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 3hxl_1_A DATA FIRST_RESID 15 DATA SEQUENCE GVYINFKSEP QXXXXLGERG IVSXPLILSW GEPGKXITIE AGDDVFPKLG DATA SEQUENCE YSIXDAQLRL INEALKRAKT LLLYRLNAGT KAAVTVGNLT VTAKWGGARG DATA SEQUENCE NDITLVIQEN IDDETKFDVS TLVDGAELDK QTVSDIAGLA ANDWVIFSGT DATA SEQUENCE GALTETAGAP LINGSDGAVT NQAYIDYLAA VEIFDFNTIA LPSTDDALKA DATA SEQUENCE TFTAFAKRLR DDEGKKIQVV LENYPAADYE GVISVKNGVV LADGTILTAA DATA SEQUENCE QATAWVAGAT AGARVNESLT YQGYDEAVDV APRYTNAQII AALQAGEFLF DATA SEQUENCE TASDNQALVE QDINTLTSFT ADKGKQFAKN RVIRVLDGIN NDFVRIFSKF DATA SEQUENCE YXXXXSNNAD GRNLLKSECI NYXNTLQDID AIKNFDGQTD LTVQSXXDVD DATA SEQUENCE AVYIEAYAWP VDSIEKIYVR VRIKL 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 15 G HA2 0.000 nan 3.960 nan 0.000 0.244 15 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 15 G C 0.000 174.925 174.900 0.042 0.000 0.946 15 G CA 0.000 45.118 45.100 0.030 0.000 0.502 16 V N 0.676 120.625 119.914 0.057 0.000 2.524 16 V HA 0.513 4.633 4.120 -0.000 0.000 0.297 16 V C -1.543 174.619 176.094 0.113 0.000 1.035 16 V CA -0.643 61.694 62.300 0.061 0.000 0.867 16 V CB 1.393 33.234 31.823 0.029 0.000 1.004 16 V HN 0.809 nan 8.190 nan 0.000 0.426 17 Y N 6.349 126.633 120.300 -0.026 0.000 2.331 17 Y HA 0.781 5.331 4.550 -0.000 0.000 0.338 17 Y C -0.619 175.241 175.900 -0.067 0.000 0.976 17 Y CA -1.297 56.784 58.100 -0.032 0.000 1.137 17 Y CB 1.250 39.693 38.460 -0.028 0.000 1.172 17 Y HN 0.577 nan 8.280 nan 0.000 0.478 18 I N 6.482 126.693 120.570 -0.597 0.000 2.509 18 I HA 0.417 4.587 4.170 -0.000 0.000 0.293 18 I C -1.266 174.333 176.117 -0.863 0.000 1.020 18 I CA -0.912 59.978 61.300 -0.683 0.000 1.088 18 I CB 2.122 39.881 38.000 -0.402 0.000 1.267 18 I HN 0.754 nan 8.210 nan 0.000 0.430 19 N N 4.444 122.611 118.700 -0.889 0.000 2.242 19 N HA 0.691 5.431 4.740 -0.000 0.000 0.292 19 N C -1.658 173.454 175.510 -0.662 0.000 1.125 19 N CA -0.662 52.037 53.050 -0.584 0.000 0.783 19 N CB 1.598 39.852 38.487 -0.388 0.000 1.558 19 N HN 0.226 nan 8.380 nan 0.000 0.472 20 F N -0.290 119.604 119.950 -0.093 0.000 2.546 20 F HA 0.615 5.142 4.527 -0.000 0.000 0.320 20 F C 0.076 175.853 175.800 -0.038 0.000 1.076 20 F CA -0.649 57.314 58.000 -0.061 0.000 0.928 20 F CB 2.387 41.356 39.000 -0.051 0.000 1.189 20 F HN 0.294 nan 8.300 nan 0.000 0.465 21 K N 0.983 121.464 120.400 0.135 0.000 2.501 21 K HA 0.474 4.794 4.320 -0.000 0.000 0.252 21 K C -1.020 175.616 176.600 0.060 0.000 0.934 21 K CA -0.888 55.444 56.287 0.075 0.000 0.797 21 K CB 2.520 35.041 32.500 0.035 0.000 1.270 21 K HN 0.569 nan 8.250 nan 0.000 0.431 22 S N 1.313 117.037 115.700 0.040 0.000 2.573 22 S HA 0.007 4.477 4.470 -0.000 0.000 0.277 22 S C 0.046 174.654 174.600 0.014 0.000 1.346 22 S CA 0.028 58.241 58.200 0.022 0.000 1.034 22 S CB 0.481 63.686 63.200 0.009 0.000 0.879 22 S HN 0.534 nan 8.310 nan 0.000 0.528 23 E N 2.570 122.773 120.200 0.005 0.000 3.037 23 E HA 0.296 4.646 4.350 -0.000 0.000 0.220 23 E C -2.195 174.399 176.600 -0.010 0.000 1.142 23 E CA -1.805 54.595 56.400 0.001 0.000 0.888 23 E CB 0.087 29.789 29.700 0.004 0.000 1.329 23 E HN 0.381 nan 8.360 nan 0.000 0.409 24 P HA 0.004 nan 4.420 nan 0.000 0.267 24 P C -0.461 176.821 177.300 -0.029 0.000 1.201 24 P CA -0.125 62.958 63.100 -0.028 0.000 0.775 24 P CB 1.105 32.792 31.700 -0.022 0.000 0.854 31 G N 1.575 110.429 108.800 0.090 0.000 2.664 31 G HA2 0.358 4.318 3.960 -0.000 0.000 0.242 31 G HA3 0.358 4.318 3.960 -0.000 0.000 0.242 31 G C -0.479 174.436 174.900 0.025 0.000 1.225 31 G CA -0.173 44.955 45.100 0.047 0.000 0.849 31 G HN 0.632 nan 8.290 nan 0.000 0.581 32 E N 0.052 120.263 120.200 0.019 0.000 2.166 32 E HA 0.331 4.681 4.350 -0.000 0.000 0.275 32 E C 0.383 176.989 176.600 0.009 0.000 0.941 32 E CA -0.450 55.959 56.400 0.014 0.000 0.784 32 E CB 2.165 31.876 29.700 0.020 0.000 1.115 32 E HN 0.445 nan 8.360 nan 0.000 0.399 33 R N 0.641 121.143 120.500 0.004 0.000 2.103 33 R HA 0.467 4.807 4.340 -0.000 0.000 0.155 33 R C 0.890 177.198 176.300 0.013 0.000 1.173 33 R CA 0.006 56.108 56.100 0.003 0.000 1.504 33 R CB -0.026 30.269 30.300 -0.008 0.000 1.742 33 R HN 0.734 nan 8.270 nan 0.000 0.595 34 G N 0.400 109.204 108.800 0.006 0.000 2.179 34 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 34 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 34 G C -0.012 174.903 174.900 0.024 0.000 0.977 34 G CA 0.077 45.180 45.100 0.005 0.000 0.641 34 G HN 0.292 nan 8.290 nan 0.000 0.533 35 I N 0.878 121.480 120.570 0.053 0.000 2.330 35 I HA 0.585 4.755 4.170 -0.000 0.000 0.289 35 I C 0.179 176.369 176.117 0.121 0.000 1.001 35 I CA -0.955 60.399 61.300 0.091 0.000 1.193 35 I CB 1.715 39.798 38.000 0.138 0.000 1.345 35 I HN -0.018 nan 8.210 nan 0.000 0.461 36 V N 5.669 125.629 119.914 0.077 0.000 2.815 36 V HA 0.684 4.804 4.120 -0.000 0.000 0.314 36 V C -0.319 175.794 176.094 0.032 0.000 1.064 36 V CA 0.029 62.371 62.300 0.071 0.000 0.952 36 V CB 2.308 34.142 31.823 0.017 0.000 1.020 36 V HN 0.817 nan 8.190 nan 0.000 0.439 40 L N 1.911 122.994 121.223 -0.233 0.000 2.371 40 L HA 0.600 4.940 4.340 -0.000 0.000 0.262 40 L C -0.065 176.715 176.870 -0.150 0.000 1.006 40 L CA -1.147 53.602 54.840 -0.153 0.000 0.818 40 L CB 2.430 44.424 42.059 -0.107 0.000 1.354 40 L HN 0.346 nan 8.230 nan 0.000 0.415 41 I N 2.885 123.396 120.570 -0.098 0.000 2.304 41 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 41 I C -0.319 175.765 176.117 -0.055 0.000 1.018 41 I CA -0.088 61.165 61.300 -0.079 0.000 1.260 41 I CB 0.914 38.891 38.000 -0.039 0.000 1.390 41 I HN 0.297 nan 8.210 nan 0.000 0.475 42 L N 4.287 125.478 121.223 -0.053 0.000 2.260 42 L HA 0.510 4.850 4.340 -0.000 0.000 0.265 42 L C 0.770 177.678 176.870 0.063 0.000 1.015 42 L CA -0.512 54.327 54.840 -0.002 0.000 0.826 42 L CB 1.753 43.804 42.059 -0.013 0.000 1.373 42 L HN 0.400 nan 8.230 nan 0.000 0.450 43 S N -0.689 115.120 115.700 0.182 0.000 2.578 43 S HA 0.207 4.677 4.470 -0.000 0.000 0.231 43 S C -0.652 174.225 174.600 0.462 0.000 0.994 43 S CA -0.323 58.048 58.200 0.285 0.000 0.956 43 S CB 0.238 63.639 63.200 0.335 0.000 0.870 43 S HN 0.527 nan 8.310 nan 0.000 0.494 44 W N 0.043 121.407 121.300 0.107 0.000 3.057 44 W HA 0.424 5.084 4.660 -0.000 0.000 0.328 44 W C -1.056 175.386 176.519 -0.129 0.000 1.232 44 W CA -0.078 57.298 57.345 0.053 0.000 1.187 44 W CB 0.917 30.419 29.460 0.071 0.000 1.417 44 W HN 0.280 nan 8.180 nan 0.000 0.569 45 G N 2.317 110.681 108.800 -0.726 0.000 2.587 45 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.686 45 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.686 45 G C -0.961 172.948 174.900 -1.651 0.000 1.236 45 G CA -0.477 44.024 45.100 -0.998 0.000 0.820 45 G HN 0.682 nan 8.290 nan 0.000 0.645 46 E N 1.822 120.875 120.200 -1.912 0.000 2.415 46 E HA 0.342 4.692 4.350 -0.000 0.000 0.260 46 E C -1.576 174.457 176.600 -0.944 0.000 1.016 46 E CA -0.985 54.301 56.400 -1.855 0.000 0.924 46 E CB 0.630 29.635 29.700 -1.158 0.000 0.961 46 E HN 0.333 nan 8.360 nan 0.000 0.459 47 P HA 0.181 nan 4.420 nan 0.000 0.284 47 P C 0.124 177.129 177.300 -0.491 0.000 1.258 47 P CA 0.067 62.854 63.100 -0.522 0.000 0.824 47 P CB 1.274 32.762 31.700 -0.354 0.000 1.038 48 G N 0.448 108.834 108.800 -0.690 0.000 2.321 48 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.287 48 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.287 48 G C 0.098 174.766 174.900 -0.385 0.000 1.018 48 G CA 1.136 45.837 45.100 -0.666 0.000 0.855 48 G HN 0.796 nan 8.290 nan 0.000 0.507 52 T N 6.564 121.101 114.554 -0.027 0.000 2.767 52 T HA 0.692 5.042 4.350 -0.000 0.000 0.284 52 T C -0.311 174.393 174.700 0.007 0.000 0.973 52 T CA -0.234 61.862 62.100 -0.006 0.000 0.996 52 T CB 0.878 69.775 68.868 0.049 0.000 0.927 52 T HN 0.252 nan 8.240 nan 0.000 0.456 53 I N 3.200 123.773 120.570 0.005 0.000 2.447 53 I HA 0.328 4.498 4.170 -0.000 0.000 0.287 53 I C -0.134 175.997 176.117 0.023 0.000 1.023 53 I CA -1.028 60.282 61.300 0.016 0.000 1.083 53 I CB 1.866 39.873 38.000 0.012 0.000 1.245 53 I HN 0.384 nan 8.210 nan 0.000 0.434 54 E N 4.248 124.466 120.200 0.031 0.000 2.277 54 E HA 0.468 4.818 4.350 -0.000 0.000 0.274 54 E C -0.073 176.546 176.600 0.031 0.000 1.022 54 E CA -0.601 55.818 56.400 0.031 0.000 0.853 54 E CB 1.723 31.444 29.700 0.035 0.000 1.086 54 E HN 0.649 nan 8.360 nan 0.000 0.397 55 A N 1.011 123.847 122.820 0.027 0.000 2.565 55 A HA 0.371 4.690 4.320 -0.000 0.000 0.237 55 A C 1.328 178.931 177.584 0.032 0.000 1.053 55 A CA 0.979 53.033 52.037 0.028 0.000 0.755 55 A CB -0.457 18.557 19.000 0.023 0.000 0.980 55 A HN 0.821 nan 8.150 nan 0.000 0.506 56 G N 1.888 110.710 108.800 0.036 0.000 2.241 56 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 56 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 56 G C 0.060 174.985 174.900 0.042 0.000 0.998 56 G CA 0.365 45.487 45.100 0.038 0.000 0.621 56 G HN 0.857 nan 8.290 nan 0.000 0.519 57 D N 1.255 121.682 120.400 0.044 0.000 2.423 57 D HA 0.407 5.047 4.640 -0.000 0.000 0.238 57 D C 0.257 176.595 176.300 0.063 0.000 1.142 57 D CA 0.111 54.141 54.000 0.050 0.000 0.884 57 D CB 0.797 41.626 40.800 0.047 0.000 1.199 57 D HN 0.249 nan 8.370 nan 0.000 0.438 58 D N 0.496 120.939 120.400 0.073 0.000 2.317 58 D HA 0.054 4.693 4.640 -0.000 0.000 0.252 58 D C 0.780 177.151 176.300 0.118 0.000 1.174 58 D CA -0.488 53.571 54.000 0.100 0.000 0.866 58 D CB 0.948 41.811 40.800 0.104 0.000 1.127 58 D HN 0.091 nan 8.370 nan 0.000 0.467 59 V N 2.415 122.415 119.914 0.143 0.000 3.621 59 V HA 0.160 4.279 4.120 -0.000 0.000 0.285 59 V C 1.793 177.999 176.094 0.186 0.000 1.346 59 V CA -0.119 62.263 62.300 0.137 0.000 1.104 59 V CB -0.914 30.981 31.823 0.120 0.000 0.913 59 V HN 0.417 nan 8.190 nan 0.000 0.432 60 F N 2.781 122.770 119.950 0.066 0.000 2.095 60 F HA 0.080 4.607 4.527 -0.000 0.000 0.298 60 F C -0.048 175.759 175.800 0.011 0.000 1.104 60 F CA 1.811 59.850 58.000 0.065 0.000 1.232 60 F CB -1.373 37.677 39.000 0.083 0.000 0.987 60 F HN 0.265 nan 8.300 nan 0.000 0.475 61 P HA -0.179 nan 4.420 nan 0.000 0.215 61 P C 1.282 178.524 177.300 -0.097 0.000 1.157 61 P CA 2.261 65.316 63.100 -0.076 0.000 0.868 61 P CB -0.033 31.690 31.700 0.039 0.000 0.788 62 K N -0.986 119.403 120.400 -0.018 0.000 2.098 62 K HA 0.090 4.409 4.320 -0.000 0.000 0.203 62 K C 1.720 178.327 176.600 0.012 0.000 1.051 62 K CA 0.945 57.230 56.287 -0.004 0.000 0.957 62 K CB -0.239 32.256 32.500 -0.009 0.000 0.738 62 K HN 0.142 nan 8.250 nan 0.000 0.447 63 L N -0.526 120.722 121.223 0.042 0.000 2.640 63 L HA 0.226 4.566 4.340 -0.000 0.000 0.230 63 L C 1.034 178.015 176.870 0.186 0.000 1.123 63 L CA 0.169 55.097 54.840 0.146 0.000 0.900 63 L CB 0.307 42.455 42.059 0.148 0.000 1.146 63 L HN 0.394 nan 8.230 nan 0.000 0.484 64 G N -0.186 108.491 108.800 -0.204 0.000 2.175 64 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.265 64 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.265 64 G C -0.091 174.448 174.900 -0.601 0.000 0.979 64 G CA 0.471 45.077 45.100 -0.824 0.000 0.663 64 G HN 0.344 nan 8.290 nan 0.000 0.533 65 Y N -0.505 119.793 120.300 -0.003 0.000 2.609 65 Y HA 0.721 5.270 4.550 -0.000 0.000 0.342 65 Y C 0.472 176.618 175.900 0.411 0.000 1.058 65 Y CA -0.402 57.841 58.100 0.238 0.000 1.055 65 Y CB 1.694 40.234 38.460 0.133 0.000 1.292 65 Y HN 0.200 nan 8.280 nan 0.000 0.476 66 S N 0.978 117.000 115.700 0.537 0.000 2.610 66 S HA 0.428 4.898 4.470 -0.000 0.000 0.273 66 S C -0.131 174.598 174.600 0.214 0.000 1.274 66 S CA -0.471 57.918 58.200 0.315 0.000 1.023 66 S CB 0.335 63.627 63.200 0.155 0.000 0.962 66 S HN 0.517 nan 8.310 nan 0.000 0.523 70 A N 1.860 124.654 122.820 -0.043 0.000 1.997 70 A HA -0.286 4.034 4.320 -0.000 0.000 0.221 70 A C 1.748 179.262 177.584 -0.116 0.000 1.172 70 A CA 1.915 53.915 52.037 -0.061 0.000 0.645 70 A CB -0.283 18.688 19.000 -0.050 0.000 0.813 70 A HN 0.522 nan 8.150 nan 0.000 0.454 71 Q N -0.658 119.002 119.800 -0.233 0.000 2.226 71 Q HA 0.036 4.375 4.340 -0.000 0.000 0.204 71 Q C 1.302 177.162 176.000 -0.233 0.000 0.975 71 Q CA 1.056 56.650 55.803 -0.348 0.000 0.866 71 Q CB -0.225 27.990 28.738 -0.871 0.000 0.915 71 Q HN 0.698 nan 8.270 nan 0.000 0.440 72 L N -0.225 120.909 121.223 -0.147 0.000 2.818 72 L HA 0.258 4.598 4.340 -0.000 0.000 0.243 72 L C 1.593 178.455 176.870 -0.013 0.000 1.185 72 L CA -0.330 54.479 54.840 -0.051 0.000 0.988 72 L CB 0.128 42.196 42.059 0.015 0.000 1.292 72 L HN 0.065 nan 8.230 nan 0.000 0.519 73 R N 1.703 122.190 120.500 -0.022 0.000 2.133 73 R HA -0.210 4.129 4.340 -0.000 0.000 0.245 73 R C 1.892 178.212 176.300 0.033 0.000 1.137 73 R CA 2.103 58.209 56.100 0.009 0.000 0.947 73 R CB -0.708 29.591 30.300 -0.001 0.000 0.865 73 R HN 0.360 nan 8.270 nan 0.000 0.437 74 L N -0.314 120.922 121.223 0.022 0.000 2.131 74 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 74 L C 2.493 179.387 176.870 0.040 0.000 1.092 74 L CA 1.303 56.166 54.840 0.040 0.000 0.759 74 L CB -0.449 41.621 42.059 0.018 0.000 0.903 74 L HN 0.227 nan 8.230 nan 0.000 0.435 75 I N -0.128 120.456 120.570 0.024 0.000 2.252 75 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 75 I C 2.541 178.683 176.117 0.042 0.000 1.102 75 I CA 1.210 62.525 61.300 0.024 0.000 1.385 75 I CB -0.477 37.535 38.000 0.020 0.000 1.064 75 I HN 0.420 nan 8.210 nan 0.000 0.414 76 N N 0.976 119.707 118.700 0.051 0.000 2.084 76 N HA -0.219 4.521 4.740 -0.000 0.000 0.190 76 N C 1.710 177.273 175.510 0.088 0.000 1.030 76 N CA 1.471 54.560 53.050 0.065 0.000 0.849 76 N CB 0.100 38.624 38.487 0.063 0.000 1.012 76 N HN 0.266 nan 8.380 nan 0.000 0.423 77 E N 0.944 121.212 120.200 0.113 0.000 2.077 77 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 77 E C 1.970 178.654 176.600 0.140 0.000 0.989 77 E CA 0.948 57.456 56.400 0.179 0.000 0.800 77 E CB -0.588 29.252 29.700 0.234 0.000 0.746 77 E HN 0.485 nan 8.360 nan 0.000 0.452 78 A N 1.012 123.878 122.820 0.076 0.000 1.972 78 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 78 A C 2.191 179.763 177.584 -0.020 0.000 1.169 78 A CA 0.936 52.980 52.037 0.011 0.000 0.635 78 A CB -0.533 18.473 19.000 0.010 0.000 0.810 78 A HN 0.192 nan 8.150 nan 0.000 0.446 79 L N -1.043 120.188 121.223 0.014 0.000 2.612 79 L HA 0.049 4.389 4.340 -0.000 0.000 0.230 79 L C 1.952 178.832 176.870 0.016 0.000 1.140 79 L CA 0.174 55.019 54.840 0.008 0.000 0.896 79 L CB -0.099 41.975 42.059 0.024 0.000 1.065 79 L HN 0.343 nan 8.230 nan 0.000 0.447 80 K N -0.162 120.257 120.400 0.032 0.000 2.103 80 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 80 K C 1.766 178.369 176.600 0.005 0.000 1.052 80 K CA 0.862 57.191 56.287 0.071 0.000 0.945 80 K CB 0.243 32.869 32.500 0.210 0.000 0.722 80 K HN 0.178 nan 8.250 nan 0.000 0.443 81 R N -0.932 119.499 120.500 -0.115 0.000 2.369 81 R HA 0.265 4.605 4.340 -0.000 0.000 0.210 81 R C 0.295 176.523 176.300 -0.119 0.000 0.881 81 R CA 0.089 56.097 56.100 -0.154 0.000 1.031 81 R CB 0.610 30.697 30.300 -0.355 0.000 1.184 81 R HN -0.004 nan 8.270 nan 0.000 0.581 82 A N 1.585 124.342 122.820 -0.105 0.000 2.302 82 A HA 0.366 4.686 4.320 -0.000 0.000 0.285 82 A C 0.722 178.292 177.584 -0.023 0.000 1.105 82 A CA -0.248 51.752 52.037 -0.061 0.000 0.816 82 A CB 0.808 19.777 19.000 -0.053 0.000 1.067 82 A HN -0.112 nan 8.150 nan 0.000 0.489 83 K N 0.084 120.480 120.400 -0.007 0.000 2.308 83 K HA 0.134 4.454 4.320 -0.000 0.000 0.197 83 K C -0.160 176.451 176.600 0.018 0.000 1.049 83 K CA 1.037 57.329 56.287 0.008 0.000 0.991 83 K CB 0.274 32.781 32.500 0.013 0.000 0.836 83 K HN 0.680 nan 8.250 nan 0.000 0.500 84 T N 1.444 116.011 114.554 0.021 0.000 2.916 84 T HA 0.425 4.775 4.350 -0.000 0.000 0.298 84 T C -1.398 173.315 174.700 0.021 0.000 1.031 84 T CA -0.677 61.440 62.100 0.028 0.000 0.993 84 T CB 1.995 70.891 68.868 0.047 0.000 1.045 84 T HN -0.079 nan 8.240 nan 0.000 0.454 85 L N 3.746 124.974 121.223 0.009 0.000 2.333 85 L HA 0.657 4.996 4.340 -0.000 0.000 0.280 85 L C -1.442 175.406 176.870 -0.036 0.000 1.004 85 L CA -0.659 54.176 54.840 -0.008 0.000 0.820 85 L CB 0.973 43.028 42.059 -0.008 0.000 1.247 85 L HN 0.623 nan 8.230 nan 0.000 0.416 86 L N 6.265 127.447 121.223 -0.069 0.000 2.272 86 L HA 0.416 4.756 4.340 -0.000 0.000 0.284 86 L C -0.692 176.115 176.870 -0.104 0.000 1.045 86 L CA -0.577 54.169 54.840 -0.158 0.000 0.842 86 L CB 1.271 43.154 42.059 -0.294 0.000 1.224 86 L HN 0.526 nan 8.230 nan 0.000 0.430 87 L N 4.151 125.323 121.223 -0.085 0.000 2.307 87 L HA 0.442 4.782 4.340 -0.000 0.000 0.282 87 L C -1.207 175.653 176.870 -0.018 0.000 1.051 87 L CA -0.102 54.704 54.840 -0.057 0.000 0.804 87 L CB 1.208 43.225 42.059 -0.071 0.000 1.197 87 L HN 0.349 nan 8.230 nan 0.000 0.431 88 Y N 4.853 125.048 120.300 -0.176 0.000 2.326 88 Y HA 0.469 5.019 4.550 -0.000 0.000 0.329 88 Y C -0.401 175.358 175.900 -0.235 0.000 0.973 88 Y CA -0.757 57.242 58.100 -0.169 0.000 1.162 88 Y CB 0.905 39.344 38.460 -0.035 0.000 1.147 88 Y HN 0.690 nan 8.280 nan 0.000 0.456 89 R N 6.551 126.757 120.500 -0.490 0.000 2.216 89 R HA 0.257 4.597 4.340 -0.000 0.000 0.332 89 R C -0.088 175.935 176.300 -0.461 0.000 1.056 89 R CA -0.037 55.822 56.100 -0.401 0.000 0.901 89 R CB 0.499 30.562 30.300 -0.395 0.000 1.039 89 R HN 1.036 nan 8.270 nan 0.000 0.456 90 L N 3.092 124.149 121.223 -0.278 0.000 2.291 90 L HA -0.058 4.282 4.340 -0.000 0.000 0.214 90 L C 0.517 177.282 176.870 -0.175 0.000 1.120 90 L CA 0.488 55.199 54.840 -0.214 0.000 0.799 90 L CB -0.402 41.465 42.059 -0.319 0.000 0.925 90 L HN 0.632 nan 8.230 nan 0.000 0.446 91 N N -0.315 118.282 118.700 -0.172 0.000 2.284 91 N HA 0.325 5.065 4.740 -0.000 0.000 0.300 91 N C 0.124 175.554 175.510 -0.134 0.000 1.047 91 N CA -0.050 52.929 53.050 -0.118 0.000 0.821 91 N CB 2.024 40.467 38.487 -0.073 0.000 1.337 91 N HN -0.123 nan 8.380 nan 0.000 0.482 92 A N 1.323 124.084 122.820 -0.099 0.000 2.095 92 A HA 0.438 4.757 4.320 -0.000 0.000 0.212 92 A C 1.221 178.777 177.584 -0.047 0.000 1.162 92 A CA 0.912 52.895 52.037 -0.091 0.000 0.753 92 A CB -1.155 17.807 19.000 -0.062 0.000 0.840 92 A HN 1.321 nan 8.150 nan 0.000 0.468 93 G N -1.188 107.596 108.800 -0.027 0.000 2.740 93 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.250 93 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.250 93 G C -0.083 174.823 174.900 0.011 0.000 1.358 93 G CA 0.048 45.150 45.100 0.003 0.000 0.897 93 G HN 0.817 nan 8.290 nan 0.000 0.567 94 T N 1.476 116.047 114.554 0.028 0.000 2.797 94 T HA 0.523 4.873 4.350 -0.000 0.000 0.279 94 T C 0.312 175.038 174.700 0.042 0.000 0.991 94 T CA -0.619 61.497 62.100 0.027 0.000 0.979 94 T CB 1.354 70.238 68.868 0.028 0.000 0.943 94 T HN 0.624 nan 8.240 nan 0.000 0.444 95 K N 2.061 122.476 120.400 0.025 0.000 2.368 95 K HA 0.535 4.854 4.320 -0.000 0.000 0.282 95 K C 0.368 176.997 176.600 0.049 0.000 1.035 95 K CA -0.431 55.875 56.287 0.031 0.000 0.973 95 K CB 0.744 33.233 32.500 -0.017 0.000 0.957 95 K HN 0.685 nan 8.250 nan 0.000 0.474 96 A N 2.193 125.067 122.820 0.091 0.000 2.332 96 A HA 0.678 4.998 4.320 -0.000 0.000 0.258 96 A C -0.278 177.335 177.584 0.049 0.000 1.087 96 A CA -0.045 52.038 52.037 0.076 0.000 0.802 96 A CB 0.629 19.691 19.000 0.104 0.000 1.042 96 A HN 0.797 nan 8.150 nan 0.000 0.489 97 A N -0.371 122.467 122.820 0.031 0.000 2.586 97 A HA 0.730 5.050 4.320 -0.000 0.000 0.290 97 A C -1.156 176.436 177.584 0.013 0.000 1.086 97 A CA 0.085 52.130 52.037 0.014 0.000 0.665 97 A CB 0.859 19.861 19.000 0.003 0.000 1.279 97 A HN 2.291 nan 8.150 nan 0.000 0.423 98 V N -0.261 119.659 119.914 0.010 0.000 3.077 98 V HA 0.752 4.872 4.120 -0.000 0.000 0.299 98 V C -1.257 174.847 176.094 0.016 0.000 1.276 98 V CA 0.002 62.310 62.300 0.013 0.000 0.993 98 V CB 2.426 34.257 31.823 0.014 0.000 1.076 98 V HN 1.255 nan 8.190 nan 0.000 0.434 99 T N 4.804 119.366 114.554 0.013 0.000 2.812 99 T HA 0.658 5.008 4.350 -0.000 0.000 0.282 99 T C -1.004 173.701 174.700 0.009 0.000 0.990 99 T CA -0.361 61.747 62.100 0.012 0.000 0.960 99 T CB 1.510 70.383 68.868 0.007 0.000 0.948 99 T HN 0.602 nan 8.240 nan 0.000 0.438 100 V N 3.611 123.528 119.914 0.006 0.000 2.357 100 V HA 0.664 4.784 4.120 -0.000 0.000 0.281 100 V C 0.996 177.079 176.094 -0.018 0.000 1.015 100 V CA 0.175 62.472 62.300 -0.003 0.000 0.827 100 V CB 0.355 32.177 31.823 -0.002 0.000 1.018 100 V HN 1.255 nan 8.190 nan 0.000 0.432 101 G N 5.390 114.180 108.800 -0.017 0.000 2.574 101 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.301 101 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.301 101 G C 0.799 175.685 174.900 -0.024 0.000 1.166 101 G CA 0.742 45.828 45.100 -0.024 0.000 0.971 101 G HN 0.562 nan 8.290 nan 0.000 0.542 102 N N 0.350 119.028 118.700 -0.037 0.000 2.424 102 N HA 0.128 4.868 4.740 -0.000 0.000 0.178 102 N C 0.883 176.380 175.510 -0.022 0.000 1.060 102 N CA 0.542 53.574 53.050 -0.031 0.000 0.901 102 N CB 0.211 38.673 38.487 -0.042 0.000 0.979 102 N HN 0.465 nan 8.380 nan 0.000 0.451 103 L N 1.366 122.574 121.223 -0.025 0.000 2.305 103 L HA 0.287 4.627 4.340 -0.000 0.000 0.281 103 L C -0.350 176.540 176.870 0.034 0.000 1.085 103 L CA 0.302 55.145 54.840 0.006 0.000 0.813 103 L CB 1.214 43.268 42.059 -0.008 0.000 1.157 103 L HN -0.179 nan 8.230 nan 0.000 0.436 104 T N 4.506 119.094 114.554 0.057 0.000 2.824 104 T HA 0.605 4.955 4.350 -0.000 0.000 0.282 104 T C -0.990 173.749 174.700 0.065 0.000 0.993 104 T CA -0.391 61.736 62.100 0.045 0.000 0.967 104 T CB 1.483 70.363 68.868 0.020 0.000 0.960 104 T HN 0.343 nan 8.240 nan 0.000 0.441 105 V N 3.872 123.807 119.914 0.036 0.000 2.409 105 V HA 0.572 4.692 4.120 -0.000 0.000 0.291 105 V C -0.009 176.047 176.094 -0.063 0.000 1.020 105 V CA -0.686 61.594 62.300 -0.034 0.000 0.848 105 V CB 1.728 33.552 31.823 0.002 0.000 0.990 105 V HN 0.979 nan 8.190 nan 0.000 0.430 106 T N 3.636 118.122 114.554 -0.113 0.000 2.841 106 T HA 0.685 5.035 4.350 -0.000 0.000 0.283 106 T C 0.286 174.935 174.700 -0.084 0.000 1.000 106 T CA -0.297 61.757 62.100 -0.077 0.000 0.977 106 T CB 1.780 70.601 68.868 -0.078 0.000 0.979 106 T HN 0.952 nan 8.240 nan 0.000 0.446 107 A N 2.309 125.131 122.820 0.004 0.000 2.520 107 A HA 0.179 4.498 4.320 -0.000 0.000 0.235 107 A C 1.660 179.172 177.584 -0.121 0.000 1.065 107 A CA -0.018 52.083 52.037 0.106 0.000 0.764 107 A CB 0.080 19.249 19.000 0.282 0.000 1.002 107 A HN 1.003 nan 8.150 nan 0.000 0.502 108 K N 0.732 121.005 120.400 -0.212 0.000 2.097 108 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 108 K C -0.370 175.584 176.600 -1.077 0.000 1.050 108 K CA 0.999 56.870 56.287 -0.694 0.000 0.938 108 K CB 0.002 32.033 32.500 -0.782 0.000 0.718 108 K HN 0.746 nan 8.250 nan 0.000 0.442 109 W N -0.385 120.373 121.300 -0.905 0.000 2.864 109 W HA 0.452 5.112 4.660 -0.000 0.000 0.343 109 W C 0.108 176.264 176.519 -0.604 0.000 1.109 109 W CA -1.504 55.303 57.345 -0.896 0.000 1.192 109 W CB 1.227 29.865 29.460 -1.370 0.000 1.426 109 W HN -0.026 nan 8.180 nan 0.000 0.529 110 G N 0.494 109.263 108.800 -0.052 0.000 2.539 110 G HA2 0.567 4.527 3.960 -0.000 0.000 0.258 110 G HA3 0.567 4.527 3.960 -0.000 0.000 0.258 110 G C -0.101 174.843 174.900 0.072 0.000 1.202 110 G CA 0.363 45.469 45.100 0.010 0.000 0.851 110 G HN 1.059 nan 8.290 nan 0.000 0.556 111 G N -1.608 107.279 108.800 0.145 0.000 2.326 111 G HA2 0.490 4.450 3.960 -0.000 0.000 0.413 111 G HA3 0.490 4.450 3.960 -0.000 0.000 0.413 111 G C 0.515 175.561 174.900 0.243 0.000 1.444 111 G CA 0.130 45.354 45.100 0.206 0.000 1.002 111 G HN 1.512 nan 8.290 nan 0.000 0.649 112 A N -0.245 122.702 122.820 0.211 0.000 2.121 112 A HA 0.114 4.434 4.320 -0.000 0.000 0.218 112 A C 2.239 179.943 177.584 0.200 0.000 1.154 112 A CA 2.261 54.404 52.037 0.176 0.000 0.679 112 A CB -0.277 18.807 19.000 0.140 0.000 0.795 112 A HN 1.008 nan 8.150 nan 0.000 0.458 113 R N 0.468 121.141 120.500 0.288 0.000 2.193 113 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 113 R C 1.943 178.281 176.300 0.063 0.000 1.110 113 R CA 1.498 57.688 56.100 0.149 0.000 0.988 113 R CB -1.267 29.082 30.300 0.081 0.000 0.871 113 R HN 0.364 nan 8.270 nan 0.000 0.458 114 G N -0.002 108.977 108.800 0.299 0.000 2.448 114 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 114 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 114 G C 1.012 175.972 174.900 0.100 0.000 1.127 114 G CA 0.519 45.789 45.100 0.284 0.000 0.766 114 G HN 0.365 nan 8.290 nan 0.000 0.552 115 N N 1.261 120.008 118.700 0.078 0.000 2.550 115 N HA -0.030 4.709 4.740 -0.000 0.000 0.186 115 N C 0.561 176.063 175.510 -0.014 0.000 1.110 115 N CA 0.636 53.707 53.050 0.034 0.000 0.912 115 N CB 0.133 38.647 38.487 0.045 0.000 0.968 115 N HN 0.233 nan 8.380 nan 0.000 0.448 116 D N 0.336 120.702 120.400 -0.057 0.000 2.328 116 D HA 0.172 4.812 4.640 -0.000 0.000 0.221 116 D C 0.489 176.676 176.300 -0.189 0.000 1.072 116 D CA 0.059 53.990 54.000 -0.115 0.000 0.850 116 D CB 0.797 41.509 40.800 -0.147 0.000 0.922 116 D HN 0.276 nan 8.370 nan 0.000 0.516 117 I N 0.443 120.918 120.570 -0.159 0.000 2.385 117 I HA 0.224 4.394 4.170 -0.000 0.000 0.294 117 I C 0.122 176.175 176.117 -0.106 0.000 0.988 117 I CA -0.104 61.084 61.300 -0.187 0.000 1.265 117 I CB 1.796 39.715 38.000 -0.135 0.000 1.388 117 I HN -0.348 nan 8.210 nan 0.000 0.480 118 T N 6.277 120.766 114.554 -0.109 0.000 2.921 118 T HA 0.419 4.769 4.350 -0.000 0.000 0.297 118 T C -0.764 173.916 174.700 -0.034 0.000 1.013 118 T CA -0.449 61.617 62.100 -0.058 0.000 0.990 118 T CB 1.875 70.709 68.868 -0.056 0.000 1.023 118 T HN 0.283 nan 8.240 nan 0.000 0.447 119 L N 4.271 125.494 121.223 0.001 0.000 2.312 119 L HA 0.801 5.141 4.340 -0.000 0.000 0.281 119 L C -1.123 175.764 176.870 0.029 0.000 1.070 119 L CA -0.195 54.667 54.840 0.037 0.000 0.805 119 L CB 0.953 43.051 42.059 0.066 0.000 1.174 119 L HN 0.461 nan 8.230 nan 0.000 0.434 120 V N 6.765 126.702 119.914 0.038 0.000 2.525 120 V HA 0.483 4.603 4.120 -0.000 0.000 0.299 120 V C -0.345 175.776 176.094 0.045 0.000 1.034 120 V CA -0.355 61.964 62.300 0.032 0.000 0.863 120 V CB 1.640 33.475 31.823 0.020 0.000 0.999 120 V HN 0.627 nan 8.190 nan 0.000 0.423 121 I N 4.959 125.560 120.570 0.051 0.000 2.439 121 I HA 0.511 4.681 4.170 -0.000 0.000 0.283 121 I C -0.708 175.482 176.117 0.122 0.000 1.023 121 I CA -0.373 60.974 61.300 0.077 0.000 1.100 121 I CB 1.719 39.740 38.000 0.035 0.000 1.238 121 I HN 0.472 nan 8.210 nan 0.000 0.445 122 Q N 4.875 124.757 119.800 0.137 0.000 2.372 122 Q HA 0.324 4.664 4.340 -0.000 0.000 0.273 122 Q C -0.659 175.391 176.000 0.085 0.000 1.078 122 Q CA -0.752 55.115 55.803 0.106 0.000 0.806 122 Q CB 3.159 31.925 28.738 0.046 0.000 1.332 122 Q HN 0.602 nan 8.270 nan 0.000 0.435 123 E N 2.563 122.755 120.200 -0.013 0.000 2.452 123 E HA -0.083 4.267 4.350 -0.000 0.000 0.261 123 E C -0.118 176.388 176.600 -0.157 0.000 0.987 123 E CA -0.079 56.174 56.400 -0.246 0.000 0.926 123 E CB 0.624 30.166 29.700 -0.263 0.000 0.934 123 E HN 0.419 nan 8.360 nan 0.000 0.452 124 N N 4.844 123.429 118.700 -0.192 0.000 2.492 124 N HA -0.069 4.671 4.740 -0.000 0.000 0.262 124 N C 1.067 176.519 175.510 -0.098 0.000 1.202 124 N CA -0.285 52.702 53.050 -0.106 0.000 0.926 124 N CB 0.581 39.012 38.487 -0.094 0.000 1.078 124 N HN 0.516 nan 8.380 nan 0.000 0.454 125 I N 3.117 123.650 120.570 -0.061 0.000 2.252 125 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 125 I C 1.368 177.455 176.117 -0.050 0.000 1.102 125 I CA 1.189 62.458 61.300 -0.052 0.000 1.385 125 I CB -1.022 36.957 38.000 -0.034 0.000 1.064 125 I HN 0.541 nan 8.210 nan 0.000 0.414 126 D N 0.303 120.676 120.400 -0.044 0.000 2.117 126 D HA -0.118 4.521 4.640 -0.000 0.000 0.198 126 D C 0.727 176.999 176.300 -0.046 0.000 0.982 126 D CA 1.214 55.191 54.000 -0.038 0.000 0.828 126 D CB 0.051 40.834 40.800 -0.028 0.000 0.967 126 D HN 0.167 nan 8.370 nan 0.000 0.464 127 D N -0.231 120.133 120.400 -0.061 0.000 2.440 127 D HA 0.001 4.641 4.640 -0.000 0.000 0.252 127 D C 0.655 176.887 176.300 -0.114 0.000 1.180 127 D CA -0.314 53.644 54.000 -0.070 0.000 0.894 127 D CB 0.819 41.586 40.800 -0.055 0.000 1.111 127 D HN 0.031 nan 8.370 nan 0.000 0.544 128 E N 1.674 121.803 120.200 -0.119 0.000 2.463 128 E HA -0.168 4.182 4.350 -0.000 0.000 0.201 128 E C 0.845 177.307 176.600 -0.231 0.000 1.045 128 E CA 0.889 57.185 56.400 -0.173 0.000 0.872 128 E CB -0.453 29.172 29.700 -0.125 0.000 0.797 128 E HN 0.414 nan 8.360 nan 0.000 0.538 129 T N -2.122 112.333 114.554 -0.165 0.000 3.107 129 T HA 0.195 4.545 4.350 -0.000 0.000 0.249 129 T C 0.528 175.142 174.700 -0.144 0.000 1.096 129 T CA -0.302 61.717 62.100 -0.134 0.000 1.012 129 T CB 0.099 68.935 68.868 -0.053 0.000 0.977 129 T HN -0.012 nan 8.240 nan 0.000 0.527 130 K N 0.079 120.341 120.400 -0.230 0.000 2.400 130 K HA 0.671 4.991 4.320 -0.000 0.000 0.246 130 K C -1.535 174.873 176.600 -0.320 0.000 0.995 130 K CA -0.936 55.274 56.287 -0.128 0.000 0.840 130 K CB 1.695 34.171 32.500 -0.040 0.000 1.293 130 K HN 0.065 nan 8.250 nan 0.000 0.445 131 F N 0.268 120.197 119.950 -0.035 0.000 2.546 131 F HA 0.283 4.810 4.527 -0.000 0.000 0.320 131 F C -0.216 175.560 175.800 -0.041 0.000 1.076 131 F CA -0.920 57.059 58.000 -0.036 0.000 0.928 131 F CB 1.579 40.553 39.000 -0.043 0.000 1.189 131 F HN 0.257 nan 8.300 nan 0.000 0.465 132 D N 2.295 122.781 120.400 0.144 0.000 2.412 132 D HA 0.323 4.963 4.640 -0.000 0.000 0.224 132 D C -0.748 175.594 176.300 0.070 0.000 1.093 132 D CA 0.006 54.050 54.000 0.073 0.000 0.850 132 D CB 1.847 42.670 40.800 0.038 0.000 1.046 132 D HN 0.095 nan 8.370 nan 0.000 0.507 133 V N 2.488 122.422 119.914 0.033 0.000 2.348 133 V HA 0.238 4.358 4.120 -0.000 0.000 0.270 133 V C 0.437 176.555 176.094 0.039 0.000 1.037 133 V CA -0.302 62.002 62.300 0.007 0.000 0.872 133 V CB 1.081 32.837 31.823 -0.112 0.000 1.002 133 V HN 0.356 nan 8.190 nan 0.000 0.464 134 S N 3.080 118.814 115.700 0.057 0.000 2.501 134 S HA 0.606 5.076 4.470 -0.000 0.000 0.301 134 S C 0.075 174.717 174.600 0.070 0.000 1.096 134 S CA -0.559 57.677 58.200 0.060 0.000 1.063 134 S CB 1.821 65.039 63.200 0.031 0.000 1.042 134 S HN 0.732 nan 8.310 nan 0.000 0.494 135 T N 3.344 117.935 114.554 0.062 0.000 2.772 135 T HA 0.513 4.863 4.350 -0.000 0.000 0.288 135 T C -0.815 173.827 174.700 -0.097 0.000 0.994 135 T CA -0.429 61.679 62.100 0.013 0.000 0.951 135 T CB 0.280 69.179 68.868 0.053 0.000 0.933 135 T HN 0.177 nan 8.240 nan 0.000 0.447 136 L N 3.717 124.859 121.223 -0.134 0.000 2.325 136 L HA 0.681 5.020 4.340 -0.000 0.000 0.278 136 L C -0.388 176.294 176.870 -0.313 0.000 1.023 136 L CA -0.640 54.087 54.840 -0.187 0.000 0.811 136 L CB 1.927 43.916 42.059 -0.116 0.000 1.249 136 L HN 0.380 nan 8.230 nan 0.000 0.431 137 V N 2.244 121.926 119.914 -0.387 0.000 2.443 137 V HA 0.357 4.477 4.120 -0.000 0.000 0.293 137 V C -0.662 175.254 176.094 -0.296 0.000 1.021 137 V CA -0.733 61.262 62.300 -0.508 0.000 0.848 137 V CB 1.405 32.658 31.823 -0.949 0.000 0.998 137 V HN 0.804 nan 8.190 nan 0.000 0.424 138 D N 4.286 124.556 120.400 -0.217 0.000 2.772 138 D HA -0.198 4.441 4.640 -0.000 0.000 0.233 138 D C 1.366 177.606 176.300 -0.100 0.000 1.143 138 D CA 1.827 55.751 54.000 -0.126 0.000 0.700 138 D CB -1.048 39.695 40.800 -0.094 0.000 1.076 138 D HN 1.418 nan 8.370 nan 0.000 0.430 139 G N -1.284 107.452 108.800 -0.108 0.000 2.234 139 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.260 139 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.260 139 G C 0.457 175.308 174.900 -0.080 0.000 0.987 139 G CA 0.678 45.730 45.100 -0.080 0.000 0.625 139 G HN 1.282 nan 8.290 nan 0.000 0.532 140 A N 0.373 123.132 122.820 -0.102 0.000 2.301 140 A HA 0.661 4.981 4.320 -0.000 0.000 0.298 140 A C 0.291 177.813 177.584 -0.104 0.000 1.185 140 A CA 0.380 52.365 52.037 -0.088 0.000 0.830 140 A CB 0.606 19.558 19.000 -0.081 0.000 1.112 140 A HN 0.602 nan 8.150 nan 0.000 0.508 141 E N 2.806 122.967 120.200 -0.065 0.000 2.217 141 E HA 0.287 4.637 4.350 -0.000 0.000 0.279 141 E C -0.262 176.320 176.600 -0.030 0.000 1.068 141 E CA -0.209 56.160 56.400 -0.051 0.000 0.882 141 E CB 0.283 29.970 29.700 -0.021 0.000 1.039 141 E HN 0.703 nan 8.360 nan 0.000 0.418 142 L N 3.391 124.590 121.223 -0.042 0.000 2.664 142 L HA 0.350 4.690 4.340 -0.000 0.000 0.233 142 L C 0.119 177.052 176.870 0.104 0.000 1.113 142 L CA -0.111 54.755 54.840 0.044 0.000 0.896 142 L CB 0.384 42.472 42.059 0.048 0.000 1.163 142 L HN 0.501 nan 8.230 nan 0.000 0.497 143 D N 0.195 120.641 120.400 0.077 0.000 2.803 143 D HA 0.345 4.985 4.640 -0.000 0.000 0.218 143 D C -1.196 175.155 176.300 0.085 0.000 1.245 143 D CA -0.495 53.572 54.000 0.110 0.000 0.821 143 D CB 1.991 42.894 40.800 0.171 0.000 1.626 143 D HN -0.178 nan 8.370 nan 0.000 0.487 144 K N 2.355 122.802 120.400 0.078 0.000 2.581 144 K HA 0.421 4.741 4.320 -0.000 0.000 0.249 144 K C -1.552 175.076 176.600 0.047 0.000 0.966 144 K CA -0.547 55.774 56.287 0.056 0.000 0.811 144 K CB 1.340 33.864 32.500 0.039 0.000 1.223 144 K HN 0.422 nan 8.250 nan 0.000 0.438 145 Q N 1.962 121.780 119.800 0.029 0.000 2.321 145 Q HA 0.322 4.662 4.340 -0.000 0.000 0.270 145 Q C -1.213 174.784 176.000 -0.005 0.000 1.032 145 Q CA -0.939 54.866 55.803 0.004 0.000 0.784 145 Q CB 2.623 31.343 28.738 -0.029 0.000 1.264 145 Q HN 0.460 nan 8.270 nan 0.000 0.448 146 T N 2.525 117.082 114.554 0.005 0.000 2.753 146 T HA 0.483 4.833 4.350 -0.000 0.000 0.297 146 T C -0.132 174.576 174.700 0.015 0.000 0.981 146 T CA -0.463 61.648 62.100 0.017 0.000 0.956 146 T CB 0.416 69.292 68.868 0.013 0.000 0.936 146 T HN 0.443 nan 8.240 nan 0.000 0.463 147 V N 0.799 120.734 119.914 0.036 0.000 3.158 147 V HA 0.690 4.810 4.120 -0.000 0.000 0.311 147 V C 0.605 176.763 176.094 0.107 0.000 1.181 147 V CA -0.806 61.513 62.300 0.031 0.000 1.054 147 V CB 1.773 33.576 31.823 -0.034 0.000 1.085 147 V HN 0.579 nan 8.190 nan 0.000 0.446 148 S N 0.897 116.644 115.700 0.080 0.000 2.441 148 S HA 0.203 4.673 4.470 -0.000 0.000 0.224 148 S C 0.140 174.814 174.600 0.124 0.000 1.043 148 S CA 1.007 59.285 58.200 0.129 0.000 0.948 148 S CB -0.278 62.961 63.200 0.066 0.000 0.810 148 S HN 1.078 nan 8.310 nan 0.000 0.504 149 D N -1.207 119.199 120.400 0.010 0.000 2.812 149 D HA 0.370 5.009 4.640 -0.000 0.000 0.318 149 D C 0.616 176.843 176.300 -0.122 0.000 1.234 149 D CA -0.791 53.165 54.000 -0.073 0.000 0.989 149 D CB -0.203 40.572 40.800 -0.041 0.000 1.442 149 D HN -0.059 nan 8.370 nan 0.000 0.537 150 I N 0.163 120.651 120.570 -0.136 0.000 2.286 150 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 150 I C 2.406 178.464 176.117 -0.099 0.000 1.115 150 I CA 1.587 62.805 61.300 -0.137 0.000 1.392 150 I CB -0.464 37.479 38.000 -0.096 0.000 1.065 150 I HN 0.571 nan 8.210 nan 0.000 0.418 151 A N 1.042 123.825 122.820 -0.062 0.000 1.940 151 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 151 A C 2.385 179.944 177.584 -0.042 0.000 1.176 151 A CA 1.959 53.974 52.037 -0.038 0.000 0.631 151 A CB -1.397 17.588 19.000 -0.024 0.000 0.814 151 A HN 0.479 nan 8.150 nan 0.000 0.446 152 G N -0.928 107.840 108.800 -0.055 0.000 2.559 152 G HA2 0.183 4.143 3.960 -0.000 0.000 0.216 152 G HA3 0.183 4.143 3.960 -0.000 0.000 0.216 152 G C 0.626 175.479 174.900 -0.078 0.000 1.126 152 G CA -0.026 45.044 45.100 -0.050 0.000 0.778 152 G HN 0.430 nan 8.290 nan 0.000 0.543 153 L N 0.810 121.950 121.223 -0.138 0.000 2.439 153 L HA 0.519 4.859 4.340 -0.000 0.000 0.269 153 L C 0.408 177.250 176.870 -0.047 0.000 1.179 153 L CA -0.580 54.123 54.840 -0.228 0.000 0.828 153 L CB 1.327 43.047 42.059 -0.564 0.000 1.106 153 L HN 0.103 nan 8.230 nan 0.000 0.467 154 A N 2.421 125.264 122.820 0.038 0.000 2.371 154 A HA 0.786 5.106 4.320 -0.000 0.000 0.311 154 A C -0.191 177.581 177.584 0.313 0.000 1.068 154 A CA -0.544 51.579 52.037 0.144 0.000 0.744 154 A CB 1.432 20.481 19.000 0.083 0.000 1.239 154 A HN 0.773 nan 8.150 nan 0.000 0.435 155 A N 2.049 125.011 122.820 0.236 0.000 2.507 155 A HA 0.460 4.780 4.320 -0.000 0.000 0.235 155 A C 0.468 178.121 177.584 0.115 0.000 1.070 155 A CA 0.544 52.665 52.037 0.140 0.000 0.768 155 A CB -0.366 18.633 19.000 -0.002 0.000 1.011 155 A HN 1.290 nan 8.150 nan 0.000 0.502 156 N N -0.536 118.203 118.700 0.066 0.000 3.100 156 N HA 0.376 5.115 4.740 -0.000 0.000 0.344 156 N C -0.426 175.093 175.510 0.016 0.000 1.413 156 N CA -0.587 52.519 53.050 0.094 0.000 0.752 156 N CB 0.439 39.042 38.487 0.192 0.000 1.519 156 N HN 0.334 nan 8.380 nan 0.000 0.620 157 D N -1.633 118.779 120.400 0.019 0.000 2.378 157 D HA 0.016 4.656 4.640 -0.000 0.000 0.227 157 D C 0.178 176.290 176.300 -0.313 0.000 1.012 157 D CA 0.779 54.677 54.000 -0.169 0.000 0.905 157 D CB -0.110 40.545 40.800 -0.242 0.000 0.895 157 D HN 0.552 nan 8.370 nan 0.000 0.532 158 W N 0.270 121.571 121.300 0.001 0.000 3.063 158 W HA 0.117 4.777 4.660 -0.000 0.000 0.246 158 W C 0.712 177.239 176.519 0.014 0.000 1.145 158 W CA -0.079 57.298 57.345 0.054 0.000 1.510 158 W CB 0.543 29.965 29.460 -0.062 0.000 0.904 158 W HN -0.275 nan 8.180 nan 0.000 0.679 159 V N -1.392 118.553 119.914 0.050 0.000 3.181 159 V HA 0.627 4.747 4.120 -0.000 0.000 0.308 159 V C -0.848 175.003 176.094 -0.404 0.000 1.214 159 V CA -1.401 60.786 62.300 -0.189 0.000 1.053 159 V CB 2.402 34.044 31.823 -0.301 0.000 1.069 159 V HN -0.177 nan 8.190 nan 0.000 0.441 160 I N 1.866 122.184 120.570 -0.420 0.000 2.433 160 I HA 0.537 4.706 4.170 -0.000 0.000 0.292 160 I C -0.872 175.005 176.117 -0.400 0.000 1.001 160 I CA -0.398 60.689 61.300 -0.355 0.000 1.119 160 I CB 1.460 39.331 38.000 -0.215 0.000 1.289 160 I HN 0.598 nan 8.210 nan 0.000 0.438 161 F N 3.941 123.877 119.950 -0.024 0.000 2.404 161 F HA 0.500 5.026 4.527 -0.000 0.000 0.339 161 F C 0.852 176.634 175.800 -0.029 0.000 1.105 161 F CA -0.268 57.718 58.000 -0.023 0.000 1.087 161 F CB 1.568 40.556 39.000 -0.020 0.000 1.143 161 F HN 0.473 nan 8.300 nan 0.000 0.491 162 S N 1.055 116.844 115.700 0.148 0.000 2.595 162 S HA 0.983 5.453 4.470 -0.000 0.000 0.281 162 S C -0.403 174.229 174.600 0.053 0.000 1.117 162 S CA -0.343 57.899 58.200 0.069 0.000 0.873 162 S CB 1.846 65.061 63.200 0.024 0.000 1.108 162 S HN 1.581 nan 8.310 nan 0.000 0.477 163 G N -0.211 108.604 108.800 0.025 0.000 2.384 163 G HA2 0.371 4.331 3.960 -0.000 0.000 0.668 163 G HA3 0.371 4.331 3.960 -0.000 0.000 0.668 163 G C -0.568 174.331 174.900 -0.002 0.000 1.280 163 G CA -0.111 44.995 45.100 0.009 0.000 0.992 163 G HN 1.748 nan 8.290 nan 0.000 0.512 164 T N -1.305 113.241 114.554 -0.013 0.000 2.889 164 T HA 0.895 5.245 4.350 -0.000 0.000 0.315 164 T C 0.589 175.271 174.700 -0.030 0.000 1.291 164 T CA 1.689 63.777 62.100 -0.019 0.000 1.028 164 T CB 1.107 69.968 68.868 -0.012 0.000 1.235 164 T HN 2.993 nan 8.240 nan 0.000 0.491 165 G N 1.522 110.302 108.800 -0.034 0.000 2.451 165 G HA2 0.412 4.372 3.960 -0.000 0.000 0.208 165 G HA3 0.412 4.372 3.960 -0.000 0.000 0.208 165 G C -0.013 174.850 174.900 -0.062 0.000 1.248 165 G CA -0.133 44.944 45.100 -0.038 0.000 0.989 165 G HN 1.602 nan 8.290 nan 0.000 0.559 166 A N -0.587 122.193 122.820 -0.067 0.000 2.302 166 A HA 0.792 5.111 4.320 -0.000 0.000 0.285 166 A C 0.509 177.973 177.584 -0.200 0.000 1.105 166 A CA -0.158 51.813 52.037 -0.109 0.000 0.816 166 A CB 0.523 19.490 19.000 -0.054 0.000 1.067 166 A HN 1.209 nan 8.150 nan 0.000 0.489 167 L N 0.475 121.460 121.223 -0.398 0.000 2.421 167 L HA 0.494 4.833 4.340 -0.000 0.000 0.263 167 L C 0.372 176.931 176.870 -0.518 0.000 1.122 167 L CA -0.135 54.367 54.840 -0.564 0.000 0.804 167 L CB 1.499 42.978 42.059 -0.968 0.000 1.150 167 L HN 0.700 nan 8.230 nan 0.000 0.457 168 T N 0.476 114.833 114.554 -0.328 0.000 2.876 168 T HA 0.271 4.621 4.350 -0.000 0.000 0.289 168 T C -0.535 174.131 174.700 -0.058 0.000 1.014 168 T CA -0.712 61.312 62.100 -0.126 0.000 0.986 168 T CB 1.669 70.501 68.868 -0.059 0.000 1.021 168 T HN 0.462 nan 8.240 nan 0.000 0.458 169 E N 1.115 121.360 120.200 0.075 0.000 2.409 169 E HA 0.438 4.788 4.350 -0.000 0.000 0.257 169 E C -0.132 176.498 176.600 0.051 0.000 1.150 169 E CA -0.151 56.313 56.400 0.107 0.000 0.942 169 E CB 0.785 30.572 29.700 0.144 0.000 0.979 169 E HN 0.492 nan 8.360 nan 0.000 0.447 170 T N -0.863 113.720 114.554 0.049 0.000 3.393 170 T HA 0.354 4.704 4.350 -0.000 0.000 0.359 170 T C -0.118 174.599 174.700 0.029 0.000 1.380 170 T CA -0.002 62.117 62.100 0.031 0.000 1.132 170 T CB 1.148 70.029 68.868 0.021 0.000 1.284 170 T HN 0.420 nan 8.240 nan 0.000 0.477 171 A N 2.865 125.698 122.820 0.021 0.000 2.014 171 A HA 0.613 4.933 4.320 -0.000 0.000 0.218 171 A C 1.250 178.840 177.584 0.010 0.000 1.163 171 A CA 0.949 52.996 52.037 0.016 0.000 0.652 171 A CB -0.352 18.655 19.000 0.011 0.000 0.808 171 A HN 1.631 nan 8.150 nan 0.000 0.449 172 G N -1.832 106.974 108.800 0.009 0.000 2.378 172 G HA2 0.572 4.532 3.960 -0.000 0.000 0.306 172 G HA3 0.572 4.532 3.960 -0.000 0.000 0.306 172 G C -0.873 174.029 174.900 0.004 0.000 1.413 172 G CA 0.207 45.309 45.100 0.003 0.000 1.123 172 G HN 1.037 nan 8.290 nan 0.000 0.587 173 A N 3.898 126.721 122.820 0.005 0.000 2.709 173 A HA 0.821 5.141 4.320 -0.000 0.000 0.332 173 A C -2.678 174.907 177.584 0.002 0.000 1.241 173 A CA -1.452 50.589 52.037 0.007 0.000 0.782 173 A CB 1.164 20.172 19.000 0.014 0.000 1.109 173 A HN 0.365 nan 8.150 nan 0.000 0.472 174 P HA 0.262 nan 4.420 nan 0.000 0.268 174 P C -0.373 176.926 177.300 -0.002 0.000 1.205 174 P CA -0.068 63.025 63.100 -0.011 0.000 0.771 174 P CB 0.607 32.300 31.700 -0.013 0.000 0.858 175 L N 4.370 125.592 121.223 -0.002 0.000 2.417 175 L HA 0.310 4.650 4.340 -0.000 0.000 0.268 175 L C 0.732 177.613 176.870 0.019 0.000 1.158 175 L CA 0.436 55.283 54.840 0.012 0.000 0.819 175 L CB -0.073 41.999 42.059 0.021 0.000 1.112 175 L HN 0.329 nan 8.230 nan 0.000 0.458 176 I N -0.978 119.606 120.570 0.024 0.000 3.354 176 I HA 0.541 4.711 4.170 -0.000 0.000 0.316 176 I C -0.023 176.113 176.117 0.033 0.000 1.182 176 I CA -0.850 60.466 61.300 0.027 0.000 0.942 176 I CB 1.920 39.932 38.000 0.019 0.000 1.299 176 I HN 0.679 nan 8.210 nan 0.000 0.473 177 N N -0.037 118.683 118.700 0.033 0.000 2.925 177 N HA -0.118 4.622 4.740 -0.000 0.000 0.244 177 N C 0.389 175.926 175.510 0.044 0.000 1.000 177 N CA 1.232 54.301 53.050 0.033 0.000 0.895 177 N CB -1.455 37.047 38.487 0.025 0.000 1.119 177 N HN 1.143 nan 8.380 nan 0.000 0.569 178 G N 0.090 108.927 108.800 0.061 0.000 2.476 178 G HA2 0.578 4.538 3.960 -0.000 0.000 0.269 178 G HA3 0.578 4.538 3.960 -0.000 0.000 0.269 178 G C 0.132 175.080 174.900 0.080 0.000 1.195 178 G CA 0.756 45.907 45.100 0.085 0.000 0.843 178 G HN 0.595 nan 8.290 nan 0.000 0.545 179 S N -0.153 115.597 115.700 0.084 0.000 2.578 179 S HA 0.314 4.784 4.470 -0.000 0.000 0.272 179 S C -0.423 174.219 174.600 0.070 0.000 1.145 179 S CA -0.765 57.478 58.200 0.073 0.000 0.835 179 S CB 1.796 65.026 63.200 0.050 0.000 1.104 179 S HN 0.344 nan 8.310 nan 0.000 0.458 180 D N 0.726 121.164 120.400 0.063 0.000 2.271 180 D HA 0.337 4.977 4.640 -0.000 0.000 0.206 180 D C 1.412 177.726 176.300 0.025 0.000 0.967 180 D CA 1.794 55.822 54.000 0.047 0.000 0.867 180 D CB -0.488 40.341 40.800 0.048 0.000 0.960 180 D HN 1.237 nan 8.370 nan 0.000 0.509 181 G N 0.828 109.644 108.800 0.026 0.000 2.645 181 G HA2 0.009 3.969 3.960 -0.000 0.000 0.239 181 G HA3 0.009 3.969 3.960 -0.000 0.000 0.239 181 G C -0.297 174.612 174.900 0.016 0.000 1.331 181 G CA -0.230 44.881 45.100 0.019 0.000 0.890 181 G HN 0.585 nan 8.290 nan 0.000 0.572 182 A N -1.307 121.522 122.820 0.015 0.000 2.330 182 A HA 0.810 5.130 4.320 -0.000 0.000 0.327 182 A C 0.145 177.740 177.584 0.019 0.000 1.155 182 A CA 0.353 52.401 52.037 0.018 0.000 0.803 182 A CB 1.865 20.877 19.000 0.020 0.000 1.208 182 A HN 2.223 nan 8.150 nan 0.000 0.477 183 V N 2.037 121.968 119.914 0.028 0.000 2.644 183 V HA 0.619 4.739 4.120 -0.000 0.000 0.295 183 V C 0.614 176.749 176.094 0.069 0.000 1.053 183 V CA 0.206 62.527 62.300 0.036 0.000 0.987 183 V CB 1.709 33.552 31.823 0.033 0.000 1.006 183 V HN 1.047 nan 8.190 nan 0.000 0.472 184 T N 3.656 118.253 114.554 0.071 0.000 2.907 184 T HA 0.269 4.618 4.350 -0.000 0.000 0.284 184 T C 1.082 175.879 174.700 0.161 0.000 1.004 184 T CA 0.011 62.164 62.100 0.088 0.000 1.063 184 T CB 0.573 69.478 68.868 0.062 0.000 0.992 184 T HN 0.848 nan 8.240 nan 0.000 0.483 185 N N 1.629 120.421 118.700 0.153 0.000 2.430 185 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 185 N C 1.677 177.325 175.510 0.230 0.000 1.032 185 N CA 0.432 53.606 53.050 0.208 0.000 0.893 185 N CB 0.036 38.564 38.487 0.069 0.000 0.957 185 N HN 0.538 nan 8.380 nan 0.000 0.442 186 Q N 1.226 121.113 119.800 0.146 0.000 2.224 186 Q HA 0.028 4.368 4.340 -0.000 0.000 0.203 186 Q C 1.787 177.860 176.000 0.120 0.000 0.970 186 Q CA 1.194 57.065 55.803 0.113 0.000 0.865 186 Q CB -0.183 28.598 28.738 0.072 0.000 0.922 186 Q HN 0.321 nan 8.270 nan 0.000 0.445 187 A N -0.744 122.149 122.820 0.121 0.000 1.972 187 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 187 A C 1.558 179.163 177.584 0.035 0.000 1.169 187 A CA 1.303 53.375 52.037 0.059 0.000 0.635 187 A CB -0.808 18.177 19.000 -0.025 0.000 0.810 187 A HN 0.541 nan 8.150 nan 0.000 0.446 188 Y N -0.467 119.887 120.300 0.090 0.000 2.439 188 Y HA -0.063 4.486 4.550 -0.000 0.000 0.292 188 Y C 2.128 178.059 175.900 0.051 0.000 1.130 188 Y CA 0.578 58.754 58.100 0.126 0.000 1.254 188 Y CB -0.007 38.564 38.460 0.185 0.000 1.000 188 Y HN 0.208 nan 8.280 nan 0.000 0.554 189 I N -0.133 120.526 120.570 0.149 0.000 2.353 189 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 189 I C 1.576 177.664 176.117 -0.048 0.000 1.119 189 I CA 1.207 62.524 61.300 0.028 0.000 1.417 189 I CB -1.013 37.014 38.000 0.045 0.000 1.078 189 I HN 0.238 nan 8.210 nan 0.000 0.421 190 D N 0.134 120.527 120.400 -0.013 0.000 2.117 190 D HA -0.242 4.397 4.640 -0.000 0.000 0.197 190 D C 2.059 178.213 176.300 -0.244 0.000 0.987 190 D CA 1.183 55.161 54.000 -0.037 0.000 0.829 190 D CB -0.562 40.292 40.800 0.090 0.000 0.961 190 D HN 0.334 nan 8.370 nan 0.000 0.460 191 Y N 1.979 121.950 120.300 -0.549 0.000 2.070 191 Y HA -0.211 4.339 4.550 -0.000 0.000 0.280 191 Y C 2.261 177.750 175.900 -0.685 0.000 1.148 191 Y CA 1.387 58.850 58.100 -1.061 0.000 1.125 191 Y CB -0.740 37.240 38.460 -0.801 0.000 0.975 191 Y HN -0.114 nan 8.280 nan 0.000 0.492 192 L N 0.060 120.803 121.223 -0.800 0.000 2.043 192 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 192 L C 2.798 179.348 176.870 -0.532 0.000 1.075 192 L CA 1.377 55.611 54.840 -1.010 0.000 0.752 192 L CB -1.126 40.325 42.059 -1.012 0.000 0.891 192 L HN 0.421 nan 8.230 nan 0.000 0.432 193 A N -0.155 122.476 122.820 -0.314 0.000 1.902 193 A HA -0.130 4.189 4.320 -0.000 0.000 0.217 193 A C 2.525 180.035 177.584 -0.122 0.000 1.181 193 A CA 1.704 53.663 52.037 -0.130 0.000 0.623 193 A CB -0.630 18.325 19.000 -0.076 0.000 0.818 193 A HN 0.409 nan 8.150 nan 0.000 0.443 194 A N -0.916 121.772 122.820 -0.220 0.000 1.898 194 A HA 0.037 4.356 4.320 -0.000 0.000 0.216 194 A C 2.291 179.855 177.584 -0.035 0.000 1.181 194 A CA 1.609 53.591 52.037 -0.093 0.000 0.620 194 A CB -0.979 17.958 19.000 -0.104 0.000 0.819 194 A HN 0.718 nan 8.150 nan 0.000 0.442 195 V N 0.118 119.806 119.914 -0.376 0.000 2.515 195 V HA -0.195 3.924 4.120 -0.000 0.000 0.250 195 V C 2.212 178.355 176.094 0.081 0.000 1.058 195 V CA 2.439 64.531 62.300 -0.346 0.000 1.064 195 V CB -0.410 30.818 31.823 -0.992 0.000 0.675 195 V HN 0.739 nan 8.190 nan 0.000 0.461 196 E N -0.303 119.968 120.200 0.119 0.000 2.267 196 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 196 E C 1.861 178.590 176.600 0.216 0.000 0.998 196 E CA 1.591 58.161 56.400 0.284 0.000 0.830 196 E CB -0.134 29.696 29.700 0.216 0.000 0.751 196 E HN 0.743 nan 8.360 nan 0.000 0.491 197 I N 0.014 120.690 120.570 0.177 0.000 3.419 197 I HA -0.025 4.144 4.170 -0.000 0.000 0.286 197 I C 0.337 176.473 176.117 0.031 0.000 1.268 197 I CA -0.116 61.223 61.300 0.065 0.000 1.414 197 I CB 0.128 38.117 38.000 -0.018 0.000 1.074 197 I HN -0.070 nan 8.210 nan 0.000 0.457 198 F N 0.812 120.830 119.950 0.113 0.000 2.380 198 F HA 0.265 4.792 4.527 -0.000 0.000 0.321 198 F C 0.599 176.540 175.800 0.236 0.000 1.103 198 F CA -0.547 57.541 58.000 0.147 0.000 1.067 198 F CB 0.520 39.597 39.000 0.129 0.000 1.265 198 F HN -0.156 nan 8.300 nan 0.000 0.517 199 D N 1.870 122.487 120.400 0.361 0.000 2.232 199 D HA 0.395 5.035 4.640 -0.000 0.000 0.242 199 D C -0.740 175.757 176.300 0.327 0.000 1.093 199 D CA 0.290 54.410 54.000 0.201 0.000 0.845 199 D CB 1.240 42.091 40.800 0.084 0.000 1.124 199 D HN 0.331 nan 8.370 nan 0.000 0.467 200 F N 0.006 120.003 119.950 0.079 0.000 2.779 200 F HA 0.448 4.975 4.527 -0.000 0.000 0.316 200 F C 0.052 175.876 175.800 0.040 0.000 1.164 200 F CA -0.873 57.165 58.000 0.062 0.000 0.924 200 F CB 1.035 40.075 39.000 0.066 0.000 1.348 200 F HN -0.034 nan 8.300 nan 0.000 0.467 201 N N -0.751 118.043 118.700 0.158 0.000 2.606 201 N HA 0.118 4.858 4.740 -0.000 0.000 0.208 201 N C -0.117 175.488 175.510 0.158 0.000 1.046 201 N CA 1.249 54.316 53.050 0.029 0.000 0.891 201 N CB 0.869 39.376 38.487 0.033 0.000 1.344 201 N HN 0.824 nan 8.380 nan 0.000 0.437 202 T N -1.072 113.670 114.554 0.314 0.000 2.903 202 T HA 0.726 5.076 4.350 -0.000 0.000 0.299 202 T C -0.692 174.191 174.700 0.305 0.000 1.093 202 T CA -0.670 61.598 62.100 0.280 0.000 1.002 202 T CB 2.085 71.024 68.868 0.118 0.000 1.127 202 T HN -0.099 nan 8.240 nan 0.000 0.488 203 I N 1.373 122.105 120.570 0.271 0.000 2.569 203 I HA 0.677 4.846 4.170 -0.000 0.000 0.296 203 I C -0.092 176.142 176.117 0.194 0.000 1.028 203 I CA -1.289 60.141 61.300 0.216 0.000 1.082 203 I CB 2.082 40.247 38.000 0.275 0.000 1.264 203 I HN 1.009 nan 8.210 nan 0.000 0.429 204 A N 5.985 128.890 122.820 0.141 0.000 2.330 204 A HA 0.766 5.086 4.320 -0.000 0.000 0.327 204 A C -1.208 176.417 177.584 0.068 0.000 1.155 204 A CA -0.430 51.661 52.037 0.090 0.000 0.803 204 A CB 1.315 20.344 19.000 0.047 0.000 1.208 204 A HN 0.565 nan 8.150 nan 0.000 0.477 205 L N 4.926 126.143 121.223 -0.010 0.000 2.384 205 L HA 0.492 4.832 4.340 -0.000 0.000 0.261 205 L C -2.313 174.475 176.870 -0.136 0.000 1.024 205 L CA -1.832 52.900 54.840 -0.180 0.000 0.899 205 L CB 1.621 43.360 42.059 -0.533 0.000 1.243 205 L HN 0.431 nan 8.230 nan 0.000 0.449 206 P HA 0.152 nan 4.420 nan 0.000 0.220 206 P C -0.570 176.692 177.300 -0.063 0.000 1.806 206 P CA 0.157 63.233 63.100 -0.041 0.000 0.976 206 P CB 0.274 31.967 31.700 -0.011 0.000 1.952 207 S N 0.355 115.983 115.700 -0.120 0.000 2.546 207 S HA 0.438 4.907 4.470 -0.000 0.000 0.274 207 S C 0.948 175.463 174.600 -0.143 0.000 1.121 207 S CA -0.348 57.767 58.200 -0.142 0.000 0.887 207 S CB 1.226 64.279 63.200 -0.244 0.000 1.094 207 S HN 0.189 nan 8.310 nan 0.000 0.474 208 T N -0.450 114.042 114.554 -0.105 0.000 3.107 208 T HA 0.194 4.543 4.350 -0.000 0.000 0.249 208 T C 0.292 174.928 174.700 -0.107 0.000 1.096 208 T CA -0.113 61.941 62.100 -0.078 0.000 1.012 208 T CB -0.272 68.575 68.868 -0.035 0.000 0.977 208 T HN 0.546 nan 8.240 nan 0.000 0.527 209 D N 2.581 122.881 120.400 -0.167 0.000 2.368 209 D HA -0.005 4.635 4.640 -0.000 0.000 0.268 209 D C 0.370 176.543 176.300 -0.211 0.000 1.298 209 D CA 0.064 53.955 54.000 -0.183 0.000 0.938 209 D CB 0.592 41.242 40.800 -0.250 0.000 1.101 209 D HN 0.199 nan 8.370 nan 0.000 0.509 210 D N 3.389 123.711 120.400 -0.130 0.000 2.149 210 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 210 D C 1.707 177.907 176.300 -0.167 0.000 0.990 210 D CA 1.103 55.032 54.000 -0.120 0.000 0.839 210 D CB 0.092 40.906 40.800 0.023 0.000 0.948 210 D HN 0.567 nan 8.370 nan 0.000 0.460 211 A N 0.867 123.612 122.820 -0.124 0.000 1.902 211 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 211 A C 2.418 179.914 177.584 -0.148 0.000 1.181 211 A CA 0.770 52.748 52.037 -0.099 0.000 0.623 211 A CB -0.706 18.253 19.000 -0.069 0.000 0.818 211 A HN 0.179 nan 8.150 nan 0.000 0.443 212 L N -0.753 120.321 121.223 -0.248 0.000 2.093 212 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 212 L C 2.552 179.233 176.870 -0.315 0.000 1.085 212 L CA 1.581 56.230 54.840 -0.318 0.000 0.755 212 L CB -0.410 41.273 42.059 -0.626 0.000 0.904 212 L HN 0.376 nan 8.230 nan 0.000 0.435 213 K N 0.075 120.200 120.400 -0.459 0.000 2.057 213 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 213 K C 2.223 178.549 176.600 -0.457 0.000 1.049 213 K CA 1.405 57.328 56.287 -0.607 0.000 0.931 213 K CB -0.270 31.564 32.500 -1.109 0.000 0.714 213 K HN 0.282 nan 8.250 nan 0.000 0.440 214 A N 0.960 123.573 122.820 -0.345 0.000 1.898 214 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 214 A C 2.247 179.877 177.584 0.076 0.000 1.181 214 A CA 1.930 53.953 52.037 -0.023 0.000 0.620 214 A CB -0.907 18.131 19.000 0.063 0.000 0.819 214 A HN 0.229 nan 8.150 nan 0.000 0.442 215 T N -0.725 113.879 114.554 0.084 0.000 2.746 215 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 215 T C 1.555 176.407 174.700 0.254 0.000 1.039 215 T CA 1.522 63.716 62.100 0.157 0.000 1.142 215 T CB -0.450 68.513 68.868 0.159 0.000 0.866 215 T HN 0.470 nan 8.240 nan 0.000 0.444 216 F N 1.344 121.298 119.950 0.007 0.000 2.216 216 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 216 F C 2.834 178.749 175.800 0.192 0.000 1.085 216 F CA 0.727 58.784 58.000 0.095 0.000 1.326 216 F CB -0.506 38.511 39.000 0.029 0.000 1.027 216 F HN 0.115 nan 8.300 nan 0.000 0.497 217 T N -0.257 114.480 114.554 0.306 0.000 2.746 217 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 217 T C 2.218 177.015 174.700 0.161 0.000 1.039 217 T CA 1.217 63.475 62.100 0.263 0.000 1.142 217 T CB -0.503 68.531 68.868 0.277 0.000 0.866 217 T HN 0.315 nan 8.240 nan 0.000 0.444 218 A N 0.996 123.895 122.820 0.132 0.000 1.898 218 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 218 A C 2.000 179.627 177.584 0.072 0.000 1.181 218 A CA 1.242 53.312 52.037 0.055 0.000 0.620 218 A CB -0.969 18.069 19.000 0.063 0.000 0.819 218 A HN 0.475 nan 8.150 nan 0.000 0.442 219 F N 1.191 121.131 119.950 -0.016 0.000 2.095 219 F HA -0.153 4.373 4.527 -0.000 0.000 0.298 219 F C 2.516 178.319 175.800 0.005 0.000 1.104 219 F CA 1.347 59.318 58.000 -0.048 0.000 1.232 219 F CB -0.534 38.373 39.000 -0.154 0.000 0.987 219 F HN 0.251 nan 8.300 nan 0.000 0.475 220 A N 0.283 123.178 122.820 0.126 0.000 1.883 220 A HA -0.230 4.089 4.320 -0.000 0.000 0.217 220 A C 2.255 179.887 177.584 0.081 0.000 1.186 220 A CA 2.022 54.132 52.037 0.121 0.000 0.624 220 A CB -0.745 18.462 19.000 0.344 0.000 0.822 220 A HN 0.490 nan 8.150 nan 0.000 0.444 221 K N -0.913 119.466 120.400 -0.035 0.000 2.097 221 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 221 K C 2.381 178.906 176.600 -0.126 0.000 1.049 221 K CA 1.521 57.672 56.287 -0.227 0.000 0.933 221 K CB -0.167 32.028 32.500 -0.508 0.000 0.717 221 K HN 0.493 nan 8.250 nan 0.000 0.442 222 R N 0.852 121.259 120.500 -0.154 0.000 2.062 222 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 222 R C 2.147 178.337 176.300 -0.183 0.000 1.136 222 R CA 1.129 57.136 56.100 -0.156 0.000 0.948 222 R CB -0.199 30.005 30.300 -0.159 0.000 0.845 222 R HN 0.001 nan 8.270 nan 0.000 0.430 223 L N 0.856 121.899 121.223 -0.299 0.000 1.994 223 L HA -0.129 4.210 4.340 -0.000 0.000 0.208 223 L C 2.590 179.371 176.870 -0.147 0.000 1.071 223 L CA 1.834 56.508 54.840 -0.277 0.000 0.745 223 L CB -0.511 41.294 42.059 -0.422 0.000 0.892 223 L HN 0.153 nan 8.230 nan 0.000 0.431 224 R N -0.530 119.923 120.500 -0.079 0.000 2.070 224 R HA -0.132 4.208 4.340 -0.000 0.000 0.233 224 R C 1.349 177.656 176.300 0.012 0.000 1.137 224 R CA 1.613 57.711 56.100 -0.003 0.000 0.945 224 R CB -0.345 30.024 30.300 0.114 0.000 0.845 224 R HN 0.390 nan 8.270 nan 0.000 0.430 225 D N -0.732 119.683 120.400 0.026 0.000 2.379 225 D HA 0.015 4.654 4.640 -0.000 0.000 0.208 225 D C 0.541 176.831 176.300 -0.015 0.000 1.065 225 D CA 0.529 54.541 54.000 0.019 0.000 0.848 225 D CB 0.399 41.229 40.800 0.050 0.000 0.949 225 D HN 0.155 nan 8.370 nan 0.000 0.509 226 D N 0.107 120.482 120.400 -0.041 0.000 2.455 226 D HA 0.017 4.656 4.640 -0.000 0.000 0.228 226 D C 1.462 177.732 176.300 -0.050 0.000 1.070 226 D CA 0.357 54.330 54.000 -0.045 0.000 0.881 226 D CB 0.741 41.507 40.800 -0.056 0.000 1.087 226 D HN 0.117 nan 8.370 nan 0.000 0.498 227 E N 0.079 120.238 120.200 -0.068 0.000 2.473 227 E HA 0.191 4.541 4.350 -0.000 0.000 0.204 227 E C 1.197 177.757 176.600 -0.066 0.000 0.994 227 E CA 0.366 56.723 56.400 -0.072 0.000 0.945 227 E CB 1.307 30.947 29.700 -0.100 0.000 0.990 227 E HN 0.187 nan 8.360 nan 0.000 0.493 228 G N 2.723 111.487 108.800 -0.060 0.000 2.160 228 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.251 228 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.251 228 G C 0.300 175.151 174.900 -0.082 0.000 1.008 228 G CA 0.741 45.808 45.100 -0.055 0.000 0.724 228 G HN 0.185 nan 8.290 nan 0.000 0.514 229 K N 0.772 121.107 120.400 -0.108 0.000 2.357 229 K HA 0.306 4.626 4.320 -0.000 0.000 0.251 229 K C 0.170 176.670 176.600 -0.166 0.000 1.069 229 K CA -0.813 55.383 56.287 -0.152 0.000 0.994 229 K CB 0.176 32.569 32.500 -0.178 0.000 1.411 229 K HN -0.040 nan 8.250 nan 0.000 0.450 230 K N 4.994 125.307 120.400 -0.145 0.000 2.363 230 K HA 0.151 4.470 4.320 -0.000 0.000 0.289 230 K C 0.147 176.648 176.600 -0.164 0.000 1.063 230 K CA -0.128 56.086 56.287 -0.122 0.000 0.967 230 K CB -0.163 32.281 32.500 -0.094 0.000 0.987 230 K HN 0.551 nan 8.250 nan 0.000 0.473 231 I N -1.349 119.141 120.570 -0.134 0.000 3.279 231 I HA 0.426 4.596 4.170 -0.000 0.000 0.315 231 I C -0.916 175.216 176.117 0.025 0.000 1.187 231 I CA -0.982 60.249 61.300 -0.115 0.000 0.953 231 I CB 1.824 39.673 38.000 -0.252 0.000 1.279 231 I HN 0.327 nan 8.210 nan 0.000 0.465 232 Q N 0.900 120.764 119.800 0.107 0.000 2.421 232 Q HA 0.791 5.131 4.340 -0.000 0.000 0.280 232 Q C -1.468 174.668 176.000 0.226 0.000 1.085 232 Q CA -1.231 54.654 55.803 0.137 0.000 0.807 232 Q CB 3.353 32.136 28.738 0.074 0.000 1.405 232 Q HN 0.748 nan 8.270 nan 0.000 0.419 233 V N -1.446 118.611 119.914 0.239 0.000 2.555 233 V HA 0.740 4.860 4.120 -0.000 0.000 0.302 233 V C -0.635 175.574 176.094 0.192 0.000 1.038 233 V CA -0.734 61.736 62.300 0.282 0.000 0.887 233 V CB 1.707 33.766 31.823 0.393 0.000 0.991 233 V HN 0.483 nan 8.190 nan 0.000 0.434 234 V N 6.190 126.193 119.914 0.148 0.000 2.334 234 V HA 0.533 4.653 4.120 -0.000 0.000 0.281 234 V C 0.040 176.171 176.094 0.062 0.000 1.016 234 V CA -0.230 62.111 62.300 0.068 0.000 0.832 234 V CB 0.919 32.743 31.823 0.002 0.000 0.999 234 V HN 0.840 nan 8.190 nan 0.000 0.439 235 L N 2.767 124.030 121.223 0.065 0.000 2.298 235 L HA 0.706 5.046 4.340 -0.000 0.000 0.268 235 L C 0.099 177.004 176.870 0.059 0.000 1.010 235 L CA -0.769 54.090 54.840 0.030 0.000 0.812 235 L CB 1.678 43.757 42.059 0.033 0.000 1.331 235 L HN 0.483 nan 8.230 nan 0.000 0.450 236 E N 1.494 121.718 120.200 0.041 0.000 2.151 236 E HA 0.114 4.463 4.350 -0.000 0.000 0.275 236 E C -0.859 175.810 176.600 0.115 0.000 0.936 236 E CA -0.408 56.039 56.400 0.078 0.000 0.777 236 E CB 0.842 30.569 29.700 0.045 0.000 1.108 236 E HN 0.581 nan 8.360 nan 0.000 0.401 237 N N 3.986 122.770 118.700 0.139 0.000 2.650 237 N HA -0.294 4.445 4.740 -0.000 0.000 0.272 237 N C -1.143 174.497 175.510 0.216 0.000 1.058 237 N CA 0.881 54.017 53.050 0.144 0.000 0.765 237 N CB -0.984 37.573 38.487 0.117 0.000 0.902 237 N HN 0.547 nan 8.380 nan 0.000 0.551 238 Y N 0.046 120.370 120.300 0.039 0.000 2.634 238 Y HA 0.210 4.760 4.550 -0.000 0.000 0.300 238 Y C -1.805 174.122 175.900 0.045 0.000 0.977 238 Y CA -1.131 56.990 58.100 0.035 0.000 1.134 238 Y CB 1.047 39.526 38.460 0.032 0.000 1.161 238 Y HN 0.091 nan 8.280 nan 0.000 0.623 239 P HA -0.137 nan 4.420 nan 0.000 0.225 239 P C 1.271 178.470 177.300 -0.168 0.000 1.148 239 P CA 1.433 64.497 63.100 -0.059 0.000 0.779 239 P CB 0.272 31.948 31.700 -0.041 0.000 0.780 240 A N 0.719 123.307 122.820 -0.388 0.000 2.125 240 A HA -0.024 4.295 4.320 -0.000 0.000 0.219 240 A C 2.421 179.821 177.584 -0.306 0.000 1.156 240 A CA 1.545 53.335 52.037 -0.412 0.000 0.671 240 A CB -1.252 17.387 19.000 -0.601 0.000 0.794 240 A HN 0.251 nan 8.150 nan 0.000 0.459 241 A N -0.180 122.501 122.820 -0.231 0.000 1.940 241 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 241 A C 1.215 178.856 177.584 0.095 0.000 1.176 241 A CA 1.560 53.645 52.037 0.080 0.000 0.631 241 A CB -0.539 18.638 19.000 0.295 0.000 0.814 241 A HN 0.673 nan 8.150 nan 0.000 0.446 242 D N -3.274 117.153 120.400 0.045 0.000 2.704 242 D HA -0.227 4.413 4.640 -0.000 0.000 0.232 242 D C -0.572 175.819 176.300 0.152 0.000 1.183 242 D CA 1.073 55.095 54.000 0.036 0.000 0.647 242 D CB -1.545 39.236 40.800 -0.031 0.000 1.013 242 D HN 0.543 nan 8.370 nan 0.000 0.415 243 Y N -0.264 120.054 120.300 0.030 0.000 2.479 243 Y HA 0.271 4.821 4.550 -0.000 0.000 0.338 243 Y C 0.757 176.711 175.900 0.089 0.000 1.055 243 Y CA -0.884 57.247 58.100 0.052 0.000 1.023 243 Y CB 1.169 39.667 38.460 0.063 0.000 1.287 243 Y HN -0.019 nan 8.280 nan 0.000 0.447 244 E N 1.918 121.829 120.200 -0.483 0.000 2.401 244 E HA -0.056 4.294 4.350 -0.000 0.000 0.199 244 E C 1.080 177.423 176.600 -0.429 0.000 1.023 244 E CA 1.206 57.409 56.400 -0.328 0.000 0.859 244 E CB -0.197 29.408 29.700 -0.158 0.000 0.780 244 E HN 0.871 nan 8.360 nan 0.000 0.523 245 G N 0.910 109.162 108.800 -0.912 0.000 2.985 245 G HA2 0.192 4.152 3.960 -0.000 0.000 0.209 245 G HA3 0.192 4.152 3.960 -0.000 0.000 0.209 245 G C 0.270 175.204 174.900 0.057 0.000 1.165 245 G CA -0.067 44.842 45.100 -0.317 0.000 0.776 245 G HN 0.110 nan 8.290 nan 0.000 0.541 246 V N 1.288 121.256 119.914 0.091 0.000 2.531 246 V HA 0.459 4.579 4.120 -0.000 0.000 0.301 246 V C -0.548 175.628 176.094 0.137 0.000 1.034 246 V CA -0.829 61.583 62.300 0.187 0.000 0.865 246 V CB 1.987 33.986 31.823 0.292 0.000 0.995 246 V HN 0.081 nan 8.190 nan 0.000 0.424 247 I N 3.154 123.793 120.570 0.115 0.000 2.377 247 I HA 0.448 4.618 4.170 -0.000 0.000 0.293 247 I C 0.184 176.360 176.117 0.098 0.000 0.987 247 I CA -0.106 61.248 61.300 0.089 0.000 1.185 247 I CB 1.967 39.958 38.000 -0.015 0.000 1.341 247 I HN 0.592 nan 8.210 nan 0.000 0.455 248 S N 5.904 121.688 115.700 0.140 0.000 2.594 248 S HA 0.445 4.915 4.470 -0.000 0.000 0.322 248 S C -0.557 174.147 174.600 0.175 0.000 1.085 248 S CA -0.597 57.694 58.200 0.151 0.000 1.116 248 S CB 0.622 63.918 63.200 0.160 0.000 0.979 248 S HN 0.307 nan 8.310 nan 0.000 0.465 249 V N 7.151 127.153 119.914 0.147 0.000 2.455 249 V HA 0.248 4.367 4.120 -0.000 0.000 0.273 249 V C 1.416 177.637 176.094 0.211 0.000 1.045 249 V CA -0.064 62.363 62.300 0.212 0.000 0.976 249 V CB 1.108 33.056 31.823 0.209 0.000 0.993 249 V HN 0.930 nan 8.190 nan 0.000 0.475 250 K N 3.972 124.504 120.400 0.221 0.000 2.099 250 K HA 0.019 4.338 4.320 -0.000 0.000 0.203 250 K C 0.841 177.603 176.600 0.271 0.000 1.047 250 K CA 0.777 57.182 56.287 0.198 0.000 0.963 250 K CB 0.260 32.831 32.500 0.120 0.000 0.759 250 K HN 0.896 nan 8.250 nan 0.000 0.451 251 N N -0.952 117.959 118.700 0.352 0.000 2.653 251 N HA 0.321 5.061 4.740 -0.000 0.000 0.294 251 N C -0.191 175.528 175.510 0.349 0.000 1.305 251 N CA -0.639 52.612 53.050 0.335 0.000 0.827 251 N CB 1.017 39.714 38.487 0.350 0.000 1.415 251 N HN 0.041 nan 8.380 nan 0.000 0.546 252 G N -1.375 107.527 108.800 0.171 0.000 2.971 252 G HA2 0.709 4.668 3.960 -0.000 0.000 0.235 252 G HA3 0.709 4.668 3.960 -0.000 0.000 0.235 252 G C -0.664 174.127 174.900 -0.182 0.000 1.351 252 G CA -0.229 44.886 45.100 0.024 0.000 1.039 252 G HN 0.922 nan 8.290 nan 0.000 0.563 253 V N -3.720 115.957 119.914 -0.395 0.000 3.167 253 V HA 0.840 4.960 4.120 -0.000 0.000 0.310 253 V C -0.950 174.906 176.094 -0.397 0.000 1.207 253 V CA -1.021 60.965 62.300 -0.524 0.000 1.059 253 V CB 1.545 32.752 31.823 -1.027 0.000 1.079 253 V HN 0.620 nan 8.190 nan 0.000 0.446 254 V N 2.473 122.178 119.914 -0.348 0.000 2.409 254 V HA 0.491 4.611 4.120 -0.000 0.000 0.291 254 V C 0.064 176.003 176.094 -0.257 0.000 1.020 254 V CA -0.430 61.721 62.300 -0.247 0.000 0.848 254 V CB 1.193 32.912 31.823 -0.173 0.000 0.990 254 V HN 0.790 nan 8.190 nan 0.000 0.430 255 L N 3.107 124.200 121.223 -0.218 0.000 2.456 255 L HA 0.424 4.764 4.340 -0.000 0.000 0.257 255 L C 1.851 178.653 176.870 -0.113 0.000 1.162 255 L CA -0.189 54.547 54.840 -0.172 0.000 0.808 255 L CB 0.712 42.693 42.059 -0.130 0.000 1.136 255 L HN 0.741 nan 8.230 nan 0.000 0.466 256 A N 0.822 123.592 122.820 -0.083 0.000 2.019 256 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 256 A C 1.538 179.093 177.584 -0.048 0.000 1.164 256 A CA 1.608 53.610 52.037 -0.059 0.000 0.644 256 A CB -0.563 18.413 19.000 -0.040 0.000 0.805 256 A HN 0.918 nan 8.150 nan 0.000 0.449 257 D N -2.093 118.279 120.400 -0.046 0.000 2.336 257 D HA 0.243 4.883 4.640 -0.000 0.000 0.229 257 D C 1.173 177.447 176.300 -0.043 0.000 1.061 257 D CA 1.002 54.981 54.000 -0.036 0.000 0.875 257 D CB -0.458 40.326 40.800 -0.027 0.000 0.904 257 D HN 0.731 nan 8.370 nan 0.000 0.525 258 G N -0.188 108.578 108.800 -0.057 0.000 2.217 258 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.246 258 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.246 258 G C 0.484 175.343 174.900 -0.068 0.000 0.990 258 G CA 0.223 45.287 45.100 -0.059 0.000 0.627 258 G HN 0.448 nan 8.290 nan 0.000 0.522 259 T N 1.546 116.057 114.554 -0.070 0.000 2.908 259 T HA 0.429 4.778 4.350 -0.000 0.000 0.301 259 T C 0.337 174.974 174.700 -0.105 0.000 1.019 259 T CA 0.580 62.635 62.100 -0.075 0.000 1.152 259 T CB 1.155 69.983 68.868 -0.066 0.000 0.966 259 T HN 0.306 nan 8.240 nan 0.000 0.540 260 I N 4.191 124.705 120.570 -0.094 0.000 2.330 260 I HA 0.318 4.488 4.170 -0.000 0.000 0.289 260 I C -0.045 176.009 176.117 -0.104 0.000 1.001 260 I CA -0.118 61.116 61.300 -0.111 0.000 1.193 260 I CB 0.938 38.886 38.000 -0.086 0.000 1.345 260 I HN 0.418 nan 8.210 nan 0.000 0.461 261 L N 5.957 127.094 121.223 -0.144 0.000 2.295 261 L HA 0.521 4.861 4.340 -0.000 0.000 0.285 261 L C 0.776 177.601 176.870 -0.076 0.000 1.035 261 L CA -0.724 54.052 54.840 -0.107 0.000 0.806 261 L CB 1.530 43.504 42.059 -0.143 0.000 1.214 261 L HN 0.652 nan 8.230 nan 0.000 0.426 262 T N -0.719 113.821 114.554 -0.025 0.000 2.754 262 T HA 0.293 4.642 4.350 -0.000 0.000 0.286 262 T C 1.252 175.985 174.700 0.054 0.000 0.997 262 T CA -0.032 62.074 62.100 0.009 0.000 0.982 262 T CB 1.317 70.194 68.868 0.015 0.000 1.027 262 T HN 0.632 nan 8.240 nan 0.000 0.529 263 A N 0.639 123.514 122.820 0.091 0.000 1.902 263 A HA 0.192 4.512 4.320 -0.000 0.000 0.217 263 A C 2.674 180.335 177.584 0.129 0.000 1.181 263 A CA 1.791 53.920 52.037 0.153 0.000 0.623 263 A CB -1.599 17.498 19.000 0.162 0.000 0.818 263 A HN 1.220 nan 8.150 nan 0.000 0.443 264 A N -0.582 122.284 122.820 0.077 0.000 1.908 264 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 264 A C 2.121 179.740 177.584 0.060 0.000 1.181 264 A CA 1.753 53.819 52.037 0.048 0.000 0.627 264 A CB -0.598 18.410 19.000 0.013 0.000 0.818 264 A HN 0.661 nan 8.150 nan 0.000 0.445 265 Q N -0.878 118.960 119.800 0.062 0.000 2.167 265 Q HA -0.003 4.337 4.340 -0.000 0.000 0.202 265 Q C 2.276 178.360 176.000 0.141 0.000 0.970 265 Q CA 1.043 56.889 55.803 0.072 0.000 0.855 265 Q CB -0.335 28.429 28.738 0.043 0.000 0.911 265 Q HN 0.686 nan 8.270 nan 0.000 0.438 266 A N 1.066 123.994 122.820 0.180 0.000 2.121 266 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 266 A C 2.249 180.048 177.584 0.359 0.000 1.154 266 A CA 1.615 53.850 52.037 0.330 0.000 0.679 266 A CB -0.838 18.385 19.000 0.371 0.000 0.795 266 A HN 0.526 nan 8.150 nan 0.000 0.458 267 T N -2.148 112.534 114.554 0.214 0.000 2.881 267 T HA -0.002 4.348 4.350 -0.000 0.000 0.270 267 T C 1.856 176.632 174.700 0.127 0.000 1.068 267 T CA 1.540 63.723 62.100 0.139 0.000 1.131 267 T CB -0.533 68.376 68.868 0.069 0.000 0.871 267 T HN 0.541 nan 8.240 nan 0.000 0.479 268 A N 0.881 123.791 122.820 0.150 0.000 1.858 268 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 268 A C 2.076 179.735 177.584 0.126 0.000 1.190 268 A CA 1.572 53.680 52.037 0.117 0.000 0.617 268 A CB -1.523 17.550 19.000 0.122 0.000 0.827 268 A HN 0.772 nan 8.150 nan 0.000 0.443 269 W N 0.593 121.905 121.300 0.020 0.000 2.358 269 W HA -0.152 4.508 4.660 -0.000 0.000 0.303 269 W C 1.999 178.479 176.519 -0.064 0.000 1.208 269 W CA 2.211 59.495 57.345 -0.101 0.000 1.274 269 W CB -0.291 28.932 29.460 -0.396 0.000 1.138 269 W HN 0.111 nan 8.180 nan 0.000 0.515 270 V N 1.414 121.475 119.914 0.246 0.000 2.332 270 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 270 V C 2.468 178.416 176.094 -0.243 0.000 1.055 270 V CA 2.201 64.477 62.300 -0.041 0.000 1.038 270 V CB -1.785 29.969 31.823 -0.114 0.000 0.651 270 V HN 0.351 nan 8.190 nan 0.000 0.450 271 A N 0.439 123.181 122.820 -0.129 0.000 1.898 271 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 271 A C 2.423 179.920 177.584 -0.145 0.000 1.181 271 A CA 1.830 53.809 52.037 -0.096 0.000 0.620 271 A CB -1.160 17.832 19.000 -0.012 0.000 0.819 271 A HN 0.521 nan 8.150 nan 0.000 0.442 272 G N -0.548 108.127 108.800 -0.208 0.000 2.402 272 G HA2 0.040 4.000 3.960 -0.000 0.000 0.216 272 G HA3 0.040 4.000 3.960 -0.000 0.000 0.216 272 G C 1.720 176.407 174.900 -0.355 0.000 1.162 272 G CA 1.342 46.298 45.100 -0.240 0.000 0.777 272 G HN 0.767 nan 8.290 nan 0.000 0.539 273 A N 0.194 122.634 122.820 -0.634 0.000 1.930 273 A HA 0.027 4.346 4.320 -0.000 0.000 0.217 273 A C 2.517 179.904 177.584 -0.328 0.000 1.175 273 A CA 2.353 53.990 52.037 -0.668 0.000 0.627 273 A CB -0.801 17.421 19.000 -1.298 0.000 0.815 273 A HN 0.286 nan 8.150 nan 0.000 0.443 274 T N 0.175 114.576 114.554 -0.255 0.000 2.737 274 T HA 0.024 4.374 4.350 -0.000 0.000 0.265 274 T C 2.251 176.902 174.700 -0.082 0.000 1.038 274 T CA 1.497 63.524 62.100 -0.121 0.000 1.144 274 T CB -0.404 68.407 68.868 -0.095 0.000 0.866 274 T HN 0.573 nan 8.240 nan 0.000 0.434 275 A N 1.282 124.052 122.820 -0.083 0.000 1.902 275 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 275 A C 2.572 180.127 177.584 -0.049 0.000 1.181 275 A CA 1.762 53.776 52.037 -0.039 0.000 0.623 275 A CB -1.205 17.787 19.000 -0.013 0.000 0.818 275 A HN 0.514 nan 8.150 nan 0.000 0.443 276 G N -0.629 108.120 108.800 -0.086 0.000 2.511 276 G HA2 0.310 4.270 3.960 -0.000 0.000 0.217 276 G HA3 0.310 4.270 3.960 -0.000 0.000 0.217 276 G C 0.783 175.649 174.900 -0.056 0.000 1.133 276 G CA 0.648 45.705 45.100 -0.072 0.000 0.792 276 G HN 0.832 nan 8.290 nan 0.000 0.539 277 A N 0.621 123.404 122.820 -0.062 0.000 2.477 277 A HA 0.526 4.846 4.320 -0.000 0.000 0.246 277 A C 0.654 178.225 177.584 -0.023 0.000 1.078 277 A CA -0.299 51.717 52.037 -0.035 0.000 0.770 277 A CB 0.273 19.257 19.000 -0.026 0.000 1.011 277 A HN 0.438 nan 8.150 nan 0.000 0.494 278 R N 1.075 121.566 120.500 -0.015 0.000 2.577 278 R HA 0.270 4.610 4.340 -0.000 0.000 0.269 278 R C 1.392 177.680 176.300 -0.019 0.000 1.084 278 R CA 0.021 56.111 56.100 -0.016 0.000 1.163 278 R CB 0.458 30.750 30.300 -0.014 0.000 1.100 278 R HN 0.701 nan 8.270 nan 0.000 0.547 279 V N -0.867 119.031 119.914 -0.026 0.000 3.026 279 V HA -0.176 3.944 4.120 -0.000 0.000 0.265 279 V C 0.922 176.997 176.094 -0.031 0.000 1.121 279 V CA 1.698 63.978 62.300 -0.033 0.000 1.142 279 V CB -0.935 30.862 31.823 -0.044 0.000 0.730 279 V HN 0.843 nan 8.190 nan 0.000 0.503 280 N N -0.336 118.348 118.700 -0.026 0.000 2.203 280 N HA 0.142 4.882 4.740 -0.000 0.000 0.207 280 N C 0.057 175.562 175.510 -0.008 0.000 1.130 280 N CA -0.173 52.864 53.050 -0.021 0.000 0.861 280 N CB -0.002 38.470 38.487 -0.026 0.000 1.005 280 N HN 0.726 nan 8.380 nan 0.000 0.507 281 E N -0.120 120.078 120.200 -0.002 0.000 2.195 281 E HA 0.407 4.757 4.350 -0.000 0.000 0.271 281 E C -1.155 175.459 176.600 0.023 0.000 0.923 281 E CA -0.816 55.591 56.400 0.013 0.000 0.790 281 E CB 1.839 31.548 29.700 0.015 0.000 1.155 281 E HN 0.092 nan 8.360 nan 0.000 0.402 282 S N 2.426 118.149 115.700 0.039 0.000 2.503 282 S HA 0.314 4.784 4.470 -0.000 0.000 0.301 282 S C 0.560 175.215 174.600 0.092 0.000 1.087 282 S CA -0.664 57.570 58.200 0.057 0.000 1.042 282 S CB 0.704 63.930 63.200 0.043 0.000 1.043 282 S HN 0.576 nan 8.310 nan 0.000 0.489 283 L N 2.697 123.996 121.223 0.127 0.000 2.554 283 L HA 0.098 4.438 4.340 -0.000 0.000 0.226 283 L C 0.886 177.868 176.870 0.188 0.000 1.137 283 L CA 0.213 55.169 54.840 0.192 0.000 0.863 283 L CB -0.650 41.583 42.059 0.289 0.000 0.985 283 L HN 0.631 nan 8.230 nan 0.000 0.451 284 T N 0.387 115.018 114.554 0.129 0.000 2.800 284 T HA -0.130 4.219 4.350 -0.000 0.000 0.283 284 T C 0.261 175.118 174.700 0.261 0.000 0.999 284 T CA 0.376 62.558 62.100 0.136 0.000 1.176 284 T CB -0.130 68.781 68.868 0.072 0.000 0.973 284 T HN 0.240 nan 8.240 nan 0.000 0.519 285 Y N 0.151 120.474 120.300 0.038 0.000 4.604 285 Y HA -0.240 4.310 4.550 -0.000 0.000 0.230 285 Y C 0.984 176.945 175.900 0.102 0.000 1.066 285 Y CA 0.380 58.517 58.100 0.061 0.000 1.990 285 Y CB -2.016 36.468 38.460 0.040 0.000 1.619 285 Y HN 0.671 nan 8.280 nan 0.000 0.649 286 Q N -0.173 119.761 119.800 0.223 0.000 2.259 286 Q HA 0.562 4.902 4.340 -0.000 0.000 0.246 286 Q C 0.881 177.010 176.000 0.215 0.000 0.920 286 Q CA 0.136 56.073 55.803 0.223 0.000 0.895 286 Q CB 1.406 30.315 28.738 0.284 0.000 1.220 286 Q HN 0.438 nan 8.270 nan 0.000 0.439 287 G N 0.700 109.598 108.800 0.163 0.000 2.400 287 G HA2 0.177 4.136 3.960 -0.000 0.000 0.301 287 G HA3 0.177 4.136 3.960 -0.000 0.000 0.301 287 G C -1.300 173.632 174.900 0.053 0.000 1.154 287 G CA -0.320 44.836 45.100 0.094 0.000 0.852 287 G HN 0.539 nan 8.290 nan 0.000 0.511 288 Y N 2.352 122.442 120.300 -0.350 0.000 2.537 288 Y HA 0.060 4.610 4.550 -0.000 0.000 0.339 288 Y C 0.587 176.140 175.900 -0.578 0.000 1.066 288 Y CA -0.896 56.602 58.100 -1.003 0.000 1.357 288 Y CB 0.064 37.794 38.460 -1.216 0.000 1.175 288 Y HN 0.453 nan 8.280 nan 0.000 0.525 289 D N 6.984 127.210 120.400 -0.291 0.000 2.581 289 D HA -0.118 4.521 4.640 -0.000 0.000 0.238 289 D C 0.840 177.182 176.300 0.071 0.000 1.145 289 D CA 1.368 55.373 54.000 0.009 0.000 0.866 289 D CB 0.527 41.415 40.800 0.145 0.000 1.151 289 D HN 0.948 nan 8.370 nan 0.000 0.500 290 E N -0.252 119.974 120.200 0.043 0.000 4.223 290 E HA -0.223 4.127 4.350 -0.000 0.000 0.379 290 E C -0.701 175.867 176.600 -0.053 0.000 0.610 290 E CA 0.682 57.091 56.400 0.016 0.000 1.397 290 E CB -0.916 28.810 29.700 0.044 0.000 1.803 290 E HN 0.569 nan 8.360 nan 0.000 0.385 291 A N 0.483 123.244 122.820 -0.097 0.000 2.327 291 A HA 0.537 4.857 4.320 -0.000 0.000 0.283 291 A C 0.997 178.478 177.584 -0.171 0.000 1.127 291 A CA 0.117 52.008 52.037 -0.244 0.000 0.810 291 A CB 1.255 19.962 19.000 -0.489 0.000 1.066 291 A HN 0.720 nan 8.150 nan 0.000 0.492 292 V N -1.759 118.052 119.914 -0.171 0.000 3.432 292 V HA 0.384 4.504 4.120 -0.000 0.000 0.298 292 V C -0.027 175.993 176.094 -0.124 0.000 1.464 292 V CA 0.610 62.837 62.300 -0.121 0.000 1.046 292 V CB -0.188 31.581 31.823 -0.091 0.000 0.887 292 V HN 0.765 nan 8.190 nan 0.000 0.441 293 D N -0.405 119.897 120.400 -0.164 0.000 2.692 293 D HA 0.534 5.174 4.640 -0.000 0.000 0.290 293 D C -1.243 174.946 176.300 -0.185 0.000 1.281 293 D CA 0.449 54.363 54.000 -0.142 0.000 0.804 293 D CB 2.491 43.219 40.800 -0.119 0.000 1.331 293 D HN 0.333 nan 8.370 nan 0.000 0.432 294 V N -1.783 118.046 119.914 -0.141 0.000 2.960 294 V HA 1.044 5.163 4.120 -0.000 0.000 0.315 294 V C -1.049 174.963 176.094 -0.136 0.000 1.087 294 V CA -0.608 61.611 62.300 -0.136 0.000 0.982 294 V CB 1.440 33.247 31.823 -0.027 0.000 1.039 294 V HN 0.851 nan 8.190 nan 0.000 0.437 295 A N 3.794 126.539 122.820 -0.125 0.000 2.442 295 A HA 0.888 5.208 4.320 -0.000 0.000 0.284 295 A C -2.952 174.573 177.584 -0.099 0.000 1.058 295 A CA -1.262 50.698 52.037 -0.129 0.000 0.738 295 A CB 1.549 20.480 19.000 -0.115 0.000 1.242 295 A HN 0.808 nan 8.150 nan 0.000 0.421 296 P HA 0.491 nan 4.420 nan 0.000 0.284 296 P C -0.612 176.365 177.300 -0.538 0.000 1.292 296 P CA -0.479 62.436 63.100 -0.310 0.000 0.800 296 P CB 1.031 32.554 31.700 -0.295 0.000 1.188 297 R N -0.507 119.716 120.500 -0.461 0.000 2.573 297 R HA 0.550 4.890 4.340 -0.000 0.000 0.272 297 R C -0.578 175.399 176.300 -0.538 0.000 1.009 297 R CA -0.329 55.528 56.100 -0.404 0.000 1.059 297 R CB 0.648 30.844 30.300 -0.172 0.000 1.112 297 R HN 0.493 nan 8.270 nan 0.000 0.517 298 Y N -0.982 119.331 120.300 0.020 0.000 2.570 298 Y HA 0.249 4.799 4.550 -0.000 0.000 0.345 298 Y C 0.721 176.632 175.900 0.017 0.000 1.014 298 Y CA -0.972 57.140 58.100 0.020 0.000 1.063 298 Y CB 1.765 40.240 38.460 0.024 0.000 1.272 298 Y HN 0.617 nan 8.280 nan 0.000 0.477 299 T N -2.748 111.923 114.554 0.194 0.000 2.816 299 T HA 0.130 4.480 4.350 -0.000 0.000 0.282 299 T C 0.941 175.700 174.700 0.099 0.000 0.993 299 T CA -0.291 61.874 62.100 0.109 0.000 0.994 299 T CB 0.841 69.756 68.868 0.078 0.000 1.025 299 T HN 0.706 nan 8.240 nan 0.000 0.529 300 N N 0.803 119.543 118.700 0.067 0.000 2.104 300 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 300 N C 2.078 177.612 175.510 0.040 0.000 1.024 300 N CA 1.987 55.069 53.050 0.054 0.000 0.853 300 N CB -0.770 37.742 38.487 0.041 0.000 1.008 300 N HN 0.779 nan 8.380 nan 0.000 0.424 301 A N 0.103 122.944 122.820 0.036 0.000 1.902 301 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 301 A C 2.114 179.704 177.584 0.011 0.000 1.181 301 A CA 1.456 53.506 52.037 0.022 0.000 0.623 301 A CB -0.642 18.371 19.000 0.022 0.000 0.818 301 A HN 0.534 nan 8.150 nan 0.000 0.443 302 Q N -0.567 119.248 119.800 0.025 0.000 2.119 302 Q HA -0.063 4.276 4.340 -0.000 0.000 0.201 302 Q C 1.995 177.940 176.000 -0.092 0.000 0.972 302 Q CA 1.348 57.141 55.803 -0.016 0.000 0.847 302 Q CB -0.293 28.483 28.738 0.062 0.000 0.903 302 Q HN 0.742 nan 8.270 nan 0.000 0.433 303 I N 0.486 121.039 120.570 -0.028 0.000 2.202 303 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 303 I C 2.185 178.273 176.117 -0.048 0.000 1.091 303 I CA 1.105 62.377 61.300 -0.047 0.000 1.368 303 I CB -0.234 37.787 38.000 0.035 0.000 1.058 303 I HN 0.195 nan 8.210 nan 0.000 0.410 304 I N 0.892 121.451 120.570 -0.018 0.000 2.208 304 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 304 I C 2.814 178.916 176.117 -0.024 0.000 1.097 304 I CA 1.432 62.725 61.300 -0.012 0.000 1.363 304 I CB -0.494 37.507 38.000 0.001 0.000 1.051 304 I HN 0.196 nan 8.210 nan 0.000 0.413 305 A N 0.695 123.493 122.820 -0.036 0.000 1.902 305 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 305 A C 2.539 180.086 177.584 -0.062 0.000 1.181 305 A CA 1.829 53.841 52.037 -0.042 0.000 0.623 305 A CB -0.769 18.204 19.000 -0.044 0.000 0.818 305 A HN 0.439 nan 8.150 nan 0.000 0.443 306 A N -0.263 122.495 122.820 -0.104 0.000 1.898 306 A HA -0.004 4.315 4.320 -0.000 0.000 0.216 306 A C 2.173 179.716 177.584 -0.068 0.000 1.181 306 A CA 1.432 53.394 52.037 -0.125 0.000 0.620 306 A CB -0.572 18.286 19.000 -0.236 0.000 0.819 306 A HN 0.466 nan 8.150 nan 0.000 0.442 307 L N -0.943 120.249 121.223 -0.051 0.000 2.017 307 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 307 L C 2.886 179.763 176.870 0.012 0.000 1.073 307 L CA 1.809 56.639 54.840 -0.017 0.000 0.745 307 L CB -0.566 41.487 42.059 -0.011 0.000 0.894 307 L HN 0.576 nan 8.230 nan 0.000 0.432 308 Q N 0.181 119.985 119.800 0.007 0.000 2.234 308 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 308 Q C 1.965 177.967 176.000 0.002 0.000 0.980 308 Q CA 1.509 57.325 55.803 0.022 0.000 0.869 308 Q CB 0.012 28.757 28.738 0.011 0.000 0.912 308 Q HN 0.530 nan 8.270 nan 0.000 0.436 309 A N -0.521 122.289 122.820 -0.017 0.000 2.251 309 A HA 0.292 4.612 4.320 -0.000 0.000 0.209 309 A C 1.317 178.889 177.584 -0.020 0.000 1.187 309 A CA 0.748 52.766 52.037 -0.032 0.000 0.823 309 A CB -0.201 18.773 19.000 -0.043 0.000 0.846 309 A HN 0.577 nan 8.150 nan 0.000 0.486 310 G N -0.267 108.539 108.800 0.009 0.000 2.142 310 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.225 310 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.225 310 G C -0.351 174.585 174.900 0.060 0.000 1.015 310 G CA 0.166 45.290 45.100 0.041 0.000 0.716 310 G HN 0.613 nan 8.290 nan 0.000 0.508 311 E N -0.703 119.520 120.200 0.038 0.000 2.216 311 E HA 0.524 4.874 4.350 -0.000 0.000 0.279 311 E C -0.715 175.931 176.600 0.077 0.000 0.997 311 E CA -0.940 55.496 56.400 0.061 0.000 0.817 311 E CB 1.454 31.158 29.700 0.005 0.000 1.096 311 E HN 0.172 nan 8.360 nan 0.000 0.393 312 F N 4.703 124.642 119.950 -0.018 0.000 2.404 312 F HA 0.324 4.851 4.527 -0.000 0.000 0.358 312 F C -0.957 174.762 175.800 -0.134 0.000 1.120 312 F CA -0.690 57.272 58.000 -0.063 0.000 1.144 312 F CB 0.145 39.126 39.000 -0.032 0.000 1.133 312 F HN 0.315 nan 8.300 nan 0.000 0.495 313 L N 3.223 124.282 121.223 -0.273 0.000 2.415 313 L HA 0.728 5.068 4.340 -0.000 0.000 0.256 313 L C -1.845 174.800 176.870 -0.374 0.000 1.010 313 L CA -1.012 53.722 54.840 -0.176 0.000 0.826 313 L CB 1.568 43.631 42.059 0.006 0.000 1.405 313 L HN 0.318 nan 8.230 nan 0.000 0.410 314 F N -0.642 119.392 119.950 0.140 0.000 2.425 314 F HA 0.802 5.329 4.527 -0.000 0.000 0.331 314 F C 0.393 176.223 175.800 0.048 0.000 1.085 314 F CA -0.329 57.710 58.000 0.066 0.000 1.028 314 F CB 2.313 41.343 39.000 0.051 0.000 1.177 314 F HN 0.516 nan 8.300 nan 0.000 0.487 315 T N 1.713 116.366 114.554 0.165 0.000 2.848 315 T HA 0.658 5.008 4.350 -0.000 0.000 0.285 315 T C -0.495 174.211 174.700 0.011 0.000 0.995 315 T CA -0.714 61.434 62.100 0.081 0.000 0.970 315 T CB 1.552 70.450 68.868 0.050 0.000 0.976 315 T HN 0.743 nan 8.240 nan 0.000 0.441 316 A N 2.334 125.151 122.820 -0.005 0.000 2.401 316 A HA 0.707 5.026 4.320 -0.000 0.000 0.259 316 A C 0.340 177.895 177.584 -0.048 0.000 1.103 316 A CA -0.348 51.664 52.037 -0.041 0.000 0.789 316 A CB 0.302 19.274 19.000 -0.047 0.000 1.035 316 A HN 0.772 nan 8.150 nan 0.000 0.491 317 S N 1.370 117.031 115.700 -0.064 0.000 2.584 317 S HA 0.404 4.874 4.470 -0.000 0.000 0.280 317 S C -0.666 173.905 174.600 -0.048 0.000 1.162 317 S CA 0.134 58.301 58.200 -0.056 0.000 0.951 317 S CB 0.824 63.968 63.200 -0.092 0.000 1.108 317 S HN 1.305 nan 8.310 nan 0.000 0.464 318 D N 3.803 124.188 120.400 -0.026 0.000 2.689 318 D HA -0.171 4.469 4.640 -0.000 0.000 0.237 318 D C 0.070 176.353 176.300 -0.028 0.000 1.148 318 D CA 1.643 55.632 54.000 -0.019 0.000 0.656 318 D CB -1.397 39.398 40.800 -0.009 0.000 1.050 318 D HN 0.748 nan 8.370 nan 0.000 0.426 319 N N -0.390 118.288 118.700 -0.037 0.000 2.747 319 N HA -0.224 4.516 4.740 -0.000 0.000 0.249 319 N C -0.625 174.851 175.510 -0.057 0.000 1.107 319 N CA 1.474 54.497 53.050 -0.045 0.000 0.707 319 N CB -1.035 37.431 38.487 -0.036 0.000 1.054 319 N HN 0.719 nan 8.380 nan 0.000 0.555 320 Q N -0.832 118.929 119.800 -0.065 0.000 2.495 320 Q HA 0.737 5.077 4.340 -0.000 0.000 0.287 320 Q C -0.879 175.065 176.000 -0.092 0.000 1.078 320 Q CA -0.762 54.996 55.803 -0.076 0.000 0.793 320 Q CB 2.059 30.763 28.738 -0.058 0.000 1.459 320 Q HN 0.234 nan 8.270 nan 0.000 0.422 321 A N 1.987 124.742 122.820 -0.108 0.000 2.322 321 A HA 0.518 4.838 4.320 -0.000 0.000 0.327 321 A C -1.102 176.498 177.584 0.026 0.000 1.394 321 A CA -0.362 51.621 52.037 -0.091 0.000 0.921 321 A CB -0.052 18.776 19.000 -0.287 0.000 1.153 321 A HN 0.383 nan 8.150 nan 0.000 0.523 322 L N 2.294 123.523 121.223 0.009 0.000 2.357 322 L HA 0.352 4.692 4.340 -0.000 0.000 0.273 322 L C 0.365 177.291 176.870 0.093 0.000 1.080 322 L CA -0.268 54.556 54.840 -0.026 0.000 0.803 322 L CB 1.615 43.436 42.059 -0.397 0.000 1.174 322 L HN 0.393 nan 8.230 nan 0.000 0.443 323 V N 2.849 122.837 119.914 0.124 0.000 2.479 323 V HA 0.006 4.125 4.120 -0.000 0.000 0.281 323 V C 1.333 177.378 176.094 -0.083 0.000 1.031 323 V CA -0.075 62.184 62.300 -0.067 0.000 1.038 323 V CB 0.825 32.642 31.823 -0.009 0.000 0.981 323 V HN 0.878 nan 8.190 nan 0.000 0.478 324 E N 4.369 124.472 120.200 -0.161 0.000 2.017 324 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 324 E C 0.594 177.198 176.600 0.007 0.000 0.997 324 E CA 1.682 58.080 56.400 -0.003 0.000 0.804 324 E CB 0.192 29.864 29.700 -0.047 0.000 0.757 324 E HN 0.788 nan 8.360 nan 0.000 0.448 325 Q N -0.304 119.386 119.800 -0.183 0.000 2.284 325 Q HA 0.156 4.495 4.340 -0.000 0.000 0.269 325 Q C -1.749 174.078 176.000 -0.289 0.000 1.026 325 Q CA -0.512 55.205 55.803 -0.143 0.000 0.831 325 Q CB 1.805 30.495 28.738 -0.080 0.000 1.322 325 Q HN 0.036 nan 8.270 nan 0.000 0.419 326 D N 3.817 124.139 120.400 -0.130 0.000 2.551 326 D HA 0.238 4.877 4.640 -0.000 0.000 0.223 326 D C -0.642 175.717 176.300 0.098 0.000 1.144 326 D CA 0.001 54.001 54.000 -0.001 0.000 1.025 326 D CB -0.402 40.465 40.800 0.112 0.000 1.085 326 D HN 0.466 nan 8.370 nan 0.000 0.506 327 I N -0.702 119.942 120.570 0.123 0.000 2.892 327 I HA 0.612 4.782 4.170 -0.000 0.000 0.306 327 I C -0.269 175.994 176.117 0.243 0.000 1.078 327 I CA -1.300 60.094 61.300 0.158 0.000 1.032 327 I CB 1.989 40.049 38.000 0.100 0.000 1.229 327 I HN 0.003 nan 8.210 nan 0.000 0.435 328 N N -0.026 118.782 118.700 0.179 0.000 2.604 328 N HA 0.354 5.094 4.740 -0.000 0.000 0.297 328 N C 0.725 176.319 175.510 0.139 0.000 1.266 328 N CA -0.095 53.048 53.050 0.155 0.000 0.961 328 N CB 0.388 38.933 38.487 0.098 0.000 1.166 328 N HN 0.746 nan 8.380 nan 0.000 0.601 329 T N -3.186 111.438 114.554 0.116 0.000 3.160 329 T HA 0.019 4.368 4.350 -0.000 0.000 0.257 329 T C 0.613 175.344 174.700 0.051 0.000 1.147 329 T CA -0.140 62.014 62.100 0.090 0.000 1.064 329 T CB -0.544 68.384 68.868 0.100 0.000 0.949 329 T HN 0.383 nan 8.240 nan 0.000 0.526 330 L N 3.829 125.094 121.223 0.071 0.000 2.562 330 L HA 0.292 4.632 4.340 -0.000 0.000 0.271 330 L C 1.194 177.958 176.870 -0.176 0.000 1.167 330 L CA 0.966 55.817 54.840 0.018 0.000 0.917 330 L CB 0.502 42.646 42.059 0.143 0.000 1.187 330 L HN 0.429 nan 8.230 nan 0.000 0.482 331 T N -1.577 112.713 114.554 -0.439 0.000 2.966 331 T HA 0.168 4.518 4.350 -0.000 0.000 0.254 331 T C 0.730 174.799 174.700 -1.052 0.000 0.961 331 T CA 0.244 61.864 62.100 -0.800 0.000 0.915 331 T CB -0.064 68.605 68.868 -0.331 0.000 1.186 331 T HN 0.448 nan 8.240 nan 0.000 0.505 332 S N 2.885 118.221 115.700 -0.607 0.000 3.483 332 S HA 0.484 4.954 4.470 -0.000 0.000 0.274 332 S C -0.738 173.686 174.600 -0.294 0.000 1.289 332 S CA -0.695 57.285 58.200 -0.367 0.000 0.938 332 S CB -0.966 62.132 63.200 -0.170 0.000 1.453 332 S HN 0.329 nan 8.310 nan 0.000 0.494 333 F N 2.297 122.257 119.950 0.016 0.000 2.418 333 F HA 0.448 4.975 4.527 -0.000 0.000 0.341 333 F C 1.458 177.259 175.800 0.002 0.000 1.120 333 F CA -0.816 57.194 58.000 0.015 0.000 1.232 333 F CB 0.418 39.440 39.000 0.037 0.000 1.175 333 F HN 0.313 nan 8.300 nan 0.000 0.569 334 T N -1.675 112.993 114.554 0.190 0.000 2.831 334 T HA 0.694 5.044 4.350 -0.000 0.000 0.287 334 T C 0.801 175.547 174.700 0.076 0.000 1.070 334 T CA -0.333 61.822 62.100 0.091 0.000 1.010 334 T CB 1.370 70.258 68.868 0.034 0.000 1.264 334 T HN 0.554 nan 8.240 nan 0.000 0.532 335 A N 0.533 123.380 122.820 0.044 0.000 1.883 335 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 335 A C 1.808 179.412 177.584 0.035 0.000 1.186 335 A CA 1.971 54.029 52.037 0.035 0.000 0.624 335 A CB -1.196 17.815 19.000 0.018 0.000 0.822 335 A HN 0.852 nan 8.150 nan 0.000 0.444 336 D N -1.204 119.205 120.400 0.014 0.000 2.317 336 D HA 0.045 4.685 4.640 -0.000 0.000 0.211 336 D C 0.837 177.095 176.300 -0.070 0.000 0.966 336 D CA 1.016 55.017 54.000 0.001 0.000 0.876 336 D CB 0.116 40.907 40.800 -0.015 0.000 0.927 336 D HN 0.465 nan 8.370 nan 0.000 0.519 337 K N 0.600 120.940 120.400 -0.099 0.000 2.752 337 K HA 0.415 4.735 4.320 -0.000 0.000 0.199 337 K C 0.135 176.779 176.600 0.074 0.000 1.069 337 K CA -0.385 55.716 56.287 -0.310 0.000 1.033 337 K CB 0.893 33.126 32.500 -0.446 0.000 1.229 337 K HN -0.053 nan 8.250 nan 0.000 0.572 338 G N 1.476 110.414 108.800 0.230 0.000 2.611 338 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.273 338 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.273 338 G C 0.623 175.452 174.900 -0.118 0.000 1.305 338 G CA -0.443 44.723 45.100 0.111 0.000 1.010 338 G HN 0.681 nan 8.290 nan 0.000 0.509 339 K N -0.735 119.252 120.400 -0.688 0.000 2.280 339 K HA -0.182 4.138 4.320 -0.000 0.000 0.202 339 K C 2.057 178.398 176.600 -0.431 0.000 1.047 339 K CA 1.730 57.254 56.287 -1.272 0.000 0.942 339 K CB -0.124 31.782 32.500 -0.989 0.000 0.739 339 K HN 0.545 nan 8.250 nan 0.000 0.457 340 Q N 0.868 120.553 119.800 -0.191 0.000 2.181 340 Q HA -0.164 4.176 4.340 -0.000 0.000 0.205 340 Q C 1.616 177.535 176.000 -0.135 0.000 0.980 340 Q CA 1.361 57.075 55.803 -0.148 0.000 0.862 340 Q CB -0.724 27.907 28.738 -0.177 0.000 0.905 340 Q HN 0.439 nan 8.270 nan 0.000 0.429 341 F N 1.649 121.575 119.950 -0.040 0.000 2.546 341 F HA 0.062 4.589 4.527 -0.000 0.000 0.298 341 F C 2.358 178.199 175.800 0.067 0.000 1.120 341 F CA 0.865 58.880 58.000 0.026 0.000 1.456 341 F CB -0.206 38.832 39.000 0.064 0.000 1.088 341 F HN 0.196 nan 8.300 nan 0.000 0.572 342 A N -0.453 122.510 122.820 0.239 0.000 2.169 342 A HA 0.003 4.323 4.320 -0.000 0.000 0.212 342 A C 1.033 178.694 177.584 0.128 0.000 1.153 342 A CA 0.134 52.316 52.037 0.242 0.000 0.756 342 A CB -0.359 18.854 19.000 0.356 0.000 0.813 342 A HN 0.146 nan 8.150 nan 0.000 0.471 343 K N 1.247 121.681 120.400 0.057 0.000 2.276 343 K HA 0.190 4.510 4.320 -0.000 0.000 0.285 343 K C -0.052 176.565 176.600 0.028 0.000 1.062 343 K CA -0.512 55.794 56.287 0.032 0.000 0.918 343 K CB 0.641 33.134 32.500 -0.011 0.000 1.055 343 K HN 0.155 nan 8.250 nan 0.000 0.477 344 N N 2.352 121.088 118.700 0.061 0.000 2.289 344 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 344 N C 1.649 177.170 175.510 0.018 0.000 1.016 344 N CA 1.083 54.165 53.050 0.054 0.000 0.872 344 N CB -0.004 38.544 38.487 0.101 0.000 0.973 344 N HN 0.506 nan 8.380 nan 0.000 0.433 345 R N 0.928 121.436 120.500 0.013 0.000 2.092 345 R HA -0.007 4.333 4.340 -0.000 0.000 0.231 345 R C 1.796 178.073 176.300 -0.039 0.000 1.119 345 R CA 0.763 56.858 56.100 -0.007 0.000 0.970 345 R CB -0.080 30.218 30.300 -0.002 0.000 0.864 345 R HN -0.078 nan 8.270 nan 0.000 0.440 346 V N 1.332 121.209 119.914 -0.061 0.000 2.343 346 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 346 V C 2.343 178.359 176.094 -0.129 0.000 1.051 346 V CA 1.391 63.617 62.300 -0.123 0.000 1.036 346 V CB -0.364 31.340 31.823 -0.199 0.000 0.654 346 V HN 0.325 nan 8.190 nan 0.000 0.451 347 I N -0.031 120.488 120.570 -0.084 0.000 2.286 347 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 347 I C 2.612 178.697 176.117 -0.053 0.000 1.115 347 I CA 1.600 62.867 61.300 -0.055 0.000 1.392 347 I CB -1.266 36.723 38.000 -0.017 0.000 1.065 347 I HN 0.332 nan 8.210 nan 0.000 0.418 348 R N -0.005 120.469 120.500 -0.044 0.000 2.081 348 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 348 R C 2.376 178.644 176.300 -0.054 0.000 1.131 348 R CA 1.294 57.368 56.100 -0.042 0.000 0.960 348 R CB -0.590 29.693 30.300 -0.029 0.000 0.856 348 R HN 0.273 nan 8.270 nan 0.000 0.436 349 V N 1.279 121.156 119.914 -0.062 0.000 2.358 349 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 349 V C 1.940 177.982 176.094 -0.087 0.000 1.047 349 V CA 1.554 63.813 62.300 -0.068 0.000 1.035 349 V CB -0.150 31.633 31.823 -0.066 0.000 0.658 349 V HN 0.268 nan 8.190 nan 0.000 0.452 350 L N -0.244 120.919 121.223 -0.101 0.000 2.072 350 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 350 L C 2.407 179.210 176.870 -0.112 0.000 1.079 350 L CA 1.802 56.575 54.840 -0.112 0.000 0.752 350 L CB -0.838 41.164 42.059 -0.095 0.000 0.906 350 L HN 0.310 nan 8.230 nan 0.000 0.436 351 D N 0.303 120.651 120.400 -0.086 0.000 2.178 351 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 351 D C 2.134 178.369 176.300 -0.108 0.000 0.974 351 D CA 1.351 55.298 54.000 -0.089 0.000 0.841 351 D CB -0.265 40.492 40.800 -0.071 0.000 0.953 351 D HN 0.309 nan 8.370 nan 0.000 0.478 352 G N 0.699 109.446 108.800 -0.089 0.000 2.402 352 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 352 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 352 G C 1.771 176.602 174.900 -0.114 0.000 1.162 352 G CA 0.237 45.301 45.100 -0.059 0.000 0.777 352 G HN 0.259 nan 8.290 nan 0.000 0.539 353 I N 0.733 121.176 120.570 -0.211 0.000 2.179 353 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 353 I C 2.598 178.286 176.117 -0.715 0.000 1.088 353 I CA 1.467 62.419 61.300 -0.579 0.000 1.357 353 I CB -0.303 37.355 38.000 -0.571 0.000 1.051 353 I HN 0.237 nan 8.210 nan 0.000 0.409 354 N N 1.270 119.738 118.700 -0.387 0.000 2.028 354 N HA -0.220 4.520 4.740 -0.000 0.000 0.194 354 N C 1.545 176.937 175.510 -0.195 0.000 1.050 354 N CA 2.196 55.096 53.050 -0.251 0.000 0.848 354 N CB -0.209 38.191 38.487 -0.145 0.000 1.038 354 N HN 0.258 nan 8.380 nan 0.000 0.423 355 N N -0.425 118.177 118.700 -0.163 0.000 2.069 355 N HA -0.156 4.583 4.740 -0.000 0.000 0.191 355 N C 0.841 176.267 175.510 -0.139 0.000 1.031 355 N CA 1.342 54.313 53.050 -0.132 0.000 0.852 355 N CB -0.128 38.292 38.487 -0.111 0.000 1.018 355 N HN 0.373 nan 8.380 nan 0.000 0.423 356 D N 0.549 120.857 120.400 -0.152 0.000 2.084 356 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 356 D C 1.783 177.946 176.300 -0.228 0.000 0.990 356 D CA 0.899 54.816 54.000 -0.138 0.000 0.826 356 D CB -0.448 40.307 40.800 -0.075 0.000 0.971 356 D HN 0.128 nan 8.370 nan 0.000 0.453 357 F N 1.251 120.812 119.950 -0.648 0.000 2.065 357 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 357 F C 2.639 177.849 175.800 -0.983 0.000 1.112 357 F CA 0.297 57.654 58.000 -1.073 0.000 1.212 357 F CB -1.185 37.360 39.000 -0.758 0.000 0.975 357 F HN -0.164 nan 8.300 nan 0.000 0.476 358 V N 0.137 119.907 119.914 -0.239 0.000 2.324 358 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 358 V C 2.580 178.578 176.094 -0.160 0.000 1.060 358 V CA 2.272 64.499 62.300 -0.122 0.000 1.042 358 V CB -0.724 31.057 31.823 -0.070 0.000 0.650 358 V HN 0.263 nan 8.190 nan 0.000 0.450 359 R N -0.276 120.108 120.500 -0.193 0.000 2.062 359 R HA -0.098 4.242 4.340 -0.000 0.000 0.229 359 R C 2.266 178.431 176.300 -0.225 0.000 1.128 359 R CA 1.505 57.501 56.100 -0.175 0.000 0.960 359 R CB -0.141 30.082 30.300 -0.129 0.000 0.855 359 R HN 0.348 nan 8.270 nan 0.000 0.432 360 I N 0.782 121.198 120.570 -0.257 0.000 2.179 360 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 360 I C 2.072 178.209 176.117 0.033 0.000 1.088 360 I CA 1.375 62.608 61.300 -0.113 0.000 1.357 360 I CB -1.265 36.630 38.000 -0.175 0.000 1.051 360 I HN 0.107 nan 8.210 nan 0.000 0.409 361 F N 1.427 121.335 119.950 -0.071 0.000 2.146 361 F HA -0.073 4.453 4.527 -0.000 0.000 0.298 361 F C 2.808 178.606 175.800 -0.003 0.000 1.096 361 F CA 0.830 58.784 58.000 -0.078 0.000 1.275 361 F CB -1.709 37.176 39.000 -0.191 0.000 1.008 361 F HN -0.007 nan 8.300 nan 0.000 0.480 362 S N -0.392 115.369 115.700 0.101 0.000 2.447 362 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 362 S C 1.979 176.538 174.600 -0.069 0.000 1.006 362 S CA 0.844 59.051 58.200 0.013 0.000 0.957 362 S CB -0.028 63.152 63.200 -0.033 0.000 0.773 362 S HN 0.233 nan 8.310 nan 0.000 0.507 363 K N 0.444 120.723 120.400 -0.201 0.000 2.172 363 K HA 0.226 4.545 4.320 -0.000 0.000 0.203 363 K C 1.142 177.531 176.600 -0.351 0.000 1.040 363 K CA 0.783 56.816 56.287 -0.423 0.000 0.974 363 K CB -0.379 31.600 32.500 -0.869 0.000 0.857 363 K HN 0.384 nan 8.250 nan 0.000 0.464 364 F N -0.475 119.558 119.950 0.139 0.000 2.765 364 F HA 0.206 4.733 4.527 -0.000 0.000 0.302 364 F C 0.518 176.274 175.800 -0.072 0.000 1.111 364 F CA -0.310 57.726 58.000 0.059 0.000 1.359 364 F CB -0.170 38.887 39.000 0.095 0.000 1.097 364 F HN -0.100 nan 8.300 nan 0.000 0.577 371 N N 2.875 121.564 118.700 -0.018 0.000 3.050 371 N HA 0.203 4.942 4.740 -0.000 0.000 0.289 371 N C -0.215 175.287 175.510 -0.012 0.000 1.209 371 N CA -0.121 52.915 53.050 -0.024 0.000 1.154 371 N CB -0.724 37.745 38.487 -0.032 0.000 1.444 371 N HN 0.721 nan 8.380 nan 0.000 0.529 372 N N -0.628 118.067 118.700 -0.008 0.000 2.761 372 N HA 0.469 5.209 4.740 -0.000 0.000 0.283 372 N C 0.611 176.120 175.510 -0.001 0.000 1.377 372 N CA -0.913 52.135 53.050 -0.004 0.000 0.791 372 N CB 0.759 39.244 38.487 -0.004 0.000 1.540 372 N HN 0.020 nan 8.380 nan 0.000 0.539 373 A N 0.575 123.395 122.820 0.000 0.000 1.884 373 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 373 A C 1.541 179.128 177.584 0.005 0.000 1.197 373 A CA 2.118 54.156 52.037 0.002 0.000 0.637 373 A CB -0.942 18.059 19.000 0.002 0.000 0.827 373 A HN 0.808 nan 8.150 nan 0.000 0.450 374 D N -0.807 119.595 120.400 0.004 0.000 2.117 374 D HA -0.075 4.564 4.640 -0.000 0.000 0.198 374 D C 2.123 178.435 176.300 0.019 0.000 0.982 374 D CA 1.417 55.422 54.000 0.008 0.000 0.828 374 D CB -0.674 40.127 40.800 0.001 0.000 0.967 374 D HN 0.474 nan 8.370 nan 0.000 0.464 375 G N 1.074 109.885 108.800 0.018 0.000 2.446 375 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 375 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 375 G C 1.764 176.691 174.900 0.046 0.000 1.168 375 G CA 0.412 45.536 45.100 0.041 0.000 0.771 375 G HN 0.225 nan 8.290 nan 0.000 0.551 376 R N 0.129 120.633 120.500 0.007 0.000 2.092 376 R HA 0.000 4.340 4.340 -0.000 0.000 0.231 376 R C 2.434 178.730 176.300 -0.006 0.000 1.119 376 R CA 1.248 57.336 56.100 -0.020 0.000 0.970 376 R CB -0.380 29.906 30.300 -0.023 0.000 0.864 376 R HN 0.464 nan 8.270 nan 0.000 0.440 377 N N 0.350 119.058 118.700 0.014 0.000 2.120 377 N HA -0.162 4.577 4.740 -0.000 0.000 0.188 377 N C 1.633 177.167 175.510 0.041 0.000 1.024 377 N CA 0.614 53.677 53.050 0.022 0.000 0.852 377 N CB -0.032 38.468 38.487 0.021 0.000 1.003 377 N HN 0.028 nan 8.380 nan 0.000 0.424 378 L N 1.427 122.689 121.223 0.066 0.000 2.093 378 L HA -0.030 4.309 4.340 -0.000 0.000 0.208 378 L C 1.893 178.858 176.870 0.158 0.000 1.085 378 L CA 1.225 56.133 54.840 0.113 0.000 0.755 378 L CB -0.512 41.625 42.059 0.130 0.000 0.904 378 L HN 0.228 nan 8.230 nan 0.000 0.435 379 L N -0.664 120.621 121.223 0.102 0.000 2.056 379 L HA -0.245 4.095 4.340 -0.000 0.000 0.207 379 L C 2.646 179.454 176.870 -0.103 0.000 1.078 379 L CA 1.619 56.386 54.840 -0.122 0.000 0.749 379 L CB -0.307 41.551 42.059 -0.335 0.000 0.901 379 L HN 0.355 nan 8.230 nan 0.000 0.433 380 K N -0.891 119.482 120.400 -0.045 0.000 2.057 380 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 380 K C 2.274 178.902 176.600 0.048 0.000 1.049 380 K CA 1.736 58.020 56.287 -0.004 0.000 0.931 380 K CB -0.132 32.377 32.500 0.015 0.000 0.714 380 K HN 0.236 nan 8.250 nan 0.000 0.440 381 S N 0.501 116.237 115.700 0.059 0.000 2.368 381 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 381 S C 1.677 176.334 174.600 0.094 0.000 1.030 381 S CA 1.179 59.428 58.200 0.081 0.000 0.999 381 S CB -0.233 63.010 63.200 0.072 0.000 0.844 381 S HN 0.331 nan 8.310 nan 0.000 0.459 382 E N 0.524 120.779 120.200 0.091 0.000 2.150 382 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 382 E C 2.333 178.989 176.600 0.093 0.000 0.985 382 E CA 0.936 57.397 56.400 0.102 0.000 0.814 382 E CB -0.756 29.029 29.700 0.143 0.000 0.752 382 E HN 0.601 nan 8.360 nan 0.000 0.466 383 C N 0.848 120.172 119.300 0.040 0.000 2.466 383 C HA -0.022 4.438 4.460 -0.000 0.000 0.278 383 C C 2.625 177.740 174.990 0.207 0.000 1.288 383 C CA -0.122 58.927 59.018 0.053 0.000 1.722 383 C CB -0.724 26.987 27.740 -0.048 0.000 2.017 383 C HN 0.346 nan 8.230 nan 0.000 0.488 384 I N 2.124 122.818 120.570 0.208 0.000 2.179 384 I HA -0.161 4.009 4.170 -0.000 0.000 0.242 384 I C 2.122 178.374 176.117 0.224 0.000 1.088 384 I CA 1.656 63.136 61.300 0.301 0.000 1.357 384 I CB -1.452 36.712 38.000 0.274 0.000 1.051 384 I HN 0.431 nan 8.210 nan 0.000 0.409 385 N N 0.180 118.983 118.700 0.171 0.000 2.149 385 N HA -0.202 4.537 4.740 -0.000 0.000 0.188 385 N C 1.047 176.620 175.510 0.105 0.000 1.019 385 N CA 0.688 53.814 53.050 0.126 0.000 0.857 385 N CB -0.546 38.004 38.487 0.105 0.000 0.997 385 N HN 0.369 nan 8.380 nan 0.000 0.426 389 T N 2.237 116.701 114.554 -0.151 0.000 2.821 389 T HA 0.111 4.461 4.350 -0.000 0.000 0.267 389 T C 2.044 176.615 174.700 -0.215 0.000 1.046 389 T CA 0.766 62.762 62.100 -0.173 0.000 1.139 389 T CB 0.033 68.769 68.868 -0.221 0.000 0.871 389 T HN 0.109 nan 8.240 nan 0.000 0.454 390 L N 0.680 121.714 121.223 -0.316 0.000 2.093 390 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 390 L C 2.865 179.650 176.870 -0.141 0.000 1.085 390 L CA 1.276 55.959 54.840 -0.262 0.000 0.755 390 L CB -0.449 41.425 42.059 -0.309 0.000 0.904 390 L HN 0.310 nan 8.230 nan 0.000 0.435 391 Q N -0.106 119.628 119.800 -0.110 0.000 2.172 391 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 391 Q C 1.581 177.567 176.000 -0.023 0.000 0.964 391 Q CA 1.375 57.162 55.803 -0.027 0.000 0.855 391 Q CB 0.200 28.970 28.738 0.054 0.000 0.918 391 Q HN 0.439 nan 8.270 nan 0.000 0.444 392 D N 0.689 121.068 120.400 -0.036 0.000 2.178 392 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 392 D C 1.641 177.921 176.300 -0.034 0.000 0.974 392 D CA 1.199 55.183 54.000 -0.027 0.000 0.841 392 D CB -0.079 40.704 40.800 -0.028 0.000 0.953 392 D HN 0.576 nan 8.370 nan 0.000 0.478 393 I N -2.271 118.268 120.570 -0.052 0.000 3.810 393 I HA 0.089 4.258 4.170 -0.000 0.000 0.322 393 I C -0.664 175.429 176.117 -0.040 0.000 1.288 393 I CA -0.006 61.266 61.300 -0.046 0.000 1.143 393 I CB 0.036 38.000 38.000 -0.060 0.000 1.012 393 I HN -0.314 nan 8.210 nan 0.000 0.423 394 D N 1.485 121.864 120.400 -0.036 0.000 2.772 394 D HA -0.231 4.409 4.640 -0.000 0.000 0.233 394 D C 1.243 177.524 176.300 -0.032 0.000 1.143 394 D CA 0.966 54.949 54.000 -0.029 0.000 0.700 394 D CB -0.793 39.992 40.800 -0.024 0.000 1.076 394 D HN 0.696 nan 8.370 nan 0.000 0.430 395 A N -0.247 122.546 122.820 -0.043 0.000 1.943 395 A HA 0.307 4.627 4.320 -0.000 0.000 0.213 395 A C 1.303 178.872 177.584 -0.024 0.000 1.181 395 A CA 1.031 53.042 52.037 -0.044 0.000 0.653 395 A CB 0.243 19.199 19.000 -0.073 0.000 0.833 395 A HN 0.540 nan 8.150 nan 0.000 0.451 396 I N -3.381 117.180 120.570 -0.015 0.000 3.239 396 I HA 0.685 4.855 4.170 -0.000 0.000 0.314 396 I C -1.104 175.042 176.117 0.049 0.000 1.126 396 I CA -1.358 59.966 61.300 0.040 0.000 0.973 396 I CB 2.443 40.474 38.000 0.052 0.000 1.252 396 I HN 0.160 nan 8.210 nan 0.000 0.463 397 K N 0.418 120.872 120.400 0.090 0.000 2.495 397 K HA 0.493 4.813 4.320 -0.000 0.000 0.268 397 K C -0.764 175.883 176.600 0.079 0.000 1.008 397 K CA -0.864 55.438 56.287 0.025 0.000 0.882 397 K CB 1.196 33.628 32.500 -0.113 0.000 1.443 397 K HN 0.696 nan 8.250 nan 0.000 0.447 398 N N -0.088 118.621 118.700 0.015 0.000 2.721 398 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 398 N C -1.212 174.428 175.510 0.215 0.000 1.072 398 N CA 0.879 53.952 53.050 0.038 0.000 0.710 398 N CB -1.356 37.047 38.487 -0.140 0.000 0.993 398 N HN 0.592 nan 8.380 nan 0.000 0.547 399 F N 1.672 121.685 119.950 0.104 0.000 2.411 399 F HA 0.335 4.862 4.527 -0.000 0.000 0.355 399 F C 0.183 176.046 175.800 0.105 0.000 1.117 399 F CA -1.059 57.022 58.000 0.136 0.000 1.139 399 F CB 0.757 39.829 39.000 0.120 0.000 1.120 399 F HN -0.098 nan 8.300 nan 0.000 0.493 400 D N 4.548 124.554 120.400 -0.656 0.000 2.460 400 D HA 0.229 4.868 4.640 -0.000 0.000 0.232 400 D C 1.160 177.005 176.300 -0.758 0.000 1.079 400 D CA -0.137 53.565 54.000 -0.497 0.000 0.864 400 D CB 1.526 42.202 40.800 -0.206 0.000 1.048 400 D HN 0.817 nan 8.370 nan 0.000 0.523 401 G N 2.518 110.918 108.800 -0.667 0.000 2.501 401 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 401 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 401 G C 1.085 175.904 174.900 -0.135 0.000 1.114 401 G CA 0.507 45.411 45.100 -0.326 0.000 0.757 401 G HN 0.516 nan 8.290 nan 0.000 0.559 402 Q N -1.072 118.650 119.800 -0.130 0.000 2.444 402 Q HA 0.075 4.415 4.340 -0.000 0.000 0.206 402 Q C 1.808 177.783 176.000 -0.042 0.000 0.948 402 Q CA 1.075 56.844 55.803 -0.055 0.000 0.946 402 Q CB 0.301 29.015 28.738 -0.039 0.000 1.027 402 Q HN 0.456 nan 8.270 nan 0.000 0.513 403 T N -1.979 112.533 114.554 -0.069 0.000 3.286 403 T HA -0.000 4.349 4.350 -0.000 0.000 0.271 403 T C -0.061 174.659 174.700 0.033 0.000 0.847 403 T CA -0.109 61.987 62.100 -0.007 0.000 0.826 403 T CB 0.191 69.064 68.868 0.008 0.000 1.250 403 T HN -0.011 nan 8.240 nan 0.000 0.686 404 D N 1.458 121.832 120.400 -0.044 0.000 2.328 404 D HA 0.353 4.993 4.640 -0.000 0.000 0.226 404 D C 0.071 176.490 176.300 0.199 0.000 1.066 404 D CA 0.345 54.401 54.000 0.093 0.000 0.861 404 D CB 0.701 41.470 40.800 -0.051 0.000 0.912 404 D HN 0.432 nan 8.370 nan 0.000 0.521 405 L N 0.174 121.483 121.223 0.142 0.000 2.588 405 L HA 0.320 4.660 4.340 -0.000 0.000 0.263 405 L C -1.147 175.782 176.870 0.099 0.000 0.935 405 L CA -0.236 54.704 54.840 0.167 0.000 0.891 405 L CB 1.883 44.121 42.059 0.299 0.000 1.318 405 L HN -0.091 nan 8.230 nan 0.000 0.409 406 T N 0.932 115.527 114.554 0.067 0.000 2.883 406 T HA 0.826 5.176 4.350 -0.000 0.000 0.296 406 T C -1.144 173.574 174.700 0.029 0.000 1.117 406 T CA -0.808 61.320 62.100 0.046 0.000 1.006 406 T CB 2.143 71.036 68.868 0.042 0.000 1.191 406 T HN 0.274 nan 8.240 nan 0.000 0.508 407 V N 1.650 121.574 119.914 0.017 0.000 2.524 407 V HA 0.525 4.645 4.120 -0.000 0.000 0.297 407 V C -0.945 175.159 176.094 0.016 0.000 1.035 407 V CA -0.688 61.612 62.300 -0.001 0.000 0.867 407 V CB 1.436 33.234 31.823 -0.042 0.000 1.004 407 V HN 0.963 nan 8.190 nan 0.000 0.426 408 Q N 1.508 121.335 119.800 0.046 0.000 2.359 408 Q HA 0.692 5.032 4.340 -0.000 0.000 0.275 408 Q C 0.137 176.190 176.000 0.088 0.000 1.082 408 Q CA -0.295 55.543 55.803 0.057 0.000 0.849 408 Q CB 2.047 30.818 28.738 0.056 0.000 1.377 408 Q HN 0.775 nan 8.270 nan 0.000 0.452 413 V N 1.859 121.782 119.914 0.015 0.000 2.515 413 V HA -0.058 4.062 4.120 -0.000 0.000 0.250 413 V C 0.618 176.709 176.094 -0.006 0.000 1.058 413 V CA 2.483 64.786 62.300 0.006 0.000 1.064 413 V CB -0.119 31.705 31.823 0.001 0.000 0.675 413 V HN 0.649 nan 8.190 nan 0.000 0.461 414 D N -0.244 120.146 120.400 -0.016 0.000 2.772 414 D HA 0.416 5.056 4.640 -0.000 0.000 0.272 414 D C -0.018 176.242 176.300 -0.067 0.000 1.314 414 D CA 0.358 54.337 54.000 -0.035 0.000 0.835 414 D CB 0.257 41.038 40.800 -0.032 0.000 1.080 414 D HN 0.445 nan 8.370 nan 0.000 0.482 415 A N 0.081 122.859 122.820 -0.070 0.000 2.331 415 A HA 0.663 4.983 4.320 -0.000 0.000 0.320 415 A C -0.710 176.757 177.584 -0.195 0.000 1.138 415 A CA -0.700 51.241 52.037 -0.161 0.000 0.790 415 A CB 1.669 20.599 19.000 -0.117 0.000 1.206 415 A HN 0.109 nan 8.150 nan 0.000 0.470 416 V N 2.705 122.418 119.914 -0.335 0.000 2.495 416 V HA 0.419 4.539 4.120 -0.000 0.000 0.298 416 V C -1.291 174.539 176.094 -0.440 0.000 1.031 416 V CA -0.393 61.740 62.300 -0.279 0.000 0.871 416 V CB 1.165 32.834 31.823 -0.256 0.000 0.988 416 V HN 0.786 nan 8.190 nan 0.000 0.432 417 Y N 4.501 124.746 120.300 -0.092 0.000 2.364 417 Y HA 0.682 5.232 4.550 -0.000 0.000 0.340 417 Y C 0.081 175.931 175.900 -0.083 0.000 0.975 417 Y CA -0.662 57.393 58.100 -0.074 0.000 1.089 417 Y CB 1.823 40.263 38.460 -0.034 0.000 1.192 417 Y HN 0.447 nan 8.280 nan 0.000 0.454 418 I N 3.499 124.097 120.570 0.048 0.000 2.436 418 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 418 I C -0.739 175.390 176.117 0.020 0.000 1.010 418 I CA -0.696 60.606 61.300 0.004 0.000 1.098 418 I CB 1.844 39.803 38.000 -0.067 0.000 1.266 418 I HN 0.541 nan 8.210 nan 0.000 0.434 419 E N 5.048 125.256 120.200 0.014 0.000 2.210 419 E HA 0.806 5.156 4.350 -0.000 0.000 0.266 419 E C -1.030 175.531 176.600 -0.065 0.000 0.883 419 E CA -0.748 55.624 56.400 -0.047 0.000 0.761 419 E CB 2.759 32.497 29.700 0.065 0.000 1.156 419 E HN 0.713 nan 8.360 nan 0.000 0.412 420 A N 2.511 125.225 122.820 -0.175 0.000 2.594 420 A HA 0.659 4.979 4.320 -0.000 0.000 0.291 420 A C -2.013 175.469 177.584 -0.170 0.000 1.105 420 A CA -0.615 51.389 52.037 -0.055 0.000 0.694 420 A CB 1.059 20.140 19.000 0.135 0.000 1.291 420 A HN 0.510 nan 8.150 nan 0.000 0.410 421 Y N -0.059 120.372 120.300 0.218 0.000 2.350 421 Y HA 0.652 5.202 4.550 -0.000 0.000 0.338 421 Y C 0.419 176.463 175.900 0.239 0.000 0.961 421 Y CA -0.477 57.729 58.100 0.176 0.000 1.100 421 Y CB 2.138 40.682 38.460 0.139 0.000 1.179 421 Y HN 0.963 nan 8.280 nan 0.000 0.454 422 A N 3.578 126.585 122.820 0.312 0.000 2.343 422 A HA 0.593 4.913 4.320 -0.000 0.000 0.316 422 A C -1.838 175.879 177.584 0.222 0.000 1.104 422 A CA -0.583 51.601 52.037 0.246 0.000 0.768 422 A CB 0.919 19.978 19.000 0.100 0.000 1.213 422 A HN 0.731 nan 8.150 nan 0.000 0.456 423 W N 4.603 125.969 121.300 0.111 0.000 2.363 423 W HA 0.441 5.101 4.660 -0.000 0.000 0.314 423 W C -3.004 173.520 176.519 0.008 0.000 0.994 423 W CA -2.818 54.560 57.345 0.054 0.000 1.449 423 W CB 1.299 30.796 29.460 0.062 0.000 1.248 423 W HN 0.421 nan 8.180 nan 0.000 0.409 424 P HA -0.088 nan 4.420 nan 0.000 0.268 424 P C 1.182 178.559 177.300 0.130 0.000 1.205 424 P CA 0.328 63.501 63.100 0.122 0.000 0.771 424 P CB 0.971 32.685 31.700 0.024 0.000 0.858 425 V N 0.606 120.546 119.914 0.045 0.000 2.392 425 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 425 V C 1.023 177.118 176.094 0.002 0.000 1.059 425 V CA 2.080 64.381 62.300 0.000 0.000 1.051 425 V CB -1.377 30.435 31.823 -0.018 0.000 0.658 425 V HN 0.549 nan 8.190 nan 0.000 0.455 426 D N 0.569 120.974 120.400 0.009 0.000 3.057 426 D HA 0.366 5.006 4.640 -0.000 0.000 0.246 426 D C 0.102 176.412 176.300 0.016 0.000 1.238 426 D CA 0.442 54.442 54.000 0.001 0.000 0.949 426 D CB 0.519 41.312 40.800 -0.011 0.000 1.086 426 D HN 0.462 nan 8.370 nan 0.000 0.487 427 S N 1.153 116.894 115.700 0.069 0.000 2.586 427 S HA 0.203 4.673 4.470 -0.000 0.000 0.296 427 S C 0.010 174.782 174.600 0.286 0.000 1.120 427 S CA -0.847 57.423 58.200 0.118 0.000 0.927 427 S CB 0.660 63.912 63.200 0.086 0.000 1.114 427 S HN 0.274 nan 8.310 nan 0.000 0.453 428 I N 1.772 122.492 120.570 0.250 0.000 3.812 428 I HA 0.488 4.658 4.170 -0.000 0.000 0.319 428 I C 0.174 176.613 176.117 0.536 0.000 1.353 428 I CA 0.117 61.647 61.300 0.383 0.000 1.170 428 I CB -1.131 36.969 38.000 0.166 0.000 1.057 428 I HN 0.712 nan 8.210 nan 0.000 0.411 429 E N 1.958 122.367 120.200 0.349 0.000 2.275 429 E HA 0.398 4.748 4.350 -0.000 0.000 0.270 429 E C -0.879 175.300 176.600 -0.702 0.000 0.882 429 E CA -0.716 55.594 56.400 -0.150 0.000 0.758 429 E CB 1.941 31.590 29.700 -0.085 0.000 1.195 429 E HN 0.252 nan 8.360 nan 0.000 0.419 430 K N 3.279 122.899 120.400 -1.299 0.000 2.319 430 K HA 0.318 4.638 4.320 -0.000 0.000 0.265 430 K C -0.026 176.353 176.600 -0.368 0.000 1.000 430 K CA 0.020 55.628 56.287 -1.132 0.000 0.943 430 K CB 0.701 32.525 32.500 -1.127 0.000 0.950 430 K HN 0.415 nan 8.250 nan 0.000 0.485 431 I N 2.077 122.581 120.570 -0.109 0.000 2.433 431 I HA 0.125 4.295 4.170 -0.000 0.000 0.292 431 I C -0.752 175.523 176.117 0.264 0.000 1.001 431 I CA -1.160 60.187 61.300 0.079 0.000 1.119 431 I CB 1.085 39.084 38.000 -0.002 0.000 1.289 431 I HN 0.534 nan 8.210 nan 0.000 0.438 432 Y N 7.260 127.670 120.300 0.182 0.000 2.335 432 Y HA 0.461 5.011 4.550 -0.000 0.000 0.331 432 Y C -0.750 175.173 175.900 0.039 0.000 1.094 432 Y CA -0.367 57.787 58.100 0.091 0.000 1.253 432 Y CB 0.914 39.430 38.460 0.093 0.000 1.203 432 Y HN 0.225 nan 8.280 nan 0.000 0.508 433 V N 8.313 127.849 119.914 -0.630 0.000 2.444 433 V HA 0.471 4.591 4.120 -0.000 0.000 0.294 433 V C -0.524 175.140 176.094 -0.717 0.000 1.022 433 V CA -0.969 61.036 62.300 -0.493 0.000 0.850 433 V CB 1.394 33.097 31.823 -0.199 0.000 0.992 433 V HN 0.759 nan 8.190 nan 0.000 0.426 434 R N 3.897 124.068 120.500 -0.547 0.000 2.393 434 R HA 0.754 5.094 4.340 -0.000 0.000 0.315 434 R C -1.774 174.497 176.300 -0.049 0.000 0.952 434 R CA -0.370 55.547 56.100 -0.306 0.000 0.842 434 R CB 1.898 32.104 30.300 -0.156 0.000 1.163 434 R HN 0.536 nan 8.270 nan 0.000 0.450 435 V N 5.207 125.136 119.914 0.025 0.000 2.417 435 V HA 0.468 4.588 4.120 -0.000 0.000 0.291 435 V C -0.175 175.910 176.094 -0.014 0.000 1.024 435 V CA -0.804 61.531 62.300 0.059 0.000 0.861 435 V CB 1.551 33.450 31.823 0.127 0.000 0.985 435 V HN 0.701 nan 8.190 nan 0.000 0.436 436 R N 5.298 125.760 120.500 -0.063 0.000 2.360 436 R HA 0.693 5.033 4.340 -0.000 0.000 0.318 436 R C -1.473 174.665 176.300 -0.271 0.000 0.950 436 R CA -0.486 55.450 56.100 -0.274 0.000 0.837 436 R CB 1.001 31.222 30.300 -0.132 0.000 1.165 436 R HN 0.739 nan 8.270 nan 0.000 0.458 437 I N 3.902 124.239 120.570 -0.387 0.000 2.433 437 I HA 0.380 4.549 4.170 -0.000 0.000 0.292 437 I C -0.332 175.624 176.117 -0.268 0.000 1.001 437 I CA -0.821 60.303 61.300 -0.294 0.000 1.119 437 I CB 2.045 39.816 38.000 -0.381 0.000 1.289 437 I HN 0.480 nan 8.210 nan 0.000 0.438 438 K N 5.865 126.163 120.400 -0.170 0.000 2.316 438 K HA 0.785 5.105 4.320 -0.000 0.000 0.251 438 K C -1.563 174.986 176.600 -0.085 0.000 0.934 438 K CA -0.526 55.684 56.287 -0.128 0.000 0.802 438 K CB 1.727 34.170 32.500 -0.095 0.000 1.171 438 K HN 0.389 nan 8.250 nan 0.000 0.426 439 L N 0.000 121.182 121.223 -0.069 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.814 54.840 -0.044 0.000 0.813 439 L CB 0.000 42.036 42.059 -0.039 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502