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 2win_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NRXXXXXKGR 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 XXRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQPAA 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 0.000 174.525 174.600 -0.125 0.000 1.055 1 S CA 0.000 58.160 58.200 -0.067 0.000 1.107 1 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 2 P HA 0.126 nan 4.420 nan 0.000 0.258 2 P C -0.530 176.408 177.300 -0.603 0.000 1.187 2 P CA 0.293 63.155 63.100 -0.398 0.000 0.767 2 P CB 0.172 31.643 31.700 -0.381 0.000 0.770 3 M N 5.027 124.325 119.600 -0.503 0.000 2.066 3 M HA 0.305 4.785 4.480 0.000 0.000 0.340 3 M C -1.332 174.712 176.300 -0.427 0.000 1.053 3 M CA -0.747 54.347 55.300 -0.343 0.000 0.983 3 M CB 0.573 33.138 32.600 -0.057 0.000 1.520 3 M HN 0.209 nan 8.290 nan 0.000 0.428 4 Y N 3.119 123.274 120.300 -0.243 0.000 2.434 4 Y HA 0.397 4.947 4.550 0.000 0.000 0.341 4 Y C 0.551 176.182 175.900 -0.449 0.000 0.965 4 Y CA -0.618 57.097 58.100 -0.642 0.000 1.205 4 Y CB 0.674 38.326 38.460 -1.345 0.000 1.121 4 Y HN 0.623 nan 8.280 nan 0.000 0.507 5 S N 2.901 118.508 115.700 -0.155 0.000 2.681 5 S HA 0.843 5.313 4.470 0.000 0.000 0.299 5 S C -1.046 173.481 174.600 -0.123 0.000 1.113 5 S CA -0.682 57.395 58.200 -0.205 0.000 1.013 5 S CB 2.245 65.361 63.200 -0.140 0.000 1.076 5 S HN 0.500 nan 8.310 nan 0.000 0.534 6 I N 0.281 120.673 120.570 -0.296 0.000 2.692 6 I HA 0.613 4.783 4.170 0.000 0.000 0.293 6 I C -1.889 174.102 176.117 -0.211 0.000 1.200 6 I CA -1.210 60.029 61.300 -0.103 0.000 1.036 6 I CB 1.748 39.762 38.000 0.024 0.000 1.258 6 I HN 0.868 nan 8.210 nan 0.000 0.421 7 I N 6.323 126.871 120.570 -0.037 0.000 2.499 7 I HA 0.566 4.736 4.170 0.000 0.000 0.288 7 I C -0.690 175.480 176.117 0.090 0.000 1.048 7 I CA -0.438 60.876 61.300 0.022 0.000 1.062 7 I CB 2.201 40.293 38.000 0.155 0.000 1.238 7 I HN 0.680 nan 8.210 nan 0.000 0.426 8 T N 2.676 117.284 114.554 0.089 0.000 2.896 8 T HA 0.583 4.933 4.350 0.000 0.000 0.297 8 T C -2.970 171.801 174.700 0.119 0.000 1.108 8 T CA -2.518 59.655 62.100 0.122 0.000 1.004 8 T CB 2.049 70.994 68.868 0.128 0.000 1.159 8 T HN 0.089 nan 8.240 nan 0.000 0.499 9 P HA 0.114 nan 4.420 nan 0.000 0.264 9 P C 0.630 177.977 177.300 0.079 0.000 1.179 9 P CA 0.158 63.310 63.100 0.086 0.000 0.763 9 P CB 0.281 32.009 31.700 0.047 0.000 0.806 10 N N 1.841 120.587 118.700 0.077 0.000 2.205 10 N HA -0.102 4.638 4.740 0.000 0.000 0.186 10 N C 0.035 175.575 175.510 0.050 0.000 1.015 10 N CA 0.658 53.748 53.050 0.068 0.000 0.862 10 N CB 0.000 38.526 38.487 0.065 0.000 0.986 10 N HN 0.354 nan 8.380 nan 0.000 0.429 11 I N 1.462 122.050 120.570 0.030 0.000 2.512 11 I HA 0.219 4.389 4.170 0.000 0.000 0.287 11 I C -0.687 175.421 176.117 -0.016 0.000 1.069 11 I CA -0.621 60.681 61.300 0.004 0.000 1.056 11 I CB 2.117 40.108 38.000 -0.015 0.000 1.229 11 I HN -0.039 nan 8.210 nan 0.000 0.429 12 L N 5.826 127.047 121.223 -0.004 0.000 2.456 12 L HA 0.514 4.855 4.340 0.000 0.000 0.257 12 L C 0.108 176.937 176.870 -0.069 0.000 1.162 12 L CA -0.580 54.255 54.840 -0.008 0.000 0.808 12 L CB 0.650 42.758 42.059 0.082 0.000 1.136 12 L HN 0.555 nan 8.230 nan 0.000 0.466 13 R N 0.735 121.171 120.500 -0.108 0.000 2.795 13 R HA 0.629 4.969 4.340 0.000 0.000 0.275 13 R C -1.315 174.936 176.300 -0.082 0.000 0.981 13 R CA -0.891 55.124 56.100 -0.141 0.000 0.917 13 R CB 1.934 32.035 30.300 -0.332 0.000 1.202 13 R HN 0.401 nan 8.270 nan 0.000 0.469 14 L N 1.862 123.058 121.223 -0.046 0.000 2.375 14 L HA 0.265 4.605 4.340 0.000 0.000 0.271 14 L C 0.304 177.155 176.870 -0.033 0.000 1.107 14 L CA -0.104 54.720 54.840 -0.026 0.000 0.806 14 L CB 0.822 42.872 42.059 -0.015 0.000 1.146 14 L HN 0.759 nan 8.230 nan 0.000 0.447 15 E N 0.533 120.713 120.200 -0.033 0.000 2.360 15 E HA -0.206 4.144 4.350 0.000 0.000 0.238 15 E C -0.649 175.922 176.600 -0.048 0.000 1.186 15 E CA 0.603 56.977 56.400 -0.042 0.000 0.719 15 E CB -1.147 28.518 29.700 -0.059 0.000 1.236 15 E HN 0.677 nan 8.360 nan 0.000 0.386 16 S N -1.101 114.560 115.700 -0.066 0.000 2.550 16 S HA 0.420 4.890 4.470 0.000 0.000 0.270 16 S C -0.650 173.856 174.600 -0.158 0.000 1.145 16 S CA -1.174 56.980 58.200 -0.078 0.000 0.852 16 S CB 1.930 65.100 63.200 -0.051 0.000 1.119 16 S HN 0.157 nan 8.310 nan 0.000 0.465 17 E N 1.515 121.624 120.200 -0.153 0.000 2.129 17 E HA 0.235 4.585 4.350 0.000 0.000 0.283 17 E C -0.600 175.818 176.600 -0.302 0.000 1.080 17 E CA -0.277 55.985 56.400 -0.230 0.000 0.867 17 E CB 0.557 30.175 29.700 -0.137 0.000 1.056 17 E HN 0.421 nan 8.360 nan 0.000 0.404 18 E N 2.490 122.352 120.200 -0.563 0.000 2.151 18 E HA 0.200 4.550 4.350 0.000 0.000 0.275 18 E C -0.278 176.044 176.600 -0.463 0.000 0.936 18 E CA -0.421 55.674 56.400 -0.508 0.000 0.777 18 E CB 1.767 31.141 29.700 -0.543 0.000 1.108 18 E HN 0.317 nan 8.360 nan 0.000 0.401 19 T N 2.236 116.696 114.554 -0.156 0.000 2.813 19 T HA 0.397 4.747 4.350 0.000 0.000 0.297 19 T C 0.530 175.301 174.700 0.118 0.000 1.036 19 T CA -0.249 61.842 62.100 -0.015 0.000 1.044 19 T CB 0.505 69.382 68.868 0.015 0.000 0.993 19 T HN 0.400 nan 8.240 nan 0.000 0.535 20 M N 1.990 121.687 119.600 0.162 0.000 2.215 20 M HA 0.358 4.838 4.480 0.000 0.000 0.251 20 M C -1.818 174.558 176.300 0.128 0.000 0.987 20 M CA -0.588 54.824 55.300 0.187 0.000 1.025 20 M CB 1.050 33.806 32.600 0.261 0.000 2.064 20 M HN 0.316 nan 8.290 nan 0.000 0.473 21 V N 6.241 126.229 119.914 0.124 0.000 2.387 21 V HA 0.266 4.386 4.120 0.000 0.000 0.260 21 V C 0.166 176.338 176.094 0.130 0.000 1.054 21 V CA -0.173 62.200 62.300 0.122 0.000 0.967 21 V CB 0.407 32.319 31.823 0.147 0.000 1.036 21 V HN 0.776 nan 8.190 nan 0.000 0.481 22 L N 5.198 126.499 121.223 0.130 0.000 2.399 22 L HA 0.621 4.961 4.340 0.000 0.000 0.266 22 L C 0.327 177.309 176.870 0.186 0.000 1.114 22 L CA -0.067 54.890 54.840 0.196 0.000 0.804 22 L CB 1.015 43.181 42.059 0.178 0.000 1.146 22 L HN 0.616 nan 8.230 nan 0.000 0.451 23 E N 0.449 120.777 120.200 0.214 0.000 2.445 23 E HA 0.765 5.116 4.350 0.000 0.000 0.279 23 E C -1.657 174.903 176.600 -0.067 0.000 1.018 23 E CA -0.972 55.450 56.400 0.036 0.000 0.816 23 E CB 2.488 32.170 29.700 -0.029 0.000 1.356 23 E HN 0.575 nan 8.360 nan 0.000 0.462 24 A N 2.042 124.719 122.820 -0.238 0.000 2.550 24 A HA 0.371 4.691 4.320 0.000 0.000 0.282 24 A C -1.559 175.759 177.584 -0.444 0.000 1.071 24 A CA -0.688 51.186 52.037 -0.273 0.000 0.838 24 A CB 0.501 19.518 19.000 0.027 0.000 1.361 24 A HN 0.530 nan 8.150 nan 0.000 0.408 25 H N 1.515 120.460 119.070 -0.209 0.000 2.487 25 H HA 0.300 4.856 4.556 0.000 0.000 0.333 25 H C -0.453 174.743 175.328 -0.219 0.000 1.114 25 H CA 0.340 56.318 56.048 -0.118 0.000 1.310 25 H CB 1.207 30.966 29.762 -0.003 0.000 1.462 25 H HN 0.765 nan 8.280 nan 0.000 0.516 26 D N -0.199 120.183 120.400 -0.031 0.000 2.751 26 D HA -0.155 4.485 4.640 0.000 0.000 0.233 26 D C -0.026 176.169 176.300 -0.175 0.000 1.149 26 D CA 0.915 54.868 54.000 -0.078 0.000 0.682 26 D CB -1.229 39.542 40.800 -0.048 0.000 1.068 26 D HN 0.713 nan 8.370 nan 0.000 0.429 27 A N -0.013 122.609 122.820 -0.331 0.000 2.303 27 A HA 0.596 4.916 4.320 0.000 0.000 0.317 27 A C 0.351 177.795 177.584 -0.233 0.000 1.149 27 A CA -0.534 51.306 52.037 -0.327 0.000 0.822 27 A CB 1.269 20.010 19.000 -0.431 0.000 1.131 27 A HN -0.018 nan 8.150 nan 0.000 0.493 28 Q N 0.520 120.294 119.800 -0.045 0.000 2.274 28 Q HA 0.539 4.879 4.340 0.000 0.000 0.260 28 Q C 0.757 176.829 176.000 0.120 0.000 0.974 28 Q CA 0.684 56.517 55.803 0.050 0.000 0.876 28 Q CB 1.637 30.397 28.738 0.036 0.000 1.297 28 Q HN 1.666 nan 8.270 nan 0.000 0.446 29 G N 3.571 112.461 108.800 0.151 0.000 2.575 29 G HA2 -0.254 3.706 3.960 0.000 0.000 0.267 29 G HA3 -0.254 3.706 3.960 0.000 0.000 0.267 29 G C -0.525 174.483 174.900 0.180 0.000 1.264 29 G CA -0.050 45.128 45.100 0.129 0.000 0.935 29 G HN 0.603 nan 8.290 nan 0.000 0.568 30 D N -0.889 119.578 120.400 0.112 0.000 2.423 30 D HA 0.588 5.228 4.640 0.000 0.000 0.255 30 D C 0.190 176.566 176.300 0.127 0.000 1.174 30 D CA 0.547 54.611 54.000 0.107 0.000 1.008 30 D CB 1.728 42.560 40.800 0.054 0.000 1.101 30 D HN 1.127 nan 8.370 nan 0.000 0.516 31 V N 0.804 120.791 119.914 0.122 0.000 2.671 31 V HA 0.278 4.398 4.120 0.000 0.000 0.292 31 V C -2.901 173.236 176.094 0.072 0.000 1.115 31 V CA -1.699 60.669 62.300 0.113 0.000 0.918 31 V CB 2.124 34.057 31.823 0.184 0.000 1.036 31 V HN 0.293 nan 8.190 nan 0.000 0.445 32 P HA 0.230 nan 4.420 nan 0.000 0.265 32 P C -0.730 176.538 177.300 -0.055 0.000 1.222 32 P CA 0.338 63.432 63.100 -0.011 0.000 0.767 32 P CB 0.808 32.497 31.700 -0.018 0.000 0.801 33 V N 4.216 124.081 119.914 -0.083 0.000 2.459 33 V HA 0.493 4.613 4.120 0.000 0.000 0.295 33 V C 0.379 176.351 176.094 -0.203 0.000 1.029 33 V CA -0.369 61.805 62.300 -0.209 0.000 0.874 33 V CB 1.821 33.508 31.823 -0.226 0.000 0.985 33 V HN 0.582 nan 8.190 nan 0.000 0.438 34 T N 1.681 116.082 114.554 -0.255 0.000 2.833 34 T HA 0.673 5.023 4.350 0.000 0.000 0.297 34 T C -0.736 173.828 174.700 -0.227 0.000 1.015 34 T CA -0.615 61.371 62.100 -0.190 0.000 0.963 34 T CB 1.180 69.967 68.868 -0.135 0.000 0.955 34 T HN 0.246 nan 8.240 nan 0.000 0.449 35 V N 4.243 124.036 119.914 -0.202 0.000 2.439 35 V HA 0.648 4.768 4.120 0.000 0.000 0.282 35 V C 0.299 176.269 176.094 -0.206 0.000 1.039 35 V CA -0.287 61.881 62.300 -0.219 0.000 0.913 35 V CB 1.464 33.162 31.823 -0.209 0.000 0.983 35 V HN 1.137 nan 8.190 nan 0.000 0.460 36 T N 3.670 118.090 114.554 -0.223 0.000 2.909 36 T HA 0.654 5.004 4.350 0.000 0.000 0.299 36 T C -0.870 173.629 174.700 -0.335 0.000 1.073 36 T CA -0.522 61.419 62.100 -0.265 0.000 0.999 36 T CB 2.013 70.767 68.868 -0.190 0.000 1.098 36 T HN 0.325 nan 8.240 nan 0.000 0.477 37 V N 2.675 122.320 119.914 -0.448 0.000 2.531 37 V HA 0.544 4.664 4.120 0.000 0.000 0.301 37 V C -1.009 174.812 176.094 -0.455 0.000 1.034 37 V CA -0.852 61.227 62.300 -0.369 0.000 0.865 37 V CB 1.556 33.184 31.823 -0.325 0.000 0.995 37 V HN 0.927 nan 8.190 nan 0.000 0.424 38 H N 1.352 120.412 119.070 -0.017 0.000 2.731 38 H HA 0.555 5.111 4.556 0.000 0.000 0.368 38 H C -0.614 174.752 175.328 0.063 0.000 1.168 38 H CA -0.909 55.148 56.048 0.016 0.000 1.181 38 H CB 1.374 31.143 29.762 0.013 0.000 1.743 38 H HN 0.789 nan 8.280 nan 0.000 0.547 39 D N 0.657 121.174 120.400 0.196 0.000 2.360 39 D HA 0.042 4.682 4.640 0.000 0.000 0.242 39 D C -0.642 175.793 176.300 0.226 0.000 1.184 39 D CA -0.210 53.895 54.000 0.175 0.000 0.930 39 D CB 0.815 41.684 40.800 0.115 0.000 1.161 39 D HN 0.300 nan 8.370 nan 0.000 0.447 40 F N 0.151 120.155 119.950 0.090 0.000 2.518 40 F HA 0.455 4.982 4.527 0.000 0.000 0.323 40 F C -2.363 173.483 175.800 0.078 0.000 1.129 40 F CA -1.641 56.409 58.000 0.083 0.000 0.920 40 F CB 1.587 40.655 39.000 0.114 0.000 1.160 40 F HN 0.206 nan 8.300 nan 0.000 0.440 41 P HA 0.724 nan 4.420 nan 0.000 0.312 41 P C -0.072 177.028 177.300 -0.332 0.000 1.308 41 P CA 0.145 62.729 63.100 -0.859 0.000 0.743 41 P CB 0.420 31.629 31.700 -0.819 0.000 1.364 42 G N -0.571 108.046 108.800 -0.304 0.000 2.632 42 G HA2 -0.124 3.836 3.960 0.000 0.000 0.224 42 G HA3 -0.124 3.836 3.960 0.000 0.000 0.224 42 G C -1.233 173.595 174.900 -0.120 0.000 1.341 42 G CA -0.502 44.497 45.100 -0.168 0.000 0.880 42 G HN 0.681 nan 8.290 nan 0.000 0.566 43 K N -0.189 120.157 120.400 -0.089 0.000 2.507 43 K HA 0.590 4.910 4.320 0.000 0.000 0.252 43 K C 0.294 176.907 176.600 0.022 0.000 0.943 43 K CA -0.599 55.645 56.287 -0.072 0.000 0.808 43 K CB 2.390 34.782 32.500 -0.178 0.000 1.142 43 K HN 0.532 nan 8.250 nan 0.000 0.426 44 K N 2.175 122.642 120.400 0.111 0.000 2.538 44 K HA 0.154 4.474 4.320 0.000 0.000 0.215 44 K C -0.511 176.156 176.600 0.113 0.000 1.345 44 K CA -0.137 56.202 56.287 0.087 0.000 0.985 44 K CB 0.553 33.089 32.500 0.060 0.000 1.116 44 K HN 0.464 nan 8.250 nan 0.000 0.582 45 L N 1.139 122.489 121.223 0.212 0.000 3.523 45 L HA -0.163 4.177 4.340 0.000 0.000 0.668 45 L C 0.378 177.235 176.870 -0.022 0.000 1.211 45 L CA 0.470 55.352 54.840 0.071 0.000 1.096 45 L CB -1.165 40.948 42.059 0.089 0.000 1.617 45 L HN 0.120 nan 8.230 nan 0.000 0.873 46 V N 1.008 120.893 119.914 -0.049 0.000 2.667 46 V HA 0.179 4.299 4.120 0.000 0.000 0.252 46 V C 0.957 177.022 176.094 -0.047 0.000 1.065 46 V CA 1.423 63.708 62.300 -0.026 0.000 1.083 46 V CB -0.047 31.774 31.823 -0.002 0.000 0.692 46 V HN 0.660 nan 8.190 nan 0.000 0.468 47 L N 0.363 121.516 121.223 -0.116 0.000 2.639 47 L HA 0.490 4.830 4.340 0.000 0.000 0.264 47 L C 0.551 177.315 176.870 -0.177 0.000 0.948 47 L CA 0.522 55.300 54.840 -0.104 0.000 0.912 47 L CB 2.013 44.038 42.059 -0.055 0.000 1.294 47 L HN 0.152 nan 8.230 nan 0.000 0.412 48 S N 0.273 115.899 115.700 -0.123 0.000 2.505 48 S HA 0.124 4.594 4.470 0.000 0.000 0.216 48 S C 0.863 175.409 174.600 -0.090 0.000 1.018 48 S CA 0.336 58.461 58.200 -0.125 0.000 0.911 48 S CB 0.121 63.275 63.200 -0.077 0.000 0.818 48 S HN 0.706 nan 8.310 nan 0.000 0.497 49 S N 1.630 117.293 115.700 -0.062 0.000 2.618 49 S HA 0.340 4.810 4.470 0.000 0.000 0.254 49 S C -0.239 174.334 174.600 -0.046 0.000 1.284 49 S CA -0.255 57.921 58.200 -0.041 0.000 0.975 49 S CB -0.316 62.874 63.200 -0.017 0.000 1.022 49 S HN 0.364 nan 8.310 nan 0.000 0.571 50 E N 0.024 120.210 120.200 -0.024 0.000 3.375 50 E HA -0.129 4.221 4.350 0.000 0.000 0.160 50 E C -0.899 175.672 176.600 -0.047 0.000 1.617 50 E CA 0.769 57.159 56.400 -0.017 0.000 0.787 50 E CB -1.774 27.933 29.700 0.011 0.000 1.087 50 E HN 0.838 nan 8.360 nan 0.000 0.375 51 K N -0.501 119.873 120.400 -0.043 0.000 2.378 51 K HA 0.792 5.112 4.320 0.000 0.000 0.252 51 K C -0.284 176.292 176.600 -0.041 0.000 0.931 51 K CA -0.762 55.489 56.287 -0.059 0.000 0.794 51 K CB 2.937 35.400 32.500 -0.062 0.000 1.181 51 K HN 0.097 nan 8.250 nan 0.000 0.425 52 T N 0.803 115.330 114.554 -0.046 0.000 2.812 52 T HA 0.506 4.856 4.350 0.000 0.000 0.294 52 T C -1.585 173.105 174.700 -0.017 0.000 1.159 52 T CA -0.678 61.409 62.100 -0.023 0.000 1.008 52 T CB 1.695 70.557 68.868 -0.009 0.000 1.289 52 T HN 0.375 nan 8.240 nan 0.000 0.514 53 V N 3.255 123.170 119.914 0.000 0.000 2.540 53 V HA 0.485 4.605 4.120 0.000 0.000 0.302 53 V C -0.260 175.852 176.094 0.030 0.000 1.035 53 V CA -0.881 61.429 62.300 0.017 0.000 0.873 53 V CB 1.613 33.443 31.823 0.011 0.000 0.992 53 V HN 0.727 nan 8.190 nan 0.000 0.428 54 L N 4.342 125.609 121.223 0.073 0.000 2.342 54 L HA 0.344 4.684 4.340 0.000 0.000 0.285 54 L C 0.443 177.313 176.870 0.000 0.000 1.095 54 L CA 0.094 54.981 54.840 0.078 0.000 0.843 54 L CB 0.277 42.459 42.059 0.205 0.000 1.201 54 L HN 0.612 nan 8.230 nan 0.000 0.445 55 T N 4.193 118.690 114.554 -0.096 0.000 2.856 55 T HA 0.175 4.526 4.350 0.000 0.000 0.292 55 T C -1.586 172.876 174.700 -0.398 0.000 0.980 55 T CA -1.152 60.848 62.100 -0.167 0.000 1.091 55 T CB 1.620 70.429 68.868 -0.100 0.000 0.936 55 T HN 0.329 nan 8.240 nan 0.000 0.503 56 P HA -0.032 nan 4.420 nan 0.000 0.223 56 P C 1.026 178.154 177.300 -0.288 0.000 1.144 56 P CA 0.400 63.160 63.100 -0.567 0.000 0.783 56 P CB 0.053 31.640 31.700 -0.189 0.000 0.771 57 A N -0.816 121.888 122.820 -0.193 0.000 2.206 57 A HA -0.003 4.317 4.320 0.000 0.000 0.211 57 A C 1.583 179.098 177.584 -0.115 0.000 1.158 57 A CA 1.521 53.488 52.037 -0.117 0.000 0.761 57 A CB -1.080 17.874 19.000 -0.076 0.000 0.801 57 A HN 0.306 nan 8.150 nan 0.000 0.473 58 T N -4.575 109.884 114.554 -0.159 0.000 3.252 58 T HA 0.226 4.576 4.350 0.000 0.000 0.286 58 T C 0.183 174.797 174.700 -0.143 0.000 1.013 58 T CA 0.040 62.068 62.100 -0.120 0.000 0.914 58 T CB -0.419 68.396 68.868 -0.088 0.000 1.131 58 T HN 0.275 nan 8.240 nan 0.000 0.529 59 N N 2.810 121.397 118.700 -0.189 0.000 2.708 59 N HA -0.207 4.533 4.740 0.000 0.000 0.251 59 N C -0.271 175.197 175.510 -0.070 0.000 1.123 59 N CA 1.398 54.351 53.050 -0.162 0.000 0.739 59 N CB -2.123 36.240 38.487 -0.206 0.000 1.113 59 N HN 0.819 nan 8.380 nan 0.000 0.561 60 H N -3.212 115.802 119.070 -0.093 0.000 2.826 60 H HA -0.186 4.370 4.556 0.000 0.000 0.306 60 H C -0.093 175.199 175.328 -0.059 0.000 1.235 60 H CA 1.272 57.283 56.048 -0.062 0.000 1.150 60 H CB -1.625 28.090 29.762 -0.078 0.000 1.409 60 H HN 0.429 nan 8.280 nan 0.000 0.420 61 M N 0.693 120.301 119.600 0.013 0.000 2.227 61 M HA 0.434 4.914 4.480 0.000 0.000 0.335 61 M C 1.072 177.396 176.300 0.039 0.000 1.053 61 M CA -0.128 55.188 55.300 0.026 0.000 0.973 61 M CB 2.160 34.757 32.600 -0.005 0.000 1.623 61 M HN 0.316 nan 8.290 nan 0.000 0.434 62 G N 1.542 110.385 108.800 0.072 0.000 2.521 62 G HA2 0.487 4.447 3.960 0.000 0.000 0.323 62 G HA3 0.487 4.447 3.960 0.000 0.000 0.323 62 G C -0.894 174.039 174.900 0.055 0.000 1.211 62 G CA -0.367 44.770 45.100 0.062 0.000 0.979 62 G HN 0.663 nan 8.290 nan 0.000 0.490 63 N N -0.533 118.193 118.700 0.044 0.000 2.699 63 N HA 0.245 4.985 4.740 0.000 0.000 0.271 63 N C -1.170 174.368 175.510 0.047 0.000 1.216 63 N CA -0.368 52.711 53.050 0.048 0.000 0.844 63 N CB 1.656 40.164 38.487 0.035 0.000 1.462 63 N HN 0.566 nan 8.380 nan 0.000 0.555 64 V N 0.657 120.612 119.914 0.069 0.000 2.378 64 V HA 0.668 4.788 4.120 0.000 0.000 0.288 64 V C 0.425 176.606 176.094 0.145 0.000 1.016 64 V CA -0.710 61.641 62.300 0.086 0.000 0.840 64 V CB 0.772 32.636 31.823 0.067 0.000 0.994 64 V HN 0.563 nan 8.190 nan 0.000 0.431 65 T N 3.494 118.106 114.554 0.096 0.000 2.733 65 T HA 0.746 5.096 4.350 0.000 0.000 0.294 65 T C -0.510 174.244 174.700 0.090 0.000 0.956 65 T CA -0.388 61.739 62.100 0.046 0.000 0.987 65 T CB 0.453 69.314 68.868 -0.011 0.000 0.920 65 T HN 0.959 nan 8.240 nan 0.000 0.470 66 F N 0.220 120.157 119.950 -0.021 0.000 2.594 66 F HA 0.910 5.437 4.527 0.000 0.000 0.335 66 F C -0.572 175.213 175.800 -0.025 0.000 1.058 66 F CA -1.116 56.867 58.000 -0.027 0.000 0.981 66 F CB 1.501 40.479 39.000 -0.037 0.000 1.289 66 F HN 0.431 nan 8.300 nan 0.000 0.490 67 T N 2.423 117.046 114.554 0.116 0.000 2.991 67 T HA 0.468 4.818 4.350 0.000 0.000 0.303 67 T C -0.687 174.085 174.700 0.120 0.000 1.015 67 T CA -0.423 61.681 62.100 0.007 0.000 1.007 67 T CB 1.259 70.114 68.868 -0.022 0.000 1.034 67 T HN 0.562 nan 8.240 nan 0.000 0.446 68 I N 5.054 125.687 120.570 0.104 0.000 2.312 68 I HA 0.277 4.447 4.170 0.000 0.000 0.291 68 I C -1.955 174.188 176.117 0.042 0.000 1.031 68 I CA -2.148 59.214 61.300 0.103 0.000 1.293 68 I CB 0.917 38.989 38.000 0.119 0.000 1.403 68 I HN 0.326 nan 8.210 nan 0.000 0.484 69 P HA 0.100 nan 4.420 nan 0.000 0.285 69 P C 0.179 177.489 177.300 0.016 0.000 1.282 69 P CA -0.076 63.036 63.100 0.019 0.000 0.778 69 P CB 0.735 32.446 31.700 0.018 0.000 1.222 70 A N -0.156 122.671 122.820 0.012 0.000 2.383 70 A HA 0.110 4.430 4.320 0.000 0.000 0.225 70 A C 0.223 177.817 177.584 0.017 0.000 1.946 70 A CA 0.584 52.628 52.037 0.013 0.000 0.739 70 A CB -1.400 17.607 19.000 0.011 0.000 1.405 70 A HN 0.542 nan 8.150 nan 0.000 0.548 71 N N 0.187 118.897 118.700 0.017 0.000 2.716 71 N HA -0.157 4.583 4.740 0.000 0.000 0.250 71 N C -0.022 175.500 175.510 0.020 0.000 1.033 71 N CA 1.057 54.118 53.050 0.018 0.000 0.727 71 N CB -1.280 37.218 38.487 0.018 0.000 0.950 71 N HN 0.611 nan 8.380 nan 0.000 0.541 79 G N 0.539 109.338 108.800 -0.003 0.000 2.428 79 G HA2 -0.165 3.795 3.960 0.000 0.000 0.199 79 G HA3 -0.165 3.795 3.960 0.000 0.000 0.199 79 G C -0.431 174.471 174.900 0.004 0.000 1.005 79 G CA -0.347 44.751 45.100 -0.004 0.000 0.671 79 G HN 0.282 nan 8.290 nan 0.000 0.485 80 R N 1.648 122.159 120.500 0.018 0.000 2.254 80 R HA 0.388 4.728 4.340 0.000 0.000 0.318 80 R C -0.124 176.190 176.300 0.024 0.000 1.031 80 R CA -0.738 55.386 56.100 0.040 0.000 0.905 80 R CB 0.498 30.840 30.300 0.069 0.000 1.050 80 R HN 0.326 nan 8.270 nan 0.000 0.456 81 N N 2.860 121.559 118.700 -0.001 0.000 2.345 81 N HA -0.039 4.702 4.740 0.000 0.000 0.243 81 N C -0.466 174.945 175.510 -0.165 0.000 1.246 81 N CA 0.633 53.593 53.050 -0.150 0.000 0.863 81 N CB 0.614 38.924 38.487 -0.294 0.000 1.096 81 N HN 0.332 nan 8.380 nan 0.000 0.446 82 K N 0.945 121.177 120.400 -0.280 0.000 2.207 82 K HA 0.482 4.802 4.320 0.000 0.000 0.255 82 K C -0.709 175.679 176.600 -0.354 0.000 0.941 82 K CA -0.414 55.793 56.287 -0.132 0.000 0.825 82 K CB 1.134 33.620 32.500 -0.025 0.000 1.119 82 K HN 0.340 nan 8.250 nan 0.000 0.430 83 F N 0.581 120.561 119.950 0.050 0.000 2.575 83 F HA 0.517 5.044 4.527 0.000 0.000 0.330 83 F C 0.094 175.930 175.800 0.061 0.000 1.056 83 F CA -1.092 56.901 58.000 -0.011 0.000 0.964 83 F CB 1.673 40.561 39.000 -0.186 0.000 1.258 83 F HN 0.172 nan 8.300 nan 0.000 0.484 84 V N -1.949 118.092 119.914 0.213 0.000 3.001 84 V HA 0.745 4.865 4.120 0.000 0.000 0.314 84 V C -0.814 175.362 176.094 0.136 0.000 1.099 84 V CA -0.699 61.707 62.300 0.177 0.000 0.989 84 V CB 1.598 33.482 31.823 0.103 0.000 1.040 84 V HN 0.711 nan 8.190 nan 0.000 0.434 85 T N 2.462 117.115 114.554 0.165 0.000 2.821 85 T HA 0.517 4.867 4.350 0.000 0.000 0.307 85 T C -0.213 174.521 174.700 0.058 0.000 1.034 85 T CA -0.234 61.948 62.100 0.136 0.000 0.953 85 T CB 0.901 69.920 68.868 0.251 0.000 0.968 85 T HN 0.692 nan 8.240 nan 0.000 0.462 86 V N 4.198 124.104 119.914 -0.012 0.000 2.555 86 V HA 0.297 4.417 4.120 0.000 0.000 0.286 86 V C 0.369 176.433 176.094 -0.050 0.000 1.044 86 V CA -0.270 61.977 62.300 -0.089 0.000 1.026 86 V CB 1.154 32.907 31.823 -0.117 0.000 0.981 86 V HN 0.819 nan 8.190 nan 0.000 0.480 87 Q N 3.555 123.308 119.800 -0.079 0.000 2.397 87 Q HA 0.642 4.982 4.340 0.000 0.000 0.260 87 Q C -0.842 175.084 176.000 -0.122 0.000 1.002 87 Q CA -0.533 55.242 55.803 -0.048 0.000 0.716 87 Q CB 1.529 30.287 28.738 0.033 0.000 1.258 87 Q HN 0.890 nan 8.270 nan 0.000 0.477 88 A N 3.133 125.865 122.820 -0.147 0.000 2.249 88 A HA 0.560 4.880 4.320 0.000 0.000 0.314 88 A C -0.457 176.894 177.584 -0.387 0.000 1.290 88 A CA -0.375 51.468 52.037 -0.323 0.000 0.893 88 A CB 1.081 19.854 19.000 -0.379 0.000 1.165 88 A HN 0.609 nan 8.150 nan 0.000 0.530 89 T N 3.326 117.637 114.554 -0.404 0.000 2.753 89 T HA 0.380 4.731 4.350 0.000 0.000 0.297 89 T C -0.603 173.843 174.700 -0.423 0.000 0.981 89 T CA 0.227 62.153 62.100 -0.290 0.000 0.956 89 T CB -0.403 68.369 68.868 -0.159 0.000 0.936 89 T HN 0.365 nan 8.240 nan 0.000 0.463 90 F N 3.374 123.174 119.950 -0.251 0.000 2.605 90 F HA 0.440 4.967 4.527 0.000 0.000 0.352 90 F C 1.629 177.226 175.800 -0.338 0.000 1.236 90 F CA -0.160 57.614 58.000 -0.375 0.000 1.267 90 F CB -0.337 38.180 39.000 -0.805 0.000 1.632 90 F HN 0.895 nan 8.300 nan 0.000 0.639 91 G N 1.346 110.091 108.800 -0.091 0.000 5.155 91 G HA2 -0.381 3.579 3.960 0.000 0.000 0.239 91 G HA3 -0.381 3.579 3.960 0.000 0.000 0.239 91 G C 1.106 175.975 174.900 -0.050 0.000 1.409 91 G CA 0.890 45.956 45.100 -0.057 0.000 0.927 91 G HN 0.430 nan 8.290 nan 0.000 0.710 92 T N -0.171 114.353 114.554 -0.049 0.000 3.177 92 T HA 0.292 4.642 4.350 0.000 0.000 0.262 92 T C 0.713 175.401 174.700 -0.020 0.000 0.959 92 T CA 0.884 62.968 62.100 -0.026 0.000 0.996 92 T CB 0.380 69.245 68.868 -0.006 0.000 1.185 92 T HN 0.567 nan 8.240 nan 0.000 0.486 93 Q N 3.075 122.858 119.800 -0.028 0.000 2.271 93 Q HA 0.364 4.704 4.340 0.000 0.000 0.273 93 Q C -0.748 175.277 176.000 0.042 0.000 1.051 93 Q CA 0.028 55.838 55.803 0.011 0.000 0.901 93 Q CB 0.603 29.359 28.738 0.030 0.000 1.174 93 Q HN 0.226 nan 8.270 nan 0.000 0.385 94 V N 5.551 125.496 119.914 0.052 0.000 2.472 94 V HA 0.687 4.807 4.120 0.000 0.000 0.290 94 V C -1.125 175.027 176.094 0.096 0.000 1.037 94 V CA -0.557 61.775 62.300 0.054 0.000 0.908 94 V CB 1.747 33.578 31.823 0.013 0.000 0.985 94 V HN 0.628 nan 8.190 nan 0.000 0.454 95 V N 7.406 127.397 119.914 0.128 0.000 2.482 95 V HA 0.555 4.676 4.120 0.000 0.000 0.295 95 V C -0.380 175.753 176.094 0.065 0.000 1.026 95 V CA -0.571 61.804 62.300 0.126 0.000 0.856 95 V CB 1.670 33.627 31.823 0.223 0.000 1.001 95 V HN 1.018 nan 8.190 nan 0.000 0.424 96 E N 3.648 123.870 120.200 0.037 0.000 2.312 96 E HA 0.899 5.249 4.350 0.000 0.000 0.267 96 E C -1.185 175.418 176.600 0.006 0.000 0.894 96 E CA -1.329 55.081 56.400 0.017 0.000 0.773 96 E CB 3.240 32.957 29.700 0.028 0.000 1.241 96 E HN 0.363 nan 8.360 nan 0.000 0.432 97 K N 0.921 121.317 120.400 -0.007 0.000 2.542 97 K HA 0.331 4.651 4.320 0.000 0.000 0.259 97 K C -1.983 174.600 176.600 -0.028 0.000 0.932 97 K CA -0.710 55.563 56.287 -0.023 0.000 0.820 97 K CB 2.310 34.791 32.500 -0.032 0.000 1.345 97 K HN 0.445 nan 8.250 nan 0.000 0.432 98 V N 3.958 123.832 119.914 -0.065 0.000 2.439 98 V HA 0.558 4.678 4.120 0.000 0.000 0.282 98 V C -0.467 175.607 176.094 -0.032 0.000 1.039 98 V CA -0.711 61.528 62.300 -0.102 0.000 0.913 98 V CB 1.369 32.995 31.823 -0.329 0.000 0.983 98 V HN 0.540 nan 8.190 nan 0.000 0.460 99 V N 5.256 125.202 119.914 0.054 0.000 2.769 99 V HA 0.461 4.581 4.120 0.000 0.000 0.312 99 V C -0.236 175.979 176.094 0.202 0.000 1.061 99 V CA -0.867 61.500 62.300 0.112 0.000 0.931 99 V CB 1.987 33.855 31.823 0.076 0.000 1.010 99 V HN 0.696 nan 8.190 nan 0.000 0.433 100 L N 4.260 125.588 121.223 0.176 0.000 2.439 100 L HA 0.516 4.856 4.340 0.000 0.000 0.269 100 L C -0.300 176.492 176.870 -0.130 0.000 1.179 100 L CA 0.651 55.446 54.840 -0.075 0.000 0.828 100 L CB 1.184 43.207 42.059 -0.061 0.000 1.106 100 L HN 0.465 nan 8.230 nan 0.000 0.467 101 V N 3.685 123.444 119.914 -0.259 0.000 2.604 101 V HA 0.513 4.633 4.120 0.000 0.000 0.305 101 V C -0.177 175.828 176.094 -0.149 0.000 1.043 101 V CA -0.610 61.602 62.300 -0.145 0.000 0.888 101 V CB 1.668 33.430 31.823 -0.101 0.000 0.995 101 V HN 0.873 nan 8.190 nan 0.000 0.429 102 S N 3.499 119.143 115.700 -0.094 0.000 2.525 102 S HA 0.486 4.956 4.470 0.000 0.000 0.290 102 S C 0.583 175.156 174.600 -0.045 0.000 1.152 102 S CA -0.720 57.438 58.200 -0.071 0.000 1.072 102 S CB 1.032 64.202 63.200 -0.050 0.000 1.027 102 S HN 0.566 nan 8.310 nan 0.000 0.500 103 L N 3.260 124.462 121.223 -0.034 0.000 2.554 103 L HA 0.183 4.523 4.340 0.000 0.000 0.226 103 L C 0.902 177.776 176.870 0.007 0.000 1.137 103 L CA 0.906 55.737 54.840 -0.016 0.000 0.863 103 L CB -1.101 40.948 42.059 -0.018 0.000 0.985 103 L HN 0.740 nan 8.230 nan 0.000 0.451 104 Q N 0.020 119.834 119.800 0.023 0.000 2.262 104 Q HA 0.013 4.353 4.340 0.000 0.000 0.272 104 Q C 1.280 177.312 176.000 0.055 0.000 1.076 104 Q CA 0.163 55.993 55.803 0.046 0.000 0.905 104 Q CB 0.749 29.535 28.738 0.081 0.000 1.182 104 Q HN 0.240 nan 8.270 nan 0.000 0.390 105 S N 1.447 117.094 115.700 -0.088 0.000 2.486 105 S HA 0.316 4.786 4.470 0.000 0.000 0.220 105 S C 0.821 175.116 174.600 -0.507 0.000 1.011 105 S CA 0.227 58.302 58.200 -0.208 0.000 0.921 105 S CB 0.545 63.517 63.200 -0.378 0.000 0.785 105 S HN 0.758 nan 8.310 nan 0.000 0.517 106 G N -0.449 107.930 108.800 -0.700 0.000 2.356 106 G HA2 0.463 4.423 3.960 0.000 0.000 0.281 106 G HA3 0.463 4.423 3.960 0.000 0.000 0.281 106 G C -2.068 172.438 174.900 -0.657 0.000 1.246 106 G CA -0.904 43.622 45.100 -0.957 0.000 0.889 106 G HN 0.173 nan 8.290 nan 0.000 0.486 107 Y N -0.890 119.315 120.300 -0.157 0.000 2.598 107 Y HA 0.842 5.392 4.550 0.000 0.000 0.340 107 Y C 0.210 175.581 175.900 -0.883 0.000 1.038 107 Y CA -1.011 56.796 58.100 -0.487 0.000 1.100 107 Y CB 2.205 40.377 38.460 -0.481 0.000 1.281 107 Y HN 0.389 nan 8.280 nan 0.000 0.488 108 L N 2.290 122.457 121.223 -1.759 0.000 2.438 108 L HA 0.511 4.851 4.340 0.000 0.000 0.270 108 L C -1.730 174.515 176.870 -1.041 0.000 0.972 108 L CA -0.529 53.578 54.840 -1.220 0.000 0.831 108 L CB 1.708 43.101 42.059 -1.110 0.000 1.273 108 L HN 0.478 nan 8.230 nan 0.000 0.405 109 F N 3.711 123.600 119.950 -0.100 0.000 2.427 109 F HA 0.532 5.059 4.527 0.000 0.000 0.348 109 F C 0.164 176.078 175.800 0.191 0.000 1.125 109 F CA -0.488 57.560 58.000 0.079 0.000 0.989 109 F CB 1.430 40.498 39.000 0.113 0.000 1.165 109 F HN 0.156 nan 8.300 nan 0.000 0.442 110 I N 3.278 124.022 120.570 0.290 0.000 2.353 110 I HA 0.343 4.513 4.170 0.000 0.000 0.293 110 I C -0.414 175.862 176.117 0.265 0.000 0.992 110 I CA -0.573 60.859 61.300 0.220 0.000 1.268 110 I CB 1.666 39.763 38.000 0.161 0.000 1.387 110 I HN 0.575 nan 8.210 nan 0.000 0.478 111 Q N 5.650 125.590 119.800 0.233 0.000 2.310 111 Q HA 0.418 4.758 4.340 0.000 0.000 0.270 111 Q C -1.153 174.964 176.000 0.196 0.000 1.025 111 Q CA -0.674 55.277 55.803 0.246 0.000 0.772 111 Q CB 2.060 31.005 28.738 0.345 0.000 1.253 111 Q HN 0.791 nan 8.270 nan 0.000 0.450 112 T N 0.204 114.878 114.554 0.200 0.000 2.823 112 T HA 0.200 4.551 4.350 0.000 0.000 0.279 112 T C 0.960 175.779 174.700 0.198 0.000 0.998 112 T CA -0.491 61.728 62.100 0.199 0.000 0.994 112 T CB 1.212 70.201 68.868 0.202 0.000 0.960 112 T HN 0.689 nan 8.240 nan 0.000 0.448 113 D N 3.006 123.518 120.400 0.187 0.000 2.103 113 D HA -0.151 4.490 4.640 0.000 0.000 0.190 113 D C 0.459 176.795 176.300 0.060 0.000 0.997 113 D CA 1.341 55.418 54.000 0.128 0.000 0.833 113 D CB -0.010 40.855 40.800 0.109 0.000 0.961 113 D HN 0.592 nan 8.370 nan 0.000 0.447 114 K N -0.827 119.565 120.400 -0.013 0.000 2.210 114 K HA 0.342 4.662 4.320 0.000 0.000 0.236 114 K C 1.253 177.742 176.600 -0.185 0.000 1.016 114 K CA 0.018 56.121 56.287 -0.308 0.000 0.913 114 K CB 1.526 33.591 32.500 -0.726 0.000 1.141 114 K HN 0.146 nan 8.250 nan 0.000 0.462 115 T N -2.403 111.998 114.554 -0.254 0.000 3.015 115 T HA 0.243 4.593 4.350 0.000 0.000 0.250 115 T C 0.771 175.474 174.700 0.006 0.000 1.057 115 T CA -0.017 62.068 62.100 -0.025 0.000 1.066 115 T CB 0.133 68.989 68.868 -0.021 0.000 0.959 115 T HN 0.467 nan 8.240 nan 0.000 0.488 116 I N 0.370 120.790 120.570 -0.249 0.000 2.686 116 I HA 0.609 4.779 4.170 0.000 0.000 0.295 116 I C -1.891 174.132 176.117 -0.156 0.000 1.114 116 I CA -1.711 59.534 61.300 -0.092 0.000 1.038 116 I CB 2.222 40.060 38.000 -0.269 0.000 1.238 116 I HN 0.092 nan 8.210 nan 0.000 0.420 117 Y N 3.103 123.597 120.300 0.323 0.000 2.536 117 Y HA 0.519 5.069 4.550 0.000 0.000 0.347 117 Y C 0.157 176.181 175.900 0.206 0.000 1.000 117 Y CA -0.764 57.497 58.100 0.269 0.000 1.051 117 Y CB 2.307 40.849 38.460 0.137 0.000 1.259 117 Y HN 0.501 nan 8.280 nan 0.000 0.468 118 T N -0.603 114.020 114.554 0.114 0.000 2.867 118 T HA 0.451 4.801 4.350 0.000 0.000 0.282 118 T C -2.939 171.723 174.700 -0.063 0.000 1.000 118 T CA -2.803 59.233 62.100 -0.107 0.000 1.042 118 T CB 1.413 70.059 68.868 -0.369 0.000 0.973 118 T HN 0.179 nan 8.240 nan 0.000 0.465 119 P HA 0.285 nan 4.420 nan 0.000 0.260 119 P C 1.065 178.299 177.300 -0.109 0.000 1.207 119 P CA 0.939 63.987 63.100 -0.086 0.000 0.780 119 P CB 0.009 31.682 31.700 -0.045 0.000 0.789 120 G N 1.982 110.694 108.800 -0.148 0.000 2.480 120 G HA2 -0.169 3.791 3.960 0.000 0.000 0.193 120 G HA3 -0.169 3.791 3.960 0.000 0.000 0.193 120 G C 0.421 175.232 174.900 -0.147 0.000 1.004 120 G CA 0.187 45.201 45.100 -0.142 0.000 0.696 120 G HN 0.665 nan 8.290 nan 0.000 0.478 121 S N -0.012 115.611 115.700 -0.129 0.000 2.686 121 S HA 0.743 5.213 4.470 0.000 0.000 0.270 121 S C 0.012 174.523 174.600 -0.149 0.000 1.194 121 S CA 0.505 58.652 58.200 -0.089 0.000 0.990 121 S CB 1.707 64.910 63.200 0.006 0.000 1.029 121 S HN 0.521 nan 8.310 nan 0.000 0.560 122 T N 0.947 115.446 114.554 -0.092 0.000 2.823 122 T HA 0.542 4.892 4.350 0.000 0.000 0.279 122 T C -0.773 173.867 174.700 -0.100 0.000 0.998 122 T CA -0.595 61.420 62.100 -0.143 0.000 0.994 122 T CB 1.333 70.141 68.868 -0.100 0.000 0.960 122 T HN 0.511 nan 8.240 nan 0.000 0.448 123 V N 4.761 124.535 119.914 -0.233 0.000 2.370 123 V HA 0.382 4.502 4.120 0.000 0.000 0.279 123 V C -0.167 175.907 176.094 -0.033 0.000 1.029 123 V CA -0.715 61.373 62.300 -0.353 0.000 0.870 123 V CB 0.815 32.144 31.823 -0.823 0.000 0.984 123 V HN 0.694 nan 8.190 nan 0.000 0.451 124 L N 7.311 128.559 121.223 0.042 0.000 2.262 124 L HA 0.567 4.907 4.340 0.000 0.000 0.288 124 L C -0.707 176.216 176.870 0.087 0.000 1.035 124 L CA -0.555 54.304 54.840 0.032 0.000 0.820 124 L CB 0.438 42.508 42.059 0.018 0.000 1.204 124 L HN 0.767 nan 8.230 nan 0.000 0.424 125 Y N 1.221 121.468 120.300 -0.088 0.000 2.442 125 Y HA 0.758 5.308 4.550 0.000 0.000 0.344 125 Y C -0.683 175.144 175.900 -0.122 0.000 0.976 125 Y CA -1.274 56.773 58.100 -0.089 0.000 1.040 125 Y CB 1.337 39.732 38.460 -0.109 0.000 1.228 125 Y HN 0.381 nan 8.280 nan 0.000 0.451 126 R N 3.193 123.620 120.500 -0.120 0.000 2.637 126 R HA 0.639 4.979 4.340 0.000 0.000 0.291 126 R C -1.656 174.414 176.300 -0.384 0.000 0.963 126 R CA -1.086 54.807 56.100 -0.345 0.000 0.901 126 R CB 2.170 32.184 30.300 -0.476 0.000 1.160 126 R HN 0.707 nan 8.270 nan 0.000 0.457 127 I N 3.333 123.664 120.570 -0.397 0.000 2.355 127 I HA 0.250 4.420 4.170 0.000 0.000 0.288 127 I C -0.733 175.168 176.117 -0.359 0.000 0.999 127 I CA -0.199 60.931 61.300 -0.283 0.000 1.163 127 I CB 0.794 38.706 38.000 -0.148 0.000 1.316 127 I HN 0.363 nan 8.210 nan 0.000 0.454 128 F N 4.065 124.028 119.950 0.022 0.000 2.424 128 F HA 0.434 4.961 4.527 0.000 0.000 0.356 128 F C 0.924 176.734 175.800 0.017 0.000 1.110 128 F CA -0.711 57.319 58.000 0.049 0.000 1.161 128 F CB 0.983 40.062 39.000 0.131 0.000 1.115 128 F HN 0.395 nan 8.300 nan 0.000 0.507 129 T N 1.911 116.570 114.554 0.174 0.000 2.770 129 T HA 0.724 5.074 4.350 0.000 0.000 0.297 129 T C -0.529 174.291 174.700 0.200 0.000 0.997 129 T CA -0.658 61.529 62.100 0.146 0.000 0.949 129 T CB 0.614 69.550 68.868 0.113 0.000 0.941 129 T HN 0.566 nan 8.240 nan 0.000 0.457 130 V N 1.149 121.190 119.914 0.212 0.000 3.160 130 V HA 0.789 4.909 4.120 0.000 0.000 0.310 130 V C -0.537 175.603 176.094 0.076 0.000 1.181 130 V CA -1.415 60.981 62.300 0.160 0.000 1.047 130 V CB 1.849 33.793 31.823 0.202 0.000 1.068 130 V HN 0.960 nan 8.190 nan 0.000 0.441 131 N N -0.310 118.409 118.700 0.031 0.000 2.531 131 N HA 0.288 5.028 4.740 0.000 0.000 0.301 131 N C 0.665 176.147 175.510 -0.048 0.000 1.310 131 N CA 0.212 53.209 53.050 -0.088 0.000 0.949 131 N CB -0.464 38.014 38.487 -0.014 0.000 1.111 131 N HN 0.804 nan 8.380 nan 0.000 0.565 132 H N -1.442 117.628 119.070 -0.001 0.000 2.521 132 H HA 0.152 4.708 4.556 0.000 0.000 0.286 132 H C 0.469 175.945 175.328 0.247 0.000 1.034 132 H CA 1.106 57.233 56.048 0.131 0.000 1.278 132 H CB 0.130 29.906 29.762 0.023 0.000 1.386 132 H HN 0.480 nan 8.280 nan 0.000 0.567 133 K N 0.632 121.184 120.400 0.253 0.000 2.410 133 K HA 0.158 4.478 4.320 0.000 0.000 0.200 133 K C 0.126 176.837 176.600 0.185 0.000 1.023 133 K CA 0.067 56.474 56.287 0.200 0.000 1.149 133 K CB 0.700 33.277 32.500 0.128 0.000 0.859 133 K HN 0.163 nan 8.250 nan 0.000 0.514 134 L N 0.130 121.479 121.223 0.210 0.000 4.813 134 L HA -0.264 4.076 4.340 0.000 0.000 0.434 134 L C -0.291 176.642 176.870 0.105 0.000 1.106 134 L CA 0.457 55.391 54.840 0.157 0.000 0.991 134 L CB -1.590 40.517 42.059 0.079 0.000 2.005 134 L HN 0.262 nan 8.230 nan 0.000 0.817 135 L N 2.023 123.306 121.223 0.100 0.000 2.326 135 L HA 0.371 4.711 4.340 0.000 0.000 0.278 135 L C -1.438 175.475 176.870 0.073 0.000 1.092 135 L CA -1.731 53.153 54.840 0.073 0.000 0.810 135 L CB 0.575 42.671 42.059 0.062 0.000 1.153 135 L HN -0.209 nan 8.230 nan 0.000 0.439 136 P HA -0.011 nan 4.420 nan 0.000 0.267 136 P C -0.759 176.578 177.300 0.061 0.000 1.201 136 P CA 0.144 63.290 63.100 0.077 0.000 0.775 136 P CB 1.524 33.263 31.700 0.065 0.000 0.854 137 V N 1.131 121.086 119.914 0.069 0.000 3.048 137 V HA 0.651 4.771 4.120 0.000 0.000 0.303 137 V C -0.510 175.622 176.094 0.063 0.000 1.214 137 V CA -0.580 61.750 62.300 0.049 0.000 0.984 137 V CB 2.451 34.287 31.823 0.022 0.000 1.054 137 V HN 0.705 nan 8.190 nan 0.000 0.430 138 G N 5.008 113.834 108.800 0.043 0.000 2.404 138 G HA2 0.698 4.658 3.960 0.000 0.000 0.316 138 G HA3 0.698 4.658 3.960 0.000 0.000 0.316 138 G C -0.512 174.420 174.900 0.053 0.000 1.074 138 G CA -0.396 44.730 45.100 0.044 0.000 0.989 138 G HN 0.572 nan 8.290 nan 0.000 0.430 139 R N 0.998 121.554 120.500 0.093 0.000 2.885 139 R HA 0.560 4.900 4.340 0.000 0.000 0.260 139 R C -0.659 175.699 176.300 0.096 0.000 1.107 139 R CA -0.758 55.414 56.100 0.120 0.000 0.978 139 R CB 1.071 31.515 30.300 0.239 0.000 1.227 139 R HN 0.384 nan 8.270 nan 0.000 0.473 140 T N 1.143 115.753 114.554 0.094 0.000 2.744 140 T HA 0.428 4.778 4.350 0.000 0.000 0.291 140 T C -0.158 174.533 174.700 -0.014 0.000 0.957 140 T CA -0.421 61.694 62.100 0.026 0.000 1.002 140 T CB 0.998 69.875 68.868 0.015 0.000 0.919 140 T HN 0.114 nan 8.240 nan 0.000 0.468 141 V N 5.182 125.029 119.914 -0.110 0.000 2.555 141 V HA 0.482 4.602 4.120 0.000 0.000 0.302 141 V C -0.205 175.718 176.094 -0.285 0.000 1.038 141 V CA -0.948 61.205 62.300 -0.244 0.000 0.887 141 V CB 1.806 33.462 31.823 -0.279 0.000 0.991 141 V HN 0.785 nan 8.190 nan 0.000 0.434 142 M N 4.899 124.200 119.600 -0.498 0.000 2.101 142 M HA 0.501 4.981 4.480 0.000 0.000 0.340 142 M C -0.839 175.210 176.300 -0.419 0.000 1.057 142 M CA -0.438 54.545 55.300 -0.528 0.000 0.984 142 M CB 1.228 33.305 32.600 -0.872 0.000 1.560 142 M HN 0.332 nan 8.290 nan 0.000 0.435 143 V N 4.826 124.628 119.914 -0.188 0.000 2.448 143 V HA 0.486 4.606 4.120 0.000 0.000 0.295 143 V C 0.022 176.088 176.094 -0.046 0.000 1.025 143 V CA -0.747 61.506 62.300 -0.079 0.000 0.859 143 V CB 1.796 33.616 31.823 -0.004 0.000 0.988 143 V HN 0.818 nan 8.190 nan 0.000 0.431 144 N N 4.070 122.757 118.700 -0.022 0.000 2.381 144 N HA 0.706 5.446 4.740 0.000 0.000 0.294 144 N C -1.369 174.084 175.510 -0.095 0.000 1.216 144 N CA -0.797 52.226 53.050 -0.044 0.000 0.803 144 N CB 2.856 41.350 38.487 0.011 0.000 1.372 144 N HN 0.446 nan 8.380 nan 0.000 0.500 145 I N 1.442 121.924 120.570 -0.147 0.000 2.468 145 I HA 0.234 4.404 4.170 0.000 0.000 0.284 145 I C -0.628 175.436 176.117 -0.087 0.000 1.038 145 I CA -0.410 60.799 61.300 -0.151 0.000 1.083 145 I CB 1.748 39.516 38.000 -0.386 0.000 1.223 145 I HN 0.337 nan 8.210 nan 0.000 0.443 146 E N 4.711 124.880 120.200 -0.052 0.000 2.214 146 E HA 0.288 4.638 4.350 0.000 0.000 0.274 146 E C -0.715 175.662 176.600 -0.371 0.000 0.977 146 E CA -0.900 55.408 56.400 -0.155 0.000 0.827 146 E CB 1.521 31.134 29.700 -0.146 0.000 1.130 146 E HN 0.548 nan 8.360 nan 0.000 0.394 147 N N 1.629 119.925 118.700 -0.674 0.000 2.413 147 N HA 0.144 4.884 4.740 0.000 0.000 0.266 147 N C -2.210 172.752 175.510 -0.912 0.000 1.238 147 N CA -1.791 50.404 53.050 -1.426 0.000 0.972 147 N CB -0.206 37.611 38.487 -1.116 0.000 1.210 147 N HN 0.019 nan 8.380 nan 0.000 0.547 148 P HA -0.191 nan 4.420 nan 0.000 0.217 148 P C 0.280 177.392 177.300 -0.314 0.000 1.148 148 P CA 1.756 64.561 63.100 -0.492 0.000 0.834 148 P CB -0.059 31.424 31.700 -0.362 0.000 0.783 149 E N -0.924 119.097 120.200 -0.299 0.000 2.368 149 E HA 0.251 4.601 4.350 0.000 0.000 0.188 149 E C 0.584 177.076 176.600 -0.179 0.000 1.061 149 E CA 0.065 56.349 56.400 -0.193 0.000 0.933 149 E CB -1.023 28.587 29.700 -0.150 0.000 1.091 149 E HN 0.050 nan 8.360 nan 0.000 0.458 150 G N 2.085 110.755 108.800 -0.215 0.000 2.359 150 G HA2 -0.199 3.761 3.960 0.000 0.000 0.298 150 G HA3 -0.199 3.761 3.960 0.000 0.000 0.298 150 G C -0.219 174.593 174.900 -0.147 0.000 1.030 150 G CA 0.130 45.129 45.100 -0.170 0.000 1.149 150 G HN 0.364 nan 8.290 nan 0.000 0.512 151 I N 0.643 121.105 120.570 -0.180 0.000 2.476 151 I HA 0.271 4.441 4.170 0.000 0.000 0.281 151 I C -2.273 173.770 176.117 -0.122 0.000 1.040 151 I CA -2.896 58.326 61.300 -0.130 0.000 1.094 151 I CB 1.786 39.717 38.000 -0.115 0.000 1.219 151 I HN -0.113 nan 8.210 nan 0.000 0.450 152 P HA 0.039 nan 4.420 nan 0.000 0.265 152 P C 0.971 178.240 177.300 -0.053 0.000 1.193 152 P CA 0.223 63.280 63.100 -0.072 0.000 0.765 152 P CB 0.954 32.625 31.700 -0.048 0.000 0.823 153 V N 0.363 120.238 119.914 -0.066 0.000 3.371 153 V HA 0.331 4.451 4.120 0.000 0.000 0.246 153 V C 0.426 176.477 176.094 -0.071 0.000 1.303 153 V CA 0.655 62.941 62.300 -0.022 0.000 1.156 153 V CB -0.256 31.613 31.823 0.077 0.000 0.929 153 V HN 0.361 nan 8.190 nan 0.000 0.459 154 K N 1.970 122.255 120.400 -0.191 0.000 2.468 154 K HA 0.533 4.853 4.320 0.000 0.000 0.252 154 K C -1.653 174.861 176.600 -0.143 0.000 0.932 154 K CA -0.480 55.692 56.287 -0.191 0.000 0.794 154 K CB 1.929 34.187 32.500 -0.404 0.000 1.241 154 K HN 0.446 nan 8.250 nan 0.000 0.428 155 Q N 2.962 122.719 119.800 -0.071 0.000 2.285 155 Q HA 0.421 4.761 4.340 0.000 0.000 0.269 155 Q C -1.422 174.560 176.000 -0.031 0.000 1.030 155 Q CA -0.813 54.962 55.803 -0.046 0.000 0.788 155 Q CB 2.271 30.996 28.738 -0.022 0.000 1.266 155 Q HN 0.491 nan 8.270 nan 0.000 0.438 156 D N 0.978 121.357 120.400 -0.034 0.000 2.414 156 D HA 0.501 5.141 4.640 0.000 0.000 0.241 156 D C -0.690 175.575 176.300 -0.058 0.000 1.008 156 D CA -0.622 53.359 54.000 -0.031 0.000 1.001 156 D CB 1.832 42.623 40.800 -0.015 0.000 1.277 156 D HN 0.467 nan 8.370 nan 0.000 0.538 157 S N 0.804 116.471 115.700 -0.055 0.000 2.440 157 S HA 0.323 4.793 4.470 0.000 0.000 0.142 157 S C -1.239 173.325 174.600 -0.060 0.000 1.578 157 S CA -0.552 57.606 58.200 -0.071 0.000 1.260 157 S CB -0.324 62.843 63.200 -0.054 0.000 1.407 157 S HN 0.278 nan 8.310 nan 0.000 0.392 158 L N 2.173 123.354 121.223 -0.070 0.000 2.400 158 L HA 0.810 5.151 4.340 0.000 0.000 0.264 158 L C 0.054 176.888 176.870 -0.060 0.000 1.061 158 L CA 0.096 54.899 54.840 -0.062 0.000 0.799 158 L CB 1.855 43.871 42.059 -0.070 0.000 1.240 158 L HN 0.422 nan 8.230 nan 0.000 0.461 159 S N -0.725 114.948 115.700 -0.045 0.000 2.500 159 S HA 0.402 4.872 4.470 0.000 0.000 0.301 159 S C 0.350 174.934 174.600 -0.027 0.000 1.092 159 S CA -0.079 58.103 58.200 -0.029 0.000 1.030 159 S CB 1.108 64.299 63.200 -0.014 0.000 1.031 159 S HN 0.724 nan 8.310 nan 0.000 0.483 160 S N 3.104 118.795 115.700 -0.014 0.000 2.803 160 S HA 0.125 4.595 4.470 0.000 0.000 0.228 160 S C 0.421 175.024 174.600 0.005 0.000 0.953 160 S CA -0.196 57.999 58.200 -0.008 0.000 0.983 160 S CB -0.344 62.862 63.200 0.009 0.000 0.784 160 S HN 0.709 nan 8.310 nan 0.000 0.498 161 Q N 2.678 122.480 119.800 0.003 0.000 2.244 161 Q HA 0.187 4.527 4.340 0.000 0.000 0.278 161 Q C 0.190 176.190 176.000 0.001 0.000 1.093 161 Q CA 0.845 56.651 55.803 0.005 0.000 0.916 161 Q CB -0.803 27.937 28.738 0.003 0.000 1.159 161 Q HN 0.622 nan 8.270 nan 0.000 0.384 162 N N 2.586 121.288 118.700 0.004 0.000 2.708 162 N HA -0.291 4.449 4.740 0.000 0.000 0.251 162 N C -0.161 175.348 175.510 -0.002 0.000 1.123 162 N CA 0.627 53.678 53.050 0.002 0.000 0.739 162 N CB -0.446 38.040 38.487 -0.001 0.000 1.113 162 N HN 0.574 nan 8.380 nan 0.000 0.561 163 Q N 0.747 120.546 119.800 -0.001 0.000 2.247 163 Q HA 0.350 4.690 4.340 0.000 0.000 0.211 163 Q C 0.216 176.219 176.000 0.005 0.000 0.861 163 Q CA -0.256 55.543 55.803 -0.007 0.000 0.949 163 Q CB 0.460 29.186 28.738 -0.021 0.000 1.115 163 Q HN 0.404 nan 8.270 nan 0.000 0.507 164 L N -0.149 121.084 121.223 0.016 0.000 3.717 164 L HA -0.193 4.147 4.340 0.000 0.000 0.411 164 L C 0.532 177.435 176.870 0.056 0.000 1.233 164 L CA 1.232 56.090 54.840 0.030 0.000 0.917 164 L CB -1.541 40.532 42.059 0.023 0.000 1.902 164 L HN 0.451 nan 8.230 nan 0.000 0.894 165 G N -1.129 107.704 108.800 0.056 0.000 2.273 165 G HA2 -0.157 3.804 3.960 0.000 0.000 0.280 165 G HA3 -0.157 3.804 3.960 0.000 0.000 0.280 165 G C 0.086 175.048 174.900 0.104 0.000 1.047 165 G CA 0.287 45.440 45.100 0.088 0.000 0.869 165 G HN 1.193 nan 8.290 nan 0.000 0.502 166 V N 0.510 120.436 119.914 0.021 0.000 2.567 166 V HA 0.490 4.610 4.120 0.000 0.000 0.298 166 V C 0.167 176.176 176.094 -0.142 0.000 1.047 166 V CA -0.698 61.556 62.300 -0.076 0.000 0.880 166 V CB 1.874 33.690 31.823 -0.010 0.000 1.009 166 V HN 0.293 nan 8.190 nan 0.000 0.429 167 L N 7.072 128.158 121.223 -0.227 0.000 2.335 167 L HA 0.443 4.783 4.340 0.000 0.000 0.268 167 L C -2.525 174.186 176.870 -0.266 0.000 1.037 167 L CA -1.574 53.144 54.840 -0.203 0.000 0.895 167 L CB 1.796 43.750 42.059 -0.176 0.000 1.266 167 L HN 0.399 nan 8.230 nan 0.000 0.439 168 P HA 0.291 nan 4.420 nan 0.000 0.271 168 P C -0.665 176.442 177.300 -0.321 0.000 1.226 168 P CA 0.222 63.165 63.100 -0.261 0.000 0.765 168 P CB 0.899 32.495 31.700 -0.174 0.000 0.835 169 L N 1.788 122.702 121.223 -0.514 0.000 2.397 169 L HA 0.753 5.093 4.340 0.000 0.000 0.251 169 L C -0.263 176.210 176.870 -0.663 0.000 1.064 169 L CA -0.720 53.730 54.840 -0.649 0.000 0.859 169 L CB 2.391 43.868 42.059 -0.971 0.000 1.468 169 L HN 0.379 nan 8.230 nan 0.000 0.411 170 S N -0.906 114.576 115.700 -0.363 0.000 2.543 170 S HA 0.650 5.120 4.470 0.000 0.000 0.274 170 S C -2.136 172.594 174.600 0.216 0.000 1.149 170 S CA -0.752 57.412 58.200 -0.060 0.000 0.866 170 S CB 1.920 65.079 63.200 -0.069 0.000 1.111 170 S HN 0.654 nan 8.310 nan 0.000 0.457 171 W N 1.937 123.256 121.300 0.032 0.000 3.259 171 W HA 0.598 5.258 4.660 0.000 0.000 0.331 171 W C -2.188 174.281 176.519 -0.084 0.000 1.144 171 W CA -0.424 56.919 57.345 -0.002 0.000 1.227 171 W CB 1.388 30.869 29.460 0.035 0.000 1.371 171 W HN 0.694 nan 8.180 nan 0.000 0.491 172 D N 5.389 125.338 120.400 -0.751 0.000 2.277 172 D HA 0.303 4.943 4.640 0.000 0.000 0.249 172 D C 0.090 175.592 176.300 -1.331 0.000 1.134 172 D CA 0.187 53.722 54.000 -0.775 0.000 0.863 172 D CB 1.206 41.749 40.800 -0.427 0.000 1.143 172 D HN 0.264 nan 8.370 nan 0.000 0.458 173 I N 4.243 124.193 120.570 -1.033 0.000 2.379 173 I HA 0.169 4.339 4.170 0.000 0.000 0.290 173 I C -1.981 173.836 176.117 -0.501 0.000 1.063 173 I CA -1.841 58.877 61.300 -0.969 0.000 1.351 173 I CB 0.677 38.289 38.000 -0.646 0.000 1.410 173 I HN 0.039 nan 8.210 nan 0.000 0.505 174 P HA 0.025 nan 4.420 nan 0.000 0.269 174 P C 0.540 177.778 177.300 -0.104 0.000 1.209 174 P CA -0.181 62.821 63.100 -0.164 0.000 0.776 174 P CB 0.695 32.366 31.700 -0.049 0.000 0.876 175 E N 1.228 121.384 120.200 -0.074 0.000 2.077 175 E HA -0.110 4.240 4.350 0.000 0.000 0.193 175 E C 0.592 177.188 176.600 -0.008 0.000 0.989 175 E CA 1.160 57.532 56.400 -0.047 0.000 0.800 175 E CB -0.232 29.443 29.700 -0.041 0.000 0.746 175 E HN 0.465 nan 8.360 nan 0.000 0.452 176 L N 1.673 122.902 121.223 0.010 0.000 2.385 176 L HA 0.201 4.541 4.340 0.000 0.000 0.285 176 L C -0.075 176.844 176.870 0.082 0.000 1.125 176 L CA -0.296 54.568 54.840 0.040 0.000 0.890 176 L CB 0.618 42.699 42.059 0.036 0.000 1.251 176 L HN -0.175 nan 8.230 nan 0.000 0.445 177 V N 2.656 122.636 119.914 0.109 0.000 3.167 177 V HA 0.330 4.450 4.120 0.000 0.000 0.293 177 V C -1.040 175.183 176.094 0.216 0.000 1.379 177 V CA -0.894 61.527 62.300 0.202 0.000 1.019 177 V CB 2.795 34.783 31.823 0.276 0.000 1.115 177 V HN 0.640 nan 8.190 nan 0.000 0.442 178 N N 3.705 122.557 118.700 0.253 0.000 2.497 178 N HA 0.422 5.162 4.740 0.000 0.000 0.268 178 N C -0.319 175.368 175.510 0.296 0.000 1.171 178 N CA -0.068 53.096 53.050 0.189 0.000 0.948 178 N CB 0.917 39.452 38.487 0.081 0.000 1.069 178 N HN 0.571 nan 8.380 nan 0.000 0.460 179 M N 0.995 120.717 119.600 0.204 0.000 2.247 179 M HA 0.500 4.980 4.480 0.000 0.000 0.326 179 M C 1.258 177.662 176.300 0.174 0.000 1.134 179 M CA 0.283 55.720 55.300 0.228 0.000 1.136 179 M CB 1.017 33.705 32.600 0.147 0.000 1.454 179 M HN 0.782 nan 8.290 nan 0.000 0.467 180 G N -0.030 108.886 108.800 0.194 0.000 2.292 180 G HA2 0.046 4.006 3.960 0.000 0.000 0.194 180 G HA3 0.046 4.006 3.960 0.000 0.000 0.194 180 G C -1.671 173.301 174.900 0.119 0.000 1.329 180 G CA -0.876 44.283 45.100 0.098 0.000 1.100 180 G HN 0.484 nan 8.290 nan 0.000 0.470 181 Q N 0.157 119.958 119.800 0.002 0.000 2.340 181 Q HA 0.482 4.822 4.340 0.000 0.000 0.259 181 Q C -1.206 174.706 176.000 -0.146 0.000 0.964 181 Q CA -0.169 55.619 55.803 -0.024 0.000 0.900 181 Q CB 1.534 30.248 28.738 -0.041 0.000 1.228 181 Q HN 0.443 nan 8.270 nan 0.000 0.449 182 W N 1.848 122.891 121.300 -0.429 0.000 2.436 182 W HA 0.478 5.138 4.660 0.000 0.000 0.347 182 W C 0.448 176.684 176.519 -0.472 0.000 1.136 182 W CA -0.382 56.608 57.345 -0.593 0.000 1.286 182 W CB 1.151 29.902 29.460 -1.182 0.000 1.253 182 W HN 0.275 nan 8.180 nan 0.000 0.617 183 K N 2.182 122.557 120.400 -0.041 0.000 2.468 183 K HA 0.572 4.892 4.320 0.000 0.000 0.252 183 K C -1.494 175.182 176.600 0.127 0.000 0.932 183 K CA -0.594 55.723 56.287 0.050 0.000 0.794 183 K CB 1.343 33.834 32.500 -0.015 0.000 1.241 183 K HN 0.495 nan 8.250 nan 0.000 0.428 184 I N 4.795 125.450 120.570 0.143 0.000 2.382 184 I HA 0.369 4.539 4.170 0.000 0.000 0.285 184 I C -0.397 175.744 176.117 0.040 0.000 1.007 184 I CA -0.802 60.520 61.300 0.038 0.000 1.142 184 I CB 1.513 39.465 38.000 -0.081 0.000 1.289 184 I HN 0.403 nan 8.210 nan 0.000 0.453 185 R N 5.425 125.945 120.500 0.033 0.000 2.387 185 R HA 0.831 5.171 4.340 0.000 0.000 0.314 185 R C -0.720 175.650 176.300 0.116 0.000 0.958 185 R CA -0.596 55.554 56.100 0.084 0.000 0.846 185 R CB 2.147 32.490 30.300 0.072 0.000 1.147 185 R HN 0.659 nan 8.270 nan 0.000 0.447 186 A N 2.887 125.801 122.820 0.157 0.000 2.413 186 A HA 0.803 5.123 4.320 0.000 0.000 0.307 186 A C -1.502 176.232 177.584 0.250 0.000 1.087 186 A CA -0.813 51.285 52.037 0.101 0.000 0.750 186 A CB 1.271 20.265 19.000 -0.010 0.000 1.296 186 A HN 0.791 nan 8.150 nan 0.000 0.423 187 Y N -1.977 118.321 120.300 -0.004 0.000 2.565 187 Y HA 0.623 5.173 4.550 0.000 0.000 0.330 187 Y C -1.418 174.458 175.900 -0.040 0.000 1.150 187 Y CA -1.519 56.605 58.100 0.039 0.000 1.055 187 Y CB 0.255 38.754 38.460 0.065 0.000 1.337 187 Y HN 0.617 nan 8.280 nan 0.000 0.457 188 Y N 2.139 122.542 120.300 0.170 0.000 2.597 188 Y HA 0.048 4.598 4.550 0.000 0.000 0.336 188 Y C 1.787 177.746 175.900 0.099 0.000 1.216 188 Y CA 0.593 58.727 58.100 0.057 0.000 1.463 188 Y CB 0.966 39.467 38.460 0.068 0.000 1.303 188 Y HN 0.914 nan 8.280 nan 0.000 0.576 189 E N 1.442 121.740 120.200 0.164 0.000 2.265 189 E HA -0.221 4.129 4.350 0.000 0.000 0.196 189 E C 0.519 177.224 176.600 0.174 0.000 0.996 189 E CA 0.972 57.452 56.400 0.133 0.000 0.832 189 E CB 0.104 29.839 29.700 0.058 0.000 0.756 189 E HN 0.666 nan 8.360 nan 0.000 0.491 190 N N 0.223 119.028 118.700 0.174 0.000 2.314 190 N HA -0.007 4.733 4.740 0.000 0.000 0.200 190 N C -0.706 174.873 175.510 0.115 0.000 1.135 190 N CA 0.536 53.653 53.050 0.111 0.000 0.835 190 N CB 1.207 39.726 38.487 0.054 0.000 0.989 190 N HN 0.016 nan 8.380 nan 0.000 0.478 191 S N -1.494 114.319 115.700 0.189 0.000 2.777 191 S HA 0.230 4.700 4.470 0.000 0.000 0.140 191 S C -2.394 172.305 174.600 0.165 0.000 1.233 191 S CA -0.831 57.458 58.200 0.147 0.000 1.157 191 S CB 1.668 64.949 63.200 0.135 0.000 1.600 191 S HN -0.145 nan 8.310 nan 0.000 0.432 192 P HA -0.196 nan 4.420 nan 0.000 0.220 192 P C 1.553 178.683 177.300 -0.282 0.000 1.148 192 P CA 1.205 64.195 63.100 -0.184 0.000 0.803 192 P CB 0.093 31.718 31.700 -0.124 0.000 0.782 193 Q N 0.302 120.023 119.800 -0.131 0.000 2.172 193 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 193 Q C 1.215 177.128 176.000 -0.145 0.000 0.964 193 Q CA 0.955 56.678 55.803 -0.133 0.000 0.855 193 Q CB -0.888 27.801 28.738 -0.082 0.000 0.918 193 Q HN 0.373 nan 8.270 nan 0.000 0.444 194 Q N 1.317 121.055 119.800 -0.104 0.000 2.377 194 Q HA 0.421 4.761 4.340 0.000 0.000 0.249 194 Q C -1.519 174.366 176.000 -0.191 0.000 1.005 194 Q CA -0.291 55.415 55.803 -0.162 0.000 0.912 194 Q CB 1.053 29.741 28.738 -0.083 0.000 1.223 194 Q HN 0.035 nan 8.270 nan 0.000 0.459 195 V N 5.211 124.936 119.914 -0.315 0.000 2.604 195 V HA 0.499 4.619 4.120 0.000 0.000 0.305 195 V C -0.767 175.117 176.094 -0.350 0.000 1.043 195 V CA -0.677 61.512 62.300 -0.186 0.000 0.888 195 V CB 1.366 33.114 31.823 -0.124 0.000 0.995 195 V HN 0.603 nan 8.190 nan 0.000 0.429 196 F N 1.572 121.545 119.950 0.039 0.000 2.450 196 F HA 0.759 5.286 4.527 0.000 0.000 0.332 196 F C 0.626 176.442 175.800 0.028 0.000 1.093 196 F CA -0.305 57.704 58.000 0.015 0.000 1.003 196 F CB 2.102 41.084 39.000 -0.030 0.000 1.151 196 F HN 0.390 nan 8.300 nan 0.000 0.474 197 S N 0.338 116.156 115.700 0.196 0.000 2.546 197 S HA 0.782 5.253 4.470 0.000 0.000 0.274 197 S C -1.021 173.668 174.600 0.149 0.000 1.121 197 S CA -0.839 57.443 58.200 0.137 0.000 0.887 197 S CB 2.236 65.483 63.200 0.078 0.000 1.094 197 S HN 0.536 nan 8.310 nan 0.000 0.474 198 T N 2.168 116.811 114.554 0.149 0.000 2.971 198 T HA 0.392 4.743 4.350 0.000 0.000 0.304 198 T C -1.115 173.712 174.700 0.211 0.000 1.038 198 T CA -0.717 61.489 62.100 0.176 0.000 1.007 198 T CB 1.482 70.466 68.868 0.193 0.000 1.055 198 T HN 0.545 nan 8.240 nan 0.000 0.451 199 E N 2.084 122.404 120.200 0.200 0.000 2.242 199 E HA 0.632 4.983 4.350 0.000 0.000 0.275 199 E C -0.975 175.817 176.600 0.320 0.000 1.002 199 E CA -0.820 55.697 56.400 0.196 0.000 0.841 199 E CB 1.401 31.159 29.700 0.097 0.000 1.109 199 E HN 0.616 nan 8.360 nan 0.000 0.394 200 F N -0.765 119.302 119.950 0.195 0.000 2.557 200 F HA 0.421 4.948 4.527 0.000 0.000 0.316 200 F C -0.467 175.502 175.800 0.281 0.000 1.141 200 F CA -1.156 56.991 58.000 0.245 0.000 0.922 200 F CB 1.075 40.254 39.000 0.298 0.000 1.194 200 F HN 0.276 nan 8.300 nan 0.000 0.443 201 E N 2.900 123.249 120.200 0.249 0.000 2.331 201 E HA 0.492 4.842 4.350 0.000 0.000 0.272 201 E C -1.419 175.343 176.600 0.269 0.000 1.036 201 E CA -0.654 55.851 56.400 0.175 0.000 0.864 201 E CB 1.591 31.364 29.700 0.123 0.000 1.035 201 E HN 0.677 nan 8.360 nan 0.000 0.408 202 V N 5.552 125.608 119.914 0.238 0.000 2.357 202 V HA 0.419 4.539 4.120 0.000 0.000 0.284 202 V C -0.220 176.009 176.094 0.226 0.000 1.018 202 V CA -0.432 62.006 62.300 0.230 0.000 0.841 202 V CB 1.330 33.197 31.823 0.074 0.000 0.991 202 V HN 0.644 nan 8.190 nan 0.000 0.437 203 K N 3.264 123.816 120.400 0.252 0.000 2.562 203 K HA 0.422 4.742 4.320 0.000 0.000 0.267 203 K C -0.880 175.832 176.600 0.187 0.000 0.938 203 K CA -0.699 55.721 56.287 0.221 0.000 0.840 203 K CB 2.330 34.967 32.500 0.227 0.000 1.390 203 K HN 0.672 nan 8.250 nan 0.000 0.428 204 E N 3.738 123.987 120.200 0.083 0.000 1.944 204 E HA 0.093 4.443 4.350 0.000 0.000 0.272 204 E C -0.955 175.657 176.600 0.021 0.000 1.195 204 E CA -0.110 56.274 56.400 -0.026 0.000 0.926 204 E CB -0.050 29.640 29.700 -0.016 0.000 1.051 204 E HN 0.333 nan 8.360 nan 0.000 0.404 205 Y N -0.234 120.062 120.300 -0.006 0.000 2.693 205 Y HA 0.719 5.269 4.550 0.000 0.000 0.331 205 Y C -0.581 175.306 175.900 -0.022 0.000 1.092 205 Y CA -1.609 56.481 58.100 -0.017 0.000 1.131 205 Y CB 0.819 39.263 38.460 -0.028 0.000 1.318 205 Y HN -0.001 nan 8.280 nan 0.000 0.510 206 V N -0.224 119.853 119.914 0.270 0.000 2.655 206 V HA 0.431 4.551 4.120 0.000 0.000 0.301 206 V C -1.089 175.112 176.094 0.177 0.000 1.082 206 V CA -1.116 61.281 62.300 0.162 0.000 0.899 206 V CB 0.960 32.821 31.823 0.063 0.000 1.014 206 V HN 0.773 nan 8.190 nan 0.000 0.429 207 L N 7.912 129.236 121.223 0.170 0.000 2.615 207 L HA 0.291 4.631 4.340 0.000 0.000 0.271 207 L C -0.996 175.903 176.870 0.049 0.000 1.183 207 L CA 0.089 54.978 54.840 0.082 0.000 0.933 207 L CB -0.573 41.527 42.059 0.069 0.000 1.199 207 L HN 0.635 nan 8.230 nan 0.000 0.487 208 P HA 0.102 nan 4.420 nan 0.000 0.291 208 P C 0.141 177.475 177.300 0.058 0.000 1.287 208 P CA -0.194 62.889 63.100 -0.028 0.000 0.767 208 P CB 0.460 32.032 31.700 -0.215 0.000 1.290 209 S N -2.632 113.154 115.700 0.144 0.000 2.733 209 S HA 0.359 4.829 4.470 0.000 0.000 0.247 209 S C 0.096 174.948 174.600 0.421 0.000 1.043 209 S CA -0.576 57.827 58.200 0.339 0.000 1.066 209 S CB -0.682 62.815 63.200 0.495 0.000 1.045 209 S HN 0.516 nan 8.310 nan 0.000 0.586 210 F N 0.491 120.446 119.950 0.008 0.000 2.678 210 F HA 0.785 5.312 4.527 0.000 0.000 0.308 210 F C -1.086 174.649 175.800 -0.107 0.000 1.118 210 F CA -1.138 56.779 58.000 -0.137 0.000 0.959 210 F CB 0.765 39.505 39.000 -0.433 0.000 1.305 210 F HN 0.125 nan 8.300 nan 0.000 0.443 211 E N 1.360 121.523 120.200 -0.061 0.000 2.227 211 E HA 0.753 5.103 4.350 0.000 0.000 0.268 211 E C -1.706 174.879 176.600 -0.025 0.000 0.990 211 E CA -1.181 55.154 56.400 -0.107 0.000 0.856 211 E CB 2.570 32.245 29.700 -0.042 0.000 1.159 211 E HN 0.532 nan 8.360 nan 0.000 0.401 212 V N 3.023 122.905 119.914 -0.054 0.000 2.483 212 V HA 0.372 4.492 4.120 0.000 0.000 0.297 212 V C -0.365 175.720 176.094 -0.015 0.000 1.027 212 V CA -0.649 61.648 62.300 -0.005 0.000 0.855 212 V CB 1.168 32.991 31.823 -0.000 0.000 0.995 212 V HN 0.632 nan 8.190 nan 0.000 0.424 213 I N 5.187 125.753 120.570 -0.007 0.000 2.404 213 I HA 0.557 4.727 4.170 0.000 0.000 0.293 213 I C -0.395 175.716 176.117 -0.010 0.000 0.992 213 I CA -1.059 60.236 61.300 -0.009 0.000 1.149 213 I CB 2.139 40.135 38.000 -0.007 0.000 1.315 213 I HN 0.474 nan 8.210 nan 0.000 0.446 214 V N 1.973 121.881 119.914 -0.010 0.000 2.304 214 V HA 0.510 4.630 4.120 0.000 0.000 0.278 214 V C -0.465 175.628 176.094 -0.001 0.000 1.018 214 V CA -0.502 61.790 62.300 -0.013 0.000 0.814 214 V CB 0.718 32.526 31.823 -0.026 0.000 1.021 214 V HN 0.738 nan 8.190 nan 0.000 0.440 215 E N 5.995 126.195 120.200 0.001 0.000 2.145 215 E HA 0.449 4.799 4.350 0.000 0.000 0.262 215 E C -2.796 173.807 176.600 0.006 0.000 0.883 215 E CA -1.933 54.470 56.400 0.004 0.000 0.748 215 E CB 2.449 32.150 29.700 0.000 0.000 1.140 215 E HN 0.531 nan 8.360 nan 0.000 0.417 216 P HA -0.042 nan 4.420 nan 0.000 0.271 216 P C 1.030 178.311 177.300 -0.031 0.000 1.216 216 P CA -0.114 62.989 63.100 0.004 0.000 0.776 216 P CB 0.807 32.514 31.700 0.011 0.000 0.881 217 T N -0.572 113.958 114.554 -0.040 0.000 2.665 217 T HA -0.149 4.201 4.350 0.000 0.000 0.268 217 T C 0.567 175.192 174.700 -0.126 0.000 1.035 217 T CA 1.319 63.380 62.100 -0.064 0.000 1.151 217 T CB -0.465 68.369 68.868 -0.056 0.000 0.862 217 T HN 0.337 nan 8.240 nan 0.000 0.438 218 E N 0.930 120.999 120.200 -0.218 0.000 2.191 218 E HA 0.362 4.712 4.350 0.000 0.000 0.274 218 E C -0.174 176.213 176.600 -0.355 0.000 0.948 218 E CA -0.570 55.557 56.400 -0.455 0.000 0.802 218 E CB 1.715 30.862 29.700 -0.921 0.000 1.137 218 E HN 0.397 nan 8.360 nan 0.000 0.397 219 K N 2.045 122.302 120.400 -0.238 0.000 2.706 219 K HA 0.120 4.441 4.320 0.000 0.000 0.217 219 K C -0.302 176.422 176.600 0.207 0.000 1.019 219 K CA 0.220 56.527 56.287 0.034 0.000 1.181 219 K CB -0.589 31.994 32.500 0.138 0.000 0.940 219 K HN 0.313 nan 8.250 nan 0.000 0.491 220 F N -3.521 116.467 119.950 0.062 0.000 3.485 220 F HA 0.373 4.900 4.527 0.000 0.000 0.328 220 F C -1.851 174.055 175.800 0.177 0.000 1.111 220 F CA -1.818 56.238 58.000 0.093 0.000 0.847 220 F CB 0.764 39.790 39.000 0.044 0.000 1.558 220 F HN -0.178 nan 8.300 nan 0.000 0.491 221 Y N 1.028 121.529 120.300 0.336 0.000 2.396 221 Y HA 0.538 5.088 4.550 0.000 0.000 0.332 221 Y C -1.963 174.133 175.900 0.327 0.000 1.034 221 Y CA -1.604 56.614 58.100 0.196 0.000 1.057 221 Y CB 1.348 39.849 38.460 0.067 0.000 1.220 221 Y HN 0.742 nan 8.280 nan 0.000 0.440 222 Y N 7.353 127.371 120.300 -0.471 0.000 2.365 222 Y HA 0.290 4.840 4.550 0.000 0.000 0.340 222 Y C 0.624 176.075 175.900 -0.749 0.000 1.016 222 Y CA -0.729 57.151 58.100 -0.367 0.000 1.196 222 Y CB 0.702 39.084 38.460 -0.129 0.000 1.167 222 Y HN 0.723 nan 8.280 nan 0.000 0.509 223 I N 4.739 124.813 120.570 -0.826 0.000 2.335 223 I HA -0.318 3.852 4.170 0.000 0.000 0.251 223 I C 0.823 176.450 176.117 -0.817 0.000 1.129 223 I CA 1.534 62.386 61.300 -0.747 0.000 1.402 223 I CB -0.752 36.781 38.000 -0.778 0.000 1.069 223 I HN 0.596 nan 8.210 nan 0.000 0.424 224 Y N -0.063 119.747 120.300 -0.816 0.000 2.583 224 Y HA 0.254 4.804 4.550 0.000 0.000 0.294 224 Y C 0.778 176.631 175.900 -0.079 0.000 1.170 224 Y CA -0.660 57.200 58.100 -0.400 0.000 1.265 224 Y CB -0.732 37.516 38.460 -0.352 0.000 1.119 224 Y HN 0.040 nan 8.280 nan 0.000 0.522 225 N N 1.722 120.407 118.700 -0.024 0.000 2.437 225 N HA 0.035 4.775 4.740 0.000 0.000 0.243 225 N C 0.642 176.189 175.510 0.062 0.000 1.041 225 N CA 0.156 53.254 53.050 0.080 0.000 0.940 225 N CB 0.656 39.123 38.487 -0.033 0.000 1.133 225 N HN 0.396 nan 8.380 nan 0.000 0.506 226 E N 2.839 123.088 120.200 0.082 0.000 2.077 226 E HA -0.211 4.139 4.350 0.000 0.000 0.193 226 E C 1.040 177.678 176.600 0.063 0.000 0.989 226 E CA 1.318 57.757 56.400 0.065 0.000 0.800 226 E CB 0.169 29.902 29.700 0.055 0.000 0.746 226 E HN 0.623 nan 8.360 nan 0.000 0.452 227 K N 0.351 120.788 120.400 0.061 0.000 2.074 227 K HA -0.086 4.234 4.320 0.000 0.000 0.209 227 K C 1.161 177.801 176.600 0.066 0.000 1.048 227 K CA 0.922 57.240 56.287 0.051 0.000 0.926 227 K CB -0.316 32.209 32.500 0.042 0.000 0.713 227 K HN 0.244 nan 8.250 nan 0.000 0.444 228 G N 0.645 109.532 108.800 0.146 0.000 2.566 228 G HA2 -0.167 3.793 3.960 0.000 0.000 0.599 228 G HA3 -0.167 3.793 3.960 0.000 0.000 0.599 228 G C -1.521 173.511 174.900 0.220 0.000 1.292 228 G CA -0.623 44.602 45.100 0.209 0.000 0.922 228 G HN 0.143 nan 8.290 nan 0.000 0.514 229 L N 1.384 122.600 121.223 -0.011 0.000 2.342 229 L HA 0.527 4.867 4.340 0.000 0.000 0.285 229 L C 0.667 177.511 176.870 -0.044 0.000 1.095 229 L CA -0.109 54.697 54.840 -0.058 0.000 0.843 229 L CB -0.194 41.663 42.059 -0.338 0.000 1.201 229 L HN 0.504 nan 8.230 nan 0.000 0.445 230 E N 4.182 124.393 120.200 0.018 0.000 2.229 230 E HA 0.440 4.790 4.350 0.000 0.000 0.283 230 E C -0.992 175.635 176.600 0.046 0.000 1.030 230 E CA -0.536 55.878 56.400 0.024 0.000 0.836 230 E CB 1.760 31.467 29.700 0.012 0.000 1.068 230 E HN 0.398 nan 8.360 nan 0.000 0.401 231 V N 2.879 122.841 119.914 0.080 0.000 2.656 231 V HA 0.302 4.422 4.120 0.000 0.000 0.307 231 V C -0.166 175.953 176.094 0.041 0.000 1.051 231 V CA -0.792 61.555 62.300 0.077 0.000 0.893 231 V CB 2.281 34.186 31.823 0.138 0.000 0.999 231 V HN 0.673 nan 8.190 nan 0.000 0.426 232 T N 5.720 120.285 114.554 0.018 0.000 2.771 232 T HA 0.560 4.910 4.350 0.000 0.000 0.281 232 T C -0.349 174.348 174.700 -0.006 0.000 0.982 232 T CA -0.291 61.811 62.100 0.004 0.000 0.978 232 T CB 0.875 69.743 68.868 -0.000 0.000 0.930 232 T HN 0.332 nan 8.240 nan 0.000 0.447 233 I N 4.017 124.579 120.570 -0.013 0.000 2.307 233 I HA 0.252 4.422 4.170 0.000 0.000 0.287 233 I C 0.469 176.574 176.117 -0.020 0.000 1.054 233 I CA -0.463 60.825 61.300 -0.021 0.000 1.218 233 I CB 0.183 38.164 38.000 -0.032 0.000 1.398 233 I HN 0.530 nan 8.210 nan 0.000 0.475 234 T N 5.824 120.370 114.554 -0.014 0.000 2.749 234 T HA 0.690 5.040 4.350 0.000 0.000 0.287 234 T C 0.173 174.866 174.700 -0.011 0.000 0.970 234 T CA -0.485 61.606 62.100 -0.015 0.000 0.980 234 T CB 1.515 70.377 68.868 -0.010 0.000 0.924 234 T HN 0.692 nan 8.240 nan 0.000 0.456 235 A N 4.519 127.324 122.820 -0.026 0.000 2.335 235 A HA 0.812 5.132 4.320 0.000 0.000 0.304 235 A C -0.194 177.336 177.584 -0.090 0.000 1.118 235 A CA -1.113 50.914 52.037 -0.017 0.000 0.757 235 A CB 1.015 20.007 19.000 -0.014 0.000 1.188 235 A HN 0.917 nan 8.150 nan 0.000 0.460 236 R N 1.347 121.806 120.500 -0.069 0.000 2.698 236 R HA 0.745 5.085 4.340 0.000 0.000 0.275 236 R C -1.450 174.768 176.300 -0.137 0.000 1.001 236 R CA -0.719 55.306 56.100 -0.124 0.000 0.896 236 R CB 0.826 31.105 30.300 -0.035 0.000 1.218 236 R HN 0.315 nan 8.270 nan 0.000 0.462 237 F N 1.485 121.341 119.950 -0.156 0.000 2.535 237 F HA 0.066 4.593 4.527 0.000 0.000 0.332 237 F C 1.886 177.461 175.800 -0.376 0.000 1.208 237 F CA -0.129 57.656 58.000 -0.360 0.000 1.330 237 F CB 0.369 38.767 39.000 -1.003 0.000 1.167 237 F HN 0.442 nan 8.300 nan 0.000 0.597 238 L N 0.730 121.888 121.223 -0.108 0.000 2.191 238 L HA -0.245 4.095 4.340 0.000 0.000 0.212 238 L C 1.653 178.539 176.870 0.026 0.000 1.103 238 L CA 1.206 56.046 54.840 -0.001 0.000 0.769 238 L CB -0.661 41.461 42.059 0.106 0.000 0.908 238 L HN 0.718 nan 8.230 nan 0.000 0.438 239 Y N -1.820 118.582 120.300 0.170 0.000 2.471 239 Y HA 0.455 5.005 4.550 0.000 0.000 0.286 239 Y C 1.633 177.597 175.900 0.108 0.000 1.188 239 Y CA 0.127 58.291 58.100 0.107 0.000 1.286 239 Y CB -0.482 38.015 38.460 0.062 0.000 1.072 239 Y HN 0.108 nan 8.280 nan 0.000 0.517 240 G N -0.398 108.429 108.800 0.046 0.000 2.308 240 G HA2 -0.253 3.707 3.960 0.000 0.000 0.221 240 G HA3 -0.253 3.707 3.960 0.000 0.000 0.221 240 G C 0.356 175.313 174.900 0.095 0.000 1.032 240 G CA -0.338 44.809 45.100 0.078 0.000 0.623 240 G HN 0.141 nan 8.290 nan 0.000 0.506 241 K N 1.979 122.480 120.400 0.167 0.000 2.469 241 K HA 0.227 4.547 4.320 0.000 0.000 0.274 241 K C 0.917 177.661 176.600 0.240 0.000 0.983 241 K CA 0.295 56.724 56.287 0.237 0.000 0.974 241 K CB 0.434 33.156 32.500 0.371 0.000 0.913 241 K HN 0.564 nan 8.250 nan 0.000 0.493 242 K N 0.597 121.104 120.400 0.179 0.000 2.276 242 K HA 0.185 4.505 4.320 0.000 0.000 0.259 242 K C -0.035 176.611 176.600 0.077 0.000 1.001 242 K CA -0.475 55.862 56.287 0.085 0.000 0.927 242 K CB 0.571 33.104 32.500 0.056 0.000 0.969 242 K HN 0.141 nan 8.250 nan 0.000 0.490 243 V N 2.242 122.063 119.914 -0.154 0.000 2.513 243 V HA 0.157 4.277 4.120 0.000 0.000 0.299 243 V C -0.403 175.579 176.094 -0.187 0.000 1.035 243 V CA -0.709 61.361 62.300 -0.384 0.000 0.889 243 V CB 1.686 33.020 31.823 -0.814 0.000 0.988 243 V HN 0.641 nan 8.190 nan 0.000 0.440 244 E N 3.026 123.171 120.200 -0.091 0.000 2.145 244 E HA 0.732 5.082 4.350 0.000 0.000 0.270 244 E C 0.168 176.768 176.600 -0.000 0.000 0.906 244 E CA -0.028 56.399 56.400 0.045 0.000 0.761 244 E CB 2.101 31.899 29.700 0.164 0.000 1.116 244 E HN 0.940 nan 8.360 nan 0.000 0.408 245 G N 1.365 110.054 108.800 -0.185 0.000 2.435 245 G HA2 0.351 4.311 3.960 0.000 0.000 0.296 245 G HA3 0.351 4.311 3.960 0.000 0.000 0.296 245 G C -1.155 173.433 174.900 -0.520 0.000 1.240 245 G CA -0.452 44.253 45.100 -0.658 0.000 0.872 245 G HN 0.284 nan 8.290 nan 0.000 0.480 246 T N 0.262 114.562 114.554 -0.424 0.000 2.861 246 T HA 0.750 5.100 4.350 0.000 0.000 0.287 246 T C -0.176 174.355 174.700 -0.281 0.000 1.003 246 T CA 0.299 62.206 62.100 -0.321 0.000 0.977 246 T CB 1.554 70.227 68.868 -0.325 0.000 0.996 246 T HN 1.302 nan 8.240 nan 0.000 0.448 247 A N 2.349 124.976 122.820 -0.321 0.000 2.340 247 A HA 0.883 5.203 4.320 0.000 0.000 0.331 247 A C -1.227 176.109 177.584 -0.413 0.000 1.140 247 A CA -0.698 51.211 52.037 -0.213 0.000 0.801 247 A CB 0.649 19.586 19.000 -0.104 0.000 1.234 247 A HN 0.767 nan 8.150 nan 0.000 0.469 248 F N 1.700 121.626 119.950 -0.040 0.000 2.366 248 F HA 0.476 5.003 4.527 0.000 0.000 0.366 248 F C 0.149 175.908 175.800 -0.069 0.000 1.096 248 F CA -0.602 57.373 58.000 -0.041 0.000 1.060 248 F CB 1.945 40.927 39.000 -0.030 0.000 1.282 248 F HN 0.381 nan 8.300 nan 0.000 0.450 249 V N 6.169 126.094 119.914 0.018 0.000 2.483 249 V HA 0.671 4.791 4.120 0.000 0.000 0.295 249 V C -0.921 175.077 176.094 -0.160 0.000 1.035 249 V CA -0.554 61.677 62.300 -0.115 0.000 0.896 249 V CB 1.633 33.345 31.823 -0.185 0.000 0.986 249 V HN 0.757 nan 8.190 nan 0.000 0.447 250 I N 4.984 125.379 120.570 -0.293 0.000 3.145 250 I HA 0.654 4.824 4.170 0.000 0.000 0.313 250 I C -1.306 174.471 176.117 -0.566 0.000 1.122 250 I CA -0.784 60.369 61.300 -0.246 0.000 0.987 250 I CB 2.440 40.396 38.000 -0.073 0.000 1.236 250 I HN 0.697 nan 8.210 nan 0.000 0.453 251 F N 1.504 121.343 119.950 -0.186 0.000 2.782 251 F HA 0.924 5.451 4.527 0.000 0.000 0.366 251 F C 0.520 175.989 175.800 -0.552 0.000 1.171 251 F CA -0.367 57.424 58.000 -0.348 0.000 1.064 251 F CB 1.756 40.599 39.000 -0.263 0.000 1.449 251 F HN 0.477 nan 8.300 nan 0.000 0.520 252 G N -0.028 108.480 108.800 -0.487 0.000 2.340 252 G HA2 0.462 4.422 3.960 0.000 0.000 0.298 252 G HA3 0.462 4.422 3.960 0.000 0.000 0.298 252 G C -2.215 172.499 174.900 -0.311 0.000 1.498 252 G CA -0.925 43.852 45.100 -0.538 0.000 0.847 252 G HN 0.530 nan 8.290 nan 0.000 0.594 253 I N 0.386 120.978 120.570 0.035 0.000 2.493 253 I HA 0.511 4.681 4.170 0.000 0.000 0.298 253 I C 0.107 176.377 176.117 0.256 0.000 0.998 253 I CA -0.751 60.626 61.300 0.129 0.000 1.137 253 I CB 2.183 40.215 38.000 0.053 0.000 1.310 253 I HN 0.550 nan 8.210 nan 0.000 0.445 254 Q N 3.831 123.763 119.800 0.221 0.000 2.306 254 Q HA 0.330 4.670 4.340 0.000 0.000 0.265 254 Q C -1.568 174.484 176.000 0.086 0.000 1.022 254 Q CA -0.589 55.302 55.803 0.148 0.000 0.853 254 Q CB 2.113 30.923 28.738 0.120 0.000 1.327 254 Q HN 0.539 nan 8.270 nan 0.000 0.449 255 D N 2.138 122.572 120.400 0.056 0.000 2.364 255 D HA 0.327 4.967 4.640 0.000 0.000 0.251 255 D C 0.509 176.827 176.300 0.029 0.000 1.282 255 D CA 0.762 54.788 54.000 0.042 0.000 0.927 255 D CB 0.394 41.217 40.800 0.038 0.000 1.267 255 D HN 0.803 nan 8.370 nan 0.000 0.531 256 G N 4.111 112.928 108.800 0.029 0.000 5.229 256 G HA2 -0.389 3.571 3.960 0.000 0.000 0.250 256 G HA3 -0.389 3.571 3.960 0.000 0.000 0.250 256 G C 0.820 175.725 174.900 0.009 0.000 1.380 256 G CA 0.925 46.037 45.100 0.021 0.000 0.933 256 G HN 0.497 nan 8.290 nan 0.000 0.731 257 E N -0.078 120.123 120.200 0.003 0.000 2.603 257 E HA 0.267 4.617 4.350 0.000 0.000 0.218 257 E C 0.757 177.345 176.600 -0.020 0.000 0.878 257 E CA 0.395 56.788 56.400 -0.012 0.000 1.348 257 E CB 0.538 30.232 29.700 -0.010 0.000 1.318 257 E HN 0.610 nan 8.360 nan 0.000 0.673 258 Q N 1.535 121.333 119.800 -0.004 0.000 2.261 258 Q HA 0.377 4.717 4.340 0.000 0.000 0.252 258 Q C -0.621 175.386 176.000 0.012 0.000 0.915 258 Q CA -0.355 55.448 55.803 0.001 0.000 0.915 258 Q CB 0.817 29.562 28.738 0.013 0.000 1.204 258 Q HN -0.046 nan 8.270 nan 0.000 0.421 259 R N 3.344 123.851 120.500 0.011 0.000 2.562 259 R HA 0.513 4.853 4.340 0.000 0.000 0.298 259 R C -0.831 175.544 176.300 0.124 0.000 0.961 259 R CA -0.840 55.301 56.100 0.067 0.000 0.881 259 R CB 1.388 31.645 30.300 -0.072 0.000 1.159 259 R HN 0.584 nan 8.270 nan 0.000 0.450 260 I N 2.068 122.751 120.570 0.187 0.000 2.405 260 I HA 0.131 4.301 4.170 0.000 0.000 0.280 260 I C 0.486 176.686 176.117 0.138 0.000 1.027 260 I CA -0.311 61.066 61.300 0.128 0.000 1.161 260 I CB 1.083 39.129 38.000 0.078 0.000 1.300 260 I HN 0.539 nan 8.210 nan 0.000 0.463 261 S N 6.714 122.497 115.700 0.138 0.000 2.573 261 S HA 0.412 4.882 4.470 0.000 0.000 0.277 261 S C -0.022 174.598 174.600 0.034 0.000 1.346 261 S CA -0.152 58.106 58.200 0.097 0.000 1.034 261 S CB 0.421 63.682 63.200 0.103 0.000 0.879 261 S HN 0.461 nan 8.310 nan 0.000 0.528 262 L N 6.532 127.759 121.223 0.006 0.000 2.387 262 L HA 0.338 4.678 4.340 0.000 0.000 0.259 262 L C -1.445 175.440 176.870 0.025 0.000 1.050 262 L CA -1.714 53.130 54.840 0.007 0.000 0.922 262 L CB 1.384 43.437 42.059 -0.012 0.000 1.280 262 L HN 0.573 nan 8.230 nan 0.000 0.449 263 P HA -0.220 nan 4.420 nan 0.000 0.219 263 P C 0.933 178.251 177.300 0.030 0.000 1.146 263 P CA 1.223 64.340 63.100 0.028 0.000 0.808 263 P CB 0.450 32.163 31.700 0.022 0.000 0.779 264 E N 0.289 120.502 120.200 0.020 0.000 2.494 264 E HA 0.002 4.352 4.350 0.000 0.000 0.193 264 E C 1.126 177.738 176.600 0.020 0.000 1.074 264 E CA 0.193 56.602 56.400 0.015 0.000 0.867 264 E CB 0.018 29.717 29.700 -0.001 0.000 0.924 264 E HN 0.239 nan 8.360 nan 0.000 0.502 265 S N -0.440 115.290 115.700 0.051 0.000 2.559 265 S HA 0.093 4.563 4.470 0.000 0.000 0.226 265 S C 0.432 175.135 174.600 0.173 0.000 1.000 265 S CA -0.611 57.650 58.200 0.102 0.000 0.948 265 S CB 0.097 63.385 63.200 0.147 0.000 0.870 265 S HN 0.155 nan 8.310 nan 0.000 0.497 266 L N 3.552 124.840 121.223 0.108 0.000 2.534 266 L HA 0.377 4.717 4.340 0.000 0.000 0.271 266 L C -0.380 176.545 176.870 0.092 0.000 1.178 266 L CA 0.705 55.603 54.840 0.096 0.000 0.907 266 L CB 0.009 42.117 42.059 0.080 0.000 1.164 266 L HN 0.082 nan 8.230 nan 0.000 0.482 267 K N 5.351 125.802 120.400 0.085 0.000 2.340 267 K HA 0.467 4.787 4.320 0.000 0.000 0.244 267 K C -0.841 175.752 176.600 -0.011 0.000 0.973 267 K CA -0.767 55.548 56.287 0.047 0.000 0.828 267 K CB 2.260 34.796 32.500 0.060 0.000 1.226 267 K HN 0.550 nan 8.250 nan 0.000 0.437 268 R N 2.898 123.352 120.500 -0.078 0.000 2.513 268 R HA 0.301 4.641 4.340 0.000 0.000 0.283 268 R C -0.371 175.795 176.300 -0.223 0.000 1.535 268 R CA -0.282 55.662 56.100 -0.260 0.000 1.315 268 R CB -0.008 30.137 30.300 -0.259 0.000 1.163 268 R HN 0.687 nan 8.270 nan 0.000 0.573 269 I N 0.321 120.768 120.570 -0.205 0.000 2.428 269 I HA 0.650 4.820 4.170 0.000 0.000 0.296 269 I C -2.480 173.542 176.117 -0.158 0.000 0.985 269 I CA -2.962 58.256 61.300 -0.136 0.000 1.260 269 I CB 1.503 39.455 38.000 -0.081 0.000 1.389 269 I HN 0.228 nan 8.210 nan 0.000 0.484 270 P HA 0.230 nan 4.420 nan 0.000 0.272 270 P C -0.747 176.514 177.300 -0.065 0.000 1.230 270 P CA -0.163 62.891 63.100 -0.075 0.000 0.788 270 P CB 0.562 32.251 31.700 -0.019 0.000 0.949 271 I N 1.773 122.310 120.570 -0.055 0.000 2.502 271 I HA 0.280 4.450 4.170 0.000 0.000 0.276 271 I C 0.382 176.495 176.117 -0.007 0.000 1.057 271 I CA -0.279 60.990 61.300 -0.052 0.000 1.163 271 I CB 0.021 37.961 38.000 -0.101 0.000 1.288 271 I HN 0.300 nan 8.210 nan 0.000 0.479 272 E N 3.420 123.620 120.200 0.000 0.000 2.204 272 E HA 0.199 4.549 4.350 0.000 0.000 0.276 272 E C -0.026 176.575 176.600 0.000 0.000 0.974 272 E CA -0.454 55.953 56.400 0.011 0.000 0.815 272 E CB 1.324 31.030 29.700 0.009 0.000 1.119 272 E HN 0.409 nan 8.360 nan 0.000 0.393 273 D N 1.517 121.921 120.400 0.007 0.000 2.983 273 D HA -0.194 4.446 4.640 0.000 0.000 0.225 273 D C 0.602 176.900 176.300 -0.003 0.000 1.174 273 D CA 1.642 55.647 54.000 0.007 0.000 0.831 273 D CB -1.147 39.657 40.800 0.006 0.000 1.104 273 D HN 0.896 nan 8.370 nan 0.000 0.421 274 G N -1.462 107.326 108.800 -0.021 0.000 2.160 274 G HA2 -0.184 3.776 3.960 0.000 0.000 0.251 274 G HA3 -0.184 3.776 3.960 0.000 0.000 0.251 274 G C 0.127 175.004 174.900 -0.039 0.000 1.008 274 G CA 1.072 46.143 45.100 -0.048 0.000 0.724 274 G HN 1.188 nan 8.290 nan 0.000 0.514 275 S N -1.368 114.314 115.700 -0.030 0.000 2.564 275 S HA 0.887 5.357 4.470 0.000 0.000 0.274 275 S C 0.009 174.592 174.600 -0.027 0.000 1.124 275 S CA 0.633 58.819 58.200 -0.024 0.000 0.869 275 S CB 1.897 65.089 63.200 -0.014 0.000 1.105 275 S HN 1.748 nan 8.310 nan 0.000 0.472 276 G N 1.219 110.003 108.800 -0.026 0.000 2.660 276 G HA2 0.607 4.568 3.960 0.000 0.000 0.294 276 G HA3 0.607 4.568 3.960 0.000 0.000 0.294 276 G C -2.002 172.887 174.900 -0.017 0.000 1.369 276 G CA -0.501 44.582 45.100 -0.029 0.000 0.912 276 G HN 0.571 nan 8.290 nan 0.000 0.479 277 E N -0.177 120.014 120.200 -0.014 0.000 2.241 277 E HA 0.566 4.916 4.350 0.000 0.000 0.263 277 E C -1.339 175.267 176.600 0.009 0.000 0.882 277 E CA -0.601 55.798 56.400 -0.001 0.000 0.769 277 E CB 2.045 31.744 29.700 -0.001 0.000 1.185 277 E HN 0.567 nan 8.360 nan 0.000 0.415 278 V N 4.882 124.816 119.914 0.034 0.000 2.789 278 V HA 0.758 4.878 4.120 0.000 0.000 0.311 278 V C -1.456 174.699 176.094 0.102 0.000 1.073 278 V CA -0.585 61.758 62.300 0.071 0.000 0.921 278 V CB 2.026 33.907 31.823 0.096 0.000 1.009 278 V HN 0.519 nan 8.190 nan 0.000 0.426 279 V N 6.647 126.606 119.914 0.075 0.000 2.709 279 V HA 0.500 4.620 4.120 0.000 0.000 0.308 279 V C -0.718 175.312 176.094 -0.108 0.000 1.062 279 V CA -0.664 61.639 62.300 0.004 0.000 0.901 279 V CB 1.722 33.537 31.823 -0.014 0.000 1.003 279 V HN 0.791 nan 8.190 nan 0.000 0.425 280 L N 5.419 126.447 121.223 -0.326 0.000 2.287 280 L HA 0.525 4.865 4.340 0.000 0.000 0.280 280 L C 0.691 177.348 176.870 -0.356 0.000 1.055 280 L CA 0.053 54.532 54.840 -0.603 0.000 0.863 280 L CB 0.963 42.197 42.059 -1.375 0.000 1.245 280 L HN 0.817 nan 8.230 nan 0.000 0.432 281 S N 3.235 118.806 115.700 -0.215 0.000 2.558 281 S HA 0.062 4.532 4.470 0.000 0.000 0.288 281 S C 1.286 175.808 174.600 -0.130 0.000 1.318 281 S CA -0.069 58.058 58.200 -0.122 0.000 1.056 281 S CB 0.554 63.708 63.200 -0.077 0.000 0.853 281 S HN 0.819 nan 8.310 nan 0.000 0.505 282 R N 1.389 121.859 120.500 -0.051 0.000 2.159 282 R HA -0.153 4.187 4.340 0.000 0.000 0.237 282 R C 2.008 178.280 176.300 -0.046 0.000 1.131 282 R CA 1.589 57.677 56.100 -0.019 0.000 0.982 282 R CB -0.267 30.076 30.300 0.071 0.000 0.868 282 R HN 0.731 nan 8.270 nan 0.000 0.453 283 K N 0.183 120.557 120.400 -0.043 0.000 2.009 283 K HA -0.099 4.221 4.320 0.000 0.000 0.210 283 K C 1.739 178.306 176.600 -0.055 0.000 1.049 283 K CA 1.953 58.217 56.287 -0.039 0.000 0.929 283 K CB -0.415 32.067 32.500 -0.030 0.000 0.714 283 K HN 0.070 nan 8.250 nan 0.000 0.440 284 V N 1.110 120.977 119.914 -0.077 0.000 2.427 284 V HA -0.180 3.940 4.120 0.000 0.000 0.248 284 V C 2.275 178.308 176.094 -0.101 0.000 1.051 284 V CA 1.544 63.794 62.300 -0.084 0.000 1.048 284 V CB -0.573 31.191 31.823 -0.100 0.000 0.666 284 V HN 0.340 nan 8.190 nan 0.000 0.456 285 L N 0.027 121.166 121.223 -0.140 0.000 1.989 285 L HA -0.154 4.186 4.340 0.000 0.000 0.211 285 L C 2.217 179.032 176.870 -0.093 0.000 1.071 285 L CA 2.002 56.750 54.840 -0.153 0.000 0.749 285 L CB -0.609 41.321 42.059 -0.215 0.000 0.890 285 L HN 0.206 nan 8.230 nan 0.000 0.431 286 L N -0.311 120.870 121.223 -0.070 0.000 2.131 286 L HA -0.156 4.184 4.340 0.000 0.000 0.210 286 L C 2.602 179.449 176.870 -0.039 0.000 1.092 286 L CA 1.463 56.274 54.840 -0.048 0.000 0.759 286 L CB -1.618 40.417 42.059 -0.039 0.000 0.903 286 L HN 0.515 nan 8.230 nan 0.000 0.435 287 D N -0.103 120.274 120.400 -0.040 0.000 2.312 287 D HA 0.013 4.653 4.640 0.000 0.000 0.211 287 D C 2.183 178.466 176.300 -0.027 0.000 0.964 287 D CA 0.906 54.888 54.000 -0.029 0.000 0.877 287 D CB -0.628 40.155 40.800 -0.028 0.000 0.924 287 D HN 0.453 nan 8.370 nan 0.000 0.515 288 G N -0.197 108.581 108.800 -0.037 0.000 2.443 288 G HA2 0.236 4.196 3.960 0.000 0.000 0.219 288 G HA3 0.236 4.196 3.960 0.000 0.000 0.219 288 G C 1.128 176.017 174.900 -0.018 0.000 1.131 288 G CA 1.540 46.622 45.100 -0.029 0.000 0.775 288 G HN 0.791 nan 8.290 nan 0.000 0.547 289 V N -3.581 116.321 119.914 -0.020 0.000 3.302 289 V HA 0.701 4.821 4.120 0.000 0.000 0.304 289 V C -0.448 175.640 176.094 -0.010 0.000 1.209 289 V CA -1.195 61.098 62.300 -0.012 0.000 1.032 289 V CB 1.433 33.249 31.823 -0.013 0.000 1.219 289 V HN 0.051 nan 8.190 nan 0.000 0.469 294 A N 0.779 123.562 122.820 -0.062 0.000 1.971 294 A HA -0.257 4.063 4.320 0.000 0.000 0.222 294 A C 1.605 179.115 177.584 -0.123 0.000 1.182 294 A CA 1.987 53.955 52.037 -0.116 0.000 0.649 294 A CB -0.068 18.810 19.000 -0.202 0.000 0.818 294 A HN 0.371 nan 8.150 nan 0.000 0.458 295 E N 0.143 120.290 120.200 -0.088 0.000 2.401 295 E HA -0.110 4.240 4.350 0.000 0.000 0.199 295 E C 1.223 177.805 176.600 -0.029 0.000 1.023 295 E CA 1.108 57.476 56.400 -0.054 0.000 0.859 295 E CB -0.196 29.504 29.700 0.001 0.000 0.780 295 E HN 0.644 nan 8.360 nan 0.000 0.523 296 D N -0.138 120.246 120.400 -0.027 0.000 2.120 296 D HA -0.036 4.604 4.640 0.000 0.000 0.202 296 D C 1.701 177.996 176.300 -0.008 0.000 0.972 296 D CA 0.592 54.585 54.000 -0.011 0.000 0.837 296 D CB -0.160 40.636 40.800 -0.008 0.000 0.989 296 D HN 0.164 nan 8.370 nan 0.000 0.469 297 L N 0.769 121.982 121.223 -0.018 0.000 2.349 297 L HA -0.073 4.267 4.340 0.000 0.000 0.220 297 L C 0.433 177.308 176.870 0.007 0.000 1.130 297 L CA 0.116 54.953 54.840 -0.005 0.000 0.791 297 L CB -0.384 41.668 42.059 -0.013 0.000 0.918 297 L HN -0.127 nan 8.230 nan 0.000 0.444 298 V N 1.042 120.951 119.914 -0.008 0.000 2.509 298 V HA 0.157 4.277 4.120 0.000 0.000 0.297 298 V C 1.297 177.405 176.094 0.024 0.000 1.014 298 V CA 1.285 63.587 62.300 0.004 0.000 1.127 298 V CB 0.202 32.021 31.823 -0.008 0.000 0.925 298 V HN 0.643 nan 8.190 nan 0.000 0.480 299 G N 4.313 113.137 108.800 0.039 0.000 2.376 299 G HA2 -0.184 3.776 3.960 0.000 0.000 0.208 299 G HA3 -0.184 3.776 3.960 0.000 0.000 0.208 299 G C 0.412 175.344 174.900 0.054 0.000 1.032 299 G CA 0.007 45.134 45.100 0.045 0.000 0.641 299 G HN 0.584 nan 8.290 nan 0.000 0.503 300 K N 1.024 121.456 120.400 0.053 0.000 2.136 300 K HA 0.562 4.883 4.320 0.000 0.000 0.237 300 K C 0.605 177.253 176.600 0.080 0.000 1.048 300 K CA 0.562 56.885 56.287 0.061 0.000 0.880 300 K CB 0.609 33.140 32.500 0.052 0.000 1.105 300 K HN 0.617 nan 8.250 nan 0.000 0.507 301 S N -0.348 115.407 115.700 0.093 0.000 2.599 301 S HA 0.590 5.060 4.470 0.000 0.000 0.287 301 S C -0.822 173.856 174.600 0.130 0.000 1.105 301 S CA -1.096 57.172 58.200 0.114 0.000 0.899 301 S CB 0.929 64.199 63.200 0.117 0.000 1.100 301 S HN 0.379 nan 8.310 nan 0.000 0.482 302 L N 2.013 123.310 121.223 0.122 0.000 2.334 302 L HA 0.663 5.003 4.340 0.000 0.000 0.273 302 L C -1.212 175.763 176.870 0.176 0.000 1.013 302 L CA -1.102 53.795 54.840 0.095 0.000 0.816 302 L CB 1.580 43.640 42.059 0.002 0.000 1.278 302 L HN 0.929 nan 8.230 nan 0.000 0.431 303 Y N 0.461 120.805 120.300 0.073 0.000 2.442 303 Y HA 0.774 5.324 4.550 0.000 0.000 0.344 303 Y C -1.085 174.819 175.900 0.006 0.000 0.976 303 Y CA -1.294 56.830 58.100 0.040 0.000 1.040 303 Y CB 1.235 39.706 38.460 0.018 0.000 1.228 303 Y HN 0.149 nan 8.280 nan 0.000 0.451 304 V N 3.141 123.057 119.914 0.003 0.000 2.427 304 V HA 0.520 4.640 4.120 0.000 0.000 0.286 304 V C -0.335 175.690 176.094 -0.115 0.000 1.034 304 V CA -0.586 61.565 62.300 -0.248 0.000 0.893 304 V CB 1.513 33.174 31.823 -0.271 0.000 0.982 304 V HN 0.862 nan 8.190 nan 0.000 0.452 305 S N 3.651 119.239 115.700 -0.186 0.000 2.667 305 S HA 0.751 5.221 4.470 0.000 0.000 0.304 305 S C -0.167 174.374 174.600 -0.099 0.000 1.135 305 S CA -0.199 57.964 58.200 -0.063 0.000 1.125 305 S CB 0.607 63.827 63.200 0.033 0.000 0.996 305 S HN 1.078 nan 8.310 nan 0.000 0.474 306 A N 3.410 126.187 122.820 -0.072 0.000 2.282 306 A HA 0.857 5.177 4.320 0.000 0.000 0.319 306 A C -0.113 177.481 177.584 0.017 0.000 1.121 306 A CA -0.572 51.440 52.037 -0.041 0.000 0.836 306 A CB 1.014 19.984 19.000 -0.050 0.000 1.146 306 A HN 0.662 nan 8.150 nan 0.000 0.494 307 T N 1.113 115.713 114.554 0.078 0.000 3.348 307 T HA 0.388 4.738 4.350 0.000 0.000 0.328 307 T C -0.934 173.888 174.700 0.202 0.000 0.913 307 T CA -0.290 61.884 62.100 0.122 0.000 1.043 307 T CB 0.703 69.641 68.868 0.117 0.000 1.021 307 T HN 0.484 nan 8.240 nan 0.000 0.461 308 V N 4.880 124.895 119.914 0.168 0.000 2.509 308 V HA 0.571 4.691 4.120 0.000 0.000 0.284 308 V C 0.007 176.240 176.094 0.232 0.000 1.047 308 V CA -0.634 61.774 62.300 0.179 0.000 0.952 308 V CB 1.324 33.276 31.823 0.215 0.000 0.988 308 V HN 0.757 nan 8.190 nan 0.000 0.469 309 I N 5.099 125.745 120.570 0.127 0.000 2.447 309 I HA 0.371 4.541 4.170 0.000 0.000 0.287 309 I C -0.176 175.889 176.117 -0.086 0.000 1.023 309 I CA -0.549 60.810 61.300 0.098 0.000 1.083 309 I CB 1.873 39.967 38.000 0.155 0.000 1.245 309 I HN 0.417 nan 8.210 nan 0.000 0.434 310 L N 4.925 126.082 121.223 -0.111 0.000 2.492 310 L HA 0.022 4.362 4.340 0.000 0.000 0.280 310 L C 1.124 177.922 176.870 -0.120 0.000 1.240 310 L CA 0.061 54.791 54.840 -0.184 0.000 0.831 310 L CB 0.068 42.069 42.059 -0.097 0.000 1.100 310 L HN 0.632 nan 8.230 nan 0.000 0.505 311 H N -0.737 118.322 119.070 -0.018 0.000 2.561 311 H HA -0.085 4.471 4.556 0.000 0.000 0.278 311 H C 1.869 177.212 175.328 0.025 0.000 1.014 311 H CA 1.001 57.053 56.048 0.006 0.000 1.211 311 H CB 0.218 29.979 29.762 -0.001 0.000 1.365 311 H HN 0.688 nan 8.280 nan 0.000 0.594 312 S N -1.531 114.243 115.700 0.123 0.000 2.517 312 S HA 0.126 4.596 4.470 0.000 0.000 0.214 312 S C 1.878 176.526 174.600 0.080 0.000 0.991 312 S CA 0.200 58.459 58.200 0.099 0.000 0.906 312 S CB 0.289 63.547 63.200 0.097 0.000 0.789 312 S HN 0.518 nan 8.310 nan 0.000 0.513 313 G N 1.056 109.899 108.800 0.072 0.000 2.225 313 G HA2 -0.296 3.664 3.960 0.000 0.000 0.267 313 G HA3 -0.296 3.664 3.960 0.000 0.000 0.267 313 G C 0.737 175.683 174.900 0.077 0.000 1.024 313 G CA 0.632 45.773 45.100 0.069 0.000 0.784 313 G HN 0.588 nan 8.290 nan 0.000 0.507 314 S N -0.908 114.848 115.700 0.093 0.000 2.427 314 S HA 0.206 4.676 4.470 0.000 0.000 0.224 314 S C 0.806 175.482 174.600 0.127 0.000 1.047 314 S CA 0.958 59.219 58.200 0.102 0.000 0.953 314 S CB 0.333 63.598 63.200 0.110 0.000 0.824 314 S HN 0.631 nan 8.310 nan 0.000 0.502 315 D N -0.208 120.298 120.400 0.177 0.000 2.419 315 D HA 0.616 5.256 4.640 0.000 0.000 0.234 315 D C -0.925 175.538 176.300 0.271 0.000 1.014 315 D CA -0.504 53.640 54.000 0.240 0.000 0.919 315 D CB 1.520 42.549 40.800 0.383 0.000 1.366 315 D HN 0.066 nan 8.370 nan 0.000 0.490 316 M N 2.272 121.994 119.600 0.204 0.000 2.322 316 M HA 0.480 4.960 4.480 0.000 0.000 0.285 316 M C -2.227 174.074 176.300 0.001 0.000 1.119 316 M CA -0.561 54.836 55.300 0.162 0.000 0.953 316 M CB 1.706 34.361 32.600 0.090 0.000 1.701 316 M HN 0.143 nan 8.290 nan 0.000 0.479 317 V N 4.033 123.924 119.914 -0.038 0.000 2.656 317 V HA 0.488 4.609 4.120 0.000 0.000 0.307 317 V C -0.987 175.061 176.094 -0.076 0.000 1.051 317 V CA -0.571 61.603 62.300 -0.210 0.000 0.893 317 V CB 2.268 33.724 31.823 -0.611 0.000 0.999 317 V HN 0.862 nan 8.190 nan 0.000 0.426 318 Q N 2.657 122.410 119.800 -0.079 0.000 2.341 318 Q HA 0.760 5.101 4.340 0.000 0.000 0.268 318 Q C -0.315 175.657 176.000 -0.048 0.000 1.013 318 Q CA -0.320 55.460 55.803 -0.039 0.000 0.798 318 Q CB 2.310 31.031 28.738 -0.028 0.000 1.253 318 Q HN 0.926 nan 8.270 nan 0.000 0.457 319 A N 2.831 125.631 122.820 -0.034 0.000 2.282 319 A HA 0.778 5.098 4.320 0.000 0.000 0.324 319 A C -0.751 176.822 177.584 -0.018 0.000 1.119 319 A CA -0.406 51.612 52.037 -0.032 0.000 0.880 319 A CB 1.504 20.486 19.000 -0.031 0.000 1.294 319 A HN 0.731 nan 8.150 nan 0.000 0.493 320 E N -0.537 119.657 120.200 -0.010 0.000 2.481 320 E HA 0.387 4.737 4.350 0.000 0.000 0.301 320 E C -1.579 175.033 176.600 0.021 0.000 0.948 320 E CA -0.568 55.838 56.400 0.010 0.000 0.804 320 E CB 1.292 31.004 29.700 0.021 0.000 1.265 320 E HN 0.590 nan 8.360 nan 0.000 0.406 321 R N 2.288 122.808 120.500 0.034 0.000 2.343 321 R HA 0.516 4.856 4.340 0.000 0.000 0.320 321 R C -1.513 174.846 176.300 0.099 0.000 0.956 321 R CA -0.232 55.898 56.100 0.049 0.000 0.836 321 R CB 1.295 31.616 30.300 0.035 0.000 1.151 321 R HN 0.427 nan 8.270 nan 0.000 0.450 322 S N 2.080 117.836 115.700 0.092 0.000 2.526 322 S HA 0.742 5.212 4.470 0.000 0.000 0.293 322 S C 0.404 175.063 174.600 0.098 0.000 1.092 322 S CA -0.250 58.024 58.200 0.123 0.000 0.980 322 S CB 1.893 65.132 63.200 0.064 0.000 1.048 322 S HN 1.152 nan 8.310 nan 0.000 0.483 323 G N 1.216 110.087 108.800 0.119 0.000 2.148 323 G HA2 -0.149 3.811 3.960 0.000 0.000 0.157 323 G HA3 -0.149 3.811 3.960 0.000 0.000 0.157 323 G C -0.148 174.821 174.900 0.115 0.000 1.012 323 G CA -0.423 44.738 45.100 0.102 0.000 0.677 323 G HN 0.863 nan 8.290 nan 0.000 0.506 324 I N 2.391 123.038 120.570 0.129 0.000 2.576 324 I HA 0.175 4.345 4.170 0.000 0.000 0.288 324 I C -1.818 174.392 176.117 0.156 0.000 1.126 324 I CA -1.520 59.863 61.300 0.139 0.000 1.362 324 I CB 0.524 38.599 38.000 0.125 0.000 1.419 324 I HN -0.076 nan 8.210 nan 0.000 0.533 325 P HA 0.195 nan 4.420 nan 0.000 0.271 325 P C -0.380 177.047 177.300 0.210 0.000 1.216 325 P CA -0.027 63.173 63.100 0.166 0.000 0.776 325 P CB 0.647 32.435 31.700 0.147 0.000 0.881 326 I N 3.454 124.123 120.570 0.165 0.000 2.412 326 I HA 0.235 4.405 4.170 0.000 0.000 0.279 326 I C 0.206 176.386 176.117 0.106 0.000 1.063 326 I CA -0.723 60.686 61.300 0.181 0.000 1.193 326 I CB 0.565 38.658 38.000 0.155 0.000 1.370 326 I HN 0.103 nan 8.210 nan 0.000 0.479 327 V N 1.334 121.309 119.914 0.101 0.000 3.074 327 V HA 0.521 4.641 4.120 0.000 0.000 0.314 327 V C 0.898 177.033 176.094 0.068 0.000 1.117 327 V CA -0.435 61.892 62.300 0.045 0.000 1.014 327 V CB 1.494 33.312 31.823 -0.008 0.000 1.057 327 V HN 0.656 nan 8.190 nan 0.000 0.438 328 T N -2.119 112.482 114.554 0.078 0.000 3.100 328 T HA 0.198 4.548 4.350 0.000 0.000 0.253 328 T C 0.728 175.579 174.700 0.251 0.000 1.118 328 T CA 0.804 63.017 62.100 0.187 0.000 1.058 328 T CB -0.065 68.903 68.868 0.167 0.000 0.953 328 T HN 1.002 nan 8.240 nan 0.000 0.515 329 S N 1.310 117.049 115.700 0.065 0.000 2.571 329 S HA 0.532 5.002 4.470 0.000 0.000 0.284 329 S C -2.641 171.781 174.600 -0.296 0.000 1.128 329 S CA -1.427 56.750 58.200 -0.039 0.000 0.970 329 S CB 1.948 65.149 63.200 0.001 0.000 1.039 329 S HN -0.092 nan 8.310 nan 0.000 0.485 330 P HA 0.138 nan 4.420 nan 0.000 0.239 330 P C -0.968 175.658 177.300 -1.124 0.000 1.184 330 P CA 0.884 63.302 63.100 -1.137 0.000 0.760 330 P CB -0.169 30.942 31.700 -0.981 0.000 0.884 331 Y N -1.792 118.345 120.300 -0.273 0.000 2.638 331 Y HA 0.561 5.111 4.550 0.000 0.000 0.339 331 Y C 0.286 176.088 175.900 -0.163 0.000 1.084 331 Y CA -0.980 57.005 58.100 -0.192 0.000 1.068 331 Y CB 1.521 39.887 38.460 -0.156 0.000 1.294 331 Y HN -0.350 nan 8.280 nan 0.000 0.480 332 Q N 1.317 121.133 119.800 0.026 0.000 2.345 332 Q HA 0.661 5.001 4.340 0.000 0.000 0.275 332 Q C -1.662 174.225 176.000 -0.188 0.000 1.063 332 Q CA -0.758 54.990 55.803 -0.091 0.000 0.819 332 Q CB 3.437 32.153 28.738 -0.035 0.000 1.356 332 Q HN 0.531 nan 8.270 nan 0.000 0.418 333 I N 1.728 122.085 120.570 -0.354 0.000 2.433 333 I HA 0.421 4.591 4.170 0.000 0.000 0.292 333 I C -1.032 174.710 176.117 -0.626 0.000 1.001 333 I CA -0.718 60.340 61.300 -0.404 0.000 1.119 333 I CB 1.392 39.173 38.000 -0.365 0.000 1.289 333 I HN 0.581 nan 8.210 nan 0.000 0.438 334 H N 5.081 124.025 119.070 -0.210 0.000 2.667 334 H HA 0.368 4.924 4.556 0.000 0.000 0.353 334 H C -0.839 174.391 175.328 -0.163 0.000 1.072 334 H CA -0.423 55.584 56.048 -0.068 0.000 1.214 334 H CB 1.541 31.435 29.762 0.220 0.000 1.600 334 H HN 0.407 nan 8.280 nan 0.000 0.527 335 F N 1.043 121.135 119.950 0.238 0.000 2.898 335 F HA 0.078 4.605 4.527 0.000 0.000 0.290 335 F C 1.707 177.612 175.800 0.176 0.000 1.195 335 F CA -0.187 57.921 58.000 0.179 0.000 1.387 335 F CB -0.026 39.052 39.000 0.131 0.000 0.976 335 F HN 0.595 nan 8.300 nan 0.000 0.510 336 T N -3.628 111.104 114.554 0.298 0.000 3.085 336 T HA -0.029 4.321 4.350 0.000 0.000 0.263 336 T C 1.362 176.201 174.700 0.232 0.000 1.127 336 T CA 0.661 62.896 62.100 0.226 0.000 1.103 336 T CB -0.126 68.834 68.868 0.153 0.000 0.921 336 T HN 0.262 nan 8.240 nan 0.000 0.510 337 K N 0.910 121.413 120.400 0.171 0.000 2.414 337 K HA 0.215 4.536 4.320 0.000 0.000 0.204 337 K C -0.424 176.245 176.600 0.114 0.000 1.026 337 K CA -0.111 56.237 56.287 0.100 0.000 1.108 337 K CB 1.005 33.388 32.500 -0.195 0.000 0.855 337 K HN 0.198 nan 8.250 nan 0.000 0.517 338 T N 2.866 117.547 114.554 0.212 0.000 2.792 338 T HA 0.288 4.638 4.350 0.000 0.000 0.280 338 T C -2.727 172.121 174.700 0.248 0.000 0.990 338 T CA -1.927 60.294 62.100 0.202 0.000 0.960 338 T CB 1.872 70.925 68.868 0.308 0.000 0.939 338 T HN -0.159 nan 8.240 nan 0.000 0.439 339 P HA 0.082 nan 4.420 nan 0.000 0.265 339 P C 0.378 177.901 177.300 0.372 0.000 1.187 339 P CA -0.248 63.045 63.100 0.321 0.000 0.766 339 P CB 0.512 32.416 31.700 0.340 0.000 0.820 340 K N 1.897 122.412 120.400 0.191 0.000 2.446 340 K HA 0.166 4.486 4.320 0.000 0.000 0.203 340 K C -0.472 175.837 176.600 -0.486 0.000 1.027 340 K CA 0.118 56.318 56.287 -0.146 0.000 1.166 340 K CB -0.165 32.152 32.500 -0.304 0.000 0.869 340 K HN 0.521 nan 8.250 nan 0.000 0.504 341 Y N 0.269 120.700 120.300 0.218 0.000 2.433 341 Y HA 0.306 4.856 4.550 0.000 0.000 0.337 341 Y C -0.239 175.798 175.900 0.228 0.000 1.026 341 Y CA -1.828 56.360 58.100 0.147 0.000 1.037 341 Y CB 1.247 39.787 38.460 0.133 0.000 1.245 341 Y HN -0.018 nan 8.280 nan 0.000 0.443 342 F N -0.267 119.717 119.950 0.056 0.000 2.523 342 F HA 0.902 5.429 4.527 0.000 0.000 0.329 342 F C -1.053 174.799 175.800 0.086 0.000 1.061 342 F CA -1.604 56.401 58.000 0.008 0.000 0.967 342 F CB 1.221 39.930 39.000 -0.484 0.000 1.218 342 F HN 0.108 nan 8.300 nan 0.000 0.480 343 K N 2.750 123.226 120.400 0.126 0.000 2.253 343 K HA 0.400 4.720 4.320 0.000 0.000 0.277 343 K C -2.740 173.734 176.600 -0.211 0.000 1.053 343 K CA -2.027 54.142 56.287 -0.197 0.000 0.892 343 K CB 0.769 33.189 32.500 -0.134 0.000 1.102 343 K HN 0.288 nan 8.250 nan 0.000 0.469 344 P HA -0.026 nan 4.420 nan 0.000 0.257 344 P C 0.512 177.721 177.300 -0.153 0.000 1.189 344 P CA 0.898 63.922 63.100 -0.126 0.000 0.780 344 P CB 0.420 32.017 31.700 -0.172 0.000 0.772 345 G N 2.458 111.252 108.800 -0.010 0.000 2.132 345 G HA2 -0.237 3.723 3.960 0.000 0.000 0.234 345 G HA3 -0.237 3.723 3.960 0.000 0.000 0.234 345 G C -0.070 174.784 174.900 -0.077 0.000 0.989 345 G CA -0.312 44.763 45.100 -0.042 0.000 0.676 345 G HN 0.460 nan 8.290 nan 0.000 0.522 346 M N -0.329 119.221 119.600 -0.083 0.000 2.518 346 M HA 0.416 4.896 4.480 0.000 0.000 0.300 346 M C -2.790 173.428 176.300 -0.135 0.000 1.175 346 M CA -2.198 53.025 55.300 -0.130 0.000 0.890 346 M CB 2.166 34.668 32.600 -0.164 0.000 1.710 346 M HN -0.176 nan 8.290 nan 0.000 0.453 347 P HA 0.010 nan 4.420 nan 0.000 0.260 347 P C -1.265 175.941 177.300 -0.157 0.000 1.207 347 P CA 0.327 63.315 63.100 -0.186 0.000 0.780 347 P CB -0.178 31.391 31.700 -0.218 0.000 0.789 348 F N 4.176 124.059 119.950 -0.112 0.000 2.410 348 F HA 0.288 4.815 4.527 0.000 0.000 0.349 348 F C -0.003 175.816 175.800 0.030 0.000 1.117 348 F CA -0.647 57.359 58.000 0.009 0.000 1.104 348 F CB 0.706 39.721 39.000 0.025 0.000 1.122 348 F HN 0.174 nan 8.300 nan 0.000 0.483 349 D N 6.431 126.460 120.400 -0.618 0.000 2.225 349 D HA 0.359 4.999 4.640 0.000 0.000 0.248 349 D C -0.900 175.008 176.300 -0.654 0.000 1.096 349 D CA 0.038 53.763 54.000 -0.458 0.000 0.863 349 D CB 1.689 42.338 40.800 -0.252 0.000 1.156 349 D HN 0.328 nan 8.370 nan 0.000 0.450 350 L N 2.594 123.656 121.223 -0.268 0.000 2.298 350 L HA 0.329 4.669 4.340 0.000 0.000 0.284 350 L C 0.110 176.976 176.870 -0.008 0.000 1.013 350 L CA -0.308 54.487 54.840 -0.075 0.000 0.824 350 L CB 1.241 43.365 42.059 0.108 0.000 1.221 350 L HN 0.186 nan 8.230 nan 0.000 0.418 351 M N 4.206 123.819 119.600 0.023 0.000 3.117 351 M HA 0.260 4.740 4.480 0.000 0.000 0.292 351 M C -0.462 175.887 176.300 0.082 0.000 1.357 351 M CA -0.429 54.879 55.300 0.013 0.000 1.463 351 M CB 0.402 32.972 32.600 -0.051 0.000 1.105 351 M HN 0.140 nan 8.290 nan 0.000 0.553 352 V N 3.043 122.995 119.914 0.063 0.000 2.540 352 V HA -0.038 4.082 4.120 0.000 0.000 0.297 352 V C -0.102 176.031 176.094 0.065 0.000 1.024 352 V CA 0.264 62.564 62.300 -0.000 0.000 1.105 352 V CB -0.023 31.773 31.823 -0.044 0.000 0.938 352 V HN 0.516 nan 8.190 nan 0.000 0.482 353 F N 6.516 126.393 119.950 -0.122 0.000 2.310 353 F HA 0.522 5.049 4.527 0.000 0.000 0.365 353 F C -0.040 175.761 175.800 0.001 0.000 1.080 353 F CA -0.804 57.172 58.000 -0.040 0.000 1.187 353 F CB 0.828 39.834 39.000 0.009 0.000 1.465 353 F HN 0.256 nan 8.300 nan 0.000 0.496 354 V N 4.419 124.154 119.914 -0.299 0.000 2.530 354 V HA 0.464 4.584 4.120 0.000 0.000 0.282 354 V C 0.238 176.100 176.094 -0.387 0.000 1.048 354 V CA -0.015 62.118 62.300 -0.278 0.000 0.997 354 V CB 1.133 32.837 31.823 -0.198 0.000 0.987 354 V HN 0.778 nan 8.190 nan 0.000 0.477 355 T N 1.365 115.778 114.554 -0.235 0.000 2.903 355 T HA 0.482 4.832 4.350 0.000 0.000 0.299 355 T C -0.490 174.195 174.700 -0.025 0.000 1.093 355 T CA -1.040 60.949 62.100 -0.186 0.000 1.002 355 T CB 1.617 70.333 68.868 -0.254 0.000 1.127 355 T HN 0.408 nan 8.240 nan 0.000 0.488 356 N N 2.015 120.706 118.700 -0.015 0.000 2.444 356 N HA 0.247 4.987 4.740 0.000 0.000 0.255 356 N C -1.730 173.762 175.510 -0.030 0.000 1.255 356 N CA -1.786 51.239 53.050 -0.042 0.000 0.933 356 N CB 0.585 39.077 38.487 0.008 0.000 1.143 356 N HN 0.408 nan 8.380 nan 0.000 0.453 357 P HA -0.167 nan 4.420 nan 0.000 0.218 357 P C 0.675 178.007 177.300 0.054 0.000 1.146 357 P CA 1.284 64.367 63.100 -0.028 0.000 0.813 357 P CB 0.192 31.854 31.700 -0.062 0.000 0.778 358 D N -2.075 118.370 120.400 0.076 0.000 2.162 358 D HA -0.014 4.626 4.640 0.000 0.000 0.203 358 D C 1.676 178.019 176.300 0.071 0.000 0.967 358 D CA 1.816 55.867 54.000 0.085 0.000 0.840 358 D CB -0.814 40.042 40.800 0.094 0.000 0.972 358 D HN 0.280 nan 8.370 nan 0.000 0.482 359 G N -0.196 108.639 108.800 0.059 0.000 3.033 359 G HA2 -0.143 3.817 3.960 0.000 0.000 0.208 359 G HA3 -0.143 3.817 3.960 0.000 0.000 0.208 359 G C 0.211 175.138 174.900 0.045 0.000 1.006 359 G CA 0.226 45.359 45.100 0.056 0.000 0.808 359 G HN 0.681 nan 8.290 nan 0.000 0.499 360 S N 2.557 118.285 115.700 0.046 0.000 2.549 360 S HA 0.572 5.042 4.470 0.000 0.000 0.283 360 S C -1.921 172.683 174.600 0.006 0.000 1.320 360 S CA -0.821 57.406 58.200 0.044 0.000 1.058 360 S CB 1.482 64.714 63.200 0.052 0.000 0.882 360 S HN 0.355 nan 8.310 nan 0.000 0.498 361 P HA 0.166 nan 4.420 nan 0.000 0.267 361 P C -0.722 176.580 177.300 0.004 0.000 1.200 361 P CA -0.073 62.983 63.100 -0.074 0.000 0.772 361 P CB 0.311 32.022 31.700 0.017 0.000 0.855 362 A N 3.601 126.417 122.820 -0.007 0.000 2.276 362 A HA 0.375 4.696 4.320 0.000 0.000 0.316 362 A C -0.909 176.742 177.584 0.112 0.000 1.229 362 A CA -0.614 51.484 52.037 0.101 0.000 0.851 362 A CB 0.094 19.207 19.000 0.189 0.000 1.165 362 A HN 0.590 nan 8.150 nan 0.000 0.513 363 Y N 2.454 122.769 120.300 0.026 0.000 2.308 363 Y HA 0.483 5.033 4.550 0.000 0.000 0.329 363 Y C 0.788 176.687 175.900 -0.002 0.000 1.111 363 Y CA -0.011 58.092 58.100 0.005 0.000 1.179 363 Y CB 0.621 39.088 38.460 0.012 0.000 1.201 363 Y HN 0.867 nan 8.280 nan 0.000 0.483 364 R N 2.945 123.015 120.500 -0.716 0.000 2.873 364 R HA -0.122 4.218 4.340 0.000 0.000 0.281 364 R C -1.776 174.355 176.300 -0.282 0.000 0.933 364 R CA 0.662 56.433 56.100 -0.548 0.000 0.712 364 R CB -1.340 28.646 30.300 -0.523 0.000 1.780 364 R HN 0.405 nan 8.270 nan 0.000 0.488 365 V N 3.155 122.901 119.914 -0.281 0.000 2.501 365 V HA 0.403 4.523 4.120 0.000 0.000 0.277 365 V C -2.073 173.856 176.094 -0.276 0.000 1.004 365 V CA -1.981 60.125 62.300 -0.324 0.000 0.862 365 V CB 1.816 33.340 31.823 -0.498 0.000 1.035 365 V HN 0.235 nan 8.190 nan 0.000 0.448 366 P HA 0.173 nan 4.420 nan 0.000 0.265 366 P C -0.470 176.731 177.300 -0.164 0.000 1.187 366 P CA 0.602 63.602 63.100 -0.168 0.000 0.766 366 P CB 1.227 32.845 31.700 -0.136 0.000 0.820 367 V N -1.007 118.833 119.914 -0.123 0.000 3.130 367 V HA 0.992 5.112 4.120 0.000 0.000 0.310 367 V C -0.737 175.322 176.094 -0.060 0.000 1.158 367 V CA -1.032 61.208 62.300 -0.099 0.000 1.029 367 V CB 1.596 33.361 31.823 -0.097 0.000 1.057 367 V HN 0.840 nan 8.190 nan 0.000 0.436 368 A N 1.069 123.868 122.820 -0.036 0.000 2.515 368 A HA 0.930 5.250 4.320 0.000 0.000 0.299 368 A C -0.944 176.646 177.584 0.009 0.000 1.179 368 A CA -0.265 51.762 52.037 -0.017 0.000 0.656 368 A CB 1.241 20.226 19.000 -0.026 0.000 1.306 368 A HN 1.650 nan 8.150 nan 0.000 0.459 369 V N 0.228 120.148 119.914 0.009 0.000 3.096 369 V HA 0.340 4.460 4.120 0.000 0.000 0.319 369 V C 1.645 177.743 176.094 0.006 0.000 1.082 369 V CA 0.157 62.468 62.300 0.019 0.000 1.022 369 V CB 1.364 33.193 31.823 0.011 0.000 1.103 369 V HN 1.097 nan 8.190 nan 0.000 0.455 370 Q N 1.875 121.679 119.800 0.006 0.000 1.998 370 Q HA -0.095 4.245 4.340 0.000 0.000 0.209 370 Q C 1.228 177.223 176.000 -0.008 0.000 1.002 370 Q CA 2.292 58.094 55.803 -0.002 0.000 0.858 370 Q CB -0.949 27.785 28.738 -0.007 0.000 0.932 370 Q HN 0.985 nan 8.270 nan 0.000 0.416 371 G N -1.098 107.696 108.800 -0.010 0.000 2.504 371 G HA2 0.218 4.178 3.960 0.000 0.000 0.257 371 G HA3 0.218 4.178 3.960 0.000 0.000 0.257 371 G C -0.855 174.038 174.900 -0.012 0.000 1.451 371 G CA -0.035 45.059 45.100 -0.011 0.000 1.059 371 G HN 0.391 nan 8.290 nan 0.000 0.550 372 E N -0.018 120.175 120.200 -0.012 0.000 2.273 372 E HA -0.144 4.207 4.350 0.000 0.000 0.177 372 E C 0.372 176.962 176.600 -0.016 0.000 1.511 372 E CA 0.704 57.096 56.400 -0.014 0.000 0.675 372 E CB -0.845 28.846 29.700 -0.015 0.000 1.094 372 E HN 0.520 nan 8.360 nan 0.000 0.348 373 D N -0.611 119.780 120.400 -0.016 0.000 2.265 373 D HA -0.121 4.519 4.640 0.000 0.000 0.208 373 D C 1.716 178.004 176.300 -0.021 0.000 0.977 373 D CA 1.715 55.704 54.000 -0.018 0.000 0.871 373 D CB -0.004 40.786 40.800 -0.017 0.000 0.925 373 D HN 0.454 nan 8.370 nan 0.000 0.485 374 T N -0.412 114.130 114.554 -0.020 0.000 2.942 374 T HA -0.035 4.315 4.350 0.000 0.000 0.265 374 T C 0.927 175.613 174.700 -0.025 0.000 1.062 374 T CA 0.044 62.130 62.100 -0.022 0.000 1.139 374 T CB -0.089 68.767 68.868 -0.019 0.000 0.883 374 T HN -0.081 nan 8.240 nan 0.000 0.468 375 V N 2.294 122.193 119.914 -0.023 0.000 2.585 375 V HA 0.320 4.440 4.120 0.000 0.000 0.296 375 V C -0.326 175.750 176.094 -0.030 0.000 1.035 375 V CA 0.376 62.661 62.300 -0.025 0.000 1.084 375 V CB 0.867 32.678 31.823 -0.021 0.000 0.953 375 V HN 0.580 nan 8.190 nan 0.000 0.483 376 Q N 3.650 123.429 119.800 -0.035 0.000 2.590 376 Q HA 0.713 5.053 4.340 0.000 0.000 0.295 376 Q C -1.458 174.512 176.000 -0.049 0.000 0.973 376 Q CA -0.643 55.134 55.803 -0.045 0.000 0.768 376 Q CB 2.633 31.342 28.738 -0.049 0.000 1.479 376 Q HN 0.898 nan 8.270 nan 0.000 0.419 377 S N 0.112 115.775 115.700 -0.063 0.000 2.583 377 S HA 0.467 4.937 4.470 0.000 0.000 0.294 377 S C -1.639 172.904 174.600 -0.094 0.000 1.121 377 S CA -0.766 57.393 58.200 -0.069 0.000 0.910 377 S CB 0.586 63.752 63.200 -0.056 0.000 1.102 377 S HN 0.347 nan 8.310 nan 0.000 0.451 378 L N 2.189 123.348 121.223 -0.107 0.000 2.439 378 L HA 0.635 4.976 4.340 0.000 0.000 0.259 378 L C 0.880 177.660 176.870 -0.151 0.000 1.129 378 L CA 0.242 54.993 54.840 -0.148 0.000 0.803 378 L CB 1.077 43.035 42.059 -0.169 0.000 1.161 378 L HN 0.879 nan 8.230 nan 0.000 0.462 379 T N 1.291 115.728 114.554 -0.195 0.000 2.845 379 T HA 0.359 4.709 4.350 0.000 0.000 0.288 379 T C 0.143 174.739 174.700 -0.172 0.000 0.980 379 T CA -0.549 61.456 62.100 -0.157 0.000 1.071 379 T CB 0.866 69.642 68.868 -0.153 0.000 0.941 379 T HN 0.447 nan 8.240 nan 0.000 0.487 380 Q N 1.152 120.927 119.800 -0.042 0.000 2.370 380 Q HA 0.362 4.702 4.340 0.000 0.000 0.186 380 Q C 1.896 178.064 176.000 0.281 0.000 1.093 380 Q CA -0.526 55.320 55.803 0.073 0.000 1.142 380 Q CB 0.149 28.924 28.738 0.061 0.000 1.175 380 Q HN 0.830 nan 8.270 nan 0.000 0.625 381 G N 0.606 109.617 108.800 0.351 0.000 2.534 381 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 381 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 381 G C 0.740 175.727 174.900 0.145 0.000 1.128 381 G CA 0.934 46.191 45.100 0.262 0.000 0.784 381 G HN 0.752 nan 8.290 nan 0.000 0.542 382 D N -0.536 119.938 120.400 0.123 0.000 2.333 382 D HA 0.148 4.789 4.640 0.000 0.000 0.208 382 D C 1.684 178.088 176.300 0.173 0.000 0.984 382 D CA 0.858 54.926 54.000 0.113 0.000 0.873 382 D CB -0.502 40.340 40.800 0.070 0.000 0.935 382 D HN 0.500 nan 8.370 nan 0.000 0.521 383 G N -0.511 108.370 108.800 0.135 0.000 2.134 383 G HA2 -0.157 3.803 3.960 0.000 0.000 0.209 383 G HA3 -0.157 3.803 3.960 0.000 0.000 0.209 383 G C -0.223 174.740 174.900 0.104 0.000 0.993 383 G CA 0.063 45.195 45.100 0.053 0.000 0.669 383 G HN 0.371 nan 8.290 nan 0.000 0.519 384 V N 0.472 120.461 119.914 0.125 0.000 2.540 384 V HA 0.864 4.984 4.120 0.000 0.000 0.302 384 V C 0.543 176.646 176.094 0.014 0.000 1.035 384 V CA -0.273 62.092 62.300 0.108 0.000 0.873 384 V CB 1.644 33.512 31.823 0.074 0.000 0.992 384 V HN 1.140 nan 8.190 nan 0.000 0.428 385 A N 3.765 126.580 122.820 -0.008 0.000 2.306 385 A HA 0.853 5.173 4.320 0.000 0.000 0.330 385 A C -0.399 177.163 177.584 -0.036 0.000 1.146 385 A CA -0.713 51.300 52.037 -0.040 0.000 0.827 385 A CB 1.260 20.224 19.000 -0.060 0.000 1.178 385 A HN 0.700 nan 8.150 nan 0.000 0.490 386 K N 1.771 122.144 120.400 -0.046 0.000 2.292 386 K HA 0.622 4.942 4.320 0.000 0.000 0.270 386 K C -1.473 175.102 176.600 -0.042 0.000 1.062 386 K CA 0.177 56.435 56.287 -0.049 0.000 0.916 386 K CB -0.120 32.348 32.500 -0.053 0.000 1.166 386 K HN 0.592 nan 8.250 nan 0.000 0.458 387 L N 2.715 123.917 121.223 -0.036 0.000 2.354 387 L HA 0.620 4.960 4.340 0.000 0.000 0.269 387 L C -0.726 176.121 176.870 -0.038 0.000 1.005 387 L CA -0.867 53.959 54.840 -0.023 0.000 0.819 387 L CB 2.340 44.406 42.059 0.011 0.000 1.311 387 L HN 0.846 nan 8.230 nan 0.000 0.423 388 S N 2.551 118.234 115.700 -0.028 0.000 2.614 388 S HA 0.743 5.213 4.470 0.000 0.000 0.275 388 S C -0.888 173.703 174.600 -0.015 0.000 1.161 388 S CA -0.769 57.412 58.200 -0.033 0.000 0.969 388 S CB 1.608 64.782 63.200 -0.043 0.000 1.059 388 S HN 0.578 nan 8.310 nan 0.000 0.482 389 I N -0.183 120.392 120.570 0.008 0.000 2.785 389 I HA 0.655 4.825 4.170 0.000 0.000 0.302 389 I C -1.012 175.084 176.117 -0.033 0.000 1.069 389 I CA -1.205 60.091 61.300 -0.007 0.000 1.045 389 I CB 2.049 40.055 38.000 0.010 0.000 1.236 389 I HN 0.613 nan 8.210 nan 0.000 0.429 390 N N 2.317 120.967 118.700 -0.084 0.000 2.438 390 N HA 0.486 5.226 4.740 0.000 0.000 0.282 390 N C -0.930 174.449 175.510 -0.219 0.000 1.037 390 N CA -0.435 52.534 53.050 -0.135 0.000 0.942 390 N CB 1.763 40.162 38.487 -0.147 0.000 1.136 390 N HN 0.642 nan 8.380 nan 0.000 0.481 391 T N 0.741 115.170 114.554 -0.209 0.000 2.945 391 T HA 0.311 4.661 4.350 0.000 0.000 0.286 391 T C -0.375 174.166 174.700 -0.266 0.000 1.025 391 T CA -0.659 61.295 62.100 -0.244 0.000 1.039 391 T CB 0.901 69.665 68.868 -0.172 0.000 1.068 391 T HN 0.350 nan 8.240 nan 0.000 0.497 392 H N 1.074 120.126 119.070 -0.030 0.000 2.488 392 H HA 0.224 4.780 4.556 0.000 0.000 0.347 392 H C -2.015 173.338 175.328 0.043 0.000 1.174 392 H CA -2.191 53.859 56.048 0.003 0.000 1.307 392 H CB 0.730 30.489 29.762 -0.005 0.000 1.517 392 H HN 0.289 nan 8.280 nan 0.000 0.554 393 P HA -0.043 nan 4.420 nan 0.000 0.285 393 P C -0.287 177.092 177.300 0.133 0.000 1.521 393 P CA 0.180 63.352 63.100 0.121 0.000 0.792 393 P CB -0.426 31.336 31.700 0.103 0.000 1.613 394 S N -0.807 114.990 115.700 0.163 0.000 2.499 394 S HA 0.226 4.696 4.470 0.000 0.000 0.279 394 S C 0.864 175.564 174.600 0.167 0.000 1.219 394 S CA -0.698 57.584 58.200 0.136 0.000 1.062 394 S CB 1.174 64.438 63.200 0.106 0.000 0.978 394 S HN -0.026 nan 8.310 nan 0.000 0.489 395 Q N 1.123 120.995 119.800 0.120 0.000 2.373 395 Q HA 0.146 4.486 4.340 0.000 0.000 0.206 395 Q C 0.039 176.106 176.000 0.113 0.000 0.942 395 Q CA 0.328 56.194 55.803 0.104 0.000 0.953 395 Q CB -0.204 28.579 28.738 0.075 0.000 1.022 395 Q HN 0.729 nan 8.270 nan 0.000 0.502 396 K N 1.883 122.365 120.400 0.136 0.000 2.172 396 K HA 0.268 4.588 4.320 0.000 0.000 0.276 396 K C -2.426 174.277 176.600 0.173 0.000 1.013 396 K CA -1.953 54.401 56.287 0.111 0.000 0.913 396 K CB 0.896 33.433 32.500 0.061 0.000 1.055 396 K HN -0.188 nan 8.250 nan 0.000 0.461 397 P HA -0.146 nan 4.420 nan 0.000 0.264 397 P C -1.016 176.303 177.300 0.031 0.000 1.173 397 P CA 0.268 63.453 63.100 0.142 0.000 0.761 397 P CB 0.380 32.111 31.700 0.051 0.000 0.794 398 L N 2.458 123.634 121.223 -0.078 0.000 2.265 398 L HA 0.333 4.673 4.340 0.000 0.000 0.289 398 L C 0.125 176.832 176.870 -0.272 0.000 1.033 398 L CA -0.377 54.244 54.840 -0.366 0.000 0.814 398 L CB 0.916 42.376 42.059 -0.998 0.000 1.203 398 L HN 0.305 nan 8.230 nan 0.000 0.423 399 S N 5.190 120.771 115.700 -0.198 0.000 2.429 399 S HA 0.652 5.123 4.470 0.000 0.000 0.302 399 S C -0.582 173.918 174.600 -0.167 0.000 1.115 399 S CA -0.530 57.571 58.200 -0.164 0.000 1.095 399 S CB 0.438 63.575 63.200 -0.104 0.000 0.987 399 S HN 0.432 nan 8.310 nan 0.000 0.474 400 I N 4.047 124.501 120.570 -0.193 0.000 2.465 400 I HA 0.356 4.526 4.170 0.000 0.000 0.291 400 I C -0.116 175.929 176.117 -0.120 0.000 1.014 400 I CA -0.200 61.005 61.300 -0.157 0.000 1.093 400 I CB 2.321 40.217 38.000 -0.174 0.000 1.267 400 I HN 0.434 nan 8.210 nan 0.000 0.431 401 T N 5.213 119.751 114.554 -0.027 0.000 2.809 401 T HA 0.507 4.857 4.350 0.000 0.000 0.296 401 T C -0.287 174.476 174.700 0.104 0.000 1.015 401 T CA -0.473 61.655 62.100 0.047 0.000 0.954 401 T CB 1.100 69.983 68.868 0.025 0.000 0.950 401 T HN 0.189 nan 8.240 nan 0.000 0.450 402 V N 4.393 124.447 119.914 0.232 0.000 2.465 402 V HA 0.528 4.648 4.120 0.000 0.000 0.279 402 V C 0.381 176.521 176.094 0.077 0.000 1.045 402 V CA -0.699 61.710 62.300 0.182 0.000 0.938 402 V CB 1.321 33.316 31.823 0.285 0.000 0.986 402 V HN 0.680 nan 8.190 nan 0.000 0.467 403 R N 2.502 123.015 120.500 0.022 0.000 2.513 403 R HA 0.427 4.767 4.340 0.000 0.000 0.301 403 R C -0.167 176.100 176.300 -0.054 0.000 0.968 403 R CA -0.369 55.722 56.100 -0.015 0.000 0.872 403 R CB 1.684 31.978 30.300 -0.010 0.000 1.177 403 R HN 0.789 nan 8.270 nan 0.000 0.444 404 T N 2.430 116.933 114.554 -0.085 0.000 2.928 404 T HA 0.097 4.447 4.350 0.000 0.000 0.305 404 T C 0.145 174.773 174.700 -0.120 0.000 1.035 404 T CA 0.113 62.127 62.100 -0.143 0.000 1.145 404 T CB 0.426 69.170 68.868 -0.207 0.000 0.963 404 T HN 0.458 nan 8.240 nan 0.000 0.545 405 K N 3.716 124.034 120.400 -0.136 0.000 3.045 405 K HA 0.204 4.524 4.320 0.000 0.000 0.211 405 K C -0.025 176.506 176.600 -0.115 0.000 1.141 405 K CA -0.540 55.686 56.287 -0.102 0.000 1.036 405 K CB 0.647 33.099 32.500 -0.081 0.000 0.851 405 K HN 0.428 nan 8.250 nan 0.000 0.462 406 K N 2.120 122.431 120.400 -0.148 0.000 2.339 406 K HA 0.129 4.449 4.320 0.000 0.000 0.286 406 K C 0.357 176.918 176.600 -0.065 0.000 1.050 406 K CA 0.238 56.446 56.287 -0.132 0.000 0.956 406 K CB 0.666 33.047 32.500 -0.197 0.000 0.990 406 K HN 0.296 nan 8.250 nan 0.000 0.475 407 Q N 2.086 121.855 119.800 -0.051 0.000 2.700 407 Q HA -0.054 4.286 4.340 0.000 0.000 0.191 407 Q C 0.290 176.279 176.000 -0.018 0.000 1.134 407 Q CA 0.355 56.138 55.803 -0.033 0.000 1.193 407 Q CB 0.262 28.981 28.738 -0.031 0.000 1.250 407 Q HN 0.634 nan 8.270 nan 0.000 0.670 408 E N -2.388 117.801 120.200 -0.017 0.000 4.250 408 E HA -0.280 4.070 4.350 0.000 0.000 0.325 408 E C -0.522 176.064 176.600 -0.024 0.000 0.640 408 E CA 0.972 57.364 56.400 -0.015 0.000 1.343 408 E CB -0.977 28.721 29.700 -0.003 0.000 1.759 408 E HN 0.217 nan 8.360 nan 0.000 0.401 409 L N -0.166 121.043 121.223 -0.023 0.000 2.585 409 L HA 0.572 4.912 4.340 0.000 0.000 0.260 409 L C 0.615 177.464 176.870 -0.036 0.000 1.085 409 L CA 0.161 54.978 54.840 -0.039 0.000 0.913 409 L CB 0.971 43.015 42.059 -0.024 0.000 1.638 409 L HN 0.150 nan 8.230 nan 0.000 0.531 410 S N -2.363 113.315 115.700 -0.038 0.000 2.671 410 S HA 0.429 4.899 4.470 0.000 0.000 0.299 410 S C 0.232 174.819 174.600 -0.022 0.000 1.116 410 S CA -0.677 57.505 58.200 -0.030 0.000 0.912 410 S CB 1.478 64.659 63.200 -0.033 0.000 1.130 410 S HN 0.443 nan 8.310 nan 0.000 0.501 411 E N 0.370 120.557 120.200 -0.021 0.000 2.463 411 E HA -0.035 4.315 4.350 0.000 0.000 0.201 411 E C 1.644 178.239 176.600 -0.009 0.000 1.045 411 E CA 0.990 57.380 56.400 -0.016 0.000 0.872 411 E CB -0.354 29.335 29.700 -0.018 0.000 0.797 411 E HN 0.717 nan 8.360 nan 0.000 0.538 412 A N 0.631 123.445 122.820 -0.010 0.000 2.044 412 A HA -0.013 4.307 4.320 0.000 0.000 0.213 412 A C 1.686 179.293 177.584 0.038 0.000 1.169 412 A CA 0.202 52.239 52.037 -0.001 0.000 0.724 412 A CB 0.137 19.118 19.000 -0.033 0.000 0.840 412 A HN 0.073 nan 8.150 nan 0.000 0.463 413 E N 0.368 120.589 120.200 0.035 0.000 2.479 413 E HA 0.028 4.378 4.350 0.000 0.000 0.193 413 E C -0.231 176.395 176.600 0.043 0.000 1.049 413 E CA -0.129 56.305 56.400 0.057 0.000 0.870 413 E CB 0.174 29.846 29.700 -0.047 0.000 0.944 413 E HN 0.512 nan 8.360 nan 0.000 0.492 414 Q N 0.462 120.281 119.800 0.030 0.000 2.259 414 Q HA 0.453 4.793 4.340 0.000 0.000 0.246 414 Q C -0.322 175.693 176.000 0.024 0.000 0.920 414 Q CA -0.264 55.554 55.803 0.026 0.000 0.895 414 Q CB 1.519 30.255 28.738 -0.004 0.000 1.220 414 Q HN 0.059 nan 8.270 nan 0.000 0.439 415 A N 1.399 124.231 122.820 0.019 0.000 2.304 415 A HA 0.608 4.928 4.320 0.000 0.000 0.323 415 A C -0.188 177.382 177.584 -0.024 0.000 1.195 415 A CA -0.385 51.651 52.037 -0.002 0.000 0.826 415 A CB 1.262 20.259 19.000 -0.006 0.000 1.184 415 A HN 0.579 nan 8.150 nan 0.000 0.496 416 T N 0.612 115.158 114.554 -0.014 0.000 2.924 416 T HA 0.751 5.101 4.350 0.000 0.000 0.291 416 T C -0.714 173.995 174.700 0.014 0.000 1.045 416 T CA -0.593 61.507 62.100 0.000 0.000 1.015 416 T CB 1.098 69.976 68.868 0.017 0.000 1.103 416 T HN 0.929 nan 8.240 nan 0.000 0.496 417 R N 1.146 121.691 120.500 0.075 0.000 2.643 417 R HA 0.644 4.985 4.340 0.000 0.000 0.269 417 R C -1.661 174.839 176.300 0.334 0.000 1.037 417 R CA -0.378 55.822 56.100 0.166 0.000 0.894 417 R CB 1.821 32.179 30.300 0.097 0.000 1.238 417 R HN 0.696 nan 8.270 nan 0.000 0.459 418 T N 4.581 119.276 114.554 0.234 0.000 2.861 418 T HA 0.626 4.976 4.350 0.000 0.000 0.287 418 T C -0.410 174.271 174.700 -0.031 0.000 1.003 418 T CA -0.736 61.413 62.100 0.082 0.000 0.977 418 T CB 1.078 69.959 68.868 0.022 0.000 0.996 418 T HN 0.650 nan 8.240 nan 0.000 0.448 419 M N 1.528 120.950 119.600 -0.297 0.000 2.755 419 M HA 0.719 5.199 4.480 0.000 0.000 0.298 419 M C -1.333 174.818 176.300 -0.248 0.000 1.251 419 M CA -1.037 54.075 55.300 -0.314 0.000 0.817 419 M CB 2.385 34.611 32.600 -0.623 0.000 1.760 419 M HN 0.474 nan 8.290 nan 0.000 0.473 420 Q N 1.198 120.882 119.800 -0.193 0.000 2.275 420 Q HA 0.728 5.068 4.340 0.000 0.000 0.266 420 Q C -2.091 173.804 176.000 -0.176 0.000 1.002 420 Q CA -0.556 55.148 55.803 -0.164 0.000 0.761 420 Q CB 2.302 30.979 28.738 -0.103 0.000 1.255 420 Q HN 0.954 nan 8.270 nan 0.000 0.446 421 A N 4.731 127.440 122.820 -0.186 0.000 2.312 421 A HA 0.719 5.040 4.320 0.000 0.000 0.326 421 A C -1.011 176.631 177.584 0.097 0.000 1.172 421 A CA -0.603 51.350 52.037 -0.139 0.000 0.821 421 A CB 0.754 19.585 19.000 -0.281 0.000 1.166 421 A HN 0.789 nan 8.150 nan 0.000 0.493 422 L N 2.650 123.874 121.223 0.001 0.000 2.325 422 L HA 0.424 4.764 4.340 0.000 0.000 0.278 422 L C -2.313 174.477 176.870 -0.133 0.000 1.023 422 L CA -2.235 52.646 54.840 0.068 0.000 0.811 422 L CB 2.025 44.131 42.059 0.078 0.000 1.249 422 L HN 0.433 nan 8.230 nan 0.000 0.431 423 P HA -0.086 nan 4.420 nan 0.000 0.269 423 P C -1.165 176.033 177.300 -0.170 0.000 1.215 423 P CA -0.011 62.650 63.100 -0.732 0.000 0.780 423 P CB 0.238 31.707 31.700 -0.385 0.000 0.898 424 Y N 2.334 122.530 120.300 -0.172 0.000 2.584 424 Y HA 0.159 4.709 4.550 0.000 0.000 0.351 424 Y C 0.708 176.666 175.900 0.096 0.000 1.030 424 Y CA -0.037 58.084 58.100 0.034 0.000 1.332 424 Y CB 0.113 38.678 38.460 0.174 0.000 1.148 424 Y HN 0.206 nan 8.280 nan 0.000 0.528 425 S N 5.406 120.889 115.700 -0.361 0.000 2.466 425 S HA 0.132 4.602 4.470 0.000 0.000 0.286 425 S C -0.018 174.339 174.600 -0.406 0.000 1.221 425 S CA -0.390 57.641 58.200 -0.282 0.000 1.091 425 S CB -0.288 62.770 63.200 -0.237 0.000 0.956 425 S HN 0.798 nan 8.310 nan 0.000 0.501 426 T N 4.523 118.977 114.554 -0.167 0.000 2.922 426 T HA 0.289 4.639 4.350 0.000 0.000 0.285 426 T C -0.003 174.640 174.700 -0.095 0.000 1.005 426 T CA -0.688 61.337 62.100 -0.125 0.000 1.061 426 T CB 1.116 69.870 68.868 -0.190 0.000 1.007 426 T HN 0.468 nan 8.240 nan 0.000 0.502 427 V N 2.606 122.471 119.914 -0.083 0.000 2.458 427 V HA 0.321 4.441 4.120 0.000 0.000 0.287 427 V C 1.554 177.600 176.094 -0.080 0.000 1.009 427 V CA 0.798 63.049 62.300 -0.081 0.000 1.091 427 V CB -0.290 31.437 31.823 -0.160 0.000 0.960 427 V HN 1.246 nan 8.190 nan 0.000 0.476 428 G N 5.156 113.923 108.800 -0.055 0.000 2.225 428 G HA2 -0.323 3.637 3.960 0.000 0.000 0.267 428 G HA3 -0.323 3.637 3.960 0.000 0.000 0.267 428 G C 0.355 175.229 174.900 -0.042 0.000 1.024 428 G CA 0.236 45.308 45.100 -0.046 0.000 0.784 428 G HN 1.007 nan 8.290 nan 0.000 0.507 429 N N -1.646 117.028 118.700 -0.043 0.000 2.725 429 N HA -0.208 4.532 4.740 0.000 0.000 0.251 429 N C 1.372 176.862 175.510 -0.033 0.000 1.031 429 N CA 1.640 54.673 53.050 -0.028 0.000 0.720 429 N CB -1.573 36.911 38.487 -0.005 0.000 0.930 429 N HN 1.359 nan 8.380 nan 0.000 0.543 430 S N -1.403 114.256 115.700 -0.068 0.000 2.593 430 S HA 0.041 4.511 4.470 0.000 0.000 0.217 430 S C 0.740 175.300 174.600 -0.067 0.000 0.966 430 S CA 0.100 58.260 58.200 -0.068 0.000 0.914 430 S CB 0.248 63.389 63.200 -0.099 0.000 0.776 430 S HN 0.336 nan 8.310 nan 0.000 0.523 431 N N 1.924 120.555 118.700 -0.114 0.000 2.735 431 N HA -0.120 4.620 4.740 0.000 0.000 0.248 431 N C -1.647 173.730 175.510 -0.221 0.000 1.083 431 N CA 0.783 53.762 53.050 -0.118 0.000 0.703 431 N CB -2.088 36.469 38.487 0.117 0.000 1.005 431 N HN 0.520 nan 8.380 nan 0.000 0.550 432 N N 0.783 119.268 118.700 -0.358 0.000 2.457 432 N HA 0.354 5.094 4.740 0.000 0.000 0.250 432 N C -0.320 175.017 175.510 -0.287 0.000 0.982 432 N CA -0.078 52.874 53.050 -0.163 0.000 0.941 432 N CB 0.437 38.920 38.487 -0.007 0.000 1.120 432 N HN 0.190 nan 8.380 nan 0.000 0.505 433 Y N 0.642 121.025 120.300 0.138 0.000 2.650 433 Y HA 0.684 5.234 4.550 0.000 0.000 0.331 433 Y C -0.264 175.713 175.900 0.128 0.000 1.082 433 Y CA -1.272 56.847 58.100 0.031 0.000 1.171 433 Y CB 1.451 39.914 38.460 0.005 0.000 1.326 433 Y HN 0.234 nan 8.280 nan 0.000 0.513 434 L N 1.248 122.590 121.223 0.199 0.000 2.516 434 L HA 0.438 4.778 4.340 0.000 0.000 0.267 434 L C -1.879 175.066 176.870 0.124 0.000 0.957 434 L CA -0.396 54.585 54.840 0.235 0.000 0.860 434 L CB 1.402 43.659 42.059 0.330 0.000 1.265 434 L HN 0.780 nan 8.230 nan 0.000 0.403 435 H N 4.532 123.615 119.070 0.023 0.000 2.495 435 H HA 0.731 5.287 4.556 0.000 0.000 0.348 435 H C -1.526 173.731 175.328 -0.119 0.000 1.113 435 H CA -0.503 55.523 56.048 -0.036 0.000 1.195 435 H CB 1.536 31.291 29.762 -0.011 0.000 1.521 435 H HN 0.658 nan 8.280 nan 0.000 0.509 436 L N 5.077 125.857 121.223 -0.738 0.000 2.337 436 L HA 0.306 4.646 4.340 0.000 0.000 0.269 436 L C -0.335 176.131 176.870 -0.673 0.000 1.018 436 L CA -0.714 53.743 54.840 -0.638 0.000 0.876 436 L CB 1.125 42.871 42.059 -0.523 0.000 1.236 436 L HN 0.662 nan 8.230 nan 0.000 0.436 437 S N 2.285 117.731 115.700 -0.424 0.000 2.475 437 S HA 0.681 5.151 4.470 0.000 0.000 0.281 437 S C -0.346 174.146 174.600 -0.180 0.000 1.198 437 S CA -0.705 57.376 58.200 -0.198 0.000 1.063 437 S CB 1.831 65.062 63.200 0.052 0.000 0.972 437 S HN 0.194 nan 8.310 nan 0.000 0.486 438 V N 3.971 123.786 119.914 -0.165 0.000 2.448 438 V HA 0.301 4.421 4.120 0.000 0.000 0.295 438 V C -0.431 175.599 176.094 -0.107 0.000 1.025 438 V CA -0.938 61.276 62.300 -0.143 0.000 0.859 438 V CB 1.377 33.101 31.823 -0.165 0.000 0.988 438 V HN 0.849 nan 8.190 nan 0.000 0.431 439 L N 5.652 126.825 121.223 -0.084 0.000 2.574 439 L HA 0.179 4.519 4.340 0.000 0.000 0.281 439 L C 1.081 177.906 176.870 -0.075 0.000 1.212 439 L CA 0.455 55.255 54.840 -0.068 0.000 1.082 439 L CB -0.920 41.107 42.059 -0.052 0.000 1.362 439 L HN 0.693 nan 8.230 nan 0.000 0.451 440 R N 1.095 121.542 120.500 -0.089 0.000 2.357 440 R HA 0.406 4.746 4.340 0.000 0.000 0.330 440 R C -0.330 175.924 176.300 -0.076 0.000 1.102 440 R CA -0.017 56.022 56.100 -0.101 0.000 0.974 440 R CB -0.101 30.120 30.300 -0.131 0.000 1.002 440 R HN 0.532 nan 8.270 nan 0.000 0.463 441 T N -0.091 114.423 114.554 -0.066 0.000 2.901 441 T HA 0.264 4.614 4.350 0.000 0.000 0.293 441 T C -0.350 174.322 174.700 -0.047 0.000 1.084 441 T CA -1.220 60.851 62.100 -0.048 0.000 1.008 441 T CB 1.398 70.244 68.868 -0.036 0.000 1.170 441 T HN 0.581 nan 8.240 nan 0.000 0.509 442 E N 1.535 121.715 120.200 -0.033 0.000 2.175 442 E HA 0.074 4.425 4.350 0.000 0.000 0.247 442 E C -0.192 176.387 176.600 -0.034 0.000 1.259 442 E CA -0.032 56.349 56.400 -0.032 0.000 0.969 442 E CB -0.172 29.517 29.700 -0.018 0.000 1.051 442 E HN 0.376 nan 8.360 nan 0.000 0.448 443 L N 3.972 125.174 121.223 -0.035 0.000 2.453 443 L HA 0.129 4.469 4.340 0.000 0.000 0.272 443 L C 0.663 177.509 176.870 -0.040 0.000 1.182 443 L CA 0.529 55.348 54.840 -0.035 0.000 0.858 443 L CB 0.224 42.282 42.059 -0.002 0.000 1.120 443 L HN 0.348 nan 8.230 nan 0.000 0.474 444 R N 3.402 123.869 120.500 -0.055 0.000 2.575 444 R HA 0.367 4.707 4.340 0.000 0.000 0.293 444 R C -2.574 173.686 176.300 -0.066 0.000 0.983 444 R CA -2.123 53.947 56.100 -0.050 0.000 0.887 444 R CB 1.370 31.648 30.300 -0.038 0.000 1.184 444 R HN 0.294 nan 8.270 nan 0.000 0.445 445 P HA -0.050 nan 4.420 nan 0.000 0.255 445 P C 0.581 177.857 177.300 -0.040 0.000 1.173 445 P CA 1.152 64.225 63.100 -0.045 0.000 0.780 445 P CB 0.432 32.129 31.700 -0.005 0.000 0.758 446 G N 2.526 111.290 108.800 -0.061 0.000 2.705 446 G HA2 -0.138 3.822 3.960 0.000 0.000 0.193 446 G HA3 -0.138 3.822 3.960 0.000 0.000 0.193 446 G C 0.142 175.007 174.900 -0.059 0.000 1.015 446 G CA -0.439 44.635 45.100 -0.044 0.000 0.743 446 G HN 0.488 nan 8.290 nan 0.000 0.476 447 E N 0.294 120.446 120.200 -0.080 0.000 2.405 447 E HA 0.535 4.885 4.350 0.000 0.000 0.253 447 E C -0.230 176.305 176.600 -0.107 0.000 1.257 447 E CA 0.299 56.651 56.400 -0.079 0.000 0.960 447 E CB 0.913 30.568 29.700 -0.075 0.000 1.077 447 E HN 0.089 nan 8.360 nan 0.000 0.512 448 T N 0.325 114.826 114.554 -0.089 0.000 2.863 448 T HA 0.447 4.797 4.350 0.000 0.000 0.285 448 T C -1.585 173.064 174.700 -0.086 0.000 1.009 448 T CA -0.775 61.269 62.100 -0.094 0.000 0.989 448 T CB 0.820 69.654 68.868 -0.058 0.000 1.004 448 T HN 0.192 nan 8.240 nan 0.000 0.455 449 L N 4.602 125.767 121.223 -0.095 0.000 2.322 449 L HA 0.615 4.955 4.340 0.000 0.000 0.281 449 L C -0.566 176.278 176.870 -0.043 0.000 1.014 449 L CA -0.448 54.353 54.840 -0.064 0.000 0.815 449 L CB 1.493 43.523 42.059 -0.049 0.000 1.247 449 L HN 0.581 nan 8.230 nan 0.000 0.421 450 N N 4.453 123.131 118.700 -0.038 0.000 2.602 450 N HA 0.187 4.927 4.740 0.000 0.000 0.238 450 N C -0.959 174.524 175.510 -0.044 0.000 1.084 450 N CA -0.175 52.859 53.050 -0.028 0.000 0.952 450 N CB 1.087 39.560 38.487 -0.023 0.000 1.244 450 N HN 0.352 nan 8.380 nan 0.000 0.512 451 V N 2.894 122.784 119.914 -0.041 0.000 2.427 451 V HA 0.106 4.226 4.120 0.000 0.000 0.268 451 V C 0.302 176.319 176.094 -0.127 0.000 1.046 451 V CA -0.611 61.614 62.300 -0.124 0.000 0.970 451 V CB 0.073 31.816 31.823 -0.132 0.000 1.001 451 V HN 0.413 nan 8.190 nan 0.000 0.476 452 N N 4.569 123.139 118.700 -0.218 0.000 2.455 452 N HA 0.463 5.203 4.740 0.000 0.000 0.280 452 N C -0.877 174.433 175.510 -0.333 0.000 1.055 452 N CA -0.178 52.789 53.050 -0.138 0.000 0.961 452 N CB 0.995 39.436 38.487 -0.077 0.000 1.121 452 N HN 0.477 nan 8.380 nan 0.000 0.476 453 F N 1.840 121.701 119.950 -0.148 0.000 2.347 453 F HA 0.313 4.840 4.527 0.000 0.000 0.366 453 F C -0.057 175.658 175.800 -0.141 0.000 1.107 453 F CA -0.953 56.892 58.000 -0.258 0.000 1.058 453 F CB 0.957 39.631 39.000 -0.544 0.000 1.236 453 F HN 0.170 nan 8.300 nan 0.000 0.456 454 L N 5.565 126.820 121.223 0.054 0.000 2.262 454 L HA 0.525 4.865 4.340 0.000 0.000 0.288 454 L C -0.909 176.047 176.870 0.144 0.000 1.035 454 L CA -0.697 54.208 54.840 0.108 0.000 0.820 454 L CB 0.710 42.847 42.059 0.130 0.000 1.204 454 L HN 0.495 nan 8.230 nan 0.000 0.424 455 L N 5.205 126.515 121.223 0.145 0.000 2.399 455 L HA 0.650 4.990 4.340 0.000 0.000 0.266 455 L C -0.518 176.434 176.870 0.136 0.000 1.114 455 L CA -0.065 54.865 54.840 0.150 0.000 0.804 455 L CB 1.035 43.150 42.059 0.093 0.000 1.146 455 L HN 0.733 nan 8.230 nan 0.000 0.451 456 R N 5.147 125.747 120.500 0.168 0.000 2.713 456 R HA 0.665 5.005 4.340 0.000 0.000 0.282 456 R C -1.763 174.644 176.300 0.179 0.000 1.472 456 R CA -0.362 55.850 56.100 0.186 0.000 1.060 456 R CB 0.371 30.832 30.300 0.269 0.000 1.237 456 R HN 0.794 nan 8.270 nan 0.000 0.484 457 M N 0.149 119.819 119.600 0.117 0.000 2.694 457 M HA 0.443 4.923 4.480 0.000 0.000 0.276 457 M C -1.463 174.886 176.300 0.081 0.000 1.167 457 M CA -1.123 54.236 55.300 0.099 0.000 0.849 457 M CB 1.533 34.181 32.600 0.080 0.000 1.705 457 M HN 0.250 nan 8.290 nan 0.000 0.504 458 D N 1.304 121.759 120.400 0.091 0.000 2.400 458 D HA 0.074 4.715 4.640 0.000 0.000 0.238 458 D C 0.941 177.275 176.300 0.057 0.000 1.157 458 D CA -0.135 53.911 54.000 0.078 0.000 0.889 458 D CB 0.636 41.491 40.800 0.093 0.000 1.199 458 D HN 0.845 nan 8.370 nan 0.000 0.436 459 R N 0.931 121.443 120.500 0.021 0.000 2.237 459 R HA -0.033 4.307 4.340 0.000 0.000 0.219 459 R C 1.611 177.877 176.300 -0.057 0.000 1.080 459 R CA 0.945 57.039 56.100 -0.010 0.000 0.995 459 R CB -0.552 29.739 30.300 -0.014 0.000 0.875 459 R HN 0.400 nan 8.270 nan 0.000 0.462 460 A N 1.179 123.946 122.820 -0.088 0.000 2.070 460 A HA -0.139 4.181 4.320 0.000 0.000 0.220 460 A C 1.010 178.261 177.584 -0.556 0.000 1.159 460 A CA 1.195 53.053 52.037 -0.298 0.000 0.656 460 A CB -0.426 18.384 19.000 -0.317 0.000 0.800 460 A HN 0.595 nan 8.150 nan 0.000 0.453 461 H N -2.137 116.919 119.070 -0.024 0.000 3.367 461 H HA 0.062 4.618 4.556 0.000 0.000 0.257 461 H C 1.392 176.684 175.328 -0.059 0.000 1.201 461 H CA 0.701 56.727 56.048 -0.037 0.000 1.102 461 H CB 0.197 29.941 29.762 -0.030 0.000 1.656 461 H HN 0.779 nan 8.280 nan 0.000 0.662 462 E N 1.580 121.792 120.200 0.020 0.000 2.204 462 E HA -0.032 4.318 4.350 0.000 0.000 0.194 462 E C 1.985 178.548 176.600 -0.062 0.000 0.989 462 E CA 1.197 57.577 56.400 -0.034 0.000 0.824 462 E CB -0.066 29.619 29.700 -0.025 0.000 0.756 462 E HN 0.208 nan 8.360 nan 0.000 0.477 463 A N 0.454 123.246 122.820 -0.048 0.000 2.209 463 A HA 0.135 4.456 4.320 0.000 0.000 0.212 463 A C 2.265 179.817 177.584 -0.053 0.000 1.158 463 A CA 1.480 53.487 52.037 -0.050 0.000 0.742 463 A CB -0.773 18.202 19.000 -0.042 0.000 0.790 463 A HN 0.368 nan 8.150 nan 0.000 0.472 464 K N -0.171 120.198 120.400 -0.052 0.000 2.243 464 K HA 0.279 4.599 4.320 0.000 0.000 0.201 464 K C 0.672 177.197 176.600 -0.125 0.000 1.051 464 K CA 0.707 56.961 56.287 -0.054 0.000 0.970 464 K CB -0.403 32.090 32.500 -0.012 0.000 0.755 464 K HN 0.407 nan 8.250 nan 0.000 0.465 465 I N 2.226 122.679 120.570 -0.194 0.000 2.452 465 I HA 0.243 4.413 4.170 0.000 0.000 0.287 465 I C 0.539 176.470 176.117 -0.310 0.000 1.079 465 I CA -0.014 61.074 61.300 -0.353 0.000 1.387 465 I CB 1.334 39.029 38.000 -0.508 0.000 1.404 465 I HN 0.241 nan 8.210 nan 0.000 0.522 466 R N 5.736 126.037 120.500 -0.331 0.000 2.544 466 R HA 0.190 4.530 4.340 0.000 0.000 0.303 466 R C -0.821 175.454 176.300 -0.041 0.000 0.939 466 R CA -0.006 56.023 56.100 -0.118 0.000 1.102 466 R CB 0.508 30.845 30.300 0.062 0.000 1.440 466 R HN 0.706 nan 8.270 nan 0.000 0.532 467 Y N -2.530 117.586 120.300 -0.307 0.000 2.604 467 Y HA 0.593 5.143 4.550 0.000 0.000 0.331 467 Y C -1.556 174.103 175.900 -0.401 0.000 1.158 467 Y CA -1.928 56.014 58.100 -0.263 0.000 1.056 467 Y CB 0.447 38.853 38.460 -0.090 0.000 1.330 467 Y HN -0.197 nan 8.280 nan 0.000 0.457 468 Y N 0.526 120.865 120.300 0.065 0.000 2.409 468 Y HA 0.634 5.184 4.550 0.000 0.000 0.339 468 Y C -0.126 175.852 175.900 0.130 0.000 1.033 468 Y CA -1.078 57.041 58.100 0.032 0.000 1.094 468 Y CB 2.565 40.977 38.460 -0.081 0.000 1.210 468 Y HN 0.681 nan 8.280 nan 0.000 0.456 469 T N 4.078 118.718 114.554 0.143 0.000 2.853 469 T HA 0.288 4.638 4.350 0.000 0.000 0.317 469 T C -1.024 173.823 174.700 0.245 0.000 1.059 469 T CA -0.575 61.567 62.100 0.071 0.000 0.954 469 T CB -0.796 67.980 68.868 -0.153 0.000 0.994 469 T HN 0.448 nan 8.240 nan 0.000 0.479 470 Y N 2.422 122.890 120.300 0.280 0.000 2.387 470 Y HA 0.856 5.406 4.550 0.000 0.000 0.330 470 Y C -1.248 174.833 175.900 0.301 0.000 1.133 470 Y CA -1.796 56.500 58.100 0.327 0.000 1.152 470 Y CB 0.664 39.345 38.460 0.368 0.000 1.215 470 Y HN 0.264 nan 8.280 nan 0.000 0.466 471 L N 4.312 125.785 121.223 0.418 0.000 2.388 471 L HA 0.500 4.840 4.340 0.000 0.000 0.264 471 L C -0.920 176.162 176.870 0.353 0.000 0.998 471 L CA -0.819 54.210 54.840 0.315 0.000 0.817 471 L CB 2.100 44.339 42.059 0.300 0.000 1.338 471 L HN 0.610 nan 8.230 nan 0.000 0.414 472 I N 2.996 123.743 120.570 0.296 0.000 2.378 472 I HA 0.436 4.606 4.170 0.000 0.000 0.291 472 I C -0.416 175.826 176.117 0.209 0.000 0.992 472 I CA -0.471 61.008 61.300 0.297 0.000 1.154 472 I CB 1.692 39.843 38.000 0.250 0.000 1.315 472 I HN 0.462 nan 8.210 nan 0.000 0.448 473 M N 5.944 125.684 119.600 0.232 0.000 2.300 473 M HA 0.370 4.850 4.480 0.000 0.000 0.348 473 M C -0.290 176.118 176.300 0.181 0.000 1.151 473 M CA -0.206 55.196 55.300 0.169 0.000 1.046 473 M CB 1.188 33.872 32.600 0.140 0.000 1.647 473 M HN 0.546 nan 8.290 nan 0.000 0.451 474 N N 2.242 121.015 118.700 0.121 0.000 2.578 474 N HA 0.141 4.881 4.740 0.000 0.000 0.282 474 N C -0.741 174.839 175.510 0.117 0.000 1.119 474 N CA -0.149 52.973 53.050 0.121 0.000 0.948 474 N CB 1.208 39.716 38.487 0.036 0.000 1.546 474 N HN 0.669 nan 8.380 nan 0.000 0.525 475 K N 2.056 122.547 120.400 0.151 0.000 3.193 475 K HA -0.233 4.087 4.320 0.000 0.000 0.294 475 K C 0.631 177.327 176.600 0.161 0.000 1.185 475 K CA 1.108 57.508 56.287 0.188 0.000 0.866 475 K CB -1.339 31.301 32.500 0.233 0.000 1.227 475 K HN 0.998 nan 8.250 nan 0.000 0.467 476 G N 0.468 109.331 108.800 0.104 0.000 2.144 476 G HA2 -0.312 3.649 3.960 0.000 0.000 0.218 476 G HA3 -0.312 3.649 3.960 0.000 0.000 0.218 476 G C -0.156 174.760 174.900 0.026 0.000 0.988 476 G CA 0.344 45.481 45.100 0.061 0.000 0.659 476 G HN 0.577 nan 8.290 nan 0.000 0.522 477 R N -0.734 119.791 120.500 0.041 0.000 2.837 477 R HA 0.787 5.127 4.340 0.000 0.000 0.271 477 R C -0.471 175.851 176.300 0.038 0.000 0.993 477 R CA -1.282 54.828 56.100 0.017 0.000 0.931 477 R CB 1.093 31.393 30.300 0.000 0.000 1.206 477 R HN 0.110 nan 8.270 nan 0.000 0.474 478 L N 3.491 124.735 121.223 0.035 0.000 2.407 478 L HA 0.100 4.440 4.340 0.000 0.000 0.282 478 L C 1.108 177.994 176.870 0.027 0.000 1.110 478 L CA -0.412 54.462 54.840 0.056 0.000 0.863 478 L CB 0.974 43.076 42.059 0.073 0.000 1.207 478 L HN 0.679 nan 8.230 nan 0.000 0.454 479 L N 3.889 125.120 121.223 0.013 0.000 2.044 479 L HA 0.098 4.438 4.340 0.000 0.000 0.205 479 L C 0.708 177.565 176.870 -0.022 0.000 1.075 479 L CA 1.693 56.501 54.840 -0.052 0.000 0.747 479 L CB -0.107 41.843 42.059 -0.181 0.000 0.903 479 L HN 0.595 nan 8.230 nan 0.000 0.435 480 K N -1.385 119.037 120.400 0.037 0.000 2.575 480 K HA 0.632 4.952 4.320 0.000 0.000 0.279 480 K C -2.084 174.578 176.600 0.103 0.000 0.969 480 K CA -0.305 56.026 56.287 0.074 0.000 0.868 480 K CB 1.825 34.388 32.500 0.104 0.000 1.457 480 K HN 0.014 nan 8.250 nan 0.000 0.426 481 A N 1.315 124.151 122.820 0.027 0.000 2.488 481 A HA 0.759 5.079 4.320 0.000 0.000 0.295 481 A C -0.904 176.511 177.584 -0.282 0.000 1.045 481 A CA -0.050 51.914 52.037 -0.120 0.000 0.703 481 A CB 1.720 20.715 19.000 -0.009 0.000 1.271 481 A HN 0.840 nan 8.150 nan 0.000 0.400 482 G N 1.036 109.346 108.800 -0.818 0.000 3.058 482 G HA2 0.734 4.694 3.960 0.000 0.000 0.282 482 G HA3 0.734 4.694 3.960 0.000 0.000 0.282 482 G C -1.402 173.201 174.900 -0.495 0.000 1.248 482 G CA -0.666 44.111 45.100 -0.539 0.000 0.822 482 G HN 0.614 nan 8.290 nan 0.000 0.579 483 R N -0.089 120.391 120.500 -0.032 0.000 2.686 483 R HA 0.514 4.854 4.340 0.000 0.000 0.283 483 R C -1.426 175.047 176.300 0.288 0.000 0.978 483 R CA -0.833 55.349 56.100 0.136 0.000 0.897 483 R CB 1.990 32.312 30.300 0.038 0.000 1.192 483 R HN 0.527 nan 8.270 nan 0.000 0.457 484 Q N 2.212 122.170 119.800 0.264 0.000 2.394 484 Q HA 0.263 4.603 4.340 0.000 0.000 0.259 484 Q C -0.391 175.671 176.000 0.104 0.000 1.021 484 Q CA -0.664 55.200 55.803 0.103 0.000 0.805 484 Q CB 1.264 29.859 28.738 -0.237 0.000 1.226 484 Q HN 0.510 nan 8.270 nan 0.000 0.476 485 V N 2.066 122.028 119.914 0.081 0.000 2.999 485 V HA 0.489 4.609 4.120 0.000 0.000 0.307 485 V C -0.155 175.973 176.094 0.056 0.000 1.084 485 V CA -0.391 61.952 62.300 0.072 0.000 1.155 485 V CB 0.913 32.767 31.823 0.052 0.000 0.975 485 V HN 0.865 nan 8.190 nan 0.000 0.490 486 R N 1.898 122.415 120.500 0.029 0.000 2.515 486 R HA 0.490 4.830 4.340 0.000 0.000 0.278 486 R C -1.283 175.012 176.300 -0.007 0.000 1.107 486 R CA -0.561 55.548 56.100 0.015 0.000 0.945 486 R CB 2.033 32.319 30.300 -0.023 0.000 1.219 486 R HN 0.910 nan 8.270 nan 0.000 0.434 487 E N 3.912 124.116 120.200 0.007 0.000 2.242 487 E HA 0.355 4.705 4.350 0.000 0.000 0.275 487 E C -2.461 174.133 176.600 -0.010 0.000 1.002 487 E CA -2.123 54.277 56.400 -0.001 0.000 0.841 487 E CB 1.228 30.933 29.700 0.008 0.000 1.109 487 E HN 0.345 nan 8.360 nan 0.000 0.394 488 P HA 0.069 nan 4.420 nan 0.000 0.260 488 P C 0.343 177.637 177.300 -0.011 0.000 1.185 488 P CA 1.011 64.098 63.100 -0.023 0.000 0.763 488 P CB 0.445 32.132 31.700 -0.022 0.000 0.776 489 G N 2.241 111.036 108.800 -0.010 0.000 2.184 489 G HA2 -0.192 3.769 3.960 0.000 0.000 0.206 489 G HA3 -0.192 3.769 3.960 0.000 0.000 0.206 489 G C -0.102 174.805 174.900 0.011 0.000 0.995 489 G CA -0.518 44.582 45.100 0.000 0.000 0.651 489 G HN 0.550 nan 8.290 nan 0.000 0.511 490 Q N 0.407 120.217 119.800 0.017 0.000 2.340 490 Q HA 0.466 4.806 4.340 0.000 0.000 0.259 490 Q C -0.157 175.875 176.000 0.053 0.000 0.964 490 Q CA -0.693 55.131 55.803 0.036 0.000 0.900 490 Q CB 1.319 30.082 28.738 0.043 0.000 1.228 490 Q HN 0.147 nan 8.270 nan 0.000 0.449 491 D N 1.259 121.692 120.400 0.055 0.000 2.366 491 D HA 0.064 4.704 4.640 0.000 0.000 0.205 491 D C -0.447 175.905 176.300 0.087 0.000 1.022 491 D CA 0.473 54.515 54.000 0.069 0.000 0.868 491 D CB 0.652 41.483 40.800 0.053 0.000 0.953 491 D HN 0.210 nan 8.370 nan 0.000 0.514 492 L N 1.353 122.623 121.223 0.079 0.000 2.446 492 L HA 0.363 4.703 4.340 0.000 0.000 0.268 492 L C -1.123 175.801 176.870 0.091 0.000 0.975 492 L CA -1.055 53.836 54.840 0.084 0.000 0.848 492 L CB 1.761 43.855 42.059 0.059 0.000 1.225 492 L HN -0.175 nan 8.230 nan 0.000 0.410 493 V N 3.069 123.058 119.914 0.125 0.000 2.656 493 V HA 0.804 4.924 4.120 0.000 0.000 0.307 493 V C -0.592 175.603 176.094 0.169 0.000 1.051 493 V CA -0.772 61.596 62.300 0.113 0.000 0.893 493 V CB 1.706 33.580 31.823 0.086 0.000 0.999 493 V HN 0.400 nan 8.190 nan 0.000 0.426 494 V N 5.085 125.068 119.914 0.115 0.000 2.472 494 V HA 0.508 4.628 4.120 0.000 0.000 0.290 494 V C -0.221 175.941 176.094 0.114 0.000 1.037 494 V CA -0.447 61.925 62.300 0.120 0.000 0.908 494 V CB 1.472 33.330 31.823 0.059 0.000 0.985 494 V HN 0.871 nan 8.190 nan 0.000 0.454 495 L N 8.123 129.437 121.223 0.151 0.000 2.295 495 L HA 0.607 4.947 4.340 0.000 0.000 0.281 495 L C -2.510 174.377 176.870 0.028 0.000 1.018 495 L CA -1.994 52.900 54.840 0.090 0.000 0.841 495 L CB 1.459 43.616 42.059 0.163 0.000 1.218 495 L HN 0.378 nan 8.230 nan 0.000 0.424 496 P HA 0.089 nan 4.420 nan 0.000 0.264 496 P C -0.918 176.378 177.300 -0.007 0.000 1.537 496 P CA -0.069 63.032 63.100 0.003 0.000 1.189 496 P CB 0.035 31.742 31.700 0.012 0.000 1.687 497 L N 3.201 124.406 121.223 -0.029 0.000 2.259 497 L HA 0.287 4.627 4.340 0.000 0.000 0.288 497 L C -0.020 176.787 176.870 -0.106 0.000 1.051 497 L CA 0.008 54.825 54.840 -0.039 0.000 0.824 497 L CB 0.179 42.217 42.059 -0.036 0.000 1.206 497 L HN 0.033 nan 8.230 nan 0.000 0.429 498 S N 6.058 121.716 115.700 -0.069 0.000 2.531 498 S HA 0.427 4.897 4.470 0.000 0.000 0.279 498 S C 0.055 174.490 174.600 -0.274 0.000 1.305 498 S CA -0.412 57.719 58.200 -0.114 0.000 1.058 498 S CB 0.416 63.600 63.200 -0.026 0.000 0.899 498 S HN 0.389 nan 8.310 nan 0.000 0.493 499 I N 4.273 124.592 120.570 -0.418 0.000 2.315 499 I HA 0.242 4.412 4.170 0.000 0.000 0.291 499 I C 1.229 177.198 176.117 -0.245 0.000 1.006 499 I CA -0.232 60.599 61.300 -0.782 0.000 1.265 499 I CB 0.409 37.970 38.000 -0.731 0.000 1.387 499 I HN 0.692 nan 8.210 nan 0.000 0.475 500 T N 1.179 115.800 114.554 0.111 0.000 2.898 500 T HA 0.273 4.623 4.350 0.000 0.000 0.283 500 T C 1.162 175.984 174.700 0.203 0.000 1.059 500 T CA 0.001 62.218 62.100 0.195 0.000 0.958 500 T CB 0.864 69.869 68.868 0.227 0.000 1.594 500 T HN 0.613 nan 8.240 nan 0.000 0.598 501 T N -2.304 112.330 114.554 0.133 0.000 3.169 501 T HA 0.142 4.492 4.350 0.000 0.000 0.250 501 T C 0.508 175.266 174.700 0.098 0.000 1.111 501 T CA 0.097 62.255 62.100 0.098 0.000 1.010 501 T CB -0.407 68.504 68.868 0.073 0.000 0.984 501 T HN 0.469 nan 8.240 nan 0.000 0.537 502 D N 0.735 121.194 120.400 0.097 0.000 2.277 502 D HA 0.174 4.814 4.640 0.000 0.000 0.209 502 D C 1.305 177.575 176.300 -0.051 0.000 0.970 502 D CA 0.235 54.227 54.000 -0.013 0.000 0.874 502 D CB -0.389 40.330 40.800 -0.136 0.000 0.982 502 D HN 0.458 nan 8.370 nan 0.000 0.504 503 F N 1.339 121.244 119.950 -0.075 0.000 2.307 503 F HA -0.026 4.501 4.527 0.000 0.000 0.301 503 F C 1.240 177.050 175.800 0.018 0.000 1.076 503 F CA 0.251 58.200 58.000 -0.085 0.000 1.383 503 F CB -0.408 38.380 39.000 -0.353 0.000 1.055 503 F HN -0.153 nan 8.300 nan 0.000 0.526 504 I N 2.026 122.652 120.570 0.093 0.000 2.683 504 I HA -0.075 4.095 4.170 0.000 0.000 0.286 504 I C -1.428 174.568 176.117 -0.201 0.000 1.175 504 I CA -1.269 59.953 61.300 -0.131 0.000 1.429 504 I CB 0.418 38.245 38.000 -0.288 0.000 1.371 504 I HN -0.121 nan 8.210 nan 0.000 0.569 505 P HA -0.004 nan 4.420 nan 0.000 0.212 505 P C -0.176 177.155 177.300 0.051 0.000 1.171 505 P CA 0.504 63.442 63.100 -0.269 0.000 0.892 505 P CB 0.226 31.770 31.700 -0.260 0.000 0.769 506 S N -0.005 115.810 115.700 0.192 0.000 2.503 506 S HA 0.711 5.181 4.470 0.000 0.000 0.301 506 S C -0.696 174.163 174.600 0.432 0.000 1.087 506 S CA -0.771 57.644 58.200 0.358 0.000 1.042 506 S CB 0.804 64.367 63.200 0.605 0.000 1.043 506 S HN 0.119 nan 8.310 nan 0.000 0.489 507 F N -0.207 119.928 119.950 0.308 0.000 2.565 507 F HA 0.777 5.304 4.527 0.000 0.000 0.313 507 F C -0.376 175.613 175.800 0.315 0.000 1.091 507 F CA -1.209 56.960 58.000 0.282 0.000 0.915 507 F CB 1.391 40.604 39.000 0.356 0.000 1.208 507 F HN 0.572 nan 8.300 nan 0.000 0.453 508 R N 2.596 123.227 120.500 0.218 0.000 2.691 508 R HA 0.704 5.044 4.340 0.000 0.000 0.259 508 R C -1.587 174.835 176.300 0.204 0.000 1.048 508 R CA -1.254 54.914 56.100 0.115 0.000 1.086 508 R CB 1.787 32.151 30.300 0.106 0.000 1.166 508 R HN 0.777 nan 8.270 nan 0.000 0.526 509 L N 2.666 123.966 121.223 0.128 0.000 2.555 509 L HA 0.297 4.637 4.340 0.000 0.000 0.264 509 L C -1.157 175.784 176.870 0.119 0.000 0.972 509 L CA -0.629 54.325 54.840 0.189 0.000 0.876 509 L CB 1.627 43.788 42.059 0.171 0.000 1.216 509 L HN 0.488 nan 8.230 nan 0.000 0.415 510 V N 2.428 122.442 119.914 0.167 0.000 2.472 510 V HA 0.995 5.115 4.120 0.000 0.000 0.290 510 V C -0.013 176.224 176.094 0.238 0.000 1.037 510 V CA -0.255 62.104 62.300 0.097 0.000 0.908 510 V CB 1.291 33.110 31.823 -0.006 0.000 0.985 510 V HN 0.912 nan 8.190 nan 0.000 0.454 511 A N 4.979 127.923 122.820 0.206 0.000 2.422 511 A HA 0.944 5.264 4.320 0.000 0.000 0.302 511 A C -1.087 176.725 177.584 0.380 0.000 1.041 511 A CA -0.631 51.639 52.037 0.389 0.000 0.708 511 A CB 1.571 20.858 19.000 0.479 0.000 1.257 511 A HN 1.997 nan 8.150 nan 0.000 0.414 512 Y N -0.041 120.455 120.300 0.326 0.000 2.597 512 Y HA 0.807 5.357 4.550 0.000 0.000 0.340 512 Y C -1.342 174.731 175.900 0.289 0.000 1.097 512 Y CA -1.570 56.648 58.100 0.197 0.000 1.037 512 Y CB 1.088 39.640 38.460 0.153 0.000 1.305 512 Y HN 0.994 nan 8.280 nan 0.000 0.463 513 Y N -0.671 119.718 120.300 0.148 0.000 2.524 513 Y HA 0.806 5.356 4.550 0.000 0.000 0.347 513 Y C -1.038 174.829 175.900 -0.055 0.000 1.005 513 Y CA -1.262 56.757 58.100 -0.134 0.000 1.025 513 Y CB 1.879 40.199 38.460 -0.233 0.000 1.275 513 Y HN 0.903 nan 8.280 nan 0.000 0.460 514 T N 4.786 119.311 114.554 -0.049 0.000 2.893 514 T HA 0.795 5.145 4.350 0.000 0.000 0.293 514 T C -1.230 173.389 174.700 -0.136 0.000 1.027 514 T CA -0.532 61.500 62.100 -0.113 0.000 0.988 514 T CB 0.726 69.473 68.868 -0.201 0.000 1.043 514 T HN 1.104 nan 8.240 nan 0.000 0.461 515 L N 1.475 122.643 121.223 -0.092 0.000 2.801 515 L HA 0.849 5.189 4.340 0.000 0.000 0.264 515 L C -2.035 174.785 176.870 -0.085 0.000 1.086 515 L CA -1.433 53.357 54.840 -0.083 0.000 0.920 515 L CB 1.507 43.536 42.059 -0.050 0.000 1.529 515 L HN 0.474 nan 8.230 nan 0.000 0.399 516 I N 0.829 121.361 120.570 -0.063 0.000 2.378 516 I HA 0.939 5.109 4.170 0.000 0.000 0.291 516 I C 0.500 176.571 176.117 -0.077 0.000 0.992 516 I CA 0.240 61.499 61.300 -0.067 0.000 1.154 516 I CB 1.332 39.308 38.000 -0.039 0.000 1.315 516 I HN 0.917 nan 8.210 nan 0.000 0.448 517 G N 2.656 111.354 108.800 -0.171 0.000 2.561 517 G HA2 0.658 4.618 3.960 0.000 0.000 0.310 517 G HA3 0.658 4.618 3.960 0.000 0.000 0.310 517 G C -0.055 174.668 174.900 -0.294 0.000 1.292 517 G CA 0.324 45.195 45.100 -0.381 0.000 0.811 517 G HN 1.011 nan 8.290 nan 0.000 0.482 518 A N -0.846 121.751 122.820 -0.371 0.000 1.315 518 A HA -0.135 4.185 4.320 0.000 0.000 0.333 518 A C 1.427 178.984 177.584 -0.044 0.000 1.730 518 A CA 2.871 54.821 52.037 -0.145 0.000 1.091 518 A CB -1.728 17.189 19.000 -0.138 0.000 1.471 518 A HN 2.459 nan 8.150 nan 0.000 0.722 519 S N -1.041 114.629 115.700 -0.049 0.000 2.630 519 S HA 0.515 4.985 4.470 0.000 0.000 0.173 519 S C 0.909 175.494 174.600 -0.024 0.000 1.048 519 S CA 1.233 59.421 58.200 -0.020 0.000 1.172 519 S CB -0.339 62.852 63.200 -0.017 0.000 1.638 519 S HN 2.658 nan 8.310 nan 0.000 0.429 520 G N 2.165 110.950 108.800 -0.024 0.000 2.203 520 G HA2 -0.282 3.678 3.960 0.000 0.000 0.263 520 G HA3 -0.282 3.678 3.960 0.000 0.000 0.263 520 G C -0.138 174.738 174.900 -0.040 0.000 1.012 520 G CA 0.906 45.991 45.100 -0.025 0.000 0.749 520 G HN 0.731 nan 8.290 nan 0.000 0.512 521 Q N -0.694 119.070 119.800 -0.059 0.000 2.271 521 Q HA 0.593 4.933 4.340 0.000 0.000 0.258 521 Q C 0.505 176.450 176.000 -0.091 0.000 0.936 521 Q CA -1.177 54.585 55.803 -0.068 0.000 0.909 521 Q CB 0.828 29.524 28.738 -0.070 0.000 1.253 521 Q HN 0.269 nan 8.270 nan 0.000 0.440 522 R N 2.709 123.155 120.500 -0.089 0.000 2.442 522 R HA 0.102 4.442 4.340 0.000 0.000 0.291 522 R C -1.105 175.097 176.300 -0.164 0.000 1.069 522 R CA 0.428 56.461 56.100 -0.112 0.000 1.022 522 R CB 0.640 30.886 30.300 -0.090 0.000 0.976 522 R HN 0.727 nan 8.270 nan 0.000 0.443 523 E N 2.907 122.990 120.200 -0.194 0.000 2.293 523 E HA 0.470 4.820 4.350 0.000 0.000 0.270 523 E C -1.593 174.812 176.600 -0.324 0.000 0.879 523 E CA -0.980 55.258 56.400 -0.270 0.000 0.756 523 E CB 1.761 31.337 29.700 -0.206 0.000 1.208 523 E HN 0.362 nan 8.360 nan 0.000 0.428 524 V N 3.929 123.528 119.914 -0.526 0.000 2.531 524 V HA 0.423 4.543 4.120 0.000 0.000 0.301 524 V C -0.710 175.128 176.094 -0.427 0.000 1.034 524 V CA -0.762 61.235 62.300 -0.505 0.000 0.865 524 V CB 1.777 33.192 31.823 -0.680 0.000 0.995 524 V HN 0.512 nan 8.190 nan 0.000 0.424 525 V N 3.700 123.361 119.914 -0.422 0.000 2.540 525 V HA 0.945 5.065 4.120 0.000 0.000 0.302 525 V C 0.168 176.095 176.094 -0.279 0.000 1.035 525 V CA -0.259 61.832 62.300 -0.349 0.000 0.873 525 V CB 1.650 33.126 31.823 -0.579 0.000 0.992 525 V HN 1.062 nan 8.190 nan 0.000 0.428 526 A N 3.332 126.119 122.820 -0.055 0.000 2.485 526 A HA 0.958 5.278 4.320 0.000 0.000 0.292 526 A C -1.567 175.951 177.584 -0.110 0.000 1.147 526 A CA -0.503 51.510 52.037 -0.040 0.000 0.750 526 A CB 2.156 21.076 19.000 -0.135 0.000 1.331 526 A HN 0.744 nan 8.150 nan 0.000 0.419 527 D N -0.570 119.774 120.400 -0.094 0.000 2.937 527 D HA 0.511 5.151 4.640 0.000 0.000 0.215 527 D C -0.749 175.494 176.300 -0.095 0.000 1.274 527 D CA 0.262 54.202 54.000 -0.100 0.000 0.869 527 D CB 1.831 42.565 40.800 -0.110 0.000 1.675 527 D HN 0.761 nan 8.370 nan 0.000 0.538 528 S N 1.240 116.895 115.700 -0.075 0.000 2.621 528 S HA 0.882 5.352 4.470 0.000 0.000 0.302 528 S C -0.881 173.698 174.600 -0.036 0.000 1.093 528 S CA -0.755 57.414 58.200 -0.052 0.000 1.017 528 S CB 2.037 65.213 63.200 -0.041 0.000 1.077 528 S HN 0.586 nan 8.310 nan 0.000 0.517 529 V N 1.712 121.610 119.914 -0.027 0.000 2.851 529 V HA 0.681 4.801 4.120 0.000 0.000 0.307 529 V C -2.316 173.792 176.094 0.024 0.000 1.129 529 V CA -0.582 61.698 62.300 -0.034 0.000 0.932 529 V CB 1.937 33.675 31.823 -0.141 0.000 1.024 529 V HN 1.070 nan 8.190 nan 0.000 0.426 530 W N 7.323 128.522 121.300 -0.167 0.000 2.361 530 W HA 0.775 5.435 4.660 0.000 0.000 0.314 530 W C -1.511 174.848 176.519 -0.266 0.000 1.041 530 W CA -0.936 56.286 57.345 -0.204 0.000 1.241 530 W CB 1.413 30.803 29.460 -0.117 0.000 1.279 530 W HN 0.483 nan 8.180 nan 0.000 0.436 531 V N 6.285 125.882 119.914 -0.529 0.000 2.628 531 V HA 0.256 4.376 4.120 0.000 0.000 0.306 531 V C -0.599 175.146 176.094 -0.582 0.000 1.045 531 V CA -0.712 61.189 62.300 -0.666 0.000 0.905 531 V CB 1.760 33.198 31.823 -0.642 0.000 0.997 531 V HN 0.446 nan 8.190 nan 0.000 0.436 532 D N 2.687 122.793 120.400 -0.490 0.000 2.233 532 D HA 0.519 5.159 4.640 0.000 0.000 0.240 532 D C -0.598 175.654 176.300 -0.081 0.000 1.074 532 D CA -0.017 53.828 54.000 -0.259 0.000 0.838 532 D CB 1.828 42.426 40.800 -0.336 0.000 1.124 532 D HN 0.255 nan 8.370 nan 0.000 0.475 533 V N 3.239 123.173 119.914 0.033 0.000 2.713 533 V HA 0.282 4.402 4.120 0.000 0.000 0.307 533 V C 0.299 176.369 176.094 -0.040 0.000 1.052 533 V CA -1.100 61.222 62.300 0.038 0.000 0.967 533 V CB 1.568 33.464 31.823 0.121 0.000 1.019 533 V HN 0.498 nan 8.190 nan 0.000 0.459 534 K N 2.584 122.955 120.400 -0.048 0.000 2.473 534 K HA -0.059 4.261 4.320 0.000 0.000 0.277 534 K C -0.414 176.112 176.600 -0.124 0.000 1.052 534 K CA 0.482 56.730 56.287 -0.065 0.000 1.114 534 K CB -0.372 32.100 32.500 -0.047 0.000 0.869 534 K HN 0.582 nan 8.250 nan 0.000 0.481 535 D N 2.874 123.188 120.400 -0.144 0.000 2.344 535 D HA 0.155 4.795 4.640 0.000 0.000 0.253 535 D C -0.435 175.776 176.300 -0.149 0.000 1.255 535 D CA 0.287 54.124 54.000 -0.272 0.000 0.894 535 D CB 0.370 41.061 40.800 -0.183 0.000 1.067 535 D HN 0.608 nan 8.370 nan 0.000 0.492 536 S N 0.466 116.065 115.700 -0.168 0.000 2.688 536 S HA 0.425 4.895 4.470 0.000 0.000 0.275 536 S C -0.418 174.330 174.600 0.246 0.000 1.175 536 S CA -0.957 57.285 58.200 0.071 0.000 0.818 536 S CB 0.554 63.769 63.200 0.026 0.000 1.157 536 S HN 0.399 nan 8.310 nan 0.000 0.482 537 C N 1.895 121.343 119.300 0.247 0.000 2.642 537 C HA 0.223 4.683 4.460 0.000 0.000 0.420 537 C C 2.421 177.545 174.990 0.223 0.000 1.349 537 C CA -0.348 58.828 59.018 0.265 0.000 1.821 537 C CB -0.358 27.454 27.740 0.119 0.000 2.637 537 C HN 0.671 nan 8.230 nan 0.000 0.605 538 V N 3.639 123.724 119.914 0.285 0.000 2.380 538 V HA -0.099 4.021 4.120 0.000 0.000 0.251 538 V C 1.826 177.988 176.094 0.114 0.000 1.063 538 V CA 2.520 64.940 62.300 0.201 0.000 1.055 538 V CB -1.254 30.698 31.823 0.214 0.000 0.657 538 V HN 1.131 nan 8.190 nan 0.000 0.455 539 G N -0.986 107.870 108.800 0.092 0.000 2.930 539 G HA2 0.518 4.479 3.960 0.000 0.000 0.209 539 G HA3 0.518 4.479 3.960 0.000 0.000 0.209 539 G C -0.176 174.756 174.900 0.053 0.000 2.018 539 G CA 0.659 45.796 45.100 0.063 0.000 0.751 539 G HN 0.813 nan 8.290 nan 0.000 0.770 540 S N -1.510 114.213 115.700 0.039 0.000 2.604 540 S HA 0.514 4.984 4.470 0.000 0.000 0.296 540 S C -1.934 172.677 174.600 0.019 0.000 1.097 540 S CA -0.600 57.619 58.200 0.031 0.000 0.883 540 S CB 1.527 64.745 63.200 0.029 0.000 1.081 540 S HN 1.199 nan 8.310 nan 0.000 0.448 541 L N 2.488 123.718 121.223 0.012 0.000 2.541 541 L HA 0.803 5.143 4.340 0.000 0.000 0.266 541 L C -1.710 175.162 176.870 0.004 0.000 0.966 541 L CA -0.227 54.615 54.840 0.004 0.000 0.871 541 L CB 1.718 43.771 42.059 -0.011 0.000 1.232 541 L HN 0.797 nan 8.230 nan 0.000 0.408 542 V N 5.004 124.923 119.914 0.007 0.000 2.680 542 V HA 0.701 4.822 4.120 0.000 0.000 0.309 542 V C -0.738 175.360 176.094 0.008 0.000 1.052 542 V CA -0.759 61.545 62.300 0.007 0.000 0.908 542 V CB 2.210 34.038 31.823 0.009 0.000 1.001 542 V HN 0.408 nan 8.190 nan 0.000 0.431 543 V N 5.092 125.010 119.914 0.007 0.000 2.419 543 V HA 0.494 4.614 4.120 0.000 0.000 0.287 543 V C -0.116 175.983 176.094 0.010 0.000 1.017 543 V CA -0.687 61.618 62.300 0.009 0.000 0.844 543 V CB 1.312 33.141 31.823 0.010 0.000 1.011 543 V HN 1.038 nan 8.190 nan 0.000 0.429 544 K N 1.828 122.234 120.400 0.011 0.000 2.331 544 K HA 0.782 5.102 4.320 0.000 0.000 0.238 544 K C -0.169 176.438 176.600 0.013 0.000 1.058 544 K CA -0.725 55.569 56.287 0.011 0.000 0.871 544 K CB 1.836 34.342 32.500 0.010 0.000 1.292 544 K HN 0.351 nan 8.250 nan 0.000 0.470 545 S N -0.697 115.011 115.700 0.013 0.000 2.528 545 S HA 0.197 4.667 4.470 0.000 0.000 0.277 545 S C 1.140 175.747 174.600 0.012 0.000 1.297 545 S CA -0.089 58.119 58.200 0.013 0.000 1.052 545 S CB 0.318 63.527 63.200 0.014 0.000 0.917 545 S HN 0.724 nan 8.310 nan 0.000 0.492 546 G N 3.366 112.173 108.800 0.012 0.000 2.418 546 G HA2 -0.091 3.869 3.960 0.000 0.000 0.217 546 G HA3 -0.091 3.869 3.960 0.000 0.000 0.217 546 G C 0.305 175.211 174.900 0.010 0.000 1.158 546 G CA 0.411 45.518 45.100 0.011 0.000 0.771 546 G HN 0.706 nan 8.290 nan 0.000 0.545 547 Q N 1.138 120.944 119.800 0.010 0.000 2.276 547 Q HA 0.286 4.627 4.340 0.000 0.000 0.267 547 Q C 1.052 177.058 176.000 0.009 0.000 1.135 547 Q CA 0.154 55.962 55.803 0.009 0.000 0.910 547 Q CB 0.859 29.602 28.738 0.009 0.000 1.271 547 Q HN 0.358 nan 8.270 nan 0.000 0.417 548 S N 1.714 117.418 115.700 0.008 0.000 2.942 548 S HA 0.134 4.604 4.470 0.000 0.000 0.244 548 S C 0.227 174.831 174.600 0.007 0.000 1.011 548 S CA -0.227 57.978 58.200 0.008 0.000 1.102 548 S CB 0.002 63.206 63.200 0.007 0.000 0.812 548 S HN 0.663 nan 8.310 nan 0.000 0.486 549 E N -0.346 119.858 120.200 0.008 0.000 2.402 549 E HA 0.297 4.647 4.350 0.000 0.000 0.270 549 E C -1.607 174.998 176.600 0.008 0.000 1.131 549 E CA -0.566 55.838 56.400 0.007 0.000 0.884 549 E CB 0.660 30.363 29.700 0.006 0.000 1.564 549 E HN 0.156 nan 8.360 nan 0.000 0.456 550 D N -0.914 119.491 120.400 0.007 0.000 4.808 550 D HA -0.126 4.514 4.640 0.000 0.000 0.304 550 D C -0.323 175.983 176.300 0.009 0.000 2.360 550 D CA 1.144 55.149 54.000 0.007 0.000 1.222 550 D CB -0.311 40.493 40.800 0.007 0.000 1.085 550 D HN 0.460 nan 8.370 nan 0.000 1.266 551 R N -0.463 120.043 120.500 0.010 0.000 3.006 551 R HA 0.541 4.881 4.340 0.000 0.000 0.150 551 R C -0.240 176.069 176.300 0.014 0.000 1.285 551 R CA -0.469 55.638 56.100 0.012 0.000 0.813 551 R CB -0.132 30.174 30.300 0.011 0.000 1.582 551 R HN 0.382 nan 8.270 nan 0.000 0.441 552 Q N 1.274 121.084 119.800 0.016 0.000 2.261 552 Q HA 0.347 4.687 4.340 0.000 0.000 0.252 552 Q C -1.943 174.064 176.000 0.011 0.000 0.915 552 Q CA -1.628 54.185 55.803 0.018 0.000 0.915 552 Q CB 0.504 29.256 28.738 0.024 0.000 1.204 552 Q HN 0.257 nan 8.270 nan 0.000 0.421 553 P HA 0.187 nan 4.420 nan 0.000 0.293 553 P C -1.082 176.219 177.300 0.001 0.000 1.298 553 P CA -0.485 62.619 63.100 0.007 0.000 0.757 553 P CB 0.553 32.260 31.700 0.011 0.000 1.262 554 V N -0.017 119.896 119.914 -0.002 0.000 2.709 554 V HA 0.305 4.425 4.120 0.000 0.000 0.308 554 V C -2.452 173.638 176.094 -0.007 0.000 1.062 554 V CA -1.824 60.470 62.300 -0.010 0.000 0.901 554 V CB 1.573 33.388 31.823 -0.013 0.000 1.003 554 V HN 0.490 nan 8.190 nan 0.000 0.425 555 P HA 0.148 nan 4.420 nan 0.000 0.255 555 P C 0.934 178.231 177.300 -0.005 0.000 1.161 555 P CA 1.837 64.934 63.100 -0.006 0.000 0.768 555 P CB 0.098 31.791 31.700 -0.012 0.000 0.746 556 G N 1.854 110.654 108.800 -0.000 0.000 2.213 556 G HA2 -0.232 3.729 3.960 0.000 0.000 0.226 556 G HA3 -0.232 3.729 3.960 0.000 0.000 0.226 556 G C 0.216 175.116 174.900 0.000 0.000 0.992 556 G CA -0.124 44.976 45.100 -0.001 0.000 0.632 556 G HN 0.667 nan 8.290 nan 0.000 0.511 557 Q N 0.881 120.681 119.800 0.001 0.000 2.340 557 Q HA 0.531 4.871 4.340 0.000 0.000 0.249 557 Q C 0.343 176.345 176.000 0.005 0.000 0.957 557 Q CA -0.237 55.568 55.803 0.002 0.000 0.882 557 Q CB 0.397 29.136 28.738 0.001 0.000 1.235 557 Q HN 0.577 nan 8.270 nan 0.000 0.439 558 Q N 2.387 122.190 119.800 0.004 0.000 2.260 558 Q HA 0.482 4.822 4.340 0.000 0.000 0.238 558 Q C -0.615 175.389 176.000 0.008 0.000 0.948 558 Q CA -0.169 55.638 55.803 0.006 0.000 0.895 558 Q CB 1.354 30.095 28.738 0.005 0.000 1.218 558 Q HN 0.653 nan 8.270 nan 0.000 0.470 559 M N -1.757 117.849 119.600 0.009 0.000 2.322 559 M HA 0.425 4.906 4.480 0.000 0.000 0.285 559 M C -1.229 175.077 176.300 0.011 0.000 1.119 559 M CA -0.813 54.494 55.300 0.010 0.000 0.953 559 M CB 1.977 34.584 32.600 0.013 0.000 1.701 559 M HN 0.257 nan 8.290 nan 0.000 0.479 560 T N 3.353 117.914 114.554 0.010 0.000 2.916 560 T HA 0.449 4.799 4.350 0.000 0.000 0.303 560 T C -0.728 173.979 174.700 0.012 0.000 1.025 560 T CA -0.145 61.962 62.100 0.011 0.000 1.142 560 T CB 0.652 69.525 68.868 0.010 0.000 0.947 560 T HN 0.561 nan 8.240 nan 0.000 0.544 561 L N 3.942 125.173 121.223 0.013 0.000 2.401 561 L HA 0.411 4.751 4.340 0.000 0.000 0.263 561 L C -0.046 176.832 176.870 0.014 0.000 1.004 561 L CA -0.496 54.353 54.840 0.014 0.000 0.881 561 L CB 0.909 42.978 42.059 0.016 0.000 1.219 561 L HN 0.493 nan 8.230 nan 0.000 0.441 562 K N 5.060 125.468 120.400 0.014 0.000 2.350 562 K HA 0.422 4.742 4.320 0.000 0.000 0.279 562 K C -1.027 175.582 176.600 0.014 0.000 1.027 562 K CA -0.111 56.184 56.287 0.014 0.000 0.969 562 K CB 0.509 33.016 32.500 0.013 0.000 0.954 562 K HN 0.674 nan 8.250 nan 0.000 0.474 563 I N 4.455 125.034 120.570 0.015 0.000 2.468 563 I HA 0.143 4.313 4.170 0.000 0.000 0.284 563 I C -0.749 175.378 176.117 0.017 0.000 1.038 563 I CA -0.522 60.787 61.300 0.015 0.000 1.083 563 I CB 1.843 39.852 38.000 0.015 0.000 1.223 563 I HN 0.594 nan 8.210 nan 0.000 0.443 564 E N 5.373 125.583 120.200 0.017 0.000 2.035 564 E HA 0.531 4.881 4.350 0.000 0.000 0.271 564 E C 0.083 176.695 176.600 0.020 0.000 0.953 564 E CA -0.356 56.056 56.400 0.020 0.000 0.777 564 E CB 1.864 31.575 29.700 0.017 0.000 1.104 564 E HN 0.775 nan 8.360 nan 0.000 0.408 565 G N 2.280 111.096 108.800 0.025 0.000 3.105 565 G HA2 0.245 4.205 3.960 0.000 0.000 0.277 565 G HA3 0.245 4.205 3.960 0.000 0.000 0.277 565 G C -0.814 174.109 174.900 0.039 0.000 1.375 565 G CA -0.683 44.432 45.100 0.025 0.000 0.962 565 G HN 0.274 nan 8.290 nan 0.000 0.541 566 D N -0.166 120.257 120.400 0.038 0.000 2.339 566 D HA 0.259 4.899 4.640 0.000 0.000 0.245 566 D C 0.076 176.421 176.300 0.075 0.000 1.115 566 D CA 0.183 54.219 54.000 0.059 0.000 0.917 566 D CB 1.188 42.017 40.800 0.048 0.000 1.192 566 D HN 0.396 nan 8.370 nan 0.000 0.428 567 H N -0.426 118.653 119.070 0.014 0.000 2.848 567 H HA 0.327 4.883 4.556 0.000 0.000 0.341 567 H C 1.381 176.718 175.328 0.015 0.000 1.060 567 H CA 1.211 57.267 56.048 0.014 0.000 1.444 567 H CB 0.457 30.227 29.762 0.013 0.000 1.446 567 H HN 0.577 nan 8.280 nan 0.000 0.583 568 G N 2.309 110.715 108.800 -0.656 0.000 2.179 568 G HA2 -0.250 3.710 3.960 0.000 0.000 0.260 568 G HA3 -0.250 3.710 3.960 0.000 0.000 0.260 568 G C 0.337 175.130 174.900 -0.178 0.000 0.977 568 G CA 0.298 45.124 45.100 -0.457 0.000 0.641 568 G HN 0.993 nan 8.290 nan 0.000 0.533 569 A N -0.016 122.737 122.820 -0.111 0.000 2.327 569 A HA 0.762 5.082 4.320 0.000 0.000 0.283 569 A C 0.584 178.147 177.584 -0.035 0.000 1.127 569 A CA 0.327 52.335 52.037 -0.048 0.000 0.810 569 A CB 0.504 19.492 19.000 -0.020 0.000 1.066 569 A HN 0.810 nan 8.150 nan 0.000 0.492 570 R N 1.993 122.485 120.500 -0.013 0.000 2.312 570 R HA 0.558 4.898 4.340 0.000 0.000 0.311 570 R C -1.633 174.678 176.300 0.018 0.000 1.004 570 R CA -0.278 55.823 56.100 0.002 0.000 0.902 570 R CB 0.932 31.240 30.300 0.013 0.000 1.073 570 R HN 0.441 nan 8.270 nan 0.000 0.457 571 V N 6.020 125.945 119.914 0.019 0.000 2.448 571 V HA 0.287 4.408 4.120 0.000 0.000 0.295 571 V C -0.214 175.905 176.094 0.043 0.000 1.025 571 V CA -0.819 61.497 62.300 0.027 0.000 0.859 571 V CB 1.587 33.419 31.823 0.015 0.000 0.988 571 V HN 0.652 nan 8.190 nan 0.000 0.431 572 V N 4.466 124.423 119.914 0.072 0.000 2.427 572 V HA 0.715 4.835 4.120 0.000 0.000 0.286 572 V C -0.397 175.740 176.094 0.071 0.000 1.034 572 V CA -0.504 61.844 62.300 0.081 0.000 0.893 572 V CB 1.273 33.176 31.823 0.133 0.000 0.982 572 V HN 0.648 nan 8.190 nan 0.000 0.452 573 L N 4.598 125.853 121.223 0.053 0.000 2.304 573 L HA 0.941 5.281 4.340 0.000 0.000 0.268 573 L C -0.461 176.441 176.870 0.053 0.000 1.010 573 L CA -1.104 53.765 54.840 0.049 0.000 0.813 573 L CB 2.118 44.198 42.059 0.035 0.000 1.315 573 L HN 0.664 nan 8.230 nan 0.000 0.445 574 V N 0.514 120.462 119.914 0.057 0.000 2.915 574 V HA 0.707 4.827 4.120 0.000 0.000 0.282 574 V C -1.609 174.526 176.094 0.068 0.000 1.445 574 V CA -0.223 62.114 62.300 0.062 0.000 0.953 574 V CB 1.899 33.769 31.823 0.078 0.000 1.140 574 V HN 0.876 nan 8.190 nan 0.000 0.440 575 A N 5.935 128.791 122.820 0.060 0.000 2.331 575 A HA 0.949 5.269 4.320 0.000 0.000 0.320 575 A C -1.161 176.463 177.584 0.066 0.000 1.138 575 A CA -0.537 51.540 52.037 0.067 0.000 0.790 575 A CB 1.873 20.904 19.000 0.051 0.000 1.206 575 A HN 1.397 nan 8.150 nan 0.000 0.470 576 V N 2.115 122.088 119.914 0.098 0.000 2.709 576 V HA 0.285 4.405 4.120 0.000 0.000 0.308 576 V C -0.614 175.532 176.094 0.086 0.000 1.062 576 V CA -0.824 61.510 62.300 0.057 0.000 0.901 576 V CB 2.034 33.868 31.823 0.018 0.000 1.003 576 V HN 0.982 nan 8.190 nan 0.000 0.425 577 D N 2.908 123.316 120.400 0.013 0.000 2.450 577 D HA 0.079 4.720 4.640 0.000 0.000 0.247 577 D C 1.149 177.483 176.300 0.057 0.000 1.162 577 D CA 0.325 54.349 54.000 0.039 0.000 0.879 577 D CB 1.119 41.925 40.800 0.011 0.000 1.163 577 D HN 0.512 nan 8.370 nan 0.000 0.472 578 K N 2.328 122.829 120.400 0.169 0.000 2.211 578 K HA -0.119 4.201 4.320 0.000 0.000 0.204 578 K C 1.872 178.567 176.600 0.160 0.000 1.047 578 K CA 1.033 57.496 56.287 0.293 0.000 0.935 578 K CB -0.063 32.555 32.500 0.196 0.000 0.728 578 K HN 0.586 nan 8.250 nan 0.000 0.452 579 G N 0.927 109.754 108.800 0.046 0.000 2.462 579 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 579 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 579 G C 1.475 176.308 174.900 -0.112 0.000 1.121 579 G CA 0.674 45.763 45.100 -0.019 0.000 0.758 579 G HN 0.117 nan 8.290 nan 0.000 0.559 580 V N 0.220 120.001 119.914 -0.222 0.000 2.427 580 V HA -0.075 4.045 4.120 0.000 0.000 0.248 580 V C 2.332 178.173 176.094 -0.422 0.000 1.051 580 V CA 1.250 63.297 62.300 -0.421 0.000 1.048 580 V CB -0.621 30.836 31.823 -0.609 0.000 0.666 580 V HN 0.342 nan 8.190 nan 0.000 0.456 581 F N -0.299 119.591 119.950 -0.100 0.000 2.604 581 F HA -0.014 4.513 4.527 0.000 0.000 0.298 581 F C 2.082 177.828 175.800 -0.090 0.000 1.131 581 F CA 0.539 58.489 58.000 -0.082 0.000 1.457 581 F CB -0.890 38.081 39.000 -0.049 0.000 1.095 581 F HN -0.028 nan 8.300 nan 0.000 0.574 582 V N -0.577 119.349 119.914 0.019 0.000 2.667 582 V HA -0.209 3.911 4.120 0.000 0.000 0.252 582 V C 1.973 178.014 176.094 -0.088 0.000 1.065 582 V CA 1.251 63.524 62.300 -0.045 0.000 1.083 582 V CB -0.440 31.321 31.823 -0.103 0.000 0.692 582 V HN 0.225 nan 8.190 nan 0.000 0.468 583 L N -0.378 120.761 121.223 -0.140 0.000 2.354 583 L HA 0.295 4.635 4.340 0.000 0.000 0.212 583 L C 0.713 177.510 176.870 -0.122 0.000 1.091 583 L CA 0.947 55.686 54.840 -0.168 0.000 0.828 583 L CB -0.231 41.644 42.059 -0.306 0.000 0.973 583 L HN 0.406 nan 8.230 nan 0.000 0.461 584 N N -0.320 118.323 118.700 -0.094 0.000 2.648 584 N HA 0.114 4.854 4.740 0.000 0.000 0.272 584 N C -0.313 175.246 175.510 0.081 0.000 1.118 584 N CA -0.155 52.880 53.050 -0.024 0.000 0.973 584 N CB 1.130 39.587 38.487 -0.051 0.000 1.565 584 N HN 0.165 nan 8.380 nan 0.000 0.542 585 K N 1.039 121.513 120.400 0.123 0.000 2.402 585 K HA 0.343 4.663 4.320 0.000 0.000 0.204 585 K C -0.125 176.560 176.600 0.141 0.000 1.056 585 K CA -0.235 56.174 56.287 0.203 0.000 1.069 585 K CB 0.653 33.229 32.500 0.126 0.000 0.888 585 K HN 0.198 nan 8.250 nan 0.000 0.546 586 K N 1.373 121.840 120.400 0.111 0.000 2.090 586 K HA 0.227 4.547 4.320 0.000 0.000 0.250 586 K C -0.416 176.259 176.600 0.124 0.000 1.004 586 K CA -0.408 55.937 56.287 0.097 0.000 0.919 586 K CB 0.430 32.975 32.500 0.074 0.000 1.045 586 K HN 0.186 nan 8.250 nan 0.000 0.471 587 N N 0.204 118.975 118.700 0.118 0.000 2.747 587 N HA -0.204 4.536 4.740 0.000 0.000 0.249 587 N C -0.826 174.780 175.510 0.159 0.000 1.107 587 N CA 0.510 53.644 53.050 0.141 0.000 0.707 587 N CB -0.737 37.846 38.487 0.160 0.000 1.054 587 N HN 0.421 nan 8.380 nan 0.000 0.555 588 K N 0.168 120.653 120.400 0.141 0.000 2.318 588 K HA 0.497 4.817 4.320 0.000 0.000 0.243 588 K C -0.181 176.487 176.600 0.114 0.000 1.047 588 K CA -0.492 55.880 56.287 0.142 0.000 0.937 588 K CB 0.540 33.107 32.500 0.111 0.000 1.225 588 K HN -0.013 nan 8.250 nan 0.000 0.506 589 L N 0.790 122.067 121.223 0.090 0.000 2.342 589 L HA 0.327 4.667 4.340 0.000 0.000 0.276 589 L C -1.256 175.602 176.870 -0.019 0.000 0.997 589 L CA 0.261 55.130 54.840 0.048 0.000 0.838 589 L CB 1.408 43.508 42.059 0.070 0.000 1.224 589 L HN 0.481 nan 8.230 nan 0.000 0.416 590 T N 2.719 117.245 114.554 -0.046 0.000 2.893 590 T HA 0.208 4.558 4.350 0.000 0.000 0.291 590 T C 0.528 175.148 174.700 -0.133 0.000 1.028 590 T CA -0.245 61.814 62.100 -0.067 0.000 0.995 590 T CB 1.992 70.846 68.868 -0.022 0.000 1.051 590 T HN 0.547 nan 8.240 nan 0.000 0.470 591 Q N 1.603 121.321 119.800 -0.136 0.000 2.181 591 Q HA -0.097 4.243 4.340 0.000 0.000 0.205 591 Q C 2.316 178.248 176.000 -0.112 0.000 0.980 591 Q CA 2.014 57.697 55.803 -0.200 0.000 0.862 591 Q CB -0.402 28.294 28.738 -0.071 0.000 0.905 591 Q HN 0.657 nan 8.270 nan 0.000 0.429 592 S N -0.674 115.049 115.700 0.038 0.000 2.383 592 S HA -0.097 4.373 4.470 0.000 0.000 0.227 592 S C 1.567 176.222 174.600 0.091 0.000 1.026 592 S CA 1.149 59.436 58.200 0.144 0.000 0.981 592 S CB -0.078 63.190 63.200 0.113 0.000 0.818 592 S HN 0.433 nan 8.310 nan 0.000 0.472 593 K N 0.395 120.804 120.400 0.014 0.000 2.288 593 K HA 0.090 4.410 4.320 0.000 0.000 0.201 593 K C 1.853 178.452 176.600 -0.001 0.000 1.048 593 K CA 1.044 57.350 56.287 0.031 0.000 0.956 593 K CB -0.165 32.358 32.500 0.039 0.000 0.746 593 K HN 0.457 nan 8.250 nan 0.000 0.461 594 I N -0.656 119.803 120.570 -0.185 0.000 2.233 594 I HA -0.225 3.945 4.170 0.000 0.000 0.243 594 I C 1.842 177.812 176.117 -0.245 0.000 1.093 594 I CA 1.361 62.448 61.300 -0.354 0.000 1.380 594 I CB -0.294 37.173 38.000 -0.888 0.000 1.067 594 I HN 0.270 nan 8.210 nan 0.000 0.413 595 W N 1.128 122.410 121.300 -0.031 0.000 2.374 595 W HA -0.213 4.447 4.660 0.000 0.000 0.288 595 W C 2.218 178.751 176.519 0.024 0.000 1.218 595 W CA 0.588 57.932 57.345 -0.001 0.000 1.245 595 W CB -0.393 29.076 29.460 0.015 0.000 1.126 595 W HN 0.174 nan 8.180 nan 0.000 0.545 596 D N 0.139 120.676 120.400 0.227 0.000 2.178 596 D HA -0.154 4.486 4.640 0.000 0.000 0.201 596 D C 1.947 178.325 176.300 0.129 0.000 0.980 596 D CA 1.218 55.317 54.000 0.165 0.000 0.842 596 D CB -0.073 40.806 40.800 0.132 0.000 0.948 596 D HN -0.023 nan 8.370 nan 0.000 0.472 597 V N -0.336 119.640 119.914 0.103 0.000 2.407 597 V HA -0.140 3.981 4.120 0.000 0.000 0.245 597 V C 2.656 178.767 176.094 0.028 0.000 1.041 597 V CA 0.961 63.307 62.300 0.077 0.000 1.040 597 V CB -0.218 31.655 31.823 0.083 0.000 0.671 597 V HN 0.091 nan 8.190 nan 0.000 0.455 598 V N -0.129 119.770 119.914 -0.025 0.000 2.332 598 V HA -0.230 3.890 4.120 0.000 0.000 0.248 598 V C 2.640 178.823 176.094 0.149 0.000 1.055 598 V CA 2.028 64.332 62.300 0.007 0.000 1.038 598 V CB -0.561 31.337 31.823 0.125 0.000 0.651 598 V HN 0.532 nan 8.190 nan 0.000 0.450 599 E N 0.448 120.744 120.200 0.160 0.000 2.106 599 E HA -0.182 4.168 4.350 0.000 0.000 0.192 599 E C 2.255 178.905 176.600 0.083 0.000 0.984 599 E CA 1.090 57.566 56.400 0.126 0.000 0.806 599 E CB -0.064 29.719 29.700 0.138 0.000 0.750 599 E HN 0.570 nan 8.360 nan 0.000 0.458 600 K N -0.197 120.260 120.400 0.096 0.000 2.211 600 K HA -0.019 4.301 4.320 0.000 0.000 0.203 600 K C 1.575 178.234 176.600 0.099 0.000 1.050 600 K CA 0.890 57.226 56.287 0.082 0.000 0.945 600 K CB 0.065 32.618 32.500 0.089 0.000 0.732 600 K HN -0.022 nan 8.250 nan 0.000 0.451 601 A N 1.505 124.417 122.820 0.154 0.000 2.370 601 A HA -0.001 4.319 4.320 0.000 0.000 0.238 601 A C -0.118 177.561 177.584 0.159 0.000 1.289 601 A CA -0.199 51.959 52.037 0.202 0.000 0.885 601 A CB -0.155 19.078 19.000 0.389 0.000 0.961 601 A HN 0.083 nan 8.150 nan 0.000 0.499 602 D N 0.362 120.817 120.400 0.093 0.000 2.345 602 D HA 0.211 4.851 4.640 0.000 0.000 0.247 602 D C 1.388 177.698 176.300 0.016 0.000 1.108 602 D CA -0.261 53.765 54.000 0.044 0.000 0.894 602 D CB 0.647 41.430 40.800 -0.028 0.000 1.203 602 D HN 0.370 nan 8.370 nan 0.000 0.430 603 I N 0.092 120.669 120.570 0.012 0.000 3.419 603 I HA 0.331 4.501 4.170 0.000 0.000 0.286 603 I C 1.007 177.118 176.117 -0.011 0.000 1.268 603 I CA -0.394 60.910 61.300 0.007 0.000 1.414 603 I CB -0.050 37.960 38.000 0.017 0.000 1.074 603 I HN 0.187 nan 8.210 nan 0.000 0.457 604 G N 0.619 109.391 108.800 -0.047 0.000 2.372 604 G HA2 0.394 4.354 3.960 0.000 0.000 0.283 604 G HA3 0.394 4.354 3.960 0.000 0.000 0.283 604 G C -0.227 174.609 174.900 -0.108 0.000 1.177 604 G CA -0.316 44.738 45.100 -0.078 0.000 0.842 604 G HN 0.465 nan 8.290 nan 0.000 0.503 605 c N 1.419 119.980 118.600 -0.066 0.000 2.969 605 c HA 0.498 5.068 4.570 0.000 0.000 0.260 605 c C 0.477 174.555 174.090 -0.020 0.000 1.618 605 c CA -0.449 55.850 56.329 -0.050 0.000 1.774 605 c CB -1.281 41.225 42.510 -0.007 0.000 3.063 605 c HN 0.694 nan 8.230 nan 0.000 0.506 606 T N 1.191 115.723 114.554 -0.038 0.000 3.105 606 T HA 0.221 4.571 4.350 0.000 0.000 0.321 606 T C -2.314 172.416 174.700 0.051 0.000 1.135 606 T CA -0.294 61.834 62.100 0.046 0.000 1.053 606 T CB 2.200 71.138 68.868 0.116 0.000 1.133 606 T HN -0.210 nan 8.240 nan 0.000 0.463 607 P HA 0.128 nan 4.420 nan 0.000 0.223 607 P C 0.621 178.093 177.300 0.287 0.000 1.144 607 P CA 1.078 64.397 63.100 0.365 0.000 0.783 607 P CB 0.069 31.995 31.700 0.376 0.000 0.771 608 G N -3.192 105.729 108.800 0.202 0.000 2.350 608 G HA2 0.365 4.325 3.960 0.000 0.000 0.304 608 G HA3 0.365 4.325 3.960 0.000 0.000 0.304 608 G C -0.745 174.273 174.900 0.196 0.000 1.421 608 G CA -0.023 45.171 45.100 0.157 0.000 0.934 608 G HN 0.085 nan 8.290 nan 0.000 0.632 609 S N -2.264 113.517 115.700 0.135 0.000 3.769 609 S HA 0.422 4.892 4.470 0.000 0.000 0.656 609 S C 0.667 175.324 174.600 0.096 0.000 1.960 609 S CA 1.607 59.904 58.200 0.161 0.000 2.104 609 S CB -0.872 62.512 63.200 0.307 0.000 0.328 609 S HN 2.916 nan 8.310 nan 0.000 1.640 610 G N 0.253 108.990 108.800 -0.105 0.000 2.550 610 G HA2 0.530 4.490 3.960 0.000 0.000 0.293 610 G HA3 0.530 4.490 3.960 0.000 0.000 0.293 610 G C 0.079 174.303 174.900 -1.128 0.000 1.402 610 G CA 0.248 44.931 45.100 -0.695 0.000 0.784 610 G HN 0.975 nan 8.290 nan 0.000 0.482 611 K N -1.105 118.566 120.400 -1.216 0.000 2.057 611 K HA 0.087 4.407 4.320 0.000 0.000 0.206 611 K C 0.421 176.673 176.600 -0.580 0.000 1.050 611 K CA 1.799 57.664 56.287 -0.702 0.000 0.935 611 K CB -0.148 32.143 32.500 -0.348 0.000 0.715 611 K HN 0.538 nan 8.250 nan 0.000 0.439 612 D N -1.028 119.040 120.400 -0.553 0.000 2.867 612 D HA -0.021 4.619 4.640 0.000 0.000 0.308 612 D C 0.957 177.075 176.300 -0.303 0.000 1.202 612 D CA -0.760 52.844 54.000 -0.659 0.000 1.035 612 D CB -0.180 40.350 40.800 -0.451 0.000 1.427 612 D HN 0.098 nan 8.370 nan 0.000 0.570 613 Y N -1.173 119.023 120.300 -0.173 0.000 2.242 613 Y HA 0.242 4.792 4.550 0.000 0.000 0.291 613 Y C 2.049 177.998 175.900 0.081 0.000 1.137 613 Y CA 1.268 59.393 58.100 0.041 0.000 1.181 613 Y CB -0.772 37.676 38.460 -0.020 0.000 0.989 613 Y HN 0.340 nan 8.280 nan 0.000 0.527 614 A N 0.917 123.218 122.820 -0.865 0.000 2.167 614 A HA 0.172 4.492 4.320 0.000 0.000 0.214 614 A C 2.257 179.721 177.584 -0.200 0.000 1.151 614 A CA 1.018 52.731 52.037 -0.540 0.000 0.735 614 A CB -1.219 17.346 19.000 -0.724 0.000 0.802 614 A HN 0.636 nan 8.150 nan 0.000 0.467 615 G N -1.045 107.630 108.800 -0.208 0.000 2.545 615 G HA2 0.102 4.062 3.960 0.000 0.000 0.212 615 G HA3 0.102 4.062 3.960 0.000 0.000 0.212 615 G C 1.377 176.229 174.900 -0.079 0.000 1.144 615 G CA 0.879 45.887 45.100 -0.154 0.000 0.813 615 G HN 0.208 nan 8.290 nan 0.000 0.531 616 V N 0.732 120.613 119.914 -0.054 0.000 2.287 616 V HA -0.150 3.970 4.120 0.000 0.000 0.248 616 V C 2.484 178.522 176.094 -0.092 0.000 1.053 616 V CA 1.697 63.951 62.300 -0.078 0.000 1.027 616 V CB -0.614 31.139 31.823 -0.116 0.000 0.646 616 V HN 0.336 nan 8.190 nan 0.000 0.447 617 F N 0.543 120.488 119.950 -0.009 0.000 2.075 617 F HA -0.158 4.369 4.527 0.000 0.000 0.297 617 F C 2.731 178.544 175.800 0.021 0.000 1.113 617 F CA 1.911 59.927 58.000 0.027 0.000 1.218 617 F CB -0.827 38.195 39.000 0.037 0.000 0.984 617 F HN 0.024 nan 8.300 nan 0.000 0.472 618 S N -0.489 115.322 115.700 0.186 0.000 2.382 618 S HA -0.181 4.289 4.470 0.000 0.000 0.228 618 S C 1.283 175.921 174.600 0.062 0.000 1.027 618 S CA 1.488 59.747 58.200 0.098 0.000 0.991 618 S CB -0.396 62.831 63.200 0.045 0.000 0.823 618 S HN 0.313 nan 8.310 nan 0.000 0.469 619 D N 0.965 121.390 120.400 0.041 0.000 2.363 619 D HA 0.229 4.869 4.640 0.000 0.000 0.226 619 D C 1.115 177.430 176.300 0.025 0.000 1.020 619 D CA 0.366 54.386 54.000 0.034 0.000 0.892 619 D CB 0.034 40.859 40.800 0.042 0.000 0.900 619 D HN 0.420 nan 8.370 nan 0.000 0.531 620 A N -0.718 122.122 122.820 0.034 0.000 2.508 620 A HA 0.534 4.854 4.320 0.000 0.000 0.250 620 A C 1.328 178.941 177.584 0.048 0.000 1.208 620 A CA 0.355 52.408 52.037 0.026 0.000 0.960 620 A CB 0.345 19.357 19.000 0.020 0.000 1.099 620 A HN 0.097 nan 8.150 nan 0.000 0.542 621 G N -0.145 108.694 108.800 0.064 0.000 2.303 621 G HA2 -0.123 3.837 3.960 0.000 0.000 0.260 621 G HA3 -0.123 3.837 3.960 0.000 0.000 0.260 621 G C -0.386 174.583 174.900 0.114 0.000 1.106 621 G CA 0.379 45.521 45.100 0.070 0.000 0.900 621 G HN 0.598 nan 8.290 nan 0.000 0.495 622 L N -0.696 120.625 121.223 0.162 0.000 2.479 622 L HA 0.874 5.214 4.340 0.000 0.000 0.255 622 L C 0.160 177.148 176.870 0.197 0.000 1.026 622 L CA -0.637 54.335 54.840 0.219 0.000 0.842 622 L CB 2.664 44.945 42.059 0.369 0.000 1.444 622 L HN 0.461 nan 8.230 nan 0.000 0.409 623 T N -1.530 113.107 114.554 0.138 0.000 2.879 623 T HA 0.567 4.917 4.350 0.000 0.000 0.290 623 T C -1.089 173.580 174.700 -0.052 0.000 0.993 623 T CA -0.432 61.698 62.100 0.050 0.000 0.975 623 T CB 1.417 70.304 68.868 0.031 0.000 0.981 623 T HN 0.307 nan 8.240 nan 0.000 0.439 624 F N 2.498 122.247 119.950 -0.334 0.000 2.443 624 F HA 0.686 5.213 4.527 0.000 0.000 0.335 624 F C -0.420 175.239 175.800 -0.235 0.000 1.104 624 F CA -0.077 57.635 58.000 -0.481 0.000 1.013 624 F CB 1.908 40.299 39.000 -1.014 0.000 1.136 624 F HN 0.767 nan 8.300 nan 0.000 0.470 625 T N 3.700 117.901 114.554 -0.589 0.000 3.237 625 T HA 0.430 4.780 4.350 0.000 0.000 0.319 625 T C -1.058 173.426 174.700 -0.360 0.000 1.037 625 T CA -0.889 61.049 62.100 -0.270 0.000 1.048 625 T CB 1.313 70.101 68.868 -0.133 0.000 1.081 625 T HN 0.635 nan 8.240 nan 0.000 0.455 626 S N 0.699 116.323 115.700 -0.126 0.000 2.715 626 S HA 0.652 5.123 4.470 0.000 0.000 0.307 626 S C 1.232 175.844 174.600 0.020 0.000 1.119 626 S CA -0.300 57.864 58.200 -0.061 0.000 0.937 626 S CB 1.634 64.884 63.200 0.082 0.000 1.150 626 S HN 0.681 nan 8.310 nan 0.000 0.521 627 S N 0.049 115.770 115.700 0.035 0.000 2.562 627 S HA 0.049 4.519 4.470 0.000 0.000 0.221 627 S C 1.237 175.866 174.600 0.048 0.000 0.975 627 S CA 0.508 58.751 58.200 0.071 0.000 0.918 627 S CB -0.606 62.681 63.200 0.146 0.000 0.772 627 S HN 0.562 nan 8.310 nan 0.000 0.531 628 S N 0.611 116.332 115.700 0.035 0.000 2.458 628 S HA 0.463 4.933 4.470 0.000 0.000 0.223 628 S C 1.636 176.254 174.600 0.031 0.000 1.019 628 S CA 0.587 58.800 58.200 0.021 0.000 0.937 628 S CB 0.166 63.368 63.200 0.003 0.000 0.788 628 S HN 0.920 nan 8.310 nan 0.000 0.511 629 G N 0.521 109.352 108.800 0.052 0.000 2.545 629 G HA2 -0.150 3.810 3.960 0.000 0.000 0.195 629 G HA3 -0.150 3.810 3.960 0.000 0.000 0.195 629 G C -0.268 174.688 174.900 0.093 0.000 1.009 629 G CA -0.756 44.377 45.100 0.056 0.000 0.703 629 G HN 0.360 nan 8.290 nan 0.000 0.479 630 Q N 2.102 121.979 119.800 0.128 0.000 2.257 630 Q HA 0.472 4.812 4.340 0.000 0.000 0.273 630 Q C 0.568 176.761 176.000 0.322 0.000 1.153 630 Q CA 0.691 56.632 55.803 0.230 0.000 0.922 630 Q CB 0.382 29.199 28.738 0.131 0.000 1.242 630 Q HN 0.838 nan 8.270 nan 0.000 0.409 631 Q N 0.194 120.127 119.800 0.223 0.000 2.552 631 Q HA 0.755 5.096 4.340 0.000 0.000 0.289 631 Q C -0.539 175.477 176.000 0.028 0.000 1.097 631 Q CA -1.075 54.819 55.803 0.150 0.000 0.812 631 Q CB 1.163 29.936 28.738 0.058 0.000 1.460 631 Q HN 0.462 nan 8.270 nan 0.000 0.452 632 T N -2.140 112.408 114.554 -0.009 0.000 2.862 632 T HA 0.709 5.059 4.350 0.000 0.000 0.276 632 T C 0.267 174.924 174.700 -0.072 0.000 0.974 632 T CA -0.479 61.574 62.100 -0.077 0.000 0.966 632 T CB 0.914 69.767 68.868 -0.024 0.000 1.072 632 T HN 0.771 nan 8.240 nan 0.000 0.538 633 A N 1.161 123.933 122.820 -0.081 0.000 2.450 633 A HA 0.291 4.611 4.320 0.000 0.000 0.255 633 A C 0.572 178.132 177.584 -0.040 0.000 1.096 633 A CA -0.545 51.453 52.037 -0.065 0.000 0.778 633 A CB -0.332 18.628 19.000 -0.066 0.000 1.031 633 A HN 0.882 nan 8.150 nan 0.000 0.494 634 Q N 2.085 121.857 119.800 -0.048 0.000 2.247 634 Q HA 0.080 4.420 4.340 0.000 0.000 0.288 634 Q C 0.030 176.016 176.000 -0.024 0.000 1.079 634 Q CA 0.310 56.081 55.803 -0.052 0.000 0.932 634 Q CB 0.286 28.970 28.738 -0.090 0.000 1.133 634 Q HN 0.677 nan 8.270 nan 0.000 0.377 635 R N 3.315 123.822 120.500 0.011 0.000 2.338 635 R HA 0.510 4.850 4.340 0.000 0.000 0.317 635 R C -0.828 175.556 176.300 0.140 0.000 0.968 635 R CA 0.283 56.416 56.100 0.056 0.000 0.849 635 R CB 1.030 31.366 30.300 0.061 0.000 1.128 635 R HN 0.701 nan 8.270 nan 0.000 0.448 636 A N 3.985 126.898 122.820 0.155 0.000 2.605 636 A HA 0.202 4.522 4.320 0.000 0.000 0.292 636 A C -0.626 177.095 177.584 0.229 0.000 1.055 636 A CA -0.320 51.919 52.037 0.336 0.000 0.969 636 A CB 0.533 19.650 19.000 0.195 0.000 1.236 636 A HN 0.645 nan 8.150 nan 0.000 0.534 637 E N -0.127 120.143 120.200 0.117 0.000 2.224 637 E HA 0.626 4.976 4.350 0.000 0.000 0.265 637 E C 0.659 177.276 176.600 0.028 0.000 0.878 637 E CA -0.546 55.891 56.400 0.062 0.000 0.759 637 E CB 1.128 30.857 29.700 0.049 0.000 1.164 637 E HN 0.205 nan 8.360 nan 0.000 0.414 638 L N 1.732 122.955 121.223 0.000 0.000 1.943 638 L HA -0.151 4.189 4.340 0.000 0.000 0.215 638 L C 0.787 177.659 176.870 0.003 0.000 1.074 638 L CA 1.145 55.976 54.840 -0.015 0.000 0.759 638 L CB -0.436 41.606 42.059 -0.029 0.000 0.888 638 L HN 0.549 nan 8.230 nan 0.000 0.433 639 Q N -0.780 119.024 119.800 0.007 0.000 2.474 639 Q HA 0.080 4.420 4.340 0.000 0.000 0.256 639 Q C -0.036 175.974 176.000 0.016 0.000 1.048 639 Q CA -0.058 55.752 55.803 0.012 0.000 0.922 639 Q CB 0.508 29.253 28.738 0.012 0.000 1.288 639 Q HN 0.282 nan 8.270 nan 0.000 0.484 640 c N 2.191 120.800 118.600 0.015 0.000 2.705 640 c HA 0.205 4.775 4.570 0.000 0.000 0.348 640 c C -1.754 172.349 174.090 0.021 0.000 1.386 640 c CA -0.924 55.414 56.329 0.015 0.000 2.361 640 c CB -0.907 41.608 42.510 0.007 0.000 2.486 640 c HN 0.694 nan 8.230 nan 0.000 0.728 641 P HA 0.074 nan 4.420 nan 0.000 0.262 641 P C -0.836 176.481 177.300 0.029 0.000 1.182 641 P CA 0.492 63.609 63.100 0.029 0.000 0.761 641 P CB 0.122 31.843 31.700 0.036 0.000 0.795 642 Q N 4.419 124.236 119.800 0.027 0.000 2.242 642 Q HA 0.016 4.356 4.340 0.000 0.000 0.284 642 Q C -1.651 174.369 176.000 0.033 0.000 1.130 642 Q CA -1.161 54.659 55.803 0.027 0.000 0.940 642 Q CB -0.608 28.145 28.738 0.025 0.000 1.146 642 Q HN 0.333 nan 8.270 nan 0.000 0.388 643 P HA -0.110 nan 4.420 nan 0.000 0.237 643 P C -0.607 176.719 177.300 0.045 0.000 1.149 643 P CA 0.423 63.549 63.100 0.044 0.000 1.254 643 P CB -0.020 31.708 31.700 0.046 0.000 1.382 644 A N 3.648 126.494 122.820 0.043 0.000 3.019 644 A HA 0.529 4.850 4.320 0.000 0.000 0.262 644 A C 1.042 178.654 177.584 0.045 0.000 1.509 644 A CA 0.272 52.333 52.037 0.040 0.000 1.159 644 A CB -1.236 17.785 19.000 0.035 0.000 1.042 644 A HN 0.638 nan 8.150 nan 0.000 0.641 645 A N 0.000 122.853 122.820 0.054 0.000 2.254 645 A HA 0.000 4.320 4.320 0.000 0.000 0.244 645 A CA 0.000 52.075 52.037 0.064 0.000 0.836 645 A CB 0.000 19.034 19.000 0.057 0.000 0.831 645 A HN 0.000 nan 8.150 nan 0.000 0.486