.581 177.095 177.584 0.153 0.000 1.267 601 A CA -0.474 51.672 52.037 0.181 0.000 1.026 601 A CB 0.365 19.554 19.000 0.315 0.000 1.281 601 A HN 0.209 nan 8.150 nan 0.000 0.577 602 D N 0.689 121.164 120.400 0.124 0.000 2.449 602 D HA 0.137 4.777 4.640 0.000 0.000 0.236 602 D C 1.668 178.008 176.300 0.066 0.000 1.149 602 D CA 0.253 54.313 54.000 0.101 0.000 0.878 602 D CB 0.617 41.459 40.800 0.071 0.000 1.198 602 D HN 0.514 nan 8.370 nan 0.000 0.446 603 I N -1.240 119.370 120.570 0.066 0.000 3.291 603 I HA 0.197 4.367 4.170 0.000 0.000 0.279 603 I C 0.934 177.077 176.117 0.044 0.000 1.294 603 I CA -0.002 61.328 61.300 0.049 0.000 1.428 603 I CB -0.207 37.822 38.000 0.049 0.000 1.070 603 I HN 0.105 nan 8.210 nan 0.000 0.478 604 G N -0.283 108.539 108.800 0.037 0.000 2.389 604 G HA2 0.460 4.420 3.960 0.000 0.000 0.317 604 G HA3 0.460 4.420 3.960 0.000 0.000 0.317 604 G C -0.055 174.832 174.900 -0.021 0.000 1.137 604 G CA -0.403 44.708 45.100 0.019 0.000 0.870 604 G HN 0.309 nan 8.290 nan 0.000 0.496 605 c N -0.496 118.093 118.600 -0.018 0.000 2.503 605 c HA 0.284 4.854 4.570 0.000 0.000 0.344 605 c C 1.393 175.452 174.090 -0.051 0.000 1.610 605 c CA 0.331 56.638 56.329 -0.036 0.000 2.351 605 c CB -0.247 42.263 42.510 -0.001 0.000 2.044 605 c HN 0.624 nan 8.230 nan 0.000 0.680 606 T N 3.739 118.295 114.554 0.004 0.000 2.902 606 T HA 0.090 4.440 4.350 0.000 0.000 0.301 606 T C -1.670 173.030 174.700 -0.001 0.000 1.012 606 T CA 0.076 62.199 62.100 0.037 0.000 1.151 606 T CB 0.546 69.485 68.868 0.118 0.000 0.946 606 T HN 0.295 nan 8.240 nan 0.000 0.542 607 P HA 0.120 nan 4.420 nan 0.000 0.231 607 P C 0.474 177.830 177.300 0.095 0.000 1.158 607 P CA 0.668 63.768 63.100 -0.000 0.000 0.763 607 P CB -0.014 31.706 31.700 0.033 0.000 0.805 608 G N -2.670 106.187 108.800 0.096 0.000 2.352 608 G HA2 0.361 4.321 3.960 0.000 0.000 0.303 608 G HA3 0.361 4.321 3.960 0.000 0.000 0.303 608 G C -0.787 174.188 174.900 0.125 0.000 1.593 608 G CA -0.036 45.115 45.100 0.084 0.000 0.963 608 G HN 0.078 nan 8.290 nan 0.000 0.685 609 S N -1.618 114.119 115.700 0.062 0.000 3.795 609 S HA 0.425 4.896 4.470 0.000 0.000 0.682 609 S C 0.813 175.426 174.600 0.022 0.000 1.792 609 S CA 1.493 59.733 58.200 0.067 0.000 1.892 609 S CB -0.816 62.490 63.200 0.178 0.000 0.343 609 S HN 2.816 nan 8.310 nan 0.000 1.341 610 G N 0.727 109.423 108.800 -0.172 0.000 2.782 610 G HA2 0.584 4.544 3.960 0.000 0.000 0.304 610 G HA3 0.584 4.544 3.960 0.000 0.000 0.304 610 G C 0.086 174.302 174.900 -1.140 0.000 1.315 610 G CA 0.144 44.834 45.100 -0.684 0.000 0.791 610 G HN 1.022 nan 8.290 nan 0.000 0.519 611 K N -0.916 118.900 120.400 -0.974 0.000 2.365 611 K HA 0.226 4.546 4.320 0.000 0.000 0.197 611 K C 0.068 176.422 176.600 -0.411 0.000 1.042 611 K CA 1.329 57.284 56.287 -0.552 0.000 0.987 611 K CB 0.048 32.408 32.500 -0.233 0.000 0.779 611 K HN 0.507 nan 8.250 nan 0.000 0.484 612 D N -0.853 119.316 120.400 -0.385 0.000 2.970 612 D HA -0.068 4.572 4.640 0.000 0.000 0.344 612 D C 0.697 176.935 176.300 -0.102 0.000 1.365 612 D CA -0.698 53.006 54.000 -0.494 0.000 0.910 612 D CB -0.212 40.377 40.800 -0.351 0.000 1.445 612 D HN -0.014 nan 8.370 nan 0.000 0.532 613 Y N -0.712 119.548 120.300 -0.067 0.000 2.200 613 Y HA 0.318 4.868 4.550 0.000 0.000 0.290 613 Y C 2.046 178.059 175.900 0.189 0.000 1.137 613 Y CA 1.476 59.648 58.100 0.121 0.000 1.163 613 Y CB -0.979 37.505 38.460 0.041 0.000 0.988 613 Y HN 0.388 nan 8.280 nan 0.000 0.518 614 A N 0.755 123.065 122.820 -0.849 0.000 2.206 614 A HA 0.230 4.550 4.320 0.000 0.000 0.211 614 A C 2.221 179.722 177.584 -0.139 0.000 1.158 614 A CA 0.893 52.636 52.037 -0.490 0.000 0.761 614 A CB -1.259 17.290 19.000 -0.751 0.000 0.801 614 A HN 0.648 nan 8.150 nan 0.000 0.473 615 G N -0.896 107.822 108.800 -0.137 0.000 2.510 615 G HA2 0.084 4.044 3.960 0.000 0.000 0.212 615 G HA3 0.084 4.044 3.960 0.000 0.000 0.212 615 G C 1.347 176.228 174.900 -0.031 0.000 1.151 615 G CA 0.914 45.958 45.100 -0.093 0.000 0.817 615 G HN 0.219 nan 8.290 nan 0.000 0.534 616 V N 0.839 120.741 119.914 -0.020 0.000 2.392 616 V HA -0.151 3.969 4.120 0.000 0.000 0.249 616 V C 2.452 178.486 176.094 -0.099 0.000 1.059 616 V CA 1.546 63.797 62.300 -0.081 0.000 1.051 616 V CB -0.668 31.065 31.823 -0.151 0.000 0.658 616 V HN 0.305 nan 8.190 nan 0.000 0.455 617 F N 0.766 120.714 119.950 -0.003 0.000 2.039 617 F HA -0.156 4.371 4.527 0.000 0.000 0.294 617 F C 2.774 178.591 175.800 0.028 0.000 1.130 617 F CA 1.993 60.010 58.000 0.028 0.000 1.189 617 F CB -0.990 38.031 39.000 0.035 0.000 0.983 617 F HN -0.009 nan 8.300 nan 0.000 0.471 618 S N -0.186 115.640 115.700 0.210 0.000 2.383 618 S HA -0.209 4.261 4.470 0.000 0.000 0.229 618 S C 1.489 176.137 174.600 0.079 0.000 1.030 618 S CA 1.678 59.947 58.200 0.115 0.000 1.002 618 S CB -0.465 62.772 63.200 0.063 0.000 0.829 618 S HN 0.342 nan 8.310 nan 0.000 0.467 619 D N 1.288 121.722 120.400 0.057 0.000 2.224 619 D HA 0.120 4.760 4.640 0.000 0.000 0.205 619 D C 1.938 178.264 176.300 0.044 0.000 0.965 619 D CA 0.983 55.008 54.000 0.043 0.000 0.852 619 D CB -0.293 40.526 40.800 0.033 0.000 0.947 619 D HN 0.419 nan 8.370 nan 0.000 0.494 620 A N -0.389 122.462 122.820 0.051 0.000 1.984 620 A HA 0.437 4.757 4.320 0.000 0.000 0.214 620 A C 1.651 179.287 177.584 0.087 0.000 1.173 620 A CA 1.217 53.289 52.037 0.058 0.000 0.673 620 A CB 0.089 19.112 19.000 0.038 0.000 0.830 620 A HN 0.257 nan 8.150 nan 0.000 0.453 621 G N -1.281 107.583 108.800 0.107 0.000 2.247 621 G HA2 0.017 3.977 3.960 0.000 0.000 0.111 621 G HA3 0.017 3.977 3.960 0.000 0.000 0.111 621 G C -0.446 174.543 174.900 0.148 0.000 1.045 621 G CA -0.093 45.074 45.100 0.112 0.000 0.715 621 G HN 0.403 nan 8.290 nan 0.000 0.485 622 L N 0.332 121.678 121.223 0.204 0.000 2.393 622 L HA 0.831 5.171 4.340 0.000 0.000 0.260 622 L C 0.137 177.153 176.870 0.244 0.000 1.002 622 L CA -0.754 54.244 54.840 0.263 0.000 0.818 622 L CB 2.652 44.958 42.059 0.413 0.000 1.369 622 L HN 0.326 nan 8.230 nan 0.000 0.412 623 T N -1.189 113.456 114.554 0.152 0.000 2.912 623 T HA 0.431 4.781 4.350 0.000 0.000 0.326 623 T C -0.837 173.822 174.700 -0.067 0.000 1.080 623 T CA -0.349 61.777 62.100 0.042 0.000 1.000 623 T CB 0.430 69.316 68.868 0.030 0.000 1.008 623 T HN 0.279 nan 8.240 nan 0.000 0.473 624 F N 3.391 123.061 119.950 -0.466 0.000 2.420 624 F HA 0.594 5.121 4.527 0.000 0.000 0.352 624 F C -0.188 175.412 175.800 -0.334 0.000 1.108 624 F CA 0.102 57.724 58.000 -0.630 0.000 1.162 624 F CB 1.029 39.125 39.000 -1.506 0.000 1.118 624 F HN 0.639 nan 8.300 nan 0.000 0.510 625 T N 4.523 118.614 114.554 -0.772 0.000 2.971 625 T HA 0.496 4.846 4.350 0.000 0.000 0.304 625 T C -0.876 173.489 174.700 -0.560 0.000 1.038 625 T CA -0.808 61.012 62.100 -0.467 0.000 1.007 625 T CB 1.483 70.220 68.868 -0.217 0.000 1.055 625 T HN 0.656 nan 8.240 nan 0.000 0.451 626 S N 0.554 116.052 115.700 -0.336 0.000 2.811 626 S HA 0.661 5.131 4.470 0.000 0.000 0.311 626 S C 1.106 175.665 174.600 -0.068 0.000 1.152 626 S CA -0.190 57.880 58.200 -0.217 0.000 0.864 626 S CB 1.402 64.514 63.200 -0.146 0.000 1.226 626 S HN 0.671 nan 8.310 nan 0.000 0.541 627 S N -0.276 115.411 115.700 -0.022 0.000 2.548 627 S HA 0.122 4.592 4.470 0.000 0.000 0.215 627 S C 1.235 175.845 174.600 0.018 0.000 0.976 627 S CA 0.336 58.551 58.200 0.025 0.000 0.908 627 S CB -0.530 62.725 63.200 0.091 0.000 0.781 627 S HN 0.538 nan 8.310 nan 0.000 0.519 628 S N 0.836 116.539 115.700 0.005 0.000 2.496 628 S HA 0.424 4.894 4.470 0.000 0.000 0.224 628 S C 1.645 176.250 174.600 0.009 0.000 0.996 628 S CA 0.667 58.869 58.200 0.003 0.000 0.927 628 S CB 0.048 63.245 63.200 -0.005 0.000 0.774 628 S HN 0.961 nan 8.310 nan 0.000 0.524 629 G N 0.555 109.365 108.800 0.016 0.000 2.428 629 G HA2 -0.163 3.797 3.960 0.000 0.000 0.199 629 G HA3 -0.163 3.797 3.960 0.000 0.000 0.199 629 G C -0.263 174.669 174.900 0.054 0.000 1.005 629 G CA -0.760 44.354 45.100 0.024 0.000 0.671 629 G HN 0.414 nan 8.290 nan 0.000 0.485 630 Q N 2.058 121.913 119.800 0.091 0.000 2.300 630 Q HA 0.505 4.845 4.340 0.000 0.000 0.262 630 Q C 0.433 176.561 176.000 0.213 0.000 1.109 630 Q CA 0.522 56.450 55.803 0.208 0.000 0.905 630 Q CB 0.526 29.396 28.738 0.219 0.000 1.280 630 Q HN 0.824 nan 8.270 nan 0.000 0.426 631 Q N 0.099 119.983 119.800 0.140 0.000 2.433 631 Q HA 0.725 5.065 4.340 0.000 0.000 0.279 631 Q C -0.616 175.384 176.000 -0.000 0.000 1.105 631 Q CA -1.094 54.737 55.803 0.047 0.000 0.815 631 Q CB 1.231 29.960 28.738 -0.015 0.000 1.403 631 Q HN 0.487 nan 8.270 nan 0.000 0.435 632 T N -1.350 113.178 114.554 -0.044 0.000 2.816 632 T HA 0.635 4.986 4.350 0.000 0.000 0.282 632 T C 0.543 175.205 174.700 -0.064 0.000 0.993 632 T CA -0.354 61.701 62.100 -0.076 0.000 0.994 632 T CB 0.855 69.695 68.868 -0.048 0.000 1.025 632 T HN 0.783 nan 8.240 nan 0.000 0.529 633 A N 0.959 123.741 122.820 -0.064 0.000 2.448 633 A HA 0.276 4.596 4.320 0.000 0.000 0.239 633 A C 0.576 178.140 177.584 -0.032 0.000 1.080 633 A CA -0.544 51.463 52.037 -0.051 0.000 0.779 633 A CB -0.171 18.801 19.000 -0.046 0.000 1.026 633 A HN 0.932 nan 8.150 nan 0.000 0.499 634 Q N 0.482 120.260 119.800 -0.037 0.000 2.314 634 Q HA 0.332 4.672 4.340 0.000 0.000 0.258 634 Q C -0.311 175.688 176.000 -0.001 0.000 0.954 634 Q CA -0.206 55.574 55.803 -0.038 0.000 0.890 634 Q CB 0.481 29.177 28.738 -0.069 0.000 1.210 634 Q HN 0.663 nan 8.270 nan 0.000 0.410 635 R N 2.801 123.320 120.500 0.032 0.000 2.360 635 R HA 0.507 4.847 4.340 0.000 0.000 0.318 635 R C -0.645 175.745 176.300 0.150 0.000 0.950 635 R CA 0.224 56.368 56.100 0.073 0.000 0.837 635 R CB 1.135 31.479 30.300 0.074 0.000 1.165 635 R HN 0.784 nan 8.270 nan 0.000 0.458 636 A N 4.019 126.919 122.820 0.135 0.000 1.970 636 A HA 0.176 4.496 4.320 0.000 0.000 0.204 636 A C 0.095 177.759 177.584 0.134 0.000 1.325 636 A CA 0.092 52.257 52.037 0.213 0.000 0.767 636 A CB 0.012 19.107 19.000 0.158 0.000 0.949 636 A HN 0.720 nan 8.150 nan 0.000 0.481 637 E N 0.333 120.580 120.200 0.078 0.000 2.392 637 E HA 0.251 4.601 4.350 0.000 0.000 0.264 637 E C 0.378 176.994 176.600 0.026 0.000 1.024 637 E CA -0.281 56.145 56.400 0.044 0.000 0.903 637 E CB 0.895 30.615 29.700 0.034 0.000 0.963 637 E HN 0.408 nan 8.360 nan 0.000 0.432 638 L N 1.659 122.884 121.223 0.004 0.000 2.034 638 L HA -0.128 4.212 4.340 0.000 0.000 0.203 638 L C 0.865 177.736 176.870 0.001 0.000 1.074 638 L CA 1.037 55.871 54.840 -0.010 0.000 0.748 638 L CB -0.253 41.789 42.059 -0.028 0.000 0.905 638 L HN 0.465 nan 8.230 nan 0.000 0.439 639 Q N -0.756 119.045 119.800 0.003 0.000 2.317 639 Q HA 0.204 4.544 4.340 0.000 0.000 0.229 639 Q C -0.263 175.745 176.000 0.013 0.000 0.984 639 Q CA -0.362 55.446 55.803 0.008 0.000 0.911 639 Q CB 0.914 29.655 28.738 0.004 0.000 1.217 639 Q HN 0.197 nan 8.270 nan 0.000 0.501 640 c N 2.426 121.034 118.600 0.014 0.000 2.727 640 c HA 0.191 4.761 4.570 0.000 0.000 0.401 640 c C -1.478 172.621 174.090 0.016 0.000 1.294 640 c CA -0.906 55.432 56.329 0.015 0.000 2.134 640 c CB -1.056 41.459 42.510 0.008 0.000 2.724 640 c HN 0.711 nan 8.230 nan 0.000 0.677 641 P HA 0.118 nan 4.420 nan 0.000 0.272 641 P C -0.271 177.039 177.300 0.018 0.000 1.243 641 P CA 0.218 63.331 63.100 0.021 0.000 0.803 641 P CB 0.176 31.892 31.700 0.027 0.000 0.974 642 Q N 0.000 119.811 119.800 0.018 0.000 2.315 642 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 642 Q CA 0.000 55.812 55.803 0.016 0.000 1.022 642 Q CB 0.000 28.748 28.738 0.017 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481