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 2ice_1_D DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA XXXXXXXXXR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVX XXRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.581 174.600 -0.032 0.000 1.055 1 S CA 0.000 58.196 58.200 -0.006 0.000 1.107 1 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 2 P HA 0.415 nan 4.420 nan 0.000 0.292 2 P C -0.518 176.605 177.300 -0.295 0.000 1.326 2 P CA -0.368 62.632 63.100 -0.168 0.000 0.787 2 P CB 0.542 32.168 31.700 -0.122 0.000 0.903 3 M N 3.619 123.026 119.600 -0.322 0.000 2.274 3 M HA 0.342 4.822 4.480 -0.000 0.000 0.344 3 M C -1.121 174.844 176.300 -0.558 0.000 1.161 3 M CA -0.307 54.851 55.300 -0.237 0.000 1.126 3 M CB 0.696 33.283 32.600 -0.022 0.000 1.522 3 M HN 0.292 nan 8.290 nan 0.000 0.461 4 Y N 1.974 122.189 120.300 -0.142 0.000 2.445 4 Y HA 0.313 4.863 4.550 -0.000 0.000 0.332 4 Y C -0.162 175.643 175.900 -0.159 0.000 1.037 4 Y CA -0.830 57.071 58.100 -0.332 0.000 1.296 4 Y CB 1.318 39.336 38.460 -0.736 0.000 1.099 4 Y HN 0.620 nan 8.280 nan 0.000 0.496 5 S N 2.306 118.062 115.700 0.093 0.000 2.608 5 S HA 0.845 5.315 4.470 -0.000 0.000 0.291 5 S C -0.993 173.655 174.600 0.080 0.000 1.146 5 S CA -0.611 57.594 58.200 0.008 0.000 1.043 5 S CB 2.223 65.509 63.200 0.142 0.000 1.037 5 S HN 0.488 nan 8.310 nan 0.000 0.520 6 I N 1.334 121.838 120.570 -0.110 0.000 2.647 6 I HA 0.666 4.836 4.170 -0.000 0.000 0.295 6 I C -1.775 174.290 176.117 -0.087 0.000 1.078 6 I CA -1.004 60.292 61.300 -0.006 0.000 1.048 6 I CB 1.837 39.858 38.000 0.036 0.000 1.239 6 I HN 0.796 nan 8.210 nan 0.000 0.421 7 I N 5.810 126.411 120.570 0.051 0.000 2.533 7 I HA 0.669 4.839 4.170 -0.000 0.000 0.290 7 I C -0.521 175.665 176.117 0.116 0.000 1.056 7 I CA -0.007 61.346 61.300 0.088 0.000 1.057 7 I CB 2.331 40.453 38.000 0.204 0.000 1.240 7 I HN 0.668 nan 8.210 nan 0.000 0.423 8 T N 2.748 117.370 114.554 0.114 0.000 2.787 8 T HA 0.637 4.986 4.350 -0.000 0.000 0.297 8 T C -2.960 171.822 174.700 0.137 0.000 1.221 8 T CA -2.119 60.061 62.100 0.133 0.000 1.006 8 T CB 1.732 70.689 68.868 0.149 0.000 1.328 8 T HN 0.071 nan 8.240 nan 0.000 0.509 9 P HA 0.266 nan 4.420 nan 0.000 0.271 9 P C 0.483 177.849 177.300 0.109 0.000 1.233 9 P CA -0.251 62.924 63.100 0.125 0.000 0.789 9 P CB 0.364 32.128 31.700 0.107 0.000 0.951 10 N N -0.143 118.619 118.700 0.105 0.000 2.043 10 N HA -0.120 4.620 4.740 -0.000 0.000 0.193 10 N C 0.182 175.724 175.510 0.053 0.000 1.037 10 N CA 0.948 54.048 53.050 0.083 0.000 0.851 10 N CB -0.306 38.228 38.487 0.080 0.000 1.027 10 N HN 0.366 nan 8.380 nan 0.000 0.422 11 I N 1.452 122.046 120.570 0.039 0.000 2.378 11 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 11 I C -0.933 175.193 176.117 0.015 0.000 0.992 11 I CA -0.556 60.744 61.300 -0.000 0.000 1.154 11 I CB 1.813 39.796 38.000 -0.028 0.000 1.315 11 I HN -0.034 nan 8.210 nan 0.000 0.448 12 L N 5.872 127.107 121.223 0.020 0.000 2.264 12 L HA 0.519 4.859 4.340 -0.000 0.000 0.289 12 L C 0.233 177.097 176.870 -0.010 0.000 1.044 12 L CA -0.750 54.118 54.840 0.046 0.000 0.807 12 L CB 0.805 42.953 42.059 0.149 0.000 1.192 12 L HN 0.534 nan 8.230 nan 0.000 0.425 13 R N 1.958 122.419 120.500 -0.065 0.000 2.707 13 R HA 0.358 4.698 4.340 -0.000 0.000 0.270 13 R C -0.404 175.843 176.300 -0.089 0.000 1.083 13 R CA -0.284 55.729 56.100 -0.145 0.000 1.182 13 R CB 0.413 30.502 30.300 -0.353 0.000 1.084 13 R HN 0.454 nan 8.270 nan 0.000 0.528 14 L N 2.752 123.911 121.223 -0.106 0.000 2.305 14 L HA 0.114 4.454 4.340 -0.000 0.000 0.281 14 L C 0.398 177.224 176.870 -0.073 0.000 1.085 14 L CA 0.655 55.455 54.840 -0.067 0.000 0.813 14 L CB 0.842 42.860 42.059 -0.068 0.000 1.157 14 L HN 0.843 nan 8.230 nan 0.000 0.436 15 E N 0.614 120.794 120.200 -0.033 0.000 4.071 15 E HA -0.200 4.150 4.350 -0.000 0.000 0.355 15 E C -0.072 176.522 176.600 -0.009 0.000 0.653 15 E CA 1.009 57.393 56.400 -0.026 0.000 1.298 15 E CB -0.684 28.985 29.700 -0.053 0.000 1.712 15 E HN 0.530 nan 8.360 nan 0.000 0.416 16 S N -0.584 115.116 115.700 0.000 0.000 2.600 16 S HA 0.412 4.882 4.470 -0.000 0.000 0.300 16 S C -0.877 173.745 174.600 0.037 0.000 1.087 16 S CA -0.714 57.525 58.200 0.064 0.000 0.965 16 S CB 1.884 65.224 63.200 0.232 0.000 1.089 16 S HN 0.236 nan 8.310 nan 0.000 0.496 17 E N 1.561 121.773 120.200 0.022 0.000 2.316 17 E HA 0.199 4.549 4.350 -0.000 0.000 0.275 17 E C -0.801 175.743 176.600 -0.093 0.000 1.029 17 E CA -0.009 56.346 56.400 -0.076 0.000 0.871 17 E CB 0.445 30.103 29.700 -0.070 0.000 1.022 17 E HN 0.387 nan 8.360 nan 0.000 0.418 18 E N 2.838 122.882 120.200 -0.261 0.000 2.234 18 E HA 0.238 4.588 4.350 -0.000 0.000 0.266 18 E C -0.869 175.544 176.600 -0.313 0.000 0.877 18 E CA -0.681 55.576 56.400 -0.239 0.000 0.758 18 E CB 1.915 31.469 29.700 -0.244 0.000 1.170 18 E HN 0.418 nan 8.360 nan 0.000 0.415 19 T N 1.915 116.383 114.554 -0.144 0.000 2.913 19 T HA 0.387 4.737 4.350 -0.000 0.000 0.297 19 T C 0.208 174.884 174.700 -0.039 0.000 1.029 19 T CA -0.315 61.729 62.100 -0.093 0.000 1.104 19 T CB 0.366 69.212 68.868 -0.037 0.000 0.964 19 T HN 0.301 nan 8.240 nan 0.000 0.532 20 M N 3.625 123.229 119.600 0.007 0.000 2.204 20 M HA 0.491 4.971 4.480 -0.000 0.000 0.293 20 M C -1.616 174.738 176.300 0.089 0.000 0.994 20 M CA -0.645 54.714 55.300 0.097 0.000 0.925 20 M CB 1.337 34.060 32.600 0.205 0.000 1.577 20 M HN 0.347 nan 8.290 nan 0.000 0.439 21 V N 6.606 126.587 119.914 0.111 0.000 2.439 21 V HA 0.511 4.631 4.120 -0.000 0.000 0.282 21 V C -0.510 175.666 176.094 0.137 0.000 1.039 21 V CA -0.574 61.798 62.300 0.119 0.000 0.913 21 V CB 1.216 33.133 31.823 0.156 0.000 0.983 21 V HN 0.806 nan 8.190 nan 0.000 0.460 22 L N 5.492 126.791 121.223 0.126 0.000 2.305 22 L HA 0.682 5.022 4.340 -0.000 0.000 0.284 22 L C -0.096 176.897 176.870 0.205 0.000 1.013 22 L CA -0.236 54.700 54.840 0.161 0.000 0.819 22 L CB 1.339 43.444 42.059 0.076 0.000 1.227 22 L HN 0.611 nan 8.230 nan 0.000 0.417 23 E N 2.629 122.996 120.200 0.278 0.000 2.340 23 E HA 0.813 5.162 4.350 -0.000 0.000 0.273 23 E C -1.240 175.377 176.600 0.028 0.000 0.891 23 E CA -1.063 55.413 56.400 0.126 0.000 0.757 23 E CB 2.988 32.784 29.700 0.159 0.000 1.231 23 E HN 0.607 nan 8.360 nan 0.000 0.439 24 A N 2.836 125.468 122.820 -0.313 0.000 2.497 24 A HA 0.367 4.687 4.320 -0.000 0.000 0.280 24 A C -1.352 175.777 177.584 -0.758 0.000 1.065 24 A CA -0.713 50.987 52.037 -0.560 0.000 0.781 24 A CB 0.616 19.340 19.000 -0.461 0.000 1.289 24 A HN 0.596 nan 8.150 nan 0.000 0.415 25 H N 1.561 120.415 119.070 -0.360 0.000 2.489 25 H HA 0.361 4.917 4.556 -0.000 0.000 0.322 25 H C -0.360 174.832 175.328 -0.228 0.000 1.091 25 H CA 0.388 56.328 56.048 -0.180 0.000 1.291 25 H CB 1.421 31.190 29.762 0.012 0.000 1.436 25 H HN 0.856 nan 8.280 nan 0.000 0.480 26 D N -0.431 119.949 120.400 -0.034 0.000 2.946 26 D HA -0.161 4.479 4.640 -0.000 0.000 0.202 26 D C 0.245 176.497 176.300 -0.079 0.000 1.068 26 D CA 1.183 55.164 54.000 -0.032 0.000 1.011 26 D CB -0.902 39.888 40.800 -0.016 0.000 1.105 26 D HN 0.745 nan 8.370 nan 0.000 0.425 27 A N -0.101 122.603 122.820 -0.193 0.000 2.322 27 A HA 0.572 4.892 4.320 -0.000 0.000 0.269 27 A C 0.402 178.013 177.584 0.045 0.000 1.094 27 A CA -0.137 51.831 52.037 -0.116 0.000 0.807 27 A CB 0.777 19.648 19.000 -0.215 0.000 1.047 27 A HN 0.024 nan 8.150 nan 0.000 0.487 28 Q N -0.033 119.823 119.800 0.093 0.000 2.306 28 Q HA 0.544 4.884 4.340 -0.000 0.000 0.265 28 Q C 0.548 176.624 176.000 0.128 0.000 1.022 28 Q CA 0.486 56.358 55.803 0.114 0.000 0.853 28 Q CB 1.806 30.588 28.738 0.072 0.000 1.327 28 Q HN 1.731 nan 8.270 nan 0.000 0.449 29 G N 2.836 111.698 108.800 0.103 0.000 2.598 29 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 29 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 29 G C -0.962 173.989 174.900 0.085 0.000 1.302 29 G CA -0.342 44.802 45.100 0.073 0.000 0.903 29 G HN 0.586 nan 8.290 nan 0.000 0.575 30 D N -0.646 119.794 120.400 0.067 0.000 2.225 30 D HA 0.567 5.206 4.640 -0.000 0.000 0.249 30 D C -0.039 176.326 176.300 0.109 0.000 1.052 30 D CA 0.507 54.549 54.000 0.070 0.000 0.909 30 D CB 1.962 42.786 40.800 0.040 0.000 1.186 30 D HN 1.020 nan 8.370 nan 0.000 0.431 31 V N 2.799 122.794 119.914 0.134 0.000 2.610 31 V HA 0.367 4.487 4.120 -0.000 0.000 0.288 31 V C -2.800 173.376 176.094 0.137 0.000 1.055 31 V CA -1.765 60.634 62.300 0.165 0.000 0.902 31 V CB 1.912 33.895 31.823 0.266 0.000 1.030 31 V HN 0.365 nan 8.190 nan 0.000 0.448 32 P HA 0.449 nan 4.420 nan 0.000 0.274 32 P C -1.174 176.125 177.300 -0.001 0.000 1.237 32 P CA -0.090 63.029 63.100 0.032 0.000 0.793 32 P CB 1.142 32.853 31.700 0.019 0.000 0.977 33 V N 1.144 121.012 119.914 -0.076 0.000 2.760 33 V HA 0.439 4.559 4.120 -0.000 0.000 0.309 33 V C -0.367 175.643 176.094 -0.139 0.000 1.077 33 V CA -0.440 61.744 62.300 -0.193 0.000 0.910 33 V CB 2.325 33.898 31.823 -0.417 0.000 1.008 33 V HN 0.466 nan 8.190 nan 0.000 0.424 34 T N 3.410 117.884 114.554 -0.132 0.000 2.791 34 T HA 0.568 4.918 4.350 -0.000 0.000 0.288 34 T C -0.414 174.222 174.700 -0.107 0.000 0.999 34 T CA -0.421 61.624 62.100 -0.091 0.000 0.952 34 T CB 1.390 70.226 68.868 -0.053 0.000 0.938 34 T HN 0.394 nan 8.240 nan 0.000 0.444 35 V N 3.979 123.834 119.914 -0.099 0.000 2.427 35 V HA 0.667 4.787 4.120 -0.000 0.000 0.286 35 V C 0.671 176.706 176.094 -0.098 0.000 1.034 35 V CA -0.895 61.341 62.300 -0.107 0.000 0.893 35 V CB 1.263 33.028 31.823 -0.097 0.000 0.982 35 V HN 1.040 nan 8.190 nan 0.000 0.452 36 T N 1.486 115.982 114.554 -0.096 0.000 2.856 36 T HA 0.771 5.121 4.350 -0.000 0.000 0.283 36 T C -0.741 173.891 174.700 -0.113 0.000 1.008 36 T CA -0.718 61.346 62.100 -0.060 0.000 0.997 36 T CB 1.713 70.594 68.868 0.021 0.000 0.992 36 T HN 0.358 nan 8.240 nan 0.000 0.454 37 V N 3.285 123.123 119.914 -0.127 0.000 2.409 37 V HA 0.596 4.715 4.120 -0.000 0.000 0.291 37 V C -0.675 175.364 176.094 -0.092 0.000 1.020 37 V CA -0.643 61.546 62.300 -0.185 0.000 0.848 37 V CB 0.632 32.256 31.823 -0.332 0.000 0.990 37 V HN 1.066 nan 8.190 nan 0.000 0.430 38 H N 1.724 120.755 119.070 -0.064 0.000 2.980 38 H HA 0.491 5.047 4.556 -0.000 0.000 0.367 38 H C -0.762 174.592 175.328 0.044 0.000 1.206 38 H CA -0.658 55.386 56.048 -0.008 0.000 1.126 38 H CB 1.967 31.730 29.762 0.001 0.000 1.838 38 H HN 0.824 nan 8.280 nan 0.000 0.552 39 D N 0.635 121.151 120.400 0.194 0.000 2.478 39 D HA 0.191 4.831 4.640 -0.000 0.000 0.269 39 D C -0.754 175.723 176.300 0.296 0.000 1.232 39 D CA -0.321 53.800 54.000 0.202 0.000 1.059 39 D CB 1.646 42.523 40.800 0.128 0.000 1.104 39 D HN 0.256 nan 8.370 nan 0.000 0.566 40 F N -0.324 119.690 119.950 0.108 0.000 2.596 40 F HA 0.361 4.887 4.527 -0.000 0.000 0.311 40 F C -2.762 173.075 175.800 0.062 0.000 1.116 40 F CA -1.772 56.269 58.000 0.069 0.000 0.957 40 F CB 2.156 41.190 39.000 0.056 0.000 1.250 40 F HN 0.068 nan 8.300 nan 0.000 0.444 41 P HA 0.672 nan 4.420 nan 0.000 0.295 41 P C -0.762 176.351 177.300 -0.312 0.000 1.354 41 P CA -0.203 62.363 63.100 -0.890 0.000 0.814 41 P CB 1.234 32.288 31.700 -1.077 0.000 0.935 42 G N 1.962 110.677 108.800 -0.142 0.000 2.318 42 G HA2 0.242 4.202 3.960 -0.000 0.000 0.302 42 G HA3 0.242 4.202 3.960 -0.000 0.000 0.302 42 G C -1.801 173.133 174.900 0.057 0.000 1.633 42 G CA -1.064 44.008 45.100 -0.047 0.000 0.965 42 G HN 0.299 nan 8.290 nan 0.000 0.698 43 K N 1.420 121.852 120.400 0.053 0.000 2.281 43 K HA 0.614 4.934 4.320 -0.000 0.000 0.272 43 K C 0.582 177.311 176.600 0.215 0.000 1.048 43 K CA -0.699 55.677 56.287 0.149 0.000 0.898 43 K CB 1.954 34.369 32.500 -0.142 0.000 1.128 43 K HN 0.321 nan 8.250 nan 0.000 0.460 44 K N 2.139 122.712 120.400 0.288 0.000 2.521 44 K HA 0.228 4.548 4.320 -0.000 0.000 0.213 44 K C -0.757 175.853 176.600 0.017 0.000 1.223 44 K CA -0.334 56.020 56.287 0.111 0.000 1.013 44 K CB 0.379 32.907 32.500 0.047 0.000 1.017 44 K HN 0.582 nan 8.250 nan 0.000 0.591 45 L N 0.432 121.541 121.223 -0.189 0.000 2.648 45 L HA -0.207 4.133 4.340 -0.000 0.000 0.643 45 L C 0.448 177.155 176.870 -0.271 0.000 1.007 45 L CA -0.059 54.554 54.840 -0.378 0.000 1.346 45 L CB -0.852 41.171 42.059 -0.059 0.000 1.929 45 L HN -0.022 nan 8.230 nan 0.000 0.915 46 V N 1.972 121.679 119.914 -0.344 0.000 2.423 46 V HA 0.292 4.412 4.120 -0.000 0.000 0.233 46 V C 0.828 176.848 176.094 -0.124 0.000 1.067 46 V CA 0.848 63.043 62.300 -0.175 0.000 1.073 46 V CB -0.104 31.636 31.823 -0.138 0.000 0.715 46 V HN 0.578 nan 8.190 nan 0.000 0.485 47 L N 1.134 122.277 121.223 -0.132 0.000 2.551 47 L HA 0.515 4.854 4.340 -0.000 0.000 0.248 47 L C 0.326 177.141 176.870 -0.093 0.000 1.509 47 L CA 0.157 54.950 54.840 -0.078 0.000 0.842 47 L CB 1.133 43.178 42.059 -0.022 0.000 1.087 47 L HN 0.296 nan 8.230 nan 0.000 0.512 48 S N 0.766 116.408 115.700 -0.096 0.000 3.024 48 S HA 0.451 4.921 4.470 -0.000 0.000 0.316 48 S C 0.026 174.611 174.600 -0.025 0.000 1.197 48 S CA 0.120 58.293 58.200 -0.045 0.000 1.097 48 S CB -0.433 62.778 63.200 0.018 0.000 1.471 48 S HN 0.631 nan 8.310 nan 0.000 0.543 49 S N 2.813 118.494 115.700 -0.031 0.000 2.776 49 S HA 0.628 5.097 4.470 -0.000 0.000 0.292 49 S C -1.479 173.118 174.600 -0.006 0.000 1.187 49 S CA -1.006 57.188 58.200 -0.010 0.000 0.834 49 S CB 1.205 64.409 63.200 0.006 0.000 1.199 49 S HN 0.654 nan 8.310 nan 0.000 0.514 50 E N 0.895 121.101 120.200 0.009 0.000 7.598 50 E HA -0.118 4.232 4.350 -0.000 0.000 0.448 50 E C -1.305 175.292 176.600 -0.005 0.000 0.412 50 E CA 0.515 56.925 56.400 0.018 0.000 0.756 50 E CB -0.666 29.068 29.700 0.057 0.000 0.964 50 E HN 0.719 nan 8.360 nan 0.000 0.262 51 K N 0.009 120.405 120.400 -0.007 0.000 2.527 51 K HA 0.818 5.138 4.320 -0.000 0.000 0.260 51 K C -0.649 175.939 176.600 -0.020 0.000 0.937 51 K CA -0.844 55.429 56.287 -0.024 0.000 0.826 51 K CB 2.953 35.441 32.500 -0.021 0.000 1.359 51 K HN 0.425 nan 8.250 nan 0.000 0.434 52 T N 0.206 114.740 114.554 -0.033 0.000 2.762 52 T HA 0.540 4.890 4.350 -0.000 0.000 0.301 52 T C -1.810 172.877 174.700 -0.021 0.000 1.299 52 T CA -0.616 61.470 62.100 -0.023 0.000 1.005 52 T CB 1.829 70.684 68.868 -0.021 0.000 1.377 52 T HN 0.391 nan 8.240 nan 0.000 0.504 53 V N 2.942 122.853 119.914 -0.006 0.000 2.577 53 V HA 0.519 4.639 4.120 -0.000 0.000 0.303 53 V C 0.005 176.110 176.094 0.019 0.000 1.042 53 V CA -0.861 61.445 62.300 0.010 0.000 0.872 53 V CB 1.488 33.318 31.823 0.011 0.000 0.998 53 V HN 0.804 nan 8.190 nan 0.000 0.423 54 L N 2.981 124.234 121.223 0.051 0.000 2.472 54 L HA 0.603 4.943 4.340 -0.000 0.000 0.260 54 L C 0.522 177.392 176.870 0.000 0.000 1.209 54 L CA 0.451 55.324 54.840 0.055 0.000 0.817 54 L CB 1.377 43.537 42.059 0.169 0.000 1.106 54 L HN 0.784 nan 8.230 nan 0.000 0.479 55 T N 0.398 114.904 114.554 -0.079 0.000 2.956 55 T HA 0.398 4.748 4.350 -0.000 0.000 0.312 55 T C -2.394 172.157 174.700 -0.248 0.000 1.151 55 T CA -1.276 60.753 62.100 -0.119 0.000 1.024 55 T CB 1.836 70.662 68.868 -0.069 0.000 1.140 55 T HN 0.245 nan 8.240 nan 0.000 0.473 56 P HA 0.203 nan 4.420 nan 0.000 0.239 56 P C 0.906 178.117 177.300 -0.149 0.000 1.184 56 P CA 0.286 63.242 63.100 -0.240 0.000 0.760 56 P CB 0.003 31.627 31.700 -0.127 0.000 0.884 57 A N 0.384 123.134 122.820 -0.118 0.000 1.822 57 A HA -0.055 4.265 4.320 -0.000 0.000 0.214 57 A C 1.175 178.709 177.584 -0.083 0.000 1.245 57 A CA 1.683 53.673 52.037 -0.078 0.000 0.608 57 A CB -1.817 17.149 19.000 -0.057 0.000 0.896 57 A HN 0.275 nan 8.150 nan 0.000 0.457 58 T N -0.021 114.485 114.554 -0.081 0.000 3.462 58 T HA 0.134 4.484 4.350 -0.000 0.000 0.257 58 T C 0.128 174.757 174.700 -0.118 0.000 1.015 58 T CA -0.418 61.636 62.100 -0.076 0.000 1.135 58 T CB -0.799 68.039 68.868 -0.051 0.000 1.061 58 T HN 0.326 nan 8.240 nan 0.000 0.772 59 N N 4.334 122.953 118.700 -0.135 0.000 2.189 59 N HA -0.174 4.566 4.740 -0.000 0.000 0.284 59 N C 0.031 175.454 175.510 -0.145 0.000 1.362 59 N CA 0.677 53.616 53.050 -0.185 0.000 1.051 59 N CB -0.777 37.639 38.487 -0.119 0.000 1.477 59 N HN 0.668 nan 8.380 nan 0.000 0.484 60 H N 0.637 119.652 119.070 -0.091 0.000 2.740 60 H HA -0.196 4.360 4.556 -0.000 0.000 0.327 60 H C -0.300 174.976 175.328 -0.087 0.000 1.077 60 H CA 0.692 56.689 56.048 -0.084 0.000 1.088 60 H CB -0.884 28.797 29.762 -0.135 0.000 1.619 60 H HN 0.511 nan 8.280 nan 0.000 0.386 61 M N 0.945 120.554 119.600 0.015 0.000 2.255 61 M HA 0.440 4.920 4.480 -0.000 0.000 0.275 61 M C 0.357 176.664 176.300 0.012 0.000 1.050 61 M CA -0.119 55.187 55.300 0.009 0.000 0.978 61 M CB 2.662 35.248 32.600 -0.023 0.000 1.761 61 M HN 0.514 nan 8.290 nan 0.000 0.479 62 G N 2.489 111.306 108.800 0.028 0.000 2.733 62 G HA2 0.506 4.466 3.960 -0.000 0.000 0.297 62 G HA3 0.506 4.466 3.960 -0.000 0.000 0.297 62 G C -0.416 174.497 174.900 0.022 0.000 1.422 62 G CA -0.381 44.731 45.100 0.020 0.000 0.942 62 G HN 0.594 nan 8.290 nan 0.000 0.510 63 N N -0.533 118.174 118.700 0.012 0.000 2.024 63 N HA 0.236 4.976 4.740 -0.000 0.000 0.207 63 N C 0.984 176.506 175.510 0.019 0.000 1.076 63 N CA 1.543 54.600 53.050 0.011 0.000 1.022 63 N CB -0.430 38.056 38.487 -0.001 0.000 1.266 63 N HN 1.601 nan 8.380 nan 0.000 0.508 64 V N -1.727 118.196 119.914 0.015 0.000 3.511 64 V HA -0.141 3.979 4.120 -0.000 0.000 0.502 64 V C -0.365 175.755 176.094 0.044 0.000 0.682 64 V CA 0.512 62.832 62.300 0.034 0.000 2.051 64 V CB -2.061 29.788 31.823 0.042 0.000 2.482 64 V HN 0.897 nan 8.190 nan 0.000 0.508 65 T N 3.114 117.685 114.554 0.029 0.000 2.693 65 T HA 1.083 5.433 4.350 -0.000 0.000 0.278 65 T C -0.490 174.242 174.700 0.052 0.000 0.994 65 T CA -0.292 61.745 62.100 -0.106 0.000 1.033 65 T CB 2.369 71.121 68.868 -0.193 0.000 1.342 65 T HN 2.434 nan 8.240 nan 0.000 0.538 66 F N -2.313 117.640 119.950 0.005 0.000 2.807 66 F HA 0.758 5.285 4.527 -0.000 0.000 0.316 66 F C -1.320 174.481 175.800 0.002 0.000 1.162 66 F CA -1.105 56.895 58.000 0.000 0.000 0.910 66 F CB 1.109 40.106 39.000 -0.004 0.000 1.314 66 F HN 0.734 nan 8.300 nan 0.000 0.454 67 T N 1.937 116.636 114.554 0.240 0.000 2.893 67 T HA 0.745 5.095 4.350 -0.000 0.000 0.293 67 T C -0.980 173.800 174.700 0.133 0.000 1.027 67 T CA -0.540 61.638 62.100 0.131 0.000 0.988 67 T CB 1.983 70.885 68.868 0.058 0.000 1.043 67 T HN 0.649 nan 8.240 nan 0.000 0.461 68 I N 4.094 124.719 120.570 0.093 0.000 2.418 68 I HA 0.402 4.571 4.170 -0.000 0.000 0.287 68 I C -2.112 174.015 176.117 0.018 0.000 1.008 68 I CA -2.223 59.110 61.300 0.054 0.000 1.104 68 I CB 2.311 40.346 38.000 0.059 0.000 1.264 68 I HN 0.418 nan 8.210 nan 0.000 0.438 69 P HA 0.413 nan 4.420 nan 0.000 0.346 69 P C -0.270 177.026 177.300 -0.008 0.000 1.325 69 P CA -0.281 62.818 63.100 -0.003 0.000 0.803 69 P CB 0.463 32.162 31.700 -0.002 0.000 1.856 81 N N 1.816 120.532 118.700 0.026 0.000 4.073 81 N HA -0.092 4.648 4.740 -0.000 0.000 0.298 81 N C -1.364 174.190 175.510 0.073 0.000 2.176 81 N CA 0.936 54.003 53.050 0.028 0.000 2.735 81 N CB 0.025 38.562 38.487 0.084 0.000 0.403 81 N HN 0.197 nan 8.380 nan 0.000 0.602 82 K N 1.063 121.461 120.400 -0.003 0.000 2.245 82 K HA 0.757 5.077 4.320 -0.000 0.000 0.234 82 K C -0.475 176.120 176.600 -0.008 0.000 1.021 82 K CA -0.401 55.924 56.287 0.064 0.000 0.898 82 K CB 1.231 33.745 32.500 0.023 0.000 1.163 82 K HN 0.304 nan 8.250 nan 0.000 0.459 83 F N -0.258 119.753 119.950 0.101 0.000 2.662 83 F HA 0.346 4.873 4.527 -0.000 0.000 0.312 83 F C -1.100 174.766 175.800 0.111 0.000 1.113 83 F CA -0.884 57.183 58.000 0.110 0.000 0.951 83 F CB 2.098 41.211 39.000 0.189 0.000 1.344 83 F HN 0.172 nan 8.300 nan 0.000 0.462 84 V N -0.698 119.396 119.914 0.299 0.000 2.524 84 V HA 0.534 4.654 4.120 -0.000 0.000 0.297 84 V C -0.627 175.556 176.094 0.149 0.000 1.035 84 V CA -0.840 61.575 62.300 0.193 0.000 0.867 84 V CB 0.774 32.651 31.823 0.089 0.000 1.004 84 V HN 0.757 nan 8.190 nan 0.000 0.426 85 T N 2.249 116.895 114.554 0.153 0.000 2.738 85 T HA 0.509 4.859 4.350 -0.000 0.000 0.294 85 T C 0.075 174.802 174.700 0.045 0.000 0.914 85 T CA -0.365 61.772 62.100 0.063 0.000 1.052 85 T CB 0.668 69.605 68.868 0.114 0.000 0.897 85 T HN 0.669 nan 8.240 nan 0.000 0.522 86 V N 4.377 124.287 119.914 -0.006 0.000 2.408 86 V HA 0.245 4.365 4.120 -0.000 0.000 0.267 86 V C 0.373 176.444 176.094 -0.039 0.000 1.047 86 V CA -0.475 61.797 62.300 -0.047 0.000 0.937 86 V CB 0.882 32.658 31.823 -0.079 0.000 0.999 86 V HN 0.871 nan 8.190 nan 0.000 0.472 87 Q N 3.626 123.405 119.800 -0.035 0.000 2.372 87 Q HA 0.646 4.986 4.340 -0.000 0.000 0.259 87 Q C -0.247 175.730 176.000 -0.038 0.000 0.993 87 Q CA -0.549 55.236 55.803 -0.030 0.000 0.854 87 Q CB 1.437 30.158 28.738 -0.028 0.000 1.231 87 Q HN 0.877 nan 8.270 nan 0.000 0.462 88 A N 3.770 126.579 122.820 -0.020 0.000 2.582 88 A HA 0.350 4.670 4.320 -0.000 0.000 0.336 88 A C -0.425 177.176 177.584 0.029 0.000 1.445 88 A CA -0.452 51.567 52.037 -0.029 0.000 0.997 88 A CB 0.366 19.357 19.000 -0.014 0.000 1.148 88 A HN 0.647 nan 8.150 nan 0.000 0.514 89 T N 2.887 117.435 114.554 -0.011 0.000 2.747 89 T HA 0.243 4.593 4.350 -0.000 0.000 0.301 89 T C 0.690 175.399 174.700 0.014 0.000 0.952 89 T CA 0.086 62.204 62.100 0.031 0.000 0.983 89 T CB -0.244 68.622 68.868 -0.004 0.000 0.930 89 T HN 0.456 nan 8.240 nan 0.000 0.494 90 F N 1.964 121.851 119.950 -0.104 0.000 2.269 90 F HA 0.068 4.595 4.527 -0.000 0.000 0.301 90 F C 2.209 177.949 175.800 -0.100 0.000 1.082 90 F CA 1.291 59.226 58.000 -0.108 0.000 1.360 90 F CB 0.101 38.972 39.000 -0.214 0.000 1.041 90 F HN 0.847 nan 8.300 nan 0.000 0.512 91 G N -1.298 107.540 108.800 0.063 0.000 3.131 91 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.198 91 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.198 91 G C 1.098 175.987 174.900 -0.019 0.000 1.435 91 G CA 0.257 45.364 45.100 0.012 0.000 1.016 91 G HN 0.184 nan 8.290 nan 0.000 0.499 92 T N -0.036 114.485 114.554 -0.054 0.000 3.043 92 T HA 0.371 4.721 4.350 -0.000 0.000 0.263 92 T C 0.871 175.494 174.700 -0.127 0.000 1.094 92 T CA 2.266 64.312 62.100 -0.090 0.000 1.127 92 T CB 0.018 68.823 68.868 -0.106 0.000 0.905 92 T HN 0.482 nan 8.240 nan 0.000 0.490 93 Q N 0.017 119.712 119.800 -0.175 0.000 2.451 93 Q HA 0.641 4.981 4.340 -0.000 0.000 0.281 93 Q C -1.877 174.079 176.000 -0.074 0.000 1.099 93 Q CA -0.723 54.978 55.803 -0.170 0.000 0.806 93 Q CB 2.594 31.128 28.738 -0.339 0.000 1.419 93 Q HN 0.093 nan 8.270 nan 0.000 0.427 94 V N 2.929 122.814 119.914 -0.048 0.000 2.487 94 V HA 0.789 4.909 4.120 -0.000 0.000 0.298 94 V C -1.579 174.511 176.094 -0.006 0.000 1.028 94 V CA -0.393 61.899 62.300 -0.012 0.000 0.860 94 V CB 1.666 33.477 31.823 -0.020 0.000 0.991 94 V HN 0.614 nan 8.190 nan 0.000 0.427 95 V N 7.051 126.978 119.914 0.022 0.000 2.577 95 V HA 0.593 4.713 4.120 -0.000 0.000 0.303 95 V C -0.524 175.567 176.094 -0.006 0.000 1.042 95 V CA -0.589 61.716 62.300 0.008 0.000 0.872 95 V CB 1.918 33.764 31.823 0.039 0.000 0.998 95 V HN 1.012 nan 8.190 nan 0.000 0.423 96 E N 3.158 123.339 120.200 -0.032 0.000 2.248 96 E HA 0.833 5.183 4.350 -0.000 0.000 0.267 96 E C -1.195 175.367 176.600 -0.063 0.000 0.877 96 E CA -1.240 55.135 56.400 -0.041 0.000 0.759 96 E CB 2.915 32.594 29.700 -0.036 0.000 1.182 96 E HN 0.349 nan 8.360 nan 0.000 0.418 97 K N 2.057 122.419 120.400 -0.063 0.000 2.443 97 K HA 0.308 4.628 4.320 -0.000 0.000 0.252 97 K C -1.616 174.934 176.600 -0.083 0.000 0.933 97 K CA -0.942 55.301 56.287 -0.074 0.000 0.792 97 K CB 2.123 34.592 32.500 -0.053 0.000 1.185 97 K HN 0.486 nan 8.250 nan 0.000 0.425 98 V N 4.909 124.733 119.914 -0.150 0.000 2.372 98 V HA 0.320 4.440 4.120 -0.000 0.000 0.261 98 V C -0.277 175.837 176.094 0.033 0.000 1.055 98 V CA -0.858 61.310 62.300 -0.219 0.000 0.930 98 V CB 0.632 32.068 31.823 -0.646 0.000 1.031 98 V HN 0.456 nan 8.190 nan 0.000 0.479 99 V N 5.793 125.795 119.914 0.146 0.000 2.483 99 V HA 0.457 4.577 4.120 -0.000 0.000 0.295 99 V C -0.006 176.166 176.094 0.129 0.000 1.035 99 V CA -0.799 61.594 62.300 0.155 0.000 0.896 99 V CB 1.658 33.532 31.823 0.085 0.000 0.986 99 V HN 0.687 nan 8.190 nan 0.000 0.447 100 L N 5.506 126.667 121.223 -0.105 0.000 2.452 100 L HA 0.537 4.877 4.340 -0.000 0.000 0.267 100 L C -0.207 176.482 176.870 -0.303 0.000 1.188 100 L CA 0.652 55.130 54.840 -0.604 0.000 0.821 100 L CB 1.240 42.985 42.059 -0.523 0.000 1.102 100 L HN 0.524 nan 8.230 nan 0.000 0.470 101 V N 2.650 122.364 119.914 -0.334 0.000 2.680 101 V HA 0.665 4.785 4.120 -0.000 0.000 0.309 101 V C -0.360 175.641 176.094 -0.155 0.000 1.052 101 V CA -0.482 61.718 62.300 -0.166 0.000 0.908 101 V CB 1.674 33.436 31.823 -0.102 0.000 1.001 101 V HN 0.898 nan 8.190 nan 0.000 0.431 102 S N 3.908 119.539 115.700 -0.114 0.000 2.482 102 S HA 0.587 5.057 4.470 -0.000 0.000 0.303 102 S C 0.660 175.206 174.600 -0.092 0.000 1.091 102 S CA -0.792 57.347 58.200 -0.102 0.000 1.057 102 S CB 1.633 64.775 63.200 -0.098 0.000 1.031 102 S HN 0.444 nan 8.310 nan 0.000 0.485 103 L N 0.978 122.157 121.223 -0.074 0.000 1.994 103 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 103 L C 1.146 177.970 176.870 -0.077 0.000 1.071 103 L CA 1.424 56.228 54.840 -0.061 0.000 0.745 103 L CB -1.662 40.374 42.059 -0.038 0.000 0.892 103 L HN 0.822 nan 8.230 nan 0.000 0.431 104 Q N 0.663 120.422 119.800 -0.069 0.000 4.078 104 Q HA -0.173 4.167 4.340 -0.000 0.000 0.380 104 Q C 1.261 177.168 176.000 -0.155 0.000 1.164 104 Q CA 0.447 56.205 55.803 -0.075 0.000 1.246 104 Q CB -0.258 28.426 28.738 -0.091 0.000 1.084 104 Q HN 0.260 nan 8.270 nan 0.000 0.492 105 S N 0.692 116.289 115.700 -0.171 0.000 2.561 105 S HA 0.270 4.740 4.470 -0.000 0.000 0.225 105 S C 0.981 175.367 174.600 -0.357 0.000 0.977 105 S CA 0.193 58.183 58.200 -0.350 0.000 0.926 105 S CB 0.353 63.160 63.200 -0.654 0.000 0.769 105 S HN 0.900 nan 8.310 nan 0.000 0.533 106 G N 0.028 108.671 108.800 -0.262 0.000 2.384 106 G HA2 0.233 4.193 3.960 -0.000 0.000 0.113 106 G HA3 0.233 4.193 3.960 -0.000 0.000 0.113 106 G C -1.835 172.804 174.900 -0.434 0.000 1.224 106 G CA -0.918 44.002 45.100 -0.299 0.000 1.126 106 G HN 0.217 nan 8.290 nan 0.000 0.461 107 Y N -0.592 119.782 120.300 0.124 0.000 2.605 107 Y HA 0.844 5.394 4.550 -0.000 0.000 0.343 107 Y C 0.095 175.534 175.900 -0.768 0.000 1.036 107 Y CA -1.003 56.875 58.100 -0.371 0.000 1.065 107 Y CB 2.127 40.380 38.460 -0.346 0.000 1.288 107 Y HN 0.495 nan 8.280 nan 0.000 0.481 108 L N 1.840 122.071 121.223 -1.654 0.000 2.401 108 L HA 0.606 4.946 4.340 -0.000 0.000 0.266 108 L C -1.696 174.528 176.870 -1.076 0.000 0.991 108 L CA -0.607 53.551 54.840 -1.136 0.000 0.818 108 L CB 2.031 43.455 42.059 -1.058 0.000 1.321 108 L HN 0.475 nan 8.230 nan 0.000 0.413 109 F N 2.883 122.792 119.950 -0.068 0.000 2.539 109 F HA 0.571 5.098 4.527 -0.000 0.000 0.318 109 F C -0.159 175.761 175.800 0.201 0.000 1.135 109 F CA -0.480 57.580 58.000 0.101 0.000 0.915 109 F CB 1.705 40.782 39.000 0.129 0.000 1.176 109 F HN 0.129 nan 8.300 nan 0.000 0.440 110 I N 2.973 123.737 120.570 0.323 0.000 2.377 110 I HA 0.380 4.550 4.170 -0.000 0.000 0.293 110 I C -0.557 175.737 176.117 0.296 0.000 0.987 110 I CA -0.572 60.880 61.300 0.253 0.000 1.185 110 I CB 1.732 39.848 38.000 0.194 0.000 1.341 110 I HN 0.548 nan 8.210 nan 0.000 0.455 111 Q N 5.464 125.430 119.800 0.276 0.000 2.325 111 Q HA 0.423 4.762 4.340 -0.000 0.000 0.270 111 Q C -1.162 174.983 176.000 0.242 0.000 1.020 111 Q CA -0.673 55.297 55.803 0.279 0.000 0.785 111 Q CB 1.979 30.939 28.738 0.371 0.000 1.259 111 Q HN 0.794 nan 8.270 nan 0.000 0.452 112 T N 0.001 114.695 114.554 0.234 0.000 2.829 112 T HA 0.153 4.503 4.350 -0.000 0.000 0.282 112 T C 1.023 175.862 174.700 0.231 0.000 0.990 112 T CA -0.556 61.685 62.100 0.236 0.000 1.028 112 T CB 1.141 70.147 68.868 0.231 0.000 0.951 112 T HN 0.692 nan 8.240 nan 0.000 0.460 113 D N 2.147 122.684 120.400 0.228 0.000 2.178 113 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 113 D C 0.379 176.743 176.300 0.108 0.000 0.980 113 D CA 1.030 55.129 54.000 0.165 0.000 0.842 113 D CB 0.264 41.147 40.800 0.138 0.000 0.948 113 D HN 0.540 nan 8.370 nan 0.000 0.472 114 K N -0.816 119.629 120.400 0.075 0.000 2.352 114 K HA 0.316 4.636 4.320 -0.000 0.000 0.240 114 K C 0.720 177.315 176.600 -0.008 0.000 1.017 114 K CA -0.319 55.852 56.287 -0.192 0.000 0.851 114 K CB 1.839 33.854 32.500 -0.808 0.000 1.261 114 K HN -0.042 nan 8.250 nan 0.000 0.451 115 T N -2.185 112.368 114.554 -0.002 0.000 3.022 115 T HA 0.291 4.641 4.350 -0.000 0.000 0.250 115 T C 0.720 175.522 174.700 0.170 0.000 1.060 115 T CA -0.023 62.171 62.100 0.157 0.000 1.013 115 T CB 0.024 68.998 68.868 0.177 0.000 0.982 115 T HN 0.522 nan 8.240 nan 0.000 0.508 116 I N 0.200 120.749 120.570 -0.034 0.000 2.710 116 I HA 0.546 4.716 4.170 -0.000 0.000 0.290 116 I C -2.039 174.072 176.117 -0.010 0.000 1.318 116 I CA -1.291 60.064 61.300 0.091 0.000 1.045 116 I CB 1.882 39.842 38.000 -0.068 0.000 1.307 116 I HN 0.051 nan 8.210 nan 0.000 0.424 117 Y N 3.305 123.792 120.300 0.312 0.000 2.634 117 Y HA 0.664 5.213 4.550 -0.000 0.000 0.340 117 Y C 0.149 176.155 175.900 0.178 0.000 1.058 117 Y CA -0.697 57.541 58.100 0.229 0.000 1.081 117 Y CB 2.302 40.796 38.460 0.057 0.000 1.295 117 Y HN 0.522 nan 8.280 nan 0.000 0.487 118 T N -1.122 113.499 114.554 0.111 0.000 2.918 118 T HA 0.551 4.901 4.350 -0.000 0.000 0.286 118 T C -3.033 171.622 174.700 -0.076 0.000 1.026 118 T CA -2.866 59.175 62.100 -0.099 0.000 1.031 118 T CB 1.683 70.330 68.868 -0.368 0.000 1.046 118 T HN 0.129 nan 8.240 nan 0.000 0.479 119 P HA 0.277 nan 4.420 nan 0.000 0.264 119 P C 1.185 178.407 177.300 -0.129 0.000 1.183 119 P CA 1.339 64.374 63.100 -0.108 0.000 0.763 119 P CB 0.211 31.873 31.700 -0.063 0.000 0.807 120 G N 1.660 110.358 108.800 -0.171 0.000 2.279 120 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.223 120 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.223 120 G C 0.325 175.126 174.900 -0.165 0.000 1.015 120 G CA 0.211 45.217 45.100 -0.157 0.000 0.621 120 G HN 0.789 nan 8.290 nan 0.000 0.506 121 S N 0.552 116.163 115.700 -0.149 0.000 2.601 121 S HA 0.651 5.120 4.470 -0.000 0.000 0.271 121 S C 0.148 174.636 174.600 -0.186 0.000 1.305 121 S CA 0.523 58.661 58.200 -0.103 0.000 1.022 121 S CB 1.764 64.969 63.200 0.009 0.000 0.940 121 S HN 0.596 nan 8.310 nan 0.000 0.525 122 T N 1.968 116.441 114.554 -0.136 0.000 2.856 122 T HA 0.370 4.720 4.350 -0.000 0.000 0.292 122 T C -0.119 174.470 174.700 -0.185 0.000 0.980 122 T CA -0.551 61.431 62.100 -0.197 0.000 1.091 122 T CB 0.922 69.720 68.868 -0.116 0.000 0.936 122 T HN 0.530 nan 8.240 nan 0.000 0.503 123 V N 4.958 124.643 119.914 -0.382 0.000 2.432 123 V HA 0.289 4.409 4.120 -0.000 0.000 0.271 123 V C 0.020 176.097 176.094 -0.028 0.000 1.046 123 V CA -0.459 61.542 62.300 -0.499 0.000 0.945 123 V CB 0.514 31.827 31.823 -0.849 0.000 0.992 123 V HN 0.644 nan 8.190 nan 0.000 0.471 124 L N 7.604 128.877 121.223 0.082 0.000 2.282 124 L HA 0.643 4.982 4.340 -0.000 0.000 0.288 124 L C -0.572 176.430 176.870 0.220 0.000 1.033 124 L CA -0.471 54.443 54.840 0.122 0.000 0.807 124 L CB 0.902 43.008 42.059 0.079 0.000 1.209 124 L HN 0.751 nan 8.230 nan 0.000 0.423 125 Y N 0.764 121.040 120.300 -0.040 0.000 2.588 125 Y HA 0.812 5.362 4.550 -0.000 0.000 0.343 125 Y C -0.960 174.891 175.900 -0.083 0.000 1.065 125 Y CA -1.404 56.674 58.100 -0.037 0.000 1.038 125 Y CB 1.599 40.038 38.460 -0.036 0.000 1.297 125 Y HN 0.368 nan 8.280 nan 0.000 0.467 126 R N 2.171 122.630 120.500 -0.069 0.000 2.750 126 R HA 0.690 5.029 4.340 -0.000 0.000 0.281 126 R C -1.680 174.420 176.300 -0.333 0.000 0.972 126 R CA -1.013 54.890 56.100 -0.329 0.000 0.912 126 R CB 2.843 32.858 30.300 -0.476 0.000 1.187 126 R HN 0.748 nan 8.270 nan 0.000 0.464 127 I N 2.509 122.835 120.570 -0.405 0.000 2.406 127 I HA 0.319 4.489 4.170 -0.000 0.000 0.290 127 I C -0.913 174.963 176.117 -0.403 0.000 0.999 127 I CA -0.590 60.536 61.300 -0.289 0.000 1.124 127 I CB 1.217 39.134 38.000 -0.138 0.000 1.289 127 I HN 0.360 nan 8.210 nan 0.000 0.441 128 F N 3.565 123.546 119.950 0.051 0.000 2.385 128 F HA 0.317 4.844 4.527 -0.000 0.000 0.360 128 F C 0.744 176.586 175.800 0.070 0.000 1.122 128 F CA -0.817 57.233 58.000 0.082 0.000 1.090 128 F CB 1.404 40.489 39.000 0.141 0.000 1.150 128 F HN 0.314 nan 8.300 nan 0.000 0.472 129 T N 1.857 116.533 114.554 0.205 0.000 2.910 129 T HA 0.627 4.977 4.350 -0.000 0.000 0.323 129 T C -0.420 174.445 174.700 0.275 0.000 1.091 129 T CA -0.653 61.561 62.100 0.191 0.000 0.960 129 T CB 0.119 69.086 68.868 0.164 0.000 1.024 129 T HN 0.481 nan 8.240 nan 0.000 0.509 130 V N 1.740 121.843 119.914 0.315 0.000 3.019 130 V HA 0.810 4.930 4.120 -0.000 0.000 0.317 130 V C -0.122 176.128 176.094 0.260 0.000 1.094 130 V CA -1.342 61.126 62.300 0.281 0.000 1.000 130 V CB 1.622 33.629 31.823 0.308 0.000 1.060 130 V HN 0.890 nan 8.190 nan 0.000 0.443 131 N N 0.911 119.725 118.700 0.191 0.000 2.443 131 N HA 0.225 4.965 4.740 -0.000 0.000 0.294 131 N C 0.796 176.477 175.510 0.285 0.000 1.289 131 N CA 0.324 53.474 53.050 0.165 0.000 0.966 131 N CB -0.345 38.227 38.487 0.142 0.000 1.122 131 N HN 0.952 nan 8.380 nan 0.000 0.569 132 H N -2.449 116.670 119.070 0.082 0.000 2.536 132 H HA 0.328 4.884 4.556 -0.000 0.000 0.276 132 H C -0.334 175.168 175.328 0.290 0.000 1.019 132 H CA 0.125 56.310 56.048 0.229 0.000 1.159 132 H CB -0.225 29.575 29.762 0.062 0.000 1.373 132 H HN 0.552 nan 8.280 nan 0.000 0.584 133 K N 0.943 121.333 120.400 -0.018 0.000 2.438 133 K HA 0.284 4.604 4.320 -0.000 0.000 0.205 133 K C 0.409 177.067 176.600 0.096 0.000 1.033 133 K CA -0.102 56.180 56.287 -0.008 0.000 1.089 133 K CB 0.771 33.199 32.500 -0.121 0.000 0.857 133 K HN 0.081 nan 8.250 nan 0.000 0.522 134 L N 0.555 121.880 121.223 0.169 0.000 4.429 134 L HA -0.280 4.060 4.340 -0.000 0.000 0.422 134 L C -0.351 176.567 176.870 0.080 0.000 1.149 134 L CA 0.493 55.407 54.840 0.123 0.000 0.972 134 L CB -1.920 40.122 42.059 -0.029 0.000 2.059 134 L HN 0.225 nan 8.230 nan 0.000 0.870 135 L N 0.237 121.509 121.223 0.081 0.000 2.399 135 L HA 0.452 4.792 4.340 -0.000 0.000 0.266 135 L C -1.748 175.173 176.870 0.085 0.000 1.114 135 L CA -1.858 53.019 54.840 0.062 0.000 0.804 135 L CB 0.443 42.525 42.059 0.039 0.000 1.146 135 L HN -0.259 nan 8.230 nan 0.000 0.451 136 P HA 0.151 nan 4.420 nan 0.000 0.271 136 P C -0.932 176.417 177.300 0.081 0.000 1.218 136 P CA -0.071 63.085 63.100 0.093 0.000 0.780 136 P CB 1.206 32.950 31.700 0.074 0.000 0.901 137 V N 1.935 121.907 119.914 0.097 0.000 3.012 137 V HA 0.713 4.833 4.120 -0.000 0.000 0.307 137 V C -0.308 175.837 176.094 0.086 0.000 1.166 137 V CA -0.641 61.704 62.300 0.075 0.000 0.974 137 V CB 2.410 34.267 31.823 0.056 0.000 1.040 137 V HN 0.649 nan 8.190 nan 0.000 0.428 138 G N 5.288 114.123 108.800 0.059 0.000 2.607 138 G HA2 0.664 4.624 3.960 -0.000 0.000 0.332 138 G HA3 0.664 4.624 3.960 -0.000 0.000 0.332 138 G C -0.411 174.527 174.900 0.064 0.000 1.046 138 G CA -0.435 44.701 45.100 0.059 0.000 1.099 138 G HN 0.655 nan 8.290 nan 0.000 0.451 139 R N 0.908 121.475 120.500 0.112 0.000 2.905 139 R HA 0.557 4.897 4.340 -0.000 0.000 0.260 139 R C -0.731 175.653 176.300 0.140 0.000 1.086 139 R CA -0.861 55.317 56.100 0.131 0.000 0.978 139 R CB 1.616 32.019 30.300 0.171 0.000 1.215 139 R HN 0.342 nan 8.270 nan 0.000 0.480 140 T N 1.511 116.145 114.554 0.134 0.000 2.780 140 T HA 0.335 4.685 4.350 -0.000 0.000 0.294 140 T C -0.362 174.394 174.700 0.093 0.000 0.949 140 T CA -0.302 61.850 62.100 0.088 0.000 1.074 140 T CB 0.863 69.768 68.868 0.062 0.000 0.910 140 T HN 0.128 nan 8.240 nan 0.000 0.501 141 V N 5.133 125.038 119.914 -0.016 0.000 2.628 141 V HA 0.516 4.636 4.120 -0.000 0.000 0.306 141 V C -0.424 175.544 176.094 -0.210 0.000 1.045 141 V CA -1.087 61.129 62.300 -0.139 0.000 0.905 141 V CB 1.860 33.565 31.823 -0.196 0.000 0.997 141 V HN 0.727 nan 8.190 nan 0.000 0.436 142 M N 4.646 123.990 119.600 -0.427 0.000 2.180 142 M HA 0.580 5.060 4.480 -0.000 0.000 0.350 142 M C -0.672 175.345 176.300 -0.471 0.000 1.125 142 M CA -0.878 54.109 55.300 -0.522 0.000 1.031 142 M CB 1.089 33.164 32.600 -0.876 0.000 1.623 142 M HN 0.363 nan 8.290 nan 0.000 0.451 143 V N 3.747 123.522 119.914 -0.230 0.000 2.588 143 V HA 0.550 4.670 4.120 -0.000 0.000 0.304 143 V C -0.388 175.661 176.094 -0.075 0.000 1.042 143 V CA -0.862 61.369 62.300 -0.115 0.000 0.877 143 V CB 2.047 33.868 31.823 -0.002 0.000 0.996 143 V HN 0.841 nan 8.190 nan 0.000 0.425 144 N N 4.244 122.905 118.700 -0.066 0.000 2.346 144 N HA 0.553 5.293 4.740 -0.000 0.000 0.289 144 N C -1.167 174.270 175.510 -0.121 0.000 1.027 144 N CA -0.816 52.189 53.050 -0.075 0.000 0.864 144 N CB 2.189 40.656 38.487 -0.034 0.000 1.370 144 N HN 0.481 nan 8.380 nan 0.000 0.481 145 I N 1.629 122.074 120.570 -0.208 0.000 2.441 145 I HA 0.156 4.326 4.170 -0.000 0.000 0.287 145 I C 0.381 176.398 176.117 -0.167 0.000 1.049 145 I CA 0.214 61.347 61.300 -0.278 0.000 1.381 145 I CB 0.841 38.402 38.000 -0.731 0.000 1.409 145 I HN 0.642 nan 8.210 nan 0.000 0.523 146 E N 5.993 126.135 120.200 -0.097 0.000 2.224 146 E HA 0.261 4.611 4.350 -0.000 0.000 0.265 146 E C -0.704 175.664 176.600 -0.386 0.000 0.878 146 E CA -0.772 55.520 56.400 -0.180 0.000 0.759 146 E CB 1.514 31.124 29.700 -0.151 0.000 1.164 146 E HN 0.712 nan 8.360 nan 0.000 0.414 147 N N 3.552 121.842 118.700 -0.683 0.000 2.381 147 N HA 0.213 4.953 4.740 -0.000 0.000 0.254 147 N C -2.107 172.838 175.510 -0.942 0.000 1.264 147 N CA -1.501 50.671 53.050 -1.465 0.000 0.942 147 N CB 0.278 38.025 38.487 -1.234 0.000 1.190 147 N HN 0.197 nan 8.380 nan 0.000 0.495 148 P HA -0.152 nan 4.420 nan 0.000 0.223 148 P C 0.337 177.445 177.300 -0.320 0.000 1.144 148 P CA 1.369 64.157 63.100 -0.519 0.000 0.783 148 P CB -0.026 31.444 31.700 -0.384 0.000 0.771 149 E N -1.615 118.402 120.200 -0.306 0.000 2.474 149 E HA 0.215 4.565 4.350 -0.000 0.000 0.195 149 E C 0.905 177.400 176.600 -0.176 0.000 1.039 149 E CA 0.536 56.819 56.400 -0.195 0.000 0.881 149 E CB -0.425 29.186 29.700 -0.150 0.000 0.970 149 E HN 0.129 nan 8.360 nan 0.000 0.486 150 G N 1.481 110.149 108.800 -0.219 0.000 2.143 150 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.175 150 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.175 150 G C -0.139 174.669 174.900 -0.152 0.000 1.004 150 G CA -0.173 44.825 45.100 -0.169 0.000 0.671 150 G HN 0.195 nan 8.290 nan 0.000 0.512 151 I N 1.884 122.342 120.570 -0.185 0.000 2.354 151 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 151 I C -1.884 174.153 176.117 -0.133 0.000 0.989 151 I CA -3.292 57.927 61.300 -0.136 0.000 1.188 151 I CB 0.865 38.795 38.000 -0.117 0.000 1.342 151 I HN -0.116 nan 8.210 nan 0.000 0.457 152 P HA -0.009 nan 4.420 nan 0.000 0.264 152 P C 0.612 177.879 177.300 -0.055 0.000 1.183 152 P CA 0.378 63.434 63.100 -0.073 0.000 0.763 152 P CB 1.199 32.874 31.700 -0.041 0.000 0.807 153 V N -0.138 119.740 119.914 -0.059 0.000 3.380 153 V HA 0.368 4.488 4.120 -0.000 0.000 0.277 153 V C 0.283 176.363 176.094 -0.025 0.000 1.590 153 V CA 0.458 62.760 62.300 0.003 0.000 1.019 153 V CB -0.012 31.879 31.823 0.114 0.000 0.828 153 V HN 0.423 nan 8.190 nan 0.000 0.427 154 K N 0.823 121.146 120.400 -0.128 0.000 2.498 154 K HA 0.611 4.931 4.320 -0.000 0.000 0.254 154 K C -1.363 175.183 176.600 -0.090 0.000 0.933 154 K CA -0.439 55.779 56.287 -0.115 0.000 0.806 154 K CB 2.675 35.017 32.500 -0.263 0.000 1.301 154 K HN 0.468 nan 8.250 nan 0.000 0.432 155 Q N 1.304 121.082 119.800 -0.036 0.000 2.416 155 Q HA 0.459 4.798 4.340 -0.000 0.000 0.279 155 Q C -1.451 174.541 176.000 -0.014 0.000 1.101 155 Q CA -1.009 54.777 55.803 -0.028 0.000 0.830 155 Q CB 2.285 31.016 28.738 -0.012 0.000 1.402 155 Q HN 0.504 nan 8.270 nan 0.000 0.445 156 D N -0.222 120.162 120.400 -0.026 0.000 2.663 156 D HA 0.327 4.967 4.640 -0.000 0.000 0.233 156 D C -1.697 174.573 176.300 -0.050 0.000 1.240 156 D CA -0.180 53.807 54.000 -0.022 0.000 0.774 156 D CB 2.452 43.250 40.800 -0.003 0.000 1.443 156 D HN 0.335 nan 8.370 nan 0.000 0.441 157 S N 1.657 117.333 115.700 -0.041 0.000 2.736 157 S HA 0.655 5.125 4.470 -0.000 0.000 0.285 157 S C -1.564 173.012 174.600 -0.040 0.000 1.163 157 S CA -0.667 57.504 58.200 -0.050 0.000 1.025 157 S CB 0.318 63.500 63.200 -0.029 0.000 1.030 157 S HN 0.276 nan 8.310 nan 0.000 0.486 158 L N 2.399 123.592 121.223 -0.051 0.000 2.309 158 L HA 0.691 5.030 4.340 -0.000 0.000 0.261 158 L C 0.174 177.029 176.870 -0.026 0.000 1.021 158 L CA -0.756 54.059 54.840 -0.042 0.000 0.823 158 L CB 1.564 43.586 42.059 -0.062 0.000 1.366 158 L HN 0.648 nan 8.230 nan 0.000 0.423 159 S N -0.539 115.152 115.700 -0.016 0.000 2.498 159 S HA 0.286 4.756 4.470 -0.000 0.000 0.317 159 S C 0.627 175.226 174.600 -0.002 0.000 1.090 159 S CA -0.407 57.795 58.200 0.003 0.000 1.089 159 S CB 0.874 64.081 63.200 0.011 0.000 0.997 159 S HN 0.653 nan 8.310 nan 0.000 0.470 160 S N 3.470 119.178 115.700 0.013 0.000 2.851 160 S HA 0.082 4.552 4.470 -0.000 0.000 0.227 160 S C 0.421 175.036 174.600 0.024 0.000 0.958 160 S CA -0.180 58.027 58.200 0.013 0.000 0.990 160 S CB -0.322 62.898 63.200 0.033 0.000 0.790 160 S HN 0.712 nan 8.310 nan 0.000 0.509 161 Q N 2.505 122.318 119.800 0.020 0.000 2.332 161 Q HA 0.241 4.581 4.340 -0.000 0.000 0.263 161 Q C 0.348 176.354 176.000 0.011 0.000 0.979 161 Q CA 0.477 56.291 55.803 0.019 0.000 0.885 161 Q CB -0.136 28.612 28.738 0.016 0.000 1.218 161 Q HN 0.478 nan 8.270 nan 0.000 0.405 162 N N 2.713 121.420 118.700 0.012 0.000 2.721 162 N HA -0.256 4.484 4.740 -0.000 0.000 0.249 162 N C -0.561 174.952 175.510 0.004 0.000 1.072 162 N CA 0.715 53.769 53.050 0.007 0.000 0.710 162 N CB -0.203 38.286 38.487 0.003 0.000 0.993 162 N HN 0.594 nan 8.380 nan 0.000 0.547 163 Q N 0.236 120.041 119.800 0.009 0.000 2.103 163 Q HA 0.297 4.637 4.340 -0.000 0.000 0.219 163 Q C 0.128 176.138 176.000 0.016 0.000 0.784 163 Q CA -0.272 55.532 55.803 0.002 0.000 1.014 163 Q CB 0.477 29.210 28.738 -0.007 0.000 1.183 163 Q HN 0.358 nan 8.270 nan 0.000 0.469 164 L N 0.688 121.927 121.223 0.027 0.000 3.742 164 L HA -0.248 4.092 4.340 -0.000 0.000 0.431 164 L C 0.889 177.804 176.870 0.075 0.000 1.220 164 L CA 1.594 56.460 54.840 0.044 0.000 0.863 164 L CB -2.320 39.761 42.059 0.037 0.000 1.751 164 L HN 0.631 nan 8.230 nan 0.000 0.922 165 G N -1.052 107.793 108.800 0.075 0.000 2.233 165 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.270 165 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.270 165 G C 0.373 175.336 174.900 0.105 0.000 1.011 165 G CA 0.517 45.683 45.100 0.109 0.000 0.762 165 G HN 0.488 nan 8.290 nan 0.000 0.511 166 V N 0.607 120.539 119.914 0.030 0.000 2.448 166 V HA 0.617 4.737 4.120 -0.000 0.000 0.295 166 V C 0.357 176.359 176.094 -0.153 0.000 1.025 166 V CA -0.685 61.557 62.300 -0.097 0.000 0.859 166 V CB 1.903 33.708 31.823 -0.029 0.000 0.988 166 V HN 0.246 nan 8.190 nan 0.000 0.431 167 L N 7.868 128.939 121.223 -0.253 0.000 2.324 167 L HA 0.452 4.792 4.340 -0.000 0.000 0.274 167 L C -2.403 174.297 176.870 -0.284 0.000 1.012 167 L CA -1.531 53.178 54.840 -0.218 0.000 0.859 167 L CB 2.368 44.315 42.059 -0.186 0.000 1.224 167 L HN 0.444 nan 8.230 nan 0.000 0.429 168 P HA 0.362 nan 4.420 nan 0.000 0.287 168 P C -1.072 176.030 177.300 -0.329 0.000 1.281 168 P CA -0.133 62.806 63.100 -0.267 0.000 0.781 168 P CB 1.421 33.019 31.700 -0.171 0.000 0.903 169 L N 2.100 123.003 121.223 -0.535 0.000 2.466 169 L HA 0.567 4.907 4.340 -0.000 0.000 0.258 169 L C 0.165 176.608 176.870 -0.712 0.000 0.973 169 L CA -0.668 53.773 54.840 -0.665 0.000 0.826 169 L CB 2.455 43.939 42.059 -0.958 0.000 1.372 169 L HN 0.411 nan 8.230 nan 0.000 0.409 170 S N -0.344 115.200 115.700 -0.259 0.000 2.632 170 S HA 0.787 5.257 4.470 -0.000 0.000 0.289 170 S C -1.887 172.901 174.600 0.314 0.000 1.115 170 S CA -0.697 57.529 58.200 0.044 0.000 0.889 170 S CB 2.615 65.810 63.200 -0.008 0.000 1.116 170 S HN 0.635 nan 8.310 nan 0.000 0.486 171 W N 1.623 122.971 121.300 0.080 0.000 3.211 171 W HA 0.500 5.160 4.660 -0.000 0.000 0.335 171 W C -2.094 174.368 176.519 -0.095 0.000 1.113 171 W CA -0.630 56.719 57.345 0.006 0.000 1.235 171 W CB 1.266 30.730 29.460 0.006 0.000 1.365 171 W HN 0.656 nan 8.180 nan 0.000 0.476 172 D N 5.792 125.802 120.400 -0.650 0.000 2.339 172 D HA 0.207 4.847 4.640 -0.000 0.000 0.256 172 D C 0.312 175.724 176.300 -1.480 0.000 1.214 172 D CA 0.424 53.953 54.000 -0.784 0.000 0.877 172 D CB 0.873 41.423 40.800 -0.417 0.000 1.111 172 D HN 0.298 nan 8.370 nan 0.000 0.478 173 I N 5.170 124.973 120.570 -1.278 0.000 2.452 173 I HA 0.122 4.292 4.170 -0.000 0.000 0.287 173 I C -1.711 174.040 176.117 -0.609 0.000 1.079 173 I CA -1.578 58.988 61.300 -1.223 0.000 1.387 173 I CB 0.503 38.019 38.000 -0.806 0.000 1.404 173 I HN 0.107 nan 8.210 nan 0.000 0.522 174 P HA 0.074 nan 4.420 nan 0.000 0.274 174 P C 0.205 177.428 177.300 -0.128 0.000 1.246 174 P CA -0.243 62.744 63.100 -0.188 0.000 0.795 174 P CB 1.096 32.761 31.700 -0.057 0.000 1.006 175 E N 0.199 120.349 120.200 -0.083 0.000 2.047 175 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 175 E C 0.562 177.151 176.600 -0.018 0.000 0.987 175 E CA 1.048 57.414 56.400 -0.057 0.000 0.799 175 E CB -0.242 29.430 29.700 -0.047 0.000 0.752 175 E HN 0.437 nan 8.360 nan 0.000 0.449 176 L N 1.083 122.309 121.223 0.006 0.000 2.260 176 L HA 0.259 4.599 4.340 -0.000 0.000 0.289 176 L C -0.239 176.678 176.870 0.079 0.000 1.057 176 L CA -0.309 54.554 54.840 0.038 0.000 0.811 176 L CB 1.474 43.556 42.059 0.038 0.000 1.184 176 L HN -0.221 nan 8.230 nan 0.000 0.429 177 V N 3.267 123.248 119.914 0.110 0.000 3.098 177 V HA 0.281 4.401 4.120 -0.000 0.000 0.294 177 V C -0.917 175.330 176.094 0.256 0.000 1.351 177 V CA -0.809 61.616 62.300 0.208 0.000 0.999 177 V CB 2.749 34.664 31.823 0.153 0.000 1.104 177 V HN 0.684 nan 8.190 nan 0.000 0.438 178 N N 3.985 122.908 118.700 0.372 0.000 2.406 178 N HA 0.351 5.091 4.740 -0.000 0.000 0.265 178 N C -0.139 175.610 175.510 0.398 0.000 1.203 178 N CA 0.043 53.264 53.050 0.286 0.000 0.945 178 N CB 0.421 38.989 38.487 0.136 0.000 1.165 178 N HN 0.602 nan 8.380 nan 0.000 0.485 179 M N 1.794 121.549 119.600 0.258 0.000 2.252 179 M HA 0.234 4.714 4.480 -0.000 0.000 0.329 179 M C 1.178 177.607 176.300 0.215 0.000 1.101 179 M CA 1.101 56.549 55.300 0.247 0.000 1.117 179 M CB 0.114 32.805 32.600 0.152 0.000 1.563 179 M HN 0.718 nan 8.290 nan 0.000 0.445 180 G N 1.475 110.419 108.800 0.239 0.000 2.298 180 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.309 180 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.309 180 G C -1.667 173.342 174.900 0.181 0.000 1.279 180 G CA -1.002 44.185 45.100 0.146 0.000 1.042 180 G HN 0.499 nan 8.290 nan 0.000 0.480 181 Q N 0.370 120.192 119.800 0.038 0.000 2.472 181 Q HA 0.364 4.704 4.340 -0.000 0.000 0.227 181 Q C -0.418 175.503 176.000 -0.132 0.000 1.156 181 Q CA -0.049 55.750 55.803 -0.007 0.000 0.924 181 Q CB 0.170 28.887 28.738 -0.035 0.000 1.354 181 Q HN 0.416 nan 8.270 nan 0.000 0.525 182 W N 1.949 122.999 121.300 -0.415 0.000 2.086 182 W HA 0.285 4.945 4.660 -0.000 0.000 0.355 182 W C 0.383 176.498 176.519 -0.674 0.000 1.313 182 W CA -0.120 56.848 57.345 -0.628 0.000 1.358 182 W CB 0.665 29.517 29.460 -1.012 0.000 1.166 182 W HN 0.221 nan 8.180 nan 0.000 0.630 183 K N 1.017 121.256 120.400 -0.268 0.000 2.501 183 K HA 0.473 4.793 4.320 -0.000 0.000 0.252 183 K C -1.239 175.348 176.600 -0.022 0.000 0.934 183 K CA -0.514 55.691 56.287 -0.135 0.000 0.797 183 K CB 1.846 34.280 32.500 -0.110 0.000 1.270 183 K HN 0.218 nan 8.250 nan 0.000 0.431 184 I N 2.846 123.446 120.570 0.049 0.000 2.354 184 I HA 0.444 4.614 4.170 -0.000 0.000 0.292 184 I C -0.449 175.678 176.117 0.017 0.000 0.989 184 I CA -0.781 60.521 61.300 0.004 0.000 1.188 184 I CB 1.648 39.619 38.000 -0.048 0.000 1.342 184 I HN 0.368 nan 8.210 nan 0.000 0.457 185 R N 4.837 125.338 120.500 0.002 0.000 2.473 185 R HA 0.702 5.042 4.340 -0.000 0.000 0.303 185 R C -1.093 175.233 176.300 0.044 0.000 1.002 185 R CA -0.442 55.686 56.100 0.046 0.000 0.884 185 R CB 2.189 32.516 30.300 0.045 0.000 1.173 185 R HN 0.747 nan 8.270 nan 0.000 0.464 186 A N 2.945 125.813 122.820 0.080 0.000 2.365 186 A HA 0.775 5.095 4.320 -0.000 0.000 0.318 186 A C -1.436 176.237 177.584 0.148 0.000 1.091 186 A CA -0.679 51.356 52.037 -0.003 0.000 0.763 186 A CB 0.892 19.872 19.000 -0.033 0.000 1.248 186 A HN 0.708 nan 8.150 nan 0.000 0.442 187 Y N -1.160 119.165 120.300 0.042 0.000 2.609 187 Y HA 0.685 5.235 4.550 -0.000 0.000 0.336 187 Y C -1.317 174.587 175.900 0.005 0.000 1.129 187 Y CA -1.800 56.352 58.100 0.086 0.000 1.040 187 Y CB 0.488 38.990 38.460 0.071 0.000 1.310 187 Y HN 0.580 nan 8.280 nan 0.000 0.460 188 Y N 1.982 122.481 120.300 0.332 0.000 2.346 188 Y HA 0.104 4.654 4.550 -0.000 0.000 0.330 188 Y C 1.845 177.907 175.900 0.270 0.000 1.178 188 Y CA 0.388 58.600 58.100 0.187 0.000 1.331 188 Y CB 1.256 39.797 38.460 0.134 0.000 1.253 188 Y HN 0.948 nan 8.280 nan 0.000 0.529 189 E N 1.890 122.284 120.200 0.324 0.000 2.070 189 E HA -0.322 4.028 4.350 -0.000 0.000 0.197 189 E C 1.205 177.944 176.600 0.231 0.000 1.004 189 E CA 1.871 58.427 56.400 0.259 0.000 0.805 189 E CB 0.039 29.829 29.700 0.150 0.000 0.744 189 E HN 0.741 nan 8.360 nan 0.000 0.451 190 N N -0.026 118.781 118.700 0.179 0.000 2.381 190 N HA -0.067 4.673 4.740 -0.000 0.000 0.182 190 N C 0.174 175.738 175.510 0.091 0.000 1.025 190 N CA 0.908 54.018 53.050 0.100 0.000 0.888 190 N CB 0.245 38.758 38.487 0.044 0.000 0.965 190 N HN -0.038 nan 8.380 nan 0.000 0.438 191 S N 0.697 116.490 115.700 0.156 0.000 2.139 191 S HA 0.292 4.762 4.470 -0.000 0.000 0.183 191 S C -2.099 172.530 174.600 0.048 0.000 1.473 191 S CA -1.003 57.256 58.200 0.099 0.000 1.263 191 S CB 1.655 64.929 63.200 0.123 0.000 1.170 191 S HN 0.056 nan 8.310 nan 0.000 0.430 192 P HA -0.148 nan 4.420 nan 0.000 0.225 192 P C 1.565 178.610 177.300 -0.424 0.000 1.148 192 P CA 0.876 63.701 63.100 -0.458 0.000 0.779 192 P CB 0.055 31.529 31.700 -0.377 0.000 0.780 193 Q N -0.510 119.164 119.800 -0.210 0.000 2.444 193 Q HA -0.025 4.315 4.340 -0.000 0.000 0.206 193 Q C 0.439 176.343 176.000 -0.161 0.000 0.948 193 Q CA 0.689 56.388 55.803 -0.174 0.000 0.946 193 Q CB -0.190 28.479 28.738 -0.115 0.000 1.027 193 Q HN 0.318 nan 8.270 nan 0.000 0.513 194 Q N 0.834 120.544 119.800 -0.151 0.000 2.394 194 Q HA 0.477 4.816 4.340 -0.000 0.000 0.261 194 Q C -1.730 174.113 176.000 -0.262 0.000 1.023 194 Q CA -0.382 55.295 55.803 -0.210 0.000 0.720 194 Q CB 1.764 30.419 28.738 -0.140 0.000 1.241 194 Q HN 0.062 nan 8.270 nan 0.000 0.483 195 V N 4.826 124.536 119.914 -0.341 0.000 2.459 195 V HA 0.515 4.635 4.120 -0.000 0.000 0.295 195 V C -0.728 175.143 176.094 -0.373 0.000 1.029 195 V CA -0.486 61.709 62.300 -0.175 0.000 0.874 195 V CB 1.238 33.030 31.823 -0.051 0.000 0.985 195 V HN 0.575 nan 8.190 nan 0.000 0.438 196 F N 2.188 122.161 119.950 0.038 0.000 2.436 196 F HA 0.691 5.218 4.527 -0.000 0.000 0.340 196 F C 0.672 176.481 175.800 0.016 0.000 1.113 196 F CA -0.169 57.832 58.000 0.002 0.000 1.022 196 F CB 1.976 40.940 39.000 -0.061 0.000 1.128 196 F HN 0.416 nan 8.300 nan 0.000 0.466 197 S N 0.622 116.426 115.700 0.174 0.000 2.671 197 S HA 0.891 5.361 4.470 -0.000 0.000 0.299 197 S C -0.797 173.885 174.600 0.136 0.000 1.116 197 S CA -0.883 57.388 58.200 0.118 0.000 0.912 197 S CB 2.305 65.542 63.200 0.062 0.000 1.130 197 S HN 0.560 nan 8.310 nan 0.000 0.501 198 T N 1.035 115.664 114.554 0.124 0.000 2.889 198 T HA 0.455 4.804 4.350 -0.000 0.000 0.315 198 T C -1.385 173.404 174.700 0.149 0.000 1.291 198 T CA -0.912 61.279 62.100 0.152 0.000 1.028 198 T CB 1.724 70.709 68.868 0.195 0.000 1.235 198 T HN 0.546 nan 8.240 nan 0.000 0.491 199 E N 0.875 121.166 120.200 0.152 0.000 2.212 199 E HA 0.731 5.081 4.350 -0.000 0.000 0.270 199 E C -1.222 175.547 176.600 0.281 0.000 0.956 199 E CA -0.894 55.574 56.400 0.113 0.000 0.825 199 E CB 1.680 31.416 29.700 0.060 0.000 1.167 199 E HN 0.611 nan 8.360 nan 0.000 0.400 200 F N -1.364 118.699 119.950 0.187 0.000 2.608 200 F HA 0.444 4.971 4.527 -0.000 0.000 0.309 200 F C -0.727 175.240 175.800 0.278 0.000 1.103 200 F CA -1.162 56.985 58.000 0.245 0.000 0.954 200 F CB 1.123 40.303 39.000 0.299 0.000 1.267 200 F HN 0.270 nan 8.300 nan 0.000 0.444 201 E N 2.112 122.564 120.200 0.420 0.000 2.266 201 E HA 0.609 4.959 4.350 -0.000 0.000 0.277 201 E C -1.593 175.268 176.600 0.434 0.000 1.018 201 E CA -0.859 55.732 56.400 0.318 0.000 0.840 201 E CB 1.847 31.679 29.700 0.220 0.000 1.082 201 E HN 0.663 nan 8.360 nan 0.000 0.395 202 V N 5.123 125.258 119.914 0.367 0.000 2.384 202 V HA 0.453 4.573 4.120 -0.000 0.000 0.287 202 V C -0.064 176.192 176.094 0.269 0.000 1.020 202 V CA -0.442 62.041 62.300 0.306 0.000 0.850 202 V CB 1.357 33.273 31.823 0.154 0.000 0.987 202 V HN 0.672 nan 8.190 nan 0.000 0.436 203 K N 2.909 123.464 120.400 0.259 0.000 2.548 203 K HA 0.550 4.870 4.320 -0.000 0.000 0.282 203 K C -1.258 175.424 176.600 0.137 0.000 1.006 203 K CA -0.802 55.624 56.287 0.231 0.000 0.892 203 K CB 2.608 35.288 32.500 0.300 0.000 1.499 203 K HN 0.689 nan 8.250 nan 0.000 0.433 204 E N 1.758 122.015 120.200 0.096 0.000 2.113 204 E HA 0.290 4.640 4.350 -0.000 0.000 0.273 204 E C -1.512 175.125 176.600 0.062 0.000 0.924 204 E CA -0.569 55.818 56.400 -0.021 0.000 0.764 204 E CB 1.011 30.706 29.700 -0.007 0.000 1.104 204 E HN 0.418 nan 8.360 nan 0.000 0.406 205 Y N -0.308 119.996 120.300 0.006 0.000 2.689 205 Y HA 0.630 5.180 4.550 -0.000 0.000 0.333 205 Y C -1.240 174.653 175.900 -0.012 0.000 1.208 205 Y CA -1.385 56.712 58.100 -0.005 0.000 1.055 205 Y CB 0.539 38.993 38.460 -0.011 0.000 1.304 205 Y HN 0.181 nan 8.280 nan 0.000 0.455 206 V N -0.032 120.040 119.914 0.262 0.000 3.001 206 V HA 0.681 4.801 4.120 -0.000 0.000 0.314 206 V C -0.906 175.329 176.094 0.236 0.000 1.099 206 V CA -1.209 61.214 62.300 0.204 0.000 0.989 206 V CB 1.754 33.625 31.823 0.080 0.000 1.040 206 V HN 0.795 nan 8.190 nan 0.000 0.434 207 L N 4.816 126.138 121.223 0.165 0.000 2.455 207 L HA 0.447 4.787 4.340 -0.000 0.000 0.272 207 L C -1.631 175.253 176.870 0.023 0.000 1.174 207 L CA -1.029 53.844 54.840 0.056 0.000 0.869 207 L CB -0.282 41.797 42.059 0.033 0.000 1.130 207 L HN 0.703 nan 8.230 nan 0.000 0.474 208 P HA 0.127 nan 4.420 nan 0.000 0.272 208 P C 0.249 177.551 177.300 0.004 0.000 1.240 208 P CA -0.325 62.735 63.100 -0.068 0.000 0.791 208 P CB 0.609 32.178 31.700 -0.218 0.000 0.978 209 S N 0.051 115.810 115.700 0.098 0.000 2.503 209 S HA 0.141 4.611 4.470 -0.000 0.000 0.217 209 S C 0.558 175.347 174.600 0.315 0.000 0.999 209 S CA -0.217 58.148 58.200 0.275 0.000 0.914 209 S CB -0.797 62.670 63.200 0.444 0.000 0.782 209 S HN 0.562 nan 8.310 nan 0.000 0.520 210 F N 0.644 120.552 119.950 -0.070 0.000 2.824 210 F HA 0.860 5.387 4.527 -0.000 0.000 0.330 210 F C -1.115 174.590 175.800 -0.159 0.000 1.175 210 F CA -1.233 56.634 58.000 -0.222 0.000 0.974 210 F CB 0.891 39.532 39.000 -0.597 0.000 1.430 210 F HN 0.170 nan 8.300 nan 0.000 0.507 211 E N 0.487 120.642 120.200 -0.074 0.000 2.343 211 E HA 0.709 5.058 4.350 -0.000 0.000 0.270 211 E C -2.108 174.478 176.600 -0.023 0.000 0.895 211 E CA -1.190 55.131 56.400 -0.133 0.000 0.767 211 E CB 2.720 32.389 29.700 -0.051 0.000 1.248 211 E HN 0.549 nan 8.360 nan 0.000 0.440 212 V N 2.838 122.710 119.914 -0.070 0.000 2.531 212 V HA 0.435 4.555 4.120 -0.000 0.000 0.301 212 V C -0.624 175.458 176.094 -0.020 0.000 1.034 212 V CA -0.643 61.649 62.300 -0.013 0.000 0.865 212 V CB 1.308 33.117 31.823 -0.023 0.000 0.995 212 V HN 0.631 nan 8.190 nan 0.000 0.424 213 I N 5.404 125.970 120.570 -0.007 0.000 2.418 213 I HA 0.553 4.723 4.170 -0.000 0.000 0.287 213 I C -0.381 175.729 176.117 -0.011 0.000 1.008 213 I CA -0.871 60.423 61.300 -0.009 0.000 1.104 213 I CB 2.068 40.066 38.000 -0.003 0.000 1.264 213 I HN 0.502 nan 8.210 nan 0.000 0.438 214 V N 3.046 122.952 119.914 -0.015 0.000 2.350 214 V HA 0.643 4.763 4.120 -0.000 0.000 0.285 214 V C -0.675 175.413 176.094 -0.011 0.000 1.014 214 V CA -0.137 62.151 62.300 -0.021 0.000 0.831 214 V CB 1.387 33.185 31.823 -0.042 0.000 1.000 214 V HN 0.646 nan 8.190 nan 0.000 0.433 215 E N 6.730 126.928 120.200 -0.003 0.000 2.224 215 E HA 0.502 4.852 4.350 -0.000 0.000 0.265 215 E C -2.956 173.652 176.600 0.013 0.000 0.878 215 E CA -1.826 54.578 56.400 0.006 0.000 0.759 215 E CB 3.008 32.710 29.700 0.004 0.000 1.164 215 E HN 0.605 nan 8.360 nan 0.000 0.414 216 P HA 0.020 nan 4.420 nan 0.000 0.275 216 P C 0.934 178.224 177.300 -0.017 0.000 1.227 216 P CA -0.085 63.026 63.100 0.018 0.000 0.781 216 P CB 0.700 32.416 31.700 0.026 0.000 0.906 217 T N -0.770 113.770 114.554 -0.024 0.000 2.929 217 T HA -0.066 4.283 4.350 -0.000 0.000 0.271 217 T C 0.481 175.123 174.700 -0.097 0.000 1.085 217 T CA 0.986 63.060 62.100 -0.043 0.000 1.125 217 T CB -0.277 68.572 68.868 -0.031 0.000 0.874 217 T HN 0.458 nan 8.240 nan 0.000 0.494 218 E N 0.284 120.380 120.200 -0.174 0.000 2.256 218 E HA 0.361 4.711 4.350 -0.000 0.000 0.267 218 E C -0.461 175.949 176.600 -0.318 0.000 0.892 218 E CA -0.811 55.382 56.400 -0.345 0.000 0.775 218 E CB 1.878 31.175 29.700 -0.671 0.000 1.207 218 E HN 0.139 nan 8.360 nan 0.000 0.420 219 K N 1.741 122.000 120.400 -0.236 0.000 2.665 219 K HA 0.128 4.448 4.320 -0.000 0.000 0.214 219 K C -0.534 176.146 176.600 0.132 0.000 1.032 219 K CA 0.299 56.581 56.287 -0.008 0.000 1.198 219 K CB -0.507 32.044 32.500 0.085 0.000 0.941 219 K HN 0.289 nan 8.250 nan 0.000 0.491 220 F N -3.520 116.456 119.950 0.044 0.000 2.858 220 F HA 0.346 4.873 4.527 -0.000 0.000 0.319 220 F C -1.703 174.180 175.800 0.138 0.000 1.166 220 F CA -1.893 56.145 58.000 0.064 0.000 0.899 220 F CB 0.664 39.664 39.000 -0.000 0.000 1.332 220 F HN -0.197 nan 8.300 nan 0.000 0.461 221 Y N 2.031 122.518 120.300 0.311 0.000 2.328 221 Y HA 0.545 5.095 4.550 -0.000 0.000 0.336 221 Y C -1.591 174.519 175.900 0.351 0.000 0.960 221 Y CA -1.650 56.583 58.100 0.222 0.000 1.134 221 Y CB 1.014 39.519 38.460 0.074 0.000 1.166 221 Y HN 0.711 nan 8.280 nan 0.000 0.464 222 Y N 7.924 127.888 120.300 -0.560 0.000 2.365 222 Y HA 0.253 4.803 4.550 -0.000 0.000 0.340 222 Y C 0.995 176.278 175.900 -1.029 0.000 1.016 222 Y CA -1.496 56.290 58.100 -0.523 0.000 1.196 222 Y CB 0.631 39.004 38.460 -0.146 0.000 1.167 222 Y HN 0.728 nan 8.280 nan 0.000 0.509 223 I N 2.708 122.709 120.570 -0.949 0.000 2.567 223 I HA -0.241 3.929 4.170 -0.000 0.000 0.257 223 I C 0.404 175.973 176.117 -0.912 0.000 1.184 223 I CA 1.345 62.146 61.300 -0.832 0.000 1.451 223 I CB -0.572 36.974 38.000 -0.756 0.000 1.089 223 I HN 0.473 nan 8.210 nan 0.000 0.441 224 Y N 0.859 120.527 120.300 -1.055 0.000 2.468 224 Y HA 0.247 4.797 4.550 -0.000 0.000 0.268 224 Y C 0.776 176.382 175.900 -0.491 0.000 1.177 224 Y CA -1.139 56.518 58.100 -0.737 0.000 1.265 224 Y CB -0.971 37.061 38.460 -0.712 0.000 1.103 224 Y HN 0.227 nan 8.280 nan 0.000 0.522 225 N N 1.884 120.350 118.700 -0.391 0.000 2.416 225 N HA -0.030 4.710 4.740 -0.000 0.000 0.265 225 N C 0.321 175.847 175.510 0.027 0.000 1.195 225 N CA -0.010 53.004 53.050 -0.060 0.000 0.943 225 N CB 0.742 39.208 38.487 -0.035 0.000 1.115 225 N HN 0.408 nan 8.380 nan 0.000 0.481 226 E N 3.321 123.549 120.200 0.046 0.000 2.106 226 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 226 E C 1.054 177.685 176.600 0.052 0.000 0.984 226 E CA 1.160 57.587 56.400 0.046 0.000 0.806 226 E CB 0.089 29.809 29.700 0.034 0.000 0.750 226 E HN 0.565 nan 8.360 nan 0.000 0.458 227 K N 0.600 121.035 120.400 0.060 0.000 2.442 227 K HA 0.014 4.334 4.320 -0.000 0.000 0.198 227 K C 0.967 177.591 176.600 0.041 0.000 1.042 227 K CA 0.426 56.739 56.287 0.044 0.000 0.958 227 K CB -0.173 32.353 32.500 0.043 0.000 0.766 227 K HN 0.268 nan 8.250 nan 0.000 0.474 228 G N 1.360 110.223 108.800 0.105 0.000 2.525 228 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 228 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 228 G C -1.140 173.819 174.900 0.099 0.000 1.238 228 G CA -0.303 44.823 45.100 0.044 0.000 0.926 228 G HN 0.178 nan 8.290 nan 0.000 0.574 229 L N 0.881 122.009 121.223 -0.158 0.000 2.316 229 L HA 0.745 5.085 4.340 -0.000 0.000 0.280 229 L C 0.188 177.040 176.870 -0.031 0.000 1.006 229 L CA -0.437 54.356 54.840 -0.079 0.000 0.836 229 L CB 1.411 43.331 42.059 -0.233 0.000 1.221 229 L HN 0.742 nan 8.230 nan 0.000 0.418 230 E N 3.316 123.532 120.200 0.027 0.000 2.259 230 E HA 0.477 4.827 4.350 -0.000 0.000 0.281 230 E C -1.422 175.222 176.600 0.073 0.000 1.037 230 E CA -0.335 56.090 56.400 0.041 0.000 0.854 230 E CB 1.080 30.792 29.700 0.020 0.000 1.051 230 E HN 0.521 nan 8.360 nan 0.000 0.409 231 V N 4.004 123.982 119.914 0.107 0.000 2.638 231 V HA 0.290 4.410 4.120 -0.000 0.000 0.306 231 V C -0.434 175.691 176.094 0.051 0.000 1.052 231 V CA -0.720 61.637 62.300 0.096 0.000 0.885 231 V CB 2.389 34.301 31.823 0.150 0.000 0.999 231 V HN 0.740 nan 8.190 nan 0.000 0.424 232 T N 6.090 120.658 114.554 0.024 0.000 2.795 232 T HA 0.572 4.921 4.350 -0.000 0.000 0.282 232 T C -0.372 174.327 174.700 -0.002 0.000 0.980 232 T CA -0.308 61.797 62.100 0.009 0.000 1.012 232 T CB 0.845 69.716 68.868 0.005 0.000 0.936 232 T HN 0.277 nan 8.240 nan 0.000 0.457 233 I N 3.354 123.919 120.570 -0.009 0.000 2.336 233 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 233 I C 0.503 176.610 176.117 -0.017 0.000 0.991 233 I CA -0.452 60.838 61.300 -0.016 0.000 1.227 233 I CB 1.050 39.035 38.000 -0.024 0.000 1.366 233 I HN 0.545 nan 8.210 nan 0.000 0.466 234 T N 5.888 120.434 114.554 -0.013 0.000 2.786 234 T HA 0.707 5.057 4.350 -0.000 0.000 0.283 234 T C -0.118 174.578 174.700 -0.008 0.000 0.992 234 T CA -0.473 61.618 62.100 -0.015 0.000 0.954 234 T CB 1.597 70.460 68.868 -0.009 0.000 0.934 234 T HN 0.713 nan 8.240 nan 0.000 0.440 235 A N 3.871 126.673 122.820 -0.030 0.000 2.342 235 A HA 0.909 5.229 4.320 -0.000 0.000 0.323 235 A C -0.237 177.289 177.584 -0.097 0.000 1.125 235 A CA -0.871 51.157 52.037 -0.014 0.000 0.785 235 A CB 1.129 20.096 19.000 -0.055 0.000 1.221 235 A HN 0.821 nan 8.150 nan 0.000 0.463 236 R N 2.114 122.577 120.500 -0.061 0.000 2.566 236 R HA 0.521 4.861 4.340 -0.000 0.000 0.271 236 R C -1.943 174.278 176.300 -0.132 0.000 1.071 236 R CA -0.602 55.432 56.100 -0.109 0.000 0.915 236 R CB 0.854 31.137 30.300 -0.029 0.000 1.228 236 R HN 0.500 nan 8.270 nan 0.000 0.449 237 F N 4.046 123.889 119.950 -0.179 0.000 2.518 237 F HA 0.135 4.662 4.527 -0.000 0.000 0.359 237 F C 1.635 177.198 175.800 -0.396 0.000 1.118 237 F CA -0.053 57.712 58.000 -0.393 0.000 1.287 237 F CB 0.750 39.141 39.000 -1.015 0.000 1.132 237 F HN 0.501 nan 8.300 nan 0.000 0.587 238 L N 2.671 123.848 121.223 -0.077 0.000 2.349 238 L HA -0.254 4.086 4.340 -0.000 0.000 0.220 238 L C 1.566 178.448 176.870 0.020 0.000 1.130 238 L CA 1.058 55.891 54.840 -0.013 0.000 0.791 238 L CB -0.708 41.379 42.059 0.047 0.000 0.918 238 L HN 0.743 nan 8.230 nan 0.000 0.444 239 Y N -2.168 118.224 120.300 0.153 0.000 2.490 239 Y HA 0.494 5.044 4.550 -0.000 0.000 0.281 239 Y C 1.561 177.511 175.900 0.083 0.000 1.174 239 Y CA -0.035 58.116 58.100 0.085 0.000 1.295 239 Y CB -0.365 38.116 38.460 0.035 0.000 1.062 239 Y HN 0.037 nan 8.280 nan 0.000 0.522 240 G N -0.392 108.434 108.800 0.042 0.000 2.278 240 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.210 240 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.210 240 G C 0.292 175.250 174.900 0.096 0.000 1.000 240 G CA -0.419 44.732 45.100 0.086 0.000 0.635 240 G HN 0.139 nan 8.290 nan 0.000 0.495 241 K N 1.202 121.685 120.400 0.138 0.000 2.168 241 K HA 0.491 4.811 4.320 -0.000 0.000 0.258 241 K C 0.658 177.382 176.600 0.207 0.000 1.010 241 K CA -0.147 56.256 56.287 0.192 0.000 0.929 241 K CB 0.836 33.512 32.500 0.293 0.000 0.998 241 K HN 0.361 nan 8.250 nan 0.000 0.479 242 K N 0.202 120.702 120.400 0.167 0.000 2.107 242 K HA 0.303 4.623 4.320 -0.000 0.000 0.251 242 K C -0.281 176.388 176.600 0.115 0.000 1.012 242 K CA -0.584 55.757 56.287 0.091 0.000 0.920 242 K CB 0.860 33.387 32.500 0.045 0.000 1.033 242 K HN 0.136 nan 8.250 nan 0.000 0.478 243 V N 2.141 121.996 119.914 -0.100 0.000 2.513 243 V HA 0.214 4.334 4.120 -0.000 0.000 0.299 243 V C -0.614 175.355 176.094 -0.208 0.000 1.035 243 V CA -0.726 61.400 62.300 -0.290 0.000 0.889 243 V CB 1.729 33.120 31.823 -0.720 0.000 0.988 243 V HN 0.657 nan 8.190 nan 0.000 0.440 244 E N 2.890 122.974 120.200 -0.193 0.000 2.171 244 E HA 0.772 5.122 4.350 -0.000 0.000 0.271 244 E C 0.141 176.398 176.600 -0.572 0.000 0.916 244 E CA -0.205 56.064 56.400 -0.219 0.000 0.774 244 E CB 2.333 32.036 29.700 0.005 0.000 1.128 244 E HN 0.934 nan 8.360 nan 0.000 0.403 245 G N 1.245 109.604 108.800 -0.735 0.000 2.348 245 G HA2 0.313 4.273 3.960 -0.000 0.000 0.296 245 G HA3 0.313 4.273 3.960 -0.000 0.000 0.296 245 G C -1.231 173.404 174.900 -0.442 0.000 1.258 245 G CA -0.570 43.984 45.100 -0.910 0.000 0.868 245 G HN 0.309 nan 8.290 nan 0.000 0.488 246 T N 0.239 114.626 114.554 -0.277 0.000 2.841 246 T HA 0.766 5.116 4.350 -0.000 0.000 0.283 246 T C -0.215 174.321 174.700 -0.273 0.000 1.000 246 T CA 0.242 62.207 62.100 -0.224 0.000 0.977 246 T CB 1.658 70.406 68.868 -0.201 0.000 0.979 246 T HN 1.487 nan 8.240 nan 0.000 0.446 247 A N 2.406 125.033 122.820 -0.321 0.000 2.343 247 A HA 0.811 5.131 4.320 -0.000 0.000 0.316 247 A C -1.147 176.206 177.584 -0.384 0.000 1.104 247 A CA -0.758 51.129 52.037 -0.250 0.000 0.768 247 A CB 0.548 19.482 19.000 -0.110 0.000 1.213 247 A HN 0.751 nan 8.150 nan 0.000 0.456 248 F N 2.622 122.571 119.950 -0.002 0.000 2.332 248 F HA 0.464 4.991 4.527 -0.000 0.000 0.368 248 F C 0.548 176.331 175.800 -0.028 0.000 1.110 248 F CA -0.657 57.340 58.000 -0.004 0.000 1.087 248 F CB 1.712 40.714 39.000 0.002 0.000 1.235 248 F HN 0.464 nan 8.300 nan 0.000 0.470 249 V N 3.397 123.366 119.914 0.092 0.000 2.630 249 V HA 0.773 4.893 4.120 -0.000 0.000 0.305 249 V C -0.747 175.330 176.094 -0.028 0.000 1.046 249 V CA -0.821 61.463 62.300 -0.028 0.000 0.934 249 V CB 2.023 33.775 31.823 -0.119 0.000 1.003 249 V HN 0.754 nan 8.190 nan 0.000 0.451 250 I N 3.623 124.098 120.570 -0.157 0.000 2.680 250 I HA 0.602 4.772 4.170 -0.000 0.000 0.291 250 I C -1.338 174.653 176.117 -0.209 0.000 1.244 250 I CA -0.514 60.751 61.300 -0.059 0.000 1.042 250 I CB 1.778 39.796 38.000 0.029 0.000 1.277 250 I HN 0.739 nan 8.210 nan 0.000 0.423 251 F N 4.798 124.695 119.950 -0.089 0.000 2.410 251 F HA 0.893 5.420 4.527 -0.000 0.000 0.324 251 F C 0.965 176.540 175.800 -0.376 0.000 1.093 251 F CA -0.286 57.585 58.000 -0.215 0.000 1.028 251 F CB 1.825 40.702 39.000 -0.205 0.000 1.309 251 F HN 0.445 nan 8.300 nan 0.000 0.499 252 G N 0.343 108.808 108.800 -0.557 0.000 2.702 252 G HA2 0.559 4.519 3.960 -0.000 0.000 0.296 252 G HA3 0.559 4.519 3.960 -0.000 0.000 0.296 252 G C -1.982 172.442 174.900 -0.794 0.000 1.463 252 G CA -0.831 43.765 45.100 -0.840 0.000 0.890 252 G HN 0.446 nan 8.290 nan 0.000 0.534 253 I N 0.119 120.523 120.570 -0.276 0.000 2.440 253 I HA 0.598 4.768 4.170 -0.000 0.000 0.294 253 I C 0.308 176.512 176.117 0.145 0.000 0.995 253 I CA -0.661 60.600 61.300 -0.064 0.000 1.306 253 I CB 1.897 39.883 38.000 -0.024 0.000 1.407 253 I HN 0.504 nan 8.210 nan 0.000 0.501 254 Q N 3.603 123.517 119.800 0.191 0.000 2.365 254 Q HA 0.574 4.914 4.340 -0.000 0.000 0.269 254 Q C -1.814 174.254 176.000 0.114 0.000 1.061 254 Q CA -0.643 55.285 55.803 0.208 0.000 0.816 254 Q CB 2.039 30.930 28.738 0.255 0.000 1.325 254 Q HN 0.736 nan 8.270 nan 0.000 0.446 255 D N 1.980 122.431 120.400 0.086 0.000 2.688 255 D HA 0.251 4.891 4.640 -0.000 0.000 0.210 255 D C 0.132 176.458 176.300 0.044 0.000 1.333 255 D CA -0.171 53.864 54.000 0.058 0.000 0.920 255 D CB 1.050 41.879 40.800 0.049 0.000 1.554 255 D HN 0.605 nan 8.370 nan 0.000 0.579 256 G N 2.486 111.307 108.800 0.036 0.000 2.448 256 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.218 256 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.218 256 G C 0.806 175.725 174.900 0.031 0.000 1.135 256 G CA 0.619 45.741 45.100 0.036 0.000 0.784 256 G HN 0.500 nan 8.290 nan 0.000 0.543 257 E N -0.929 119.285 120.200 0.023 0.000 2.539 257 E HA 0.153 4.503 4.350 -0.000 0.000 0.215 257 E C 0.938 177.548 176.600 0.015 0.000 0.965 257 E CA -0.295 56.111 56.400 0.011 0.000 1.019 257 E CB 0.436 30.137 29.700 0.002 0.000 1.059 257 E HN 0.318 nan 8.360 nan 0.000 0.496 258 Q N 2.047 121.866 119.800 0.030 0.000 2.307 258 Q HA 0.147 4.487 4.340 -0.000 0.000 0.261 258 Q C -0.590 175.453 176.000 0.071 0.000 1.051 258 Q CA 0.062 55.889 55.803 0.039 0.000 0.911 258 Q CB 0.429 29.190 28.738 0.038 0.000 1.227 258 Q HN 0.032 nan 8.270 nan 0.000 0.418 259 R N 4.201 124.744 120.500 0.072 0.000 2.229 259 R HA 0.384 4.724 4.340 -0.000 0.000 0.332 259 R C -0.623 175.773 176.300 0.160 0.000 0.989 259 R CA -0.542 55.648 56.100 0.149 0.000 0.842 259 R CB 0.908 31.234 30.300 0.044 0.000 1.119 259 R HN 0.519 nan 8.270 nan 0.000 0.456 260 I N 2.361 123.042 120.570 0.185 0.000 2.405 260 I HA 0.118 4.288 4.170 -0.000 0.000 0.280 260 I C 0.572 176.748 176.117 0.098 0.000 1.027 260 I CA -0.321 61.045 61.300 0.109 0.000 1.161 260 I CB 1.082 39.117 38.000 0.059 0.000 1.300 260 I HN 0.508 nan 8.210 nan 0.000 0.463 261 S N 6.544 122.311 115.700 0.112 0.000 2.568 261 S HA 0.415 4.885 4.470 -0.000 0.000 0.282 261 S C -0.040 174.573 174.600 0.022 0.000 1.338 261 S CA -0.114 58.133 58.200 0.078 0.000 1.045 261 S CB 0.339 63.595 63.200 0.094 0.000 0.873 261 S HN 0.431 nan 8.310 nan 0.000 0.516 262 L N 6.387 127.612 121.223 0.003 0.000 2.356 262 L HA 0.346 4.686 4.340 -0.000 0.000 0.264 262 L C -1.886 174.999 176.870 0.026 0.000 1.029 262 L CA -1.603 53.237 54.840 0.000 0.000 0.897 262 L CB 1.447 43.491 42.059 -0.026 0.000 1.256 262 L HN 0.494 nan 8.230 nan 0.000 0.444 263 P HA -0.155 nan 4.420 nan 0.000 0.220 263 P C 1.167 178.487 177.300 0.033 0.000 1.148 263 P CA 0.873 63.992 63.100 0.032 0.000 0.803 263 P CB 0.369 32.083 31.700 0.023 0.000 0.782 264 E N -0.075 120.136 120.200 0.019 0.000 2.478 264 E HA -0.084 4.266 4.350 -0.000 0.000 0.198 264 E C 1.543 178.154 176.600 0.018 0.000 1.046 264 E CA 0.771 57.179 56.400 0.013 0.000 0.870 264 E CB -0.000 29.697 29.700 -0.004 0.000 0.818 264 E HN 0.271 nan 8.360 nan 0.000 0.527 265 S N 0.036 115.760 115.700 0.039 0.000 2.458 265 S HA -0.060 4.410 4.470 -0.000 0.000 0.223 265 S C 0.964 175.658 174.600 0.157 0.000 1.019 265 S CA -0.382 57.864 58.200 0.076 0.000 0.937 265 S CB -0.255 63.020 63.200 0.126 0.000 0.788 265 S HN 0.229 nan 8.310 nan 0.000 0.511 266 L N 3.424 124.728 121.223 0.133 0.000 2.706 266 L HA 0.157 4.497 4.340 -0.000 0.000 0.282 266 L C -0.296 176.652 176.870 0.130 0.000 1.219 266 L CA 0.674 55.595 54.840 0.135 0.000 0.935 266 L CB -0.034 42.089 42.059 0.107 0.000 1.204 266 L HN 0.131 nan 8.230 nan 0.000 0.491 267 K N 5.520 126.004 120.400 0.139 0.000 2.306 267 K HA 0.532 4.852 4.320 -0.000 0.000 0.236 267 K C -0.815 175.833 176.600 0.080 0.000 1.013 267 K CA -0.854 55.493 56.287 0.100 0.000 0.857 267 K CB 1.815 34.369 32.500 0.090 0.000 1.214 267 K HN 0.585 nan 8.250 nan 0.000 0.449 268 R N 2.040 122.547 120.500 0.012 0.000 2.467 268 R HA 0.352 4.692 4.340 -0.000 0.000 0.299 268 R C -0.630 175.596 176.300 -0.124 0.000 1.120 268 R CA -0.311 55.715 56.100 -0.123 0.000 0.940 268 R CB 0.340 30.578 30.300 -0.103 0.000 1.161 268 R HN 0.740 nan 8.270 nan 0.000 0.506 269 I N 0.767 121.248 120.570 -0.149 0.000 2.648 269 I HA 0.721 4.891 4.170 -0.000 0.000 0.304 269 I C -2.621 173.430 176.117 -0.110 0.000 1.009 269 I CA -3.135 58.109 61.300 -0.093 0.000 1.114 269 I CB 2.196 40.164 38.000 -0.053 0.000 1.293 269 I HN 0.305 nan 8.210 nan 0.000 0.449 270 P HA 0.339 nan 4.420 nan 0.000 0.284 270 P C -0.866 176.402 177.300 -0.054 0.000 1.253 270 P CA -0.276 62.800 63.100 -0.040 0.000 0.800 270 P CB 0.870 32.571 31.700 0.002 0.000 0.961 271 I N 3.101 123.621 120.570 -0.084 0.000 2.307 271 I HA 0.266 4.436 4.170 -0.000 0.000 0.287 271 I C 0.555 176.629 176.117 -0.071 0.000 1.054 271 I CA -0.204 61.038 61.300 -0.096 0.000 1.218 271 I CB -0.252 37.656 38.000 -0.154 0.000 1.398 271 I HN 0.331 nan 8.210 nan 0.000 0.475 272 E N 4.203 124.383 120.200 -0.034 0.000 2.183 272 E HA 0.225 4.575 4.350 -0.000 0.000 0.271 272 E C -0.287 176.304 176.600 -0.015 0.000 0.919 272 E CA -0.510 55.885 56.400 -0.009 0.000 0.781 272 E CB 1.295 31.000 29.700 0.008 0.000 1.140 272 E HN 0.424 nan 8.360 nan 0.000 0.402 273 D N 2.167 122.563 120.400 -0.007 0.000 2.772 273 D HA -0.189 4.451 4.640 -0.000 0.000 0.233 273 D C 0.632 176.922 176.300 -0.017 0.000 1.143 273 D CA 1.632 55.631 54.000 -0.002 0.000 0.700 273 D CB -1.150 39.652 40.800 0.004 0.000 1.076 273 D HN 0.901 nan 8.370 nan 0.000 0.430 274 G N -1.542 107.230 108.800 -0.046 0.000 2.179 274 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.257 274 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.257 274 G C 0.263 175.129 174.900 -0.057 0.000 1.010 274 G CA 0.889 45.946 45.100 -0.072 0.000 0.736 274 G HN 0.958 nan 8.290 nan 0.000 0.513 275 S N -1.587 114.085 115.700 -0.046 0.000 2.588 275 S HA 0.900 5.370 4.470 -0.000 0.000 0.275 275 S C -0.070 174.510 174.600 -0.032 0.000 1.130 275 S CA 0.497 58.678 58.200 -0.032 0.000 0.855 275 S CB 2.013 65.203 63.200 -0.017 0.000 1.116 275 S HN 1.857 nan 8.310 nan 0.000 0.472 276 G N 1.572 110.357 108.800 -0.025 0.000 2.691 276 G HA2 0.516 4.476 3.960 -0.000 0.000 0.298 276 G HA3 0.516 4.476 3.960 -0.000 0.000 0.298 276 G C -2.064 172.831 174.900 -0.009 0.000 1.471 276 G CA -0.555 44.532 45.100 -0.021 0.000 0.912 276 G HN 0.564 nan 8.290 nan 0.000 0.553 277 E N -0.827 119.373 120.200 -0.000 0.000 2.235 277 E HA 0.745 5.095 4.350 -0.000 0.000 0.265 277 E C -1.073 175.543 176.600 0.028 0.000 0.940 277 E CA -1.048 55.361 56.400 0.014 0.000 0.819 277 E CB 3.106 32.814 29.700 0.013 0.000 1.206 277 E HN 0.652 nan 8.360 nan 0.000 0.409 278 V N 1.491 121.439 119.914 0.057 0.000 2.950 278 V HA 0.343 4.463 4.120 -0.000 0.000 0.295 278 V C -1.903 174.272 176.094 0.134 0.000 1.297 278 V CA -0.576 61.781 62.300 0.096 0.000 0.962 278 V CB 1.996 33.894 31.823 0.125 0.000 1.081 278 V HN 0.416 nan 8.190 nan 0.000 0.432 279 V N 6.516 126.475 119.914 0.074 0.000 2.555 279 V HA 0.544 4.664 4.120 -0.000 0.000 0.302 279 V C -0.310 175.644 176.094 -0.232 0.000 1.038 279 V CA -0.702 61.577 62.300 -0.035 0.000 0.887 279 V CB 1.665 33.457 31.823 -0.051 0.000 0.991 279 V HN 0.900 nan 8.190 nan 0.000 0.434 280 L N 4.830 125.661 121.223 -0.654 0.000 2.283 280 L HA 0.467 4.807 4.340 -0.000 0.000 0.287 280 L C 0.629 177.193 176.870 -0.510 0.000 1.073 280 L CA 0.651 54.897 54.840 -0.990 0.000 0.822 280 L CB 1.094 42.056 42.059 -1.828 0.000 1.186 280 L HN 0.778 nan 8.230 nan 0.000 0.436 281 S N 4.768 120.269 115.700 -0.331 0.000 2.549 281 S HA 0.100 4.570 4.470 -0.000 0.000 0.286 281 S C 1.367 175.841 174.600 -0.210 0.000 1.314 281 S CA 0.012 58.091 58.200 -0.202 0.000 1.062 281 S CB 0.420 63.542 63.200 -0.130 0.000 0.865 281 S HN 0.900 nan 8.310 nan 0.000 0.498 282 R N 2.993 123.413 120.500 -0.133 0.000 2.148 282 R HA -0.046 4.293 4.340 -0.000 0.000 0.227 282 R C 2.162 178.415 176.300 -0.079 0.000 1.103 282 R CA 1.512 57.555 56.100 -0.095 0.000 0.983 282 R CB -0.200 30.107 30.300 0.012 0.000 0.874 282 R HN 0.799 nan 8.270 nan 0.000 0.451 283 K N -0.121 120.238 120.400 -0.068 0.000 2.057 283 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 283 K C 1.828 178.388 176.600 -0.067 0.000 1.050 283 K CA 1.169 57.424 56.287 -0.053 0.000 0.935 283 K CB 0.137 32.613 32.500 -0.040 0.000 0.715 283 K HN 0.010 nan 8.250 nan 0.000 0.439 284 V N 1.595 121.453 119.914 -0.093 0.000 2.407 284 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 284 V C 2.201 178.229 176.094 -0.109 0.000 1.055 284 V CA 1.511 63.753 62.300 -0.097 0.000 1.049 284 V CB -0.390 31.362 31.823 -0.119 0.000 0.662 284 V HN 0.363 nan 8.190 nan 0.000 0.455 285 L N -0.364 120.769 121.223 -0.151 0.000 2.044 285 L HA -0.064 4.276 4.340 -0.000 0.000 0.205 285 L C 2.164 178.976 176.870 -0.098 0.000 1.075 285 L CA 1.836 56.582 54.840 -0.158 0.000 0.747 285 L CB -0.547 41.367 42.059 -0.241 0.000 0.903 285 L HN 0.179 nan 8.230 nan 0.000 0.435 286 L N -0.363 120.814 121.223 -0.077 0.000 2.131 286 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 286 L C 1.706 178.554 176.870 -0.036 0.000 1.092 286 L CA 1.058 55.871 54.840 -0.046 0.000 0.759 286 L CB -0.628 41.413 42.059 -0.031 0.000 0.903 286 L HN 0.298 nan 8.230 nan 0.000 0.435 287 D N -0.477 119.899 120.400 -0.041 0.000 2.355 287 D HA -0.022 4.618 4.640 -0.000 0.000 0.218 287 D C 1.934 178.217 176.300 -0.029 0.000 1.004 287 D CA 0.837 54.819 54.000 -0.030 0.000 0.880 287 D CB 0.191 40.974 40.800 -0.028 0.000 0.911 287 D HN 0.305 nan 8.370 nan 0.000 0.528 288 G N 0.000 108.777 108.800 -0.038 0.000 2.939 288 G HA2 0.160 4.120 3.960 -0.000 0.000 0.210 288 G HA3 0.160 4.120 3.960 -0.000 0.000 0.210 288 G C 0.755 175.641 174.900 -0.023 0.000 1.160 288 G CA 0.083 45.164 45.100 -0.032 0.000 0.770 288 G HN 0.077 nan 8.290 nan 0.000 0.543 294 A N 2.743 125.567 122.820 0.006 0.000 2.067 294 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 294 A C 1.030 178.578 177.584 -0.059 0.000 1.158 294 A CA 1.489 53.511 52.037 -0.025 0.000 0.661 294 A CB -0.106 18.886 19.000 -0.012 0.000 0.801 294 A HN 0.771 nan 8.150 nan 0.000 0.452 295 E N 0.066 120.257 120.200 -0.017 0.000 2.385 295 E HA -0.005 4.345 4.350 -0.000 0.000 0.194 295 E C 0.733 177.327 176.600 -0.010 0.000 1.013 295 E CA 0.484 56.873 56.400 -0.017 0.000 0.866 295 E CB 0.021 29.741 29.700 0.033 0.000 0.832 295 E HN 0.447 nan 8.360 nan 0.000 0.500 296 D N -0.019 120.378 120.400 -0.004 0.000 2.371 296 D HA -0.029 4.611 4.640 -0.000 0.000 0.221 296 D C 1.185 177.485 176.300 0.000 0.000 0.986 296 D CA 0.522 54.523 54.000 0.002 0.000 0.899 296 D CB 0.250 41.053 40.800 0.005 0.000 0.902 296 D HN 0.239 nan 8.370 nan 0.000 0.530 297 L N 0.281 121.499 121.223 -0.008 0.000 2.567 297 L HA 0.095 4.435 4.340 -0.000 0.000 0.225 297 L C 0.381 177.255 176.870 0.008 0.000 1.119 297 L CA 0.004 54.844 54.840 0.001 0.000 0.871 297 L CB 0.412 42.471 42.059 0.001 0.000 1.036 297 L HN -0.213 nan 8.230 nan 0.000 0.459 298 V N 1.267 121.176 119.914 -0.008 0.000 2.485 298 V HA 0.269 4.389 4.120 -0.000 0.000 0.287 298 V C 1.292 177.394 176.094 0.013 0.000 1.022 298 V CA 1.140 63.437 62.300 -0.005 0.000 1.067 298 V CB 0.308 32.120 31.823 -0.018 0.000 0.967 298 V HN 0.643 nan 8.190 nan 0.000 0.479 299 G N 4.402 113.216 108.800 0.024 0.000 2.259 299 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 299 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 299 G C 0.346 175.271 174.900 0.043 0.000 1.001 299 G CA 0.019 45.137 45.100 0.030 0.000 0.627 299 G HN 0.598 nan 8.290 nan 0.000 0.501 300 K N 0.965 121.393 120.400 0.046 0.000 2.118 300 K HA 0.607 4.926 4.320 -0.000 0.000 0.240 300 K C 0.704 177.350 176.600 0.077 0.000 1.035 300 K CA 0.371 56.693 56.287 0.058 0.000 0.899 300 K CB 0.844 33.373 32.500 0.048 0.000 1.085 300 K HN 0.554 nan 8.250 nan 0.000 0.498 301 S N -0.274 115.481 115.700 0.092 0.000 2.667 301 S HA 0.615 5.085 4.470 -0.000 0.000 0.292 301 S C -0.870 173.795 174.600 0.108 0.000 1.126 301 S CA -1.068 57.200 58.200 0.113 0.000 0.881 301 S CB 0.861 64.136 63.200 0.126 0.000 1.132 301 S HN 0.380 nan 8.310 nan 0.000 0.492 302 L N 1.961 123.249 121.223 0.107 0.000 2.346 302 L HA 0.648 4.988 4.340 -0.000 0.000 0.274 302 L C -1.241 175.700 176.870 0.119 0.000 1.007 302 L CA -1.028 53.838 54.840 0.043 0.000 0.818 302 L CB 1.659 43.730 42.059 0.020 0.000 1.284 302 L HN 0.919 nan 8.230 nan 0.000 0.424 303 Y N 0.945 121.286 120.300 0.069 0.000 2.536 303 Y HA 0.865 5.415 4.550 -0.000 0.000 0.347 303 Y C -0.991 174.885 175.900 -0.038 0.000 1.000 303 Y CA -1.339 56.773 58.100 0.021 0.000 1.051 303 Y CB 1.309 39.772 38.460 0.005 0.000 1.259 303 Y HN 0.152 nan 8.280 nan 0.000 0.468 304 V N 1.935 121.868 119.914 0.033 0.000 2.769 304 V HA 0.702 4.822 4.120 -0.000 0.000 0.312 304 V C -0.644 175.388 176.094 -0.105 0.000 1.061 304 V CA -0.719 61.417 62.300 -0.273 0.000 0.931 304 V CB 1.693 33.260 31.823 -0.427 0.000 1.010 304 V HN 0.903 nan 8.190 nan 0.000 0.433 305 S N 2.440 118.044 115.700 -0.161 0.000 2.594 305 S HA 0.841 5.311 4.470 -0.000 0.000 0.296 305 S C -0.654 173.900 174.600 -0.076 0.000 1.124 305 S CA -0.038 58.127 58.200 -0.058 0.000 1.011 305 S CB 1.394 64.602 63.200 0.015 0.000 1.016 305 S HN 1.409 nan 8.310 nan 0.000 0.485 306 A N 3.871 126.666 122.820 -0.042 0.000 2.330 306 A HA 0.746 5.066 4.320 -0.000 0.000 0.313 306 A C -0.228 177.379 177.584 0.038 0.000 1.124 306 A CA -0.645 51.387 52.037 -0.008 0.000 0.774 306 A CB 1.280 20.262 19.000 -0.030 0.000 1.198 306 A HN 0.722 nan 8.150 nan 0.000 0.465 307 T N 1.933 116.555 114.554 0.114 0.000 2.779 307 T HA 0.550 4.900 4.350 -0.000 0.000 0.280 307 T C -0.497 174.326 174.700 0.204 0.000 0.987 307 T CA -0.340 61.853 62.100 0.155 0.000 0.966 307 T CB 1.244 70.219 68.868 0.179 0.000 0.933 307 T HN 0.454 nan 8.240 nan 0.000 0.442 308 V N 5.005 125.023 119.914 0.172 0.000 2.444 308 V HA 0.511 4.631 4.120 -0.000 0.000 0.294 308 V C -0.304 175.935 176.094 0.242 0.000 1.022 308 V CA -0.843 61.562 62.300 0.174 0.000 0.850 308 V CB 1.279 33.224 31.823 0.203 0.000 0.992 308 V HN 0.795 nan 8.190 nan 0.000 0.426 309 I N 5.217 125.868 120.570 0.134 0.000 2.404 309 I HA 0.452 4.622 4.170 -0.000 0.000 0.293 309 I C -0.137 175.955 176.117 -0.041 0.000 0.992 309 I CA -0.616 60.758 61.300 0.123 0.000 1.149 309 I CB 1.665 39.767 38.000 0.169 0.000 1.315 309 I HN 0.349 nan 8.210 nan 0.000 0.446 310 L N 4.838 126.027 121.223 -0.056 0.000 2.452 310 L HA 0.169 4.509 4.340 -0.000 0.000 0.267 310 L C 1.289 178.122 176.870 -0.063 0.000 1.188 310 L CA -0.157 54.575 54.840 -0.180 0.000 0.821 310 L CB 0.249 42.245 42.059 -0.105 0.000 1.102 310 L HN 0.656 nan 8.230 nan 0.000 0.470 311 H N -0.173 118.887 119.070 -0.016 0.000 2.489 311 H HA -0.148 4.408 4.556 -0.000 0.000 0.295 311 H C 2.145 177.489 175.328 0.027 0.000 1.082 311 H CA 1.130 57.181 56.048 0.005 0.000 1.295 311 H CB 0.241 30.001 29.762 -0.003 0.000 1.380 311 H HN 0.785 nan 8.280 nan 0.000 0.548 312 S N -0.696 115.088 115.700 0.139 0.000 2.428 312 S HA -0.019 4.451 4.470 -0.000 0.000 0.230 312 S C 2.177 176.837 174.600 0.099 0.000 1.014 312 S CA 0.599 58.865 58.200 0.109 0.000 0.957 312 S CB -0.178 63.085 63.200 0.106 0.000 0.784 312 S HN 0.657 nan 8.310 nan 0.000 0.499 313 G N 0.740 109.601 108.800 0.102 0.000 2.189 313 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 313 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 313 G C 0.976 175.936 174.900 0.100 0.000 0.975 313 G CA 0.679 45.840 45.100 0.101 0.000 0.644 313 G HN 0.694 nan 8.290 nan 0.000 0.537 314 S N -0.202 115.561 115.700 0.106 0.000 2.515 314 S HA 0.274 4.744 4.470 -0.000 0.000 0.231 314 S C 0.507 175.181 174.600 0.123 0.000 0.987 314 S CA 1.167 59.431 58.200 0.105 0.000 0.936 314 S CB 0.189 63.453 63.200 0.106 0.000 0.766 314 S HN 0.794 nan 8.310 nan 0.000 0.528 315 D N -0.160 120.333 120.400 0.154 0.000 2.769 315 D HA 0.447 5.087 4.640 -0.000 0.000 0.219 315 D C -0.846 175.590 176.300 0.227 0.000 1.245 315 D CA -0.517 53.592 54.000 0.181 0.000 0.801 315 D CB 1.186 42.130 40.800 0.239 0.000 1.598 315 D HN 0.154 nan 8.370 nan 0.000 0.485 316 M N 1.754 121.443 119.600 0.148 0.000 2.667 316 M HA 0.841 5.321 4.480 -0.000 0.000 0.286 316 M C -1.663 174.609 176.300 -0.047 0.000 1.270 316 M CA -0.934 54.447 55.300 0.135 0.000 0.826 316 M CB 2.469 35.146 32.600 0.128 0.000 1.743 316 M HN 0.208 nan 8.290 nan 0.000 0.460 317 V N 0.445 120.297 119.914 -0.104 0.000 3.048 317 V HA 0.563 4.683 4.120 -0.000 0.000 0.303 317 V C -1.973 174.054 176.094 -0.112 0.000 1.214 317 V CA -0.176 61.991 62.300 -0.222 0.000 0.984 317 V CB 2.793 34.289 31.823 -0.545 0.000 1.054 317 V HN 1.120 nan 8.190 nan 0.000 0.430 318 Q N 2.870 122.613 119.800 -0.095 0.000 2.301 318 Q HA 0.933 5.273 4.340 -0.000 0.000 0.267 318 Q C -0.667 175.295 176.000 -0.065 0.000 1.035 318 Q CA -0.378 55.394 55.803 -0.052 0.000 0.856 318 Q CB 2.294 31.012 28.738 -0.034 0.000 1.337 318 Q HN 1.336 nan 8.270 nan 0.000 0.450 319 A N 1.621 124.415 122.820 -0.044 0.000 2.517 319 A HA 0.570 4.890 4.320 -0.000 0.000 0.297 319 A C -1.714 175.851 177.584 -0.032 0.000 1.050 319 A CA -0.721 51.291 52.037 -0.043 0.000 0.694 319 A CB 1.529 20.502 19.000 -0.045 0.000 1.277 319 A HN 0.773 nan 8.150 nan 0.000 0.400 320 E N 1.197 121.381 120.200 -0.027 0.000 2.275 320 E HA 0.658 5.007 4.350 -0.000 0.000 0.270 320 E C -0.797 175.802 176.600 -0.002 0.000 0.882 320 E CA -0.904 55.488 56.400 -0.014 0.000 0.758 320 E CB 1.792 31.485 29.700 -0.011 0.000 1.195 320 E HN 0.513 nan 8.360 nan 0.000 0.419 321 R N 2.161 122.668 120.500 0.012 0.000 2.297 321 R HA 0.456 4.796 4.340 -0.000 0.000 0.308 321 R C -1.103 175.244 176.300 0.078 0.000 1.029 321 R CA -0.099 56.019 56.100 0.031 0.000 0.929 321 R CB 1.492 31.806 30.300 0.022 0.000 1.046 321 R HN 0.604 nan 8.270 nan 0.000 0.461 322 S N 1.640 117.383 115.700 0.071 0.000 2.704 322 S HA 0.592 5.062 4.470 -0.000 0.000 0.305 322 S C -0.261 174.404 174.600 0.108 0.000 1.107 322 S CA -0.282 57.980 58.200 0.103 0.000 0.993 322 S CB 1.742 64.963 63.200 0.035 0.000 1.110 322 S HN 0.908 nan 8.310 nan 0.000 0.534 323 G N 1.227 110.105 108.800 0.130 0.000 2.366 323 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.299 323 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.299 323 G C -0.192 174.778 174.900 0.117 0.000 1.020 323 G CA -0.040 45.128 45.100 0.113 0.000 1.026 323 G HN 0.601 nan 8.290 nan 0.000 0.512 324 I N 1.452 122.102 120.570 0.134 0.000 2.347 324 I HA 0.188 4.358 4.170 -0.000 0.000 0.294 324 I C -1.787 174.429 176.117 0.164 0.000 1.090 324 I CA -2.019 59.368 61.300 0.145 0.000 1.314 324 I CB 0.884 38.969 38.000 0.141 0.000 1.423 324 I HN -0.031 nan 8.210 nan 0.000 0.503 325 P HA 0.215 nan 4.420 nan 0.000 0.276 325 P C -0.409 177.005 177.300 0.189 0.000 1.230 325 P CA -0.149 63.040 63.100 0.148 0.000 0.776 325 P CB 0.615 32.380 31.700 0.109 0.000 0.888 326 I N 3.472 124.134 120.570 0.153 0.000 2.337 326 I HA 0.258 4.428 4.170 -0.000 0.000 0.291 326 I C 0.732 176.891 176.117 0.069 0.000 1.046 326 I CA -0.511 60.887 61.300 0.164 0.000 1.324 326 I CB 0.590 38.681 38.000 0.151 0.000 1.409 326 I HN 0.148 nan 8.210 nan 0.000 0.494 327 V N 2.106 122.046 119.914 0.044 0.000 3.126 327 V HA 0.620 4.740 4.120 -0.000 0.000 0.314 327 V C 0.483 176.585 176.094 0.013 0.000 1.138 327 V CA -0.355 61.924 62.300 -0.034 0.000 1.034 327 V CB 1.770 33.480 31.823 -0.188 0.000 1.075 327 V HN 0.764 nan 8.190 nan 0.000 0.442 328 T N -2.182 112.379 114.554 0.011 0.000 3.129 328 T HA 0.464 4.814 4.350 -0.000 0.000 0.267 328 T C 0.324 175.055 174.700 0.050 0.000 1.018 328 T CA 0.432 62.626 62.100 0.157 0.000 0.903 328 T CB -0.343 68.603 68.868 0.129 0.000 1.067 328 T HN 1.479 nan 8.240 nan 0.000 0.549 329 S N 1.196 116.783 115.700 -0.189 0.000 2.560 329 S HA 0.498 4.968 4.470 -0.000 0.000 0.283 329 S C -2.983 171.254 174.600 -0.606 0.000 1.141 329 S CA -0.889 57.112 58.200 -0.331 0.000 0.902 329 S CB 1.885 64.984 63.200 -0.167 0.000 1.104 329 S HN -0.046 nan 8.310 nan 0.000 0.454 330 P HA 0.264 nan 4.420 nan 0.000 0.253 330 P C -1.031 175.606 177.300 -1.106 0.000 1.281 330 P CA 0.470 62.815 63.100 -1.259 0.000 0.792 330 P CB -0.393 30.639 31.700 -1.112 0.000 1.193 331 Y N -1.436 118.658 120.300 -0.343 0.000 2.562 331 Y HA 0.561 5.111 4.550 -0.000 0.000 0.345 331 Y C 0.289 176.036 175.900 -0.256 0.000 1.045 331 Y CA -0.954 56.992 58.100 -0.256 0.000 1.028 331 Y CB 1.635 39.968 38.460 -0.212 0.000 1.297 331 Y HN -0.305 nan 8.280 nan 0.000 0.463 332 Q N 1.444 121.187 119.800 -0.094 0.000 2.413 332 Q HA 0.745 5.085 4.340 -0.000 0.000 0.276 332 Q C -1.478 174.261 176.000 -0.435 0.000 1.099 332 Q CA -0.723 54.913 55.803 -0.279 0.000 0.814 332 Q CB 3.039 31.590 28.738 -0.311 0.000 1.379 332 Q HN 0.586 nan 8.270 nan 0.000 0.436 333 I N 1.476 121.708 120.570 -0.564 0.000 2.474 333 I HA 0.412 4.582 4.170 -0.000 0.000 0.294 333 I C -1.021 174.617 176.117 -0.798 0.000 1.005 333 I CA -0.593 60.358 61.300 -0.581 0.000 1.113 333 I CB 1.487 39.225 38.000 -0.436 0.000 1.289 333 I HN 0.631 nan 8.210 nan 0.000 0.436 334 H N 4.819 123.674 119.070 -0.358 0.000 2.717 334 H HA 0.408 4.964 4.556 -0.000 0.000 0.366 334 H C -0.955 174.177 175.328 -0.327 0.000 1.132 334 H CA -0.442 55.467 56.048 -0.232 0.000 1.180 334 H CB 1.877 31.655 29.762 0.025 0.000 1.678 334 H HN 0.403 nan 8.280 nan 0.000 0.537 335 F N 0.514 120.585 119.950 0.200 0.000 2.772 335 F HA 0.089 4.615 4.527 -0.000 0.000 0.302 335 F C 1.668 177.519 175.800 0.086 0.000 1.136 335 F CA -0.268 57.808 58.000 0.125 0.000 1.322 335 F CB 0.174 39.227 39.000 0.088 0.000 0.967 335 F HN 0.581 nan 8.300 nan 0.000 0.513 336 T N -3.542 111.136 114.554 0.205 0.000 3.035 336 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 336 T C 1.626 176.289 174.700 -0.062 0.000 1.109 336 T CA 0.932 63.065 62.100 0.056 0.000 1.119 336 T CB -0.072 68.795 68.868 -0.002 0.000 0.900 336 T HN 0.179 nan 8.240 nan 0.000 0.503 337 K N 0.761 121.155 120.400 -0.010 0.000 2.358 337 K HA 0.204 4.523 4.320 -0.000 0.000 0.197 337 K C -0.156 176.474 176.600 0.049 0.000 1.025 337 K CA 0.012 56.256 56.287 -0.071 0.000 1.104 337 K CB 0.739 33.222 32.500 -0.029 0.000 0.855 337 K HN 0.216 nan 8.250 nan 0.000 0.531 338 T N 3.704 118.328 114.554 0.116 0.000 2.767 338 T HA 0.240 4.590 4.350 -0.000 0.000 0.284 338 T C -2.608 172.158 174.700 0.110 0.000 0.973 338 T CA -1.813 60.362 62.100 0.124 0.000 0.996 338 T CB 1.450 70.462 68.868 0.240 0.000 0.927 338 T HN -0.039 nan 8.240 nan 0.000 0.456 339 P HA 0.103 nan 4.420 nan 0.000 0.267 339 P C 0.039 177.491 177.300 0.254 0.000 1.200 339 P CA -0.301 62.896 63.100 0.162 0.000 0.772 339 P CB 0.747 32.549 31.700 0.171 0.000 0.855 340 K N 1.797 122.261 120.400 0.107 0.000 2.493 340 K HA 0.179 4.499 4.320 -0.000 0.000 0.207 340 K C -0.455 175.919 176.600 -0.377 0.000 1.033 340 K CA -0.010 56.202 56.287 -0.125 0.000 1.161 340 K CB -0.052 32.272 32.500 -0.295 0.000 0.873 340 K HN 0.504 nan 8.250 nan 0.000 0.491 341 Y N 0.414 120.901 120.300 0.311 0.000 2.421 341 Y HA 0.326 4.876 4.550 -0.000 0.000 0.339 341 Y C -0.111 176.052 175.900 0.438 0.000 0.996 341 Y CA -1.765 56.505 58.100 0.284 0.000 1.046 341 Y CB 1.254 39.835 38.460 0.202 0.000 1.226 341 Y HN 0.003 nan 8.280 nan 0.000 0.445 342 F N -0.397 119.701 119.950 0.247 0.000 2.557 342 F HA 0.918 5.445 4.527 -0.000 0.000 0.336 342 F C -1.054 174.863 175.800 0.195 0.000 1.058 342 F CA -1.540 56.594 58.000 0.224 0.000 0.988 342 F CB 1.268 40.165 39.000 -0.172 0.000 1.275 342 F HN 0.110 nan 8.300 nan 0.000 0.488 343 K N 2.148 122.601 120.400 0.088 0.000 2.404 343 K HA 0.420 4.740 4.320 -0.000 0.000 0.257 343 K C -2.820 173.559 176.600 -0.368 0.000 1.026 343 K CA -1.974 54.147 56.287 -0.277 0.000 0.951 343 K CB 1.031 33.365 32.500 -0.276 0.000 1.203 343 K HN 0.240 nan 8.250 nan 0.000 0.446 344 P HA -0.035 nan 4.420 nan 0.000 0.261 344 P C 0.816 178.020 177.300 -0.159 0.000 1.183 344 P CA 0.976 64.032 63.100 -0.072 0.000 0.761 344 P CB 0.751 32.441 31.700 -0.015 0.000 0.785 345 G N 2.077 110.862 108.800 -0.026 0.000 2.241 345 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 345 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 345 G C 0.146 174.989 174.900 -0.095 0.000 0.998 345 G CA -0.126 44.934 45.100 -0.066 0.000 0.621 345 G HN 0.461 nan 8.290 nan 0.000 0.519 346 M N 0.929 120.457 119.600 -0.119 0.000 2.573 346 M HA 0.475 4.955 4.480 -0.000 0.000 0.309 346 M C -2.428 173.834 176.300 -0.064 0.000 1.202 346 M CA -2.044 53.184 55.300 -0.120 0.000 0.975 346 M CB 1.241 33.738 32.600 -0.171 0.000 1.600 346 M HN -0.135 nan 8.290 nan 0.000 0.479 347 P HA 0.052 nan 4.420 nan 0.000 0.269 347 P C -1.368 175.944 177.300 0.020 0.000 1.215 347 P CA 0.064 63.112 63.100 -0.088 0.000 0.780 347 P CB 0.295 31.881 31.700 -0.190 0.000 0.898 348 F N 2.196 122.121 119.950 -0.041 0.000 2.445 348 F HA 0.295 4.822 4.527 -0.000 0.000 0.348 348 F C -0.512 175.320 175.800 0.052 0.000 1.125 348 F CA -0.845 57.185 58.000 0.051 0.000 0.983 348 F CB 0.747 39.773 39.000 0.044 0.000 1.198 348 F HN 0.140 nan 8.300 nan 0.000 0.436 349 D N 6.399 126.561 120.400 -0.397 0.000 2.302 349 D HA 0.383 5.023 4.640 -0.000 0.000 0.248 349 D C -0.608 175.350 176.300 -0.571 0.000 1.094 349 D CA 0.235 54.038 54.000 -0.328 0.000 0.897 349 D CB 1.980 42.703 40.800 -0.129 0.000 1.200 349 D HN 0.480 nan 8.370 nan 0.000 0.429 350 L N 1.972 123.052 121.223 -0.238 0.000 2.356 350 L HA 0.330 4.670 4.340 -0.000 0.000 0.277 350 L C -0.243 176.636 176.870 0.014 0.000 0.996 350 L CA -0.634 54.152 54.840 -0.090 0.000 0.822 350 L CB 1.704 43.814 42.059 0.085 0.000 1.256 350 L HN 0.096 nan 8.230 nan 0.000 0.413 351 M N 4.483 124.121 119.600 0.064 0.000 2.385 351 M HA 0.303 4.783 4.480 -0.000 0.000 0.346 351 M C -0.659 175.725 176.300 0.139 0.000 1.180 351 M CA -0.486 54.868 55.300 0.089 0.000 1.154 351 M CB 0.699 33.352 32.600 0.088 0.000 1.251 351 M HN 0.116 nan 8.290 nan 0.000 0.430 352 V N 3.695 123.679 119.914 0.117 0.000 2.470 352 V HA 0.149 4.269 4.120 -0.000 0.000 0.276 352 V C -0.226 175.945 176.094 0.129 0.000 1.040 352 V CA -0.175 62.157 62.300 0.054 0.000 1.008 352 V CB 0.473 32.285 31.823 -0.019 0.000 0.990 352 V HN 0.499 nan 8.190 nan 0.000 0.477 353 F N 6.767 126.683 119.950 -0.057 0.000 2.391 353 F HA 0.549 5.075 4.527 -0.000 0.000 0.359 353 F C -0.075 175.726 175.800 0.001 0.000 1.122 353 F CA -0.986 57.021 58.000 0.012 0.000 1.120 353 F CB 1.209 40.250 39.000 0.067 0.000 1.142 353 F HN 0.223 nan 8.300 nan 0.000 0.483 354 V N 5.716 125.532 119.914 -0.163 0.000 2.370 354 V HA 0.436 4.556 4.120 -0.000 0.000 0.283 354 V C 0.096 175.936 176.094 -0.422 0.000 1.023 354 V CA -0.500 61.620 62.300 -0.299 0.000 0.857 354 V CB 1.433 33.125 31.823 -0.218 0.000 0.985 354 V HN 0.861 nan 8.190 nan 0.000 0.443 355 T N 1.619 115.949 114.554 -0.373 0.000 2.932 355 T HA 0.486 4.836 4.350 -0.000 0.000 0.289 355 T C -0.188 174.489 174.700 -0.038 0.000 1.039 355 T CA -0.930 61.018 62.100 -0.253 0.000 1.024 355 T CB 1.520 70.238 68.868 -0.250 0.000 1.090 355 T HN 0.453 nan 8.240 nan 0.000 0.496 356 N N 2.277 120.982 118.700 0.010 0.000 2.503 356 N HA 0.216 4.956 4.740 -0.000 0.000 0.267 356 N C -1.764 173.735 175.510 -0.019 0.000 1.214 356 N CA -1.563 51.487 53.050 0.000 0.000 0.959 356 N CB 1.162 39.683 38.487 0.056 0.000 1.142 356 N HN 0.457 nan 8.380 nan 0.000 0.455 357 P HA -0.152 nan 4.420 nan 0.000 0.220 357 P C 0.485 177.808 177.300 0.039 0.000 1.144 357 P CA 1.235 64.315 63.100 -0.034 0.000 0.800 357 P CB 0.127 31.789 31.700 -0.064 0.000 0.772 358 D N -2.177 118.262 120.400 0.066 0.000 2.355 358 D HA 0.069 4.709 4.640 -0.000 0.000 0.218 358 D C 1.458 177.795 176.300 0.061 0.000 1.004 358 D CA 0.818 54.862 54.000 0.072 0.000 0.880 358 D CB -0.807 40.044 40.800 0.084 0.000 0.911 358 D HN 0.216 nan 8.370 nan 0.000 0.528 359 G N -0.184 108.645 108.800 0.049 0.000 2.179 359 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 359 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 359 G C 0.318 175.254 174.900 0.060 0.000 0.990 359 G CA 0.201 45.328 45.100 0.045 0.000 0.646 359 G HN 0.821 nan 8.290 nan 0.000 0.517 360 S N 1.439 117.179 115.700 0.067 0.000 2.580 360 S HA 0.668 5.138 4.470 -0.000 0.000 0.274 360 S C -1.836 172.812 174.600 0.080 0.000 1.329 360 S CA -1.002 57.255 58.200 0.096 0.000 1.036 360 S CB 1.995 65.251 63.200 0.093 0.000 0.919 360 S HN 0.313 nan 8.310 nan 0.000 0.515 361 P HA 0.189 nan 4.420 nan 0.000 0.266 361 P C -0.925 176.457 177.300 0.137 0.000 1.195 361 P CA -0.133 63.064 63.100 0.163 0.000 0.768 361 P CB 0.353 32.230 31.700 0.295 0.000 0.838 362 A N 4.053 126.939 122.820 0.110 0.000 2.322 362 A HA 0.283 4.603 4.320 -0.000 0.000 0.327 362 A C -0.358 177.312 177.584 0.143 0.000 1.394 362 A CA -0.782 51.344 52.037 0.148 0.000 0.921 362 A CB -0.522 18.581 19.000 0.172 0.000 1.153 362 A HN 0.603 nan 8.150 nan 0.000 0.523 363 Y N 2.862 123.200 120.300 0.063 0.000 2.597 363 Y HA 0.238 4.788 4.550 -0.000 0.000 0.336 363 Y C 1.153 177.064 175.900 0.019 0.000 1.216 363 Y CA 0.569 58.695 58.100 0.043 0.000 1.463 363 Y CB 0.249 38.737 38.460 0.046 0.000 1.303 363 Y HN 0.840 nan 8.280 nan 0.000 0.576 364 R N 2.715 122.903 120.500 -0.521 0.000 3.333 364 R HA -0.141 4.199 4.340 -0.000 0.000 0.256 364 R C -1.960 174.140 176.300 -0.333 0.000 1.010 364 R CA 0.563 56.300 56.100 -0.606 0.000 0.680 364 R CB -1.547 28.070 30.300 -1.138 0.000 1.102 364 R HN 0.458 nan 8.270 nan 0.000 0.440 365 V N 2.330 122.099 119.914 -0.243 0.000 2.409 365 V HA 0.404 4.524 4.120 -0.000 0.000 0.291 365 V C -1.711 174.246 176.094 -0.229 0.000 1.020 365 V CA -1.554 60.582 62.300 -0.273 0.000 0.848 365 V CB 1.930 33.502 31.823 -0.420 0.000 0.990 365 V HN 0.178 nan 8.190 nan 0.000 0.430 366 P HA 0.290 nan 4.420 nan 0.000 0.271 366 P C -0.793 176.416 177.300 -0.152 0.000 1.216 366 P CA 0.102 63.115 63.100 -0.145 0.000 0.776 366 P CB 1.472 33.104 31.700 -0.114 0.000 0.881 367 V N -0.838 119.012 119.914 -0.107 0.000 3.007 367 V HA 0.997 5.117 4.120 -0.000 0.000 0.311 367 V C -0.896 175.171 176.094 -0.046 0.000 1.120 367 V CA -1.292 60.956 62.300 -0.087 0.000 0.980 367 V CB 1.636 33.408 31.823 -0.086 0.000 1.033 367 V HN 0.814 nan 8.190 nan 0.000 0.429 368 A N 1.900 124.703 122.820 -0.028 0.000 2.612 368 A HA 0.838 5.158 4.320 -0.000 0.000 0.293 368 A C -0.938 176.654 177.584 0.013 0.000 1.075 368 A CA -0.602 51.430 52.037 -0.007 0.000 0.680 368 A CB 1.731 20.721 19.000 -0.016 0.000 1.279 368 A HN 1.516 nan 8.150 nan 0.000 0.411 369 V N 1.815 121.743 119.914 0.024 0.000 2.686 369 V HA 0.198 4.318 4.120 -0.000 0.000 0.295 369 V C 0.924 177.027 176.094 0.016 0.000 1.055 369 V CA -0.208 62.112 62.300 0.033 0.000 1.050 369 V CB 1.364 33.209 31.823 0.035 0.000 0.984 369 V HN 0.906 nan 8.190 nan 0.000 0.482 370 Q N 2.590 122.400 119.800 0.016 0.000 2.244 370 Q HA 0.293 4.633 4.340 -0.000 0.000 0.278 370 Q C 1.041 177.040 176.000 -0.003 0.000 1.093 370 Q CA 1.021 56.827 55.803 0.005 0.000 0.916 370 Q CB 0.035 28.776 28.738 0.005 0.000 1.159 370 Q HN 1.165 nan 8.270 nan 0.000 0.384 371 G N 3.821 112.618 108.800 -0.005 0.000 2.192 371 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.193 371 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.193 371 G C -0.449 174.449 174.900 -0.004 0.000 0.999 371 G CA -0.066 45.029 45.100 -0.007 0.000 0.659 371 G HN 0.625 nan 8.290 nan 0.000 0.503 372 E N 1.641 121.840 120.200 -0.002 0.000 2.621 372 E HA 0.419 4.769 4.350 -0.000 0.000 0.263 372 E C -1.297 175.301 176.600 -0.005 0.000 1.033 372 E CA -0.925 55.474 56.400 -0.001 0.000 0.778 372 E CB 1.168 30.870 29.700 0.003 0.000 1.426 372 E HN 0.214 nan 8.360 nan 0.000 0.394 373 D N 2.199 122.595 120.400 -0.008 0.000 4.867 373 D HA -0.191 4.449 4.640 -0.000 0.000 0.238 373 D C 0.585 176.881 176.300 -0.008 0.000 1.114 373 D CA 1.844 55.840 54.000 -0.008 0.000 1.283 373 D CB -0.695 40.101 40.800 -0.006 0.000 0.739 373 D HN 0.731 nan 8.370 nan 0.000 0.371 374 T N -1.878 112.670 114.554 -0.010 0.000 12.532 374 T HA -0.339 4.011 4.350 -0.000 0.000 0.419 374 T C 0.965 175.659 174.700 -0.011 0.000 1.444 374 T CA 1.463 63.557 62.100 -0.010 0.000 2.384 374 T CB -0.976 67.887 68.868 -0.008 0.000 2.842 374 T HN 0.516 nan 8.240 nan 0.000 0.787 375 V N 5.049 124.958 119.914 -0.008 0.000 2.456 375 V HA 0.262 4.382 4.120 -0.000 0.000 0.247 375 V C 0.518 176.607 176.094 -0.008 0.000 1.056 375 V CA 1.133 63.429 62.300 -0.006 0.000 1.203 375 V CB -1.104 30.720 31.823 0.000 0.000 1.185 375 V HN 0.715 nan 8.190 nan 0.000 0.477 376 Q N 3.506 123.298 119.800 -0.014 0.000 2.418 376 Q HA 0.811 5.151 4.340 -0.000 0.000 0.282 376 Q C -0.893 175.093 176.000 -0.023 0.000 1.044 376 Q CA -0.848 54.942 55.803 -0.021 0.000 0.813 376 Q CB 2.545 31.265 28.738 -0.030 0.000 1.428 376 Q HN 0.495 nan 8.270 nan 0.000 0.402 377 S N 1.363 117.047 115.700 -0.027 0.000 2.546 377 S HA 0.628 5.098 4.470 -0.000 0.000 0.274 377 S C -0.714 173.860 174.600 -0.043 0.000 1.121 377 S CA -0.925 57.258 58.200 -0.028 0.000 0.887 377 S CB 1.077 64.267 63.200 -0.016 0.000 1.094 377 S HN 0.650 nan 8.310 nan 0.000 0.474 378 L N 2.108 123.303 121.223 -0.047 0.000 2.395 378 L HA 0.419 4.759 4.340 -0.000 0.000 0.269 378 L C 1.100 177.942 176.870 -0.046 0.000 1.133 378 L CA -0.538 54.260 54.840 -0.069 0.000 0.812 378 L CB 1.202 43.211 42.059 -0.083 0.000 1.125 378 L HN 0.810 nan 8.230 nan 0.000 0.452 379 T N 1.812 116.329 114.554 -0.061 0.000 2.913 379 T HA 0.132 4.482 4.350 -0.000 0.000 0.297 379 T C 0.173 174.903 174.700 0.050 0.000 1.029 379 T CA -0.729 61.367 62.100 -0.007 0.000 1.104 379 T CB 0.623 69.480 68.868 -0.019 0.000 0.964 379 T HN 0.421 nan 8.240 nan 0.000 0.532 380 Q N 1.980 121.842 119.800 0.103 0.000 2.308 380 Q HA 0.311 4.651 4.340 -0.000 0.000 0.207 380 Q C 1.823 177.971 176.000 0.247 0.000 1.035 380 Q CA -0.019 55.879 55.803 0.158 0.000 1.008 380 Q CB -0.169 28.625 28.738 0.095 0.000 1.168 380 Q HN 0.909 nan 8.270 nan 0.000 0.565 381 G N 0.838 109.765 108.800 0.212 0.000 2.450 381 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 381 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 381 G C 0.619 175.595 174.900 0.126 0.000 1.130 381 G CA 1.270 46.444 45.100 0.123 0.000 0.760 381 G HN 0.706 nan 8.290 nan 0.000 0.557 382 D N -0.683 119.788 120.400 0.118 0.000 2.349 382 D HA 0.222 4.862 4.640 -0.000 0.000 0.224 382 D C 1.672 178.128 176.300 0.260 0.000 1.029 382 D CA 0.486 54.566 54.000 0.133 0.000 0.879 382 D CB -0.658 40.173 40.800 0.053 0.000 0.906 382 D HN 0.480 nan 8.370 nan 0.000 0.528 383 G N -0.616 108.342 108.800 0.264 0.000 2.143 383 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.248 383 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.248 383 G C -0.071 175.048 174.900 0.364 0.000 0.991 383 G CA 0.292 45.580 45.100 0.313 0.000 0.689 383 G HN 0.410 nan 8.290 nan 0.000 0.522 384 V N 0.367 120.426 119.914 0.242 0.000 2.409 384 V HA 0.823 4.943 4.120 -0.000 0.000 0.291 384 V C 0.538 176.690 176.094 0.097 0.000 1.020 384 V CA -0.307 62.104 62.300 0.185 0.000 0.848 384 V CB 1.510 33.405 31.823 0.120 0.000 0.990 384 V HN 1.089 nan 8.190 nan 0.000 0.430 385 A N 4.516 127.378 122.820 0.071 0.000 2.325 385 A HA 0.777 5.097 4.320 -0.000 0.000 0.333 385 A C -0.329 177.275 177.584 0.032 0.000 1.155 385 A CA -0.735 51.322 52.037 0.033 0.000 0.814 385 A CB 1.141 20.143 19.000 0.004 0.000 1.206 385 A HN 0.776 nan 8.150 nan 0.000 0.482 386 K N 1.847 122.257 120.400 0.017 0.000 2.185 386 K HA 0.700 5.020 4.320 -0.000 0.000 0.269 386 K C -1.491 175.112 176.600 0.006 0.000 0.987 386 K CA -0.286 56.006 56.287 0.009 0.000 0.865 386 K CB 0.583 33.080 32.500 -0.004 0.000 1.090 386 K HN 0.668 nan 8.250 nan 0.000 0.450 387 L N 2.205 123.434 121.223 0.010 0.000 2.371 387 L HA 0.524 4.864 4.340 -0.000 0.000 0.262 387 L C -0.891 175.980 176.870 0.002 0.000 1.006 387 L CA -0.988 53.860 54.840 0.014 0.000 0.818 387 L CB 2.408 44.489 42.059 0.037 0.000 1.354 387 L HN 0.742 nan 8.230 nan 0.000 0.415 388 S N 1.202 116.906 115.700 0.007 0.000 2.575 388 S HA 0.780 5.250 4.470 -0.000 0.000 0.278 388 S C -0.871 173.749 174.600 0.033 0.000 1.139 388 S CA -0.751 57.453 58.200 0.007 0.000 0.954 388 S CB 1.517 64.704 63.200 -0.022 0.000 1.054 388 S HN 0.450 nan 8.310 nan 0.000 0.483 389 I N 1.659 122.276 120.570 0.078 0.000 2.525 389 I HA 0.462 4.632 4.170 -0.000 0.000 0.301 389 I C -0.446 175.702 176.117 0.051 0.000 0.992 389 I CA -1.115 60.223 61.300 0.063 0.000 1.162 389 I CB 1.055 39.097 38.000 0.070 0.000 1.332 389 I HN 0.472 nan 8.210 nan 0.000 0.458 390 N N 2.971 121.678 118.700 0.012 0.000 2.488 390 N HA 0.235 4.975 4.740 -0.000 0.000 0.274 390 N C -0.241 175.265 175.510 -0.007 0.000 1.111 390 N CA -0.178 52.860 53.050 -0.021 0.000 0.974 390 N CB 1.299 39.745 38.487 -0.069 0.000 1.089 390 N HN 0.762 nan 8.380 nan 0.000 0.465 391 T N -0.772 113.782 114.554 0.001 0.000 2.859 391 T HA 0.290 4.640 4.350 -0.000 0.000 0.281 391 T C -0.068 174.658 174.700 0.044 0.000 1.005 391 T CA -0.757 61.369 62.100 0.043 0.000 1.025 391 T CB 0.835 69.744 68.868 0.068 0.000 0.977 391 T HN 0.348 nan 8.240 nan 0.000 0.458 392 H N 3.054 122.133 119.070 0.015 0.000 2.582 392 H HA 0.183 4.739 4.556 -0.000 0.000 0.345 392 H C -1.676 173.696 175.328 0.074 0.000 1.104 392 H CA -1.701 54.366 56.048 0.032 0.000 1.390 392 H CB 1.439 31.208 29.762 0.013 0.000 1.461 392 H HN 0.520 nan 8.280 nan 0.000 0.551 393 P HA -0.113 nan 4.420 nan 0.000 0.240 393 P C 0.275 177.653 177.300 0.130 0.000 1.186 393 P CA 0.531 63.694 63.100 0.106 0.000 0.755 393 P CB 0.033 31.778 31.700 0.075 0.000 0.870 394 S N -1.031 114.762 115.700 0.154 0.000 2.645 394 S HA 0.169 4.639 4.470 -0.000 0.000 0.266 394 S C 0.908 175.603 174.600 0.159 0.000 1.258 394 S CA -0.639 57.641 58.200 0.132 0.000 0.990 394 S CB 0.695 63.958 63.200 0.105 0.000 0.967 394 S HN -0.041 nan 8.310 nan 0.000 0.556 395 Q N 0.083 119.957 119.800 0.123 0.000 2.282 395 Q HA 0.151 4.491 4.340 -0.000 0.000 0.205 395 Q C -0.169 175.926 176.000 0.159 0.000 0.915 395 Q CA 0.151 56.026 55.803 0.120 0.000 0.949 395 Q CB -0.153 28.629 28.738 0.073 0.000 1.035 395 Q HN 0.597 nan 8.270 nan 0.000 0.484 396 K N 2.578 123.081 120.400 0.172 0.000 2.338 396 K HA 0.168 4.488 4.320 -0.000 0.000 0.290 396 K C -2.401 174.293 176.600 0.158 0.000 1.069 396 K CA -1.689 54.670 56.287 0.120 0.000 0.941 396 K CB 0.570 33.102 32.500 0.054 0.000 1.023 396 K HN -0.116 nan 8.250 nan 0.000 0.477 397 P HA -0.090 nan 4.420 nan 0.000 0.262 397 P C -0.590 176.636 177.300 -0.124 0.000 1.182 397 P CA 0.194 63.352 63.100 0.097 0.000 0.761 397 P CB 0.421 32.150 31.700 0.049 0.000 0.795 398 L N 2.680 123.677 121.223 -0.377 0.000 2.319 398 L HA 0.186 4.526 4.340 -0.000 0.000 0.280 398 L C 0.659 177.314 176.870 -0.358 0.000 1.099 398 L CA 0.215 54.727 54.840 -0.546 0.000 0.828 398 L CB 0.710 42.145 42.059 -1.040 0.000 1.150 398 L HN 0.349 nan 8.230 nan 0.000 0.442 399 S N 5.370 120.912 115.700 -0.264 0.000 2.577 399 S HA 0.537 5.007 4.470 -0.000 0.000 0.294 399 S C -0.404 174.089 174.600 -0.179 0.000 1.161 399 S CA -0.580 57.502 58.200 -0.197 0.000 1.143 399 S CB 0.015 63.136 63.200 -0.132 0.000 0.991 399 S HN 0.385 nan 8.310 nan 0.000 0.475 400 I N 3.764 124.208 120.570 -0.210 0.000 2.359 400 I HA 0.383 4.553 4.170 -0.000 0.000 0.294 400 I C 0.061 176.125 176.117 -0.087 0.000 0.987 400 I CA -0.450 60.760 61.300 -0.150 0.000 1.225 400 I CB 1.944 39.847 38.000 -0.162 0.000 1.366 400 I HN 0.320 nan 8.210 nan 0.000 0.466 401 T N 5.533 120.087 114.554 -0.001 0.000 2.792 401 T HA 0.541 4.891 4.350 -0.000 0.000 0.280 401 T C -0.292 174.477 174.700 0.114 0.000 0.990 401 T CA -0.537 61.606 62.100 0.072 0.000 0.960 401 T CB 1.762 70.650 68.868 0.033 0.000 0.939 401 T HN 0.216 nan 8.240 nan 0.000 0.439 402 V N 4.296 124.329 119.914 0.198 0.000 2.495 402 V HA 0.561 4.681 4.120 -0.000 0.000 0.298 402 V C -0.001 176.116 176.094 0.039 0.000 1.031 402 V CA -1.044 61.338 62.300 0.135 0.000 0.871 402 V CB 1.762 33.711 31.823 0.211 0.000 0.988 402 V HN 0.741 nan 8.190 nan 0.000 0.432 403 R N 1.689 122.189 120.500 -0.001 0.000 2.664 403 R HA 0.593 4.933 4.340 -0.000 0.000 0.286 403 R C -0.350 175.908 176.300 -0.071 0.000 0.967 403 R CA -0.751 55.326 56.100 -0.039 0.000 0.933 403 R CB 1.595 31.879 30.300 -0.027 0.000 1.146 403 R HN 0.807 nan 8.270 nan 0.000 0.468 404 T N 2.790 117.271 114.554 -0.121 0.000 1.525 404 T HA -0.175 4.175 4.350 -0.000 0.000 0.707 404 T C 0.060 174.705 174.700 -0.092 0.000 0.997 404 T CA 0.848 62.863 62.100 -0.141 0.000 3.716 404 T CB -0.336 68.432 68.868 -0.167 0.000 1.813 404 T HN 0.515 nan 8.240 nan 0.000 0.351 405 K N 1.839 122.179 120.400 -0.100 0.000 3.271 405 K HA 0.145 4.465 4.320 -0.000 0.000 0.192 405 K C 0.115 176.672 176.600 -0.072 0.000 1.108 405 K CA -0.585 55.662 56.287 -0.068 0.000 0.902 405 K CB 0.884 33.351 32.500 -0.055 0.000 0.889 405 K HN 0.399 nan 8.250 nan 0.000 0.520 406 K N 1.994 122.350 120.400 -0.074 0.000 2.284 406 K HA 0.156 4.476 4.320 -0.000 0.000 0.287 406 K C -0.013 176.575 176.600 -0.019 0.000 1.081 406 K CA -0.071 56.182 56.287 -0.057 0.000 0.910 406 K CB 0.702 33.176 32.500 -0.044 0.000 1.088 406 K HN 0.334 nan 8.250 nan 0.000 0.478 407 Q N 2.179 121.965 119.800 -0.023 0.000 2.395 407 Q HA -0.084 4.256 4.340 -0.000 0.000 0.271 407 Q C -0.080 175.920 176.000 -0.001 0.000 1.026 407 Q CA 1.041 56.836 55.803 -0.013 0.000 0.900 407 Q CB 0.547 29.275 28.738 -0.017 0.000 1.266 407 Q HN 0.677 nan 8.270 nan 0.000 0.430 408 E N -0.845 119.356 120.200 0.001 0.000 4.229 408 E HA -0.202 4.148 4.350 -0.000 0.000 0.250 408 E C -1.004 175.598 176.600 0.004 0.000 0.673 408 E CA 0.335 56.739 56.400 0.007 0.000 2.335 408 E CB -0.721 28.987 29.700 0.014 0.000 1.684 408 E HN 0.290 nan 8.360 nan 0.000 0.598 409 L N 1.437 122.663 121.223 0.004 0.000 2.375 409 L HA 0.434 4.774 4.340 -0.000 0.000 0.268 409 L C 1.138 178.003 176.870 -0.008 0.000 1.058 409 L CA 0.467 55.301 54.840 -0.010 0.000 0.803 409 L CB 1.281 43.338 42.059 -0.003 0.000 1.212 409 L HN 0.249 nan 8.230 nan 0.000 0.451 410 S N 0.744 116.437 115.700 -0.011 0.000 2.562 410 S HA 0.194 4.664 4.470 -0.000 0.000 0.256 410 S C 0.689 175.286 174.600 -0.006 0.000 1.248 410 S CA -0.236 57.962 58.200 -0.003 0.000 0.988 410 S CB 0.365 63.571 63.200 0.010 0.000 1.035 410 S HN 0.594 nan 8.310 nan 0.000 0.548 411 E N 0.050 120.248 120.200 -0.003 0.000 2.340 411 E HA 0.230 4.580 4.350 -0.000 0.000 0.198 411 E C 2.083 178.684 176.600 0.002 0.000 0.961 411 E CA 0.842 57.240 56.400 -0.004 0.000 0.905 411 E CB -0.609 29.087 29.700 -0.007 0.000 0.884 411 E HN 0.702 nan 8.360 nan 0.000 0.491 412 A N 1.236 124.064 122.820 0.013 0.000 2.066 412 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 412 A C 1.811 179.423 177.584 0.048 0.000 1.157 412 A CA 0.965 53.023 52.037 0.036 0.000 0.670 412 A CB -0.238 18.790 19.000 0.046 0.000 0.804 412 A HN 0.098 nan 8.150 nan 0.000 0.453 413 E N -0.219 119.989 120.200 0.013 0.000 2.478 413 E HA -0.005 4.345 4.350 -0.000 0.000 0.194 413 E C 0.063 176.632 176.600 -0.051 0.000 1.045 413 E CA -0.149 56.215 56.400 -0.060 0.000 0.868 413 E CB 0.142 29.757 29.700 -0.143 0.000 0.885 413 E HN 0.540 nan 8.360 nan 0.000 0.505 414 Q N 0.357 120.149 119.800 -0.014 0.000 2.340 414 Q HA 0.315 4.654 4.340 -0.000 0.000 0.249 414 Q C -0.246 175.747 176.000 -0.012 0.000 0.957 414 Q CA -0.079 55.722 55.803 -0.002 0.000 0.882 414 Q CB 1.321 30.050 28.738 -0.014 0.000 1.235 414 Q HN 0.082 nan 8.270 nan 0.000 0.439 415 A N 1.557 124.370 122.820 -0.013 0.000 2.302 415 A HA 0.603 4.923 4.320 -0.000 0.000 0.285 415 A C -0.046 177.503 177.584 -0.058 0.000 1.105 415 A CA -0.207 51.804 52.037 -0.044 0.000 0.816 415 A CB 1.111 20.079 19.000 -0.053 0.000 1.067 415 A HN 0.597 nan 8.150 nan 0.000 0.489 416 T N 0.120 114.640 114.554 -0.057 0.000 2.993 416 T HA 0.632 4.982 4.350 -0.000 0.000 0.312 416 T C -0.977 173.705 174.700 -0.030 0.000 1.115 416 T CA -0.567 61.513 62.100 -0.034 0.000 1.027 416 T CB 0.988 69.852 68.868 -0.007 0.000 1.116 416 T HN 0.925 nan 8.240 nan 0.000 0.464 417 R N 1.798 122.308 120.500 0.016 0.000 2.698 417 R HA 0.713 5.053 4.340 -0.000 0.000 0.275 417 R C -1.266 175.234 176.300 0.332 0.000 1.001 417 R CA -0.446 55.722 56.100 0.113 0.000 0.896 417 R CB 2.272 32.563 30.300 -0.015 0.000 1.218 417 R HN 0.635 nan 8.270 nan 0.000 0.462 418 T N 3.767 118.487 114.554 0.277 0.000 2.856 418 T HA 0.725 5.075 4.350 -0.000 0.000 0.283 418 T C -0.823 173.901 174.700 0.041 0.000 1.008 418 T CA -0.656 61.533 62.100 0.148 0.000 0.997 418 T CB 0.529 69.423 68.868 0.044 0.000 0.992 418 T HN 0.611 nan 8.240 nan 0.000 0.454 419 M N 2.793 122.219 119.600 -0.289 0.000 2.593 419 M HA 0.637 5.117 4.480 -0.000 0.000 0.290 419 M C -1.254 174.853 176.300 -0.322 0.000 1.244 419 M CA -0.985 54.066 55.300 -0.414 0.000 0.857 419 M CB 2.324 34.341 32.600 -0.973 0.000 1.738 419 M HN 0.440 nan 8.290 nan 0.000 0.461 420 Q N 1.442 121.099 119.800 -0.240 0.000 2.345 420 Q HA 0.867 5.207 4.340 -0.000 0.000 0.268 420 Q C -1.973 173.894 176.000 -0.222 0.000 1.054 420 Q CA -0.737 54.941 55.803 -0.208 0.000 0.835 420 Q CB 2.543 31.203 28.738 -0.131 0.000 1.339 420 Q HN 1.002 nan 8.270 nan 0.000 0.447 421 A N 3.878 126.556 122.820 -0.236 0.000 2.435 421 A HA 0.704 5.024 4.320 -0.000 0.000 0.304 421 A C -1.363 176.273 177.584 0.085 0.000 1.064 421 A CA -0.691 51.243 52.037 -0.172 0.000 0.727 421 A CB 1.151 19.940 19.000 -0.351 0.000 1.284 421 A HN 0.732 nan 8.150 nan 0.000 0.415 422 L N 2.389 123.686 121.223 0.124 0.000 2.334 422 L HA 0.541 4.881 4.340 -0.000 0.000 0.272 422 L C -2.205 174.816 176.870 0.253 0.000 1.020 422 L CA -2.273 52.731 54.840 0.273 0.000 0.812 422 L CB 2.214 44.419 42.059 0.244 0.000 1.264 422 L HN 0.481 nan 8.230 nan 0.000 0.439 423 P HA 0.009 nan 4.420 nan 0.000 0.280 423 P C -1.130 176.123 177.300 -0.078 0.000 1.244 423 P CA -0.250 62.547 63.100 -0.506 0.000 0.784 423 P CB 0.471 31.914 31.700 -0.429 0.000 0.913 424 Y N 3.327 123.539 120.300 -0.148 0.000 2.650 424 Y HA 0.096 4.646 4.550 -0.000 0.000 0.331 424 Y C 0.699 176.585 175.900 -0.023 0.000 1.165 424 Y CA 0.231 58.293 58.100 -0.063 0.000 1.473 424 Y CB 0.350 38.837 38.460 0.046 0.000 1.224 424 Y HN 0.379 nan 8.280 nan 0.000 0.533 425 S N 5.412 120.874 115.700 -0.398 0.000 2.513 425 S HA 0.415 4.885 4.470 -0.000 0.000 0.276 425 S C 0.034 174.390 174.600 -0.408 0.000 1.254 425 S CA -0.269 57.763 58.200 -0.279 0.000 1.053 425 S CB 0.473 63.543 63.200 -0.217 0.000 0.958 425 S HN 0.859 nan 8.310 nan 0.000 0.491 426 T N 0.851 115.295 114.554 -0.184 0.000 2.881 426 T HA 0.521 4.871 4.350 -0.000 0.000 0.278 426 T C 0.029 174.667 174.700 -0.104 0.000 0.982 426 T CA -0.924 61.087 62.100 -0.149 0.000 0.989 426 T CB 0.645 69.392 68.868 -0.202 0.000 1.058 426 T HN 0.560 nan 8.240 nan 0.000 0.529 427 V N 1.847 121.720 119.914 -0.068 0.000 2.397 427 V HA 0.465 4.585 4.120 -0.000 0.000 0.262 427 V C 1.589 177.656 176.094 -0.046 0.000 1.047 427 V CA 0.439 62.715 62.300 -0.040 0.000 1.003 427 V CB -0.525 31.276 31.823 -0.038 0.000 1.037 427 V HN 1.417 nan 8.190 nan 0.000 0.480 428 G N 4.831 113.610 108.800 -0.034 0.000 2.273 428 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.280 428 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.280 428 G C 0.374 175.259 174.900 -0.025 0.000 1.047 428 G CA 0.443 45.527 45.100 -0.027 0.000 0.869 428 G HN 1.064 nan 8.290 nan 0.000 0.502 429 N N -1.732 116.952 118.700 -0.028 0.000 2.725 429 N HA -0.234 4.505 4.740 -0.000 0.000 0.249 429 N C 1.601 177.104 175.510 -0.011 0.000 1.103 429 N CA 2.019 55.062 53.050 -0.013 0.000 0.707 429 N CB -1.170 37.319 38.487 0.005 0.000 1.043 429 N HN 1.283 nan 8.380 nan 0.000 0.553 430 S N -0.369 115.307 115.700 -0.040 0.000 2.515 430 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 430 S C 0.725 175.310 174.600 -0.026 0.000 0.987 430 S CA 0.625 58.802 58.200 -0.037 0.000 0.936 430 S CB 0.077 63.238 63.200 -0.065 0.000 0.766 430 S HN 0.411 nan 8.310 nan 0.000 0.528 431 N N 1.835 120.502 118.700 -0.055 0.000 2.740 431 N HA -0.119 4.621 4.740 -0.000 0.000 0.248 431 N C -1.569 173.888 175.510 -0.088 0.000 1.062 431 N CA 0.870 53.918 53.050 -0.003 0.000 0.704 431 N CB -2.071 36.526 38.487 0.184 0.000 0.968 431 N HN 0.529 nan 8.380 nan 0.000 0.547 432 N N 0.483 118.993 118.700 -0.318 0.000 2.424 432 N HA 0.488 5.228 4.740 -0.000 0.000 0.271 432 N C -0.460 174.852 175.510 -0.330 0.000 0.985 432 N CA -0.067 52.895 53.050 -0.145 0.000 0.921 432 N CB 0.684 39.168 38.487 -0.004 0.000 1.149 432 N HN 0.152 nan 8.380 nan 0.000 0.492 433 Y N 0.501 120.901 120.300 0.167 0.000 2.665 433 Y HA 0.689 5.239 4.550 -0.000 0.000 0.336 433 Y C -0.647 175.357 175.900 0.174 0.000 1.085 433 Y CA -1.186 56.949 58.100 0.059 0.000 1.096 433 Y CB 1.637 40.111 38.460 0.023 0.000 1.301 433 Y HN 0.267 nan 8.280 nan 0.000 0.493 434 L N 1.225 122.584 121.223 0.226 0.000 2.543 434 L HA 0.479 4.819 4.340 -0.000 0.000 0.265 434 L C -2.058 174.856 176.870 0.074 0.000 0.945 434 L CA -0.377 54.595 54.840 0.219 0.000 0.869 434 L CB 1.692 43.919 42.059 0.280 0.000 1.294 434 L HN 0.783 nan 8.230 nan 0.000 0.405 435 H N 4.442 123.492 119.070 -0.033 0.000 2.658 435 H HA 0.724 5.280 4.556 -0.000 0.000 0.337 435 H C -1.489 173.739 175.328 -0.167 0.000 1.009 435 H CA -0.482 55.514 56.048 -0.086 0.000 1.231 435 H CB 1.218 30.951 29.762 -0.048 0.000 1.508 435 H HN 0.674 nan 8.280 nan 0.000 0.517 436 L N 4.428 125.325 121.223 -0.544 0.000 2.307 436 L HA 0.509 4.848 4.340 -0.000 0.000 0.282 436 L C 0.024 176.651 176.870 -0.405 0.000 1.051 436 L CA -0.638 53.908 54.840 -0.489 0.000 0.804 436 L CB 1.485 43.229 42.059 -0.525 0.000 1.197 436 L HN 0.674 nan 8.230 nan 0.000 0.431 437 S N 1.901 117.489 115.700 -0.186 0.000 2.632 437 S HA 0.886 5.356 4.470 -0.000 0.000 0.289 437 S C -0.935 173.610 174.600 -0.091 0.000 1.115 437 S CA -0.748 57.405 58.200 -0.077 0.000 0.889 437 S CB 2.494 65.735 63.200 0.070 0.000 1.116 437 S HN 0.294 nan 8.310 nan 0.000 0.486 438 V N 1.052 120.925 119.914 -0.068 0.000 3.087 438 V HA 0.481 4.601 4.120 -0.000 0.000 0.306 438 V C -1.149 174.916 176.094 -0.049 0.000 1.187 438 V CA -0.835 61.426 62.300 -0.065 0.000 0.999 438 V CB 2.066 33.835 31.823 -0.089 0.000 1.049 438 V HN 0.960 nan 8.190 nan 0.000 0.431 439 L N 2.866 124.064 121.223 -0.042 0.000 2.417 439 L HA 0.473 4.813 4.340 -0.000 0.000 0.268 439 L C 0.541 177.388 176.870 -0.040 0.000 1.158 439 L CA 0.039 54.858 54.840 -0.034 0.000 0.819 439 L CB 0.434 42.477 42.059 -0.027 0.000 1.112 439 L HN 0.529 nan 8.230 nan 0.000 0.458 440 R N 1.942 122.425 120.500 -0.028 0.000 2.429 440 R HA 0.388 4.728 4.340 -0.000 0.000 0.302 440 R C -1.341 174.948 176.300 -0.019 0.000 1.268 440 R CA -0.075 56.010 56.100 -0.024 0.000 1.090 440 R CB -0.686 29.607 30.300 -0.011 0.000 1.102 440 R HN 0.745 nan 8.270 nan 0.000 0.522 441 T N 0.162 114.697 114.554 -0.031 0.000 3.012 441 T HA 0.267 4.617 4.350 -0.000 0.000 0.330 441 T C -0.738 173.937 174.700 -0.042 0.000 1.321 441 T CA -1.050 61.034 62.100 -0.026 0.000 1.067 441 T CB 1.269 70.122 68.868 -0.026 0.000 1.235 441 T HN 0.326 nan 8.240 nan 0.000 0.479 442 E N 1.536 121.716 120.200 -0.033 0.000 2.406 442 E HA 0.121 4.471 4.350 -0.000 0.000 0.258 442 E C -0.615 175.949 176.600 -0.059 0.000 1.043 442 E CA -0.021 56.350 56.400 -0.048 0.000 0.929 442 E CB 0.692 30.371 29.700 -0.035 0.000 0.969 442 E HN 0.433 nan 8.360 nan 0.000 0.462 443 L N 4.782 125.958 121.223 -0.079 0.000 2.289 443 L HA 0.329 4.669 4.340 -0.000 0.000 0.285 443 L C 0.062 176.886 176.870 -0.077 0.000 1.049 443 L CA -0.340 54.454 54.840 -0.077 0.000 0.804 443 L CB 0.577 42.588 42.059 -0.079 0.000 1.195 443 L HN 0.409 nan 8.230 nan 0.000 0.428 444 R N 4.745 125.201 120.500 -0.073 0.000 2.854 444 R HA 0.558 4.898 4.340 -0.000 0.000 0.271 444 R C -2.578 173.673 176.300 -0.082 0.000 0.996 444 R CA -2.037 54.021 56.100 -0.071 0.000 0.961 444 R CB 1.082 31.348 30.300 -0.057 0.000 1.182 444 R HN 0.387 nan 8.270 nan 0.000 0.479 445 P HA -0.013 nan 4.420 nan 0.000 0.269 445 P C 0.510 177.768 177.300 -0.070 0.000 1.215 445 P CA 0.582 63.635 63.100 -0.078 0.000 0.780 445 P CB 0.758 32.437 31.700 -0.035 0.000 0.898 446 G N 0.780 109.531 108.800 -0.081 0.000 2.258 446 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.233 446 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.233 446 G C 0.081 174.934 174.900 -0.079 0.000 1.006 446 G CA -0.147 44.914 45.100 -0.065 0.000 0.620 446 G HN 0.576 nan 8.290 nan 0.000 0.511 447 E N 0.606 120.747 120.200 -0.099 0.000 2.349 447 E HA 0.554 4.904 4.350 -0.000 0.000 0.262 447 E C -0.281 176.246 176.600 -0.122 0.000 1.088 447 E CA 0.015 56.357 56.400 -0.097 0.000 0.899 447 E CB 0.901 30.547 29.700 -0.089 0.000 1.044 447 E HN 0.072 nan 8.360 nan 0.000 0.420 448 T N 1.704 116.201 114.554 -0.095 0.000 2.795 448 T HA 0.409 4.759 4.350 -0.000 0.000 0.282 448 T C -1.095 173.553 174.700 -0.087 0.000 0.980 448 T CA -0.527 61.515 62.100 -0.096 0.000 1.012 448 T CB 0.451 69.280 68.868 -0.065 0.000 0.936 448 T HN 0.142 nan 8.240 nan 0.000 0.457 449 L N 4.795 125.960 121.223 -0.097 0.000 2.356 449 L HA 0.545 4.885 4.340 -0.000 0.000 0.277 449 L C -0.760 176.084 176.870 -0.044 0.000 0.996 449 L CA -0.554 54.245 54.840 -0.067 0.000 0.822 449 L CB 1.326 43.347 42.059 -0.063 0.000 1.256 449 L HN 0.424 nan 8.230 nan 0.000 0.413 450 N N 4.583 123.266 118.700 -0.029 0.000 2.420 450 N HA 0.256 4.996 4.740 -0.000 0.000 0.249 450 N C -0.947 174.558 175.510 -0.009 0.000 1.033 450 N CA -0.228 52.814 53.050 -0.013 0.000 0.944 450 N CB 1.792 40.275 38.487 -0.008 0.000 1.113 450 N HN 0.362 nan 8.380 nan 0.000 0.502 451 V N 3.299 123.217 119.914 0.006 0.000 2.385 451 V HA 0.166 4.286 4.120 -0.000 0.000 0.269 451 V C 0.558 176.666 176.094 0.024 0.000 1.043 451 V CA -0.754 61.531 62.300 -0.025 0.000 0.906 451 V CB 0.482 32.276 31.823 -0.047 0.000 0.995 451 V HN 0.503 nan 8.190 nan 0.000 0.467 452 N N 5.004 123.676 118.700 -0.047 0.000 2.422 452 N HA 0.350 5.090 4.740 -0.000 0.000 0.264 452 N C -1.013 174.440 175.510 -0.095 0.000 1.063 452 N CA -0.153 52.904 53.050 0.012 0.000 0.959 452 N CB 1.103 39.594 38.487 0.008 0.000 1.087 452 N HN 0.494 nan 8.380 nan 0.000 0.483 453 F N 2.529 122.392 119.950 -0.146 0.000 2.350 453 F HA 0.245 4.772 4.527 -0.000 0.000 0.365 453 F C 0.221 175.914 175.800 -0.178 0.000 1.122 453 F CA -0.944 56.886 58.000 -0.283 0.000 1.139 453 F CB 0.752 39.404 39.000 -0.580 0.000 1.220 453 F HN 0.247 nan 8.300 nan 0.000 0.499 454 L N 5.518 126.755 121.223 0.023 0.000 2.282 454 L HA 0.539 4.879 4.340 -0.000 0.000 0.288 454 L C -0.971 175.960 176.870 0.101 0.000 1.033 454 L CA -0.685 54.199 54.840 0.073 0.000 0.807 454 L CB 0.911 43.016 42.059 0.077 0.000 1.209 454 L HN 0.503 nan 8.230 nan 0.000 0.423 455 L N 5.156 126.455 121.223 0.127 0.000 2.379 455 L HA 0.687 5.027 4.340 -0.000 0.000 0.269 455 L C -0.602 176.352 176.870 0.140 0.000 1.084 455 L CA -0.116 54.817 54.840 0.154 0.000 0.802 455 L CB 1.096 43.228 42.059 0.122 0.000 1.175 455 L HN 0.789 nan 8.230 nan 0.000 0.448 456 R N 4.677 125.291 120.500 0.190 0.000 2.810 456 R HA 0.646 4.986 4.340 -0.000 0.000 0.280 456 R C -1.880 174.557 176.300 0.230 0.000 1.517 456 R CA -0.390 55.829 56.100 0.198 0.000 1.063 456 R CB 0.515 30.953 30.300 0.229 0.000 1.275 456 R HN 0.747 nan 8.270 nan 0.000 0.464 457 M N 0.587 120.279 119.600 0.154 0.000 2.643 457 M HA 0.470 4.950 4.480 -0.000 0.000 0.276 457 M C -1.314 175.049 176.300 0.106 0.000 1.200 457 M CA -1.057 54.327 55.300 0.141 0.000 0.863 457 M CB 1.680 34.365 32.600 0.141 0.000 1.711 457 M HN 0.339 nan 8.290 nan 0.000 0.492 458 D N 1.595 122.062 120.400 0.112 0.000 2.478 458 D HA -0.012 4.628 4.640 -0.000 0.000 0.234 458 D C 0.649 176.995 176.300 0.078 0.000 1.154 458 D CA 0.045 54.104 54.000 0.098 0.000 0.874 458 D CB 0.807 41.677 40.800 0.117 0.000 1.198 458 D HN 0.902 nan 8.370 nan 0.000 0.455 459 R N 1.522 122.047 120.500 0.043 0.000 2.193 459 R HA -0.034 4.306 4.340 -0.000 0.000 0.229 459 R C 1.841 178.128 176.300 -0.021 0.000 1.110 459 R CA 1.113 57.220 56.100 0.011 0.000 0.988 459 R CB -0.565 29.736 30.300 0.002 0.000 0.871 459 R HN 0.419 nan 8.270 nan 0.000 0.458 460 A N 0.841 123.641 122.820 -0.034 0.000 2.172 460 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 460 A C 1.066 178.411 177.584 -0.398 0.000 1.154 460 A CA 0.966 52.896 52.037 -0.179 0.000 0.701 460 A CB -0.354 18.545 19.000 -0.168 0.000 0.789 460 A HN 0.491 nan 8.150 nan 0.000 0.465 461 H N -2.064 116.999 119.070 -0.011 0.000 3.771 461 H HA 0.022 4.577 4.556 -0.000 0.000 0.260 461 H C 1.680 176.983 175.328 -0.042 0.000 1.158 461 H CA 0.821 56.858 56.048 -0.020 0.000 1.170 461 H CB 0.243 30.001 29.762 -0.007 0.000 1.539 461 H HN 0.767 nan 8.280 nan 0.000 0.634 462 E N 1.731 121.957 120.200 0.043 0.000 2.209 462 E HA -0.085 4.265 4.350 -0.000 0.000 0.196 462 E C 2.051 178.610 176.600 -0.069 0.000 0.993 462 E CA 1.329 57.714 56.400 -0.025 0.000 0.819 462 E CB -0.196 29.491 29.700 -0.021 0.000 0.745 462 E HN 0.216 nan 8.360 nan 0.000 0.477 463 A N 0.844 123.632 122.820 -0.054 0.000 2.125 463 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 463 A C 2.130 179.668 177.584 -0.076 0.000 1.156 463 A CA 1.449 53.448 52.037 -0.064 0.000 0.671 463 A CB -0.548 18.421 19.000 -0.052 0.000 0.794 463 A HN 0.249 nan 8.150 nan 0.000 0.459 464 K N -0.305 120.052 120.400 -0.072 0.000 2.305 464 K HA 0.055 4.375 4.320 -0.000 0.000 0.199 464 K C -0.095 176.399 176.600 -0.176 0.000 1.047 464 K CA 0.124 56.360 56.287 -0.085 0.000 0.976 464 K CB -0.001 32.479 32.500 -0.033 0.000 0.765 464 K HN 0.339 nan 8.250 nan 0.000 0.474 465 I N 3.340 123.770 120.570 -0.235 0.000 2.455 465 I HA 0.005 4.175 4.170 -0.000 0.000 0.303 465 I C 0.750 176.609 176.117 -0.430 0.000 1.180 465 I CA 0.410 61.462 61.300 -0.412 0.000 1.469 465 I CB 0.233 37.914 38.000 -0.531 0.000 1.480 465 I HN 0.074 nan 8.210 nan 0.000 0.669 466 R N 4.783 125.014 120.500 -0.448 0.000 2.210 466 R HA 0.088 4.428 4.340 -0.000 0.000 0.203 466 R C -0.241 175.956 176.300 -0.172 0.000 1.010 466 R CA 0.552 56.508 56.100 -0.240 0.000 1.008 466 R CB -0.247 30.036 30.300 -0.029 0.000 0.923 466 R HN 0.652 nan 8.270 nan 0.000 0.469 467 Y N -3.655 116.473 120.300 -0.287 0.000 2.604 467 Y HA 0.523 5.073 4.550 -0.000 0.000 0.331 467 Y C -1.357 174.323 175.900 -0.366 0.000 1.158 467 Y CA -2.260 55.680 58.100 -0.268 0.000 1.056 467 Y CB 0.313 38.723 38.460 -0.084 0.000 1.330 467 Y HN -0.219 nan 8.280 nan 0.000 0.457 468 Y N 0.644 121.016 120.300 0.120 0.000 2.360 468 Y HA 0.649 5.199 4.550 -0.000 0.000 0.337 468 Y C 0.056 176.092 175.900 0.226 0.000 1.039 468 Y CA -1.004 57.178 58.100 0.136 0.000 1.109 468 Y CB 2.304 40.817 38.460 0.088 0.000 1.201 468 Y HN 0.678 nan 8.280 nan 0.000 0.458 469 T N 3.750 118.472 114.554 0.280 0.000 2.837 469 T HA 0.483 4.833 4.350 -0.000 0.000 0.285 469 T C -1.103 173.857 174.700 0.434 0.000 0.984 469 T CA -0.639 61.598 62.100 0.229 0.000 1.049 469 T CB 0.188 69.038 68.868 -0.029 0.000 0.947 469 T HN 0.545 nan 8.240 nan 0.000 0.472 470 Y N 0.966 121.462 120.300 0.327 0.000 2.524 470 Y HA 0.811 5.361 4.550 -0.000 0.000 0.347 470 Y C -2.062 174.018 175.900 0.300 0.000 1.005 470 Y CA -1.816 56.497 58.100 0.356 0.000 1.025 470 Y CB 1.022 39.738 38.460 0.426 0.000 1.275 470 Y HN 0.426 nan 8.280 nan 0.000 0.460 471 L N 3.823 125.236 121.223 0.316 0.000 2.393 471 L HA 0.632 4.972 4.340 -0.000 0.000 0.260 471 L C -1.033 175.996 176.870 0.265 0.000 1.002 471 L CA -0.815 54.141 54.840 0.195 0.000 0.818 471 L CB 2.545 44.742 42.059 0.230 0.000 1.369 471 L HN 0.693 nan 8.230 nan 0.000 0.412 472 I N 2.475 123.156 120.570 0.185 0.000 2.420 472 I HA 0.378 4.548 4.170 -0.000 0.000 0.282 472 I C -0.709 175.473 176.117 0.109 0.000 1.019 472 I CA -0.317 61.091 61.300 0.179 0.000 1.130 472 I CB 1.410 39.464 38.000 0.091 0.000 1.262 472 I HN 0.409 nan 8.210 nan 0.000 0.454 473 M N 6.232 125.937 119.600 0.175 0.000 2.108 473 M HA 0.296 4.776 4.480 -0.000 0.000 0.354 473 M C -0.478 175.913 176.300 0.152 0.000 1.229 473 M CA 0.185 55.574 55.300 0.149 0.000 1.081 473 M CB 0.983 33.691 32.600 0.180 0.000 1.606 473 M HN 0.548 nan 8.290 nan 0.000 0.467 474 N N 3.477 122.225 118.700 0.081 0.000 2.310 474 N HA 0.210 4.950 4.740 -0.000 0.000 0.292 474 N C -0.924 174.644 175.510 0.096 0.000 1.049 474 N CA -0.169 52.929 53.050 0.081 0.000 0.849 474 N CB 1.727 40.182 38.487 -0.053 0.000 1.532 474 N HN 0.637 nan 8.380 nan 0.000 0.479 475 K N 2.368 122.862 120.400 0.157 0.000 3.077 475 K HA -0.220 4.100 4.320 -0.000 0.000 0.264 475 K C 0.795 177.534 176.600 0.232 0.000 1.008 475 K CA 0.868 57.280 56.287 0.208 0.000 0.740 475 K CB -1.759 30.858 32.500 0.194 0.000 1.273 475 K HN 1.042 nan 8.250 nan 0.000 0.477 476 G N -0.038 108.886 108.800 0.207 0.000 2.220 476 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.269 476 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.269 476 G C 0.185 175.191 174.900 0.177 0.000 0.977 476 G CA 1.215 46.434 45.100 0.197 0.000 0.634 476 G HN 0.619 nan 8.290 nan 0.000 0.539 477 R N -0.427 120.168 120.500 0.159 0.000 2.674 477 R HA 0.806 5.146 4.340 -0.000 0.000 0.266 477 R C 0.080 176.420 176.300 0.065 0.000 1.016 477 R CA -1.136 55.030 56.100 0.110 0.000 1.062 477 R CB 0.825 31.179 30.300 0.089 0.000 1.142 477 R HN 0.120 nan 8.270 nan 0.000 0.517 478 L N 2.485 123.736 121.223 0.046 0.000 2.360 478 L HA 0.115 4.455 4.340 -0.000 0.000 0.276 478 L C 0.573 177.431 176.870 -0.019 0.000 1.121 478 L CA -0.278 54.582 54.840 0.033 0.000 0.845 478 L CB 1.109 43.196 42.059 0.045 0.000 1.143 478 L HN 0.697 nan 8.230 nan 0.000 0.452 479 L N 3.660 124.852 121.223 -0.053 0.000 2.269 479 L HA 0.283 4.623 4.340 -0.000 0.000 0.200 479 L C 0.284 177.093 176.870 -0.103 0.000 1.069 479 L CA 1.248 56.010 54.840 -0.129 0.000 0.804 479 L CB 0.070 41.958 42.059 -0.284 0.000 0.987 479 L HN 0.531 nan 8.230 nan 0.000 0.468 480 K N -0.562 119.797 120.400 -0.068 0.000 2.543 480 K HA 0.696 5.016 4.320 -0.000 0.000 0.255 480 K C -1.875 174.703 176.600 -0.037 0.000 0.934 480 K CA -0.194 56.074 56.287 -0.031 0.000 0.810 480 K CB 1.895 34.403 32.500 0.013 0.000 1.315 480 K HN 0.075 nan 8.250 nan 0.000 0.433 481 A N 2.006 124.768 122.820 -0.096 0.000 2.455 481 A HA 0.885 5.205 4.320 -0.000 0.000 0.300 481 A C -0.785 176.599 177.584 -0.333 0.000 1.040 481 A CA -0.185 51.705 52.037 -0.245 0.000 0.697 481 A CB 1.840 20.788 19.000 -0.087 0.000 1.265 481 A HN 0.826 nan 8.150 nan 0.000 0.407 482 G N 0.868 109.225 108.800 -0.739 0.000 2.815 482 G HA2 0.677 4.637 3.960 -0.000 0.000 0.305 482 G HA3 0.677 4.637 3.960 -0.000 0.000 0.305 482 G C -1.499 173.255 174.900 -0.242 0.000 1.277 482 G CA -0.704 44.175 45.100 -0.369 0.000 0.795 482 G HN 0.622 nan 8.290 nan 0.000 0.528 483 R N -0.119 120.452 120.500 0.118 0.000 2.740 483 R HA 0.568 4.908 4.340 -0.000 0.000 0.282 483 R C -1.323 175.155 176.300 0.298 0.000 0.969 483 R CA -0.850 55.379 56.100 0.214 0.000 0.918 483 R CB 1.969 32.289 30.300 0.035 0.000 1.175 483 R HN 0.526 nan 8.270 nan 0.000 0.464 484 Q N 2.005 121.934 119.800 0.215 0.000 2.381 484 Q HA 0.265 4.605 4.340 -0.000 0.000 0.263 484 Q C -0.584 175.421 176.000 0.009 0.000 1.030 484 Q CA -0.695 55.097 55.803 -0.019 0.000 0.772 484 Q CB 1.331 29.790 28.738 -0.464 0.000 1.232 484 Q HN 0.517 nan 8.270 nan 0.000 0.476 485 V N 2.050 121.972 119.914 0.013 0.000 2.924 485 V HA 0.645 4.765 4.120 -0.000 0.000 0.305 485 V C -0.277 175.804 176.094 -0.022 0.000 1.073 485 V CA -0.526 61.787 62.300 0.021 0.000 1.098 485 V CB 1.250 33.087 31.823 0.023 0.000 1.000 485 V HN 0.866 nan 8.190 nan 0.000 0.484 486 R N 1.931 122.397 120.500 -0.056 0.000 2.584 486 R HA 0.507 4.847 4.340 -0.000 0.000 0.276 486 R C -1.177 175.074 176.300 -0.082 0.000 1.046 486 R CA -0.519 55.530 56.100 -0.084 0.000 0.906 486 R CB 2.341 32.521 30.300 -0.201 0.000 1.215 486 R HN 0.985 nan 8.270 nan 0.000 0.449 487 E N 4.255 124.424 120.200 -0.052 0.000 2.195 487 E HA 0.370 4.720 4.350 -0.000 0.000 0.271 487 E C -2.331 174.238 176.600 -0.052 0.000 0.923 487 E CA -2.187 54.185 56.400 -0.046 0.000 0.790 487 E CB 1.836 31.522 29.700 -0.024 0.000 1.155 487 E HN 0.381 nan 8.360 nan 0.000 0.402 488 P HA -0.122 nan 4.420 nan 0.000 0.263 488 P C 0.677 177.956 177.300 -0.036 0.000 1.168 488 P CA 1.129 64.196 63.100 -0.055 0.000 0.759 488 P CB 0.559 32.230 31.700 -0.047 0.000 0.782 489 G N 2.026 110.807 108.800 -0.032 0.000 2.279 489 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.223 489 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.223 489 G C 0.086 174.982 174.900 -0.006 0.000 1.015 489 G CA -0.375 44.715 45.100 -0.017 0.000 0.621 489 G HN 0.589 nan 8.290 nan 0.000 0.506 490 Q N 1.001 120.797 119.800 -0.006 0.000 2.297 490 Q HA 0.348 4.688 4.340 -0.000 0.000 0.267 490 Q C 0.421 176.440 176.000 0.032 0.000 1.006 490 Q CA 0.053 55.865 55.803 0.014 0.000 0.896 490 Q CB 0.881 29.630 28.738 0.018 0.000 1.186 490 Q HN 0.350 nan 8.270 nan 0.000 0.392 491 D N 1.506 121.930 120.400 0.041 0.000 2.269 491 D HA 0.044 4.684 4.640 -0.000 0.000 0.220 491 D C 0.118 176.469 176.300 0.085 0.000 0.962 491 D CA 0.673 54.707 54.000 0.057 0.000 0.884 491 D CB 0.426 41.251 40.800 0.040 0.000 1.023 491 D HN 0.338 nan 8.370 nan 0.000 0.484 492 L N 1.100 122.366 121.223 0.071 0.000 2.346 492 L HA 0.476 4.816 4.340 -0.000 0.000 0.274 492 L C -1.156 175.766 176.870 0.087 0.000 1.007 492 L CA -0.624 54.264 54.840 0.081 0.000 0.818 492 L CB 1.902 43.994 42.059 0.054 0.000 1.284 492 L HN -0.158 nan 8.230 nan 0.000 0.424 493 V N 2.481 122.465 119.914 0.116 0.000 2.932 493 V HA 0.674 4.794 4.120 -0.000 0.000 0.307 493 V C -0.657 175.509 176.094 0.121 0.000 1.147 493 V CA -0.796 61.558 62.300 0.091 0.000 0.951 493 V CB 1.419 33.288 31.823 0.077 0.000 1.031 493 V HN 0.633 nan 8.190 nan 0.000 0.426 494 V N 1.779 121.736 119.914 0.073 0.000 2.384 494 V HA 0.757 4.877 4.120 -0.000 0.000 0.287 494 V C -0.304 175.817 176.094 0.045 0.000 1.020 494 V CA -0.678 61.676 62.300 0.089 0.000 0.850 494 V CB 1.221 33.072 31.823 0.048 0.000 0.987 494 V HN 1.045 nan 8.190 nan 0.000 0.436 495 L N 7.862 129.141 121.223 0.092 0.000 2.281 495 L HA 0.641 4.981 4.340 -0.000 0.000 0.285 495 L C -2.410 174.457 176.870 -0.005 0.000 1.074 495 L CA -1.596 53.242 54.840 -0.002 0.000 0.817 495 L CB 1.101 43.139 42.059 -0.036 0.000 1.168 495 L HN 0.525 nan 8.230 nan 0.000 0.434 496 P HA 0.206 nan 4.420 nan 0.000 0.274 496 P C -1.026 176.251 177.300 -0.037 0.000 1.504 496 P CA -0.388 62.697 63.100 -0.025 0.000 1.011 496 P CB 0.866 32.554 31.700 -0.019 0.000 1.366 497 L N 3.803 124.992 121.223 -0.057 0.000 2.275 497 L HA 0.393 4.733 4.340 -0.000 0.000 0.288 497 L C 0.134 176.909 176.870 -0.159 0.000 1.046 497 L CA -0.057 54.732 54.840 -0.084 0.000 0.805 497 L CB 0.954 42.960 42.059 -0.090 0.000 1.193 497 L HN 0.265 nan 8.230 nan 0.000 0.426 498 S N 5.828 121.433 115.700 -0.158 0.000 2.430 498 S HA 0.518 4.987 4.470 -0.000 0.000 0.289 498 S C -0.137 174.208 174.600 -0.425 0.000 1.143 498 S CA -0.846 57.230 58.200 -0.208 0.000 1.067 498 S CB 0.519 63.657 63.200 -0.103 0.000 0.964 498 S HN 0.408 nan 8.310 nan 0.000 0.485 499 I N 4.827 125.074 120.570 -0.538 0.000 2.363 499 I HA 0.163 4.333 4.170 -0.000 0.000 0.292 499 I C 1.393 177.267 176.117 -0.405 0.000 1.075 499 I CA 0.106 60.891 61.300 -0.857 0.000 1.333 499 I CB -0.466 37.182 38.000 -0.586 0.000 1.415 499 I HN 0.877 nan 8.210 nan 0.000 0.502 500 T N 1.475 115.906 114.554 -0.205 0.000 2.884 500 T HA 0.237 4.587 4.350 -0.000 0.000 0.277 500 T C 1.460 176.260 174.700 0.166 0.000 0.976 500 T CA 0.032 62.182 62.100 0.083 0.000 0.956 500 T CB 1.099 70.079 68.868 0.188 0.000 1.113 500 T HN 0.669 nan 8.240 nan 0.000 0.554 501 T N -1.794 112.826 114.554 0.110 0.000 3.007 501 T HA -0.063 4.287 4.350 -0.000 0.000 0.270 501 T C 1.107 175.873 174.700 0.110 0.000 1.107 501 T CA 0.960 63.113 62.100 0.088 0.000 1.118 501 T CB -0.632 68.274 68.868 0.063 0.000 0.889 501 T HN 0.592 nan 8.240 nan 0.000 0.506 502 D N 0.589 121.070 120.400 0.136 0.000 2.350 502 D HA 0.043 4.683 4.640 -0.000 0.000 0.216 502 D C 1.050 177.299 176.300 -0.085 0.000 0.968 502 D CA 0.564 54.569 54.000 0.008 0.000 0.894 502 D CB -0.348 40.397 40.800 -0.092 0.000 0.909 502 D HN 0.532 nan 8.370 nan 0.000 0.520 503 F N 0.330 120.234 119.950 -0.076 0.000 2.664 503 F HA 0.182 4.709 4.527 -0.000 0.000 0.296 503 F C 1.232 177.012 175.800 -0.032 0.000 1.125 503 F CA -0.303 57.658 58.000 -0.064 0.000 1.444 503 F CB 0.126 39.036 39.000 -0.150 0.000 1.114 503 F HN -0.218 nan 8.300 nan 0.000 0.576 504 I N 3.186 123.765 120.570 0.015 0.000 2.752 504 I HA -0.051 4.119 4.170 -0.000 0.000 0.287 504 I C -1.190 174.733 176.117 -0.324 0.000 1.188 504 I CA -1.077 60.062 61.300 -0.269 0.000 1.427 504 I CB 0.476 38.209 38.000 -0.445 0.000 1.365 504 I HN -0.146 nan 8.210 nan 0.000 0.585 505 P HA 0.029 nan 4.420 nan 0.000 0.251 505 P C -0.260 176.924 177.300 -0.193 0.000 1.223 505 P CA 0.464 63.271 63.100 -0.489 0.000 0.796 505 P CB 0.378 31.827 31.700 -0.418 0.000 1.068 506 S N -0.790 114.872 115.700 -0.063 0.000 2.656 506 S HA 0.628 5.098 4.470 -0.000 0.000 0.265 506 S C -1.396 173.246 174.600 0.070 0.000 1.110 506 S CA -0.925 57.209 58.200 -0.110 0.000 0.821 506 S CB 0.480 63.542 63.200 -0.230 0.000 1.099 506 S HN 0.096 nan 8.310 nan 0.000 0.471 507 F N -1.208 118.636 119.950 -0.177 0.000 2.713 507 F HA 0.864 5.390 4.527 -0.000 0.000 0.311 507 F C -1.095 174.675 175.800 -0.051 0.000 1.141 507 F CA -1.175 56.796 58.000 -0.047 0.000 0.939 507 F CB 1.270 40.291 39.000 0.035 0.000 1.325 507 F HN 0.781 nan 8.300 nan 0.000 0.453 508 R N 1.712 122.388 120.500 0.292 0.000 2.637 508 R HA 0.625 4.965 4.340 -0.000 0.000 0.291 508 R C -1.830 174.682 176.300 0.353 0.000 0.963 508 R CA -1.113 55.120 56.100 0.221 0.000 0.901 508 R CB 2.069 32.502 30.300 0.221 0.000 1.160 508 R HN 0.671 nan 8.270 nan 0.000 0.457 509 L N 5.130 126.508 121.223 0.259 0.000 2.295 509 L HA 0.404 4.744 4.340 -0.000 0.000 0.281 509 L C -1.002 175.957 176.870 0.149 0.000 1.018 509 L CA -0.507 54.492 54.840 0.265 0.000 0.841 509 L CB 1.506 43.704 42.059 0.233 0.000 1.218 509 L HN 0.380 nan 8.230 nan 0.000 0.424 510 V N 3.329 123.352 119.914 0.182 0.000 2.532 510 V HA 0.895 5.015 4.120 -0.000 0.000 0.295 510 V C 0.306 176.513 176.094 0.189 0.000 1.041 510 V CA -0.680 61.677 62.300 0.095 0.000 0.926 510 V CB 1.262 33.120 31.823 0.058 0.000 0.992 510 V HN 0.875 nan 8.190 nan 0.000 0.457 511 A N 4.078 126.969 122.820 0.120 0.000 2.520 511 A HA 0.924 5.244 4.320 -0.000 0.000 0.298 511 A C -1.343 176.421 177.584 0.300 0.000 1.051 511 A CA -0.635 51.586 52.037 0.307 0.000 0.690 511 A CB 1.816 21.008 19.000 0.319 0.000 1.281 511 A HN 1.480 nan 8.150 nan 0.000 0.402 512 Y N -0.224 120.239 120.300 0.271 0.000 2.571 512 Y HA 0.793 5.343 4.550 -0.000 0.000 0.341 512 Y C -1.318 174.793 175.900 0.352 0.000 1.076 512 Y CA -1.420 56.793 58.100 0.188 0.000 1.029 512 Y CB 1.091 39.613 38.460 0.103 0.000 1.308 512 Y HN 1.111 nan 8.280 nan 0.000 0.461 513 Y N -0.266 120.106 120.300 0.120 0.000 2.545 513 Y HA 0.848 5.398 4.550 -0.000 0.000 0.348 513 Y C -1.050 174.831 175.900 -0.032 0.000 1.002 513 Y CA -1.149 56.905 58.100 -0.077 0.000 1.039 513 Y CB 2.010 40.443 38.460 -0.045 0.000 1.271 513 Y HN 0.915 nan 8.280 nan 0.000 0.467 514 T N 4.111 118.661 114.554 -0.006 0.000 2.900 514 T HA 0.793 5.143 4.350 -0.000 0.000 0.295 514 T C -1.305 173.346 174.700 -0.083 0.000 1.044 514 T CA -0.548 61.502 62.100 -0.083 0.000 0.995 514 T CB 1.012 69.803 68.868 -0.128 0.000 1.072 514 T HN 1.095 nan 8.240 nan 0.000 0.473 515 L N 1.328 122.509 121.223 -0.069 0.000 2.801 515 L HA 0.778 5.118 4.340 -0.000 0.000 0.264 515 L C -1.751 175.078 176.870 -0.067 0.000 1.086 515 L CA -1.342 53.463 54.840 -0.059 0.000 0.920 515 L CB 1.763 43.812 42.059 -0.017 0.000 1.529 515 L HN 0.559 nan 8.230 nan 0.000 0.399 516 I N 1.352 121.892 120.570 -0.051 0.000 2.371 516 I HA 0.670 4.840 4.170 -0.000 0.000 0.282 516 I C 0.427 176.490 176.117 -0.090 0.000 1.031 516 I CA -0.236 61.032 61.300 -0.054 0.000 1.180 516 I CB 0.879 38.866 38.000 -0.022 0.000 1.336 516 I HN 0.762 nan 8.210 nan 0.000 0.467 517 G N 3.134 111.824 108.800 -0.183 0.000 2.597 517 G HA2 0.662 4.622 3.960 -0.000 0.000 0.317 517 G HA3 0.662 4.622 3.960 -0.000 0.000 0.317 517 G C 0.471 175.203 174.900 -0.281 0.000 1.230 517 G CA 0.011 44.852 45.100 -0.432 0.000 0.996 517 G HN 0.791 nan 8.290 nan 0.000 0.490 518 A N -0.505 122.117 122.820 -0.330 0.000 3.941 518 A HA -0.289 4.031 4.320 -0.000 0.000 0.355 518 A C 1.956 179.532 177.584 -0.013 0.000 1.675 518 A CA 2.839 54.825 52.037 -0.086 0.000 0.874 518 A CB -1.879 17.076 19.000 -0.075 0.000 1.486 518 A HN 1.988 nan 8.150 nan 0.000 0.583 519 S N -2.200 113.484 115.700 -0.026 0.000 3.339 519 S HA 0.525 4.995 4.470 -0.000 0.000 0.221 519 S C 1.338 175.932 174.600 -0.010 0.000 1.059 519 S CA 0.945 59.142 58.200 -0.006 0.000 1.365 519 S CB 0.648 63.844 63.200 -0.006 0.000 1.065 519 S HN 1.848 nan 8.310 nan 0.000 0.618 520 G N 1.217 110.012 108.800 -0.008 0.000 3.155 520 G HA2 0.116 4.076 3.960 -0.000 0.000 0.213 520 G HA3 0.116 4.076 3.960 -0.000 0.000 0.213 520 G C 0.095 174.982 174.900 -0.021 0.000 1.196 520 G CA -0.079 45.016 45.100 -0.010 0.000 0.846 520 G HN 0.469 nan 8.290 nan 0.000 0.516 521 Q N 0.624 120.404 119.800 -0.033 0.000 2.262 521 Q HA 0.094 4.434 4.340 -0.000 0.000 0.272 521 Q C 0.185 176.150 176.000 -0.058 0.000 1.076 521 Q CA 0.003 55.779 55.803 -0.045 0.000 0.905 521 Q CB 1.053 29.756 28.738 -0.058 0.000 1.182 521 Q HN 0.211 nan 8.270 nan 0.000 0.390 522 R N 2.826 123.296 120.500 -0.051 0.000 2.298 522 R HA 0.110 4.450 4.340 -0.000 0.000 0.310 522 R C -0.708 175.533 176.300 -0.099 0.000 1.068 522 R CA 0.153 56.215 56.100 -0.064 0.000 0.957 522 R CB 0.516 30.790 30.300 -0.044 0.000 1.003 522 R HN 0.537 nan 8.270 nan 0.000 0.454 523 E N 3.440 123.565 120.200 -0.126 0.000 2.199 523 E HA 0.394 4.744 4.350 -0.000 0.000 0.265 523 E C -1.401 175.055 176.600 -0.239 0.000 0.882 523 E CA -0.925 55.371 56.400 -0.175 0.000 0.759 523 E CB 1.613 31.231 29.700 -0.137 0.000 1.148 523 E HN 0.383 nan 8.360 nan 0.000 0.412 524 V N 4.462 124.132 119.914 -0.407 0.000 2.459 524 V HA 0.432 4.552 4.120 -0.000 0.000 0.295 524 V C -0.518 175.347 176.094 -0.381 0.000 1.029 524 V CA -0.700 61.321 62.300 -0.466 0.000 0.874 524 V CB 1.785 33.116 31.823 -0.820 0.000 0.985 524 V HN 0.494 nan 8.190 nan 0.000 0.438 525 V N 3.667 123.340 119.914 -0.402 0.000 2.531 525 V HA 0.923 5.043 4.120 -0.000 0.000 0.301 525 V C 0.061 176.011 176.094 -0.240 0.000 1.034 525 V CA -0.362 61.712 62.300 -0.376 0.000 0.865 525 V CB 1.557 32.859 31.823 -0.868 0.000 0.995 525 V HN 1.046 nan 8.190 nan 0.000 0.424 526 A N 3.301 126.091 122.820 -0.050 0.000 2.527 526 A HA 0.959 5.279 4.320 -0.000 0.000 0.293 526 A C -1.506 175.987 177.584 -0.151 0.000 1.117 526 A CA -0.466 51.517 52.037 -0.090 0.000 0.723 526 A CB 2.231 21.055 19.000 -0.294 0.000 1.313 526 A HN 0.761 nan 8.150 nan 0.000 0.411 527 D N -0.956 119.349 120.400 -0.157 0.000 2.609 527 D HA 0.649 5.289 4.640 -0.000 0.000 0.239 527 D C -0.824 175.383 176.300 -0.155 0.000 1.229 527 D CA 0.495 54.393 54.000 -0.170 0.000 0.808 527 D CB 2.117 42.792 40.800 -0.207 0.000 1.448 527 D HN 0.911 nan 8.370 nan 0.000 0.433 528 S N 0.262 115.889 115.700 -0.123 0.000 2.588 528 S HA 0.804 5.274 4.470 -0.000 0.000 0.275 528 S C -1.614 172.946 174.600 -0.068 0.000 1.130 528 S CA -0.754 57.402 58.200 -0.074 0.000 0.855 528 S CB 1.750 64.936 63.200 -0.024 0.000 1.116 528 S HN 0.528 nan 8.310 nan 0.000 0.472 529 V N 1.946 121.834 119.914 -0.042 0.000 2.760 529 V HA 0.692 4.812 4.120 -0.000 0.000 0.309 529 V C -1.902 174.192 176.094 0.001 0.000 1.077 529 V CA -0.693 61.581 62.300 -0.044 0.000 0.910 529 V CB 1.825 33.568 31.823 -0.134 0.000 1.008 529 V HN 1.044 nan 8.190 nan 0.000 0.424 530 W N 6.863 128.073 121.300 -0.150 0.000 2.335 530 W HA 0.712 5.372 4.660 -0.000 0.000 0.307 530 W C -1.147 175.189 176.519 -0.305 0.000 1.117 530 W CA -0.315 56.912 57.345 -0.196 0.000 1.228 530 W CB 1.401 30.787 29.460 -0.123 0.000 1.240 530 W HN 0.478 nan 8.180 nan 0.000 0.468 531 V N 6.328 125.461 119.914 -1.302 0.000 2.604 531 V HA 0.215 4.335 4.120 -0.000 0.000 0.305 531 V C -0.929 174.193 176.094 -1.620 0.000 1.043 531 V CA -0.813 60.663 62.300 -1.372 0.000 0.888 531 V CB 1.806 32.799 31.823 -1.384 0.000 0.995 531 V HN 0.429 nan 8.190 nan 0.000 0.429 532 D N 3.260 122.957 120.400 -1.172 0.000 2.472 532 D HA 0.396 5.036 4.640 -0.000 0.000 0.234 532 D C -0.234 175.823 176.300 -0.405 0.000 1.088 532 D CA -0.175 53.308 54.000 -0.861 0.000 0.882 532 D CB 1.411 41.772 40.800 -0.732 0.000 1.037 532 D HN 0.268 nan 8.370 nan 0.000 0.520 533 V N 3.346 123.099 119.914 -0.269 0.000 2.872 533 V HA 0.002 4.122 4.120 -0.000 0.000 0.307 533 V C 0.891 176.887 176.094 -0.164 0.000 1.072 533 V CA -0.244 61.977 62.300 -0.132 0.000 1.148 533 V CB 0.564 32.366 31.823 -0.035 0.000 0.954 533 V HN 0.475 nan 8.190 nan 0.000 0.490 534 K N 2.908 123.229 120.400 -0.131 0.000 2.412 534 K HA 0.075 4.395 4.320 -0.000 0.000 0.281 534 K C -0.418 176.079 176.600 -0.173 0.000 1.027 534 K CA -0.002 56.212 56.287 -0.122 0.000 0.989 534 K CB 0.191 32.640 32.500 -0.086 0.000 0.935 534 K HN 0.672 nan 8.250 nan 0.000 0.475 535 D N 1.773 122.064 120.400 -0.182 0.000 2.345 535 D HA 0.304 4.944 4.640 -0.000 0.000 0.247 535 D C -0.596 175.632 176.300 -0.120 0.000 1.108 535 D CA 0.356 54.187 54.000 -0.281 0.000 0.894 535 D CB 1.082 41.756 40.800 -0.211 0.000 1.203 535 D HN 0.650 nan 8.370 nan 0.000 0.430 536 S N 0.269 115.915 115.700 -0.089 0.000 2.643 536 S HA 0.274 4.744 4.470 -0.000 0.000 0.266 536 S C -0.526 174.237 174.600 0.272 0.000 1.130 536 S CA -1.023 57.235 58.200 0.096 0.000 0.817 536 S CB -0.004 63.212 63.200 0.027 0.000 1.107 536 S HN 0.484 nan 8.310 nan 0.000 0.471 537 C N 1.225 120.664 119.300 0.232 0.000 2.741 537 C HA 0.275 4.735 4.460 -0.000 0.000 0.403 537 C C 2.421 177.534 174.990 0.205 0.000 1.282 537 C CA 0.141 59.298 59.018 0.232 0.000 2.053 537 C CB -0.101 27.696 27.740 0.094 0.000 2.731 537 C HN 0.668 nan 8.230 nan 0.000 0.680 538 V N 2.524 122.570 119.914 0.220 0.000 2.255 538 V HA 0.044 4.164 4.120 -0.000 0.000 0.243 538 V C 1.768 177.913 176.094 0.085 0.000 1.038 538 V CA 2.304 64.695 62.300 0.150 0.000 1.008 538 V CB -1.312 30.606 31.823 0.158 0.000 0.645 538 V HN 1.086 nan 8.190 nan 0.000 0.449 539 G N -0.341 108.498 108.800 0.066 0.000 2.928 539 G HA2 0.452 4.412 3.960 -0.000 0.000 0.163 539 G HA3 0.452 4.412 3.960 -0.000 0.000 0.163 539 G C -0.154 174.768 174.900 0.037 0.000 1.573 539 G CA 0.594 45.720 45.100 0.043 0.000 1.084 539 G HN 0.693 nan 8.290 nan 0.000 0.569 540 S N -2.107 113.608 115.700 0.025 0.000 2.596 540 S HA 0.678 5.148 4.470 -0.000 0.000 0.270 540 S C -1.620 172.985 174.600 0.008 0.000 1.155 540 S CA -0.690 57.521 58.200 0.018 0.000 0.827 540 S CB 2.047 65.259 63.200 0.019 0.000 1.130 540 S HN 1.121 nan 8.310 nan 0.000 0.467 541 L N 0.903 122.128 121.223 0.003 0.000 2.588 541 L HA 0.799 5.139 4.340 -0.000 0.000 0.263 541 L C -1.967 174.904 176.870 0.001 0.000 0.935 541 L CA -0.210 54.630 54.840 -0.001 0.000 0.891 541 L CB 1.916 43.965 42.059 -0.016 0.000 1.318 541 L HN 0.795 nan 8.230 nan 0.000 0.409 542 V N 5.043 124.961 119.914 0.006 0.000 2.686 542 V HA 0.590 4.710 4.120 -0.000 0.000 0.306 542 V C -0.782 175.318 176.094 0.010 0.000 1.065 542 V CA -0.733 61.572 62.300 0.008 0.000 0.894 542 V CB 2.293 34.122 31.823 0.009 0.000 1.004 542 V HN 0.464 nan 8.190 nan 0.000 0.424 543 V N 5.828 125.749 119.914 0.012 0.000 2.394 543 V HA 0.628 4.748 4.120 -0.000 0.000 0.282 543 V C -0.038 176.065 176.094 0.016 0.000 1.031 543 V CA -0.541 61.768 62.300 0.015 0.000 0.881 543 V CB 1.518 33.352 31.823 0.018 0.000 0.982 543 V HN 1.002 nan 8.190 nan 0.000 0.451 544 K N 1.741 122.150 120.400 0.016 0.000 2.509 544 K HA 0.561 4.881 4.320 -0.000 0.000 0.266 544 K C -0.393 176.217 176.600 0.016 0.000 0.987 544 K CA -0.704 55.593 56.287 0.016 0.000 0.868 544 K CB 1.795 34.303 32.500 0.014 0.000 1.421 544 K HN 0.367 nan 8.250 nan 0.000 0.444 545 S N 0.840 116.549 115.700 0.016 0.000 2.711 545 S HA 0.046 4.516 4.470 -0.000 0.000 0.335 545 S C 1.244 175.852 174.600 0.014 0.000 1.175 545 S CA 0.221 58.431 58.200 0.016 0.000 1.372 545 S CB -1.082 62.127 63.200 0.016 0.000 1.337 545 S HN 0.736 nan 8.310 nan 0.000 0.572 546 G N 3.544 112.352 108.800 0.013 0.000 2.476 546 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 546 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 546 G C 0.551 175.457 174.900 0.011 0.000 1.164 546 G CA 0.241 45.348 45.100 0.012 0.000 0.768 546 G HN 0.761 nan 8.290 nan 0.000 0.560 547 Q N 1.781 121.588 119.800 0.010 0.000 2.413 547 Q HA 0.131 4.471 4.340 -0.000 0.000 0.298 547 Q C 0.408 176.413 176.000 0.009 0.000 1.186 547 Q CA -0.117 55.692 55.803 0.009 0.000 1.014 547 Q CB 0.106 28.849 28.738 0.009 0.000 1.130 547 Q HN 0.474 nan 8.270 nan 0.000 0.410 548 S N 3.576 119.281 115.700 0.008 0.000 3.205 548 S HA -0.084 4.386 4.470 -0.000 0.000 0.381 548 S C 0.163 174.768 174.600 0.009 0.000 1.122 548 S CA 0.065 58.270 58.200 0.008 0.000 1.485 548 S CB -0.039 63.165 63.200 0.007 0.000 1.058 548 S HN 0.798 nan 8.310 nan 0.000 0.570 549 E N 1.093 121.299 120.200 0.010 0.000 2.681 549 E HA -0.164 4.186 4.350 -0.000 0.000 0.326 549 E C -0.863 175.744 176.600 0.012 0.000 1.348 549 E CA 1.749 58.155 56.400 0.011 0.000 1.147 549 E CB -1.386 28.320 29.700 0.009 0.000 1.796 549 E HN 0.722 nan 8.360 nan 0.000 0.571 550 D N 1.521 121.928 120.400 0.011 0.000 2.387 550 D HA 0.763 5.403 4.640 -0.000 0.000 0.255 550 D C -0.299 176.008 176.300 0.012 0.000 1.081 550 D CA -0.184 53.824 54.000 0.012 0.000 0.994 550 D CB 0.705 41.512 40.800 0.012 0.000 1.127 550 D HN 0.371 nan 8.370 nan 0.000 0.513 551 R N -0.447 120.061 120.500 0.013 0.000 4.999 551 R HA -0.062 4.278 4.340 -0.000 0.000 0.189 551 R C -1.387 174.923 176.300 0.016 0.000 0.821 551 R CA -0.341 55.767 56.100 0.012 0.000 0.929 551 R CB -0.760 29.545 30.300 0.009 0.000 1.391 551 R HN 0.601 nan 8.270 nan 0.000 0.510 552 Q N 2.013 121.822 119.800 0.015 0.000 2.357 552 Q HA 0.497 4.837 4.340 -0.000 0.000 0.266 552 Q C -1.894 174.114 176.000 0.012 0.000 1.021 552 Q CA -1.732 54.082 55.803 0.018 0.000 0.784 552 Q CB 1.588 30.340 28.738 0.023 0.000 1.243 552 Q HN 0.251 nan 8.270 nan 0.000 0.465 553 P HA 0.102 nan 4.420 nan 0.000 0.272 553 P C -0.703 176.599 177.300 0.003 0.000 1.230 553 P CA -0.371 62.734 63.100 0.008 0.000 0.788 553 P CB 0.902 32.609 31.700 0.011 0.000 0.949 554 V N 2.637 122.550 119.914 -0.002 0.000 2.716 554 V HA 0.262 4.382 4.120 -0.000 0.000 0.304 554 V C -2.015 174.075 176.094 -0.008 0.000 1.053 554 V CA -1.969 60.325 62.300 -0.009 0.000 0.984 554 V CB 0.973 32.789 31.823 -0.013 0.000 1.021 554 V HN 0.601 nan 8.190 nan 0.000 0.467 555 P HA 0.183 nan 4.420 nan 0.000 0.262 555 P C 0.706 178.002 177.300 -0.007 0.000 1.182 555 P CA 1.389 64.483 63.100 -0.009 0.000 0.761 555 P CB 0.312 32.002 31.700 -0.016 0.000 0.795 556 G N 1.484 110.281 108.800 -0.004 0.000 2.184 556 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.264 556 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.264 556 G C 0.231 175.129 174.900 -0.002 0.000 0.975 556 G CA 0.212 45.310 45.100 -0.003 0.000 0.642 556 G HN 0.736 nan 8.290 nan 0.000 0.536 557 Q N 0.348 120.147 119.800 -0.002 0.000 2.327 557 Q HA 0.486 4.826 4.340 -0.000 0.000 0.254 557 Q C 0.399 176.400 176.000 0.002 0.000 0.952 557 Q CA -0.322 55.481 55.803 -0.000 0.000 0.884 557 Q CB 0.454 29.192 28.738 -0.001 0.000 1.224 557 Q HN 0.521 nan 8.270 nan 0.000 0.422 558 Q N 2.469 122.271 119.800 0.002 0.000 2.373 558 Q HA 0.372 4.712 4.340 -0.000 0.000 0.255 558 Q C -0.469 175.534 176.000 0.005 0.000 0.980 558 Q CA 0.241 56.046 55.803 0.004 0.000 0.882 558 Q CB 0.845 29.584 28.738 0.003 0.000 1.249 558 Q HN 0.711 nan 8.270 nan 0.000 0.438 559 M N -1.155 118.449 119.600 0.007 0.000 2.732 559 M HA 0.493 4.973 4.480 -0.000 0.000 0.272 559 M C -1.499 174.807 176.300 0.010 0.000 1.203 559 M CA -0.834 54.471 55.300 0.009 0.000 0.841 559 M CB 2.199 34.805 32.600 0.010 0.000 1.685 559 M HN 0.265 nan 8.290 nan 0.000 0.492 560 T N 2.564 117.124 114.554 0.010 0.000 2.770 560 T HA 0.637 4.987 4.350 -0.000 0.000 0.283 560 T C -0.909 173.798 174.700 0.013 0.000 0.988 560 T CA -0.515 61.592 62.100 0.011 0.000 0.957 560 T CB 1.016 69.889 68.868 0.010 0.000 0.930 560 T HN 0.433 nan 8.240 nan 0.000 0.443 561 L N 3.398 124.630 121.223 0.014 0.000 2.350 561 L HA 0.468 4.808 4.340 -0.000 0.000 0.275 561 L C 0.457 177.336 176.870 0.015 0.000 1.099 561 L CA -0.131 54.718 54.840 0.016 0.000 0.808 561 L CB 0.878 42.948 42.059 0.017 0.000 1.149 561 L HN 0.495 nan 8.230 nan 0.000 0.442 562 K N 4.119 124.528 120.400 0.015 0.000 2.464 562 K HA 0.467 4.787 4.320 -0.000 0.000 0.252 562 K C -1.057 175.552 176.600 0.016 0.000 1.000 562 K CA -0.548 55.748 56.287 0.015 0.000 0.951 562 K CB 0.515 33.023 32.500 0.014 0.000 1.183 562 K HN 0.424 nan 8.250 nan 0.000 0.445 563 I N 3.167 123.747 120.570 0.017 0.000 2.428 563 I HA 0.164 4.334 4.170 -0.000 0.000 0.289 563 I C -0.106 176.022 176.117 0.019 0.000 1.019 563 I CA -0.016 61.294 61.300 0.017 0.000 1.351 563 I CB 1.357 39.368 38.000 0.018 0.000 1.412 563 I HN 0.467 nan 8.210 nan 0.000 0.513 564 E N 4.104 124.314 120.200 0.018 0.000 2.241 564 E HA 0.714 5.064 4.350 -0.000 0.000 0.263 564 E C -0.329 176.283 176.600 0.020 0.000 0.882 564 E CA -0.593 55.819 56.400 0.020 0.000 0.769 564 E CB 2.157 31.867 29.700 0.017 0.000 1.185 564 E HN 0.811 nan 8.360 nan 0.000 0.415 565 G N 2.032 110.848 108.800 0.027 0.000 2.634 565 G HA2 0.143 4.103 3.960 -0.000 0.000 0.309 565 G HA3 0.143 4.103 3.960 -0.000 0.000 0.309 565 G C -1.322 173.603 174.900 0.042 0.000 1.299 565 G CA -0.792 44.324 45.100 0.027 0.000 0.798 565 G HN 0.380 nan 8.290 nan 0.000 0.490 566 D N 0.848 121.272 120.400 0.039 0.000 2.417 566 D HA 0.190 4.830 4.640 -0.000 0.000 0.250 566 D C 0.376 176.724 176.300 0.080 0.000 1.166 566 D CA 0.431 54.466 54.000 0.059 0.000 0.881 566 D CB 0.895 41.720 40.800 0.041 0.000 1.164 566 D HN 0.393 nan 8.370 nan 0.000 0.467 567 H N 0.873 119.949 119.070 0.009 0.000 3.140 567 H HA 0.093 4.649 4.556 -0.000 0.000 0.316 567 H C 1.511 176.845 175.328 0.011 0.000 0.986 567 H CA 1.671 57.725 56.048 0.009 0.000 1.397 567 H CB 0.249 30.016 29.762 0.009 0.000 1.377 567 H HN 0.668 nan 8.280 nan 0.000 0.585 568 G N 2.495 111.016 108.800 -0.466 0.000 2.336 568 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.233 568 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.233 568 G C 0.620 175.434 174.900 -0.144 0.000 1.053 568 G CA 0.142 45.022 45.100 -0.365 0.000 0.625 568 G HN 1.160 nan 8.290 nan 0.000 0.511 569 A N 0.741 123.515 122.820 -0.077 0.000 2.561 569 A HA 0.511 4.831 4.320 -0.000 0.000 0.234 569 A C 0.800 178.372 177.584 -0.019 0.000 1.055 569 A CA 1.260 53.278 52.037 -0.031 0.000 0.756 569 A CB 0.067 19.060 19.000 -0.012 0.000 0.986 569 A HN 1.204 nan 8.150 nan 0.000 0.505 570 R N 2.028 122.527 120.500 -0.001 0.000 2.265 570 R HA 0.472 4.812 4.340 -0.000 0.000 0.314 570 R C -1.329 174.990 176.300 0.031 0.000 1.053 570 R CA -0.263 55.847 56.100 0.017 0.000 0.931 570 R CB 0.534 30.853 30.300 0.031 0.000 1.024 570 R HN 0.431 nan 8.270 nan 0.000 0.457 571 V N 6.288 126.219 119.914 0.030 0.000 2.417 571 V HA 0.345 4.465 4.120 -0.000 0.000 0.291 571 V C -0.254 175.872 176.094 0.053 0.000 1.024 571 V CA -0.764 61.557 62.300 0.034 0.000 0.861 571 V CB 1.527 33.363 31.823 0.021 0.000 0.985 571 V HN 0.672 nan 8.190 nan 0.000 0.436 572 V N 3.993 123.956 119.914 0.082 0.000 2.513 572 V HA 0.781 4.901 4.120 -0.000 0.000 0.299 572 V C -0.662 175.483 176.094 0.085 0.000 1.035 572 V CA -0.679 61.680 62.300 0.098 0.000 0.889 572 V CB 1.501 33.423 31.823 0.164 0.000 0.988 572 V HN 0.641 nan 8.190 nan 0.000 0.440 573 L N 4.500 125.762 121.223 0.066 0.000 2.333 573 L HA 0.904 5.244 4.340 -0.000 0.000 0.269 573 L C -0.416 176.491 176.870 0.062 0.000 1.010 573 L CA -0.845 54.029 54.840 0.057 0.000 0.818 573 L CB 2.122 44.206 42.059 0.040 0.000 1.306 573 L HN 0.654 nan 8.230 nan 0.000 0.430 574 V N 1.018 120.971 119.914 0.064 0.000 2.932 574 V HA 0.881 5.001 4.120 -0.000 0.000 0.307 574 V C -1.383 174.747 176.094 0.059 0.000 1.147 574 V CA -0.277 62.062 62.300 0.064 0.000 0.951 574 V CB 2.166 34.041 31.823 0.087 0.000 1.031 574 V HN 0.819 nan 8.190 nan 0.000 0.426 575 A N 5.390 128.237 122.820 0.044 0.000 2.319 575 A HA 0.862 5.182 4.320 -0.000 0.000 0.310 575 A C -1.300 176.292 177.584 0.014 0.000 1.152 575 A CA -0.481 51.578 52.037 0.036 0.000 0.783 575 A CB 1.637 20.651 19.000 0.025 0.000 1.184 575 A HN 1.021 nan 8.150 nan 0.000 0.474 576 V N 2.726 122.646 119.914 0.010 0.000 2.540 576 V HA 0.264 4.384 4.120 -0.000 0.000 0.302 576 V C -0.283 175.718 176.094 -0.154 0.000 1.035 576 V CA -0.801 61.447 62.300 -0.087 0.000 0.873 576 V CB 1.838 33.604 31.823 -0.095 0.000 0.992 576 V HN 0.964 nan 8.190 nan 0.000 0.428 577 D N 3.464 123.748 120.400 -0.193 0.000 2.450 577 D HA 0.027 4.667 4.640 -0.000 0.000 0.247 577 D C 1.039 177.134 176.300 -0.341 0.000 1.162 577 D CA 0.298 54.188 54.000 -0.183 0.000 0.879 577 D CB 1.053 41.772 40.800 -0.136 0.000 1.163 577 D HN 0.500 nan 8.370 nan 0.000 0.472 578 K N 2.211 122.489 120.400 -0.203 0.000 2.442 578 K HA -0.077 4.243 4.320 -0.000 0.000 0.198 578 K C 1.806 178.282 176.600 -0.206 0.000 1.044 578 K CA 0.717 56.894 56.287 -0.184 0.000 0.948 578 K CB 0.035 32.564 32.500 0.049 0.000 0.762 578 K HN 0.572 nan 8.250 nan 0.000 0.472 579 G N 0.721 109.403 108.800 -0.197 0.000 2.418 579 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 579 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 579 G C 1.463 176.208 174.900 -0.257 0.000 1.158 579 G CA 0.642 45.639 45.100 -0.172 0.000 0.771 579 G HN 0.118 nan 8.290 nan 0.000 0.545 580 V N 0.804 120.475 119.914 -0.405 0.000 2.324 580 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 580 V C 2.511 178.419 176.094 -0.311 0.000 1.060 580 V CA 1.661 63.690 62.300 -0.452 0.000 1.042 580 V CB -0.670 30.812 31.823 -0.569 0.000 0.650 580 V HN 0.334 nan 8.190 nan 0.000 0.450 581 F N -0.412 119.471 119.950 -0.112 0.000 2.451 581 F HA -0.025 4.502 4.527 -0.000 0.000 0.299 581 F C 2.168 177.906 175.800 -0.103 0.000 1.101 581 F CA 0.259 58.204 58.000 -0.091 0.000 1.436 581 F CB -1.354 37.612 39.000 -0.058 0.000 1.074 581 F HN -0.000 nan 8.300 nan 0.000 0.553 582 V N -0.667 119.248 119.914 0.000 0.000 2.453 582 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 582 V C 2.318 178.353 176.094 -0.098 0.000 1.048 582 V CA 1.070 63.329 62.300 -0.068 0.000 1.049 582 V CB -0.491 31.248 31.823 -0.141 0.000 0.672 582 V HN 0.165 nan 8.190 nan 0.000 0.457 583 L N -0.351 120.786 121.223 -0.144 0.000 2.049 583 L HA 0.167 4.507 4.340 -0.000 0.000 0.203 583 L C 1.033 177.842 176.870 -0.100 0.000 1.074 583 L CA 1.537 56.272 54.840 -0.176 0.000 0.749 583 L CB -0.635 41.207 42.059 -0.363 0.000 0.907 583 L HN 0.453 nan 8.230 nan 0.000 0.439 584 N N -0.465 118.200 118.700 -0.058 0.000 2.369 584 N HA 0.142 4.882 4.740 -0.000 0.000 0.287 584 N C -0.610 174.964 175.510 0.107 0.000 1.067 584 N CA -0.113 52.946 53.050 0.015 0.000 0.888 584 N CB 1.687 40.183 38.487 0.014 0.000 1.616 584 N HN 0.209 nan 8.380 nan 0.000 0.482 585 K N 1.573 122.020 120.400 0.077 0.000 2.644 585 K HA 0.311 4.631 4.320 -0.000 0.000 0.198 585 K C -0.571 176.031 176.600 0.003 0.000 1.113 585 K CA -0.467 55.849 56.287 0.048 0.000 1.073 585 K CB 0.437 32.927 32.500 -0.016 0.000 0.811 585 K HN 0.251 nan 8.250 nan 0.000 0.508 586 K N 1.432 121.859 120.400 0.045 0.000 2.090 586 K HA 0.145 4.465 4.320 -0.000 0.000 0.250 586 K C -0.294 176.350 176.600 0.073 0.000 1.004 586 K CA -0.429 55.886 56.287 0.046 0.000 0.919 586 K CB 0.494 33.026 32.500 0.053 0.000 1.045 586 K HN 0.362 nan 8.250 nan 0.000 0.471 587 N N 0.162 118.905 118.700 0.071 0.000 2.698 587 N HA -0.250 4.490 4.740 -0.000 0.000 0.258 587 N C -1.234 174.339 175.510 0.104 0.000 0.978 587 N CA 0.822 53.929 53.050 0.095 0.000 0.777 587 N CB -1.290 37.271 38.487 0.123 0.000 0.907 587 N HN 0.441 nan 8.380 nan 0.000 0.543 588 K N -0.112 120.322 120.400 0.056 0.000 2.174 588 K HA 0.334 4.654 4.320 -0.000 0.000 0.275 588 K C 0.063 176.688 176.600 0.043 0.000 1.015 588 K CA -1.064 55.249 56.287 0.044 0.000 0.933 588 K CB 0.785 33.258 32.500 -0.046 0.000 1.025 588 K HN 0.165 nan 8.250 nan 0.000 0.463 589 L N 2.302 123.561 121.223 0.060 0.000 2.410 589 L HA 0.133 4.473 4.340 -0.000 0.000 0.273 589 L C -0.353 176.495 176.870 -0.037 0.000 1.144 589 L CA 1.180 56.039 54.840 0.033 0.000 0.863 589 L CB 0.875 42.971 42.059 0.061 0.000 1.140 589 L HN 0.505 nan 8.230 nan 0.000 0.463 590 T N 3.243 117.756 114.554 -0.068 0.000 2.952 590 T HA 0.180 4.530 4.350 -0.000 0.000 0.305 590 T C 0.378 174.994 174.700 -0.141 0.000 1.064 590 T CA -0.285 61.766 62.100 -0.082 0.000 1.008 590 T CB 1.876 70.721 68.868 -0.039 0.000 1.078 590 T HN 0.683 nan 8.240 nan 0.000 0.459 591 Q N 2.136 121.852 119.800 -0.141 0.000 2.096 591 Q HA -0.098 4.242 4.340 -0.000 0.000 0.204 591 Q C 2.176 178.100 176.000 -0.127 0.000 0.982 591 Q CA 2.631 58.314 55.803 -0.199 0.000 0.850 591 Q CB -0.260 28.424 28.738 -0.091 0.000 0.901 591 Q HN 0.721 nan 8.270 nan 0.000 0.422 592 S N -0.895 114.820 115.700 0.025 0.000 2.481 592 S HA -0.066 4.404 4.470 -0.000 0.000 0.231 592 S C 1.686 176.330 174.600 0.074 0.000 0.996 592 S CA 0.783 59.059 58.200 0.126 0.000 0.942 592 S CB -0.131 63.143 63.200 0.123 0.000 0.768 592 S HN 0.325 nan 8.310 nan 0.000 0.520 593 K N 1.087 121.489 120.400 0.002 0.000 2.057 593 K HA 0.117 4.437 4.320 -0.000 0.000 0.206 593 K C 1.997 178.591 176.600 -0.009 0.000 1.050 593 K CA 1.491 57.791 56.287 0.021 0.000 0.935 593 K CB -0.382 32.135 32.500 0.029 0.000 0.715 593 K HN 0.424 nan 8.250 nan 0.000 0.439 594 I N -0.508 119.936 120.570 -0.210 0.000 2.127 594 I HA -0.290 3.880 4.170 -0.000 0.000 0.241 594 I C 2.000 177.940 176.117 -0.296 0.000 1.075 594 I CA 1.666 62.713 61.300 -0.421 0.000 1.334 594 I CB -0.592 36.845 38.000 -0.938 0.000 1.040 594 I HN 0.328 nan 8.210 nan 0.000 0.405 595 W N 1.298 122.559 121.300 -0.064 0.000 2.363 595 W HA -0.227 4.433 4.660 -0.000 0.000 0.296 595 W C 2.292 178.819 176.519 0.013 0.000 1.212 595 W CA 0.923 58.253 57.345 -0.025 0.000 1.260 595 W CB -0.432 29.022 29.460 -0.010 0.000 1.131 595 W HN 0.204 nan 8.180 nan 0.000 0.530 596 D N -0.089 120.443 120.400 0.220 0.000 2.144 596 D HA -0.162 4.478 4.640 -0.000 0.000 0.200 596 D C 2.007 178.395 176.300 0.145 0.000 0.978 596 D CA 1.213 55.314 54.000 0.168 0.000 0.833 596 D CB -0.116 40.762 40.800 0.131 0.000 0.961 596 D HN -0.091 nan 8.370 nan 0.000 0.470 597 V N -0.320 119.670 119.914 0.128 0.000 2.295 597 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 597 V C 2.598 178.748 176.094 0.093 0.000 1.049 597 V CA 1.257 63.633 62.300 0.127 0.000 1.024 597 V CB -0.373 31.545 31.823 0.158 0.000 0.648 597 V HN 0.136 nan 8.190 nan 0.000 0.447 598 V N -0.329 119.592 119.914 0.013 0.000 2.332 598 V HA -0.306 3.813 4.120 -0.000 0.000 0.248 598 V C 2.350 178.579 176.094 0.224 0.000 1.055 598 V CA 2.353 64.695 62.300 0.069 0.000 1.038 598 V CB -0.548 31.375 31.823 0.166 0.000 0.651 598 V HN 0.604 nan 8.190 nan 0.000 0.450 599 E N -0.818 119.516 120.200 0.224 0.000 2.358 599 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 599 E C 2.120 178.817 176.600 0.161 0.000 1.010 599 E CA 0.292 56.816 56.400 0.206 0.000 0.856 599 E CB 0.094 29.916 29.700 0.204 0.000 0.795 599 E HN 0.512 nan 8.360 nan 0.000 0.504 600 K N -0.340 120.153 120.400 0.155 0.000 2.296 600 K HA 0.035 4.355 4.320 -0.000 0.000 0.200 600 K C 1.477 178.169 176.600 0.154 0.000 1.048 600 K CA 0.742 57.108 56.287 0.131 0.000 0.966 600 K CB 0.294 32.867 32.500 0.120 0.000 0.754 600 K HN -0.021 nan 8.250 nan 0.000 0.466 601 A N 1.174 124.126 122.820 0.219 0.000 2.278 601 A HA -0.016 4.304 4.320 -0.000 0.000 0.212 601 A C -0.092 177.616 177.584 0.206 0.000 1.213 601 A CA -0.113 52.072 52.037 0.247 0.000 0.840 601 A CB -0.211 19.043 19.000 0.423 0.000 0.866 601 A HN 0.167 nan 8.150 nan 0.000 0.489 602 D N 0.466 120.974 120.400 0.180 0.000 2.425 602 D HA 0.138 4.778 4.640 -0.000 0.000 0.247 602 D C 1.280 177.657 176.300 0.128 0.000 1.147 602 D CA -0.018 54.083 54.000 0.167 0.000 0.879 602 D CB 0.405 41.300 40.800 0.158 0.000 1.179 602 D HN 0.417 nan 8.370 nan 0.000 0.456 603 I N 0.840 121.488 120.570 0.131 0.000 3.564 603 I HA 0.313 4.483 4.170 -0.000 0.000 0.294 603 I C 0.888 177.066 176.117 0.102 0.000 1.289 603 I CA -0.355 61.007 61.300 0.103 0.000 1.325 603 I CB -0.104 37.953 38.000 0.096 0.000 1.039 603 I HN 0.218 nan 8.210 nan 0.000 0.474 604 G N 0.073 108.940 108.800 0.112 0.000 2.348 604 G HA2 0.443 4.403 3.960 -0.000 0.000 0.312 604 G HA3 0.443 4.403 3.960 -0.000 0.000 0.312 604 G C -0.031 174.906 174.900 0.060 0.000 1.126 604 G CA -0.447 44.714 45.100 0.101 0.000 0.865 604 G HN 0.429 nan 8.290 nan 0.000 0.474 605 c N 0.689 119.317 118.600 0.046 0.000 3.336 605 c HA 0.396 4.966 4.570 -0.000 0.000 0.291 605 c C 0.812 174.899 174.090 -0.005 0.000 1.363 605 c CA -0.330 56.010 56.329 0.018 0.000 1.737 605 c CB -0.938 41.594 42.510 0.037 0.000 2.274 605 c HN 0.634 nan 8.230 nan 0.000 0.663 606 T N 2.635 117.190 114.554 0.002 0.000 2.881 606 T HA 0.311 4.661 4.350 -0.000 0.000 0.290 606 T C -2.050 172.632 174.700 -0.028 0.000 1.000 606 T CA -0.449 61.658 62.100 0.012 0.000 0.978 606 T CB 2.232 71.158 68.868 0.096 0.000 0.997 606 T HN -0.072 nan 8.240 nan 0.000 0.443 607 P HA 0.193 nan 4.420 nan 0.000 0.239 607 P C 0.552 177.910 177.300 0.096 0.000 1.184 607 P CA 0.448 63.510 63.100 -0.063 0.000 0.760 607 P CB -0.009 31.623 31.700 -0.113 0.000 0.884 608 G N -2.300 106.564 108.800 0.107 0.000 2.345 608 G HA2 0.295 4.255 3.960 -0.000 0.000 0.310 608 G HA3 0.295 4.255 3.960 -0.000 0.000 0.310 608 G C -0.630 174.372 174.900 0.169 0.000 1.476 608 G CA -0.049 45.119 45.100 0.113 0.000 0.978 608 G HN 0.084 nan 8.290 nan 0.000 0.656 609 S N -2.084 113.688 115.700 0.121 0.000 3.307 609 S HA 0.386 4.856 4.470 -0.000 0.000 0.634 609 S C 0.871 175.567 174.600 0.160 0.000 2.711 609 S CA 1.960 60.254 58.200 0.157 0.000 2.940 609 S CB -0.917 62.441 63.200 0.264 0.000 0.331 609 S HN 2.971 nan 8.310 nan 0.000 1.766 610 G N -0.474 108.344 108.800 0.030 0.000 2.349 610 G HA2 0.478 4.438 3.960 -0.000 0.000 0.294 610 G HA3 0.478 4.438 3.960 -0.000 0.000 0.294 610 G C -0.105 174.210 174.900 -0.976 0.000 1.380 610 G CA 0.323 45.144 45.100 -0.464 0.000 0.811 610 G HN 0.919 nan 8.290 nan 0.000 0.519 611 K N -0.887 118.869 120.400 -1.072 0.000 2.097 611 K HA 0.159 4.479 4.320 -0.000 0.000 0.205 611 K C 0.570 176.799 176.600 -0.618 0.000 1.050 611 K CA 1.970 57.808 56.287 -0.748 0.000 0.938 611 K CB -0.134 32.117 32.500 -0.415 0.000 0.718 611 K HN 0.599 nan 8.250 nan 0.000 0.442 612 D N -1.584 118.455 120.400 -0.602 0.000 2.895 612 D HA 0.011 4.651 4.640 -0.000 0.000 0.320 612 D C 0.855 176.912 176.300 -0.405 0.000 1.249 612 D CA -0.721 52.819 54.000 -0.767 0.000 0.997 612 D CB -0.248 40.222 40.800 -0.550 0.000 1.430 612 D HN 0.036 nan 8.370 nan 0.000 0.558 613 Y N -1.045 119.133 120.300 -0.204 0.000 2.200 613 Y HA 0.212 4.762 4.550 -0.000 0.000 0.290 613 Y C 2.173 178.159 175.900 0.142 0.000 1.137 613 Y CA 1.394 59.524 58.100 0.049 0.000 1.163 613 Y CB -1.042 37.446 38.460 0.045 0.000 0.988 613 Y HN 0.360 nan 8.280 nan 0.000 0.518 614 A N 1.280 123.710 122.820 -0.650 0.000 2.015 614 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 614 A C 2.387 179.919 177.584 -0.085 0.000 1.163 614 A CA 1.281 53.133 52.037 -0.309 0.000 0.646 614 A CB -1.525 17.149 19.000 -0.543 0.000 0.806 614 A HN 0.644 nan 8.150 nan 0.000 0.448 615 G N -0.342 108.359 108.800 -0.165 0.000 2.414 615 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.215 615 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.215 615 G C 1.522 176.411 174.900 -0.018 0.000 1.188 615 G CA 1.118 46.154 45.100 -0.107 0.000 0.783 615 G HN 0.253 nan 8.290 nan 0.000 0.537 616 V N 0.580 120.482 119.914 -0.020 0.000 2.250 616 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 616 V C 2.582 178.655 176.094 -0.036 0.000 1.060 616 V CA 2.133 64.412 62.300 -0.035 0.000 1.030 616 V CB -0.660 31.116 31.823 -0.079 0.000 0.643 616 V HN 0.330 nan 8.190 nan 0.000 0.445 617 F N 0.152 120.128 119.950 0.042 0.000 2.069 617 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 617 F C 2.789 178.633 175.800 0.073 0.000 1.113 617 F CA 2.123 60.163 58.000 0.067 0.000 1.214 617 F CB -0.846 38.200 39.000 0.076 0.000 0.978 617 F HN 0.011 nan 8.300 nan 0.000 0.474 618 S N -0.483 115.364 115.700 0.246 0.000 2.371 618 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 618 S C 1.639 176.312 174.600 0.123 0.000 1.029 618 S CA 1.236 59.532 58.200 0.160 0.000 0.978 618 S CB -0.355 62.910 63.200 0.108 0.000 0.833 618 S HN 0.285 nan 8.310 nan 0.000 0.466 619 D N 1.807 122.267 120.400 0.101 0.000 2.133 619 D HA -0.078 4.561 4.640 -0.000 0.000 0.195 619 D C 1.900 178.262 176.300 0.104 0.000 0.997 619 D CA 1.327 55.384 54.000 0.095 0.000 0.840 619 D CB -0.387 40.471 40.800 0.097 0.000 0.947 619 D HN 0.409 nan 8.370 nan 0.000 0.452 620 A N -0.566 122.322 122.820 0.114 0.000 2.168 620 A HA 0.322 4.642 4.320 -0.000 0.000 0.215 620 A C 1.681 179.355 177.584 0.150 0.000 1.152 620 A CA 1.369 53.484 52.037 0.130 0.000 0.716 620 A CB -0.245 18.824 19.000 0.116 0.000 0.794 620 A HN 0.328 nan 8.150 nan 0.000 0.465 621 G N -1.616 107.273 108.800 0.149 0.000 2.167 621 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.194 621 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.194 621 G C -0.281 174.718 174.900 0.165 0.000 1.027 621 G CA 0.094 45.281 45.100 0.144 0.000 0.717 621 G HN 0.469 nan 8.290 nan 0.000 0.501 622 L N 0.650 121.996 121.223 0.206 0.000 2.388 622 L HA 0.740 5.080 4.340 -0.000 0.000 0.264 622 L C 0.622 177.626 176.870 0.223 0.000 0.998 622 L CA -0.700 54.286 54.840 0.242 0.000 0.817 622 L CB 2.411 44.689 42.059 0.366 0.000 1.338 622 L HN 0.321 nan 8.230 nan 0.000 0.414 623 T N -1.106 113.539 114.554 0.152 0.000 2.837 623 T HA 0.576 4.926 4.350 -0.000 0.000 0.285 623 T C -0.823 173.881 174.700 0.005 0.000 0.984 623 T CA -0.426 61.721 62.100 0.079 0.000 1.049 623 T CB 1.363 70.259 68.868 0.047 0.000 0.947 623 T HN 0.314 nan 8.240 nan 0.000 0.472 624 F N 2.415 122.186 119.950 -0.299 0.000 2.507 624 F HA 0.644 5.171 4.527 -0.000 0.000 0.325 624 F C -0.729 174.920 175.800 -0.252 0.000 1.116 624 F CA -0.323 57.374 58.000 -0.506 0.000 0.930 624 F CB 2.008 40.269 39.000 -1.232 0.000 1.146 624 F HN 0.828 nan 8.300 nan 0.000 0.447 625 T N 3.132 117.123 114.554 -0.937 0.000 2.952 625 T HA 0.599 4.949 4.350 -0.000 0.000 0.305 625 T C -1.028 173.244 174.700 -0.713 0.000 1.064 625 T CA -0.918 60.817 62.100 -0.609 0.000 1.008 625 T CB 1.444 70.146 68.868 -0.275 0.000 1.078 625 T HN 0.670 nan 8.240 nan 0.000 0.459 626 S N 0.240 115.672 115.700 -0.447 0.000 2.595 626 S HA 0.575 5.045 4.470 -0.000 0.000 0.281 626 S C 1.207 175.749 174.600 -0.097 0.000 1.117 626 S CA -0.193 57.849 58.200 -0.264 0.000 0.873 626 S CB 1.708 64.790 63.200 -0.196 0.000 1.108 626 S HN 0.797 nan 8.310 nan 0.000 0.477 627 S N 1.275 116.954 115.700 -0.036 0.000 2.474 627 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 627 S C 1.335 175.937 174.600 0.003 0.000 0.997 627 S CA 1.067 59.264 58.200 -0.004 0.000 0.949 627 S CB -0.784 62.441 63.200 0.042 0.000 0.766 627 S HN 0.657 nan 8.310 nan 0.000 0.517 628 S N 0.681 116.384 115.700 0.005 0.000 2.562 628 S HA 0.427 4.897 4.470 -0.000 0.000 0.221 628 S C 1.394 176.000 174.600 0.010 0.000 0.975 628 S CA 0.378 58.583 58.200 0.009 0.000 0.918 628 S CB -0.053 63.154 63.200 0.011 0.000 0.772 628 S HN 1.089 nan 8.310 nan 0.000 0.531 629 G N 1.232 110.035 108.800 0.004 0.000 2.130 629 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 629 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 629 G C -0.365 174.567 174.900 0.053 0.000 0.999 629 G CA -0.572 44.535 45.100 0.012 0.000 0.686 629 G HN 0.415 nan 8.290 nan 0.000 0.515 630 Q N 0.510 120.360 119.800 0.084 0.000 2.296 630 Q HA 0.616 4.955 4.340 -0.000 0.000 0.257 630 Q C 0.373 176.513 176.000 0.233 0.000 0.942 630 Q CA 0.148 56.091 55.803 0.233 0.000 0.939 630 Q CB 0.972 29.867 28.738 0.262 0.000 1.198 630 Q HN 0.815 nan 8.270 nan 0.000 0.429 631 Q N -0.379 119.579 119.800 0.263 0.000 2.534 631 Q HA 0.645 4.985 4.340 -0.000 0.000 0.290 631 Q C -1.049 175.020 176.000 0.114 0.000 0.991 631 Q CA -1.156 54.734 55.803 0.146 0.000 0.783 631 Q CB 0.880 29.615 28.738 -0.005 0.000 1.470 631 Q HN 0.500 nan 8.270 nan 0.000 0.406 632 T N -0.933 113.663 114.554 0.071 0.000 2.907 632 T HA 0.621 4.971 4.350 -0.000 0.000 0.298 632 T C 0.509 175.208 174.700 -0.002 0.000 1.017 632 T CA -0.202 61.915 62.100 0.029 0.000 1.118 632 T CB 0.965 69.872 68.868 0.066 0.000 0.948 632 T HN 0.738 nan 8.240 nan 0.000 0.531 633 A N 3.004 125.812 122.820 -0.019 0.000 2.425 633 A HA 0.289 4.609 4.320 -0.000 0.000 0.242 633 A C 0.774 178.358 177.584 -0.000 0.000 1.077 633 A CA -0.600 51.424 52.037 -0.021 0.000 0.781 633 A CB -0.047 18.935 19.000 -0.030 0.000 1.020 633 A HN 0.808 nan 8.150 nan 0.000 0.494 634 Q N 0.762 120.556 119.800 -0.010 0.000 2.255 634 Q HA 0.035 4.375 4.340 -0.000 0.000 0.280 634 Q C 0.135 176.176 176.000 0.068 0.000 1.068 634 Q CA 0.604 56.413 55.803 0.010 0.000 0.911 634 Q CB 0.452 29.159 28.738 -0.053 0.000 1.157 634 Q HN 0.639 nan 8.270 nan 0.000 0.380 635 R N 1.921 122.491 120.500 0.117 0.000 2.207 635 R HA 0.425 4.765 4.340 -0.000 0.000 0.334 635 R C -0.003 176.430 176.300 0.222 0.000 1.013 635 R CA 0.143 56.319 56.100 0.127 0.000 0.858 635 R CB 0.531 30.884 30.300 0.089 0.000 1.094 635 R HN 0.652 nan 8.270 nan 0.000 0.457 636 A N 3.819 126.767 122.820 0.212 0.000 2.259 636 A HA 0.126 4.446 4.320 -0.000 0.000 0.213 636 A C 0.155 177.800 177.584 0.102 0.000 1.209 636 A CA -0.063 52.155 52.037 0.302 0.000 0.910 636 A CB 0.363 19.561 19.000 0.329 0.000 0.946 636 A HN 0.651 nan 8.150 nan 0.000 0.497 637 E N 0.194 120.433 120.200 0.065 0.000 2.194 637 E HA 0.438 4.788 4.350 -0.000 0.000 0.284 637 E C 0.512 177.112 176.600 -0.000 0.000 1.035 637 E CA -0.200 56.218 56.400 0.030 0.000 0.836 637 E CB 0.769 30.491 29.700 0.037 0.000 1.070 637 E HN 0.325 nan 8.360 nan 0.000 0.401 638 L N 2.585 123.795 121.223 -0.021 0.000 2.622 638 L HA -0.029 4.311 4.340 -0.000 0.000 0.233 638 L C 0.392 177.258 176.870 -0.007 0.000 1.156 638 L CA 0.638 55.459 54.840 -0.033 0.000 0.866 638 L CB -0.034 41.996 42.059 -0.047 0.000 0.980 638 L HN 0.500 nan 8.230 nan 0.000 0.448 639 Q N -1.835 117.969 119.800 0.007 0.000 2.421 639 Q HA 0.337 4.677 4.340 -0.000 0.000 0.280 639 Q C -1.135 174.881 176.000 0.026 0.000 1.085 639 Q CA -0.444 55.370 55.803 0.018 0.000 0.807 639 Q CB 2.329 31.075 28.738 0.012 0.000 1.405 639 Q HN -0.024 nan 8.270 nan 0.000 0.419 640 c N 4.059 122.678 118.600 0.032 0.000 2.632 640 c HA 0.329 4.899 4.570 -0.000 0.000 0.415 640 c C -1.860 172.247 174.090 0.029 0.000 1.332 640 c CA -0.948 55.401 56.329 0.034 0.000 1.874 640 c CB -0.516 42.015 42.510 0.034 0.000 2.596 640 c HN 0.594 nan 8.230 nan 0.000 0.590 641 P HA 0.152 nan 4.420 nan 0.000 0.258 641 P C -0.407 176.909 177.300 0.026 0.000 1.172 641 P CA 0.793 63.911 63.100 0.030 0.000 0.762 641 P CB 0.495 32.217 31.700 0.036 0.000 0.764 642 Q N 0.000 119.813 119.800 0.022 0.000 2.315 642 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 642 Q CA 0.000 55.815 55.803 0.019 0.000 1.022 642 Q CB 0.000 28.749 28.738 0.018 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481