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 3g6j_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREFKSEKGR 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 0.000 174.541 174.600 -0.099 0.000 1.055 1 S CA 0.000 58.167 58.200 -0.054 0.000 1.107 1 S CB 0.000 63.176 63.200 -0.041 0.000 0.593 2 P HA 0.283 nan 4.420 nan 0.000 0.269 2 P C -0.955 176.109 177.300 -0.392 0.000 1.215 2 P CA -0.355 62.565 63.100 -0.299 0.000 0.780 2 P CB 0.373 31.843 31.700 -0.384 0.000 0.898 3 M N 2.761 122.089 119.600 -0.453 0.000 2.263 3 M HA 0.338 4.820 4.480 0.004 0.000 0.295 3 M C -1.712 174.278 176.300 -0.517 0.000 1.028 3 M CA -0.820 54.253 55.300 -0.379 0.000 0.921 3 M CB 1.441 33.948 32.600 -0.155 0.000 1.601 3 M HN 0.237 nan 8.290 nan 0.000 0.440 4 Y N 1.973 122.093 120.300 -0.301 0.000 2.360 4 Y HA 0.632 5.184 4.550 0.003 0.000 0.337 4 Y C 0.294 175.888 175.900 -0.510 0.000 1.039 4 Y CA -0.496 57.174 58.100 -0.717 0.000 1.109 4 Y CB 1.802 39.302 38.460 -1.601 0.000 1.201 4 Y HN 0.647 nan 8.280 nan 0.000 0.458 5 S N 2.791 118.374 115.700 -0.195 0.000 2.569 5 S HA 0.868 5.340 4.470 0.004 0.000 0.280 5 S C -1.181 173.463 174.600 0.073 0.000 1.111 5 S CA -0.793 57.331 58.200 -0.126 0.000 0.887 5 S CB 1.693 64.847 63.200 -0.077 0.000 1.095 5 S HN 0.616 nan 8.310 nan 0.000 0.476 6 I N -0.988 119.532 120.570 -0.083 0.000 2.608 6 I HA 0.828 5.000 4.170 0.004 0.000 0.295 6 I C -1.554 174.522 176.117 -0.068 0.000 1.049 6 I CA -1.053 60.262 61.300 0.024 0.000 1.063 6 I CB 1.331 39.352 38.000 0.035 0.000 1.248 6 I HN 0.593 nan 8.210 nan 0.000 0.424 7 I N 4.729 125.342 120.570 0.071 0.000 2.466 7 I HA 0.734 4.906 4.170 0.004 0.000 0.289 7 I C 0.083 176.274 176.117 0.124 0.000 1.026 7 I CA 0.063 61.427 61.300 0.105 0.000 1.078 7 I CB 2.216 40.361 38.000 0.242 0.000 1.249 7 I HN 0.917 nan 8.210 nan 0.000 0.429 8 T N 3.111 117.729 114.554 0.107 0.000 2.901 8 T HA 0.715 5.067 4.350 0.004 0.000 0.293 8 T C -2.973 171.795 174.700 0.113 0.000 1.084 8 T CA -2.563 59.612 62.100 0.124 0.000 1.008 8 T CB 2.108 71.056 68.868 0.133 0.000 1.170 8 T HN 0.075 nan 8.240 nan 0.000 0.509 9 P HA 0.219 nan 4.420 nan 0.000 0.268 9 P C 0.515 177.852 177.300 0.063 0.000 1.208 9 P CA -0.114 63.030 63.100 0.074 0.000 0.777 9 P CB 0.301 32.017 31.700 0.028 0.000 0.875 10 N N 0.620 119.358 118.700 0.063 0.000 2.289 10 N HA -0.064 4.678 4.740 0.004 0.000 0.184 10 N C 0.235 175.756 175.510 0.019 0.000 1.016 10 N CA 0.721 53.802 53.050 0.051 0.000 0.872 10 N CB -0.073 38.448 38.487 0.057 0.000 0.973 10 N HN 0.374 nan 8.380 nan 0.000 0.433 11 I N 1.333 121.900 120.570 -0.005 0.000 2.533 11 I HA 0.284 4.456 4.170 0.004 0.000 0.290 11 I C -0.994 175.085 176.117 -0.065 0.000 1.056 11 I CA -0.547 60.725 61.300 -0.047 0.000 1.057 11 I CB 2.387 40.349 38.000 -0.064 0.000 1.240 11 I HN -0.125 nan 8.210 nan 0.000 0.423 12 L N 6.230 127.408 121.223 -0.075 0.000 2.317 12 L HA 0.567 4.909 4.340 0.004 0.000 0.281 12 L C -0.180 176.611 176.870 -0.132 0.000 1.024 12 L CA -0.642 54.146 54.840 -0.086 0.000 0.810 12 L CB 1.574 43.621 42.059 -0.021 0.000 1.240 12 L HN 0.530 nan 8.230 nan 0.000 0.427 13 R N 2.821 123.231 120.500 -0.149 0.000 2.604 13 R HA 0.615 4.957 4.340 0.004 0.000 0.287 13 R C -0.902 175.323 176.300 -0.125 0.000 0.970 13 R CA -0.846 55.168 56.100 -0.143 0.000 0.946 13 R CB 1.637 31.833 30.300 -0.174 0.000 1.127 13 R HN 0.464 nan 8.270 nan 0.000 0.473 14 L N 2.495 123.649 121.223 -0.115 0.000 2.397 14 L HA 0.086 4.428 4.340 0.004 0.000 0.271 14 L C 0.811 177.628 176.870 -0.090 0.000 1.148 14 L CA 0.401 55.170 54.840 -0.118 0.000 0.825 14 L CB 0.588 42.573 42.059 -0.124 0.000 1.117 14 L HN 0.861 nan 8.230 nan 0.000 0.456 15 E N -0.723 119.431 120.200 -0.076 0.000 4.205 15 E HA -0.240 4.112 4.350 0.004 0.000 0.310 15 E C 0.083 176.642 176.600 -0.069 0.000 0.654 15 E CA 1.248 57.608 56.400 -0.067 0.000 1.279 15 E CB -0.842 28.804 29.700 -0.091 0.000 1.720 15 E HN 0.788 nan 8.360 nan 0.000 0.403 16 S N 0.482 116.139 115.700 -0.072 0.000 2.654 16 S HA 0.472 4.944 4.470 0.004 0.000 0.283 16 S C -0.082 174.452 174.600 -0.110 0.000 1.180 16 S CA -0.877 57.286 58.200 -0.063 0.000 1.021 16 S CB 1.959 65.152 63.200 -0.012 0.000 1.018 16 S HN 0.164 nan 8.310 nan 0.000 0.532 17 E N 1.172 121.307 120.200 -0.109 0.000 2.290 17 E HA 0.186 4.538 4.350 0.004 0.000 0.277 17 E C -0.444 176.012 176.600 -0.240 0.000 1.035 17 E CA -0.047 56.248 56.400 -0.175 0.000 0.873 17 E CB 0.497 30.130 29.700 -0.110 0.000 1.029 17 E HN 0.501 nan 8.360 nan 0.000 0.419 18 E N 2.284 122.212 120.200 -0.453 0.000 2.199 18 E HA 0.243 4.595 4.350 0.004 0.000 0.265 18 E C -0.810 175.453 176.600 -0.563 0.000 0.882 18 E CA -0.492 55.629 56.400 -0.465 0.000 0.759 18 E CB 2.100 31.502 29.700 -0.496 0.000 1.148 18 E HN 0.343 nan 8.360 nan 0.000 0.412 19 T N 2.405 116.828 114.554 -0.217 0.000 2.922 19 T HA 0.521 4.874 4.350 0.004 0.000 0.285 19 T C 0.299 175.057 174.700 0.096 0.000 1.005 19 T CA -0.518 61.552 62.100 -0.051 0.000 1.061 19 T CB 0.890 69.756 68.868 -0.004 0.000 1.007 19 T HN 0.377 nan 8.240 nan 0.000 0.502 20 M N 2.935 122.660 119.600 0.209 0.000 2.142 20 M HA 0.518 5.000 4.480 0.004 0.000 0.299 20 M C -1.660 174.729 176.300 0.149 0.000 0.960 20 M CA -0.770 54.663 55.300 0.222 0.000 0.920 20 M CB 1.040 33.821 32.600 0.302 0.000 1.541 20 M HN 0.321 nan 8.290 nan 0.000 0.429 21 V N 6.211 126.213 119.914 0.146 0.000 2.498 21 V HA 0.400 4.523 4.120 0.004 0.000 0.279 21 V C -0.197 175.998 176.094 0.168 0.000 1.048 21 V CA -0.383 62.005 62.300 0.147 0.000 0.967 21 V CB 1.166 33.094 31.823 0.176 0.000 0.988 21 V HN 0.806 nan 8.190 nan 0.000 0.473 22 L N 5.130 126.451 121.223 0.163 0.000 2.356 22 L HA 0.648 4.990 4.340 0.004 0.000 0.277 22 L C -0.241 176.773 176.870 0.239 0.000 0.996 22 L CA -0.290 54.692 54.840 0.237 0.000 0.822 22 L CB 1.974 44.137 42.059 0.173 0.000 1.256 22 L HN 0.659 nan 8.230 nan 0.000 0.413 23 E N 2.013 122.381 120.200 0.281 0.000 2.317 23 E HA 0.716 5.068 4.350 0.004 0.000 0.270 23 E C -1.083 175.535 176.600 0.031 0.000 0.885 23 E CA -0.810 55.644 56.400 0.090 0.000 0.760 23 E CB 2.737 32.459 29.700 0.036 0.000 1.227 23 E HN 0.594 nan 8.360 nan 0.000 0.434 24 A N 3.265 126.032 122.820 -0.089 0.000 2.763 24 A HA 0.306 4.628 4.320 0.004 0.000 0.325 24 A C -0.979 176.449 177.584 -0.260 0.000 1.209 24 A CA -0.644 51.318 52.037 -0.126 0.000 0.764 24 A CB 0.146 19.206 19.000 0.099 0.000 1.120 24 A HN 0.579 nan 8.150 nan 0.000 0.463 25 H N 1.192 120.188 119.070 -0.123 0.000 2.652 25 H HA 0.146 4.705 4.556 0.005 0.000 0.349 25 H C -0.469 174.766 175.328 -0.156 0.000 1.099 25 H CA 0.428 56.464 56.048 -0.020 0.000 1.417 25 H CB 0.792 30.598 29.762 0.073 0.000 1.457 25 H HN 0.687 nan 8.280 nan 0.000 0.568 26 D N -0.109 120.304 120.400 0.022 0.000 2.737 26 D HA -0.142 4.500 4.640 0.004 0.000 0.238 26 D C -0.174 176.017 176.300 -0.180 0.000 1.157 26 D CA 0.844 54.807 54.000 -0.062 0.000 0.694 26 D CB -1.129 39.639 40.800 -0.054 0.000 1.021 26 D HN 0.722 nan 8.370 nan 0.000 0.420 27 A N 0.545 123.169 122.820 -0.327 0.000 2.294 27 A HA 0.713 5.035 4.320 0.004 0.000 0.330 27 A C 0.028 177.409 177.584 -0.338 0.000 1.133 27 A CA -0.563 51.169 52.037 -0.509 0.000 0.836 27 A CB 1.417 19.752 19.000 -1.108 0.000 1.190 27 A HN 0.039 nan 8.150 nan 0.000 0.492 28 Q N 0.545 120.263 119.800 -0.137 0.000 2.337 28 Q HA 0.497 4.839 4.340 0.004 0.000 0.264 28 Q C 0.229 176.305 176.000 0.127 0.000 1.007 28 Q CA 0.535 56.361 55.803 0.037 0.000 0.727 28 Q CB 1.283 30.037 28.738 0.026 0.000 1.256 28 Q HN 1.907 nan 8.270 nan 0.000 0.467 29 G N 3.293 112.228 108.800 0.224 0.000 2.750 29 G HA2 -0.228 3.735 3.960 0.004 0.000 0.228 29 G HA3 -0.228 3.735 3.960 0.004 0.000 0.228 29 G C -0.735 174.293 174.900 0.213 0.000 1.367 29 G CA -0.715 44.491 45.100 0.176 0.000 0.871 29 G HN 0.547 nan 8.290 nan 0.000 0.560 30 D N -0.671 119.802 120.400 0.123 0.000 2.488 30 D HA 0.383 5.025 4.640 0.004 0.000 0.238 30 D C 0.482 176.858 176.300 0.126 0.000 1.138 30 D CA 1.027 55.091 54.000 0.107 0.000 0.873 30 D CB 1.602 42.437 40.800 0.058 0.000 1.183 30 D HN 1.195 nan 8.370 nan 0.000 0.458 31 V N 3.690 123.689 119.914 0.141 0.000 2.532 31 V HA 0.419 4.541 4.120 0.004 0.000 0.294 31 V C -2.740 173.412 176.094 0.096 0.000 1.036 31 V CA -1.811 60.574 62.300 0.141 0.000 0.876 31 V CB 2.234 34.195 31.823 0.231 0.000 1.012 31 V HN 0.398 nan 8.190 nan 0.000 0.432 32 P HA 0.474 nan 4.420 nan 0.000 0.277 32 P C -1.156 176.107 177.300 -0.061 0.000 1.240 32 P CA -0.230 62.866 63.100 -0.006 0.000 0.798 32 P CB 1.933 33.624 31.700 -0.015 0.000 0.979 33 V N 1.833 121.676 119.914 -0.119 0.000 2.668 33 V HA 0.294 4.416 4.120 0.004 0.000 0.304 33 V C -0.046 175.906 176.094 -0.236 0.000 1.071 33 V CA -0.386 61.754 62.300 -0.266 0.000 0.894 33 V CB 2.079 33.657 31.823 -0.408 0.000 1.008 33 V HN 0.493 nan 8.190 nan 0.000 0.425 34 T N 4.209 118.613 114.554 -0.251 0.000 2.749 34 T HA 0.500 4.852 4.350 0.004 0.000 0.287 34 T C -0.183 174.366 174.700 -0.252 0.000 0.970 34 T CA -0.287 61.695 62.100 -0.198 0.000 0.980 34 T CB 1.311 70.094 68.868 -0.141 0.000 0.924 34 T HN 0.389 nan 8.240 nan 0.000 0.456 35 V N 5.132 124.905 119.914 -0.234 0.000 2.383 35 V HA 0.429 4.551 4.120 0.004 0.000 0.275 35 V C 0.473 176.403 176.094 -0.273 0.000 1.036 35 V CA -0.620 61.512 62.300 -0.279 0.000 0.889 35 V CB 1.012 32.666 31.823 -0.281 0.000 0.985 35 V HN 0.971 nan 8.190 nan 0.000 0.459 36 T N 3.768 118.138 114.554 -0.306 0.000 2.885 36 T HA 0.729 5.081 4.350 0.004 0.000 0.285 36 T C -0.515 173.936 174.700 -0.415 0.000 1.019 36 T CA -0.657 61.252 62.100 -0.318 0.000 1.010 36 T CB 2.117 70.784 68.868 -0.335 0.000 1.022 36 T HN 0.316 nan 8.240 nan 0.000 0.466 37 V N 2.651 122.370 119.914 -0.324 0.000 2.482 37 V HA 0.409 4.531 4.120 0.004 0.000 0.295 37 V C -0.770 175.329 176.094 0.009 0.000 1.026 37 V CA -0.840 61.328 62.300 -0.220 0.000 0.856 37 V CB 0.977 32.706 31.823 -0.156 0.000 1.001 37 V HN 0.941 nan 8.190 nan 0.000 0.424 38 H N 1.841 120.940 119.070 0.050 0.000 2.670 38 H HA 0.509 5.067 4.556 0.003 0.000 0.361 38 H C -0.647 174.782 175.328 0.169 0.000 1.169 38 H CA -1.239 54.863 56.048 0.089 0.000 1.198 38 H CB 1.888 31.691 29.762 0.068 0.000 1.700 38 H HN 0.756 nan 8.280 nan 0.000 0.542 39 D N 0.817 121.397 120.400 0.298 0.000 2.371 39 D HA 0.055 4.697 4.640 0.004 0.000 0.242 39 D C -0.593 175.897 176.300 0.317 0.000 1.218 39 D CA -0.130 54.035 54.000 0.274 0.000 0.945 39 D CB 1.003 41.830 40.800 0.044 0.000 1.137 39 D HN 0.329 nan 8.370 nan 0.000 0.464 40 F N -0.101 119.939 119.950 0.150 0.000 2.596 40 F HA 0.401 4.930 4.527 0.003 0.000 0.311 40 F C -2.637 173.224 175.800 0.102 0.000 1.116 40 F CA -1.691 56.382 58.000 0.123 0.000 0.957 40 F CB 1.915 41.012 39.000 0.161 0.000 1.250 40 F HN 0.194 nan 8.300 nan 0.000 0.444 41 P HA 0.544 nan 4.420 nan 0.000 0.276 41 P C -0.276 176.814 177.300 -0.351 0.000 1.252 41 P CA 0.167 62.680 63.100 -0.978 0.000 0.802 41 P CB 1.120 32.288 31.700 -0.887 0.000 1.035 42 G N 1.006 109.659 108.800 -0.244 0.000 2.757 42 G HA2 -0.148 3.814 3.960 0.004 0.000 0.686 42 G HA3 -0.148 3.814 3.960 0.004 0.000 0.686 42 G C -1.014 173.855 174.900 -0.053 0.000 1.452 42 G CA -0.706 44.324 45.100 -0.116 0.000 0.922 42 G HN 0.699 nan 8.290 nan 0.000 0.588 43 K N 1.505 121.869 120.400 -0.061 0.000 2.521 43 K HA 0.388 4.710 4.320 0.004 0.000 0.248 43 K C -0.197 176.294 176.600 -0.182 0.000 0.978 43 K CA -0.930 55.297 56.287 -0.100 0.000 0.947 43 K CB 2.062 34.481 32.500 -0.135 0.000 1.165 43 K HN 0.467 nan 8.250 nan 0.000 0.445 44 K N 5.182 125.502 120.400 -0.132 0.000 2.339 44 K HA 0.162 4.484 4.320 0.004 0.000 0.264 44 K C 0.055 176.595 176.600 -0.099 0.000 0.986 44 K CA -0.705 55.506 56.287 -0.127 0.000 0.866 44 K CB 0.868 33.321 32.500 -0.078 0.000 1.103 44 K HN 0.561 nan 8.250 nan 0.000 0.441 45 L N 4.447 125.585 121.223 -0.141 0.000 2.485 45 L HA 0.078 4.420 4.340 0.004 0.000 0.275 45 L C 0.598 177.528 176.870 0.101 0.000 1.207 45 L CA 0.336 55.193 54.840 0.028 0.000 0.855 45 L CB 0.129 42.209 42.059 0.034 0.000 1.114 45 L HN 0.561 nan 8.230 nan 0.000 0.485 46 V N 4.197 124.216 119.914 0.175 0.000 3.219 46 V HA 0.392 4.514 4.120 0.004 0.000 0.240 46 V C 0.446 176.616 176.094 0.127 0.000 1.222 46 V CA 0.338 62.730 62.300 0.155 0.000 1.181 46 V CB 0.754 32.711 31.823 0.223 0.000 0.941 46 V HN 0.734 nan 8.190 nan 0.000 0.471 47 L N 1.395 122.682 121.223 0.106 0.000 2.628 47 L HA 0.451 4.793 4.340 0.004 0.000 0.258 47 L C 0.506 177.374 176.870 -0.003 0.000 1.027 47 L CA 0.533 55.410 54.840 0.063 0.000 0.910 47 L CB 1.663 43.780 42.059 0.098 0.000 1.157 47 L HN 0.256 nan 8.230 nan 0.000 0.452 48 S N 0.244 115.954 115.700 0.016 0.000 2.634 48 S HA 0.114 4.586 4.470 0.004 0.000 0.221 48 S C 0.868 175.449 174.600 -0.031 0.000 0.952 48 S CA 0.178 58.367 58.200 -0.018 0.000 0.930 48 S CB 0.231 63.451 63.200 0.035 0.000 0.780 48 S HN 0.599 nan 8.310 nan 0.000 0.498 49 S N 1.592 117.284 115.700 -0.013 0.000 2.650 49 S HA 0.165 4.638 4.470 0.004 0.000 0.251 49 S C -0.408 174.174 174.600 -0.029 0.000 1.325 49 S CA 0.067 58.264 58.200 -0.005 0.000 0.967 49 S CB -0.207 63.008 63.200 0.025 0.000 1.000 49 S HN 0.601 nan 8.310 nan 0.000 0.584 50 E N -0.807 119.387 120.200 -0.010 0.000 3.783 50 E HA -0.171 4.182 4.350 0.004 0.000 0.154 50 E C -0.821 175.746 176.600 -0.055 0.000 1.748 50 E CA 0.721 57.111 56.400 -0.016 0.000 0.854 50 E CB -2.079 27.624 29.700 0.005 0.000 1.075 50 E HN 0.653 nan 8.360 nan 0.000 0.360 51 K N -0.343 120.030 120.400 -0.046 0.000 2.203 51 K HA 0.836 5.158 4.320 0.004 0.000 0.251 51 K C -0.255 176.318 176.600 -0.046 0.000 0.944 51 K CA -0.601 55.648 56.287 -0.063 0.000 0.829 51 K CB 2.608 35.075 32.500 -0.055 0.000 1.125 51 K HN 0.227 nan 8.250 nan 0.000 0.430 52 T N 0.359 114.879 114.554 -0.056 0.000 2.821 52 T HA 0.514 4.867 4.350 0.004 0.000 0.306 52 T C -1.804 172.880 174.700 -0.026 0.000 1.313 52 T CA -0.530 61.550 62.100 -0.032 0.000 1.012 52 T CB 1.405 70.259 68.868 -0.024 0.000 1.298 52 T HN 0.922 nan 8.240 nan 0.000 0.502 53 V N 2.941 122.853 119.914 -0.004 0.000 2.380 53 V HA 0.690 4.812 4.120 0.004 0.000 0.286 53 V C -0.289 175.823 176.094 0.031 0.000 1.015 53 V CA -1.043 61.267 62.300 0.018 0.000 0.834 53 V CB 0.552 32.385 31.823 0.016 0.000 1.009 53 V HN 0.879 nan 8.190 nan 0.000 0.428 54 L N 3.566 124.830 121.223 0.069 0.000 2.361 54 L HA 0.786 5.128 4.340 0.004 0.000 0.278 54 L C 0.691 177.595 176.870 0.056 0.000 1.113 54 L CA -0.019 54.863 54.840 0.070 0.000 0.849 54 L CB 0.477 42.615 42.059 0.133 0.000 1.155 54 L HN 0.818 nan 8.230 nan 0.000 0.452 55 T N -0.571 113.943 114.554 -0.067 0.000 2.940 55 T HA 0.515 4.867 4.350 0.004 0.000 0.288 55 T C -1.953 172.497 174.700 -0.416 0.000 1.033 55 T CA -2.123 59.889 62.100 -0.146 0.000 1.033 55 T CB 2.074 70.894 68.868 -0.080 0.000 1.079 55 T HN 0.292 nan 8.240 nan 0.000 0.496 56 P HA -0.189 nan 4.420 nan 0.000 0.218 56 P C 1.712 178.857 177.300 -0.258 0.000 1.152 56 P CA 2.005 64.840 63.100 -0.441 0.000 0.857 56 P CB -0.347 31.262 31.700 -0.152 0.000 0.787 57 A N -0.572 122.147 122.820 -0.168 0.000 1.903 57 A HA -0.221 4.101 4.320 0.004 0.000 0.219 57 A C 1.849 179.363 177.584 -0.117 0.000 1.191 57 A CA 2.757 54.729 52.037 -0.109 0.000 0.638 57 A CB -1.901 17.054 19.000 -0.075 0.000 0.823 57 A HN 0.386 nan 8.150 nan 0.000 0.451 58 T N -3.919 110.547 114.554 -0.145 0.000 3.258 58 T HA 0.288 4.641 4.350 0.004 0.000 0.259 58 T C 0.149 174.750 174.700 -0.165 0.000 0.963 58 T CA 0.008 62.033 62.100 -0.125 0.000 0.919 58 T CB -0.624 68.191 68.868 -0.089 0.000 1.110 58 T HN 0.446 nan 8.240 nan 0.000 0.550 59 N N 3.282 121.862 118.700 -0.200 0.000 2.710 59 N HA -0.219 4.523 4.740 0.004 0.000 0.249 59 N C -0.302 175.115 175.510 -0.156 0.000 1.059 59 N CA 1.282 54.215 53.050 -0.194 0.000 0.720 59 N CB -1.580 36.784 38.487 -0.206 0.000 0.983 59 N HN 0.785 nan 8.380 nan 0.000 0.544 60 H N -3.089 115.921 119.070 -0.099 0.000 2.741 60 H HA -0.197 4.362 4.556 0.005 0.000 0.305 60 H C 0.461 175.727 175.328 -0.104 0.000 1.169 60 H CA 1.453 57.456 56.048 -0.075 0.000 1.144 60 H CB -1.216 28.505 29.762 -0.068 0.000 1.397 60 H HN 0.553 nan 8.280 nan 0.000 0.409 61 M N 0.191 119.765 119.600 -0.043 0.000 2.263 61 M HA 0.559 5.041 4.480 0.004 0.000 0.295 61 M C -0.041 176.252 176.300 -0.011 0.000 1.028 61 M CA -0.174 55.105 55.300 -0.036 0.000 0.921 61 M CB 2.010 34.544 32.600 -0.110 0.000 1.601 61 M HN 0.276 nan 8.290 nan 0.000 0.440 62 G N 2.615 111.434 108.800 0.031 0.000 2.788 62 G HA2 0.668 4.630 3.960 0.004 0.000 0.293 62 G HA3 0.668 4.630 3.960 0.004 0.000 0.293 62 G C -1.997 172.929 174.900 0.045 0.000 1.392 62 G CA -0.787 44.328 45.100 0.026 0.000 0.810 62 G HN 0.838 nan 8.290 nan 0.000 0.508 63 N N -2.517 116.205 118.700 0.038 0.000 2.697 63 N HA 0.713 5.456 4.740 0.004 0.000 0.272 63 N C -1.734 173.807 175.510 0.051 0.000 1.381 63 N CA -0.761 52.321 53.050 0.054 0.000 0.797 63 N CB 2.315 40.835 38.487 0.054 0.000 1.523 63 N HN 0.533 nan 8.380 nan 0.000 0.518 64 V N -0.336 119.627 119.914 0.082 0.000 2.789 64 V HA 0.630 4.752 4.120 0.004 0.000 0.311 64 V C -0.918 175.286 176.094 0.183 0.000 1.073 64 V CA -0.495 61.869 62.300 0.107 0.000 0.921 64 V CB 2.177 34.046 31.823 0.077 0.000 1.009 64 V HN 0.898 nan 8.190 nan 0.000 0.426 65 T N 5.934 120.584 114.554 0.159 0.000 2.809 65 T HA 0.688 5.040 4.350 0.004 0.000 0.296 65 T C -0.735 174.072 174.700 0.177 0.000 1.015 65 T CA -0.195 61.971 62.100 0.110 0.000 0.954 65 T CB 0.374 69.264 68.868 0.038 0.000 0.950 65 T HN 0.518 nan 8.240 nan 0.000 0.450 66 F N -0.251 119.694 119.950 -0.008 0.000 2.603 66 F HA 0.908 5.435 4.527 -0.001 0.000 0.317 66 F C -0.586 175.209 175.800 -0.008 0.000 1.066 66 F CA -1.012 56.983 58.000 -0.008 0.000 0.941 66 F CB 1.532 40.525 39.000 -0.012 0.000 1.291 66 F HN 0.266 nan 8.300 nan 0.000 0.472 67 T N 2.621 117.233 114.554 0.095 0.000 2.893 67 T HA 0.565 4.917 4.350 0.004 0.000 0.293 67 T C -0.797 173.960 174.700 0.096 0.000 1.027 67 T CA -0.523 61.576 62.100 -0.002 0.000 0.988 67 T CB 1.822 70.683 68.868 -0.012 0.000 1.043 67 T HN 0.583 nan 8.240 nan 0.000 0.461 68 I N 4.209 124.804 120.570 0.042 0.000 2.339 68 I HA 0.337 4.509 4.170 0.004 0.000 0.290 68 I C -2.261 173.870 176.117 0.024 0.000 0.994 68 I CA -2.497 58.838 61.300 0.058 0.000 1.191 68 I CB 1.870 39.872 38.000 0.003 0.000 1.343 68 I HN 0.316 nan 8.210 nan 0.000 0.458 69 P HA 0.162 nan 4.420 nan 0.000 0.277 69 P C -0.498 176.855 177.300 0.089 0.000 1.240 69 P CA -0.562 62.576 63.100 0.063 0.000 0.798 69 P CB 0.910 32.658 31.700 0.081 0.000 0.979 70 A N 2.553 125.415 122.820 0.071 0.000 3.063 70 A HA 0.081 4.404 4.320 0.004 0.000 0.263 70 A C 0.655 178.338 177.584 0.166 0.000 1.736 70 A CA -0.160 51.941 52.037 0.107 0.000 1.408 70 A CB -1.592 17.444 19.000 0.059 0.000 1.108 70 A HN 0.507 nan 8.150 nan 0.000 0.621 71 N N -0.469 118.378 118.700 0.245 0.000 2.332 71 N HA 0.117 4.859 4.740 0.004 0.000 0.282 71 N C 1.144 176.728 175.510 0.123 0.000 1.288 71 N CA -0.471 52.680 53.050 0.168 0.000 0.949 71 N CB 0.401 38.982 38.487 0.157 0.000 1.108 71 N HN 0.392 nan 8.380 nan 0.000 0.542 72 R N 1.019 121.545 120.500 0.043 0.000 2.073 72 R HA -0.055 4.287 4.340 0.004 0.000 0.234 72 R C 1.332 177.611 176.300 -0.035 0.000 1.134 72 R CA 1.389 57.494 56.100 0.008 0.000 0.952 72 R CB -0.187 30.106 30.300 -0.011 0.000 0.850 72 R HN 0.598 nan 8.270 nan 0.000 0.433 73 E N -0.926 119.186 120.200 -0.145 0.000 2.494 73 E HA -0.011 4.341 4.350 0.004 0.000 0.193 73 E C 0.651 177.050 176.600 -0.336 0.000 1.074 73 E CA 0.323 56.570 56.400 -0.255 0.000 0.867 73 E CB 0.187 29.680 29.700 -0.344 0.000 0.924 73 E HN 0.358 nan 8.360 nan 0.000 0.502 74 F N 0.126 120.099 119.950 0.037 0.000 2.514 74 F HA 0.134 4.662 4.527 0.003 0.000 0.281 74 F C 2.308 178.126 175.800 0.030 0.000 1.060 74 F CA -0.225 57.797 58.000 0.037 0.000 1.397 74 F CB 0.303 39.326 39.000 0.037 0.000 1.129 74 F HN -0.203 nan 8.300 nan 0.000 0.620 75 K N 0.853 121.380 120.400 0.212 0.000 1.977 75 K HA -0.216 4.106 4.320 0.004 0.000 0.218 75 K C 2.268 178.925 176.600 0.095 0.000 1.051 75 K CA 2.348 58.715 56.287 0.133 0.000 0.953 75 K CB -0.449 32.112 32.500 0.102 0.000 0.727 75 K HN 0.269 nan 8.250 nan 0.000 0.445 76 S N 0.715 116.456 115.700 0.068 0.000 2.368 76 S HA -0.092 4.380 4.470 0.004 0.000 0.224 76 S C 0.594 175.221 174.600 0.046 0.000 1.029 76 S CA 0.617 58.846 58.200 0.047 0.000 0.988 76 S CB -0.242 62.975 63.200 0.029 0.000 0.838 76 S HN 0.233 nan 8.310 nan 0.000 0.462 77 E N 2.053 122.283 120.200 0.049 0.000 2.029 77 E HA 0.357 4.709 4.350 0.004 0.000 0.276 77 E C -0.570 176.079 176.600 0.081 0.000 1.163 77 E CA 0.170 56.601 56.400 0.052 0.000 0.909 77 E CB 0.424 30.145 29.700 0.035 0.000 1.046 77 E HN 0.436 nan 8.360 nan 0.000 0.406 78 K N 0.123 120.559 120.400 0.060 0.000 2.469 78 K HA 0.604 4.926 4.320 0.004 0.000 0.268 78 K C 0.401 177.024 176.600 0.038 0.000 1.027 78 K CA -0.339 55.980 56.287 0.054 0.000 0.893 78 K CB 2.124 34.648 32.500 0.041 0.000 1.460 78 K HN 0.429 nan 8.250 nan 0.000 0.449 79 G N 0.233 109.050 108.800 0.028 0.000 3.047 79 G HA2 -0.175 3.787 3.960 0.004 0.000 0.203 79 G HA3 -0.175 3.787 3.960 0.004 0.000 0.203 79 G C -0.430 174.490 174.900 0.034 0.000 1.444 79 G CA -0.542 44.571 45.100 0.021 0.000 1.020 79 G HN 0.324 nan 8.290 nan 0.000 0.563 80 R N 1.722 122.255 120.500 0.054 0.000 2.459 80 R HA 0.381 4.723 4.340 0.004 0.000 0.281 80 R C 0.217 176.572 176.300 0.092 0.000 1.050 80 R CA -0.492 55.657 56.100 0.082 0.000 1.055 80 R CB 0.305 30.666 30.300 0.102 0.000 1.045 80 R HN 0.592 nan 8.270 nan 0.000 0.495 81 N N 1.497 120.257 118.700 0.099 0.000 2.479 81 N HA 0.007 4.749 4.740 0.004 0.000 0.257 81 N C -0.238 175.292 175.510 0.033 0.000 1.232 81 N CA 0.245 53.294 53.050 -0.002 0.000 0.920 81 N CB 0.725 39.152 38.487 -0.100 0.000 1.105 81 N HN 0.002 nan 8.380 nan 0.000 0.444 82 K N 1.712 122.043 120.400 -0.114 0.000 2.118 82 K HA 0.485 4.807 4.320 0.004 0.000 0.254 82 K C -0.961 175.487 176.600 -0.253 0.000 0.961 82 K CA -0.258 56.074 56.287 0.074 0.000 0.876 82 K CB 1.094 33.740 32.500 0.243 0.000 1.077 82 K HN 0.386 nan 8.250 nan 0.000 0.440 83 F N -0.273 119.843 119.950 0.278 0.000 2.613 83 F HA 0.465 4.994 4.527 0.003 0.000 0.314 83 F C 0.235 176.206 175.800 0.285 0.000 1.075 83 F CA -1.105 57.000 58.000 0.175 0.000 0.945 83 F CB 1.704 40.718 39.000 0.025 0.000 1.310 83 F HN 0.235 nan 8.300 nan 0.000 0.467 84 V N -2.034 118.085 119.914 0.342 0.000 3.164 84 V HA 0.836 4.958 4.120 0.004 0.000 0.313 84 V C -0.963 175.237 176.094 0.176 0.000 1.188 84 V CA -0.796 61.693 62.300 0.314 0.000 1.058 84 V CB 1.799 33.767 31.823 0.242 0.000 1.110 84 V HN 0.707 nan 8.190 nan 0.000 0.453 85 T N 1.155 115.799 114.554 0.150 0.000 2.934 85 T HA 0.543 4.895 4.350 0.004 0.000 0.328 85 T C -0.458 174.202 174.700 -0.066 0.000 1.068 85 T CA -0.224 61.903 62.100 0.045 0.000 1.018 85 T CB 0.926 69.862 68.868 0.114 0.000 1.009 85 T HN 0.696 nan 8.240 nan 0.000 0.471 86 V N 3.853 123.716 119.914 -0.084 0.000 2.614 86 V HA 0.398 4.520 4.120 0.004 0.000 0.291 86 V C 0.285 176.275 176.094 -0.174 0.000 1.049 86 V CA -0.156 62.045 62.300 -0.165 0.000 1.038 86 V CB 1.323 33.078 31.823 -0.114 0.000 0.980 86 V HN 0.837 nan 8.190 nan 0.000 0.481 87 Q N 3.365 123.022 119.800 -0.238 0.000 2.406 87 Q HA 0.595 4.937 4.340 0.004 0.000 0.244 87 Q C -1.081 174.784 176.000 -0.225 0.000 0.884 87 Q CA -0.523 55.159 55.803 -0.202 0.000 0.813 87 Q CB 1.750 30.350 28.738 -0.230 0.000 1.368 87 Q HN 0.876 nan 8.270 nan 0.000 0.439 88 A N 2.527 125.231 122.820 -0.192 0.000 2.309 88 A HA 0.686 5.008 4.320 0.004 0.000 0.298 88 A C -0.387 177.011 177.584 -0.309 0.000 1.165 88 A CA -0.239 51.590 52.037 -0.347 0.000 0.821 88 A CB 1.078 19.805 19.000 -0.455 0.000 1.102 88 A HN 0.618 nan 8.150 nan 0.000 0.500 89 T N 3.106 117.419 114.554 -0.403 0.000 3.155 89 T HA 0.363 4.715 4.350 0.004 0.000 0.384 89 T C -0.783 173.726 174.700 -0.318 0.000 1.351 89 T CA 0.064 62.017 62.100 -0.245 0.000 1.198 89 T CB -0.661 68.113 68.868 -0.157 0.000 1.106 89 T HN 0.375 nan 8.240 nan 0.000 0.564 90 F N 2.905 122.682 119.950 -0.289 0.000 2.468 90 F HA 0.419 4.950 4.527 0.006 0.000 0.356 90 F C 1.741 177.308 175.800 -0.389 0.000 1.167 90 F CA 0.294 58.042 58.000 -0.419 0.000 1.135 90 F CB -0.208 38.243 39.000 -0.916 0.000 1.197 90 F HN 0.804 nan 8.300 nan 0.000 0.569 91 G N 2.386 111.131 108.800 -0.092 0.000 3.024 91 G HA2 -0.466 3.496 3.960 0.004 0.000 0.339 91 G HA3 -0.466 3.496 3.960 0.004 0.000 0.339 91 G C 1.215 176.078 174.900 -0.061 0.000 1.200 91 G CA 1.154 46.219 45.100 -0.058 0.000 0.968 91 G HN 0.605 nan 8.290 nan 0.000 0.593 92 T N -0.055 114.465 114.554 -0.057 0.000 3.034 92 T HA 0.300 4.652 4.350 0.004 0.000 0.248 92 T C 1.091 175.766 174.700 -0.041 0.000 1.040 92 T CA 1.407 63.485 62.100 -0.037 0.000 1.107 92 T CB -0.003 68.858 68.868 -0.011 0.000 0.932 92 T HN 0.437 nan 8.240 nan 0.000 0.474 93 Q N 1.827 121.582 119.800 -0.073 0.000 2.297 93 Q HA 0.376 4.718 4.340 0.004 0.000 0.267 93 Q C -0.838 175.165 176.000 0.005 0.000 1.006 93 Q CA 0.069 55.847 55.803 -0.042 0.000 0.896 93 Q CB 1.258 29.947 28.738 -0.082 0.000 1.186 93 Q HN 0.225 nan 8.270 nan 0.000 0.392 94 V N 5.047 124.976 119.914 0.026 0.000 2.481 94 V HA 0.630 4.753 4.120 0.004 0.000 0.286 94 V C -1.028 175.107 176.094 0.068 0.000 1.042 94 V CA -0.433 61.887 62.300 0.033 0.000 0.928 94 V CB 1.542 33.368 31.823 0.005 0.000 0.986 94 V HN 0.577 nan 8.190 nan 0.000 0.462 95 V N 7.144 127.115 119.914 0.095 0.000 2.638 95 V HA 0.612 4.735 4.120 0.004 0.000 0.306 95 V C -0.419 175.687 176.094 0.019 0.000 1.052 95 V CA -0.541 61.809 62.300 0.083 0.000 0.885 95 V CB 1.821 33.753 31.823 0.182 0.000 0.999 95 V HN 1.033 nan 8.190 nan 0.000 0.424 96 E N 3.401 123.592 120.200 -0.014 0.000 2.416 96 E HA 0.899 5.252 4.350 0.004 0.000 0.273 96 E C -1.435 175.134 176.600 -0.051 0.000 0.935 96 E CA -1.341 55.033 56.400 -0.042 0.000 0.784 96 E CB 3.189 32.867 29.700 -0.037 0.000 1.301 96 E HN 0.336 nan 8.360 nan 0.000 0.454 97 K N 0.748 121.111 120.400 -0.061 0.000 2.561 97 K HA 0.283 4.605 4.320 0.004 0.000 0.254 97 K C -1.954 174.603 176.600 -0.071 0.000 0.942 97 K CA -0.575 55.673 56.287 -0.065 0.000 0.818 97 K CB 2.241 34.704 32.500 -0.063 0.000 1.306 97 K HN 0.460 nan 8.250 nan 0.000 0.435 98 V N 4.110 123.956 119.914 -0.113 0.000 2.530 98 V HA 0.479 4.601 4.120 0.004 0.000 0.282 98 V C -0.337 175.733 176.094 -0.039 0.000 1.048 98 V CA -0.588 61.615 62.300 -0.161 0.000 0.997 98 V CB 1.308 32.861 31.823 -0.450 0.000 0.987 98 V HN 0.499 nan 8.190 nan 0.000 0.477 99 V N 5.523 125.467 119.914 0.049 0.000 2.588 99 V HA 0.361 4.483 4.120 0.004 0.000 0.304 99 V C -0.282 175.890 176.094 0.129 0.000 1.042 99 V CA -0.864 61.493 62.300 0.094 0.000 0.877 99 V CB 1.836 33.691 31.823 0.053 0.000 0.996 99 V HN 0.723 nan 8.190 nan 0.000 0.425 100 L N 6.098 127.360 121.223 0.065 0.000 2.513 100 L HA 0.281 4.623 4.340 0.004 0.000 0.272 100 L C -0.181 176.528 176.870 -0.268 0.000 1.187 100 L CA 0.862 55.497 54.840 -0.341 0.000 0.895 100 L CB 0.714 42.613 42.059 -0.266 0.000 1.147 100 L HN 0.462 nan 8.230 nan 0.000 0.483 101 V N 5.279 124.982 119.914 -0.351 0.000 2.427 101 V HA 0.433 4.555 4.120 0.004 0.000 0.286 101 V C 0.315 176.263 176.094 -0.245 0.000 1.034 101 V CA -0.341 61.809 62.300 -0.250 0.000 0.893 101 V CB 1.404 33.059 31.823 -0.279 0.000 0.982 101 V HN 0.946 nan 8.190 nan 0.000 0.452 102 S N 5.021 120.611 115.700 -0.185 0.000 2.541 102 S HA 0.403 4.875 4.470 0.004 0.000 0.283 102 S C 0.526 175.053 174.600 -0.121 0.000 1.196 102 S CA -0.774 57.344 58.200 -0.136 0.000 1.062 102 S CB 0.990 64.128 63.200 -0.103 0.000 1.009 102 S HN 0.495 nan 8.310 nan 0.000 0.502 103 L N 2.838 124.013 121.223 -0.080 0.000 2.591 103 L HA 0.241 4.583 4.340 0.004 0.000 0.228 103 L C 0.767 177.633 176.870 -0.006 0.000 1.133 103 L CA 0.642 55.451 54.840 -0.052 0.000 0.880 103 L CB -1.759 40.289 42.059 -0.018 0.000 1.033 103 L HN 0.733 nan 8.230 nan 0.000 0.450 104 Q N -0.356 119.452 119.800 0.013 0.000 2.244 104 Q HA 0.057 4.399 4.340 0.004 0.000 0.278 104 Q C 1.388 177.443 176.000 0.091 0.000 1.093 104 Q CA 0.092 55.941 55.803 0.077 0.000 0.916 104 Q CB 0.844 29.651 28.738 0.114 0.000 1.159 104 Q HN 0.098 nan 8.270 nan 0.000 0.384 105 S N 1.068 116.769 115.700 0.003 0.000 2.341 105 S HA 0.179 4.652 4.470 0.004 0.000 0.216 105 S C 0.825 175.209 174.600 -0.359 0.000 1.034 105 S CA 0.680 58.774 58.200 -0.176 0.000 0.964 105 S CB 0.134 63.092 63.200 -0.402 0.000 0.882 105 S HN 0.810 nan 8.310 nan 0.000 0.469 106 G N -0.903 107.608 108.800 -0.482 0.000 3.008 106 G HA2 0.559 4.521 3.960 0.004 0.000 0.148 106 G HA3 0.559 4.521 3.960 0.004 0.000 0.148 106 G C -1.943 172.581 174.900 -0.626 0.000 1.184 106 G CA -0.502 44.120 45.100 -0.796 0.000 1.087 106 G HN 0.198 nan 8.290 nan 0.000 0.602 107 Y N -0.395 119.841 120.300 -0.107 0.000 2.492 107 Y HA 0.725 5.277 4.550 0.004 0.000 0.346 107 Y C -0.327 175.035 175.900 -0.896 0.000 0.997 107 Y CA -0.762 57.025 58.100 -0.522 0.000 1.025 107 Y CB 2.338 40.510 38.460 -0.479 0.000 1.263 107 Y HN 0.303 nan 8.280 nan 0.000 0.454 108 L N 4.182 124.381 121.223 -1.707 0.000 2.356 108 L HA 0.590 4.933 4.340 0.004 0.000 0.277 108 L C -1.445 174.717 176.870 -1.179 0.000 0.996 108 L CA -0.590 53.489 54.840 -1.269 0.000 0.822 108 L CB 1.336 42.746 42.059 -1.082 0.000 1.256 108 L HN 0.457 nan 8.230 nan 0.000 0.413 109 F N 3.455 123.306 119.950 -0.164 0.000 2.508 109 F HA 0.612 5.141 4.527 0.003 0.000 0.325 109 F C 0.050 175.909 175.800 0.099 0.000 1.090 109 F CA -0.681 57.331 58.000 0.021 0.000 0.945 109 F CB 1.763 40.815 39.000 0.086 0.000 1.156 109 F HN 0.157 nan 8.300 nan 0.000 0.463 110 I N 2.331 123.070 120.570 0.280 0.000 2.410 110 I HA 0.305 4.477 4.170 0.004 0.000 0.286 110 I C -0.722 175.527 176.117 0.219 0.000 1.009 110 I CA -0.653 60.757 61.300 0.183 0.000 1.111 110 I CB 1.801 39.883 38.000 0.137 0.000 1.262 110 I HN 0.590 nan 8.210 nan 0.000 0.443 111 Q N 5.622 125.538 119.800 0.193 0.000 2.271 111 Q HA 0.498 4.841 4.340 0.004 0.000 0.258 111 Q C -0.817 175.304 176.000 0.202 0.000 0.936 111 Q CA -0.573 55.358 55.803 0.213 0.000 0.909 111 Q CB 1.596 30.490 28.738 0.260 0.000 1.253 111 Q HN 0.741 nan 8.270 nan 0.000 0.440 112 T N 0.321 115.006 114.554 0.218 0.000 2.823 112 T HA 0.156 4.508 4.350 0.004 0.000 0.279 112 T C 0.863 175.703 174.700 0.233 0.000 0.998 112 T CA -0.547 61.698 62.100 0.242 0.000 0.994 112 T CB 1.265 70.298 68.868 0.275 0.000 0.960 112 T HN 0.761 nan 8.240 nan 0.000 0.448 113 D N 2.433 122.969 120.400 0.227 0.000 2.123 113 D HA -0.140 4.502 4.640 0.004 0.000 0.196 113 D C 0.376 176.738 176.300 0.104 0.000 0.992 113 D CA 1.190 55.283 54.000 0.155 0.000 0.833 113 D CB 0.200 41.075 40.800 0.124 0.000 0.954 113 D HN 0.564 nan 8.370 nan 0.000 0.455 114 K N -0.999 119.426 120.400 0.042 0.000 2.352 114 K HA 0.333 4.655 4.320 0.004 0.000 0.240 114 K C 0.963 177.564 176.600 0.002 0.000 1.017 114 K CA -0.186 56.005 56.287 -0.159 0.000 0.851 114 K CB 1.858 33.970 32.500 -0.647 0.000 1.261 114 K HN -0.008 nan 8.250 nan 0.000 0.451 115 T N -2.100 112.478 114.554 0.040 0.000 3.057 115 T HA 0.254 4.606 4.350 0.004 0.000 0.254 115 T C 0.809 175.607 174.700 0.163 0.000 1.094 115 T CA 0.115 62.321 62.100 0.177 0.000 1.088 115 T CB 0.062 69.056 68.868 0.210 0.000 0.934 115 T HN 0.453 nan 8.240 nan 0.000 0.497 116 I N -0.093 120.429 120.570 -0.081 0.000 2.894 116 I HA 0.619 4.791 4.170 0.004 0.000 0.302 116 I C -1.970 174.042 176.117 -0.176 0.000 1.188 116 I CA -1.787 59.517 61.300 0.006 0.000 1.014 116 I CB 2.443 40.352 38.000 -0.152 0.000 1.242 116 I HN 0.084 nan 8.210 nan 0.000 0.430 117 Y N 2.432 122.883 120.300 0.252 0.000 2.552 117 Y HA 0.392 4.944 4.550 0.004 0.000 0.337 117 Y C 0.007 176.035 175.900 0.214 0.000 1.094 117 Y CA -0.755 57.468 58.100 0.204 0.000 1.028 117 Y CB 2.214 40.681 38.460 0.011 0.000 1.321 117 Y HN 0.543 nan 8.280 nan 0.000 0.456 118 T N -0.561 114.078 114.554 0.143 0.000 2.918 118 T HA 0.561 4.913 4.350 0.004 0.000 0.283 118 T C -2.864 171.798 174.700 -0.063 0.000 1.001 118 T CA -2.528 59.528 62.100 -0.073 0.000 1.041 118 T CB 1.435 70.095 68.868 -0.346 0.000 1.028 118 T HN 0.165 nan 8.240 nan 0.000 0.511 119 P HA 0.280 nan 4.420 nan 0.000 0.265 119 P C 1.155 178.376 177.300 -0.131 0.000 1.193 119 P CA 1.172 64.210 63.100 -0.103 0.000 0.765 119 P CB 0.203 31.870 31.700 -0.055 0.000 0.823 120 G N 1.551 110.247 108.800 -0.173 0.000 2.268 120 G HA2 -0.245 3.718 3.960 0.004 0.000 0.240 120 G HA3 -0.245 3.718 3.960 0.004 0.000 0.240 120 G C 0.455 175.250 174.900 -0.175 0.000 1.010 120 G CA 0.330 45.332 45.100 -0.164 0.000 0.618 120 G HN 0.760 nan 8.290 nan 0.000 0.516 121 S N -0.177 115.424 115.700 -0.165 0.000 2.655 121 S HA 0.676 5.148 4.470 0.004 0.000 0.265 121 S C 0.031 174.512 174.600 -0.198 0.000 1.240 121 S CA 0.463 58.587 58.200 -0.127 0.000 0.986 121 S CB 1.673 64.850 63.200 -0.038 0.000 0.985 121 S HN 0.595 nan 8.310 nan 0.000 0.562 122 T N 1.337 115.813 114.554 -0.130 0.000 2.771 122 T HA 0.460 4.812 4.350 0.004 0.000 0.281 122 T C -0.483 174.144 174.700 -0.121 0.000 0.982 122 T CA -0.580 61.416 62.100 -0.174 0.000 0.978 122 T CB 1.073 69.875 68.868 -0.111 0.000 0.930 122 T HN 0.482 nan 8.240 nan 0.000 0.447 123 V N 5.568 125.309 119.914 -0.288 0.000 2.432 123 V HA 0.309 4.431 4.120 0.004 0.000 0.271 123 V C 0.094 176.183 176.094 -0.008 0.000 1.046 123 V CA -0.525 61.540 62.300 -0.392 0.000 0.945 123 V CB 0.359 31.684 31.823 -0.829 0.000 0.992 123 V HN 0.694 nan 8.190 nan 0.000 0.471 124 L N 7.251 128.528 121.223 0.090 0.000 2.295 124 L HA 0.656 4.998 4.340 0.004 0.000 0.285 124 L C -0.635 176.350 176.870 0.192 0.000 1.035 124 L CA -0.611 54.283 54.840 0.091 0.000 0.806 124 L CB 1.053 43.143 42.059 0.053 0.000 1.214 124 L HN 0.775 nan 8.230 nan 0.000 0.426 125 Y N 0.762 121.041 120.300 -0.035 0.000 2.544 125 Y HA 0.739 5.291 4.550 0.003 0.000 0.342 125 Y C -0.976 174.868 175.900 -0.094 0.000 1.062 125 Y CA -1.330 56.746 58.100 -0.040 0.000 1.023 125 Y CB 1.491 39.936 38.460 -0.025 0.000 1.308 125 Y HN 0.388 nan 8.280 nan 0.000 0.457 126 R N 2.708 123.168 120.500 -0.067 0.000 2.711 126 R HA 0.701 5.043 4.340 0.004 0.000 0.284 126 R C -1.446 174.637 176.300 -0.360 0.000 0.968 126 R CA -0.988 54.924 56.100 -0.313 0.000 0.924 126 R CB 2.533 32.546 30.300 -0.479 0.000 1.162 126 R HN 0.774 nan 8.270 nan 0.000 0.465 127 I N 3.173 123.513 120.570 -0.383 0.000 2.362 127 I HA 0.290 4.462 4.170 0.004 0.000 0.289 127 I C -0.900 174.989 176.117 -0.381 0.000 0.994 127 I CA -0.611 60.514 61.300 -0.292 0.000 1.158 127 I CB 1.072 38.992 38.000 -0.132 0.000 1.315 127 I HN 0.347 nan 8.210 nan 0.000 0.451 128 F N 3.734 123.703 119.950 0.032 0.000 2.405 128 F HA 0.325 4.854 4.527 0.003 0.000 0.355 128 F C 0.763 176.569 175.800 0.009 0.000 1.121 128 F CA -0.769 57.262 58.000 0.052 0.000 1.112 128 F CB 1.385 40.461 39.000 0.128 0.000 1.126 128 F HN 0.307 nan 8.300 nan 0.000 0.481 129 T N 1.627 116.291 114.554 0.182 0.000 2.788 129 T HA 0.713 5.065 4.350 0.004 0.000 0.296 129 T C -0.549 174.272 174.700 0.202 0.000 1.009 129 T CA -0.714 61.464 62.100 0.129 0.000 0.949 129 T CB 0.642 69.580 68.868 0.117 0.000 0.946 129 T HN 0.531 nan 8.240 nan 0.000 0.453 130 V N 0.927 120.972 119.914 0.218 0.000 3.078 130 V HA 0.789 4.911 4.120 0.004 0.000 0.311 130 V C -0.400 175.765 176.094 0.119 0.000 1.138 130 V CA -1.446 60.963 62.300 0.181 0.000 1.007 130 V CB 1.818 33.770 31.823 0.216 0.000 1.045 130 V HN 0.921 nan 8.190 nan 0.000 0.432 131 N N 0.532 119.259 118.700 0.045 0.000 2.374 131 N HA 0.228 4.970 4.740 0.004 0.000 0.284 131 N C 0.798 176.290 175.510 -0.029 0.000 1.280 131 N CA -0.034 52.969 53.050 -0.078 0.000 0.963 131 N CB -0.365 38.100 38.487 -0.037 0.000 1.141 131 N HN 0.764 nan 8.380 nan 0.000 0.565 132 H N -1.094 117.982 119.070 0.009 0.000 2.546 132 H HA 0.075 4.633 4.556 0.003 0.000 0.277 132 H C 0.389 175.860 175.328 0.240 0.000 1.004 132 H CA 0.800 56.904 56.048 0.094 0.000 1.231 132 H CB 0.238 29.992 29.762 -0.015 0.000 1.382 132 H HN 0.547 nan 8.280 nan 0.000 0.580 133 K N 0.642 121.196 120.400 0.256 0.000 2.458 133 K HA 0.096 4.418 4.320 0.004 0.000 0.194 133 K C 0.548 177.279 176.600 0.218 0.000 1.024 133 K CA -0.110 56.308 56.287 0.218 0.000 1.108 133 K CB 0.476 33.058 32.500 0.137 0.000 0.846 133 K HN 0.108 nan 8.250 nan 0.000 0.518 134 L N 1.025 122.399 121.223 0.252 0.000 3.737 134 L HA -0.254 4.088 4.340 0.004 0.000 0.418 134 L C -0.708 176.227 176.870 0.108 0.000 1.216 134 L CA 0.336 55.280 54.840 0.173 0.000 0.915 134 L CB -1.599 40.484 42.059 0.041 0.000 1.834 134 L HN 0.247 nan 8.230 nan 0.000 0.943 135 L N 0.785 122.076 121.223 0.114 0.000 2.334 135 L HA 0.600 4.942 4.340 0.004 0.000 0.273 135 L C -1.842 175.076 176.870 0.080 0.000 1.013 135 L CA -1.881 53.007 54.840 0.080 0.000 0.816 135 L CB 1.894 43.995 42.059 0.071 0.000 1.278 135 L HN -0.204 nan 8.230 nan 0.000 0.431 136 P HA 0.077 nan 4.420 nan 0.000 0.271 136 P C -0.763 176.577 177.300 0.067 0.000 1.216 136 P CA 0.069 63.219 63.100 0.083 0.000 0.771 136 P CB 1.995 33.739 31.700 0.073 0.000 0.864 137 V N 2.664 122.624 119.914 0.077 0.000 3.103 137 V HA 0.788 4.910 4.120 0.004 0.000 0.318 137 V C 0.285 176.417 176.094 0.063 0.000 1.114 137 V CA -0.693 61.636 62.300 0.049 0.000 1.020 137 V CB 2.195 34.024 31.823 0.010 0.000 1.085 137 V HN 0.678 nan 8.190 nan 0.000 0.446 138 G N 3.581 112.406 108.800 0.042 0.000 3.818 138 G HA2 0.490 4.452 3.960 0.004 0.000 0.338 138 G HA3 0.490 4.452 3.960 0.004 0.000 0.338 138 G C -0.166 174.761 174.900 0.044 0.000 1.318 138 G CA -0.496 44.631 45.100 0.045 0.000 1.242 138 G HN 0.600 nan 8.290 nan 0.000 0.493 139 R N 0.195 120.746 120.500 0.085 0.000 2.867 139 R HA 0.636 4.978 4.340 0.004 0.000 0.227 139 R C -0.522 175.840 176.300 0.103 0.000 1.372 139 R CA -0.629 55.529 56.100 0.097 0.000 1.083 139 R CB 1.074 31.462 30.300 0.146 0.000 1.596 139 R HN 0.262 nan 8.270 nan 0.000 0.522 140 T N 1.349 115.966 114.554 0.105 0.000 2.772 140 T HA 0.341 4.693 4.350 0.004 0.000 0.288 140 T C -0.213 174.515 174.700 0.046 0.000 0.994 140 T CA -0.581 61.552 62.100 0.055 0.000 0.951 140 T CB 1.345 70.231 68.868 0.031 0.000 0.933 140 T HN 0.132 nan 8.240 nan 0.000 0.447 141 V N 3.906 123.797 119.914 -0.040 0.000 2.716 141 V HA 0.575 4.697 4.120 0.004 0.000 0.304 141 V C -0.005 175.950 176.094 -0.232 0.000 1.053 141 V CA -0.992 61.208 62.300 -0.167 0.000 0.984 141 V CB 1.722 33.411 31.823 -0.222 0.000 1.021 141 V HN 0.792 nan 8.190 nan 0.000 0.467 142 M N 3.759 123.088 119.600 -0.453 0.000 2.294 142 M HA 0.645 5.128 4.480 0.004 0.000 0.335 142 M C -1.093 174.944 176.300 -0.437 0.000 1.079 142 M CA -0.067 54.936 55.300 -0.495 0.000 0.982 142 M CB 1.638 33.770 32.600 -0.780 0.000 1.651 142 M HN 0.431 nan 8.290 nan 0.000 0.437 143 V N 4.486 124.288 119.914 -0.187 0.000 2.604 143 V HA 0.622 4.744 4.120 0.004 0.000 0.305 143 V C -0.974 175.105 176.094 -0.024 0.000 1.043 143 V CA -0.820 61.437 62.300 -0.071 0.000 0.888 143 V CB 2.195 34.025 31.823 0.011 0.000 0.995 143 V HN 0.843 nan 8.190 nan 0.000 0.429 144 N N 3.230 121.927 118.700 -0.004 0.000 2.504 144 N HA 0.575 5.317 4.740 0.004 0.000 0.280 144 N C -0.935 174.524 175.510 -0.085 0.000 1.052 144 N CA -0.331 52.705 53.050 -0.023 0.000 0.887 144 N CB 1.681 40.189 38.487 0.036 0.000 1.323 144 N HN 0.602 nan 8.380 nan 0.000 0.509 145 I N 0.976 121.445 120.570 -0.168 0.000 2.428 145 I HA 0.258 4.431 4.170 0.004 0.000 0.289 145 I C 0.334 176.342 176.117 -0.182 0.000 1.019 145 I CA -0.196 60.964 61.300 -0.235 0.000 1.351 145 I CB 1.061 38.742 38.000 -0.531 0.000 1.412 145 I HN 0.449 nan 8.210 nan 0.000 0.513 146 E N 6.602 126.733 120.200 -0.115 0.000 2.274 146 E HA 0.173 4.525 4.350 0.004 0.000 0.269 146 E C -0.971 175.445 176.600 -0.307 0.000 0.891 146 E CA -0.843 55.458 56.400 -0.165 0.000 0.784 146 E CB 1.175 30.787 29.700 -0.147 0.000 1.225 146 E HN 0.680 nan 8.360 nan 0.000 0.412 147 N N 4.199 122.562 118.700 -0.560 0.000 2.326 147 N HA 0.105 4.847 4.740 0.004 0.000 0.239 147 N C -1.838 173.120 175.510 -0.920 0.000 1.301 147 N CA -1.054 51.197 53.050 -1.331 0.000 0.909 147 N CB 0.266 38.092 38.487 -1.102 0.000 1.156 147 N HN 0.239 nan 8.380 nan 0.000 0.462 148 P HA -0.164 nan 4.420 nan 0.000 0.217 148 P C 0.575 177.679 177.300 -0.327 0.000 1.148 148 P CA 1.745 64.520 63.100 -0.542 0.000 0.828 148 P CB -0.017 31.439 31.700 -0.407 0.000 0.783 149 E N -1.142 118.877 120.200 -0.302 0.000 2.451 149 E HA 0.214 4.566 4.350 0.004 0.000 0.194 149 E C 0.669 177.164 176.600 -0.176 0.000 1.027 149 E CA 0.317 56.600 56.400 -0.194 0.000 0.914 149 E CB -0.804 28.805 29.700 -0.151 0.000 1.054 149 E HN 0.143 nan 8.360 nan 0.000 0.461 150 G N 1.658 110.332 108.800 -0.210 0.000 2.132 150 G HA2 -0.176 3.787 3.960 0.004 0.000 0.228 150 G HA3 -0.176 3.787 3.960 0.004 0.000 0.228 150 G C -0.066 174.747 174.900 -0.144 0.000 1.000 150 G CA -0.003 44.999 45.100 -0.163 0.000 0.693 150 G HN 0.304 nan 8.290 nan 0.000 0.515 151 I N 1.079 121.546 120.570 -0.172 0.000 2.312 151 I HA 0.328 4.500 4.170 0.004 0.000 0.290 151 I C -1.874 174.167 176.117 -0.126 0.000 1.008 151 I CA -3.265 57.959 61.300 -0.128 0.000 1.226 151 I CB 0.730 38.662 38.000 -0.113 0.000 1.371 151 I HN -0.157 nan 8.210 nan 0.000 0.468 152 P HA 0.074 nan 4.420 nan 0.000 0.268 152 P C 0.786 178.049 177.300 -0.063 0.000 1.208 152 P CA 0.206 63.258 63.100 -0.080 0.000 0.777 152 P CB 0.952 32.622 31.700 -0.049 0.000 0.875 153 V N -1.621 118.245 119.914 -0.079 0.000 3.155 153 V HA 0.330 4.452 4.120 0.004 0.000 0.225 153 V C 0.330 176.386 176.094 -0.063 0.000 1.462 153 V CA 0.460 62.740 62.300 -0.034 0.000 1.270 153 V CB -0.299 31.552 31.823 0.046 0.000 1.112 153 V HN 0.294 nan 8.190 nan 0.000 0.479 154 K N 0.956 121.234 120.400 -0.203 0.000 2.316 154 K HA 0.683 5.005 4.320 0.004 0.000 0.251 154 K C -1.463 175.065 176.600 -0.121 0.000 0.934 154 K CA -0.400 55.790 56.287 -0.162 0.000 0.802 154 K CB 2.226 34.552 32.500 -0.291 0.000 1.171 154 K HN 0.539 nan 8.250 nan 0.000 0.426 155 Q N 2.020 121.793 119.800 -0.046 0.000 2.359 155 Q HA 0.393 4.735 4.340 0.004 0.000 0.274 155 Q C -1.477 174.520 176.000 -0.005 0.000 1.074 155 Q CA -1.027 54.762 55.803 -0.024 0.000 0.810 155 Q CB 2.574 31.307 28.738 -0.009 0.000 1.342 155 Q HN 0.501 nan 8.270 nan 0.000 0.427 156 D N 0.414 120.808 120.400 -0.009 0.000 2.552 156 D HA 0.483 5.125 4.640 0.004 0.000 0.239 156 D C -1.161 175.115 176.300 -0.039 0.000 1.139 156 D CA -0.399 53.595 54.000 -0.010 0.000 0.914 156 D CB 2.383 43.188 40.800 0.008 0.000 1.461 156 D HN 0.331 nan 8.370 nan 0.000 0.462 157 S N 1.347 117.025 115.700 -0.036 0.000 2.571 157 S HA 0.518 4.990 4.470 0.004 0.000 0.238 157 S C -1.687 172.891 174.600 -0.038 0.000 1.153 157 S CA -0.646 57.524 58.200 -0.050 0.000 1.141 157 S CB -0.042 63.137 63.200 -0.035 0.000 1.133 157 S HN 0.249 nan 8.310 nan 0.000 0.464 158 L N 2.116 123.311 121.223 -0.047 0.000 2.327 158 L HA 0.707 5.049 4.340 0.004 0.000 0.258 158 L C 0.157 177.009 176.870 -0.029 0.000 1.024 158 L CA -0.672 54.147 54.840 -0.035 0.000 0.825 158 L CB 1.564 43.598 42.059 -0.041 0.000 1.386 158 L HN 0.619 nan 8.230 nan 0.000 0.417 159 S N -0.568 115.123 115.700 -0.015 0.000 2.482 159 S HA 0.422 4.894 4.470 0.004 0.000 0.303 159 S C 0.368 174.968 174.600 0.001 0.000 1.091 159 S CA -0.284 57.916 58.200 0.001 0.000 1.057 159 S CB 1.175 64.380 63.200 0.009 0.000 1.031 159 S HN 0.633 nan 8.310 nan 0.000 0.485 160 S N 3.257 118.966 115.700 0.015 0.000 2.667 160 S HA 0.215 4.687 4.470 0.004 0.000 0.251 160 S C 0.169 174.784 174.600 0.026 0.000 1.075 160 S CA -0.434 57.777 58.200 0.018 0.000 1.130 160 S CB -0.237 62.982 63.200 0.032 0.000 0.795 160 S HN 0.698 nan 8.310 nan 0.000 0.462 161 Q N 2.349 122.160 119.800 0.019 0.000 2.352 161 Q HA 0.287 4.629 4.340 0.004 0.000 0.260 161 Q C 0.092 176.100 176.000 0.013 0.000 0.976 161 Q CA 0.630 56.444 55.803 0.018 0.000 0.881 161 Q CB -0.088 28.658 28.738 0.014 0.000 1.235 161 Q HN 0.618 nan 8.270 nan 0.000 0.419 162 N N 2.338 121.047 118.700 0.015 0.000 2.716 162 N HA -0.298 4.444 4.740 0.004 0.000 0.250 162 N C -0.297 175.220 175.510 0.011 0.000 1.033 162 N CA 0.650 53.708 53.050 0.012 0.000 0.727 162 N CB -0.413 38.078 38.487 0.008 0.000 0.950 162 N HN 0.612 nan 8.380 nan 0.000 0.541 163 Q N -0.223 119.587 119.800 0.017 0.000 2.179 163 Q HA 0.333 4.675 4.340 0.004 0.000 0.244 163 Q C 0.419 176.437 176.000 0.030 0.000 0.808 163 Q CA -0.390 55.423 55.803 0.017 0.000 0.955 163 Q CB 0.690 29.436 28.738 0.013 0.000 1.141 163 Q HN 0.363 nan 8.270 nan 0.000 0.485 164 L N 0.299 121.543 121.223 0.036 0.000 4.232 164 L HA -0.240 4.102 4.340 0.004 0.000 0.415 164 L C 0.647 177.563 176.870 0.077 0.000 1.168 164 L CA 1.468 56.337 54.840 0.049 0.000 0.966 164 L CB -2.202 39.883 42.059 0.043 0.000 2.052 164 L HN 0.589 nan 8.230 nan 0.000 0.887 165 G N -0.590 108.257 108.800 0.077 0.000 2.295 165 G HA2 -0.236 3.726 3.960 0.004 0.000 0.287 165 G HA3 -0.236 3.726 3.960 0.004 0.000 0.287 165 G C 0.071 175.061 174.900 0.149 0.000 1.055 165 G CA 0.353 45.517 45.100 0.108 0.000 0.922 165 G HN 0.554 nan 8.290 nan 0.000 0.503 166 V N 0.692 120.658 119.914 0.088 0.000 2.447 166 V HA 0.510 4.632 4.120 0.004 0.000 0.292 166 V C 0.286 176.339 176.094 -0.069 0.000 1.021 166 V CA -0.726 61.596 62.300 0.037 0.000 0.850 166 V CB 1.849 33.739 31.823 0.111 0.000 1.005 166 V HN 0.313 nan 8.190 nan 0.000 0.426 167 L N 7.869 128.997 121.223 -0.158 0.000 2.277 167 L HA 0.501 4.843 4.340 0.004 0.000 0.284 167 L C -2.362 174.380 176.870 -0.214 0.000 1.028 167 L CA -1.537 53.211 54.840 -0.152 0.000 0.835 167 L CB 2.346 44.324 42.059 -0.135 0.000 1.215 167 L HN 0.419 nan 8.230 nan 0.000 0.425 168 P HA 0.443 nan 4.420 nan 0.000 0.293 168 P C -0.944 176.183 177.300 -0.289 0.000 1.300 168 P CA -0.229 62.737 63.100 -0.223 0.000 0.792 168 P CB 1.602 33.215 31.700 -0.145 0.000 0.925 169 L N 1.864 122.790 121.223 -0.494 0.000 2.403 169 L HA 0.729 5.071 4.340 0.004 0.000 0.253 169 L C 0.147 176.535 176.870 -0.805 0.000 1.045 169 L CA -0.622 53.821 54.840 -0.662 0.000 0.845 169 L CB 2.344 43.894 42.059 -0.848 0.000 1.447 169 L HN 0.488 nan 8.230 nan 0.000 0.411 170 S N -1.071 114.346 115.700 -0.472 0.000 2.643 170 S HA 0.735 5.207 4.470 0.004 0.000 0.270 170 S C -2.292 172.469 174.600 0.268 0.000 1.166 170 S CA -0.721 57.426 58.200 -0.089 0.000 0.815 170 S CB 2.251 65.411 63.200 -0.067 0.000 1.139 170 S HN 0.686 nan 8.310 nan 0.000 0.472 171 W N 1.549 122.882 121.300 0.055 0.000 3.775 171 W HA 0.469 5.131 4.660 0.004 0.000 0.315 171 W C -2.318 174.163 176.519 -0.064 0.000 1.169 171 W CA -0.475 56.885 57.345 0.025 0.000 1.266 171 W CB 1.008 30.515 29.460 0.078 0.000 1.269 171 W HN 0.684 nan 8.180 nan 0.000 0.471 172 D N 6.141 126.198 120.400 -0.573 0.000 2.338 172 D HA 0.212 4.854 4.640 0.004 0.000 0.255 172 D C 0.588 176.161 176.300 -1.212 0.000 1.237 172 D CA 0.426 54.030 54.000 -0.660 0.000 0.883 172 D CB 0.901 41.494 40.800 -0.344 0.000 1.087 172 D HN 0.340 nan 8.370 nan 0.000 0.485 173 I N 5.096 124.977 120.570 -1.148 0.000 2.517 173 I HA 0.066 4.239 4.170 0.004 0.000 0.285 173 I C -1.688 174.074 176.117 -0.592 0.000 1.106 173 I CA -1.507 59.081 61.300 -1.187 0.000 1.402 173 I CB 0.379 37.883 38.000 -0.826 0.000 1.399 173 I HN 0.069 nan 8.210 nan 0.000 0.535 174 P HA 0.064 nan 4.420 nan 0.000 0.272 174 P C 0.230 177.461 177.300 -0.115 0.000 1.240 174 P CA -0.204 62.796 63.100 -0.167 0.000 0.791 174 P CB 1.188 32.874 31.700 -0.022 0.000 0.978 175 E N 0.408 120.566 120.200 -0.070 0.000 2.016 175 E HA -0.029 4.323 4.350 0.004 0.000 0.190 175 E C 0.697 177.292 176.600 -0.009 0.000 0.985 175 E CA 1.123 57.493 56.400 -0.050 0.000 0.802 175 E CB -0.389 29.287 29.700 -0.041 0.000 0.762 175 E HN 0.442 nan 8.360 nan 0.000 0.448 176 L N 1.851 123.083 121.223 0.015 0.000 2.375 176 L HA 0.171 4.513 4.340 0.004 0.000 0.276 176 L C 0.002 176.922 176.870 0.084 0.000 1.162 176 L CA -0.293 54.572 54.840 0.043 0.000 0.991 176 L CB 0.736 42.817 42.059 0.038 0.000 1.315 176 L HN -0.161 nan 8.230 nan 0.000 0.431 177 V N 3.097 123.079 119.914 0.112 0.000 3.130 177 V HA 0.362 4.484 4.120 0.004 0.000 0.310 177 V C -0.131 176.117 176.094 0.256 0.000 1.158 177 V CA -0.769 61.659 62.300 0.213 0.000 1.029 177 V CB 2.848 34.804 31.823 0.222 0.000 1.057 177 V HN 0.671 nan 8.190 nan 0.000 0.436 178 N N 2.065 120.979 118.700 0.357 0.000 2.453 178 N HA 0.281 5.023 4.740 0.004 0.000 0.253 178 N C -0.891 174.870 175.510 0.419 0.000 1.252 178 N CA -0.167 53.058 53.050 0.291 0.000 0.917 178 N CB 0.580 39.156 38.487 0.147 0.000 1.117 178 N HN 0.479 nan 8.380 nan 0.000 0.442 179 M N 1.433 121.199 119.600 0.275 0.000 2.181 179 M HA 0.412 4.894 4.480 0.004 0.000 0.323 179 M C 0.059 176.500 176.300 0.236 0.000 1.004 179 M CA -0.036 55.434 55.300 0.284 0.000 0.941 179 M CB 1.506 34.211 32.600 0.175 0.000 1.579 179 M HN 0.693 nan 8.290 nan 0.000 0.427 180 G N 1.884 110.875 108.800 0.319 0.000 2.404 180 G HA2 0.160 4.123 3.960 0.004 0.000 0.253 180 G HA3 0.160 4.123 3.960 0.004 0.000 0.253 180 G C -1.862 173.192 174.900 0.256 0.000 1.253 180 G CA -0.848 44.366 45.100 0.191 0.000 0.917 180 G HN 0.371 nan 8.290 nan 0.000 0.480 181 Q N 0.439 120.293 119.800 0.090 0.000 2.406 181 Q HA 0.361 4.703 4.340 0.004 0.000 0.242 181 Q C -1.014 174.951 176.000 -0.059 0.000 1.036 181 Q CA -0.092 55.744 55.803 0.056 0.000 0.904 181 Q CB 0.876 29.613 28.738 -0.002 0.000 1.244 181 Q HN 0.420 nan 8.270 nan 0.000 0.478 182 W N 2.021 123.090 121.300 -0.384 0.000 2.253 182 W HA 0.371 5.034 4.660 0.003 0.000 0.348 182 W C 0.229 176.334 176.519 -0.689 0.000 1.229 182 W CA -0.345 56.642 57.345 -0.596 0.000 1.335 182 W CB 0.700 29.618 29.460 -0.903 0.000 1.165 182 W HN 0.226 nan 8.180 nan 0.000 0.631 183 K N 1.109 121.335 120.400 -0.289 0.000 2.426 183 K HA 0.591 4.913 4.320 0.004 0.000 0.251 183 K C -1.099 175.441 176.600 -0.100 0.000 0.941 183 K CA -0.537 55.637 56.287 -0.189 0.000 0.808 183 K CB 1.995 34.424 32.500 -0.119 0.000 1.265 183 K HN 0.240 nan 8.250 nan 0.000 0.432 184 I N 2.131 122.687 120.570 -0.023 0.000 2.378 184 I HA 0.440 4.612 4.170 0.004 0.000 0.291 184 I C -0.491 175.622 176.117 -0.006 0.000 0.992 184 I CA -0.814 60.459 61.300 -0.045 0.000 1.154 184 I CB 1.755 39.687 38.000 -0.113 0.000 1.315 184 I HN 0.303 nan 8.210 nan 0.000 0.448 185 R N 4.771 125.272 120.500 0.002 0.000 2.422 185 R HA 0.669 5.011 4.340 0.004 0.000 0.307 185 R C -0.948 175.423 176.300 0.118 0.000 1.004 185 R CA -0.333 55.808 56.100 0.068 0.000 0.882 185 R CB 1.941 32.275 30.300 0.056 0.000 1.164 185 R HN 0.747 nan 8.270 nan 0.000 0.489 186 A N 3.120 126.022 122.820 0.137 0.000 2.330 186 A HA 0.714 5.036 4.320 0.004 0.000 0.327 186 A C -1.300 176.414 177.584 0.217 0.000 1.155 186 A CA -0.643 51.440 52.037 0.076 0.000 0.803 186 A CB 0.620 19.606 19.000 -0.023 0.000 1.208 186 A HN 0.726 nan 8.150 nan 0.000 0.477 187 Y N -0.860 119.447 120.300 0.012 0.000 2.571 187 Y HA 0.679 5.231 4.550 0.003 0.000 0.341 187 Y C -1.104 174.783 175.900 -0.021 0.000 1.076 187 Y CA -1.609 56.521 58.100 0.050 0.000 1.029 187 Y CB 0.641 39.141 38.460 0.067 0.000 1.308 187 Y HN 0.585 nan 8.280 nan 0.000 0.461 188 Y N 1.967 122.376 120.300 0.182 0.000 2.497 188 Y HA 0.024 4.577 4.550 0.005 0.000 0.334 188 Y C 1.871 177.830 175.900 0.098 0.000 1.199 188 Y CA 0.486 58.623 58.100 0.061 0.000 1.425 188 Y CB 1.033 39.533 38.460 0.067 0.000 1.291 188 Y HN 0.931 nan 8.280 nan 0.000 0.562 189 E N 1.618 121.934 120.200 0.193 0.000 2.114 189 E HA -0.329 4.023 4.350 0.004 0.000 0.199 189 E C 1.043 177.766 176.600 0.206 0.000 1.008 189 E CA 1.961 58.450 56.400 0.148 0.000 0.810 189 E CB 0.057 29.811 29.700 0.090 0.000 0.739 189 E HN 0.722 nan 8.360 nan 0.000 0.456 190 N N -0.399 118.413 118.700 0.187 0.000 2.494 190 N HA -0.020 4.722 4.740 0.004 0.000 0.182 190 N C -0.211 175.389 175.510 0.149 0.000 1.076 190 N CA 0.610 53.741 53.050 0.135 0.000 0.908 190 N CB 0.645 39.172 38.487 0.067 0.000 0.967 190 N HN -0.092 nan 8.380 nan 0.000 0.449 191 S N 0.331 116.167 115.700 0.226 0.000 2.327 191 S HA 0.279 4.752 4.470 0.004 0.000 0.203 191 S C -2.154 172.542 174.600 0.159 0.000 1.326 191 S CA -0.905 57.403 58.200 0.179 0.000 1.248 191 S CB 1.533 64.854 63.200 0.203 0.000 1.199 191 S HN 0.044 nan 8.310 nan 0.000 0.422 192 P HA -0.182 nan 4.420 nan 0.000 0.226 192 P C 1.714 178.844 177.300 -0.284 0.000 1.146 192 P CA 0.950 63.908 63.100 -0.236 0.000 0.773 192 P CB 0.093 31.694 31.700 -0.165 0.000 0.772 193 Q N -0.719 119.005 119.800 -0.127 0.000 2.302 193 Q HA -0.062 4.280 4.340 0.004 0.000 0.202 193 Q C 1.054 176.973 176.000 -0.135 0.000 0.936 193 Q CA 0.781 56.509 55.803 -0.125 0.000 0.886 193 Q CB -0.506 28.188 28.738 -0.074 0.000 0.986 193 Q HN 0.305 nan 8.270 nan 0.000 0.487 194 Q N 1.627 121.370 119.800 -0.095 0.000 2.566 194 Q HA 0.358 4.700 4.340 0.004 0.000 0.221 194 Q C -1.457 174.412 176.000 -0.218 0.000 1.195 194 Q CA -0.252 55.451 55.803 -0.167 0.000 0.967 194 Q CB 0.764 29.478 28.738 -0.040 0.000 1.337 194 Q HN 0.050 nan 8.270 nan 0.000 0.553 195 V N 4.690 124.424 119.914 -0.301 0.000 2.427 195 V HA 0.396 4.519 4.120 0.004 0.000 0.286 195 V C -0.534 175.368 176.094 -0.320 0.000 1.034 195 V CA -0.382 61.818 62.300 -0.166 0.000 0.893 195 V CB 0.947 32.698 31.823 -0.120 0.000 0.982 195 V HN 0.512 nan 8.190 nan 0.000 0.452 196 F N 2.494 122.460 119.950 0.026 0.000 2.421 196 F HA 0.631 5.160 4.527 0.004 0.000 0.337 196 F C 0.746 176.554 175.800 0.014 0.000 1.105 196 F CA -0.094 57.908 58.000 0.003 0.000 1.049 196 F CB 1.891 40.861 39.000 -0.049 0.000 1.139 196 F HN 0.386 nan 8.300 nan 0.000 0.479 197 S N 0.436 116.243 115.700 0.179 0.000 2.689 197 S HA 0.842 5.315 4.470 0.004 0.000 0.306 197 S C -0.820 173.856 174.600 0.128 0.000 1.104 197 S CA -0.746 57.520 58.200 0.109 0.000 0.973 197 S CB 2.167 65.398 63.200 0.051 0.000 1.121 197 S HN 0.569 nan 8.310 nan 0.000 0.523 198 T N 1.734 116.349 114.554 0.100 0.000 3.435 198 T HA 0.241 4.593 4.350 0.004 0.000 0.344 198 T C -1.404 173.364 174.700 0.113 0.000 1.211 198 T CA -0.597 61.580 62.100 0.129 0.000 1.104 198 T CB 1.372 70.340 68.868 0.166 0.000 1.196 198 T HN 0.538 nan 8.240 nan 0.000 0.471 199 E N 2.189 122.451 120.200 0.104 0.000 2.301 199 E HA 0.602 4.954 4.350 0.004 0.000 0.275 199 E C -0.898 175.824 176.600 0.204 0.000 1.030 199 E CA -0.585 55.850 56.400 0.057 0.000 0.852 199 E CB 0.964 30.688 29.700 0.039 0.000 1.060 199 E HN 0.531 nan 8.360 nan 0.000 0.401 200 F N -0.450 119.613 119.950 0.188 0.000 2.569 200 F HA 0.427 4.956 4.527 0.003 0.000 0.312 200 F C -0.430 175.537 175.800 0.277 0.000 1.109 200 F CA -1.251 56.898 58.000 0.248 0.000 0.919 200 F CB 0.920 40.092 39.000 0.287 0.000 1.211 200 F HN 0.261 nan 8.300 nan 0.000 0.446 201 E N 2.603 123.062 120.200 0.432 0.000 2.331 201 E HA 0.575 4.927 4.350 0.004 0.000 0.272 201 E C -1.476 175.380 176.600 0.428 0.000 1.036 201 E CA -0.674 55.927 56.400 0.334 0.000 0.864 201 E CB 1.545 31.371 29.700 0.210 0.000 1.035 201 E HN 0.666 nan 8.360 nan 0.000 0.408 202 V N 4.564 124.698 119.914 0.368 0.000 2.628 202 V HA 0.567 4.690 4.120 0.004 0.000 0.306 202 V C -0.279 175.981 176.094 0.277 0.000 1.045 202 V CA -0.585 61.898 62.300 0.306 0.000 0.905 202 V CB 1.711 33.631 31.823 0.162 0.000 0.997 202 V HN 0.737 nan 8.190 nan 0.000 0.436 203 K N 2.323 122.887 120.400 0.272 0.000 2.639 203 K HA 0.341 4.663 4.320 0.004 0.000 0.279 203 K C -1.421 175.316 176.600 0.229 0.000 0.976 203 K CA -0.686 55.755 56.287 0.256 0.000 0.861 203 K CB 2.075 34.743 32.500 0.279 0.000 1.436 203 K HN 0.771 nan 8.250 nan 0.000 0.400 204 E N 2.782 123.064 120.200 0.136 0.000 2.130 204 E HA 0.269 4.621 4.350 0.004 0.000 0.284 204 E C -1.191 175.463 176.600 0.091 0.000 1.018 204 E CA -0.363 56.048 56.400 0.018 0.000 0.817 204 E CB 0.583 30.288 29.700 0.009 0.000 1.078 204 E HN 0.415 nan 8.360 nan 0.000 0.396 205 Y N -0.325 119.975 120.300 0.000 0.000 2.725 205 Y HA 0.635 5.187 4.550 0.004 0.000 0.333 205 Y C -1.369 174.520 175.900 -0.019 0.000 1.242 205 Y CA -1.429 56.665 58.100 -0.010 0.000 1.059 205 Y CB 0.698 39.149 38.460 -0.015 0.000 1.306 205 Y HN 0.171 nan 8.280 nan 0.000 0.454 206 V N -0.133 119.934 119.914 0.255 0.000 2.876 206 V HA 0.647 4.769 4.120 0.004 0.000 0.312 206 V C -0.907 175.317 176.094 0.218 0.000 1.085 206 V CA -1.216 61.194 62.300 0.183 0.000 0.945 206 V CB 1.591 33.451 31.823 0.062 0.000 1.017 206 V HN 0.835 nan 8.190 nan 0.000 0.428 207 L N 5.347 126.669 121.223 0.165 0.000 2.540 207 L HA 0.373 4.715 4.340 0.004 0.000 0.276 207 L C -1.760 175.127 176.870 0.029 0.000 1.212 207 L CA -0.251 54.625 54.840 0.060 0.000 0.893 207 L CB -0.676 41.401 42.059 0.030 0.000 1.138 207 L HN 0.657 nan 8.230 nan 0.000 0.491 208 P HA 0.223 nan 4.420 nan 0.000 0.274 208 P C 0.173 177.489 177.300 0.027 0.000 1.256 208 P CA -0.492 62.579 63.100 -0.049 0.000 0.795 208 P CB 0.546 32.115 31.700 -0.220 0.000 1.038 209 S N -0.704 115.087 115.700 0.152 0.000 2.528 209 S HA 0.210 4.682 4.470 0.004 0.000 0.219 209 S C 0.397 175.241 174.600 0.408 0.000 0.985 209 S CA -0.045 58.353 58.200 0.331 0.000 0.914 209 S CB -0.918 62.574 63.200 0.486 0.000 0.776 209 S HN 0.585 nan 8.310 nan 0.000 0.526 210 F N 0.365 120.293 119.950 -0.038 0.000 2.686 210 F HA 0.745 5.274 4.527 0.004 0.000 0.311 210 F C -0.981 174.738 175.800 -0.136 0.000 1.128 210 F CA -1.355 56.541 58.000 -0.173 0.000 0.946 210 F CB 0.944 39.648 39.000 -0.493 0.000 1.336 210 F HN 0.081 nan 8.300 nan 0.000 0.457 211 E N 1.129 121.264 120.200 -0.108 0.000 2.227 211 E HA 0.751 5.103 4.350 0.004 0.000 0.268 211 E C -1.788 174.763 176.600 -0.081 0.000 0.990 211 E CA -1.099 55.204 56.400 -0.161 0.000 0.856 211 E CB 2.512 32.175 29.700 -0.062 0.000 1.159 211 E HN 0.546 nan 8.360 nan 0.000 0.401 212 V N 2.692 122.543 119.914 -0.104 0.000 2.638 212 V HA 0.378 4.500 4.120 0.004 0.000 0.306 212 V C -0.505 175.569 176.094 -0.033 0.000 1.052 212 V CA -0.646 61.633 62.300 -0.035 0.000 0.885 212 V CB 1.553 33.352 31.823 -0.040 0.000 0.999 212 V HN 0.641 nan 8.190 nan 0.000 0.424 213 I N 4.718 125.279 120.570 -0.015 0.000 2.404 213 I HA 0.540 4.712 4.170 0.004 0.000 0.293 213 I C -0.775 175.333 176.117 -0.015 0.000 0.992 213 I CA -0.897 60.394 61.300 -0.014 0.000 1.149 213 I CB 2.167 40.163 38.000 -0.006 0.000 1.315 213 I HN 0.264 nan 8.210 nan 0.000 0.446 214 V N 5.495 125.399 119.914 -0.017 0.000 2.350 214 V HA 0.359 4.481 4.120 0.004 0.000 0.285 214 V C -0.768 175.322 176.094 -0.007 0.000 1.014 214 V CA -0.622 61.666 62.300 -0.020 0.000 0.831 214 V CB 1.133 32.933 31.823 -0.037 0.000 1.000 214 V HN 0.715 nan 8.190 nan 0.000 0.433 215 E N 6.622 126.822 120.200 -0.001 0.000 2.191 215 E HA 0.580 4.932 4.350 0.004 0.000 0.263 215 E C -2.954 173.654 176.600 0.013 0.000 0.881 215 E CA -2.134 54.270 56.400 0.006 0.000 0.757 215 E CB 2.022 31.724 29.700 0.003 0.000 1.147 215 E HN 0.382 nan 8.360 nan 0.000 0.414 216 P HA 0.046 nan 4.420 nan 0.000 0.282 216 P C 0.796 178.087 177.300 -0.014 0.000 1.249 216 P CA -0.547 62.564 63.100 0.017 0.000 0.806 216 P CB 1.146 32.862 31.700 0.027 0.000 0.984 217 T N -1.341 113.199 114.554 -0.024 0.000 2.788 217 T HA -0.080 4.272 4.350 0.004 0.000 0.268 217 T C 0.562 175.207 174.700 -0.092 0.000 1.044 217 T CA 1.215 63.288 62.100 -0.044 0.000 1.139 217 T CB -0.372 68.473 68.868 -0.038 0.000 0.867 217 T HN 0.345 nan 8.240 nan 0.000 0.454 218 E N 0.515 120.619 120.200 -0.160 0.000 2.221 218 E HA 0.397 4.749 4.350 0.004 0.000 0.268 218 E C -0.359 176.091 176.600 -0.250 0.000 0.933 218 E CA -0.629 55.579 56.400 -0.321 0.000 0.809 218 E CB 1.985 31.281 29.700 -0.674 0.000 1.190 218 E HN 0.150 nan 8.360 nan 0.000 0.406 219 K N 1.262 121.556 120.400 -0.176 0.000 2.589 219 K HA 0.106 4.428 4.320 0.004 0.000 0.204 219 K C -0.603 176.091 176.600 0.157 0.000 1.029 219 K CA 0.221 56.522 56.287 0.023 0.000 1.177 219 K CB -0.237 32.324 32.500 0.101 0.000 0.902 219 K HN 0.288 nan 8.250 nan 0.000 0.501 220 F N -3.908 116.075 119.950 0.056 0.000 2.877 220 F HA 0.370 4.899 4.527 0.004 0.000 0.319 220 F C -1.886 174.003 175.800 0.148 0.000 1.174 220 F CA -1.849 56.197 58.000 0.076 0.000 0.903 220 F CB 0.760 39.772 39.000 0.020 0.000 1.357 220 F HN -0.205 nan 8.300 nan 0.000 0.472 221 Y N 2.153 122.638 120.300 0.308 0.000 2.329 221 Y HA 0.495 5.047 4.550 0.004 0.000 0.328 221 Y C -1.676 174.418 175.900 0.323 0.000 0.992 221 Y CA -1.737 56.475 58.100 0.187 0.000 1.151 221 Y CB 0.998 39.487 38.460 0.048 0.000 1.150 221 Y HN 0.746 nan 8.280 nan 0.000 0.450 222 Y N 8.228 128.283 120.300 -0.408 0.000 2.486 222 Y HA 0.245 4.797 4.550 0.004 0.000 0.348 222 Y C 1.089 176.496 175.900 -0.821 0.000 1.000 222 Y CA -1.190 56.682 58.100 -0.381 0.000 1.253 222 Y CB 0.463 38.883 38.460 -0.068 0.000 1.140 222 Y HN 0.729 nan 8.280 nan 0.000 0.526 223 I N 2.703 122.750 120.570 -0.871 0.000 2.502 223 I HA -0.308 3.864 4.170 0.004 0.000 0.258 223 I C 0.490 176.024 176.117 -0.972 0.000 1.172 223 I CA 1.485 62.272 61.300 -0.856 0.000 1.430 223 I CB -0.653 36.947 38.000 -0.668 0.000 1.086 223 I HN 0.506 nan 8.210 nan 0.000 0.440 224 Y N 0.460 120.119 120.300 -1.069 0.000 2.462 224 Y HA 0.220 4.772 4.550 0.004 0.000 0.261 224 Y C 1.057 176.632 175.900 -0.543 0.000 1.146 224 Y CA -0.929 56.734 58.100 -0.729 0.000 1.283 224 Y CB -0.647 37.432 38.460 -0.636 0.000 1.090 224 Y HN 0.164 nan 8.280 nan 0.000 0.526 225 N N 2.199 120.570 118.700 -0.547 0.000 2.429 225 N HA -0.094 4.648 4.740 0.004 0.000 0.271 225 N C 0.593 176.105 175.510 0.004 0.000 1.272 225 N CA 0.638 53.618 53.050 -0.116 0.000 0.921 225 N CB 0.417 38.864 38.487 -0.067 0.000 1.128 225 N HN 0.408 nan 8.380 nan 0.000 0.481 226 E N 2.431 122.656 120.200 0.042 0.000 2.474 226 E HA 0.021 4.374 4.350 0.004 0.000 0.194 226 E C 0.842 177.472 176.600 0.050 0.000 1.041 226 E CA 0.175 56.605 56.400 0.051 0.000 0.874 226 E CB 0.355 30.075 29.700 0.033 0.000 0.914 226 E HN 0.600 nan 8.360 nan 0.000 0.498 227 K N 0.334 120.770 120.400 0.060 0.000 2.280 227 K HA -0.025 4.298 4.320 0.004 0.000 0.202 227 K C 1.022 177.641 176.600 0.031 0.000 1.047 227 K CA 0.640 56.951 56.287 0.041 0.000 0.942 227 K CB 0.077 32.603 32.500 0.043 0.000 0.739 227 K HN 0.184 nan 8.250 nan 0.000 0.457 228 G N 1.041 109.897 108.800 0.094 0.000 2.587 228 G HA2 -0.218 3.744 3.960 0.004 0.000 0.212 228 G HA3 -0.218 3.744 3.960 0.004 0.000 0.212 228 G C -1.580 173.327 174.900 0.011 0.000 1.327 228 G CA -0.619 44.484 45.100 0.005 0.000 0.898 228 G HN 0.104 nan 8.290 nan 0.000 0.551 229 L N 1.073 122.149 121.223 -0.246 0.000 2.276 229 L HA 0.700 5.042 4.340 0.004 0.000 0.286 229 L C 0.157 176.964 176.870 -0.105 0.000 1.024 229 L CA -0.446 54.290 54.840 -0.174 0.000 0.826 229 L CB 0.939 42.797 42.059 -0.335 0.000 1.211 229 L HN 0.563 nan 8.230 nan 0.000 0.422 230 E N 4.126 124.314 120.200 -0.021 0.000 2.089 230 E HA 0.387 4.739 4.350 0.004 0.000 0.284 230 E C -0.937 175.691 176.600 0.047 0.000 1.023 230 E CA -0.403 56.002 56.400 0.008 0.000 0.819 230 E CB 1.497 31.197 29.700 -0.001 0.000 1.076 230 E HN 0.394 nan 8.360 nan 0.000 0.396 231 V N 3.208 123.185 119.914 0.104 0.000 2.532 231 V HA 0.336 4.458 4.120 0.004 0.000 0.295 231 V C 0.135 176.261 176.094 0.053 0.000 1.041 231 V CA -0.568 61.790 62.300 0.097 0.000 0.926 231 V CB 2.081 33.995 31.823 0.151 0.000 0.992 231 V HN 0.658 nan 8.190 nan 0.000 0.457 232 T N 5.313 119.882 114.554 0.026 0.000 2.823 232 T HA 0.601 4.953 4.350 0.004 0.000 0.279 232 T C -0.548 174.153 174.700 0.001 0.000 0.998 232 T CA -0.372 61.735 62.100 0.011 0.000 0.994 232 T CB 1.240 70.111 68.868 0.005 0.000 0.960 232 T HN 0.261 nan 8.240 nan 0.000 0.448 233 I N 3.005 123.571 120.570 -0.007 0.000 2.377 233 I HA 0.393 4.565 4.170 0.004 0.000 0.293 233 I C 0.342 176.450 176.117 -0.014 0.000 0.987 233 I CA -0.517 60.774 61.300 -0.015 0.000 1.185 233 I CB 1.299 39.285 38.000 -0.023 0.000 1.341 233 I HN 0.594 nan 8.210 nan 0.000 0.455 234 T N 5.497 120.045 114.554 -0.010 0.000 2.812 234 T HA 0.740 5.092 4.350 0.004 0.000 0.282 234 T C -0.166 174.533 174.700 -0.003 0.000 0.990 234 T CA -0.519 61.575 62.100 -0.010 0.000 0.960 234 T CB 1.883 70.748 68.868 -0.005 0.000 0.948 234 T HN 0.714 nan 8.240 nan 0.000 0.438 235 A N 3.580 126.391 122.820 -0.016 0.000 2.350 235 A HA 0.936 5.258 4.320 0.004 0.000 0.324 235 A C -0.307 177.240 177.584 -0.062 0.000 1.118 235 A CA -0.821 51.218 52.037 0.003 0.000 0.783 235 A CB 1.243 20.223 19.000 -0.034 0.000 1.236 235 A HN 0.774 nan 8.150 nan 0.000 0.457 236 R N 1.218 121.689 120.500 -0.048 0.000 2.536 236 R HA 0.453 4.795 4.340 0.004 0.000 0.269 236 R C -1.711 174.522 176.300 -0.113 0.000 1.113 236 R CA -0.543 55.507 56.100 -0.083 0.000 0.948 236 R CB 0.960 31.253 30.300 -0.013 0.000 1.237 236 R HN 0.629 nan 8.270 nan 0.000 0.441 237 F N 3.789 123.656 119.950 -0.137 0.000 2.553 237 F HA 0.037 4.566 4.527 0.004 0.000 0.356 237 F C 1.835 177.424 175.800 -0.352 0.000 1.142 237 F CA 0.217 58.012 58.000 -0.343 0.000 1.322 237 F CB 0.541 39.007 39.000 -0.891 0.000 1.126 237 F HN 0.499 nan 8.300 nan 0.000 0.599 238 L N 1.893 123.065 121.223 -0.085 0.000 2.129 238 L HA -0.293 4.049 4.340 0.004 0.000 0.212 238 L C 1.967 178.838 176.870 0.002 0.000 1.087 238 L CA 1.493 56.317 54.840 -0.028 0.000 0.757 238 L CB -0.679 41.400 42.059 0.034 0.000 0.896 238 L HN 0.763 nan 8.230 nan 0.000 0.434 239 Y N -1.897 118.494 120.300 0.152 0.000 2.561 239 Y HA 0.336 4.888 4.550 0.004 0.000 0.291 239 Y C 1.723 177.679 175.900 0.093 0.000 1.141 239 Y CA 0.334 58.488 58.100 0.090 0.000 1.303 239 Y CB -0.438 38.047 38.460 0.043 0.000 1.015 239 Y HN 0.100 nan 8.280 nan 0.000 0.547 240 G N -0.611 108.254 108.800 0.108 0.000 2.699 240 G HA2 -0.178 3.784 3.960 0.004 0.000 0.198 240 G HA3 -0.178 3.784 3.960 0.004 0.000 0.198 240 G C 0.093 175.077 174.900 0.139 0.000 1.033 240 G CA -0.592 44.584 45.100 0.127 0.000 0.728 240 G HN 0.070 nan 8.290 nan 0.000 0.484 241 K N 1.875 122.415 120.400 0.234 0.000 2.380 241 K HA 0.369 4.691 4.320 0.004 0.000 0.267 241 K C 0.564 177.302 176.600 0.230 0.000 0.990 241 K CA 0.058 56.492 56.287 0.245 0.000 0.946 241 K CB 0.671 33.367 32.500 0.327 0.000 0.937 241 K HN 0.475 nan 8.250 nan 0.000 0.491 242 K N 0.501 120.994 120.400 0.155 0.000 2.258 242 K HA 0.189 4.511 4.320 0.004 0.000 0.264 242 K C -0.008 176.627 176.600 0.058 0.000 1.007 242 K CA -0.458 55.871 56.287 0.069 0.000 0.941 242 K CB 0.660 33.185 32.500 0.043 0.000 0.966 242 K HN 0.154 nan 8.250 nan 0.000 0.480 243 V N 2.557 122.383 119.914 -0.146 0.000 2.532 243 V HA 0.146 4.269 4.120 0.004 0.000 0.295 243 V C -0.159 175.825 176.094 -0.185 0.000 1.041 243 V CA -0.583 61.510 62.300 -0.346 0.000 0.926 243 V CB 1.624 32.984 31.823 -0.772 0.000 0.992 243 V HN 0.658 nan 8.190 nan 0.000 0.457 244 E N 2.339 122.464 120.200 -0.124 0.000 2.179 244 E HA 0.762 5.115 4.350 0.004 0.000 0.275 244 E C 0.162 176.623 176.600 -0.231 0.000 0.945 244 E CA -0.038 56.351 56.400 -0.019 0.000 0.792 244 E CB 2.079 31.892 29.700 0.190 0.000 1.125 244 E HN 0.943 nan 8.360 nan 0.000 0.397 245 G N 1.022 109.565 108.800 -0.427 0.000 2.335 245 G HA2 0.254 4.216 3.960 0.004 0.000 0.291 245 G HA3 0.254 4.216 3.960 0.004 0.000 0.291 245 G C -1.216 173.352 174.900 -0.552 0.000 1.261 245 G CA -0.572 44.023 45.100 -0.842 0.000 0.871 245 G HN 0.335 nan 8.290 nan 0.000 0.491 246 T N 0.234 114.538 114.554 -0.415 0.000 2.863 246 T HA 0.768 5.121 4.350 0.004 0.000 0.285 246 T C -0.234 174.279 174.700 -0.313 0.000 1.009 246 T CA 0.334 62.240 62.100 -0.324 0.000 0.989 246 T CB 1.625 70.297 68.868 -0.326 0.000 1.004 246 T HN 1.504 nan 8.240 nan 0.000 0.455 247 A N 2.419 125.028 122.820 -0.351 0.000 2.343 247 A HA 0.826 5.148 4.320 0.004 0.000 0.316 247 A C -1.233 176.121 177.584 -0.384 0.000 1.104 247 A CA -0.692 51.199 52.037 -0.244 0.000 0.768 247 A CB 0.552 19.480 19.000 -0.121 0.000 1.213 247 A HN 0.748 nan 8.150 nan 0.000 0.456 248 F N 2.481 122.418 119.950 -0.022 0.000 2.347 248 F HA 0.470 4.999 4.527 0.004 0.000 0.366 248 F C 0.464 176.240 175.800 -0.040 0.000 1.107 248 F CA -0.674 57.314 58.000 -0.019 0.000 1.058 248 F CB 1.948 40.940 39.000 -0.013 0.000 1.236 248 F HN 0.466 nan 8.300 nan 0.000 0.456 249 V N 3.865 123.831 119.914 0.087 0.000 2.547 249 V HA 0.735 4.857 4.120 0.004 0.000 0.299 249 V C -0.812 175.258 176.094 -0.041 0.000 1.040 249 V CA -0.664 61.615 62.300 -0.034 0.000 0.913 249 V CB 1.849 33.604 31.823 -0.113 0.000 0.992 249 V HN 0.774 nan 8.190 nan 0.000 0.449 250 I N 4.027 124.503 120.570 -0.158 0.000 2.865 250 I HA 0.683 4.855 4.170 0.004 0.000 0.302 250 I C -1.417 174.515 176.117 -0.308 0.000 1.140 250 I CA -0.862 60.385 61.300 -0.089 0.000 1.021 250 I CB 2.331 40.334 38.000 0.005 0.000 1.233 250 I HN 0.740 nan 8.210 nan 0.000 0.427 251 F N 3.350 123.231 119.950 -0.114 0.000 2.556 251 F HA 0.854 5.383 4.527 0.004 0.000 0.327 251 F C 0.553 176.111 175.800 -0.402 0.000 1.059 251 F CA -0.536 57.314 58.000 -0.250 0.000 0.953 251 F CB 2.228 41.099 39.000 -0.215 0.000 1.227 251 F HN 0.401 nan 8.300 nan 0.000 0.478 252 G N 1.328 109.763 108.800 -0.609 0.000 2.732 252 G HA2 0.590 4.552 3.960 0.004 0.000 0.296 252 G HA3 0.590 4.552 3.960 0.004 0.000 0.296 252 G C -1.817 172.673 174.900 -0.684 0.000 1.448 252 G CA -0.726 43.926 45.100 -0.746 0.000 0.911 252 G HN 0.475 nan 8.290 nan 0.000 0.528 253 I N 0.421 120.869 120.570 -0.203 0.000 2.472 253 I HA 0.424 4.596 4.170 0.004 0.000 0.290 253 I C 0.445 176.654 176.117 0.153 0.000 1.016 253 I CA -0.328 60.956 61.300 -0.026 0.000 1.348 253 I CB 1.857 39.855 38.000 -0.003 0.000 1.417 253 I HN 0.488 nan 8.210 nan 0.000 0.521 254 Q N 4.433 124.345 119.800 0.187 0.000 2.339 254 Q HA 0.277 4.619 4.340 0.004 0.000 0.268 254 Q C -1.479 174.584 176.000 0.105 0.000 1.027 254 Q CA -0.685 55.230 55.803 0.187 0.000 0.759 254 Q CB 1.242 30.112 28.738 0.219 0.000 1.244 254 Q HN 0.543 nan 8.270 nan 0.000 0.464 255 D N 3.726 124.173 120.400 0.078 0.000 2.428 255 D HA 0.389 5.031 4.640 0.004 0.000 0.221 255 D C 0.926 177.253 176.300 0.045 0.000 1.123 255 D CA 1.290 55.322 54.000 0.053 0.000 0.869 255 D CB 0.643 41.468 40.800 0.041 0.000 1.032 255 D HN 0.830 nan 8.370 nan 0.000 0.506 256 G N 4.797 113.622 108.800 0.041 0.000 2.665 256 G HA2 -0.426 3.537 3.960 0.004 0.000 0.326 256 G HA3 -0.426 3.537 3.960 0.004 0.000 0.326 256 G C 1.050 175.965 174.900 0.025 0.000 1.231 256 G CA 0.819 45.937 45.100 0.031 0.000 0.992 256 G HN 0.555 nan 8.290 nan 0.000 0.549 257 E N 1.026 121.236 120.200 0.017 0.000 2.158 257 E HA 0.098 4.450 4.350 0.004 0.000 0.191 257 E C 1.692 178.298 176.600 0.010 0.000 0.982 257 E CA 0.714 57.119 56.400 0.007 0.000 0.823 257 E CB 0.010 29.711 29.700 0.003 0.000 0.766 257 E HN 0.665 nan 8.360 nan 0.000 0.468 258 Q N 1.641 121.454 119.800 0.022 0.000 2.395 258 Q HA 0.014 4.356 4.340 0.004 0.000 0.271 258 Q C -0.525 175.507 176.000 0.054 0.000 1.026 258 Q CA 0.428 56.249 55.803 0.031 0.000 0.900 258 Q CB 0.622 29.380 28.738 0.033 0.000 1.266 258 Q HN -0.024 nan 8.270 nan 0.000 0.430 259 R N 4.208 124.748 120.500 0.066 0.000 2.625 259 R HA 0.364 4.706 4.340 0.004 0.000 0.286 259 R C -0.811 175.581 176.300 0.154 0.000 1.406 259 R CA -0.517 55.663 56.100 0.134 0.000 1.052 259 R CB 0.996 31.331 30.300 0.057 0.000 1.203 259 R HN 0.660 nan 8.270 nan 0.000 0.502 260 I N 1.532 122.189 120.570 0.144 0.000 2.588 260 I HA 0.044 4.216 4.170 0.004 0.000 0.283 260 I C 0.837 177.028 176.117 0.124 0.000 1.119 260 I CA 0.618 61.978 61.300 0.100 0.000 1.419 260 I CB 1.554 39.585 38.000 0.052 0.000 1.394 260 I HN 0.441 nan 8.210 nan 0.000 0.562 261 S N 6.358 122.116 115.700 0.096 0.000 2.651 261 S HA 0.645 5.117 4.470 0.004 0.000 0.291 261 S C -0.441 174.170 174.600 0.019 0.000 1.141 261 S CA -0.709 57.534 58.200 0.072 0.000 1.027 261 S CB 1.005 64.264 63.200 0.099 0.000 1.043 261 S HN 0.440 nan 8.310 nan 0.000 0.530 262 L N 4.776 125.999 121.223 0.000 0.000 2.408 262 L HA 0.356 4.699 4.340 0.004 0.000 0.257 262 L C -1.952 174.932 176.870 0.023 0.000 1.053 262 L CA -1.752 53.089 54.840 0.001 0.000 0.922 262 L CB 1.544 43.591 42.059 -0.019 0.000 1.261 262 L HN 0.503 nan 8.230 nan 0.000 0.458 263 P HA -0.163 nan 4.420 nan 0.000 0.218 263 P C 1.268 178.586 177.300 0.030 0.000 1.149 263 P CA 0.967 64.084 63.100 0.028 0.000 0.817 263 P CB 0.419 32.131 31.700 0.020 0.000 0.785 264 E N -0.140 120.070 120.200 0.017 0.000 2.267 264 E HA -0.150 4.202 4.350 0.004 0.000 0.197 264 E C 1.643 178.253 176.600 0.017 0.000 0.998 264 E CA 1.347 57.753 56.400 0.010 0.000 0.830 264 E CB -0.160 29.536 29.700 -0.006 0.000 0.751 264 E HN 0.269 nan 8.360 nan 0.000 0.491 265 S N -0.067 115.653 115.700 0.034 0.000 2.558 265 S HA -0.010 4.462 4.470 0.004 0.000 0.217 265 S C 0.676 175.362 174.600 0.143 0.000 0.975 265 S CA -0.473 57.768 58.200 0.068 0.000 0.912 265 S CB -0.015 63.247 63.200 0.103 0.000 0.776 265 S HN 0.150 nan 8.310 nan 0.000 0.526 266 L N 3.179 124.468 121.223 0.110 0.000 2.499 266 L HA 0.394 4.736 4.340 0.004 0.000 0.273 266 L C -0.408 176.532 176.870 0.116 0.000 1.195 266 L CA 0.546 55.457 54.840 0.118 0.000 0.882 266 L CB 0.093 42.209 42.059 0.094 0.000 1.133 266 L HN 0.050 nan 8.230 nan 0.000 0.483 267 K N 5.014 125.490 120.400 0.127 0.000 2.400 267 K HA 0.492 4.814 4.320 0.004 0.000 0.246 267 K C -0.881 175.759 176.600 0.066 0.000 0.995 267 K CA -0.724 55.616 56.287 0.089 0.000 0.840 267 K CB 1.815 34.363 32.500 0.080 0.000 1.293 267 K HN 0.593 nan 8.250 nan 0.000 0.445 268 R N 2.173 122.667 120.500 -0.011 0.000 2.547 268 R HA 0.296 4.638 4.340 0.004 0.000 0.280 268 R C -0.198 175.999 176.300 -0.173 0.000 1.630 268 R CA -0.252 55.744 56.100 -0.173 0.000 1.470 268 R CB -0.043 30.165 30.300 -0.154 0.000 1.178 268 R HN 0.722 nan 8.270 nan 0.000 0.591 269 I N -0.293 120.182 120.570 -0.159 0.000 2.612 269 I HA 0.620 4.793 4.170 0.004 0.000 0.295 269 I C -2.392 173.640 176.117 -0.143 0.000 1.011 269 I CA -2.797 58.437 61.300 -0.110 0.000 1.326 269 I CB 1.097 39.059 38.000 -0.063 0.000 1.427 269 I HN 0.211 nan 8.210 nan 0.000 0.537 270 P HA 0.240 nan 4.420 nan 0.000 0.275 270 P C -0.837 176.422 177.300 -0.067 0.000 1.228 270 P CA -0.150 62.910 63.100 -0.068 0.000 0.786 270 P CB 0.565 32.255 31.700 -0.017 0.000 0.927 271 I N 2.837 123.359 120.570 -0.080 0.000 2.330 271 I HA 0.262 4.434 4.170 0.004 0.000 0.286 271 I C 0.501 176.604 176.117 -0.023 0.000 1.025 271 I CA -0.334 60.923 61.300 -0.071 0.000 1.197 271 I CB 0.127 38.056 38.000 -0.119 0.000 1.358 271 I HN 0.325 nan 8.210 nan 0.000 0.467 272 E N 4.550 124.745 120.200 -0.009 0.000 2.176 272 E HA 0.225 4.577 4.350 0.004 0.000 0.267 272 E C -0.538 176.063 176.600 0.002 0.000 0.893 272 E CA -0.565 55.843 56.400 0.012 0.000 0.761 272 E CB 1.613 31.320 29.700 0.013 0.000 1.133 272 E HN 0.452 nan 8.360 nan 0.000 0.409 273 D N 2.206 122.611 120.400 0.010 0.000 2.772 273 D HA -0.193 4.449 4.640 0.004 0.000 0.233 273 D C 0.703 177.001 176.300 -0.004 0.000 1.143 273 D CA 1.747 55.752 54.000 0.009 0.000 0.700 273 D CB -1.076 39.730 40.800 0.011 0.000 1.076 273 D HN 0.968 nan 8.370 nan 0.000 0.430 274 G N -1.470 107.315 108.800 -0.026 0.000 2.160 274 G HA2 -0.191 3.771 3.960 0.004 0.000 0.251 274 G HA3 -0.191 3.771 3.960 0.004 0.000 0.251 274 G C 0.178 175.057 174.900 -0.035 0.000 1.008 274 G CA 0.859 45.931 45.100 -0.047 0.000 0.724 274 G HN 1.079 nan 8.290 nan 0.000 0.514 275 S N -1.401 114.282 115.700 -0.028 0.000 2.564 275 S HA 0.920 5.392 4.470 0.004 0.000 0.274 275 S C -0.073 174.513 174.600 -0.023 0.000 1.124 275 S CA 0.676 58.864 58.200 -0.020 0.000 0.869 275 S CB 1.940 65.134 63.200 -0.010 0.000 1.105 275 S HN 1.910 nan 8.310 nan 0.000 0.472 276 G N 1.884 110.673 108.800 -0.019 0.000 2.667 276 G HA2 0.572 4.534 3.960 0.004 0.000 0.294 276 G HA3 0.572 4.534 3.960 0.004 0.000 0.294 276 G C -2.363 172.532 174.900 -0.009 0.000 1.467 276 G CA -0.660 44.429 45.100 -0.020 0.000 0.852 276 G HN 0.554 nan 8.290 nan 0.000 0.521 277 E N -0.868 119.330 120.200 -0.003 0.000 2.266 277 E HA 0.720 5.073 4.350 0.004 0.000 0.268 277 E C -0.887 175.727 176.600 0.024 0.000 0.879 277 E CA -0.834 55.573 56.400 0.012 0.000 0.762 277 E CB 3.084 32.789 29.700 0.009 0.000 1.199 277 E HN 0.656 nan 8.360 nan 0.000 0.422 278 V N 2.283 122.230 119.914 0.055 0.000 3.012 278 V HA 0.682 4.804 4.120 0.004 0.000 0.307 278 V C -1.621 174.542 176.094 0.116 0.000 1.166 278 V CA -0.652 61.703 62.300 0.092 0.000 0.974 278 V CB 2.177 34.083 31.823 0.138 0.000 1.040 278 V HN 0.475 nan 8.190 nan 0.000 0.428 279 V N 5.751 125.695 119.914 0.051 0.000 2.735 279 V HA 0.534 4.656 4.120 0.004 0.000 0.310 279 V C -0.755 175.163 176.094 -0.294 0.000 1.061 279 V CA -0.725 61.526 62.300 -0.082 0.000 0.913 279 V CB 1.785 33.562 31.823 -0.076 0.000 1.005 279 V HN 0.805 nan 8.190 nan 0.000 0.428 280 L N 5.062 125.892 121.223 -0.655 0.000 2.259 280 L HA 0.552 4.894 4.340 0.004 0.000 0.288 280 L C 0.614 177.198 176.870 -0.477 0.000 1.051 280 L CA 0.223 54.545 54.840 -0.863 0.000 0.824 280 L CB 1.094 42.230 42.059 -1.538 0.000 1.206 280 L HN 0.832 nan 8.230 nan 0.000 0.429 281 S N 4.444 119.962 115.700 -0.303 0.000 2.572 281 S HA 0.190 4.662 4.470 0.004 0.000 0.279 281 S C 1.240 175.727 174.600 -0.188 0.000 1.341 281 S CA -0.199 57.888 58.200 -0.188 0.000 1.043 281 S CB 0.719 63.848 63.200 -0.118 0.000 0.887 281 S HN 0.841 nan 8.310 nan 0.000 0.516 282 R N 1.730 122.160 120.500 -0.116 0.000 2.096 282 R HA -0.105 4.238 4.340 0.004 0.000 0.235 282 R C 2.259 178.516 176.300 -0.072 0.000 1.127 282 R CA 1.599 57.653 56.100 -0.077 0.000 0.968 282 R CB -0.323 29.983 30.300 0.010 0.000 0.861 282 R HN 0.871 nan 8.270 nan 0.000 0.440 283 K N 0.174 120.538 120.400 -0.060 0.000 2.002 283 K HA -0.104 4.218 4.320 0.004 0.000 0.209 283 K C 1.878 178.442 176.600 -0.060 0.000 1.048 283 K CA 1.583 57.842 56.287 -0.047 0.000 0.930 283 K CB -0.032 32.446 32.500 -0.036 0.000 0.714 283 K HN 0.052 nan 8.250 nan 0.000 0.438 284 V N 1.922 121.788 119.914 -0.081 0.000 2.469 284 V HA -0.251 3.871 4.120 0.004 0.000 0.251 284 V C 2.303 178.338 176.094 -0.098 0.000 1.064 284 V CA 1.450 63.699 62.300 -0.084 0.000 1.066 284 V CB -0.427 31.336 31.823 -0.101 0.000 0.667 284 V HN 0.361 nan 8.190 nan 0.000 0.461 285 L N -0.399 120.744 121.223 -0.133 0.000 2.005 285 L HA -0.071 4.271 4.340 0.004 0.000 0.207 285 L C 2.155 178.977 176.870 -0.081 0.000 1.072 285 L CA 1.903 56.662 54.840 -0.136 0.000 0.744 285 L CB -0.528 41.411 42.059 -0.200 0.000 0.895 285 L HN 0.184 nan 8.230 nan 0.000 0.433 286 L N -0.633 120.553 121.223 -0.063 0.000 2.109 286 L HA -0.133 4.209 4.340 0.004 0.000 0.207 286 L C 1.773 178.626 176.870 -0.029 0.000 1.086 286 L CA 0.910 55.728 54.840 -0.037 0.000 0.760 286 L CB -0.666 41.379 42.059 -0.025 0.000 0.910 286 L HN 0.251 nan 8.230 nan 0.000 0.437 287 D N -0.049 120.332 120.400 -0.032 0.000 2.363 287 D HA -0.052 4.590 4.640 0.004 0.000 0.220 287 D C 1.961 178.247 176.300 -0.023 0.000 0.994 287 D CA 0.878 54.863 54.000 -0.023 0.000 0.890 287 D CB 0.113 40.900 40.800 -0.023 0.000 0.906 287 D HN 0.306 nan 8.370 nan 0.000 0.530 288 G N -0.201 108.580 108.800 -0.031 0.000 2.683 288 G HA2 0.118 4.080 3.960 0.004 0.000 0.213 288 G HA3 0.118 4.080 3.960 0.004 0.000 0.213 288 G C 0.639 175.528 174.900 -0.019 0.000 1.142 288 G CA 0.054 45.138 45.100 -0.027 0.000 0.793 288 G HN 0.115 nan 8.290 nan 0.000 0.534 289 V N -0.155 119.747 119.914 -0.019 0.000 2.769 289 V HA 0.314 4.436 4.120 0.004 0.000 0.312 289 V C 0.436 176.526 176.094 -0.007 0.000 1.058 289 V CA -0.652 61.642 62.300 -0.011 0.000 0.952 289 V CB 1.949 33.765 31.823 -0.013 0.000 1.019 289 V HN 0.101 nan 8.190 nan 0.000 0.445 290 Q N 0.955 120.754 119.800 -0.002 0.000 2.425 290 Q HA 0.134 4.476 4.340 0.004 0.000 0.204 290 Q C 0.123 176.123 176.000 0.001 0.000 0.933 290 Q CA 0.289 56.092 55.803 0.000 0.000 0.939 290 Q CB -0.034 28.706 28.738 0.002 0.000 1.044 290 Q HN 0.785 nan 8.270 nan 0.000 0.513 291 N N 1.579 120.280 118.700 0.001 0.000 2.439 291 N HA 0.126 4.868 4.740 0.004 0.000 0.249 291 N C -2.087 173.423 175.510 0.001 0.000 1.003 291 N CA -1.335 51.716 53.050 0.002 0.000 0.942 291 N CB 0.895 39.384 38.487 0.003 0.000 1.115 291 N HN -0.035 nan 8.380 nan 0.000 0.505 292 P HA -0.099 nan 4.420 nan 0.000 0.225 292 P C 0.242 177.547 177.300 0.008 0.000 1.148 292 P CA 0.591 63.694 63.100 0.005 0.000 0.779 292 P CB 0.486 32.191 31.700 0.007 0.000 0.780 293 R N 0.492 120.996 120.500 0.008 0.000 2.459 293 R HA 0.278 4.620 4.340 0.004 0.000 0.301 293 R C 1.554 177.854 176.300 -0.000 0.000 1.286 293 R CA -0.008 56.099 56.100 0.012 0.000 1.046 293 R CB -0.248 30.060 30.300 0.012 0.000 1.071 293 R HN 0.018 nan 8.270 nan 0.000 0.512 294 A N 3.642 126.462 122.820 -0.000 0.000 1.944 294 A HA -0.317 4.005 4.320 0.004 0.000 0.222 294 A C 1.651 179.189 177.584 -0.076 0.000 1.237 294 A CA 2.095 54.105 52.037 -0.044 0.000 0.668 294 A CB -0.230 18.738 19.000 -0.054 0.000 0.830 294 A HN 0.746 nan 8.150 nan 0.000 0.471 295 E N -0.725 119.447 120.200 -0.046 0.000 2.338 295 E HA -0.093 4.260 4.350 0.004 0.000 0.197 295 E C 1.479 178.063 176.600 -0.027 0.000 1.007 295 E CA 0.971 57.342 56.400 -0.047 0.000 0.849 295 E CB -0.278 29.433 29.700 0.018 0.000 0.774 295 E HN 0.744 nan 8.360 nan 0.000 0.506 296 D N -0.337 120.054 120.400 -0.014 0.000 2.348 296 D HA -0.052 4.590 4.640 0.004 0.000 0.216 296 D C 1.212 177.509 176.300 -0.006 0.000 0.970 296 D CA 0.496 54.493 54.000 -0.005 0.000 0.889 296 D CB 0.122 40.923 40.800 0.001 0.000 0.912 296 D HN 0.166 nan 8.370 nan 0.000 0.524 297 L N -0.274 120.940 121.223 -0.016 0.000 2.395 297 L HA 0.070 4.413 4.340 0.004 0.000 0.218 297 L C 0.406 177.278 176.870 0.003 0.000 1.130 297 L CA -0.094 54.743 54.840 -0.004 0.000 0.826 297 L CB 0.059 42.116 42.059 -0.004 0.000 0.941 297 L HN -0.108 nan 8.230 nan 0.000 0.451 298 V N 0.938 120.843 119.914 -0.015 0.000 2.599 298 V HA 0.225 4.348 4.120 0.004 0.000 0.300 298 V C 1.334 177.433 176.094 0.009 0.000 1.034 298 V CA 1.100 63.395 62.300 -0.008 0.000 1.115 298 V CB 0.294 32.104 31.823 -0.022 0.000 0.934 298 V HN 0.617 nan 8.190 nan 0.000 0.485 299 G N 4.322 113.134 108.800 0.019 0.000 2.308 299 G HA2 -0.224 3.738 3.960 0.004 0.000 0.221 299 G HA3 -0.224 3.738 3.960 0.004 0.000 0.221 299 G C 0.335 175.258 174.900 0.038 0.000 1.032 299 G CA 0.122 45.238 45.100 0.025 0.000 0.623 299 G HN 0.620 nan 8.290 nan 0.000 0.506 300 K N 1.398 121.822 120.400 0.040 0.000 2.180 300 K HA 0.575 4.898 4.320 0.004 0.000 0.251 300 K C 0.656 177.298 176.600 0.070 0.000 1.014 300 K CA 0.432 56.751 56.287 0.052 0.000 0.913 300 K CB 0.970 33.496 32.500 0.044 0.000 1.008 300 K HN 0.539 nan 8.250 nan 0.000 0.490 301 S N 0.585 116.336 115.700 0.085 0.000 2.638 301 S HA 0.595 5.068 4.470 0.004 0.000 0.302 301 S C -0.622 174.042 174.600 0.106 0.000 1.096 301 S CA -1.102 57.162 58.200 0.106 0.000 0.953 301 S CB 0.863 64.132 63.200 0.115 0.000 1.107 301 S HN 0.359 nan 8.310 nan 0.000 0.503 302 L N 1.908 123.193 121.223 0.103 0.000 2.334 302 L HA 0.608 4.950 4.340 0.004 0.000 0.276 302 L C -1.164 175.780 176.870 0.123 0.000 1.014 302 L CA -1.071 53.800 54.840 0.051 0.000 0.815 302 L CB 1.419 43.485 42.059 0.012 0.000 1.268 302 L HN 0.917 nan 8.230 nan 0.000 0.428 303 Y N 0.831 121.170 120.300 0.064 0.000 2.462 303 Y HA 0.787 5.339 4.550 0.004 0.000 0.346 303 Y C -0.936 174.945 175.900 -0.031 0.000 0.976 303 Y CA -1.297 56.816 58.100 0.021 0.000 1.044 303 Y CB 1.171 39.631 38.460 0.001 0.000 1.230 303 Y HN 0.152 nan 8.280 nan 0.000 0.455 304 V N 2.707 122.632 119.914 0.018 0.000 2.630 304 V HA 0.631 4.753 4.120 0.004 0.000 0.305 304 V C -0.396 175.636 176.094 -0.103 0.000 1.046 304 V CA -0.665 61.461 62.300 -0.290 0.000 0.934 304 V CB 1.606 33.187 31.823 -0.403 0.000 1.003 304 V HN 0.882 nan 8.190 nan 0.000 0.451 305 S N 2.584 118.178 115.700 -0.176 0.000 2.605 305 S HA 0.821 5.293 4.470 0.004 0.000 0.308 305 S C -0.571 173.969 174.600 -0.099 0.000 1.113 305 S CA -0.141 58.021 58.200 -0.064 0.000 1.049 305 S CB 1.205 64.419 63.200 0.023 0.000 1.001 305 S HN 1.225 nan 8.310 nan 0.000 0.480 306 A N 3.665 126.448 122.820 -0.061 0.000 2.355 306 A HA 0.790 5.112 4.320 0.004 0.000 0.317 306 A C -0.432 177.159 177.584 0.012 0.000 1.094 306 A CA -0.651 51.367 52.037 -0.032 0.000 0.764 306 A CB 1.494 20.466 19.000 -0.046 0.000 1.230 306 A HN 0.683 nan 8.150 nan 0.000 0.448 307 T N 2.134 116.733 114.554 0.075 0.000 2.930 307 T HA 0.456 4.808 4.350 0.004 0.000 0.313 307 T C -0.778 174.025 174.700 0.172 0.000 1.019 307 T CA -0.250 61.919 62.100 0.116 0.000 1.004 307 T CB 0.908 69.865 68.868 0.148 0.000 0.987 307 T HN 0.436 nan 8.240 nan 0.000 0.456 308 V N 5.303 125.297 119.914 0.133 0.000 2.394 308 V HA 0.516 4.639 4.120 0.004 0.000 0.282 308 V C -0.117 176.099 176.094 0.203 0.000 1.031 308 V CA -0.721 61.664 62.300 0.142 0.000 0.881 308 V CB 1.227 33.158 31.823 0.180 0.000 0.982 308 V HN 0.784 nan 8.190 nan 0.000 0.451 309 I N 5.669 126.307 120.570 0.113 0.000 2.378 309 I HA 0.380 4.553 4.170 0.004 0.000 0.291 309 I C 0.090 176.162 176.117 -0.076 0.000 0.992 309 I CA -0.437 60.921 61.300 0.097 0.000 1.154 309 I CB 1.577 39.664 38.000 0.146 0.000 1.315 309 I HN 0.394 nan 8.210 nan 0.000 0.448 310 L N 5.034 126.198 121.223 -0.098 0.000 2.479 310 L HA 0.031 4.373 4.340 0.004 0.000 0.270 310 L C 1.271 178.058 176.870 -0.138 0.000 1.236 310 L CA 0.153 54.864 54.840 -0.216 0.000 0.823 310 L CB 0.152 42.121 42.059 -0.149 0.000 1.098 310 L HN 0.668 nan 8.230 nan 0.000 0.500 311 H N -0.559 118.493 119.070 -0.029 0.000 2.457 311 H HA -0.128 4.430 4.556 0.004 0.000 0.294 311 H C 2.246 177.584 175.328 0.018 0.000 1.064 311 H CA 1.373 57.419 56.048 -0.004 0.000 1.330 311 H CB 0.259 30.014 29.762 -0.010 0.000 1.395 311 H HN 0.772 nan 8.280 nan 0.000 0.541 312 S N -0.809 114.972 115.700 0.136 0.000 2.383 312 S HA -0.041 4.432 4.470 0.004 0.000 0.227 312 S C 2.081 176.732 174.600 0.084 0.000 1.026 312 S CA 0.833 59.092 58.200 0.099 0.000 0.981 312 S CB -0.235 63.020 63.200 0.092 0.000 0.818 312 S HN 0.661 nan 8.310 nan 0.000 0.472 313 G N 0.177 109.024 108.800 0.079 0.000 2.157 313 G HA2 -0.267 3.695 3.960 0.004 0.000 0.248 313 G HA3 -0.267 3.695 3.960 0.004 0.000 0.248 313 G C 0.860 175.810 174.900 0.082 0.000 0.979 313 G CA 0.481 45.627 45.100 0.077 0.000 0.650 313 G HN 0.648 nan 8.290 nan 0.000 0.529 314 S N -0.438 115.316 115.700 0.091 0.000 2.489 314 S HA 0.311 4.783 4.470 0.004 0.000 0.228 314 S C 0.527 175.201 174.600 0.124 0.000 0.995 314 S CA 1.167 59.427 58.200 0.099 0.000 0.934 314 S CB 0.302 63.564 63.200 0.103 0.000 0.771 314 S HN 0.745 nan 8.310 nan 0.000 0.522 315 D N -0.409 120.084 120.400 0.155 0.000 2.623 315 D HA 0.502 5.144 4.640 0.004 0.000 0.241 315 D C -1.147 175.309 176.300 0.259 0.000 1.241 315 D CA -0.564 53.561 54.000 0.209 0.000 0.788 315 D CB 1.415 42.396 40.800 0.301 0.000 1.413 315 D HN 0.131 nan 8.370 nan 0.000 0.429 316 M N 1.080 120.806 119.600 0.210 0.000 2.520 316 M HA 0.708 5.191 4.480 0.004 0.000 0.280 316 M C -1.726 174.565 176.300 -0.014 0.000 1.232 316 M CA -0.884 54.537 55.300 0.202 0.000 0.892 316 M CB 2.170 34.853 32.600 0.137 0.000 1.728 316 M HN 0.235 nan 8.290 nan 0.000 0.475 317 V N 0.879 120.713 119.914 -0.133 0.000 3.040 317 V HA 0.854 4.976 4.120 0.004 0.000 0.312 317 V C -1.680 174.337 176.094 -0.128 0.000 1.115 317 V CA -0.377 61.763 62.300 -0.268 0.000 0.998 317 V CB 2.155 33.608 31.823 -0.617 0.000 1.042 317 V HN 1.156 nan 8.190 nan 0.000 0.433 318 Q N 2.804 122.534 119.800 -0.116 0.000 2.340 318 Q HA 0.885 5.227 4.340 0.004 0.000 0.268 318 Q C -0.873 175.080 176.000 -0.078 0.000 1.031 318 Q CA 0.272 56.035 55.803 -0.067 0.000 0.804 318 Q CB 1.703 30.412 28.738 -0.047 0.000 1.286 318 Q HN 1.700 nan 8.270 nan 0.000 0.448 319 A N 3.351 126.135 122.820 -0.060 0.000 2.469 319 A HA 0.891 5.213 4.320 0.004 0.000 0.299 319 A C -1.286 176.274 177.584 -0.041 0.000 1.098 319 A CA -0.377 51.627 52.037 -0.054 0.000 0.737 319 A CB 1.536 20.503 19.000 -0.055 0.000 1.312 319 A HN 0.905 nan 8.150 nan 0.000 0.414 320 E N -0.162 120.017 120.200 -0.034 0.000 2.413 320 E HA 0.716 5.068 4.350 0.004 0.000 0.277 320 E C -1.166 175.429 176.600 -0.009 0.000 0.958 320 E CA -0.976 55.411 56.400 -0.022 0.000 0.779 320 E CB 1.657 31.345 29.700 -0.019 0.000 1.278 320 E HN 0.503 nan 8.360 nan 0.000 0.456 321 R N 1.459 121.966 120.500 0.012 0.000 2.473 321 R HA 0.431 4.773 4.340 0.004 0.000 0.303 321 R C -1.578 174.770 176.300 0.080 0.000 1.002 321 R CA -0.161 55.957 56.100 0.030 0.000 0.884 321 R CB 1.487 31.799 30.300 0.019 0.000 1.173 321 R HN 0.740 nan 8.270 nan 0.000 0.464 322 S N 1.845 117.592 115.700 0.078 0.000 2.726 322 S HA 0.738 5.210 4.470 0.004 0.000 0.308 322 S C 0.404 175.065 174.600 0.102 0.000 1.115 322 S CA -0.452 57.822 58.200 0.123 0.000 0.965 322 S CB 1.565 64.796 63.200 0.053 0.000 1.145 322 S HN 1.274 nan 8.310 nan 0.000 0.532 323 G N 0.322 109.194 108.800 0.120 0.000 2.314 323 G HA2 -0.197 3.765 3.960 0.004 0.000 0.292 323 G HA3 -0.197 3.765 3.960 0.004 0.000 0.292 323 G C -0.254 174.711 174.900 0.109 0.000 1.059 323 G CA 0.125 45.286 45.100 0.102 0.000 0.982 323 G HN 0.804 nan 8.290 nan 0.000 0.505 324 I N 1.235 121.881 120.570 0.127 0.000 2.301 324 I HA 0.230 4.402 4.170 0.004 0.000 0.292 324 I C -1.895 174.316 176.117 0.156 0.000 1.046 324 I CA -2.237 59.146 61.300 0.138 0.000 1.282 324 I CB 1.217 39.297 38.000 0.133 0.000 1.409 324 I HN -0.060 nan 8.210 nan 0.000 0.484 325 P HA 0.248 nan 4.420 nan 0.000 0.276 325 P C -0.417 176.999 177.300 0.193 0.000 1.230 325 P CA -0.186 63.004 63.100 0.150 0.000 0.776 325 P CB 0.674 32.444 31.700 0.117 0.000 0.888 326 I N 3.358 124.020 120.570 0.152 0.000 2.352 326 I HA 0.296 4.468 4.170 0.004 0.000 0.290 326 I C 0.495 176.657 176.117 0.074 0.000 1.036 326 I CA -0.441 60.955 61.300 0.159 0.000 1.336 326 I CB 0.649 38.726 38.000 0.129 0.000 1.407 326 I HN 0.142 nan 8.210 nan 0.000 0.497 327 V N 1.603 121.549 119.914 0.052 0.000 3.007 327 V HA 0.511 4.634 4.120 0.004 0.000 0.311 327 V C 0.439 176.548 176.094 0.025 0.000 1.120 327 V CA -0.361 61.933 62.300 -0.011 0.000 0.980 327 V CB 1.568 33.319 31.823 -0.120 0.000 1.033 327 V HN 0.791 nan 8.190 nan 0.000 0.429 328 T N -1.527 113.036 114.554 0.015 0.000 3.040 328 T HA 0.264 4.616 4.350 0.004 0.000 0.252 328 T C 0.850 175.565 174.700 0.025 0.000 1.064 328 T CA 0.853 63.025 62.100 0.119 0.000 1.110 328 T CB 0.155 69.076 68.868 0.088 0.000 0.921 328 T HN 1.133 nan 8.240 nan 0.000 0.480 329 S N 1.403 117.022 115.700 -0.134 0.000 2.542 329 S HA 0.579 5.051 4.470 0.004 0.000 0.293 329 S C -2.486 171.811 174.600 -0.504 0.000 1.089 329 S CA -1.668 56.377 58.200 -0.258 0.000 0.961 329 S CB 1.946 65.059 63.200 -0.145 0.000 1.062 329 S HN -0.041 nan 8.310 nan 0.000 0.483 330 P HA 0.170 nan 4.420 nan 0.000 0.237 330 P C -0.839 175.861 177.300 -1.000 0.000 1.178 330 P CA 0.735 63.123 63.100 -1.187 0.000 0.766 330 P CB -0.085 30.962 31.700 -1.090 0.000 0.876 331 Y N -1.203 118.910 120.300 -0.312 0.000 2.686 331 Y HA 0.672 5.224 4.550 0.004 0.000 0.330 331 Y C 0.344 176.116 175.900 -0.214 0.000 1.082 331 Y CA -1.031 56.937 58.100 -0.220 0.000 1.158 331 Y CB 1.231 39.587 38.460 -0.174 0.000 1.333 331 Y HN -0.359 nan 8.280 nan 0.000 0.519 332 Q N 1.137 120.929 119.800 -0.013 0.000 2.331 332 Q HA 0.472 4.814 4.340 0.004 0.000 0.249 332 Q C -1.920 173.892 176.000 -0.313 0.000 0.913 332 Q CA -0.177 55.528 55.803 -0.163 0.000 0.874 332 Q CB 1.743 30.445 28.738 -0.060 0.000 1.384 332 Q HN 0.617 nan 8.270 nan 0.000 0.427 333 I N 3.328 123.624 120.570 -0.457 0.000 2.331 333 I HA 0.351 4.523 4.170 0.004 0.000 0.292 333 I C -0.657 174.958 176.117 -0.837 0.000 0.998 333 I CA -0.440 60.540 61.300 -0.533 0.000 1.267 333 I CB 0.870 38.601 38.000 -0.449 0.000 1.386 333 I HN 0.589 nan 8.210 nan 0.000 0.476 334 H N 5.338 124.136 119.070 -0.453 0.000 2.600 334 H HA 0.390 4.948 4.556 0.004 0.000 0.357 334 H C -0.769 174.366 175.328 -0.322 0.000 1.106 334 H CA -0.462 55.400 56.048 -0.311 0.000 1.193 334 H CB 1.512 31.265 29.762 -0.015 0.000 1.594 334 H HN 0.403 nan 8.280 nan 0.000 0.526 335 F N 0.551 120.617 119.950 0.193 0.000 2.750 335 F HA 0.100 4.629 4.527 0.003 0.000 0.297 335 F C 1.649 177.518 175.800 0.115 0.000 1.138 335 F CA -0.278 57.802 58.000 0.134 0.000 1.346 335 F CB -0.021 39.028 39.000 0.081 0.000 0.965 335 F HN 0.576 nan 8.300 nan 0.000 0.514 336 T N -3.875 110.835 114.554 0.260 0.000 3.088 336 T HA 0.009 4.362 4.350 0.004 0.000 0.259 336 T C 1.453 176.158 174.700 0.009 0.000 1.122 336 T CA 0.586 62.758 62.100 0.122 0.000 1.095 336 T CB -0.086 68.840 68.868 0.098 0.000 0.930 336 T HN 0.215 nan 8.240 nan 0.000 0.508 337 K N 0.667 121.103 120.400 0.061 0.000 2.358 337 K HA 0.206 4.528 4.320 0.004 0.000 0.200 337 K C 0.400 177.056 176.600 0.093 0.000 1.030 337 K CA -0.061 56.236 56.287 0.017 0.000 1.097 337 K CB 0.900 33.398 32.500 -0.003 0.000 0.862 337 K HN 0.206 nan 8.250 nan 0.000 0.534 338 T N 2.132 116.764 114.554 0.130 0.000 2.823 338 T HA 0.338 4.690 4.350 0.004 0.000 0.279 338 T C -2.815 171.975 174.700 0.149 0.000 0.998 338 T CA -2.680 59.502 62.100 0.136 0.000 0.994 338 T CB 1.178 70.143 68.868 0.162 0.000 0.960 338 T HN -0.210 nan 8.240 nan 0.000 0.448 339 P HA 0.200 nan 4.420 nan 0.000 0.266 339 P C 0.102 177.555 177.300 0.256 0.000 1.195 339 P CA -0.280 62.961 63.100 0.235 0.000 0.768 339 P CB 0.440 32.321 31.700 0.302 0.000 0.838 340 K N 1.655 122.091 120.400 0.061 0.000 2.437 340 K HA 0.141 4.463 4.320 0.004 0.000 0.198 340 K C -0.230 176.060 176.600 -0.516 0.000 1.024 340 K CA 0.245 56.391 56.287 -0.234 0.000 1.148 340 K CB -0.149 32.105 32.500 -0.410 0.000 0.860 340 K HN 0.520 nan 8.250 nan 0.000 0.515 341 Y N 0.088 120.454 120.300 0.110 0.000 2.512 341 Y HA 0.418 4.971 4.550 0.004 0.000 0.348 341 Y C -0.029 175.950 175.900 0.131 0.000 0.990 341 Y CA -1.799 56.343 58.100 0.069 0.000 1.033 341 Y CB 1.434 39.945 38.460 0.084 0.000 1.259 341 Y HN -0.031 nan 8.280 nan 0.000 0.461 342 F N -0.991 118.964 119.950 0.007 0.000 2.631 342 F HA 0.889 5.418 4.527 0.004 0.000 0.328 342 F C -1.422 174.415 175.800 0.063 0.000 1.067 342 F CA -1.628 56.370 58.000 -0.002 0.000 0.969 342 F CB 1.514 40.348 39.000 -0.278 0.000 1.332 342 F HN 0.124 nan 8.300 nan 0.000 0.490 343 K N 2.462 122.832 120.400 -0.049 0.000 2.334 343 K HA 0.429 4.751 4.320 0.004 0.000 0.265 343 K C -2.759 173.667 176.600 -0.290 0.000 1.039 343 K CA -1.957 54.143 56.287 -0.312 0.000 0.920 343 K CB 1.043 33.280 32.500 -0.438 0.000 1.160 343 K HN 0.244 nan 8.250 nan 0.000 0.451 344 P HA -0.096 nan 4.420 nan 0.000 0.259 344 P C 0.735 178.005 177.300 -0.049 0.000 1.163 344 P CA 1.177 64.296 63.100 0.030 0.000 0.760 344 P CB 0.590 32.324 31.700 0.056 0.000 0.762 345 G N 2.087 110.915 108.800 0.048 0.000 2.194 345 G HA2 -0.247 3.715 3.960 0.004 0.000 0.236 345 G HA3 -0.247 3.715 3.960 0.004 0.000 0.236 345 G C 0.024 174.880 174.900 -0.073 0.000 0.987 345 G CA -0.134 44.956 45.100 -0.018 0.000 0.635 345 G HN 0.548 nan 8.290 nan 0.000 0.520 346 M N 1.046 120.594 119.600 -0.087 0.000 2.528 346 M HA 0.534 5.016 4.480 0.004 0.000 0.321 346 M C -2.596 173.668 176.300 -0.060 0.000 1.153 346 M CA -2.204 53.023 55.300 -0.122 0.000 0.951 346 M CB 2.101 34.561 32.600 -0.233 0.000 1.705 346 M HN -0.105 nan 8.290 nan 0.000 0.451 347 P HA 0.084 nan 4.420 nan 0.000 0.271 347 P C -1.136 176.172 177.300 0.012 0.000 1.220 347 P CA -0.077 62.993 63.100 -0.050 0.000 0.768 347 P CB 0.009 31.663 31.700 -0.077 0.000 0.848 348 F N 3.897 123.779 119.950 -0.115 0.000 2.444 348 F HA 0.179 4.708 4.527 0.003 0.000 0.360 348 F C -0.011 175.750 175.800 -0.065 0.000 1.106 348 F CA -0.689 57.266 58.000 -0.077 0.000 1.170 348 F CB 0.054 38.958 39.000 -0.159 0.000 1.113 348 F HN 0.195 nan 8.300 nan 0.000 0.521 349 D N 7.525 127.644 120.400 -0.468 0.000 2.441 349 D HA 0.114 4.757 4.640 0.004 0.000 0.221 349 D C -0.144 175.721 176.300 -0.724 0.000 1.156 349 D CA 0.096 53.830 54.000 -0.443 0.000 0.896 349 D CB 0.884 41.568 40.800 -0.194 0.000 1.028 349 D HN 0.575 nan 8.370 nan 0.000 0.509 350 L N 3.125 123.913 121.223 -0.725 0.000 2.325 350 L HA 0.160 4.502 4.340 0.004 0.000 0.284 350 L C -0.225 176.533 176.870 -0.186 0.000 1.089 350 L CA -0.437 54.067 54.840 -0.560 0.000 0.836 350 L CB 0.204 42.067 42.059 -0.327 0.000 1.184 350 L HN 0.085 nan 8.230 nan 0.000 0.444 351 M N 6.337 125.886 119.600 -0.085 0.000 2.319 351 M HA 0.205 4.687 4.480 0.004 0.000 0.343 351 M C -0.516 175.873 176.300 0.148 0.000 1.364 351 M CA -0.301 55.016 55.300 0.028 0.000 1.292 351 M CB 0.412 33.035 32.600 0.039 0.000 1.432 351 M HN 0.195 nan 8.290 nan 0.000 0.448 352 V N 4.755 124.749 119.914 0.134 0.000 2.488 352 V HA 0.155 4.277 4.120 0.004 0.000 0.277 352 V C -0.266 175.929 176.094 0.168 0.000 1.046 352 V CA -0.319 62.068 62.300 0.145 0.000 0.986 352 V CB 0.515 32.382 31.823 0.073 0.000 0.989 352 V HN 0.547 nan 8.190 nan 0.000 0.475 353 F N 6.803 126.741 119.950 -0.021 0.000 2.293 353 F HA 0.587 5.117 4.527 0.004 0.000 0.370 353 F C -0.158 175.657 175.800 0.026 0.000 1.090 353 F CA -1.017 56.989 58.000 0.011 0.000 1.133 353 F CB 0.939 39.965 39.000 0.042 0.000 1.360 353 F HN 0.257 nan 8.300 nan 0.000 0.489 354 V N 4.825 124.594 119.914 -0.242 0.000 2.509 354 V HA 0.604 4.726 4.120 0.004 0.000 0.284 354 V C 0.209 176.049 176.094 -0.424 0.000 1.047 354 V CA -0.165 61.953 62.300 -0.303 0.000 0.952 354 V CB 1.397 33.086 31.823 -0.223 0.000 0.988 354 V HN 0.830 nan 8.190 nan 0.000 0.469 355 T N 0.947 115.338 114.554 -0.273 0.000 2.883 355 T HA 0.451 4.803 4.350 0.004 0.000 0.301 355 T C -0.590 174.120 174.700 0.016 0.000 1.158 355 T CA -0.972 61.014 62.100 -0.190 0.000 1.007 355 T CB 1.736 70.418 68.868 -0.310 0.000 1.186 355 T HN 0.460 nan 8.240 nan 0.000 0.499 356 N N 2.007 120.736 118.700 0.048 0.000 2.467 356 N HA 0.248 4.990 4.740 0.004 0.000 0.262 356 N C -1.809 173.707 175.510 0.009 0.000 1.234 356 N CA -1.507 51.563 53.050 0.034 0.000 0.952 356 N CB 1.216 39.753 38.487 0.082 0.000 1.158 356 N HN 0.462 nan 8.380 nan 0.000 0.463 357 P HA -0.125 nan 4.420 nan 0.000 0.223 357 P C 0.346 177.677 177.300 0.053 0.000 1.144 357 P CA 1.145 64.241 63.100 -0.007 0.000 0.783 357 P CB 0.133 31.817 31.700 -0.028 0.000 0.771 358 D N -2.401 118.043 120.400 0.073 0.000 2.347 358 D HA 0.083 4.725 4.640 0.004 0.000 0.213 358 D C 1.538 177.870 176.300 0.054 0.000 0.985 358 D CA 0.945 54.988 54.000 0.071 0.000 0.879 358 D CB -0.723 40.125 40.800 0.081 0.000 0.919 358 D HN 0.217 nan 8.370 nan 0.000 0.526 359 G N -0.084 108.739 108.800 0.038 0.000 2.253 359 G HA2 -0.238 3.724 3.960 0.004 0.000 0.209 359 G HA3 -0.238 3.724 3.960 0.004 0.000 0.209 359 G C 0.397 175.314 174.900 0.029 0.000 0.997 359 G CA 0.103 45.211 45.100 0.014 0.000 0.640 359 G HN 0.826 nan 8.290 nan 0.000 0.496 360 S N 2.031 117.764 115.700 0.054 0.000 2.560 360 S HA 0.525 4.997 4.470 0.004 0.000 0.284 360 S C -1.828 172.819 174.600 0.078 0.000 1.327 360 S CA -0.492 57.758 58.200 0.083 0.000 1.055 360 S CB 1.183 64.432 63.200 0.082 0.000 0.868 360 S HN 0.326 nan 8.310 nan 0.000 0.506 361 P HA 0.141 nan 4.420 nan 0.000 0.263 361 P C 0.000 177.384 177.300 0.139 0.000 1.175 361 P CA 0.164 63.369 63.100 0.175 0.000 0.761 361 P CB 0.081 31.941 31.700 0.266 0.000 0.794 362 A N 3.521 126.400 122.820 0.098 0.000 2.250 362 A HA 0.586 4.908 4.320 0.004 0.000 0.283 362 A C -0.859 176.850 177.584 0.209 0.000 1.206 362 A CA 0.028 52.149 52.037 0.140 0.000 0.840 362 A CB 0.344 19.364 19.000 0.034 0.000 1.220 362 A HN 0.572 nan 8.150 nan 0.000 0.505 363 Y N -1.518 118.788 120.300 0.009 0.000 2.465 363 Y HA 0.411 4.963 4.550 0.003 0.000 0.323 363 Y C 0.290 176.178 175.900 -0.019 0.000 1.191 363 Y CA -0.536 57.569 58.100 0.008 0.000 1.082 363 Y CB 1.142 39.623 38.460 0.036 0.000 1.334 363 Y HN 0.789 nan 8.280 nan 0.000 0.449 364 R N 1.972 122.281 120.500 -0.318 0.000 3.627 364 R HA -0.133 4.209 4.340 0.004 0.000 0.281 364 R C -1.313 174.912 176.300 -0.126 0.000 1.140 364 R CA 0.852 56.843 56.100 -0.182 0.000 0.761 364 R CB -2.430 27.870 30.300 0.000 0.000 1.181 364 R HN 0.232 nan 8.270 nan 0.000 0.472 365 V N 1.966 121.768 119.914 -0.187 0.000 2.364 365 V HA 0.242 4.364 4.120 0.004 0.000 0.272 365 V C -1.713 174.249 176.094 -0.219 0.000 1.036 365 V CA -1.651 60.484 62.300 -0.275 0.000 0.880 365 V CB 1.674 33.212 31.823 -0.475 0.000 0.991 365 V HN -0.032 nan 8.190 nan 0.000 0.460 366 P HA 0.276 nan 4.420 nan 0.000 0.271 366 P C -0.804 176.417 177.300 -0.132 0.000 1.216 366 P CA -0.013 63.011 63.100 -0.127 0.000 0.771 366 P CB 0.907 32.552 31.700 -0.091 0.000 0.864 367 V N -0.166 119.688 119.914 -0.100 0.000 2.686 367 V HA 0.932 5.054 4.120 0.004 0.000 0.306 367 V C -0.742 175.322 176.094 -0.050 0.000 1.065 367 V CA -1.247 61.006 62.300 -0.079 0.000 0.894 367 V CB 1.576 33.354 31.823 -0.076 0.000 1.004 367 V HN 0.631 nan 8.190 nan 0.000 0.424 368 A N 3.551 126.350 122.820 -0.035 0.000 2.413 368 A HA 0.913 5.235 4.320 0.004 0.000 0.307 368 A C -0.612 176.967 177.584 -0.008 0.000 1.087 368 A CA -0.853 51.169 52.037 -0.024 0.000 0.750 368 A CB 2.085 21.070 19.000 -0.025 0.000 1.296 368 A HN 1.286 nan 8.150 nan 0.000 0.423 369 V N 2.119 122.029 119.914 -0.007 0.000 2.461 369 V HA 0.161 4.283 4.120 0.004 0.000 0.275 369 V C 0.721 176.813 176.094 -0.002 0.000 1.047 369 V CA -0.164 62.136 62.300 0.001 0.000 0.955 369 V CB 1.180 32.998 31.823 -0.007 0.000 0.988 369 V HN 0.953 nan 8.190 nan 0.000 0.471 370 Q N 3.062 122.864 119.800 0.004 0.000 2.244 370 Q HA 0.372 4.714 4.340 0.004 0.000 0.278 370 Q C 1.110 177.108 176.000 -0.004 0.000 1.093 370 Q CA 1.082 56.885 55.803 0.001 0.000 0.916 370 Q CB 0.248 28.989 28.738 0.006 0.000 1.159 370 Q HN 1.093 nan 8.270 nan 0.000 0.384 371 G N 3.579 112.375 108.800 -0.005 0.000 2.491 371 G HA2 -0.173 3.789 3.960 0.004 0.000 0.203 371 G HA3 -0.173 3.789 3.960 0.004 0.000 0.203 371 G C -0.082 174.813 174.900 -0.008 0.000 1.052 371 G CA -0.396 44.700 45.100 -0.006 0.000 0.675 371 G HN 0.562 nan 8.290 nan 0.000 0.504 372 E N 1.709 121.903 120.200 -0.010 0.000 2.231 372 E HA 0.478 4.830 4.350 0.004 0.000 0.277 372 E C -1.047 175.545 176.600 -0.014 0.000 0.999 372 E CA -0.413 55.979 56.400 -0.013 0.000 0.827 372 E CB 1.326 31.017 29.700 -0.016 0.000 1.101 372 E HN 0.362 nan 8.360 nan 0.000 0.393 373 D N 0.600 120.991 120.400 -0.015 0.000 2.217 373 D HA 0.198 4.840 4.640 0.004 0.000 0.248 373 D C 0.395 176.683 176.300 -0.020 0.000 1.008 373 D CA -0.099 53.891 54.000 -0.017 0.000 0.914 373 D CB 1.601 42.393 40.800 -0.015 0.000 1.182 373 D HN 0.447 nan 8.370 nan 0.000 0.451 374 T N -1.087 113.453 114.554 -0.023 0.000 10.222 374 T HA -0.206 4.146 4.350 0.004 0.000 0.382 374 T C 0.886 175.569 174.700 -0.030 0.000 1.698 374 T CA 0.848 62.932 62.100 -0.026 0.000 2.662 374 T CB -1.087 67.767 68.868 -0.023 0.000 2.712 374 T HN 0.352 nan 8.240 nan 0.000 1.066 375 V N 4.359 124.256 119.914 -0.028 0.000 2.427 375 V HA 0.187 4.309 4.120 0.004 0.000 0.240 375 V C 0.622 176.695 176.094 -0.035 0.000 1.128 375 V CA 1.303 63.584 62.300 -0.031 0.000 1.262 375 V CB -1.058 30.747 31.823 -0.029 0.000 1.277 375 V HN 0.696 nan 8.190 nan 0.000 0.482 376 Q N 2.843 122.619 119.800 -0.040 0.000 2.626 376 Q HA 0.780 5.122 4.340 0.004 0.000 0.300 376 Q C -0.994 174.975 176.000 -0.052 0.000 0.988 376 Q CA -0.832 54.943 55.803 -0.046 0.000 0.761 376 Q CB 2.572 31.281 28.738 -0.049 0.000 1.494 376 Q HN 0.400 nan 8.270 nan 0.000 0.439 377 S N 0.672 116.335 115.700 -0.061 0.000 2.536 377 S HA 0.301 4.773 4.470 0.004 0.000 0.246 377 S C -0.472 174.075 174.600 -0.087 0.000 1.077 377 S CA -0.812 57.347 58.200 -0.068 0.000 1.091 377 S CB 0.079 63.242 63.200 -0.062 0.000 1.148 377 S HN 0.680 nan 8.310 nan 0.000 0.447 378 L N 2.761 123.924 121.223 -0.099 0.000 2.776 378 L HA -0.020 4.322 4.340 0.004 0.000 0.283 378 L C 1.410 178.183 176.870 -0.162 0.000 1.194 378 L CA 0.424 55.184 54.840 -0.132 0.000 0.947 378 L CB -0.339 41.639 42.059 -0.135 0.000 1.255 378 L HN 0.811 nan 8.230 nan 0.000 0.481 379 T N 4.021 118.476 114.554 -0.165 0.000 2.939 379 T HA 0.024 4.376 4.350 0.004 0.000 0.319 379 T C 0.382 174.937 174.700 -0.242 0.000 1.082 379 T CA -0.090 61.923 62.100 -0.146 0.000 1.133 379 T CB 0.420 69.224 68.868 -0.107 0.000 1.019 379 T HN 0.582 nan 8.240 nan 0.000 0.548 380 Q N 2.300 121.997 119.800 -0.171 0.000 2.364 380 Q HA 0.405 4.748 4.340 0.004 0.000 0.204 380 Q C 1.967 177.927 176.000 -0.068 0.000 1.002 380 Q CA -0.499 55.169 55.803 -0.225 0.000 1.012 380 Q CB 0.143 28.817 28.738 -0.107 0.000 1.188 380 Q HN 0.854 nan 8.270 nan 0.000 0.522 381 G N 1.287 110.144 108.800 0.095 0.000 2.475 381 G HA2 -0.288 3.674 3.960 0.004 0.000 0.220 381 G HA3 -0.288 3.674 3.960 0.004 0.000 0.220 381 G C 0.866 175.893 174.900 0.212 0.000 1.125 381 G CA 1.441 46.731 45.100 0.317 0.000 0.755 381 G HN 0.769 nan 8.290 nan 0.000 0.565 382 D N -0.264 120.215 120.400 0.132 0.000 2.347 382 D HA 0.132 4.774 4.640 0.004 0.000 0.215 382 D C 1.811 178.246 176.300 0.226 0.000 0.976 382 D CA 1.091 55.163 54.000 0.120 0.000 0.884 382 D CB -0.617 40.209 40.800 0.042 0.000 0.915 382 D HN 0.626 nan 8.370 nan 0.000 0.526 383 G N -0.581 108.368 108.800 0.248 0.000 2.175 383 G HA2 -0.227 3.735 3.960 0.004 0.000 0.244 383 G HA3 -0.227 3.735 3.960 0.004 0.000 0.244 383 G C 0.055 175.163 174.900 0.347 0.000 0.982 383 G CA 0.211 45.517 45.100 0.343 0.000 0.641 383 G HN 0.400 nan 8.290 nan 0.000 0.527 384 V N 0.781 120.827 119.914 0.220 0.000 2.483 384 V HA 0.856 4.979 4.120 0.004 0.000 0.295 384 V C 0.525 176.649 176.094 0.049 0.000 1.035 384 V CA -0.156 62.241 62.300 0.162 0.000 0.896 384 V CB 1.581 33.466 31.823 0.104 0.000 0.986 384 V HN 1.203 nan 8.190 nan 0.000 0.447 385 A N 4.126 126.963 122.820 0.029 0.000 2.355 385 A HA 0.812 5.135 4.320 0.004 0.000 0.324 385 A C -0.551 177.023 177.584 -0.015 0.000 1.117 385 A CA -0.822 51.204 52.037 -0.019 0.000 0.785 385 A CB 1.450 20.423 19.000 -0.044 0.000 1.254 385 A HN 0.783 nan 8.150 nan 0.000 0.453 386 K N 2.061 122.438 120.400 -0.038 0.000 2.274 386 K HA 0.662 4.984 4.320 0.004 0.000 0.262 386 K C -1.664 174.898 176.600 -0.064 0.000 0.961 386 K CA -0.333 55.922 56.287 -0.054 0.000 0.833 386 K CB 0.700 33.164 32.500 -0.059 0.000 1.102 386 K HN 0.650 nan 8.250 nan 0.000 0.436 387 L N 4.180 125.355 121.223 -0.081 0.000 2.342 387 L HA 0.319 4.661 4.340 0.004 0.000 0.276 387 L C -0.509 176.287 176.870 -0.123 0.000 0.997 387 L CA -0.886 53.905 54.840 -0.080 0.000 0.838 387 L CB 1.802 43.831 42.059 -0.051 0.000 1.224 387 L HN 0.678 nan 8.230 nan 0.000 0.416 388 S N 3.898 119.536 115.700 -0.103 0.000 2.404 388 S HA 0.620 5.092 4.470 0.004 0.000 0.309 388 S C -0.294 174.256 174.600 -0.084 0.000 1.076 388 S CA -0.651 57.481 58.200 -0.113 0.000 1.095 388 S CB 0.624 63.770 63.200 -0.091 0.000 0.972 388 S HN 0.421 nan 8.310 nan 0.000 0.484 389 I N 3.112 123.638 120.570 -0.074 0.000 2.353 389 I HA 0.270 4.442 4.170 0.004 0.000 0.293 389 I C 0.090 176.169 176.117 -0.062 0.000 0.992 389 I CA -0.866 60.404 61.300 -0.050 0.000 1.268 389 I CB 0.797 38.788 38.000 -0.016 0.000 1.387 389 I HN 0.525 nan 8.210 nan 0.000 0.478 390 N N 3.959 122.603 118.700 -0.092 0.000 2.518 390 N HA 0.245 4.987 4.740 0.004 0.000 0.266 390 N C -0.186 175.207 175.510 -0.195 0.000 1.196 390 N CA 0.072 53.041 53.050 -0.135 0.000 0.947 390 N CB 1.327 39.723 38.487 -0.153 0.000 1.098 390 N HN 0.691 nan 8.380 nan 0.000 0.450 391 T N -1.407 113.026 114.554 -0.202 0.000 2.900 391 T HA 0.394 4.746 4.350 0.004 0.000 0.295 391 T C -0.491 174.089 174.700 -0.200 0.000 1.044 391 T CA -0.887 61.100 62.100 -0.189 0.000 0.995 391 T CB 1.421 70.249 68.868 -0.066 0.000 1.072 391 T HN 0.351 nan 8.240 nan 0.000 0.473 392 H N 1.732 120.835 119.070 0.055 0.000 2.508 392 H HA 0.284 4.842 4.556 0.004 0.000 0.344 392 H C -1.878 173.518 175.328 0.114 0.000 1.192 392 H CA -2.032 54.055 56.048 0.066 0.000 1.290 392 H CB 1.301 31.090 29.762 0.046 0.000 1.571 392 H HN 0.421 nan 8.280 nan 0.000 0.555 393 P HA -0.142 nan 4.420 nan 0.000 0.226 393 P C 0.462 177.864 177.300 0.170 0.000 1.146 393 P CA 0.771 63.976 63.100 0.175 0.000 0.773 393 P CB 0.009 31.796 31.700 0.145 0.000 0.772 394 S N -0.075 115.732 115.700 0.179 0.000 2.558 394 S HA -0.057 4.416 4.470 0.004 0.000 0.287 394 S C 0.898 175.589 174.600 0.151 0.000 1.321 394 S CA -0.064 58.216 58.200 0.134 0.000 1.048 394 S CB 0.338 63.599 63.200 0.103 0.000 0.844 394 S HN 0.049 nan 8.310 nan 0.000 0.512 395 Q N 0.620 120.479 119.800 0.099 0.000 2.212 395 Q HA 0.223 4.565 4.340 0.004 0.000 0.213 395 Q C 0.050 176.105 176.000 0.092 0.000 0.874 395 Q CA 0.108 55.959 55.803 0.079 0.000 0.965 395 Q CB -0.129 28.630 28.738 0.035 0.000 1.074 395 Q HN 0.725 nan 8.270 nan 0.000 0.473 396 K N 2.377 122.846 120.400 0.115 0.000 2.322 396 K HA 0.193 4.515 4.320 0.004 0.000 0.283 396 K C -2.361 174.325 176.600 0.144 0.000 1.042 396 K CA -1.584 54.759 56.287 0.094 0.000 0.958 396 K CB 0.671 33.209 32.500 0.064 0.000 0.984 396 K HN -0.106 nan 8.250 nan 0.000 0.473 397 P HA 0.024 nan 4.420 nan 0.000 0.272 397 P C -0.788 176.510 177.300 -0.004 0.000 1.223 397 P CA -0.152 63.009 63.100 0.102 0.000 0.784 397 P CB 0.510 32.231 31.700 0.035 0.000 0.923 398 L N 1.710 122.858 121.223 -0.125 0.000 2.278 398 L HA 0.206 4.548 4.340 0.004 0.000 0.287 398 L C 0.632 177.391 176.870 -0.186 0.000 1.072 398 L CA -0.009 54.674 54.840 -0.262 0.000 0.819 398 L CB 0.604 42.324 42.059 -0.565 0.000 1.176 398 L HN 0.342 nan 8.230 nan 0.000 0.435 399 S N 5.266 120.891 115.700 -0.125 0.000 2.420 399 S HA 0.582 5.054 4.470 0.004 0.000 0.313 399 S C -0.377 174.166 174.600 -0.095 0.000 1.079 399 S CA -0.506 57.633 58.200 -0.102 0.000 1.104 399 S CB 0.034 63.196 63.200 -0.064 0.000 0.969 399 S HN 0.373 nan 8.310 nan 0.000 0.471 400 I N 4.011 124.513 120.570 -0.113 0.000 2.389 400 I HA 0.305 4.477 4.170 0.004 0.000 0.288 400 I C -0.004 176.075 176.117 -0.063 0.000 0.999 400 I CA -0.456 60.794 61.300 -0.084 0.000 1.129 400 I CB 2.222 40.173 38.000 -0.082 0.000 1.288 400 I HN 0.348 nan 8.210 nan 0.000 0.444 401 T N 5.766 120.317 114.554 -0.004 0.000 2.758 401 T HA 0.457 4.810 4.350 0.004 0.000 0.285 401 T C -0.041 174.707 174.700 0.080 0.000 0.981 401 T CA -0.357 61.774 62.100 0.050 0.000 0.965 401 T CB 1.306 70.193 68.868 0.032 0.000 0.927 401 T HN 0.163 nan 8.240 nan 0.000 0.448 402 V N 4.858 124.873 119.914 0.168 0.000 2.716 402 V HA 0.614 4.736 4.120 0.004 0.000 0.304 402 V C 0.286 176.416 176.094 0.060 0.000 1.053 402 V CA -0.811 61.567 62.300 0.131 0.000 0.984 402 V CB 1.692 33.647 31.823 0.221 0.000 1.021 402 V HN 0.725 nan 8.190 nan 0.000 0.467 403 R N 0.749 121.258 120.500 0.015 0.000 2.673 403 R HA 0.522 4.864 4.340 0.004 0.000 0.281 403 R C -0.534 175.739 176.300 -0.044 0.000 0.991 403 R CA -0.626 55.465 56.100 -0.015 0.000 0.896 403 R CB 2.253 32.547 30.300 -0.010 0.000 1.201 403 R HN 0.894 nan 8.270 nan 0.000 0.457 404 T N -0.311 114.203 114.554 -0.067 0.000 2.899 404 T HA 0.285 4.637 4.350 0.004 0.000 0.295 404 T C 0.275 174.934 174.700 -0.068 0.000 1.033 404 T CA -0.545 61.494 62.100 -0.102 0.000 1.084 404 T CB 0.951 69.733 68.868 -0.144 0.000 0.979 404 T HN 0.279 nan 8.240 nan 0.000 0.532 405 K N 1.466 121.819 120.400 -0.079 0.000 3.253 405 K HA 0.246 4.568 4.320 0.004 0.000 0.174 405 K C -0.413 176.160 176.600 -0.046 0.000 1.071 405 K CA -0.719 55.539 56.287 -0.049 0.000 0.836 405 K CB 1.046 33.521 32.500 -0.042 0.000 0.922 405 K HN 0.513 nan 8.250 nan 0.000 0.565 406 K N 1.752 122.129 120.400 -0.038 0.000 2.368 406 K HA 0.082 4.404 4.320 0.004 0.000 0.282 406 K C 1.131 177.736 176.600 0.010 0.000 1.035 406 K CA 0.528 56.811 56.287 -0.007 0.000 0.973 406 K CB 0.719 33.261 32.500 0.070 0.000 0.957 406 K HN 0.204 nan 8.250 nan 0.000 0.474 407 Q N 2.351 122.155 119.800 0.007 0.000 2.046 407 Q HA -0.186 4.156 4.340 0.004 0.000 0.200 407 Q C 0.935 176.940 176.000 0.008 0.000 0.975 407 Q CA 1.971 57.776 55.803 0.004 0.000 0.836 407 Q CB 0.053 28.793 28.738 0.002 0.000 0.896 407 Q HN 0.690 nan 8.270 nan 0.000 0.428 408 E N 0.297 120.506 120.200 0.016 0.000 2.358 408 E HA -0.028 4.324 4.350 0.004 0.000 0.195 408 E C 0.123 176.725 176.600 0.004 0.000 1.010 408 E CA 0.209 56.617 56.400 0.013 0.000 0.856 408 E CB -0.202 29.509 29.700 0.019 0.000 0.795 408 E HN 0.055 nan 8.360 nan 0.000 0.504 409 L N 1.354 122.578 121.223 0.002 0.000 2.474 409 L HA 0.168 4.510 4.340 0.004 0.000 0.259 409 L C 0.768 177.627 176.870 -0.019 0.000 1.232 409 L CA 0.084 54.908 54.840 -0.026 0.000 0.821 409 L CB 0.495 42.541 42.059 -0.023 0.000 1.108 409 L HN 0.176 nan 8.230 nan 0.000 0.495 410 S N -0.974 114.710 115.700 -0.027 0.000 2.747 410 S HA 0.375 4.847 4.470 0.004 0.000 0.300 410 S C 0.763 175.357 174.600 -0.010 0.000 1.121 410 S CA -0.737 57.457 58.200 -0.011 0.000 0.995 410 S CB 1.172 64.371 63.200 -0.001 0.000 1.113 410 S HN 0.515 nan 8.310 nan 0.000 0.547 411 E N 0.947 121.144 120.200 -0.005 0.000 2.070 411 E HA -0.188 4.164 4.350 0.004 0.000 0.197 411 E C 2.290 178.892 176.600 0.003 0.000 1.004 411 E CA 1.738 58.136 56.400 -0.003 0.000 0.805 411 E CB -0.903 28.796 29.700 -0.003 0.000 0.744 411 E HN 0.806 nan 8.360 nan 0.000 0.451 412 A N 1.115 123.944 122.820 0.015 0.000 2.019 412 A HA -0.196 4.126 4.320 0.004 0.000 0.219 412 A C 1.791 179.401 177.584 0.043 0.000 1.164 412 A CA 1.461 53.523 52.037 0.042 0.000 0.644 412 A CB -0.345 18.696 19.000 0.069 0.000 0.805 412 A HN 0.238 nan 8.150 nan 0.000 0.449 413 E N -0.101 120.099 120.200 -0.001 0.000 2.489 413 E HA 0.008 4.360 4.350 0.004 0.000 0.193 413 E C -0.130 176.433 176.600 -0.062 0.000 1.057 413 E CA -0.199 56.154 56.400 -0.080 0.000 0.866 413 E CB 0.115 29.687 29.700 -0.213 0.000 0.916 413 E HN 0.533 nan 8.360 nan 0.000 0.500 414 Q N 0.904 120.691 119.800 -0.021 0.000 2.304 414 Q HA 0.307 4.649 4.340 0.004 0.000 0.260 414 Q C -0.142 175.851 176.000 -0.012 0.000 0.965 414 Q CA -0.115 55.686 55.803 -0.004 0.000 0.898 414 Q CB 1.258 29.991 28.738 -0.008 0.000 1.196 414 Q HN 0.110 nan 8.270 nan 0.000 0.402 415 A N 2.457 125.274 122.820 -0.005 0.000 2.386 415 A HA 0.493 4.815 4.320 0.004 0.000 0.248 415 A C 0.182 177.736 177.584 -0.050 0.000 1.082 415 A CA 0.016 52.031 52.037 -0.037 0.000 0.789 415 A CB 0.730 19.708 19.000 -0.036 0.000 1.025 415 A HN 0.623 nan 8.150 nan 0.000 0.490 416 T N 0.386 114.905 114.554 -0.058 0.000 3.041 416 T HA 0.615 4.967 4.350 0.004 0.000 0.321 416 T C -1.021 173.656 174.700 -0.038 0.000 1.184 416 T CA -0.582 61.497 62.100 -0.035 0.000 1.050 416 T CB 0.916 69.779 68.868 -0.009 0.000 1.159 416 T HN 0.978 nan 8.240 nan 0.000 0.469 417 R N 1.844 122.349 120.500 0.009 0.000 2.604 417 R HA 0.701 5.043 4.340 0.004 0.000 0.270 417 R C -1.273 175.214 176.300 0.311 0.000 1.052 417 R CA -0.455 55.694 56.100 0.083 0.000 0.902 417 R CB 2.255 32.485 30.300 -0.116 0.000 1.233 417 R HN 0.662 nan 8.270 nan 0.000 0.455 418 T N 3.254 117.981 114.554 0.289 0.000 2.918 418 T HA 0.774 5.127 4.350 0.004 0.000 0.286 418 T C -0.652 174.087 174.700 0.066 0.000 1.026 418 T CA -0.620 61.581 62.100 0.168 0.000 1.031 418 T CB 0.641 69.545 68.868 0.060 0.000 1.046 418 T HN 0.623 nan 8.240 nan 0.000 0.479 419 M N 2.370 121.826 119.600 -0.240 0.000 2.716 419 M HA 0.651 5.133 4.480 0.004 0.000 0.278 419 M C -1.660 174.495 176.300 -0.242 0.000 1.281 419 M CA -0.965 54.117 55.300 -0.363 0.000 0.814 419 M CB 2.267 34.319 32.600 -0.913 0.000 1.719 419 M HN 0.502 nan 8.290 nan 0.000 0.457 420 Q N 1.160 120.835 119.800 -0.209 0.000 2.323 420 Q HA 0.797 5.139 4.340 0.004 0.000 0.271 420 Q C -2.076 173.795 176.000 -0.215 0.000 1.048 420 Q CA -0.714 54.984 55.803 -0.174 0.000 0.792 420 Q CB 2.521 31.190 28.738 -0.114 0.000 1.280 420 Q HN 0.971 nan 8.270 nan 0.000 0.441 421 A N 4.863 127.531 122.820 -0.254 0.000 2.318 421 A HA 0.638 4.960 4.320 0.004 0.000 0.324 421 A C -1.042 176.505 177.584 -0.063 0.000 1.170 421 A CA -0.626 51.222 52.037 -0.314 0.000 0.810 421 A CB 0.677 19.219 19.000 -0.763 0.000 1.198 421 A HN 0.790 nan 8.150 nan 0.000 0.484 422 L N 3.209 124.398 121.223 -0.057 0.000 2.343 422 L HA 0.446 4.788 4.340 0.004 0.000 0.275 422 L C -2.222 174.720 176.870 0.119 0.000 1.056 422 L CA -2.147 52.756 54.840 0.105 0.000 0.804 422 L CB 1.893 44.016 42.059 0.107 0.000 1.203 422 L HN 0.437 nan 8.230 nan 0.000 0.440 423 P HA 0.041 nan 4.420 nan 0.000 0.278 423 P C -1.245 175.942 177.300 -0.189 0.000 1.238 423 P CA -0.289 62.465 63.100 -0.576 0.000 0.794 423 P CB 0.334 31.784 31.700 -0.418 0.000 0.955 424 Y N 2.814 122.939 120.300 -0.293 0.000 2.587 424 Y HA 0.159 4.711 4.550 0.003 0.000 0.344 424 Y C 0.158 176.031 175.900 -0.045 0.000 1.061 424 Y CA 0.324 58.361 58.100 -0.105 0.000 1.370 424 Y CB -0.004 38.464 38.460 0.012 0.000 1.163 424 Y HN 0.314 nan 8.280 nan 0.000 0.527 425 S N 3.949 119.406 115.700 -0.404 0.000 2.537 425 S HA 0.418 4.891 4.470 0.004 0.000 0.275 425 S C 0.156 174.501 174.600 -0.426 0.000 1.272 425 S CA -0.592 57.434 58.200 -0.290 0.000 1.050 425 S CB 0.988 64.055 63.200 -0.220 0.000 0.961 425 S HN 0.765 nan 8.310 nan 0.000 0.496 426 T N -0.710 113.703 114.554 -0.234 0.000 2.847 426 T HA 0.501 4.853 4.350 0.004 0.000 0.279 426 T C 0.047 174.655 174.700 -0.152 0.000 0.984 426 T CA -0.898 61.069 62.100 -0.222 0.000 0.988 426 T CB 0.488 69.193 68.868 -0.272 0.000 1.040 426 T HN 0.452 nan 8.240 nan 0.000 0.528 427 V N 1.943 121.792 119.914 -0.110 0.000 2.427 427 V HA 0.503 4.625 4.120 0.004 0.000 0.268 427 V C 1.563 177.615 176.094 -0.070 0.000 1.046 427 V CA 0.517 62.776 62.300 -0.068 0.000 0.970 427 V CB -0.196 31.590 31.823 -0.061 0.000 1.001 427 V HN 1.408 nan 8.190 nan 0.000 0.476 428 G N 4.913 113.680 108.800 -0.055 0.000 2.198 428 G HA2 -0.329 3.633 3.960 0.004 0.000 0.260 428 G HA3 -0.329 3.633 3.960 0.004 0.000 0.260 428 G C 0.314 175.188 174.900 -0.044 0.000 1.025 428 G CA 0.346 45.418 45.100 -0.046 0.000 0.769 428 G HN 1.051 nan 8.290 nan 0.000 0.507 429 N N -1.300 117.369 118.700 -0.052 0.000 2.705 429 N HA -0.219 4.523 4.740 0.004 0.000 0.255 429 N C 1.518 177.003 175.510 -0.041 0.000 1.008 429 N CA 1.587 54.612 53.050 -0.042 0.000 0.742 429 N CB -1.073 37.403 38.487 -0.018 0.000 0.906 429 N HN 1.173 nan 8.380 nan 0.000 0.541 430 S N -0.769 114.890 115.700 -0.069 0.000 2.453 430 S HA -0.062 4.411 4.470 0.004 0.000 0.231 430 S C 1.031 175.601 174.600 -0.050 0.000 1.005 430 S CA 0.611 58.775 58.200 -0.060 0.000 0.949 430 S CB 0.163 63.316 63.200 -0.077 0.000 0.774 430 S HN 0.477 nan 8.310 nan 0.000 0.510 431 N N 1.839 120.476 118.700 -0.105 0.000 2.708 431 N HA -0.113 4.629 4.740 0.004 0.000 0.251 431 N C -1.523 173.928 175.510 -0.098 0.000 1.123 431 N CA 0.954 53.961 53.050 -0.072 0.000 0.739 431 N CB -1.932 36.626 38.487 0.118 0.000 1.113 431 N HN 0.583 nan 8.380 nan 0.000 0.561 432 N N 0.427 119.000 118.700 -0.212 0.000 2.456 432 N HA 0.448 5.190 4.740 0.004 0.000 0.288 432 N C -0.194 175.180 175.510 -0.226 0.000 1.059 432 N CA 0.092 53.120 53.050 -0.035 0.000 0.946 432 N CB 0.645 39.187 38.487 0.092 0.000 1.150 432 N HN 0.162 nan 8.380 nan 0.000 0.479 433 Y N -0.071 120.336 120.300 0.177 0.000 2.634 433 Y HA 0.578 5.130 4.550 0.003 0.000 0.340 433 Y C -0.571 175.433 175.900 0.173 0.000 1.058 433 Y CA -1.273 56.874 58.100 0.078 0.000 1.081 433 Y CB 1.580 40.038 38.460 -0.003 0.000 1.295 433 Y HN 0.252 nan 8.280 nan 0.000 0.487 434 L N 1.396 122.745 121.223 0.209 0.000 2.381 434 L HA 0.517 4.859 4.340 0.004 0.000 0.274 434 L C -1.623 175.284 176.870 0.062 0.000 0.988 434 L CA -0.476 54.480 54.840 0.193 0.000 0.824 434 L CB 1.134 43.298 42.059 0.174 0.000 1.263 434 L HN 0.729 nan 8.230 nan 0.000 0.410 435 H N 4.526 123.567 119.070 -0.047 0.000 2.539 435 H HA 0.600 5.159 4.556 0.004 0.000 0.332 435 H C -1.416 173.809 175.328 -0.173 0.000 1.031 435 H CA -0.402 55.581 56.048 -0.108 0.000 1.206 435 H CB 1.099 30.812 29.762 -0.081 0.000 1.446 435 H HN 0.678 nan 8.280 nan 0.000 0.496 436 L N 4.400 125.163 121.223 -0.767 0.000 2.292 436 L HA 0.361 4.703 4.340 0.004 0.000 0.284 436 L C -0.022 176.317 176.870 -0.884 0.000 1.065 436 L CA -0.586 53.802 54.840 -0.753 0.000 0.806 436 L CB 1.265 42.956 42.059 -0.612 0.000 1.175 436 L HN 0.692 nan 8.230 nan 0.000 0.431 437 S N 3.231 118.619 115.700 -0.520 0.000 2.521 437 S HA 0.843 5.316 4.470 0.004 0.000 0.295 437 S C -0.899 173.580 174.600 -0.202 0.000 1.098 437 S CA -0.627 57.407 58.200 -0.276 0.000 0.999 437 S CB 2.043 65.210 63.200 -0.056 0.000 1.034 437 S HN 0.257 nan 8.310 nan 0.000 0.483 438 V N 3.465 123.287 119.914 -0.154 0.000 2.925 438 V HA 0.540 4.662 4.120 0.004 0.000 0.311 438 V C -0.643 175.395 176.094 -0.094 0.000 1.104 438 V CA -0.877 61.346 62.300 -0.129 0.000 0.954 438 V CB 1.883 33.615 31.823 -0.152 0.000 1.022 438 V HN 0.949 nan 8.190 nan 0.000 0.427 439 L N 2.820 123.996 121.223 -0.078 0.000 2.418 439 L HA 0.576 4.918 4.340 0.004 0.000 0.265 439 L C 0.370 177.195 176.870 -0.074 0.000 1.143 439 L CA -0.057 54.744 54.840 -0.065 0.000 0.809 439 L CB 0.841 42.868 42.059 -0.052 0.000 1.124 439 L HN 0.660 nan 8.230 nan 0.000 0.456 440 R N 1.807 122.268 120.500 -0.066 0.000 2.522 440 R HA 0.439 4.781 4.340 0.004 0.000 0.290 440 R C -1.355 174.909 176.300 -0.059 0.000 1.216 440 R CA -0.157 55.900 56.100 -0.071 0.000 1.250 440 R CB -0.223 30.042 30.300 -0.058 0.000 1.143 440 R HN 0.729 nan 8.270 nan 0.000 0.553 441 T N 0.157 114.673 114.554 -0.064 0.000 2.971 441 T HA 0.332 4.684 4.350 0.004 0.000 0.304 441 T C -0.611 174.055 174.700 -0.057 0.000 1.038 441 T CA -1.033 61.037 62.100 -0.049 0.000 1.007 441 T CB 1.356 70.200 68.868 -0.040 0.000 1.055 441 T HN 0.291 nan 8.240 nan 0.000 0.451 442 E N 2.847 123.018 120.200 -0.048 0.000 2.606 442 E HA 0.062 4.414 4.350 0.004 0.000 0.248 442 E C -0.029 176.538 176.600 -0.055 0.000 1.005 442 E CA 0.264 56.631 56.400 -0.054 0.000 0.946 442 E CB 0.360 30.039 29.700 -0.034 0.000 0.928 442 E HN 0.579 nan 8.360 nan 0.000 0.494 443 L N 4.032 125.216 121.223 -0.064 0.000 2.350 443 L HA 0.329 4.671 4.340 0.004 0.000 0.275 443 L C 0.835 177.665 176.870 -0.067 0.000 1.099 443 L CA -0.196 54.606 54.840 -0.064 0.000 0.808 443 L CB 0.761 42.790 42.059 -0.050 0.000 1.149 443 L HN 0.247 nan 8.230 nan 0.000 0.442 444 R N 3.046 123.501 120.500 -0.075 0.000 2.686 444 R HA 0.371 4.713 4.340 0.004 0.000 0.286 444 R C -2.528 173.718 176.300 -0.090 0.000 0.969 444 R CA -1.901 54.157 56.100 -0.069 0.000 0.898 444 R CB 1.731 32.002 30.300 -0.049 0.000 1.183 444 R HN 0.326 nan 8.270 nan 0.000 0.456 445 P HA 0.002 nan 4.420 nan 0.000 0.263 445 P C 0.157 177.411 177.300 -0.077 0.000 1.276 445 P CA 0.735 63.781 63.100 -0.091 0.000 0.986 445 P CB 0.641 32.317 31.700 -0.041 0.000 1.105 446 G N 3.442 112.181 108.800 -0.102 0.000 4.205 446 G HA2 -0.105 3.858 3.960 0.004 0.000 0.200 446 G HA3 -0.105 3.858 3.960 0.004 0.000 0.200 446 G C -0.009 174.840 174.900 -0.085 0.000 1.190 446 G CA -0.318 44.736 45.100 -0.076 0.000 0.861 446 G HN 0.550 nan 8.290 nan 0.000 0.326 447 E N 0.602 120.748 120.200 -0.089 0.000 2.397 447 E HA 0.554 4.906 4.350 0.004 0.000 0.254 447 E C -0.659 175.869 176.600 -0.121 0.000 1.231 447 E CA 0.107 56.455 56.400 -0.087 0.000 0.954 447 E CB 1.062 30.719 29.700 -0.073 0.000 1.024 447 E HN 0.061 nan 8.360 nan 0.000 0.481 448 T N 0.454 114.946 114.554 -0.104 0.000 2.876 448 T HA 0.400 4.752 4.350 0.004 0.000 0.289 448 T C -1.623 173.019 174.700 -0.097 0.000 1.014 448 T CA -0.816 61.214 62.100 -0.117 0.000 0.986 448 T CB 0.981 69.797 68.868 -0.088 0.000 1.021 448 T HN 0.375 nan 8.240 nan 0.000 0.458 449 L N 5.024 126.183 121.223 -0.105 0.000 2.298 449 L HA 0.596 4.938 4.340 0.004 0.000 0.284 449 L C -0.420 176.419 176.870 -0.052 0.000 1.013 449 L CA -0.501 54.298 54.840 -0.068 0.000 0.824 449 L CB 1.093 43.129 42.059 -0.040 0.000 1.221 449 L HN 0.516 nan 8.230 nan 0.000 0.418 450 N N 3.456 122.130 118.700 -0.045 0.000 2.475 450 N HA 0.246 4.988 4.740 0.004 0.000 0.267 450 N C -1.017 174.463 175.510 -0.050 0.000 1.169 450 N CA 0.014 53.044 53.050 -0.034 0.000 0.947 450 N CB 1.153 39.623 38.487 -0.029 0.000 1.061 450 N HN 0.361 nan 8.380 nan 0.000 0.466 451 V N 3.604 123.493 119.914 -0.042 0.000 2.357 451 V HA 0.303 4.425 4.120 0.004 0.000 0.284 451 V C 0.079 176.113 176.094 -0.101 0.000 1.018 451 V CA -0.950 61.278 62.300 -0.120 0.000 0.841 451 V CB 0.930 32.664 31.823 -0.148 0.000 0.991 451 V HN 0.562 nan 8.190 nan 0.000 0.437 452 N N 4.621 123.205 118.700 -0.192 0.000 2.426 452 N HA 0.462 5.204 4.740 0.004 0.000 0.275 452 N C -1.225 174.118 175.510 -0.277 0.000 1.019 452 N CA -0.248 52.740 53.050 -0.102 0.000 0.941 452 N CB 1.634 40.078 38.487 -0.072 0.000 1.123 452 N HN 0.480 nan 8.380 nan 0.000 0.486 453 F N 2.247 122.115 119.950 -0.137 0.000 2.308 453 F HA 0.259 4.789 4.527 0.004 0.000 0.370 453 F C 0.136 175.847 175.800 -0.148 0.000 1.100 453 F CA -0.933 56.912 58.000 -0.258 0.000 1.108 453 F CB 0.850 39.582 39.000 -0.446 0.000 1.293 453 F HN 0.246 nan 8.300 nan 0.000 0.478 454 L N 5.557 126.788 121.223 0.014 0.000 2.261 454 L HA 0.425 4.767 4.340 0.004 0.000 0.289 454 L C -0.766 176.172 176.870 0.113 0.000 1.059 454 L CA -0.658 54.231 54.840 0.083 0.000 0.816 454 L CB 0.644 42.764 42.059 0.100 0.000 1.191 454 L HN 0.513 nan 8.230 nan 0.000 0.431 455 L N 5.835 127.146 121.223 0.146 0.000 2.342 455 L HA 0.340 4.682 4.340 0.004 0.000 0.285 455 L C 0.349 177.302 176.870 0.138 0.000 1.095 455 L CA 0.401 55.334 54.840 0.156 0.000 0.843 455 L CB 0.094 42.227 42.059 0.124 0.000 1.201 455 L HN 0.679 nan 8.230 nan 0.000 0.445 456 R N 5.728 126.347 120.500 0.198 0.000 3.559 456 R HA 0.404 4.746 4.340 0.004 0.000 0.273 456 R C -0.819 175.622 176.300 0.235 0.000 1.423 456 R CA -0.125 56.100 56.100 0.209 0.000 1.581 456 R CB 0.128 30.576 30.300 0.247 0.000 1.338 456 R HN 0.770 nan 8.270 nan 0.000 0.667 457 M N 0.858 120.550 119.600 0.153 0.000 2.530 457 M HA 0.396 4.878 4.480 0.004 0.000 0.307 457 M C -1.401 174.959 176.300 0.100 0.000 1.161 457 M CA -0.646 54.733 55.300 0.132 0.000 0.903 457 M CB 2.087 34.740 32.600 0.088 0.000 1.711 457 M HN 0.125 nan 8.290 nan 0.000 0.451 458 D N 2.471 122.935 120.400 0.106 0.000 2.345 458 D HA 0.173 4.815 4.640 0.004 0.000 0.247 458 D C 0.889 177.239 176.300 0.083 0.000 1.108 458 D CA -0.041 54.015 54.000 0.093 0.000 0.894 458 D CB 1.029 41.888 40.800 0.098 0.000 1.203 458 D HN 0.609 nan 8.370 nan 0.000 0.430 459 R N 2.135 122.664 120.500 0.048 0.000 2.154 459 R HA -0.241 4.101 4.340 0.004 0.000 0.248 459 R C 1.634 177.923 176.300 -0.019 0.000 1.155 459 R CA 1.590 57.699 56.100 0.015 0.000 0.979 459 R CB -0.552 29.749 30.300 0.002 0.000 0.869 459 R HN 0.378 nan 8.270 nan 0.000 0.452 460 A N 1.078 123.874 122.820 -0.040 0.000 2.024 460 A HA -0.146 4.176 4.320 0.004 0.000 0.220 460 A C 1.250 178.578 177.584 -0.427 0.000 1.164 460 A CA 1.404 53.304 52.037 -0.228 0.000 0.643 460 A CB -0.505 18.329 19.000 -0.277 0.000 0.806 460 A HN 0.615 nan 8.150 nan 0.000 0.451 461 H N -1.838 117.224 119.070 -0.013 0.000 3.233 461 H HA 0.059 4.617 4.556 0.003 0.000 0.263 461 H C 1.607 176.909 175.328 -0.043 0.000 1.168 461 H CA 0.686 56.721 56.048 -0.023 0.000 1.159 461 H CB 0.240 29.994 29.762 -0.013 0.000 1.593 461 H HN 0.771 nan 8.280 nan 0.000 0.580 462 E N 1.887 122.113 120.200 0.043 0.000 2.160 462 E HA -0.129 4.223 4.350 0.004 0.000 0.195 462 E C 2.093 178.655 176.600 -0.063 0.000 0.991 462 E CA 1.311 57.697 56.400 -0.023 0.000 0.810 462 E CB -0.278 29.408 29.700 -0.024 0.000 0.742 462 E HN 0.239 nan 8.360 nan 0.000 0.466 463 A N 0.727 123.519 122.820 -0.047 0.000 2.178 463 A HA -0.150 4.172 4.320 0.004 0.000 0.218 463 A C 2.107 179.649 177.584 -0.069 0.000 1.157 463 A CA 1.497 53.499 52.037 -0.059 0.000 0.689 463 A CB -0.594 18.378 19.000 -0.047 0.000 0.787 463 A HN 0.257 nan 8.150 nan 0.000 0.465 464 K N -0.530 119.833 120.400 -0.062 0.000 2.305 464 K HA 0.056 4.378 4.320 0.004 0.000 0.199 464 K C -0.133 176.374 176.600 -0.155 0.000 1.047 464 K CA 0.138 56.382 56.287 -0.073 0.000 0.976 464 K CB 0.009 32.496 32.500 -0.022 0.000 0.765 464 K HN 0.330 nan 8.250 nan 0.000 0.474 465 I N 2.601 123.043 120.570 -0.213 0.000 2.363 465 I HA 0.038 4.210 4.170 0.004 0.000 0.292 465 I C 0.828 176.724 176.117 -0.369 0.000 1.075 465 I CA 0.518 61.602 61.300 -0.360 0.000 1.333 465 I CB 0.905 38.615 38.000 -0.482 0.000 1.415 465 I HN 0.139 nan 8.210 nan 0.000 0.502 466 R N 5.815 126.054 120.500 -0.436 0.000 2.476 466 R HA 0.185 4.527 4.340 0.004 0.000 0.276 466 R C -0.855 175.324 176.300 -0.202 0.000 0.941 466 R CA 0.110 56.050 56.100 -0.267 0.000 1.088 466 R CB 0.634 30.870 30.300 -0.107 0.000 1.216 466 R HN 0.694 nan 8.270 nan 0.000 0.533 467 Y N -2.753 117.357 120.300 -0.317 0.000 2.620 467 Y HA 0.458 5.012 4.550 0.006 0.000 0.331 467 Y C -1.621 174.016 175.900 -0.439 0.000 1.173 467 Y CA -2.175 55.717 58.100 -0.348 0.000 1.076 467 Y CB 0.119 38.490 38.460 -0.147 0.000 1.336 467 Y HN -0.208 nan 8.280 nan 0.000 0.459 468 Y N 0.615 120.985 120.300 0.118 0.000 2.341 468 Y HA 0.623 5.175 4.550 0.003 0.000 0.337 468 Y C 0.092 176.080 175.900 0.146 0.000 1.014 468 Y CA -1.213 56.953 58.100 0.110 0.000 1.111 468 Y CB 2.099 40.583 38.460 0.039 0.000 1.194 468 Y HN 0.659 nan 8.280 nan 0.000 0.462 469 T N 4.520 119.162 114.554 0.147 0.000 2.728 469 T HA 0.329 4.681 4.350 0.004 0.000 0.296 469 T C -0.862 173.973 174.700 0.225 0.000 0.940 469 T CA -0.480 61.645 62.100 0.042 0.000 1.013 469 T CB -0.543 68.203 68.868 -0.203 0.000 0.912 469 T HN 0.505 nan 8.240 nan 0.000 0.484 470 Y N 2.132 122.561 120.300 0.216 0.000 2.468 470 Y HA 0.835 5.389 4.550 0.005 0.000 0.342 470 Y C -1.589 174.461 175.900 0.249 0.000 1.021 470 Y CA -1.915 56.351 58.100 0.277 0.000 1.079 470 Y CB 0.890 39.564 38.460 0.356 0.000 1.226 470 Y HN 0.349 nan 8.280 nan 0.000 0.460 471 L N 4.460 125.900 121.223 0.361 0.000 2.422 471 L HA 0.562 4.904 4.340 0.004 0.000 0.264 471 L C -0.928 176.123 176.870 0.302 0.000 0.984 471 L CA -0.692 54.300 54.840 0.253 0.000 0.819 471 L CB 2.400 44.620 42.059 0.268 0.000 1.330 471 L HN 0.686 nan 8.230 nan 0.000 0.410 472 I N 3.320 124.034 120.570 0.239 0.000 2.382 472 I HA 0.408 4.580 4.170 0.004 0.000 0.286 472 I C -0.671 175.525 176.117 0.132 0.000 1.002 472 I CA -0.468 60.971 61.300 0.230 0.000 1.135 472 I CB 1.547 39.655 38.000 0.180 0.000 1.288 472 I HN 0.429 nan 8.210 nan 0.000 0.448 473 M N 6.283 125.984 119.600 0.169 0.000 2.209 473 M HA 0.337 4.819 4.480 0.004 0.000 0.355 473 M C -0.444 175.934 176.300 0.130 0.000 1.171 473 M CA 0.017 55.396 55.300 0.131 0.000 1.069 473 M CB 1.092 33.783 32.600 0.151 0.000 1.622 473 M HN 0.557 nan 8.290 nan 0.000 0.459 474 N N 2.151 120.893 118.700 0.069 0.000 2.369 474 N HA 0.174 4.916 4.740 0.004 0.000 0.287 474 N C -0.744 174.824 175.510 0.096 0.000 1.067 474 N CA -0.166 52.924 53.050 0.068 0.000 0.888 474 N CB 1.613 40.052 38.487 -0.080 0.000 1.616 474 N HN 0.616 nan 8.380 nan 0.000 0.482 475 K N 2.080 122.573 120.400 0.154 0.000 3.160 475 K HA -0.189 4.133 4.320 0.004 0.000 0.280 475 K C 0.625 177.328 176.600 0.173 0.000 1.154 475 K CA 1.271 57.685 56.287 0.211 0.000 0.822 475 K CB -1.536 31.101 32.500 0.229 0.000 1.239 475 K HN 1.044 nan 8.250 nan 0.000 0.489 476 G N -0.587 108.290 108.800 0.128 0.000 2.143 476 G HA2 -0.371 3.591 3.960 0.004 0.000 0.248 476 G HA3 -0.371 3.591 3.960 0.004 0.000 0.248 476 G C -0.150 174.759 174.900 0.015 0.000 0.991 476 G CA 0.906 46.046 45.100 0.066 0.000 0.689 476 G HN 0.683 nan 8.290 nan 0.000 0.522 477 R N -1.631 118.889 120.500 0.033 0.000 2.795 477 R HA 0.777 5.119 4.340 0.004 0.000 0.268 477 R C -0.559 175.757 176.300 0.026 0.000 1.041 477 R CA -1.333 54.772 56.100 0.008 0.000 0.927 477 R CB 0.415 30.704 30.300 -0.020 0.000 1.235 477 R HN 0.173 nan 8.270 nan 0.000 0.463 478 L N 2.536 123.770 121.223 0.019 0.000 2.407 478 L HA 0.171 4.513 4.340 0.004 0.000 0.282 478 L C 0.554 177.427 176.870 0.003 0.000 1.110 478 L CA -0.326 54.534 54.840 0.034 0.000 0.863 478 L CB 0.876 42.964 42.059 0.048 0.000 1.207 478 L HN 0.650 nan 8.230 nan 0.000 0.454 479 L N 4.293 125.505 121.223 -0.019 0.000 2.102 479 L HA 0.156 4.498 4.340 0.004 0.000 0.202 479 L C 0.551 177.393 176.870 -0.047 0.000 1.076 479 L CA 1.510 56.306 54.840 -0.074 0.000 0.761 479 L CB -0.075 41.858 42.059 -0.210 0.000 0.921 479 L HN 0.524 nan 8.230 nan 0.000 0.444 480 K N -0.892 119.499 120.400 -0.015 0.000 2.546 480 K HA 0.653 4.975 4.320 0.004 0.000 0.264 480 K C -1.948 174.662 176.600 0.016 0.000 0.937 480 K CA -0.279 56.017 56.287 0.016 0.000 0.833 480 K CB 1.849 34.384 32.500 0.058 0.000 1.378 480 K HN 0.057 nan 8.250 nan 0.000 0.432 481 A N 1.756 124.547 122.820 -0.050 0.000 2.393 481 A HA 0.860 5.182 4.320 0.004 0.000 0.306 481 A C -0.656 176.735 177.584 -0.322 0.000 1.050 481 A CA -0.177 51.760 52.037 -0.166 0.000 0.724 481 A CB 1.799 20.780 19.000 -0.032 0.000 1.248 481 A HN 0.825 nan 8.150 nan 0.000 0.424 482 G N 0.838 109.180 108.800 -0.764 0.000 3.058 482 G HA2 0.698 4.660 3.960 0.004 0.000 0.282 482 G HA3 0.698 4.660 3.960 0.004 0.000 0.282 482 G C -1.431 173.190 174.900 -0.465 0.000 1.248 482 G CA -0.640 44.100 45.100 -0.599 0.000 0.822 482 G HN 0.580 nan 8.290 nan 0.000 0.579 483 R N 0.308 120.755 120.500 -0.088 0.000 2.515 483 R HA 0.358 4.700 4.340 0.004 0.000 0.291 483 R C -1.380 175.050 176.300 0.216 0.000 1.046 483 R CA -0.784 55.358 56.100 0.071 0.000 0.914 483 R CB 1.863 32.123 30.300 -0.067 0.000 1.191 483 R HN 0.544 nan 8.270 nan 0.000 0.435 484 Q N 2.998 122.929 119.800 0.219 0.000 2.406 484 Q HA 0.211 4.553 4.340 0.004 0.000 0.242 484 Q C -0.043 175.928 176.000 -0.048 0.000 1.036 484 Q CA -0.469 55.328 55.803 -0.010 0.000 0.904 484 Q CB 0.772 29.259 28.738 -0.418 0.000 1.244 484 Q HN 0.495 nan 8.270 nan 0.000 0.478 485 V N 2.149 122.047 119.914 -0.026 0.000 2.963 485 V HA 0.525 4.647 4.120 0.004 0.000 0.306 485 V C -0.100 175.928 176.094 -0.111 0.000 1.077 485 V CA -0.536 61.742 62.300 -0.037 0.000 1.124 485 V CB 1.128 32.946 31.823 -0.008 0.000 0.987 485 V HN 0.846 nan 8.190 nan 0.000 0.487 486 R N 1.562 121.968 120.500 -0.157 0.000 2.725 486 R HA 0.562 4.905 4.340 0.004 0.000 0.277 486 R C -1.139 175.084 176.300 -0.129 0.000 0.987 486 R CA -0.614 55.372 56.100 -0.190 0.000 0.901 486 R CB 2.318 32.366 30.300 -0.421 0.000 1.207 486 R HN 0.994 nan 8.270 nan 0.000 0.463 487 E N 3.212 123.359 120.200 -0.088 0.000 2.266 487 E HA 0.341 4.693 4.350 0.004 0.000 0.268 487 E C -2.559 174.006 176.600 -0.059 0.000 0.879 487 E CA -2.289 54.073 56.400 -0.063 0.000 0.762 487 E CB 2.379 32.057 29.700 -0.037 0.000 1.199 487 E HN 0.388 nan 8.360 nan 0.000 0.422 488 P HA -0.107 nan 4.420 nan 0.000 0.261 488 P C 0.716 177.996 177.300 -0.033 0.000 1.165 488 P CA 1.403 64.472 63.100 -0.050 0.000 0.759 488 P CB 0.264 31.939 31.700 -0.042 0.000 0.772 489 G N 2.363 111.146 108.800 -0.029 0.000 2.258 489 G HA2 -0.266 3.697 3.960 0.004 0.000 0.233 489 G HA3 -0.266 3.697 3.960 0.004 0.000 0.233 489 G C 0.207 175.106 174.900 -0.002 0.000 1.006 489 G CA -0.418 44.674 45.100 -0.013 0.000 0.620 489 G HN 0.581 nan 8.290 nan 0.000 0.511 490 Q N 1.206 121.004 119.800 -0.004 0.000 2.337 490 Q HA 0.274 4.616 4.340 0.004 0.000 0.255 490 Q C 0.459 176.485 176.000 0.042 0.000 1.205 490 Q CA -0.030 55.784 55.803 0.018 0.000 0.902 490 Q CB 0.439 29.186 28.738 0.014 0.000 1.433 490 Q HN 0.382 nan 8.270 nan 0.000 0.471 491 D N 1.197 121.625 120.400 0.047 0.000 2.224 491 D HA 0.008 4.650 4.640 0.004 0.000 0.205 491 D C 0.032 176.390 176.300 0.097 0.000 0.965 491 D CA 0.965 55.004 54.000 0.066 0.000 0.852 491 D CB 0.511 41.341 40.800 0.050 0.000 0.947 491 D HN 0.330 nan 8.370 nan 0.000 0.494 492 L N 0.672 121.950 121.223 0.092 0.000 2.436 492 L HA 0.424 4.766 4.340 0.004 0.000 0.268 492 L C -1.473 175.467 176.870 0.117 0.000 0.974 492 L CA -0.837 54.068 54.840 0.109 0.000 0.826 492 L CB 2.134 44.239 42.059 0.076 0.000 1.291 492 L HN -0.209 nan 8.230 nan 0.000 0.406 493 V N 2.582 122.597 119.914 0.169 0.000 2.789 493 V HA 0.676 4.798 4.120 0.004 0.000 0.311 493 V C -0.581 175.631 176.094 0.198 0.000 1.073 493 V CA -0.800 61.589 62.300 0.147 0.000 0.921 493 V CB 1.727 33.626 31.823 0.126 0.000 1.009 493 V HN 0.499 nan 8.190 nan 0.000 0.426 494 V N 2.738 122.731 119.914 0.132 0.000 2.398 494 V HA 0.758 4.880 4.120 0.004 0.000 0.286 494 V C -0.378 175.784 176.094 0.113 0.000 1.026 494 V CA -0.637 61.744 62.300 0.135 0.000 0.868 494 V CB 1.244 33.105 31.823 0.064 0.000 0.982 494 V HN 1.093 nan 8.190 nan 0.000 0.443 495 L N 8.284 129.608 121.223 0.167 0.000 2.261 495 L HA 0.662 5.004 4.340 0.004 0.000 0.289 495 L C -2.430 174.458 176.870 0.029 0.000 1.059 495 L CA -2.090 52.797 54.840 0.080 0.000 0.816 495 L CB 0.914 43.027 42.059 0.090 0.000 1.191 495 L HN 0.539 nan 8.230 nan 0.000 0.431 496 P HA 0.169 nan 4.420 nan 0.000 0.273 496 P C -0.952 176.331 177.300 -0.028 0.000 1.428 496 P CA -0.325 62.767 63.100 -0.012 0.000 0.995 496 P CB 0.563 32.257 31.700 -0.010 0.000 1.286 497 L N 3.878 125.073 121.223 -0.048 0.000 2.265 497 L HA 0.408 4.750 4.340 0.004 0.000 0.288 497 L C 0.226 177.005 176.870 -0.153 0.000 1.058 497 L CA -0.140 54.657 54.840 -0.072 0.000 0.809 497 L CB 0.685 42.712 42.059 -0.053 0.000 1.179 497 L HN 0.270 nan 8.230 nan 0.000 0.429 498 S N 5.862 121.458 115.700 -0.174 0.000 2.554 498 S HA 0.629 5.101 4.470 0.004 0.000 0.278 498 S C -0.159 174.140 174.600 -0.502 0.000 1.242 498 S CA -0.916 57.139 58.200 -0.240 0.000 1.051 498 S CB 0.986 64.102 63.200 -0.139 0.000 0.986 498 S HN 0.452 nan 8.310 nan 0.000 0.502 499 I N 3.669 123.921 120.570 -0.529 0.000 2.365 499 I HA 0.412 4.584 4.170 0.004 0.000 0.291 499 I C 1.001 176.859 176.117 -0.433 0.000 1.004 499 I CA -0.102 60.724 61.300 -0.790 0.000 1.311 499 I CB 0.615 38.295 38.000 -0.533 0.000 1.401 499 I HN 1.017 nan 8.210 nan 0.000 0.491 500 T N 0.218 114.572 114.554 -0.334 0.000 2.888 500 T HA 0.338 4.690 4.350 0.004 0.000 0.288 500 T C 1.148 175.901 174.700 0.088 0.000 1.063 500 T CA -0.032 62.054 62.100 -0.023 0.000 1.010 500 T CB 1.524 70.442 68.868 0.082 0.000 1.214 500 T HN 0.659 nan 8.240 nan 0.000 0.533 501 T N -1.741 112.859 114.554 0.076 0.000 2.977 501 T HA -0.065 4.287 4.350 0.004 0.000 0.271 501 T C 0.971 175.737 174.700 0.110 0.000 1.105 501 T CA 1.410 63.557 62.100 0.079 0.000 1.116 501 T CB -0.832 68.080 68.868 0.073 0.000 0.878 501 T HN 0.628 nan 8.240 nan 0.000 0.509 502 D N 0.830 121.315 120.400 0.141 0.000 2.263 502 D HA 0.029 4.671 4.640 0.004 0.000 0.208 502 D C 1.161 177.457 176.300 -0.007 0.000 0.971 502 D CA 0.694 54.740 54.000 0.076 0.000 0.867 502 D CB -0.568 40.255 40.800 0.038 0.000 0.929 502 D HN 0.538 nan 8.370 nan 0.000 0.492 503 F N 0.414 120.290 119.950 -0.124 0.000 2.748 503 F HA 0.145 4.674 4.527 0.003 0.000 0.299 503 F C 0.952 176.675 175.800 -0.128 0.000 1.154 503 F CA -0.119 57.765 58.000 -0.194 0.000 1.446 503 F CB -0.027 38.735 39.000 -0.398 0.000 1.112 503 F HN -0.155 nan 8.300 nan 0.000 0.584 504 I N 2.898 123.456 120.570 -0.019 0.000 2.529 504 I HA 0.025 4.197 4.170 0.004 0.000 0.284 504 I C -1.180 174.712 176.117 -0.375 0.000 1.082 504 I CA -1.469 59.672 61.300 -0.265 0.000 1.406 504 I CB 0.800 38.593 38.000 -0.345 0.000 1.405 504 I HN -0.172 nan 8.210 nan 0.000 0.548 505 P HA 0.005 nan 4.420 nan 0.000 0.226 505 P C -0.005 177.187 177.300 -0.179 0.000 1.161 505 P CA 0.637 63.400 63.100 -0.561 0.000 0.804 505 P CB 0.465 31.846 31.700 -0.532 0.000 0.829 506 S N -1.015 114.680 115.700 -0.008 0.000 2.672 506 S HA 0.718 5.190 4.470 0.004 0.000 0.271 506 S C -1.220 173.517 174.600 0.228 0.000 1.171 506 S CA -0.781 57.452 58.200 0.054 0.000 0.817 506 S CB 1.255 64.466 63.200 0.020 0.000 1.150 506 S HN 0.121 nan 8.310 nan 0.000 0.478 507 F N -1.492 118.374 119.950 -0.141 0.000 2.713 507 F HA 0.849 5.379 4.527 0.004 0.000 0.311 507 F C -1.421 174.370 175.800 -0.016 0.000 1.141 507 F CA -1.195 56.785 58.000 -0.032 0.000 0.939 507 F CB 1.104 40.086 39.000 -0.031 0.000 1.325 507 F HN 0.745 nan 8.300 nan 0.000 0.453 508 R N 1.947 122.501 120.500 0.089 0.000 2.534 508 R HA 0.622 4.964 4.340 0.004 0.000 0.301 508 R C -1.773 174.617 176.300 0.150 0.000 0.961 508 R CA -1.019 55.103 56.100 0.038 0.000 0.871 508 R CB 2.163 32.560 30.300 0.163 0.000 1.170 508 R HN 0.691 nan 8.270 nan 0.000 0.446 509 L N 4.916 126.183 121.223 0.073 0.000 2.262 509 L HA 0.444 4.786 4.340 0.004 0.000 0.288 509 L C -1.093 175.833 176.870 0.093 0.000 1.035 509 L CA -0.464 54.477 54.840 0.169 0.000 0.820 509 L CB 1.536 43.672 42.059 0.129 0.000 1.204 509 L HN 0.393 nan 8.230 nan 0.000 0.424 510 V N 4.966 124.970 119.914 0.150 0.000 2.417 510 V HA 0.843 4.965 4.120 0.004 0.000 0.291 510 V C 0.250 176.451 176.094 0.178 0.000 1.024 510 V CA -0.507 61.837 62.300 0.073 0.000 0.861 510 V CB 1.342 33.178 31.823 0.021 0.000 0.985 510 V HN 0.939 nan 8.190 nan 0.000 0.436 511 A N 4.776 127.675 122.820 0.131 0.000 2.515 511 A HA 1.036 5.358 4.320 0.004 0.000 0.296 511 A C -1.392 176.354 177.584 0.271 0.000 1.094 511 A CA -0.600 51.616 52.037 0.298 0.000 0.718 511 A CB 2.101 21.358 19.000 0.429 0.000 1.307 511 A HN 1.362 nan 8.150 nan 0.000 0.408 512 Y N -1.300 119.159 120.300 0.266 0.000 2.656 512 Y HA 0.761 5.313 4.550 0.003 0.000 0.334 512 Y C -1.269 174.854 175.900 0.372 0.000 1.179 512 Y CA -1.483 56.725 58.100 0.180 0.000 1.050 512 Y CB 0.732 39.251 38.460 0.098 0.000 1.308 512 Y HN 1.218 nan 8.280 nan 0.000 0.456 513 Y N -0.954 119.555 120.300 0.348 0.000 2.665 513 Y HA 0.900 5.452 4.550 0.003 0.000 0.336 513 Y C -1.143 174.874 175.900 0.195 0.000 1.085 513 Y CA -1.156 57.053 58.100 0.182 0.000 1.096 513 Y CB 1.855 40.408 38.460 0.156 0.000 1.301 513 Y HN 0.940 nan 8.280 nan 0.000 0.493 514 T N 2.438 117.153 114.554 0.269 0.000 2.932 514 T HA 0.740 5.092 4.350 0.004 0.000 0.318 514 T C -1.590 173.133 174.700 0.038 0.000 1.265 514 T CA -0.392 61.751 62.100 0.071 0.000 1.036 514 T CB 0.992 69.819 68.868 -0.069 0.000 1.209 514 T HN 1.248 nan 8.240 nan 0.000 0.484 515 L N 1.708 122.931 121.223 0.000 0.000 3.064 515 L HA 0.884 5.226 4.340 0.004 0.000 0.282 515 L C -2.066 174.775 176.870 -0.048 0.000 1.045 515 L CA -1.409 53.422 54.840 -0.015 0.000 0.986 515 L CB 1.391 43.464 42.059 0.023 0.000 1.571 515 L HN 0.702 nan 8.230 nan 0.000 0.377 516 I N -1.675 118.864 120.570 -0.051 0.000 2.545 516 I HA 1.015 5.187 4.170 0.004 0.000 0.292 516 I C 0.090 176.124 176.117 -0.139 0.000 1.040 516 I CA 0.593 61.844 61.300 -0.081 0.000 1.068 516 I CB 1.843 39.810 38.000 -0.055 0.000 1.251 516 I HN 0.924 nan 8.210 nan 0.000 0.424 517 G N 3.570 112.197 108.800 -0.288 0.000 4.335 517 G HA2 0.306 4.269 3.960 0.004 0.000 0.188 517 G HA3 0.306 4.269 3.960 0.004 0.000 0.188 517 G C 0.223 174.705 174.900 -0.695 0.000 1.061 517 G CA 0.154 44.764 45.100 -0.816 0.000 1.014 517 G HN 1.000 nan 8.290 nan 0.000 0.340 518 A N 1.955 124.517 122.820 -0.430 0.000 2.785 518 A HA 0.641 4.963 4.320 0.004 0.000 0.294 518 A C 1.110 178.619 177.584 -0.125 0.000 1.597 518 A CA 1.290 53.208 52.037 -0.199 0.000 1.283 518 A CB -1.567 17.359 19.000 -0.123 0.000 1.088 518 A HN 2.422 nan 8.150 nan 0.000 0.568 519 S N 0.623 116.269 115.700 -0.090 0.000 3.845 519 S HA -0.073 4.399 4.470 0.004 0.000 0.641 519 S C 0.634 175.196 174.600 -0.063 0.000 1.900 519 S CA 0.125 58.292 58.200 -0.054 0.000 2.062 519 S CB -1.410 61.764 63.200 -0.042 0.000 0.327 519 S HN 2.164 nan 8.310 nan 0.000 1.788 520 G N 0.583 109.360 108.800 -0.040 0.000 3.471 520 G HA2 0.426 4.388 3.960 0.004 0.000 0.254 520 G HA3 0.426 4.388 3.960 0.004 0.000 0.254 520 G C -0.111 174.763 174.900 -0.044 0.000 1.199 520 G CA 0.004 45.083 45.100 -0.036 0.000 1.683 520 G HN 0.697 nan 8.290 nan 0.000 0.625 521 Q N 0.142 119.905 119.800 -0.062 0.000 2.307 521 Q HA 0.437 4.779 4.340 0.004 0.000 0.262 521 Q C 0.111 176.066 176.000 -0.074 0.000 0.961 521 Q CA -0.919 54.846 55.803 -0.063 0.000 0.882 521 Q CB 1.416 30.113 28.738 -0.069 0.000 1.264 521 Q HN 0.279 nan 8.270 nan 0.000 0.446 522 R N 2.338 122.796 120.500 -0.069 0.000 2.357 522 R HA 0.092 4.434 4.340 0.004 0.000 0.330 522 R C -0.678 175.552 176.300 -0.116 0.000 1.102 522 R CA 0.294 56.344 56.100 -0.084 0.000 0.974 522 R CB -0.209 30.047 30.300 -0.073 0.000 1.002 522 R HN 0.570 nan 8.270 nan 0.000 0.463 523 E N 2.708 122.831 120.200 -0.129 0.000 2.231 523 E HA 0.375 4.727 4.350 0.004 0.000 0.277 523 E C -1.126 175.319 176.600 -0.259 0.000 0.999 523 E CA -0.862 55.433 56.400 -0.175 0.000 0.827 523 E CB 1.234 30.862 29.700 -0.119 0.000 1.101 523 E HN 0.334 nan 8.360 nan 0.000 0.393 524 V N 4.447 124.084 119.914 -0.461 0.000 2.531 524 V HA 0.357 4.479 4.120 0.004 0.000 0.301 524 V C -0.649 175.116 176.094 -0.547 0.000 1.034 524 V CA -0.782 61.158 62.300 -0.599 0.000 0.865 524 V CB 1.860 33.095 31.823 -0.980 0.000 0.995 524 V HN 0.462 nan 8.190 nan 0.000 0.424 525 V N 3.571 123.182 119.914 -0.504 0.000 2.540 525 V HA 0.964 5.086 4.120 0.004 0.000 0.302 525 V C 0.101 176.020 176.094 -0.292 0.000 1.035 525 V CA -0.260 61.780 62.300 -0.434 0.000 0.873 525 V CB 1.687 32.987 31.823 -0.871 0.000 0.992 525 V HN 1.084 nan 8.190 nan 0.000 0.428 526 A N 3.334 126.107 122.820 -0.079 0.000 2.566 526 A HA 0.933 5.255 4.320 0.004 0.000 0.292 526 A C -1.651 175.846 177.584 -0.146 0.000 1.112 526 A CA -0.482 51.511 52.037 -0.074 0.000 0.707 526 A CB 2.260 21.168 19.000 -0.152 0.000 1.302 526 A HN 0.747 nan 8.150 nan 0.000 0.409 527 D N -0.914 119.394 120.400 -0.154 0.000 2.655 527 D HA 0.643 5.285 4.640 0.004 0.000 0.229 527 D C -0.616 175.594 176.300 -0.150 0.000 1.229 527 D CA 0.430 54.330 54.000 -0.166 0.000 0.807 527 D CB 2.110 42.799 40.800 -0.184 0.000 1.514 527 D HN 0.829 nan 8.370 nan 0.000 0.444 528 S N 0.297 115.931 115.700 -0.111 0.000 2.634 528 S HA 0.867 5.339 4.470 0.004 0.000 0.296 528 S C -1.249 173.317 174.600 -0.055 0.000 1.104 528 S CA -0.794 57.363 58.200 -0.072 0.000 0.920 528 S CB 1.895 65.073 63.200 -0.037 0.000 1.111 528 S HN 0.662 nan 8.310 nan 0.000 0.493 529 V N 1.307 121.195 119.914 -0.043 0.000 2.852 529 V HA 0.588 4.710 4.120 0.004 0.000 0.300 529 V C -2.164 173.908 176.094 -0.036 0.000 1.205 529 V CA -0.593 61.679 62.300 -0.046 0.000 0.940 529 V CB 1.635 33.371 31.823 -0.145 0.000 1.047 529 V HN 1.063 nan 8.190 nan 0.000 0.429 530 W N 6.912 128.109 121.300 -0.172 0.000 2.351 530 W HA 0.754 5.416 4.660 0.003 0.000 0.311 530 W C -1.211 175.115 176.519 -0.322 0.000 1.168 530 W CA -0.317 56.889 57.345 -0.231 0.000 1.200 530 W CB 1.583 30.965 29.460 -0.130 0.000 1.221 530 W HN 0.509 nan 8.180 nan 0.000 0.519 531 V N 6.452 125.578 119.914 -1.313 0.000 2.577 531 V HA 0.146 4.268 4.120 0.004 0.000 0.303 531 V C -0.710 174.534 176.094 -1.417 0.000 1.042 531 V CA -0.829 60.707 62.300 -1.274 0.000 0.872 531 V CB 1.623 32.799 31.823 -1.078 0.000 0.998 531 V HN 0.505 nan 8.190 nan 0.000 0.423 532 D N 2.923 122.615 120.400 -1.181 0.000 2.255 532 D HA 0.597 5.239 4.640 0.004 0.000 0.249 532 D C -0.573 175.546 176.300 -0.302 0.000 1.078 532 D CA 0.119 53.661 54.000 -0.762 0.000 0.896 532 D CB 1.848 42.290 40.800 -0.596 0.000 1.194 532 D HN 0.273 nan 8.370 nan 0.000 0.429 533 V N 2.484 122.300 119.914 -0.162 0.000 2.919 533 V HA 0.330 4.452 4.120 0.004 0.000 0.316 533 V C -0.073 175.950 176.094 -0.119 0.000 1.077 533 V CA -1.155 61.093 62.300 -0.087 0.000 0.977 533 V CB 1.842 33.654 31.823 -0.019 0.000 1.039 533 V HN 0.490 nan 8.190 nan 0.000 0.441 534 K N 1.720 122.062 120.400 -0.097 0.000 2.436 534 K HA 0.053 4.376 4.320 0.004 0.000 0.282 534 K C -0.170 176.345 176.600 -0.142 0.000 1.044 534 K CA 0.292 56.526 56.287 -0.088 0.000 1.028 534 K CB -0.027 32.441 32.500 -0.054 0.000 0.919 534 K HN 0.545 nan 8.250 nan 0.000 0.474 535 D N 2.819 123.125 120.400 -0.157 0.000 2.934 535 D HA 0.000 4.642 4.640 0.004 0.000 0.237 535 D C -0.035 176.235 176.300 -0.050 0.000 1.158 535 D CA 0.163 53.982 54.000 -0.302 0.000 0.971 535 D CB -0.326 40.329 40.800 -0.243 0.000 1.123 535 D HN 0.560 nan 8.370 nan 0.000 0.467 536 S N -1.247 114.451 115.700 -0.004 0.000 2.640 536 S HA 0.240 4.712 4.470 0.004 0.000 0.262 536 S C 0.757 175.539 174.600 0.305 0.000 1.232 536 S CA -0.810 57.465 58.200 0.125 0.000 0.988 536 S CB 0.870 64.106 63.200 0.060 0.000 1.034 536 S HN 0.274 nan 8.310 nan 0.000 0.569 537 C N 0.692 120.130 119.300 0.230 0.000 2.700 537 C HA 0.224 4.686 4.460 0.004 0.000 0.397 537 C C 2.311 177.429 174.990 0.215 0.000 1.301 537 C CA -0.451 58.703 59.018 0.226 0.000 2.219 537 C CB 0.045 27.837 27.740 0.085 0.000 2.699 537 C HN 0.749 nan 8.230 nan 0.000 0.669 538 V N 2.822 122.873 119.914 0.229 0.000 2.244 538 V HA 0.009 4.131 4.120 0.004 0.000 0.244 538 V C 1.783 177.934 176.094 0.096 0.000 1.042 538 V CA 2.403 64.804 62.300 0.168 0.000 1.006 538 V CB -1.268 30.656 31.823 0.168 0.000 0.641 538 V HN 1.087 nan 8.190 nan 0.000 0.446 539 G N -0.560 108.281 108.800 0.069 0.000 2.928 539 G HA2 0.444 4.406 3.960 0.004 0.000 0.163 539 G HA3 0.444 4.406 3.960 0.004 0.000 0.163 539 G C -0.139 174.784 174.900 0.038 0.000 1.573 539 G CA 0.613 45.739 45.100 0.045 0.000 1.084 539 G HN 0.765 nan 8.290 nan 0.000 0.569 540 S N -2.008 113.706 115.700 0.023 0.000 2.547 540 S HA 0.600 5.072 4.470 0.004 0.000 0.270 540 S C -1.764 172.838 174.600 0.003 0.000 1.150 540 S CA -0.680 57.530 58.200 0.016 0.000 0.850 540 S CB 1.965 65.177 63.200 0.020 0.000 1.118 540 S HN 1.160 nan 8.310 nan 0.000 0.461 541 L N 1.683 122.903 121.223 -0.004 0.000 2.516 541 L HA 0.856 5.199 4.340 0.004 0.000 0.267 541 L C -1.829 175.038 176.870 -0.006 0.000 0.957 541 L CA -0.303 54.530 54.840 -0.011 0.000 0.860 541 L CB 1.770 43.811 42.059 -0.030 0.000 1.265 541 L HN 0.816 nan 8.230 nan 0.000 0.403 542 V N 5.299 125.213 119.914 -0.000 0.000 2.733 542 V HA 0.621 4.744 4.120 0.004 0.000 0.306 542 V C -0.934 175.164 176.094 0.006 0.000 1.084 542 V CA -0.623 61.679 62.300 0.004 0.000 0.905 542 V CB 2.515 34.343 31.823 0.007 0.000 1.010 542 V HN 0.480 nan 8.190 nan 0.000 0.424 543 V N 6.070 125.989 119.914 0.008 0.000 2.459 543 V HA 0.701 4.823 4.120 0.004 0.000 0.295 543 V C -0.151 175.951 176.094 0.013 0.000 1.029 543 V CA -0.556 61.751 62.300 0.011 0.000 0.874 543 V CB 1.646 33.477 31.823 0.014 0.000 0.985 543 V HN 1.026 nan 8.190 nan 0.000 0.438 544 K N 1.859 122.268 120.400 0.014 0.000 2.507 544 K HA 0.683 5.005 4.320 0.004 0.000 0.284 544 K C -0.780 175.828 176.600 0.014 0.000 1.038 544 K CA -0.723 55.573 56.287 0.015 0.000 0.903 544 K CB 1.774 34.282 32.500 0.013 0.000 1.531 544 K HN 0.352 nan 8.250 nan 0.000 0.430 545 S N -0.921 114.788 115.700 0.015 0.000 2.523 545 S HA 0.341 4.813 4.470 0.004 0.000 0.275 545 S C 0.754 175.362 174.600 0.012 0.000 1.281 545 S CA -0.134 58.075 58.200 0.014 0.000 1.050 545 S CB 0.488 63.697 63.200 0.015 0.000 0.937 545 S HN 0.721 nan 8.310 nan 0.000 0.492 546 G N 2.555 111.362 108.800 0.011 0.000 2.887 546 G HA2 0.028 3.991 3.960 0.004 0.000 0.211 546 G HA3 0.028 3.991 3.960 0.004 0.000 0.211 546 G C 0.635 175.541 174.900 0.009 0.000 1.152 546 G CA -0.135 44.970 45.100 0.010 0.000 0.769 546 G HN 0.647 nan 8.290 nan 0.000 0.541 547 Q N 2.097 121.902 119.800 0.009 0.000 3.151 547 Q HA 0.231 4.573 4.340 0.004 0.000 0.277 547 Q C 1.339 177.343 176.000 0.008 0.000 1.343 547 Q CA 0.456 56.264 55.803 0.008 0.000 0.925 547 Q CB -1.082 27.661 28.738 0.008 0.000 1.771 547 Q HN 0.402 nan 8.270 nan 0.000 0.514 548 S N 0.765 116.470 115.700 0.007 0.000 3.260 548 S HA -0.372 4.100 4.470 0.004 0.000 0.398 548 S C 0.594 175.199 174.600 0.008 0.000 0.995 548 S CA 0.894 59.098 58.200 0.007 0.000 1.149 548 S CB -1.667 61.536 63.200 0.006 0.000 0.883 548 S HN 0.843 nan 8.310 nan 0.000 0.469 549 E N 0.895 121.101 120.200 0.009 0.000 3.821 549 E HA -0.349 4.003 4.350 0.004 0.000 0.359 549 E C 0.202 176.809 176.600 0.011 0.000 1.621 549 E CA 1.536 57.943 56.400 0.011 0.000 2.170 549 E CB -1.578 28.130 29.700 0.012 0.000 1.823 549 E HN 0.901 nan 8.360 nan 0.000 0.390 550 D N 1.383 121.790 120.400 0.012 0.000 3.126 550 D HA -0.260 4.383 4.640 0.004 0.000 0.197 550 D C 0.867 177.173 176.300 0.010 0.000 1.254 550 D CA 1.919 55.926 54.000 0.012 0.000 0.785 550 D CB -0.494 40.313 40.800 0.010 0.000 0.861 550 D HN 0.603 nan 8.370 nan 0.000 0.392 551 R N 1.036 121.542 120.500 0.010 0.000 3.359 551 R HA 0.125 4.467 4.340 0.004 0.000 0.098 551 R C -0.081 176.223 176.300 0.007 0.000 0.779 551 R CA -0.016 56.088 56.100 0.007 0.000 1.967 551 R CB 0.038 30.341 30.300 0.005 0.000 1.617 551 R HN 0.165 nan 8.270 nan 0.000 0.469 552 Q N 2.202 122.008 119.800 0.011 0.000 2.238 552 Q HA -0.034 4.309 4.340 0.004 0.000 0.293 552 Q C -2.481 173.522 176.000 0.005 0.000 1.068 552 Q CA 0.061 55.871 55.803 0.012 0.000 0.653 552 Q CB -0.187 28.558 28.738 0.012 0.000 0.781 552 Q HN 0.461 nan 8.270 nan 0.000 0.319 553 P HA 0.398 nan 4.420 nan 0.000 0.277 553 P C -0.715 176.582 177.300 -0.004 0.000 1.276 553 P CA -0.518 62.583 63.100 0.002 0.000 0.788 553 P CB 0.812 32.516 31.700 0.006 0.000 1.114 554 V N 0.317 120.225 119.914 -0.009 0.000 2.914 554 V HA 0.346 4.468 4.120 0.004 0.000 0.314 554 V C -2.279 173.807 176.094 -0.014 0.000 1.084 554 V CA -2.111 60.178 62.300 -0.017 0.000 0.963 554 V CB 1.620 33.431 31.823 -0.021 0.000 1.025 554 V HN 0.537 nan 8.190 nan 0.000 0.432 555 P HA 0.212 nan 4.420 nan 0.000 0.264 555 P C 0.845 178.138 177.300 -0.012 0.000 1.183 555 P CA 1.576 64.668 63.100 -0.014 0.000 0.763 555 P CB 0.412 32.100 31.700 -0.020 0.000 0.807 556 G N 1.102 109.897 108.800 -0.009 0.000 2.267 556 G HA2 -0.306 3.656 3.960 0.004 0.000 0.257 556 G HA3 -0.306 3.656 3.960 0.004 0.000 0.257 556 G C 0.360 175.257 174.900 -0.006 0.000 0.998 556 G CA 0.133 45.228 45.100 -0.008 0.000 0.620 556 G HN 0.696 nan 8.290 nan 0.000 0.529 557 Q N 0.756 120.553 119.800 -0.006 0.000 2.392 557 Q HA 0.371 4.713 4.340 0.004 0.000 0.262 557 Q C 0.477 176.476 176.000 -0.002 0.000 1.003 557 Q CA -0.138 55.662 55.803 -0.004 0.000 0.888 557 Q CB 0.299 29.035 28.738 -0.004 0.000 1.260 557 Q HN 0.552 nan 8.270 nan 0.000 0.435 558 Q N 2.304 122.103 119.800 -0.001 0.000 2.394 558 Q HA 0.327 4.669 4.340 0.004 0.000 0.248 558 Q C -0.333 175.668 176.000 0.002 0.000 0.992 558 Q CA 0.298 56.101 55.803 0.001 0.000 0.888 558 Q CB 0.971 29.709 28.738 0.000 0.000 1.257 558 Q HN 0.651 nan 8.270 nan 0.000 0.462 559 M N -1.134 118.469 119.600 0.004 0.000 2.644 559 M HA 0.522 5.004 4.480 0.004 0.000 0.273 559 M C -1.433 174.871 176.300 0.007 0.000 1.253 559 M CA -0.792 54.512 55.300 0.006 0.000 0.852 559 M CB 2.317 34.922 32.600 0.008 0.000 1.708 559 M HN 0.253 nan 8.290 nan 0.000 0.471 560 T N 2.426 116.985 114.554 0.007 0.000 2.824 560 T HA 0.710 5.062 4.350 0.004 0.000 0.280 560 T C -1.213 173.492 174.700 0.009 0.000 0.995 560 T CA -0.529 61.575 62.100 0.008 0.000 1.009 560 T CB 1.415 70.287 68.868 0.007 0.000 0.955 560 T HN 0.524 nan 8.240 nan 0.000 0.452 561 L N 3.189 124.418 121.223 0.010 0.000 2.343 561 L HA 0.443 4.785 4.340 0.004 0.000 0.278 561 L C -0.096 176.780 176.870 0.011 0.000 0.996 561 L CA -0.402 54.445 54.840 0.011 0.000 0.831 561 L CB 1.315 43.381 42.059 0.012 0.000 1.232 561 L HN 0.466 nan 8.230 nan 0.000 0.413 562 K N 5.217 125.623 120.400 0.011 0.000 2.276 562 K HA 0.470 4.792 4.320 0.004 0.000 0.285 562 K C -0.848 175.758 176.600 0.011 0.000 1.062 562 K CA -0.203 56.091 56.287 0.011 0.000 0.918 562 K CB 0.610 33.117 32.500 0.011 0.000 1.055 562 K HN 0.531 nan 8.250 nan 0.000 0.477 563 I N 3.603 124.178 120.570 0.010 0.000 2.339 563 I HA 0.138 4.310 4.170 0.004 0.000 0.290 563 I C -0.106 176.016 176.117 0.009 0.000 0.994 563 I CA -0.374 60.931 61.300 0.008 0.000 1.191 563 I CB 1.482 39.486 38.000 0.006 0.000 1.343 563 I HN 0.474 nan 8.210 nan 0.000 0.458 564 E N 5.453 125.659 120.200 0.009 0.000 2.546 564 E HA 0.371 4.723 4.350 0.004 0.000 0.227 564 E C 0.125 176.732 176.600 0.012 0.000 1.009 564 E CA -0.351 56.057 56.400 0.013 0.000 0.813 564 E CB 1.497 31.206 29.700 0.013 0.000 1.269 564 E HN 0.811 nan 8.360 nan 0.000 0.432 565 G N 1.369 110.176 108.800 0.012 0.000 2.971 565 G HA2 0.219 4.181 3.960 0.004 0.000 0.235 565 G HA3 0.219 4.181 3.960 0.004 0.000 0.235 565 G C -0.386 174.528 174.900 0.024 0.000 1.351 565 G CA -0.555 44.550 45.100 0.009 0.000 1.039 565 G HN 0.218 nan 8.290 nan 0.000 0.563 566 D N -0.244 120.170 120.400 0.023 0.000 2.264 566 D HA 0.227 4.869 4.640 0.004 0.000 0.249 566 D C -0.165 176.171 176.300 0.061 0.000 1.070 566 D CA 0.016 54.045 54.000 0.048 0.000 0.912 566 D CB 1.420 42.244 40.800 0.040 0.000 1.193 566 D HN 0.395 nan 8.370 nan 0.000 0.427 567 H N -0.276 118.799 119.070 0.008 0.000 2.964 567 H HA 0.278 4.836 4.556 0.003 0.000 0.328 567 H C 1.384 176.718 175.328 0.010 0.000 1.030 567 H CA 1.359 57.412 56.048 0.009 0.000 1.445 567 H CB 0.346 30.113 29.762 0.009 0.000 1.449 567 H HN 0.635 nan 8.280 nan 0.000 0.581 568 G N 2.516 110.991 108.800 -0.542 0.000 2.155 568 G HA2 -0.245 3.718 3.960 0.004 0.000 0.257 568 G HA3 -0.245 3.718 3.960 0.004 0.000 0.257 568 G C 0.206 175.036 174.900 -0.116 0.000 0.983 568 G CA 0.328 45.240 45.100 -0.314 0.000 0.676 568 G HN 0.949 nan 8.290 nan 0.000 0.528 569 A N -0.398 122.372 122.820 -0.084 0.000 2.306 569 A HA 0.822 5.145 4.320 0.004 0.000 0.314 569 A C 0.546 178.109 177.584 -0.034 0.000 1.164 569 A CA 0.102 52.117 52.037 -0.037 0.000 0.822 569 A CB 0.635 19.624 19.000 -0.019 0.000 1.130 569 A HN 0.748 nan 8.150 nan 0.000 0.496 570 R N 1.234 121.725 120.500 -0.014 0.000 2.490 570 R HA 0.542 4.884 4.340 0.004 0.000 0.278 570 R C -1.417 174.886 176.300 0.005 0.000 1.069 570 R CA -0.055 56.045 56.100 -0.000 0.000 1.080 570 R CB 0.690 31.002 30.300 0.021 0.000 1.030 570 R HN 0.443 nan 8.270 nan 0.000 0.491 571 V N 5.687 125.608 119.914 0.012 0.000 2.524 571 V HA 0.272 4.394 4.120 0.004 0.000 0.297 571 V C -0.585 175.532 176.094 0.037 0.000 1.035 571 V CA -0.831 61.477 62.300 0.015 0.000 0.867 571 V CB 1.634 33.458 31.823 0.002 0.000 1.004 571 V HN 0.676 nan 8.190 nan 0.000 0.426 572 V N 3.855 123.809 119.914 0.068 0.000 2.612 572 V HA 0.819 4.941 4.120 0.004 0.000 0.301 572 V C -0.535 175.605 176.094 0.077 0.000 1.046 572 V CA -0.624 61.729 62.300 0.089 0.000 0.946 572 V CB 1.794 33.712 31.823 0.157 0.000 1.003 572 V HN 0.654 nan 8.190 nan 0.000 0.459 573 L N 3.347 124.608 121.223 0.063 0.000 2.327 573 L HA 0.928 5.270 4.340 0.004 0.000 0.258 573 L C -0.788 176.116 176.870 0.057 0.000 1.024 573 L CA -0.945 53.927 54.840 0.053 0.000 0.825 573 L CB 2.333 44.413 42.059 0.035 0.000 1.386 573 L HN 0.686 nan 8.230 nan 0.000 0.417 574 V N 0.503 120.451 119.914 0.057 0.000 3.098 574 V HA 0.857 4.979 4.120 0.004 0.000 0.294 574 V C -1.645 174.482 176.094 0.055 0.000 1.351 574 V CA -0.213 62.121 62.300 0.057 0.000 0.999 574 V CB 2.236 34.105 31.823 0.078 0.000 1.104 574 V HN 0.848 nan 8.190 nan 0.000 0.438 575 A N 4.797 127.642 122.820 0.042 0.000 2.356 575 A HA 0.915 5.237 4.320 0.004 0.000 0.310 575 A C -1.430 176.164 177.584 0.018 0.000 1.075 575 A CA -0.513 51.546 52.037 0.037 0.000 0.746 575 A CB 1.881 20.895 19.000 0.024 0.000 1.221 575 A HN 1.176 nan 8.150 nan 0.000 0.443 576 V N 2.301 122.224 119.914 0.016 0.000 2.656 576 V HA 0.293 4.415 4.120 0.004 0.000 0.307 576 V C -0.576 175.435 176.094 -0.138 0.000 1.051 576 V CA -0.790 61.464 62.300 -0.077 0.000 0.893 576 V CB 1.999 33.769 31.823 -0.089 0.000 0.999 576 V HN 0.970 nan 8.190 nan 0.000 0.426 577 D N 3.523 123.813 120.400 -0.184 0.000 2.382 577 D HA 0.066 4.708 4.640 0.004 0.000 0.259 577 D C 1.063 177.175 176.300 -0.313 0.000 1.224 577 D CA 0.163 54.062 54.000 -0.168 0.000 0.894 577 D CB 1.042 41.769 40.800 -0.121 0.000 1.127 577 D HN 0.493 nan 8.370 nan 0.000 0.487 578 K N 2.299 122.581 120.400 -0.197 0.000 2.442 578 K HA -0.099 4.224 4.320 0.004 0.000 0.199 578 K C 1.786 178.263 176.600 -0.206 0.000 1.044 578 K CA 0.722 56.898 56.287 -0.186 0.000 0.941 578 K CB 0.062 32.596 32.500 0.057 0.000 0.759 578 K HN 0.534 nan 8.250 nan 0.000 0.472 579 G N 0.835 109.522 108.800 -0.187 0.000 2.432 579 G HA2 -0.207 3.756 3.960 0.004 0.000 0.219 579 G HA3 -0.207 3.756 3.960 0.004 0.000 0.219 579 G C 1.470 176.224 174.900 -0.244 0.000 1.135 579 G CA 0.450 45.453 45.100 -0.161 0.000 0.767 579 G HN 0.110 nan 8.290 nan 0.000 0.550 580 V N 0.576 120.250 119.914 -0.401 0.000 2.392 580 V HA -0.165 3.958 4.120 0.004 0.000 0.249 580 V C 2.395 178.283 176.094 -0.342 0.000 1.059 580 V CA 1.513 63.528 62.300 -0.475 0.000 1.051 580 V CB -0.594 30.831 31.823 -0.663 0.000 0.658 580 V HN 0.346 nan 8.190 nan 0.000 0.455 581 F N -0.764 119.125 119.950 -0.102 0.000 2.615 581 F HA 0.075 4.605 4.527 0.004 0.000 0.297 581 F C 2.138 177.881 175.800 -0.096 0.000 1.124 581 F CA -0.085 57.863 58.000 -0.086 0.000 1.451 581 F CB -1.278 37.689 39.000 -0.055 0.000 1.103 581 F HN -0.039 nan 8.300 nan 0.000 0.569 582 V N -0.345 119.574 119.914 0.009 0.000 2.490 582 V HA -0.236 3.886 4.120 0.004 0.000 0.250 582 V C 2.183 178.222 176.094 -0.091 0.000 1.061 582 V CA 1.329 63.590 62.300 -0.065 0.000 1.064 582 V CB -0.473 31.265 31.823 -0.142 0.000 0.670 582 V HN 0.205 nan 8.190 nan 0.000 0.461 583 L N -0.794 120.358 121.223 -0.119 0.000 2.298 583 L HA 0.323 4.665 4.340 0.004 0.000 0.209 583 L C 0.778 177.591 176.870 -0.095 0.000 1.084 583 L CA 1.017 55.764 54.840 -0.154 0.000 0.816 583 L CB -0.295 41.584 42.059 -0.300 0.000 0.967 583 L HN 0.422 nan 8.230 nan 0.000 0.460 584 N N -0.431 118.249 118.700 -0.032 0.000 2.554 584 N HA 0.117 4.860 4.740 0.004 0.000 0.271 584 N C -0.535 175.056 175.510 0.135 0.000 1.081 584 N CA -0.013 53.054 53.050 0.029 0.000 0.994 584 N CB 1.283 39.776 38.487 0.011 0.000 1.641 584 N HN 0.150 nan 8.380 nan 0.000 0.511 585 K N 1.029 121.478 120.400 0.081 0.000 2.447 585 K HA 0.327 4.650 4.320 0.004 0.000 0.205 585 K C -0.020 176.572 176.600 -0.014 0.000 1.059 585 K CA -0.359 55.941 56.287 0.021 0.000 1.065 585 K CB 0.862 33.331 32.500 -0.052 0.000 0.885 585 K HN 0.165 nan 8.250 nan 0.000 0.545 586 K N 1.651 122.072 120.400 0.034 0.000 2.168 586 K HA 0.149 4.471 4.320 0.004 0.000 0.258 586 K C -0.415 176.223 176.600 0.064 0.000 1.010 586 K CA -0.089 56.221 56.287 0.039 0.000 0.929 586 K CB 0.327 32.856 32.500 0.050 0.000 0.998 586 K HN 0.219 nan 8.250 nan 0.000 0.479 587 N N 0.437 119.175 118.700 0.062 0.000 2.780 587 N HA -0.183 4.560 4.740 0.004 0.000 0.248 587 N C -1.312 174.250 175.510 0.088 0.000 1.102 587 N CA 0.469 53.574 53.050 0.092 0.000 0.697 587 N CB -0.744 37.825 38.487 0.135 0.000 1.028 587 N HN 0.389 nan 8.380 nan 0.000 0.554 588 K N 0.853 121.273 120.400 0.033 0.000 2.227 588 K HA 0.271 4.593 4.320 0.004 0.000 0.280 588 K C -0.024 176.586 176.600 0.017 0.000 1.041 588 K CA -0.879 55.413 56.287 0.008 0.000 0.905 588 K CB 1.176 33.618 32.500 -0.096 0.000 1.068 588 K HN 0.049 nan 8.250 nan 0.000 0.470 589 L N 2.914 124.161 121.223 0.041 0.000 2.499 589 L HA 0.079 4.421 4.340 0.004 0.000 0.273 589 L C -0.450 176.392 176.870 -0.046 0.000 1.195 589 L CA 1.273 56.124 54.840 0.019 0.000 0.882 589 L CB 0.488 42.584 42.059 0.062 0.000 1.133 589 L HN 0.582 nan 8.230 nan 0.000 0.483 590 T N 3.433 117.933 114.554 -0.089 0.000 2.900 590 T HA 0.190 4.542 4.350 0.004 0.000 0.303 590 T C 0.298 174.890 174.700 -0.180 0.000 1.142 590 T CA -0.279 61.758 62.100 -0.104 0.000 1.007 590 T CB 1.782 70.616 68.868 -0.057 0.000 1.156 590 T HN 0.564 nan 8.240 nan 0.000 0.490 591 Q N 1.574 121.275 119.800 -0.165 0.000 2.119 591 Q HA -0.077 4.266 4.340 0.004 0.000 0.201 591 Q C 2.334 178.240 176.000 -0.157 0.000 0.972 591 Q CA 2.259 57.923 55.803 -0.231 0.000 0.847 591 Q CB -0.368 28.298 28.738 -0.120 0.000 0.903 591 Q HN 0.724 nan 8.270 nan 0.000 0.433 592 S N -0.727 114.975 115.700 0.003 0.000 2.428 592 S HA -0.088 4.384 4.470 0.004 0.000 0.230 592 S C 1.694 176.332 174.600 0.063 0.000 1.014 592 S CA 0.834 59.104 58.200 0.117 0.000 0.957 592 S CB -0.155 63.109 63.200 0.106 0.000 0.784 592 S HN 0.360 nan 8.310 nan 0.000 0.499 593 K N 0.525 120.912 120.400 -0.023 0.000 2.155 593 K HA 0.177 4.499 4.320 0.004 0.000 0.203 593 K C 1.922 178.485 176.600 -0.062 0.000 1.052 593 K CA 1.239 57.519 56.287 -0.012 0.000 0.948 593 K CB -0.267 32.227 32.500 -0.011 0.000 0.728 593 K HN 0.455 nan 8.250 nan 0.000 0.448 594 I N -0.629 119.768 120.570 -0.287 0.000 2.202 594 I HA -0.244 3.928 4.170 0.004 0.000 0.242 594 I C 1.852 177.792 176.117 -0.294 0.000 1.091 594 I CA 1.398 62.381 61.300 -0.528 0.000 1.368 594 I CB -0.231 37.151 38.000 -1.029 0.000 1.058 594 I HN 0.305 nan 8.210 nan 0.000 0.410 595 W N 1.170 122.423 121.300 -0.078 0.000 2.388 595 W HA -0.182 4.480 4.660 0.002 0.000 0.294 595 W C 2.173 178.709 176.519 0.028 0.000 1.212 595 W CA 0.295 57.631 57.345 -0.015 0.000 1.271 595 W CB -0.356 29.105 29.460 0.003 0.000 1.126 595 W HN 0.105 nan 8.180 nan 0.000 0.535 596 D N 0.057 120.602 120.400 0.241 0.000 2.097 596 D HA -0.188 4.454 4.640 0.004 0.000 0.195 596 D C 2.211 178.613 176.300 0.169 0.000 0.989 596 D CA 1.447 55.556 54.000 0.180 0.000 0.827 596 D CB -0.488 40.392 40.800 0.133 0.000 0.966 596 D HN -0.151 nan 8.370 nan 0.000 0.456 597 V N -0.128 119.880 119.914 0.158 0.000 2.287 597 V HA -0.242 3.880 4.120 0.004 0.000 0.248 597 V C 2.475 178.666 176.094 0.162 0.000 1.053 597 V CA 1.233 63.635 62.300 0.171 0.000 1.027 597 V CB -0.376 31.576 31.823 0.215 0.000 0.646 597 V HN 0.107 nan 8.190 nan 0.000 0.447 598 V N -0.405 119.575 119.914 0.110 0.000 2.287 598 V HA -0.259 3.863 4.120 0.004 0.000 0.248 598 V C 2.429 178.698 176.094 0.293 0.000 1.053 598 V CA 2.131 64.544 62.300 0.190 0.000 1.027 598 V CB -0.630 31.370 31.823 0.295 0.000 0.646 598 V HN 0.603 nan 8.190 nan 0.000 0.447 599 E N -0.171 120.187 120.200 0.263 0.000 2.208 599 E HA -0.182 4.170 4.350 0.004 0.000 0.193 599 E C 2.132 178.834 176.600 0.169 0.000 0.988 599 E CA 0.725 57.256 56.400 0.219 0.000 0.828 599 E CB -0.082 29.738 29.700 0.201 0.000 0.763 599 E HN 0.584 nan 8.360 nan 0.000 0.478 600 K N 0.185 120.687 120.400 0.169 0.000 2.439 600 K HA 0.022 4.345 4.320 0.004 0.000 0.197 600 K C 1.406 178.099 176.600 0.155 0.000 1.041 600 K CA 0.635 57.003 56.287 0.136 0.000 0.970 600 K CB 0.312 32.889 32.500 0.128 0.000 0.773 600 K HN -0.050 nan 8.250 nan 0.000 0.479 601 A N 1.232 124.184 122.820 0.221 0.000 2.460 601 A HA 0.045 4.367 4.320 0.004 0.000 0.258 601 A C -0.336 177.359 177.584 0.186 0.000 1.300 601 A CA -0.337 51.843 52.037 0.237 0.000 0.913 601 A CB -0.104 19.141 19.000 0.408 0.000 1.031 601 A HN 0.132 nan 8.150 nan 0.000 0.512 602 D N 0.135 120.628 120.400 0.155 0.000 2.382 602 D HA 0.250 4.892 4.640 0.004 0.000 0.245 602 D C 1.413 177.760 176.300 0.077 0.000 1.120 602 D CA 0.029 54.103 54.000 0.123 0.000 0.890 602 D CB 0.558 41.430 40.800 0.120 0.000 1.201 602 D HN 0.352 nan 8.370 nan 0.000 0.433 603 I N 0.288 120.895 120.570 0.062 0.000 3.427 603 I HA 0.350 4.522 4.170 0.004 0.000 0.288 603 I C 1.066 177.214 176.117 0.051 0.000 1.249 603 I CA -0.324 61.002 61.300 0.043 0.000 1.421 603 I CB -0.133 37.882 38.000 0.024 0.000 1.086 603 I HN 0.259 nan 8.210 nan 0.000 0.448 604 G N 0.143 108.981 108.800 0.064 0.000 2.442 604 G HA2 0.308 4.270 3.960 0.004 0.000 0.249 604 G HA3 0.308 4.270 3.960 0.004 0.000 0.249 604 G C 0.234 175.147 174.900 0.022 0.000 1.263 604 G CA -0.249 44.886 45.100 0.059 0.000 0.846 604 G HN 0.469 nan 8.290 nan 0.000 0.555 605 c N 0.181 118.789 118.600 0.014 0.000 3.294 605 c HA 0.291 4.863 4.570 0.004 0.000 0.441 605 c C 1.263 175.330 174.090 -0.039 0.000 1.364 605 c CA 0.086 56.408 56.329 -0.010 0.000 2.059 605 c CB -0.276 42.245 42.510 0.019 0.000 2.925 605 c HN 0.652 nan 8.230 nan 0.000 0.633 606 T N 2.654 117.203 114.554 -0.009 0.000 2.907 606 T HA 0.263 4.615 4.350 0.004 0.000 0.284 606 T C -1.780 172.886 174.700 -0.056 0.000 1.004 606 T CA -0.472 61.632 62.100 0.007 0.000 1.063 606 T CB 1.352 70.287 68.868 0.110 0.000 0.992 606 T HN 0.021 nan 8.240 nan 0.000 0.483 607 P HA 0.132 nan 4.420 nan 0.000 0.226 607 P C 0.531 177.909 177.300 0.129 0.000 1.146 607 P CA 0.731 63.800 63.100 -0.051 0.000 0.773 607 P CB -0.021 31.669 31.700 -0.017 0.000 0.772 608 G N -3.293 105.583 108.800 0.127 0.000 2.352 608 G HA2 0.354 4.316 3.960 0.004 0.000 0.302 608 G HA3 0.354 4.316 3.960 0.004 0.000 0.302 608 G C -0.593 174.410 174.900 0.170 0.000 1.370 608 G CA -0.024 45.156 45.100 0.133 0.000 0.918 608 G HN 0.076 nan 8.290 nan 0.000 0.610 609 S N -2.412 113.359 115.700 0.117 0.000 3.443 609 S HA 0.410 4.882 4.470 0.004 0.000 0.635 609 S C 0.734 175.375 174.600 0.069 0.000 2.555 609 S CA 1.823 60.098 58.200 0.125 0.000 2.778 609 S CB -0.989 62.364 63.200 0.255 0.000 0.331 609 S HN 3.022 nan 8.310 nan 0.000 1.765 610 G N -0.107 108.643 108.800 -0.084 0.000 2.451 610 G HA2 0.501 4.464 3.960 0.004 0.000 0.292 610 G HA3 0.501 4.464 3.960 0.004 0.000 0.292 610 G C -0.152 174.127 174.900 -1.036 0.000 1.427 610 G CA 0.388 45.113 45.100 -0.626 0.000 0.792 610 G HN 1.024 nan 8.290 nan 0.000 0.498 611 K N -1.007 118.644 120.400 -1.249 0.000 2.366 611 K HA 0.217 4.539 4.320 0.004 0.000 0.198 611 K C 0.371 176.657 176.600 -0.523 0.000 1.044 611 K CA 1.700 57.561 56.287 -0.710 0.000 0.973 611 K CB -0.099 32.189 32.500 -0.354 0.000 0.767 611 K HN 0.642 nan 8.250 nan 0.000 0.475 612 D N -2.205 117.885 120.400 -0.517 0.000 2.792 612 D HA -0.021 4.621 4.640 0.004 0.000 0.335 612 D C 0.707 176.853 176.300 -0.256 0.000 1.353 612 D CA -0.648 52.931 54.000 -0.702 0.000 0.839 612 D CB -0.077 40.390 40.800 -0.555 0.000 1.396 612 D HN -0.044 nan 8.370 nan 0.000 0.479 613 Y N -0.821 119.397 120.300 -0.138 0.000 2.181 613 Y HA 0.082 4.634 4.550 0.003 0.000 0.288 613 Y C 2.235 178.188 175.900 0.088 0.000 1.146 613 Y CA 1.592 59.719 58.100 0.045 0.000 1.164 613 Y CB -1.091 37.365 38.460 -0.007 0.000 0.982 613 Y HN 0.439 nan 8.280 nan 0.000 0.515 614 A N 1.447 123.776 122.820 -0.819 0.000 1.902 614 A HA -0.044 4.278 4.320 0.004 0.000 0.217 614 A C 2.501 180.014 177.584 -0.119 0.000 1.181 614 A CA 1.763 53.551 52.037 -0.415 0.000 0.623 614 A CB -1.700 16.954 19.000 -0.575 0.000 0.818 614 A HN 0.658 nan 8.150 nan 0.000 0.443 615 G N -0.703 107.977 108.800 -0.201 0.000 2.422 615 G HA2 -0.092 3.870 3.960 0.004 0.000 0.218 615 G HA3 -0.092 3.870 3.960 0.004 0.000 0.218 615 G C 1.488 176.339 174.900 -0.083 0.000 1.146 615 G CA 1.187 46.197 45.100 -0.151 0.000 0.769 615 G HN 0.315 nan 8.290 nan 0.000 0.547 616 V N 0.207 120.084 119.914 -0.061 0.000 2.307 616 V HA -0.096 4.026 4.120 0.004 0.000 0.245 616 V C 2.475 178.537 176.094 -0.054 0.000 1.045 616 V CA 1.525 63.784 62.300 -0.067 0.000 1.024 616 V CB -0.587 31.176 31.823 -0.100 0.000 0.651 616 V HN 0.314 nan 8.190 nan 0.000 0.449 617 F N 0.662 120.622 119.950 0.017 0.000 2.075 617 F HA -0.178 4.351 4.527 0.003 0.000 0.297 617 F C 2.765 178.595 175.800 0.049 0.000 1.113 617 F CA 2.047 60.078 58.000 0.052 0.000 1.218 617 F CB -0.880 38.159 39.000 0.065 0.000 0.984 617 F HN 0.016 nan 8.300 nan 0.000 0.472 618 S N -0.225 115.604 115.700 0.215 0.000 2.359 618 S HA -0.209 4.263 4.470 0.004 0.000 0.224 618 S C 1.618 176.275 174.600 0.095 0.000 1.035 618 S CA 1.643 59.919 58.200 0.126 0.000 1.018 618 S CB -0.452 62.788 63.200 0.067 0.000 0.876 618 S HN 0.325 nan 8.310 nan 0.000 0.448 619 D N 1.402 121.846 120.400 0.072 0.000 2.218 619 D HA 0.019 4.661 4.640 0.004 0.000 0.204 619 D C 1.642 177.986 176.300 0.073 0.000 0.976 619 D CA 1.034 55.075 54.000 0.068 0.000 0.853 619 D CB -0.234 40.608 40.800 0.069 0.000 0.939 619 D HN 0.417 nan 8.370 nan 0.000 0.481 620 A N -0.579 122.292 122.820 0.085 0.000 2.275 620 A HA 0.472 4.794 4.320 0.004 0.000 0.212 620 A C 1.462 179.116 177.584 0.118 0.000 1.201 620 A CA 0.715 52.811 52.037 0.098 0.000 0.843 620 A CB -0.104 18.950 19.000 0.089 0.000 0.873 620 A HN 0.195 nan 8.150 nan 0.000 0.492 621 G N -0.795 108.076 108.800 0.118 0.000 2.248 621 G HA2 -0.150 3.812 3.960 0.004 0.000 0.252 621 G HA3 -0.150 3.812 3.960 0.004 0.000 0.252 621 G C -0.349 174.635 174.900 0.140 0.000 1.085 621 G CA 0.249 45.415 45.100 0.110 0.000 0.845 621 G HN 0.500 nan 8.290 nan 0.000 0.494 622 L N 0.584 121.925 121.223 0.196 0.000 2.431 622 L HA 0.689 5.031 4.340 0.004 0.000 0.266 622 L C 0.844 177.846 176.870 0.219 0.000 0.978 622 L CA -0.587 54.402 54.840 0.248 0.000 0.822 622 L CB 2.375 44.685 42.059 0.419 0.000 1.310 622 L HN 0.393 nan 8.230 nan 0.000 0.409 623 T N -0.659 113.973 114.554 0.131 0.000 2.913 623 T HA 0.580 4.932 4.350 0.004 0.000 0.287 623 T C -0.778 173.898 174.700 -0.041 0.000 1.008 623 T CA -0.355 61.775 62.100 0.051 0.000 1.067 623 T CB 1.471 70.352 68.868 0.021 0.000 0.996 623 T HN 0.324 nan 8.240 nan 0.000 0.513 624 F N 1.190 120.943 119.950 -0.327 0.000 2.561 624 F HA 0.605 5.134 4.527 0.004 0.000 0.313 624 F C -1.016 174.634 175.800 -0.250 0.000 1.126 624 F CA -0.272 57.427 58.000 -0.502 0.000 0.918 624 F CB 2.146 40.463 39.000 -1.139 0.000 1.199 624 F HN 0.874 nan 8.300 nan 0.000 0.444 625 T N 3.242 117.262 114.554 -0.890 0.000 2.993 625 T HA 0.584 4.936 4.350 0.004 0.000 0.312 625 T C -1.145 173.146 174.700 -0.681 0.000 1.115 625 T CA -0.905 60.859 62.100 -0.559 0.000 1.027 625 T CB 1.526 70.243 68.868 -0.252 0.000 1.116 625 T HN 0.672 nan 8.240 nan 0.000 0.464 626 S N 0.290 115.736 115.700 -0.424 0.000 2.599 626 S HA 0.589 5.061 4.470 0.004 0.000 0.287 626 S C 1.272 175.805 174.600 -0.112 0.000 1.105 626 S CA -0.217 57.813 58.200 -0.283 0.000 0.899 626 S CB 1.714 64.788 63.200 -0.210 0.000 1.100 626 S HN 0.749 nan 8.310 nan 0.000 0.482 627 S N 1.206 116.866 115.700 -0.068 0.000 2.442 627 S HA -0.057 4.416 4.470 0.004 0.000 0.236 627 S C 1.221 175.816 174.600 -0.008 0.000 1.007 627 S CA 0.998 59.196 58.200 -0.003 0.000 0.965 627 S CB -0.740 62.505 63.200 0.074 0.000 0.773 627 S HN 0.654 nan 8.310 nan 0.000 0.504 628 S N 0.615 116.298 115.700 -0.027 0.000 2.634 628 S HA 0.498 4.970 4.470 0.004 0.000 0.221 628 S C 1.500 176.096 174.600 -0.005 0.000 0.952 628 S CA 0.256 58.445 58.200 -0.019 0.000 0.930 628 S CB 0.013 63.192 63.200 -0.034 0.000 0.780 628 S HN 0.966 nan 8.310 nan 0.000 0.498 629 G N 0.937 109.736 108.800 -0.002 0.000 2.254 629 G HA2 -0.231 3.732 3.960 0.004 0.000 0.225 629 G HA3 -0.231 3.732 3.960 0.004 0.000 0.225 629 G C -0.082 174.844 174.900 0.044 0.000 1.003 629 G CA -0.570 44.538 45.100 0.013 0.000 0.622 629 G HN 0.478 nan 8.290 nan 0.000 0.507 630 Q N 1.537 121.387 119.800 0.083 0.000 2.297 630 Q HA 0.558 4.900 4.340 0.004 0.000 0.267 630 Q C 0.462 176.607 176.000 0.243 0.000 1.006 630 Q CA 0.823 56.756 55.803 0.216 0.000 0.896 630 Q CB 0.713 29.600 28.738 0.248 0.000 1.186 630 Q HN 0.848 nan 8.270 nan 0.000 0.392 631 Q N -0.424 119.522 119.800 0.243 0.000 2.575 631 Q HA 0.582 4.924 4.340 0.004 0.000 0.290 631 Q C -1.035 175.019 176.000 0.090 0.000 0.963 631 Q CA -1.098 54.803 55.803 0.164 0.000 0.783 631 Q CB 0.721 29.466 28.738 0.011 0.000 1.467 631 Q HN 0.546 nan 8.270 nan 0.000 0.402 632 T N -1.003 113.585 114.554 0.058 0.000 2.813 632 T HA 0.608 4.960 4.350 0.004 0.000 0.297 632 T C 0.676 175.365 174.700 -0.018 0.000 1.036 632 T CA -0.105 61.996 62.100 0.002 0.000 1.044 632 T CB 0.778 69.669 68.868 0.039 0.000 0.993 632 T HN 0.764 nan 8.240 nan 0.000 0.535 633 A N 1.464 124.266 122.820 -0.031 0.000 2.310 633 A HA 0.332 4.655 4.320 0.004 0.000 0.260 633 A C 0.695 178.273 177.584 -0.010 0.000 1.112 633 A CA -0.547 51.474 52.037 -0.027 0.000 0.804 633 A CB -0.096 18.885 19.000 -0.032 0.000 1.081 633 A HN 0.791 nan 8.150 nan 0.000 0.499 634 Q N 0.343 120.135 119.800 -0.012 0.000 2.296 634 Q HA 0.170 4.513 4.340 0.004 0.000 0.262 634 Q C -0.316 175.704 176.000 0.032 0.000 0.981 634 Q CA 0.337 56.138 55.803 -0.003 0.000 0.905 634 Q CB 0.805 29.525 28.738 -0.031 0.000 1.186 634 Q HN 0.597 nan 8.270 nan 0.000 0.399 635 R N 2.081 122.620 120.500 0.065 0.000 2.246 635 R HA 0.472 4.814 4.340 0.004 0.000 0.332 635 R C -0.149 176.252 176.300 0.167 0.000 0.974 635 R CA 0.028 56.180 56.100 0.088 0.000 0.837 635 R CB 0.515 30.855 30.300 0.068 0.000 1.145 635 R HN 0.635 nan 8.270 nan 0.000 0.467 636 A N 3.760 126.689 122.820 0.180 0.000 2.390 636 A HA 0.131 4.453 4.320 0.004 0.000 0.232 636 A C 0.092 177.762 177.584 0.143 0.000 1.233 636 A CA -0.120 52.094 52.037 0.296 0.000 0.907 636 A CB 0.321 19.519 19.000 0.329 0.000 0.967 636 A HN 0.656 nan 8.150 nan 0.000 0.512 637 E N -0.008 120.241 120.200 0.081 0.000 2.130 637 E HA 0.490 4.842 4.350 0.004 0.000 0.284 637 E C 0.641 177.250 176.600 0.014 0.000 1.018 637 E CA -0.202 56.225 56.400 0.045 0.000 0.817 637 E CB 0.799 30.524 29.700 0.043 0.000 1.078 637 E HN 0.339 nan 8.360 nan 0.000 0.396 638 L N 2.457 123.676 121.223 -0.007 0.000 2.291 638 L HA -0.015 4.327 4.340 0.004 0.000 0.214 638 L C 0.789 177.657 176.870 -0.003 0.000 1.120 638 L CA 0.650 55.476 54.840 -0.024 0.000 0.799 638 L CB 0.036 42.070 42.059 -0.040 0.000 0.925 638 L HN 0.504 nan 8.230 nan 0.000 0.446 639 Q N -1.592 118.214 119.800 0.008 0.000 2.241 639 Q HA 0.326 4.669 4.340 0.004 0.000 0.262 639 Q C -0.665 175.348 176.000 0.022 0.000 1.014 639 Q CA -0.444 55.369 55.803 0.016 0.000 0.885 639 Q CB 1.926 30.674 28.738 0.015 0.000 1.311 639 Q HN 0.063 nan 8.270 nan 0.000 0.461 640 c N 2.606 121.221 118.600 0.024 0.000 2.656 640 c HA 0.401 4.973 4.570 0.004 0.000 0.391 640 c C -1.798 172.307 174.090 0.026 0.000 1.300 640 c CA -0.794 55.550 56.329 0.026 0.000 2.302 640 c CB -0.516 42.007 42.510 0.021 0.000 2.655 640 c HN 0.709 nan 8.230 nan 0.000 0.656 641 P HA 0.409 nan 4.420 nan 0.000 0.272 641 P C -0.786 176.530 177.300 0.027 0.000 1.223 641 P CA 0.082 63.201 63.100 0.030 0.000 0.784 641 P CB 0.430 32.152 31.700 0.036 0.000 0.923 642 Q N 0.000 119.816 119.800 0.026 0.000 2.315 642 Q HA 0.000 4.342 4.340 0.004 0.000 0.214 642 Q CA 0.000 55.818 55.803 0.025 0.000 1.022 642 Q CB 0.000 28.752 28.738 0.024 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481