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 1no3_1_A DATA FIRST_RESID 7 DATA SEQUENCE HRGHKIKGTV VLMRKNVLDV NSVTSVGGII GQGLDLVGST LDTLTAFLGR DATA SEQUENCE SVSLQLISAT KADANGKGKL GKATFLEGII TSLPTLGAGQ SAFKINFEWD DATA SEQUENCE DGSGIPGAFY IKNFMQTEFF LVSLTLEDIP NHGSIHFVCN SWIYNAKLFK DATA SEQUENCE SDRIFFANQT YLPSETPAPL VKYREEELHN LRGDGTGERK EWERIYDYDV DATA SEQUENCE YNDLGDPDKG ENHARPVLGG NDTFPYPRRG RTGRKPTRKD PNSESRSNDV DATA SEQUENCE YLPRDEAFGH LKSSDFLTYG LKSVSQNVLP LLQSAFDLNF TPREFDSFDE DATA SEQUENCE VHGLYSGGIK LPTDIISKIS PLPVLKEIFR TDGEQALKFP PPKVIQVSKS DATA SEQUENCE AWMTDEEFAR EMLAGVNPNL IRCLKDFPPR SKLDSQVYGD HTSQITKEHL DATA SEQUENCE EPNLEGLTVD EAIQNKRLFL LDHHDPIMPY LRRINATSTK AYATRTILFL DATA SEQUENCE KNDGTLRPLA IELSLPHPQG DQSGAFSQVF LPADEGVESS IWLLAKAYVV DATA SEQUENCE VNDSCYHQLV SHWLNTHAVV EPFIIATNRH LSVVHPIYKL LHPHYRDTMN DATA SEQUENCE INGLARLSLV NDGGVIEQTF LWGRYSVEMS AVVYKDWVFT DQALPADLIK DATA SEQUENCE RGMAIEDPSC PHGIRLVIED YPYTVDGLEI WDAIKTWVHE YVFLYYKSDD DATA SEQUENCE TLREDPELQA CWKELVEVGH GDKKNEPWWP KMQTREELVE ACAIIIWTAS DATA SEQUENCE ALHAAVNFGQ YPYGGLILNR PTLSRRFMPE KGSAEYEELR KNPQKAYLKT DATA SEQUENCE ITPKFQTLID LSVIEILSRH ASDEVYLGER DNPNWTSDTR ALEAFKRFGN DATA SEQUENCE KLAQIENKLS ERNNDEKLRN RCGPVQMPYT LLLPSSKEGL TFRGIPNSIS DATA SEQUENCE I 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 7 H HA 0.000 nan 4.556 nan 0.000 0.296 7 H C 0.000 175.344 175.328 0.027 0.000 0.993 7 H CA 0.000 56.058 56.048 0.017 0.000 1.023 7 H CB 0.000 29.769 29.762 0.012 0.000 1.292 8 R N 1.029 121.634 120.500 0.175 0.000 2.536 8 R HA 0.428 4.776 4.340 0.014 0.000 0.269 8 R C -1.221 175.165 176.300 0.144 0.000 1.113 8 R CA -0.236 55.945 56.100 0.136 0.000 0.948 8 R CB 1.564 31.952 30.300 0.146 0.000 1.237 8 R HN 0.366 nan 8.270 nan 0.000 0.441 9 G N 3.182 112.055 108.800 0.123 0.000 2.356 9 G HA2 0.198 4.167 3.960 0.014 0.000 0.273 9 G HA3 0.198 4.167 3.960 0.014 0.000 0.273 9 G C -0.724 174.291 174.900 0.193 0.000 1.213 9 G CA 0.085 45.264 45.100 0.132 0.000 0.955 9 G HN 0.656 nan 8.290 nan 0.000 0.454 10 H N 1.238 120.377 119.070 0.113 0.000 2.737 10 H HA 0.591 5.155 4.556 0.014 0.000 0.358 10 H C -0.327 175.084 175.328 0.138 0.000 1.187 10 H CA -0.700 55.418 56.048 0.118 0.000 1.221 10 H CB 1.686 31.524 29.762 0.127 0.000 1.799 10 H HN 0.331 nan 8.280 nan 0.000 0.568 11 K N 2.532 122.662 120.400 -0.450 0.000 2.307 11 K HA 0.345 4.674 4.320 0.014 0.000 0.263 11 K C -0.632 175.873 176.600 -0.158 0.000 0.973 11 K CA -0.470 55.700 56.287 -0.196 0.000 0.846 11 K CB 1.086 33.478 32.500 -0.179 0.000 1.100 11 K HN 0.470 nan 8.250 nan 0.000 0.438 12 I N 4.176 124.793 120.570 0.078 0.000 2.416 12 I HA 0.074 4.252 4.170 0.014 0.000 0.288 12 I C 0.083 176.251 176.117 0.084 0.000 1.051 12 I CA -0.278 61.080 61.300 0.097 0.000 1.375 12 I CB 0.656 38.678 38.000 0.036 0.000 1.407 12 I HN 0.323 nan 8.210 nan 0.000 0.516 13 K N 5.415 125.835 120.400 0.034 0.000 2.285 13 K HA 0.435 4.764 4.320 0.014 0.000 0.286 13 K C 0.244 176.852 176.600 0.014 0.000 1.072 13 K CA -0.313 55.973 56.287 -0.003 0.000 0.913 13 K CB 1.205 33.695 32.500 -0.018 0.000 1.067 13 K HN 0.783 nan 8.250 nan 0.000 0.479 14 G N 1.141 109.945 108.800 0.006 0.000 2.388 14 G HA2 0.388 4.356 3.960 0.014 0.000 0.330 14 G HA3 0.388 4.356 3.960 0.014 0.000 0.330 14 G C -0.753 174.116 174.900 -0.052 0.000 1.142 14 G CA -0.452 44.658 45.100 0.017 0.000 0.908 14 G HN 0.454 nan 8.290 nan 0.000 0.473 15 T N -0.478 114.042 114.554 -0.056 0.000 2.812 15 T HA 0.556 4.914 4.350 0.014 0.000 0.282 15 T C -0.712 173.951 174.700 -0.061 0.000 0.990 15 T CA -0.563 61.504 62.100 -0.056 0.000 0.960 15 T CB 1.514 70.352 68.868 -0.051 0.000 0.948 15 T HN 0.355 nan 8.240 nan 0.000 0.438 16 V N 5.110 124.998 119.914 -0.043 0.000 2.394 16 V HA 0.530 4.658 4.120 0.014 0.000 0.282 16 V C -0.056 176.033 176.094 -0.008 0.000 1.031 16 V CA -0.659 61.611 62.300 -0.051 0.000 0.881 16 V CB 1.644 33.435 31.823 -0.053 0.000 0.982 16 V HN 0.871 nan 8.190 nan 0.000 0.451 17 V N 6.817 126.713 119.914 -0.029 0.000 2.398 17 V HA 0.611 4.740 4.120 0.014 0.000 0.286 17 V C -0.230 175.846 176.094 -0.031 0.000 1.026 17 V CA -0.399 61.886 62.300 -0.025 0.000 0.868 17 V CB 1.389 33.201 31.823 -0.019 0.000 0.982 17 V HN 0.784 nan 8.190 nan 0.000 0.443 18 L N 2.958 124.164 121.223 -0.028 0.000 2.322 18 L HA 0.851 5.200 4.340 0.014 0.000 0.252 18 L C -0.730 176.143 176.870 0.006 0.000 1.055 18 L CA -0.871 53.953 54.840 -0.027 0.000 0.849 18 L CB 2.175 44.160 42.059 -0.123 0.000 1.446 18 L HN 0.470 nan 8.230 nan 0.000 0.416 19 M N 0.806 120.459 119.600 0.088 0.000 2.259 19 M HA 0.546 5.035 4.480 0.014 0.000 0.304 19 M C -0.615 175.781 176.300 0.160 0.000 1.019 19 M CA -0.466 54.895 55.300 0.102 0.000 0.922 19 M CB 2.352 35.030 32.600 0.130 0.000 1.600 19 M HN 0.614 nan 8.290 nan 0.000 0.433 20 R N 1.430 122.031 120.500 0.168 0.000 2.594 20 R HA 0.095 4.444 4.340 0.014 0.000 0.272 20 R C 1.263 177.756 176.300 0.321 0.000 1.074 20 R CA 0.091 56.366 56.100 0.292 0.000 1.105 20 R CB 0.833 31.290 30.300 0.262 0.000 1.008 20 R HN 0.621 nan 8.270 nan 0.000 0.472 21 K N 2.493 123.147 120.400 0.423 0.000 2.044 21 K HA -0.282 4.047 4.320 0.014 0.000 0.210 21 K C 0.909 177.691 176.600 0.303 0.000 1.049 21 K CA 1.843 58.412 56.287 0.469 0.000 0.927 21 K CB -0.035 32.681 32.500 0.359 0.000 0.713 21 K HN 0.584 nan 8.250 nan 0.000 0.443 22 N N 0.293 119.123 118.700 0.218 0.000 2.247 22 N HA -0.169 4.579 4.740 0.014 0.000 0.189 22 N C 1.595 177.191 175.510 0.143 0.000 1.009 22 N CA 1.221 54.360 53.050 0.149 0.000 0.872 22 N CB 0.011 38.574 38.487 0.128 0.000 0.980 22 N HN 0.077 nan 8.380 nan 0.000 0.436 23 V N 0.501 120.515 119.914 0.168 0.000 3.354 23 V HA 0.002 4.131 4.120 0.014 0.000 0.258 23 V C 1.443 177.639 176.094 0.171 0.000 1.159 23 V CA 0.749 63.134 62.300 0.142 0.000 1.125 23 V CB 0.215 32.109 31.823 0.118 0.000 0.774 23 V HN 0.159 nan 8.190 nan 0.000 0.464 24 L N -0.853 120.508 121.223 0.230 0.000 2.701 24 L HA 0.392 4.741 4.340 0.014 0.000 0.238 24 L C 0.339 177.430 176.870 0.368 0.000 1.106 24 L CA 0.514 55.523 54.840 0.283 0.000 0.898 24 L CB 0.167 42.422 42.059 0.326 0.000 1.188 24 L HN 0.233 nan 8.230 nan 0.000 0.508 25 D N -1.188 119.352 120.400 0.233 0.000 2.225 25 D HA 0.086 4.735 4.640 0.014 0.000 0.248 25 D C 1.280 177.494 176.300 -0.143 0.000 1.096 25 D CA 0.102 54.147 54.000 0.076 0.000 0.863 25 D CB 2.055 42.872 40.800 0.028 0.000 1.156 25 D HN -0.153 nan 8.370 nan 0.000 0.450 26 V N 4.886 124.488 119.914 -0.519 0.000 2.324 26 V HA -0.254 3.875 4.120 0.014 0.000 0.250 26 V C 1.521 177.252 176.094 -0.606 0.000 1.060 26 V CA 1.942 63.578 62.300 -1.107 0.000 1.042 26 V CB -0.387 30.534 31.823 -1.502 0.000 0.650 26 V HN 0.596 nan 8.190 nan 0.000 0.450 27 N N 0.288 118.771 118.700 -0.361 0.000 2.270 27 N HA -0.101 4.647 4.740 0.014 0.000 0.181 27 N C 1.930 177.360 175.510 -0.134 0.000 1.016 27 N CA 1.714 54.635 53.050 -0.215 0.000 0.870 27 N CB -0.120 38.296 38.487 -0.118 0.000 0.979 27 N HN 0.730 nan 8.380 nan 0.000 0.431 28 S N -0.205 115.435 115.700 -0.100 0.000 2.475 28 S HA 0.090 4.568 4.470 0.014 0.000 0.224 28 S C 1.916 176.498 174.600 -0.030 0.000 1.042 28 S CA -0.080 58.097 58.200 -0.039 0.000 0.935 28 S CB -0.311 62.893 63.200 0.007 0.000 0.801 28 S HN -0.038 nan 8.310 nan 0.000 0.509 29 V N 3.674 123.560 119.914 -0.046 0.000 3.078 29 V HA -0.052 4.077 4.120 0.014 0.000 0.265 29 V C 1.606 177.691 176.094 -0.015 0.000 1.122 29 V CA 1.756 64.060 62.300 0.006 0.000 1.141 29 V CB -1.223 30.661 31.823 0.102 0.000 0.735 29 V HN 0.828 nan 8.190 nan 0.000 0.498 30 T N -1.385 113.123 114.554 -0.076 0.000 3.928 30 T HA 0.014 4.372 4.350 0.014 0.000 0.247 30 T C 1.058 175.748 174.700 -0.016 0.000 0.955 30 T CA 0.674 62.739 62.100 -0.058 0.000 0.935 30 T CB -0.489 68.320 68.868 -0.099 0.000 1.180 30 T HN 0.624 nan 8.240 nan 0.000 0.660 31 S N -1.176 114.526 115.700 0.003 0.000 2.728 31 S HA 0.353 4.831 4.470 0.014 0.000 0.257 31 S C 0.036 174.650 174.600 0.023 0.000 1.060 31 S CA -0.463 57.745 58.200 0.013 0.000 1.126 31 S CB 0.522 63.730 63.200 0.013 0.000 1.099 31 S HN 0.306 nan 8.310 nan 0.000 0.617 32 V N 1.600 121.534 119.914 0.034 0.000 2.419 32 V HA 0.786 4.914 4.120 0.014 0.000 0.287 32 V C 0.502 176.631 176.094 0.058 0.000 1.017 32 V CA 0.042 62.368 62.300 0.043 0.000 0.844 32 V CB 0.952 32.803 31.823 0.047 0.000 1.011 32 V HN 0.462 nan 8.190 nan 0.000 0.429 33 G N 2.092 110.922 108.800 0.049 0.000 4.517 33 G HA2 0.327 4.296 3.960 0.014 0.000 0.258 33 G HA3 0.327 4.296 3.960 0.014 0.000 0.258 33 G C 0.741 175.666 174.900 0.040 0.000 1.038 33 G CA 0.590 45.723 45.100 0.055 0.000 0.810 33 G HN 0.870 nan 8.290 nan 0.000 0.383 34 G N 0.639 109.459 108.800 0.033 0.000 2.720 34 G HA2 0.406 4.374 3.960 0.014 0.000 0.204 34 G HA3 0.406 4.374 3.960 0.014 0.000 0.204 34 G C 0.381 175.296 174.900 0.024 0.000 1.113 34 G CA 0.336 45.452 45.100 0.026 0.000 0.805 34 G HN 0.450 nan 8.290 nan 0.000 0.536 35 I N 0.156 120.741 120.570 0.025 0.000 2.447 35 I HA 0.626 4.805 4.170 0.014 0.000 0.287 35 I C -1.402 174.732 176.117 0.028 0.000 1.023 35 I CA -0.984 60.330 61.300 0.023 0.000 1.083 35 I CB 2.248 40.259 38.000 0.019 0.000 1.245 35 I HN -0.233 nan 8.210 nan 0.000 0.434 36 I N 4.212 124.799 120.570 0.029 0.000 2.894 36 I HA 0.709 4.888 4.170 0.014 0.000 0.302 36 I C 0.788 176.921 176.117 0.027 0.000 1.188 36 I CA -0.256 61.063 61.300 0.032 0.000 1.014 36 I CB 2.015 40.042 38.000 0.044 0.000 1.242 36 I HN 0.867 nan 8.210 nan 0.000 0.430 37 G N 4.224 113.040 108.800 0.027 0.000 2.284 37 G HA2 -0.148 3.820 3.960 0.014 0.000 0.201 37 G HA3 -0.148 3.820 3.960 0.014 0.000 0.201 37 G C 0.106 175.017 174.900 0.018 0.000 0.998 37 G CA -0.260 44.853 45.100 0.022 0.000 0.651 37 G HN 0.502 nan 8.290 nan 0.000 0.489 38 Q N -0.606 119.205 119.800 0.019 0.000 2.990 38 Q HA 0.762 5.110 4.340 0.014 0.000 0.255 38 Q C 0.618 176.627 176.000 0.016 0.000 1.040 38 Q CA 0.816 56.628 55.803 0.015 0.000 0.897 38 Q CB 1.449 30.194 28.738 0.013 0.000 1.429 38 Q HN 1.816 nan 8.270 nan 0.000 0.497 39 G N -0.652 108.155 108.800 0.012 0.000 2.712 39 G HA2 -0.179 3.789 3.960 0.014 0.000 0.683 39 G HA3 -0.179 3.789 3.960 0.014 0.000 0.683 39 G C -1.077 173.826 174.900 0.006 0.000 1.320 39 G CA -0.704 44.403 45.100 0.011 0.000 0.847 39 G HN 0.479 nan 8.290 nan 0.000 0.553 40 L N 1.078 122.302 121.223 0.002 0.000 2.449 40 L HA 0.111 4.459 4.340 0.014 0.000 0.266 40 L C 0.407 177.273 176.870 -0.007 0.000 1.321 40 L CA -0.214 54.623 54.840 -0.004 0.000 1.194 40 L CB -0.761 41.294 42.059 -0.007 0.000 1.384 40 L HN 0.489 nan 8.230 nan 0.000 0.438 41 D N 2.896 123.294 120.400 -0.004 0.000 5.758 41 D HA -0.151 4.498 4.640 0.014 0.000 0.222 41 D C 0.488 176.783 176.300 -0.008 0.000 1.450 41 D CA 0.339 54.338 54.000 -0.002 0.000 0.892 41 D CB 0.091 40.890 40.800 -0.001 0.000 1.395 41 D HN 0.175 nan 8.370 nan 0.000 0.804 42 L N 4.076 125.297 121.223 -0.003 0.000 3.153 42 L HA -0.147 4.202 4.340 0.014 0.000 0.307 42 L C 0.954 177.806 176.870 -0.031 0.000 0.932 42 L CA 0.408 55.243 54.840 -0.009 0.000 1.069 42 L CB -0.656 41.406 42.059 0.006 0.000 1.621 42 L HN 0.327 nan 8.230 nan 0.000 0.419 43 V N 3.679 123.569 119.914 -0.041 0.000 3.513 43 V HA 0.316 4.445 4.120 0.014 0.000 0.311 43 V C 1.990 178.021 176.094 -0.104 0.000 1.218 43 V CA 0.403 62.664 62.300 -0.066 0.000 1.266 43 V CB -1.302 30.487 31.823 -0.058 0.000 1.074 43 V HN 1.104 nan 8.190 nan 0.000 0.421 44 G N 1.774 110.513 108.800 -0.101 0.000 4.293 44 G HA2 -0.506 3.463 3.960 0.014 0.000 0.222 44 G HA3 -0.506 3.463 3.960 0.014 0.000 0.222 44 G C 1.548 176.383 174.900 -0.110 0.000 1.452 44 G CA 2.058 47.078 45.100 -0.134 0.000 1.312 44 G HN 1.372 nan 8.290 nan 0.000 0.709 45 S N 0.390 116.010 115.700 -0.133 0.000 2.378 45 S HA -0.079 4.400 4.470 0.014 0.000 0.229 45 S C 1.364 175.934 174.600 -0.050 0.000 1.052 45 S CA 2.362 60.497 58.200 -0.108 0.000 1.084 45 S CB -1.196 61.943 63.200 -0.102 0.000 0.950 45 S HN 1.287 nan 8.310 nan 0.000 0.440 46 T N 3.508 118.040 114.554 -0.038 0.000 2.916 46 T HA 0.425 4.783 4.350 0.014 0.000 0.303 46 T C -0.016 174.684 174.700 0.001 0.000 1.025 46 T CA 0.309 62.400 62.100 -0.015 0.000 1.142 46 T CB 0.280 69.139 68.868 -0.014 0.000 0.947 46 T HN 0.872 nan 8.240 nan 0.000 0.544 47 L N 2.763 123.993 121.223 0.012 0.000 2.706 47 L HA -0.125 4.223 4.340 0.014 0.000 0.666 47 L C -0.865 176.029 176.870 0.040 0.000 1.021 47 L CA -0.287 54.569 54.840 0.026 0.000 1.360 47 L CB -0.169 41.908 42.059 0.029 0.000 1.957 47 L HN 0.658 nan 8.230 nan 0.000 0.920 48 D N 3.448 123.874 120.400 0.043 0.000 2.498 48 D HA 0.181 4.830 4.640 0.014 0.000 0.229 48 D C 1.558 177.911 176.300 0.088 0.000 1.188 48 D CA 0.675 54.714 54.000 0.064 0.000 1.028 48 D CB 0.673 41.505 40.800 0.053 0.000 1.087 48 D HN 0.658 nan 8.370 nan 0.000 0.510 49 T N -1.240 113.386 114.554 0.119 0.000 3.014 49 T HA -0.010 4.349 4.350 0.014 0.000 0.263 49 T C 2.102 176.954 174.700 0.253 0.000 1.078 49 T CA -0.015 62.181 62.100 0.160 0.000 1.135 49 T CB 0.088 69.069 68.868 0.189 0.000 0.895 49 T HN 0.266 nan 8.240 nan 0.000 0.480 50 L N 1.260 122.644 121.223 0.268 0.000 2.353 50 L HA -0.077 4.271 4.340 0.014 0.000 0.220 50 L C 2.713 179.838 176.870 0.425 0.000 1.133 50 L CA 1.102 56.186 54.840 0.407 0.000 0.798 50 L CB -1.289 40.874 42.059 0.175 0.000 0.922 50 L HN 0.368 nan 8.230 nan 0.000 0.445 51 T N 0.187 114.887 114.554 0.244 0.000 2.788 51 T HA -0.127 4.232 4.350 0.014 0.000 0.268 51 T C 1.981 176.767 174.700 0.142 0.000 1.044 51 T CA 1.270 63.472 62.100 0.170 0.000 1.139 51 T CB -0.013 68.913 68.868 0.097 0.000 0.867 51 T HN 0.485 nan 8.240 nan 0.000 0.454 52 A N 0.328 123.214 122.820 0.110 0.000 2.070 52 A HA 0.016 4.345 4.320 0.014 0.000 0.220 52 A C 1.701 179.210 177.584 -0.125 0.000 1.159 52 A CA 1.104 53.120 52.037 -0.035 0.000 0.656 52 A CB -0.859 18.068 19.000 -0.122 0.000 0.800 52 A HN 0.542 nan 8.150 nan 0.000 0.453 53 F N -1.732 118.195 119.950 -0.037 0.000 2.710 53 F HA 0.140 4.675 4.527 0.013 0.000 0.298 53 F C 1.230 176.939 175.800 -0.151 0.000 1.137 53 F CA 0.355 58.241 58.000 -0.190 0.000 1.444 53 F CB 0.210 38.891 39.000 -0.532 0.000 1.111 53 F HN 0.115 nan 8.300 nan 0.000 0.580 54 L N -0.541 120.747 121.223 0.108 0.000 2.791 54 L HA 0.386 4.735 4.340 0.014 0.000 0.239 54 L C 1.107 178.003 176.870 0.043 0.000 1.203 54 L CA -0.031 54.863 54.840 0.091 0.000 1.002 54 L CB -0.582 41.556 42.059 0.132 0.000 1.295 54 L HN 0.063 nan 8.230 nan 0.000 0.504 55 G N -0.868 107.940 108.800 0.013 0.000 2.851 55 G HA2 0.197 4.165 3.960 0.014 0.000 0.208 55 G HA3 0.197 4.165 3.960 0.014 0.000 0.208 55 G C 0.280 175.081 174.900 -0.165 0.000 1.894 55 G CA -0.501 44.562 45.100 -0.061 0.000 0.732 55 G HN 0.090 nan 8.290 nan 0.000 0.802 56 R N 1.266 121.610 120.500 -0.261 0.000 3.760 56 R HA 0.420 4.769 4.340 0.014 0.000 0.310 56 R C 0.478 176.773 176.300 -0.008 0.000 1.414 56 R CA -0.126 55.648 56.100 -0.544 0.000 1.410 56 R CB 0.836 30.669 30.300 -0.780 0.000 1.459 56 R HN 0.263 nan 8.270 nan 0.000 0.663 57 S N -0.415 115.442 115.700 0.263 0.000 2.506 57 S HA 0.130 4.608 4.470 0.014 0.000 0.230 57 S C 0.593 175.509 174.600 0.528 0.000 1.066 57 S CA 0.290 58.686 58.200 0.327 0.000 0.940 57 S CB 0.866 64.128 63.200 0.102 0.000 0.818 57 S HN 0.072 nan 8.310 nan 0.000 0.518 58 V N 2.658 122.867 119.914 0.491 0.000 2.569 58 V HA 0.591 4.720 4.120 0.014 0.000 0.301 58 V C -0.706 175.445 176.094 0.095 0.000 1.044 58 V CA -0.798 61.675 62.300 0.289 0.000 0.874 58 V CB 1.689 33.609 31.823 0.163 0.000 1.002 58 V HN 0.377 nan 8.190 nan 0.000 0.424 59 S N 5.498 121.140 115.700 -0.097 0.000 2.503 59 S HA 0.911 5.389 4.470 0.014 0.000 0.301 59 S C -1.156 173.376 174.600 -0.112 0.000 1.087 59 S CA -0.683 57.274 58.200 -0.406 0.000 1.042 59 S CB 1.882 64.607 63.200 -0.791 0.000 1.043 59 S HN 0.414 nan 8.310 nan 0.000 0.489 60 L N 2.053 123.249 121.223 -0.045 0.000 2.362 60 L HA 0.637 4.986 4.340 0.014 0.000 0.271 60 L C -0.289 176.696 176.870 0.192 0.000 1.002 60 L CA -0.170 54.751 54.840 0.135 0.000 0.818 60 L CB 2.075 44.217 42.059 0.139 0.000 1.298 60 L HN 0.907 nan 8.230 nan 0.000 0.420 61 Q N 2.539 122.452 119.800 0.188 0.000 2.275 61 Q HA 0.460 4.809 4.340 0.014 0.000 0.266 61 Q C -1.634 174.382 176.000 0.026 0.000 1.002 61 Q CA -0.802 55.088 55.803 0.146 0.000 0.761 61 Q CB 1.677 30.532 28.738 0.196 0.000 1.255 61 Q HN 0.423 nan 8.270 nan 0.000 0.446 62 L N 4.240 125.399 121.223 -0.107 0.000 2.417 62 L HA 0.440 4.789 4.340 0.014 0.000 0.268 62 L C -0.464 176.376 176.870 -0.050 0.000 1.158 62 L CA 0.365 55.049 54.840 -0.260 0.000 0.819 62 L CB 1.090 42.773 42.059 -0.628 0.000 1.112 62 L HN 0.628 nan 8.230 nan 0.000 0.458 63 I N 1.516 122.008 120.570 -0.131 0.000 2.478 63 I HA 0.213 4.391 4.170 0.014 0.000 0.287 63 I C -0.042 176.094 176.117 0.032 0.000 1.042 63 I CA -0.432 60.791 61.300 -0.127 0.000 1.067 63 I CB 1.902 39.572 38.000 -0.550 0.000 1.233 63 I HN 0.485 nan 8.210 nan 0.000 0.431 64 S N 3.609 119.439 115.700 0.217 0.000 2.564 64 S HA 0.410 4.889 4.470 0.014 0.000 0.278 64 S C 1.027 175.721 174.600 0.156 0.000 1.333 64 S CA 0.096 58.462 58.200 0.278 0.000 1.048 64 S CB 1.242 64.604 63.200 0.270 0.000 0.900 64 S HN 0.741 nan 8.310 nan 0.000 0.505 65 A N 3.112 126.026 122.820 0.155 0.000 2.147 65 A HA 0.151 4.480 4.320 0.014 0.000 0.211 65 A C 1.837 179.481 177.584 0.101 0.000 1.160 65 A CA 0.965 53.076 52.037 0.122 0.000 0.781 65 A CB -0.344 18.732 19.000 0.127 0.000 0.842 65 A HN 0.921 nan 8.150 nan 0.000 0.475 66 T N -4.462 110.161 114.554 0.116 0.000 2.959 66 T HA 0.331 4.690 4.350 0.014 0.000 0.254 66 T C 0.320 175.062 174.700 0.069 0.000 1.003 66 T CA 0.028 62.180 62.100 0.086 0.000 0.950 66 T CB 0.175 69.102 68.868 0.097 0.000 1.090 66 T HN 0.031 nan 8.240 nan 0.000 0.503 67 K N 1.604 122.050 120.400 0.077 0.000 2.292 67 K HA 0.838 5.166 4.320 0.014 0.000 0.257 67 K C -0.970 175.661 176.600 0.052 0.000 0.940 67 K CA -0.433 55.882 56.287 0.045 0.000 0.811 67 K CB 1.886 34.393 32.500 0.013 0.000 1.120 67 K HN 0.374 nan 8.250 nan 0.000 0.428 68 A N 2.452 125.295 122.820 0.039 0.000 2.356 68 A HA 0.587 4.915 4.320 0.014 0.000 0.323 68 A C -0.636 176.966 177.584 0.030 0.000 1.119 68 A CA -0.707 51.358 52.037 0.046 0.000 0.790 68 A CB 0.598 19.621 19.000 0.038 0.000 1.273 68 A HN 0.820 nan 8.150 nan 0.000 0.452 69 D N 0.697 121.119 120.400 0.037 0.000 2.425 69 D HA 0.442 5.091 4.640 0.014 0.000 0.274 69 D C 1.316 177.624 176.300 0.014 0.000 1.242 69 D CA 0.201 54.216 54.000 0.025 0.000 1.060 69 D CB 0.066 40.888 40.800 0.036 0.000 1.112 69 D HN 0.457 nan 8.370 nan 0.000 0.561 70 A N -0.407 122.419 122.820 0.010 0.000 1.883 70 A HA -0.226 4.103 4.320 0.014 0.000 0.217 70 A C 1.854 179.438 177.584 0.001 0.000 1.186 70 A CA 1.914 53.954 52.037 0.005 0.000 0.624 70 A CB -1.036 17.966 19.000 0.004 0.000 0.822 70 A HN 0.586 nan 8.150 nan 0.000 0.444 71 N N -1.538 117.160 118.700 -0.002 0.000 2.313 71 N HA 0.302 5.051 4.740 0.014 0.000 0.207 71 N C 0.773 176.272 175.510 -0.018 0.000 1.141 71 N CA 1.079 54.122 53.050 -0.012 0.000 0.830 71 N CB 0.382 38.858 38.487 -0.018 0.000 1.008 71 N HN 0.598 nan 8.380 nan 0.000 0.481 72 G N -0.183 108.613 108.800 -0.007 0.000 2.176 72 G HA2 -0.260 3.709 3.960 0.014 0.000 0.232 72 G HA3 -0.260 3.709 3.960 0.014 0.000 0.232 72 G C -0.157 174.743 174.900 -0.000 0.000 0.986 72 G CA -0.164 44.934 45.100 -0.005 0.000 0.643 72 G HN 0.352 nan 8.290 nan 0.000 0.522 73 K N 0.690 121.086 120.400 -0.006 0.000 2.118 73 K HA 0.551 4.880 4.320 0.014 0.000 0.267 73 K C 0.990 177.687 176.600 0.162 0.000 0.991 73 K CA -0.270 56.020 56.287 0.004 0.000 0.916 73 K CB 1.342 33.753 32.500 -0.147 0.000 1.041 73 K HN 0.313 nan 8.250 nan 0.000 0.455 74 G N 1.958 110.970 108.800 0.353 0.000 2.265 74 G HA2 -0.098 3.870 3.960 0.014 0.000 0.240 74 G HA3 -0.098 3.870 3.960 0.014 0.000 0.240 74 G C -0.246 174.790 174.900 0.227 0.000 1.270 74 G CA -0.149 45.118 45.100 0.278 0.000 0.901 74 G HN 0.555 nan 8.290 nan 0.000 0.507 75 K N 1.911 122.388 120.400 0.128 0.000 2.484 75 K HA 0.106 4.434 4.320 0.014 0.000 0.280 75 K C 0.422 177.081 176.600 0.099 0.000 1.013 75 K CA -0.055 56.280 56.287 0.080 0.000 1.029 75 K CB 0.168 32.662 32.500 -0.011 0.000 0.902 75 K HN 0.351 nan 8.250 nan 0.000 0.481 76 L N 3.932 125.220 121.223 0.108 0.000 2.326 76 L HA 0.303 4.652 4.340 0.014 0.000 0.278 76 L C 1.123 178.067 176.870 0.123 0.000 1.092 76 L CA -0.470 54.448 54.840 0.130 0.000 0.810 76 L CB 1.284 43.441 42.059 0.162 0.000 1.153 76 L HN 0.854 nan 8.230 nan 0.000 0.439 77 G N 2.466 111.392 108.800 0.211 0.000 2.510 77 G HA2 0.319 4.288 3.960 0.014 0.000 0.280 77 G HA3 0.319 4.288 3.960 0.014 0.000 0.280 77 G C -0.568 174.444 174.900 0.187 0.000 1.386 77 G CA -0.729 44.513 45.100 0.237 0.000 1.047 77 G HN 0.550 nan 8.290 nan 0.000 0.527 78 K N 0.094 120.614 120.400 0.199 0.000 2.174 78 K HA 0.494 4.823 4.320 0.014 0.000 0.275 78 K C 0.028 176.734 176.600 0.176 0.000 1.015 78 K CA -0.336 56.050 56.287 0.164 0.000 0.933 78 K CB 1.599 34.186 32.500 0.146 0.000 1.025 78 K HN 0.459 nan 8.250 nan 0.000 0.463 79 A N 2.654 125.554 122.820 0.134 0.000 2.522 79 A HA 0.137 4.465 4.320 0.014 0.000 0.256 79 A C -0.215 177.383 177.584 0.022 0.000 1.086 79 A CA 0.194 52.273 52.037 0.070 0.000 0.763 79 A CB -0.221 18.805 19.000 0.043 0.000 1.024 79 A HN 0.622 nan 8.150 nan 0.000 0.502 80 T N 3.200 117.735 114.554 -0.031 0.000 2.807 80 T HA 0.560 4.919 4.350 0.014 0.000 0.279 80 T C -0.534 174.039 174.700 -0.211 0.000 0.993 80 T CA -0.061 62.012 62.100 -0.046 0.000 0.970 80 T CB 0.569 69.400 68.868 -0.062 0.000 0.950 80 T HN 0.355 nan 8.240 nan 0.000 0.441 81 F N 1.655 121.598 119.950 -0.012 0.000 2.377 81 F HA 0.465 5.000 4.527 0.014 0.000 0.328 81 F C 0.430 176.183 175.800 -0.078 0.000 1.094 81 F CA -1.268 56.727 58.000 -0.007 0.000 1.093 81 F CB 0.546 39.554 39.000 0.013 0.000 1.214 81 F HN 0.234 nan 8.300 nan 0.000 0.518 82 L N 2.209 123.483 121.223 0.085 0.000 2.525 82 L HA -0.032 4.316 4.340 0.014 0.000 0.278 82 L C 1.162 178.057 176.870 0.043 0.000 1.218 82 L CA 0.617 55.449 54.840 -0.013 0.000 0.878 82 L CB 0.021 42.007 42.059 -0.122 0.000 1.127 82 L HN 0.833 nan 8.230 nan 0.000 0.492 83 E N 1.704 121.920 120.200 0.026 0.000 2.536 83 E HA 0.293 4.652 4.350 0.014 0.000 0.220 83 E C 0.369 176.998 176.600 0.050 0.000 0.876 83 E CA 0.340 56.758 56.400 0.031 0.000 1.190 83 E CB 0.878 30.572 29.700 -0.011 0.000 1.191 83 E HN 0.597 nan 8.360 nan 0.000 0.557 84 G N 1.089 109.938 108.800 0.083 0.000 2.720 84 G HA2 0.514 4.483 3.960 0.014 0.000 0.295 84 G HA3 0.514 4.483 3.960 0.014 0.000 0.295 84 G C -1.334 173.620 174.900 0.090 0.000 1.437 84 G CA -0.896 44.246 45.100 0.070 0.000 0.886 84 G HN 0.082 nan 8.290 nan 0.000 0.509 85 I N 1.498 122.071 120.570 0.006 0.000 2.365 85 I HA 0.316 4.494 4.170 0.014 0.000 0.291 85 I C 0.121 176.123 176.117 -0.192 0.000 1.004 85 I CA -0.553 60.635 61.300 -0.188 0.000 1.311 85 I CB 1.454 39.342 38.000 -0.187 0.000 1.401 85 I HN 0.163 nan 8.210 nan 0.000 0.491 86 I N 5.979 126.385 120.570 -0.274 0.000 2.304 86 I HA 0.103 4.281 4.170 0.014 0.000 0.291 86 I C 1.288 177.287 176.117 -0.197 0.000 1.018 86 I CA -0.145 61.042 61.300 -0.188 0.000 1.260 86 I CB 1.435 39.334 38.000 -0.167 0.000 1.390 86 I HN 0.721 nan 8.210 nan 0.000 0.475 87 T N 2.098 116.571 114.554 -0.136 0.000 2.833 87 T HA -0.094 4.265 4.350 0.014 0.000 0.269 87 T C 0.879 175.519 174.700 -0.101 0.000 1.054 87 T CA 0.806 62.838 62.100 -0.114 0.000 1.135 87 T CB 0.018 68.840 68.868 -0.076 0.000 0.869 87 T HN 0.525 nan 8.240 nan 0.000 0.466 88 S N -0.619 115.027 115.700 -0.089 0.000 2.542 88 S HA 0.671 5.149 4.470 0.014 0.000 0.276 88 S C -1.869 172.696 174.600 -0.059 0.000 1.148 88 S CA -0.913 57.248 58.200 -0.066 0.000 0.886 88 S CB 1.016 64.187 63.200 -0.049 0.000 1.109 88 S HN 0.335 nan 8.310 nan 0.000 0.458 89 L N 3.714 124.909 121.223 -0.047 0.000 2.424 89 L HA 0.466 4.815 4.340 0.014 0.000 0.258 89 L C -1.785 175.072 176.870 -0.020 0.000 0.995 89 L CA -2.104 52.716 54.840 -0.034 0.000 0.821 89 L CB 2.318 44.356 42.059 -0.035 0.000 1.383 89 L HN 0.438 nan 8.230 nan 0.000 0.410 90 P HA -0.139 nan 4.420 nan 0.000 0.218 90 P C 0.970 178.271 177.300 0.001 0.000 1.146 90 P CA 1.138 64.236 63.100 -0.004 0.000 0.813 90 P CB 0.279 31.980 31.700 0.002 0.000 0.778 91 T N -2.210 112.346 114.554 0.003 0.000 3.084 91 T HA 0.189 4.547 4.350 0.014 0.000 0.270 91 T C 0.172 174.876 174.700 0.008 0.000 1.008 91 T CA -0.471 61.636 62.100 0.012 0.000 0.900 91 T CB -0.485 68.397 68.868 0.024 0.000 1.084 91 T HN -0.208 nan 8.240 nan 0.000 0.538 92 L N 2.544 123.763 121.223 -0.006 0.000 2.410 92 L HA 0.615 4.964 4.340 0.014 0.000 0.273 92 L C 0.786 177.653 176.870 -0.006 0.000 1.144 92 L CA 0.171 55.002 54.840 -0.015 0.000 0.863 92 L CB 0.407 42.443 42.059 -0.038 0.000 1.140 92 L HN 0.197 nan 8.230 nan 0.000 0.463 93 G N 3.368 112.170 108.800 0.002 0.000 2.531 93 G HA2 0.625 4.594 3.960 0.014 0.000 0.313 93 G HA3 0.625 4.594 3.960 0.014 0.000 0.313 93 G C -0.865 174.039 174.900 0.007 0.000 1.238 93 G CA -0.412 44.695 45.100 0.011 0.000 0.994 93 G HN 0.985 nan 8.290 nan 0.000 0.493 94 A N -1.274 121.555 122.820 0.015 0.000 2.520 94 A HA 0.512 4.840 4.320 0.014 0.000 0.245 94 A C 1.567 179.164 177.584 0.022 0.000 1.072 94 A CA 1.244 53.291 52.037 0.017 0.000 0.761 94 A CB -0.407 18.606 19.000 0.023 0.000 1.004 94 A HN 2.546 nan 8.150 nan 0.000 0.499 95 G N 1.363 110.175 108.800 0.020 0.000 2.225 95 G HA2 -0.231 3.738 3.960 0.014 0.000 0.254 95 G HA3 -0.231 3.738 3.960 0.014 0.000 0.254 95 G C 0.224 175.135 174.900 0.019 0.000 0.988 95 G CA 0.618 45.735 45.100 0.029 0.000 0.625 95 G HN 0.943 nan 8.290 nan 0.000 0.527 96 Q N 0.415 120.215 119.800 0.000 0.000 2.230 96 Q HA 0.669 5.017 4.340 0.014 0.000 0.248 96 Q C -0.534 175.422 176.000 -0.074 0.000 0.915 96 Q CA -0.124 55.669 55.803 -0.017 0.000 0.900 96 Q CB 1.689 30.423 28.738 -0.007 0.000 1.229 96 Q HN 0.232 nan 8.270 nan 0.000 0.439 97 S N 0.573 116.205 115.700 -0.113 0.000 2.526 97 S HA 0.758 5.236 4.470 0.014 0.000 0.293 97 S C -1.203 173.203 174.600 -0.323 0.000 1.092 97 S CA -0.778 57.272 58.200 -0.250 0.000 0.980 97 S CB 1.793 64.832 63.200 -0.268 0.000 1.048 97 S HN 0.677 nan 8.310 nan 0.000 0.483 98 A N 2.182 124.697 122.820 -0.508 0.000 2.355 98 A HA 0.925 5.253 4.320 0.014 0.000 0.324 98 A C -1.409 175.744 177.584 -0.719 0.000 1.117 98 A CA -0.549 51.246 52.037 -0.402 0.000 0.785 98 A CB 0.574 19.437 19.000 -0.229 0.000 1.254 98 A HN 0.641 nan 8.150 nan 0.000 0.453 99 F N 0.770 120.625 119.950 -0.158 0.000 2.569 99 F HA 0.452 4.987 4.527 0.014 0.000 0.312 99 F C 0.316 176.036 175.800 -0.132 0.000 1.109 99 F CA -0.598 57.314 58.000 -0.147 0.000 0.919 99 F CB 2.467 41.362 39.000 -0.175 0.000 1.211 99 F HN 0.615 nan 8.300 nan 0.000 0.446 100 K N 3.059 123.485 120.400 0.044 0.000 2.110 100 K HA 0.841 5.170 4.320 0.014 0.000 0.263 100 K C -1.196 175.361 176.600 -0.071 0.000 0.975 100 K CA -0.747 55.521 56.287 -0.032 0.000 0.895 100 K CB 2.763 35.233 32.500 -0.050 0.000 1.060 100 K HN 0.763 nan 8.250 nan 0.000 0.448 101 I N 1.253 121.719 120.570 -0.174 0.000 2.644 101 I HA 0.272 4.451 4.170 0.014 0.000 0.291 101 I C -1.869 173.968 176.117 -0.467 0.000 1.180 101 I CA -0.820 60.274 61.300 -0.342 0.000 1.040 101 I CB 2.144 39.867 38.000 -0.462 0.000 1.255 101 I HN 0.659 nan 8.210 nan 0.000 0.422 102 N N 6.962 125.403 118.700 -0.432 0.000 2.392 102 N HA 0.464 5.212 4.740 0.014 0.000 0.283 102 N C -1.578 173.708 175.510 -0.374 0.000 1.003 102 N CA -0.152 52.701 53.050 -0.328 0.000 0.892 102 N CB 1.610 40.002 38.487 -0.158 0.000 1.193 102 N HN 0.326 nan 8.380 nan 0.000 0.487 103 F N 0.728 120.651 119.950 -0.045 0.000 2.415 103 F HA 0.261 4.797 4.527 0.014 0.000 0.348 103 F C 1.122 176.965 175.800 0.072 0.000 1.119 103 F CA -0.758 57.242 58.000 -0.000 0.000 1.069 103 F CB 1.150 40.117 39.000 -0.055 0.000 1.124 103 F HN 0.154 nan 8.300 nan 0.000 0.472 104 E N 3.845 124.212 120.200 0.278 0.000 2.290 104 E HA 0.046 4.404 4.350 0.014 0.000 0.277 104 E C -0.779 176.057 176.600 0.393 0.000 1.035 104 E CA -0.002 56.545 56.400 0.246 0.000 0.873 104 E CB 1.368 31.160 29.700 0.154 0.000 1.029 104 E HN 0.600 nan 8.360 nan 0.000 0.419 105 W N 2.675 124.029 121.300 0.090 0.000 3.042 105 W HA 0.160 4.829 4.660 0.015 0.000 0.342 105 W C -1.619 174.952 176.519 0.088 0.000 1.240 105 W CA -0.559 56.834 57.345 0.080 0.000 1.166 105 W CB 2.262 31.767 29.460 0.076 0.000 1.469 105 W HN 0.579 nan 8.180 nan 0.000 0.579 106 D N 0.461 120.772 120.400 -0.149 0.000 2.579 106 D HA 0.176 4.825 4.640 0.014 0.000 0.257 106 D C -1.248 175.012 176.300 -0.066 0.000 1.176 106 D CA -0.524 53.461 54.000 -0.025 0.000 0.914 106 D CB 0.794 41.565 40.800 -0.048 0.000 1.431 106 D HN 0.034 nan 8.370 nan 0.000 0.454 107 D N -0.524 119.900 120.400 0.039 0.000 2.382 107 D HA 0.437 5.086 4.640 0.014 0.000 0.259 107 D C 1.190 177.476 176.300 -0.024 0.000 1.224 107 D CA 1.092 55.114 54.000 0.036 0.000 0.894 107 D CB 0.962 41.807 40.800 0.075 0.000 1.127 107 D HN 0.741 nan 8.370 nan 0.000 0.487 108 G N 1.311 110.079 108.800 -0.053 0.000 2.813 108 G HA2 -0.205 3.763 3.960 0.014 0.000 0.194 108 G HA3 -0.205 3.763 3.960 0.014 0.000 0.194 108 G C 1.068 175.881 174.900 -0.145 0.000 1.010 108 G CA -0.141 44.912 45.100 -0.078 0.000 0.771 108 G HN 0.424 nan 8.290 nan 0.000 0.485 109 S N 0.284 115.825 115.700 -0.265 0.000 2.540 109 S HA 0.503 4.981 4.470 0.014 0.000 0.222 109 S C 1.488 176.013 174.600 -0.126 0.000 1.008 109 S CA 1.367 59.304 58.200 -0.438 0.000 0.939 109 S CB 0.513 63.016 63.200 -1.161 0.000 0.865 109 S HN 2.093 nan 8.310 nan 0.000 0.499 110 G N 1.962 110.805 108.800 0.072 0.000 2.569 110 G HA2 -0.267 3.701 3.960 0.014 0.000 0.259 110 G HA3 -0.267 3.701 3.960 0.014 0.000 0.259 110 G C -0.392 174.801 174.900 0.488 0.000 1.263 110 G CA -0.179 45.067 45.100 0.243 0.000 0.928 110 G HN 0.392 nan 8.290 nan 0.000 0.572 111 I N 2.776 123.533 120.570 0.311 0.000 2.331 111 I HA 0.365 4.544 4.170 0.014 0.000 0.292 111 I C -2.023 174.175 176.117 0.135 0.000 0.998 111 I CA -2.021 59.379 61.300 0.167 0.000 1.267 111 I CB 2.038 40.119 38.000 0.135 0.000 1.386 111 I HN 0.195 nan 8.210 nan 0.000 0.476 112 P HA 0.141 nan 4.420 nan 0.000 0.271 112 P C 0.493 177.811 177.300 0.031 0.000 1.216 112 P CA -0.033 62.985 63.100 -0.136 0.000 0.776 112 P CB 0.913 32.324 31.700 -0.483 0.000 0.881 113 G N 0.509 109.371 108.800 0.103 0.000 3.215 113 G HA2 0.538 4.506 3.960 0.014 0.000 0.236 113 G HA3 0.538 4.506 3.960 0.014 0.000 0.236 113 G C -0.082 174.971 174.900 0.256 0.000 1.029 113 G CA 0.447 45.650 45.100 0.171 0.000 0.909 113 G HN 0.775 nan 8.290 nan 0.000 0.543 114 A N -0.269 122.641 122.820 0.149 0.000 2.599 114 A HA 0.833 5.162 4.320 0.014 0.000 0.290 114 A C -1.702 175.778 177.584 -0.175 0.000 1.101 114 A CA -0.778 51.220 52.037 -0.065 0.000 0.674 114 A CB 1.011 19.642 19.000 -0.615 0.000 1.277 114 A HN 1.078 nan 8.150 nan 0.000 0.419 115 F N -1.795 117.864 119.950 -0.485 0.000 2.645 115 F HA 0.855 5.390 4.527 0.014 0.000 0.310 115 F C -1.756 173.809 175.800 -0.392 0.000 1.102 115 F CA -1.315 56.392 58.000 -0.488 0.000 0.952 115 F CB 0.753 39.435 39.000 -0.530 0.000 1.326 115 F HN 0.495 nan 8.300 nan 0.000 0.456 116 Y N 2.508 122.735 120.300 -0.122 0.000 2.376 116 Y HA 0.704 5.262 4.550 0.014 0.000 0.325 116 Y C -0.202 175.731 175.900 0.055 0.000 1.199 116 Y CA -1.663 56.348 58.100 -0.150 0.000 1.206 116 Y CB 1.737 40.137 38.460 -0.099 0.000 1.229 116 Y HN 0.805 nan 8.280 nan 0.000 0.480 117 I N 2.442 123.124 120.570 0.187 0.000 2.619 117 I HA 0.435 4.614 4.170 0.014 0.000 0.292 117 I C -1.583 174.533 176.117 -0.001 0.000 1.100 117 I CA -0.818 60.590 61.300 0.180 0.000 1.043 117 I CB 1.486 39.688 38.000 0.336 0.000 1.239 117 I HN 0.553 nan 8.210 nan 0.000 0.420 118 K N 4.974 125.319 120.400 -0.091 0.000 2.376 118 K HA 0.346 4.675 4.320 0.014 0.000 0.257 118 K C -1.001 175.386 176.600 -0.354 0.000 0.939 118 K CA -0.803 55.291 56.287 -0.322 0.000 0.809 118 K CB 1.540 33.706 32.500 -0.558 0.000 1.121 118 K HN 0.384 nan 8.250 nan 0.000 0.425 119 N N 2.696 121.221 118.700 -0.291 0.000 2.439 119 N HA 0.190 4.938 4.740 0.014 0.000 0.249 119 N C -0.605 174.769 175.510 -0.226 0.000 1.003 119 N CA -0.409 52.575 53.050 -0.112 0.000 0.942 119 N CB 0.366 38.813 38.487 -0.066 0.000 1.115 119 N HN 0.427 nan 8.380 nan 0.000 0.505 120 F N 1.514 121.549 119.950 0.141 0.000 2.749 120 F HA 0.319 4.854 4.527 0.014 0.000 0.300 120 F C 0.995 176.828 175.800 0.055 0.000 1.103 120 F CA -0.100 57.959 58.000 0.098 0.000 1.342 120 F CB -0.084 38.990 39.000 0.124 0.000 1.098 120 F HN 0.302 nan 8.300 nan 0.000 0.586 121 M N 0.002 119.705 119.600 0.171 0.000 2.226 121 M HA 0.047 4.535 4.480 0.014 0.000 0.324 121 M C 1.533 177.868 176.300 0.058 0.000 1.112 121 M CA 0.009 55.352 55.300 0.071 0.000 1.176 121 M CB 0.549 33.142 32.600 -0.011 0.000 1.430 121 M HN -0.098 nan 8.290 nan 0.000 0.462 122 Q N 0.593 120.412 119.800 0.031 0.000 2.245 122 Q HA 0.055 4.403 4.340 0.014 0.000 0.201 122 Q C -0.211 175.804 176.000 0.025 0.000 0.955 122 Q CA 1.078 56.896 55.803 0.026 0.000 0.870 122 Q CB 0.360 29.109 28.738 0.019 0.000 0.945 122 Q HN 0.707 nan 8.270 nan 0.000 0.461 123 T N 2.205 116.775 114.554 0.027 0.000 2.799 123 T HA 0.152 4.510 4.350 0.014 0.000 0.286 123 T C -0.509 174.218 174.700 0.045 0.000 0.973 123 T CA -0.752 61.371 62.100 0.038 0.000 1.035 123 T CB 0.928 69.834 68.868 0.062 0.000 0.932 123 T HN 0.234 nan 8.240 nan 0.000 0.469 124 E N 3.648 123.796 120.200 -0.086 0.000 2.418 124 E HA 0.196 4.554 4.350 0.014 0.000 0.261 124 E C -0.679 176.052 176.600 0.219 0.000 1.070 124 E CA -0.256 56.028 56.400 -0.192 0.000 0.931 124 E CB 0.410 29.618 29.700 -0.821 0.000 0.954 124 E HN 0.532 nan 8.360 nan 0.000 0.439 125 F N -0.545 119.563 119.950 0.265 0.000 2.620 125 F HA 0.648 5.183 4.527 0.013 0.000 0.320 125 F C -1.368 174.507 175.800 0.124 0.000 1.069 125 F CA -2.027 56.153 58.000 0.300 0.000 0.953 125 F CB 0.972 40.161 39.000 0.315 0.000 1.322 125 F HN 0.292 nan 8.300 nan 0.000 0.479 126 F N 3.500 123.351 119.950 -0.165 0.000 2.361 126 F HA 0.589 5.125 4.527 0.017 0.000 0.364 126 F C -0.879 174.824 175.800 -0.162 0.000 1.120 126 F CA -1.143 56.460 58.000 -0.662 0.000 1.102 126 F CB 1.019 39.221 39.000 -1.331 0.000 1.183 126 F HN 0.621 nan 8.300 nan 0.000 0.476 127 L N 7.503 128.442 121.223 -0.474 0.000 2.319 127 L HA 0.308 4.657 4.340 0.014 0.000 0.280 127 L C -0.127 176.376 176.870 -0.611 0.000 1.099 127 L CA 0.268 54.917 54.840 -0.317 0.000 0.828 127 L CB 1.139 43.042 42.059 -0.260 0.000 1.150 127 L HN 0.657 nan 8.230 nan 0.000 0.442 128 V N 2.665 122.390 119.914 -0.314 0.000 2.484 128 V HA 0.271 4.400 4.120 0.014 0.000 0.236 128 V C 0.714 176.728 176.094 -0.133 0.000 1.062 128 V CA 1.122 63.293 62.300 -0.215 0.000 1.081 128 V CB 0.107 31.915 31.823 -0.026 0.000 0.751 128 V HN 0.917 nan 8.190 nan 0.000 0.484 129 S N -0.508 115.148 115.700 -0.072 0.000 2.607 129 S HA 0.742 5.221 4.470 0.014 0.000 0.273 129 S C -1.448 173.140 174.600 -0.021 0.000 1.148 129 S CA -0.603 57.597 58.200 0.001 0.000 0.833 129 S CB 2.425 65.662 63.200 0.062 0.000 1.130 129 S HN 0.218 nan 8.310 nan 0.000 0.470 130 L N 0.906 122.150 121.223 0.035 0.000 2.386 130 L HA 0.811 5.160 4.340 0.014 0.000 0.271 130 L C -0.928 175.992 176.870 0.083 0.000 0.993 130 L CA 0.164 54.948 54.840 -0.093 0.000 0.819 130 L CB 2.148 43.867 42.059 -0.567 0.000 1.294 130 L HN 0.925 nan 8.230 nan 0.000 0.414 131 T N 5.959 120.499 114.554 -0.024 0.000 2.809 131 T HA 0.581 4.940 4.350 0.014 0.000 0.284 131 T C -0.572 174.076 174.700 -0.087 0.000 0.992 131 T CA -0.290 61.757 62.100 -0.090 0.000 0.957 131 T CB 0.741 69.520 68.868 -0.148 0.000 0.942 131 T HN 0.437 nan 8.240 nan 0.000 0.439 132 L N 3.329 124.506 121.223 -0.078 0.000 2.282 132 L HA 0.510 4.858 4.340 0.014 0.000 0.288 132 L C 0.387 177.193 176.870 -0.107 0.000 1.033 132 L CA -0.713 54.079 54.840 -0.081 0.000 0.807 132 L CB 1.435 43.435 42.059 -0.098 0.000 1.209 132 L HN 0.555 nan 8.230 nan 0.000 0.423 133 E N 2.001 122.163 120.200 -0.063 0.000 2.055 133 E HA 0.179 4.538 4.350 0.014 0.000 0.274 133 E C -0.842 175.752 176.600 -0.010 0.000 0.949 133 E CA -0.285 56.093 56.400 -0.038 0.000 0.775 133 E CB 1.498 31.190 29.700 -0.014 0.000 1.097 133 E HN 0.489 nan 8.360 nan 0.000 0.404 134 D N 1.790 122.172 120.400 -0.029 0.000 2.376 134 D HA 0.247 4.895 4.640 0.014 0.000 0.281 134 D C 0.603 176.909 176.300 0.011 0.000 1.215 134 D CA -0.250 53.723 54.000 -0.046 0.000 1.062 134 D CB 0.708 41.413 40.800 -0.159 0.000 1.124 134 D HN 0.360 nan 8.370 nan 0.000 0.550 135 I N -1.467 119.086 120.570 -0.028 0.000 4.193 135 I HA 0.225 4.403 4.170 0.014 0.000 0.287 135 I C -1.792 174.268 176.117 -0.097 0.000 1.175 135 I CA -0.294 60.936 61.300 -0.118 0.000 1.320 135 I CB -0.336 37.587 38.000 -0.129 0.000 1.523 135 I HN 0.273 nan 8.210 nan 0.000 0.450 136 P HA 0.211 nan 4.420 nan 0.000 0.328 136 P C -0.536 176.791 177.300 0.044 0.000 1.305 136 P CA -0.298 62.809 63.100 0.012 0.000 0.745 136 P CB -0.000 31.739 31.700 0.066 0.000 1.462 137 N N 0.828 119.547 118.700 0.032 0.000 2.744 137 N HA -0.009 4.739 4.740 0.014 0.000 0.290 137 N C -0.969 174.569 175.510 0.047 0.000 1.206 137 N CA 0.470 53.533 53.050 0.021 0.000 1.119 137 N CB -1.324 37.156 38.487 -0.012 0.000 1.449 137 N HN 0.318 nan 8.380 nan 0.000 0.514 138 H N 0.222 119.282 119.070 -0.017 0.000 3.042 138 H HA 0.373 4.937 4.556 0.014 0.000 0.345 138 H C 0.183 175.504 175.328 -0.012 0.000 1.052 138 H CA -0.511 55.531 56.048 -0.011 0.000 1.311 138 H CB 1.041 30.800 29.762 -0.006 0.000 1.810 138 H HN 0.427 nan 8.280 nan 0.000 0.505 139 G N 2.001 110.956 108.800 0.257 0.000 2.631 139 G HA2 0.161 4.129 3.960 0.014 0.000 0.271 139 G HA3 0.161 4.129 3.960 0.014 0.000 0.271 139 G C -0.316 174.691 174.900 0.178 0.000 1.302 139 G CA -0.379 44.828 45.100 0.177 0.000 1.002 139 G HN 0.565 nan 8.290 nan 0.000 0.519 140 S N -0.939 114.814 115.700 0.088 0.000 2.568 140 S HA 0.180 4.659 4.470 0.014 0.000 0.282 140 S C 0.272 174.851 174.600 -0.035 0.000 1.338 140 S CA 0.077 58.263 58.200 -0.023 0.000 1.045 140 S CB 0.514 63.668 63.200 -0.076 0.000 0.873 140 S HN 0.350 nan 8.310 nan 0.000 0.516 141 I N 3.421 123.895 120.570 -0.160 0.000 2.339 141 I HA 0.273 4.451 4.170 0.014 0.000 0.290 141 I C 0.135 176.077 176.117 -0.293 0.000 0.994 141 I CA -0.439 60.754 61.300 -0.178 0.000 1.191 141 I CB 0.740 38.621 38.000 -0.199 0.000 1.343 141 I HN 0.533 nan 8.210 nan 0.000 0.458 142 H N 6.429 125.381 119.070 -0.197 0.000 2.458 142 H HA 0.414 4.979 4.556 0.014 0.000 0.330 142 H C -1.225 173.937 175.328 -0.277 0.000 1.111 142 H CA -0.370 55.612 56.048 -0.111 0.000 1.245 142 H CB 1.703 31.427 29.762 -0.064 0.000 1.456 142 H HN 0.339 nan 8.280 nan 0.000 0.488 143 F N 1.586 121.608 119.950 0.120 0.000 2.460 143 F HA 0.211 4.746 4.527 0.014 0.000 0.341 143 F C 0.009 175.875 175.800 0.110 0.000 1.130 143 F CA -0.779 57.309 58.000 0.147 0.000 0.962 143 F CB 1.524 40.672 39.000 0.246 0.000 1.171 143 F HN 0.154 nan 8.300 nan 0.000 0.436 144 V N 3.464 123.517 119.914 0.232 0.000 2.350 144 V HA 0.145 4.274 4.120 0.014 0.000 0.276 144 V C 0.089 176.251 176.094 0.113 0.000 1.028 144 V CA -0.196 62.199 62.300 0.158 0.000 0.860 144 V CB 0.842 32.764 31.823 0.165 0.000 0.990 144 V HN 1.088 nan 8.190 nan 0.000 0.453 145 C N 2.340 121.621 119.300 -0.033 0.000 2.519 145 C HA 0.153 4.622 4.460 0.014 0.000 0.297 145 C C 1.200 176.087 174.990 -0.171 0.000 1.414 145 C CA -0.442 58.435 59.018 -0.235 0.000 1.893 145 C CB -0.560 26.742 27.740 -0.730 0.000 2.134 145 C HN 0.942 nan 8.230 nan 0.000 0.580 146 N N 1.723 120.239 118.700 -0.305 0.000 2.669 146 N HA -0.160 4.588 4.740 0.014 0.000 0.266 146 N C -0.485 174.726 175.510 -0.498 0.000 1.024 146 N CA 1.254 54.050 53.050 -0.424 0.000 0.766 146 N CB -0.777 37.788 38.487 0.129 0.000 0.898 146 N HN 0.631 nan 8.380 nan 0.000 0.548 147 S N -0.558 114.618 115.700 -0.873 0.000 2.536 147 S HA 0.521 5.000 4.470 0.014 0.000 0.271 147 S C -1.076 173.346 174.600 -0.298 0.000 1.134 147 S CA -0.807 57.231 58.200 -0.271 0.000 0.897 147 S CB 0.739 64.037 63.200 0.165 0.000 1.094 147 S HN 0.306 nan 8.310 nan 0.000 0.473 148 W N 4.253 125.637 121.300 0.140 0.000 2.266 148 W HA 0.440 5.108 4.660 0.013 0.000 0.317 148 W C -0.014 176.537 176.519 0.053 0.000 1.310 148 W CA -0.616 56.824 57.345 0.158 0.000 1.207 148 W CB 0.524 30.170 29.460 0.309 0.000 1.199 148 W HN 0.349 nan 8.180 nan 0.000 0.544 149 I N 5.407 125.967 120.570 -0.016 0.000 2.359 149 I HA 0.167 4.345 4.170 0.014 0.000 0.284 149 I C -0.413 175.597 176.117 -0.177 0.000 1.018 149 I CA -1.746 59.453 61.300 -0.169 0.000 1.173 149 I CB -0.676 37.011 38.000 -0.523 0.000 1.326 149 I HN 0.343 nan 8.210 nan 0.000 0.462 150 Y N 3.750 124.114 120.300 0.107 0.000 2.334 150 Y HA 0.173 4.731 4.550 0.014 0.000 0.325 150 Y C 1.451 177.426 175.900 0.124 0.000 1.308 150 Y CA -0.050 58.156 58.100 0.176 0.000 1.389 150 Y CB 0.466 39.114 38.460 0.314 0.000 1.328 150 Y HN 0.500 nan 8.280 nan 0.000 0.532 151 N N 0.934 119.735 118.700 0.168 0.000 2.292 151 N HA -0.111 4.637 4.740 0.014 0.000 0.258 151 N C 0.650 176.202 175.510 0.070 0.000 1.261 151 N CA 0.597 53.677 53.050 0.049 0.000 0.845 151 N CB 0.961 39.446 38.487 -0.003 0.000 1.064 151 N HN 0.893 nan 8.380 nan 0.000 0.471 152 A N 4.643 127.450 122.820 -0.022 0.000 2.019 152 A HA -0.181 4.148 4.320 0.014 0.000 0.219 152 A C 1.834 179.437 177.584 0.031 0.000 1.164 152 A CA 1.520 53.546 52.037 -0.018 0.000 0.644 152 A CB -0.298 18.523 19.000 -0.297 0.000 0.805 152 A HN 0.880 nan 8.150 nan 0.000 0.449 153 K N -0.087 120.303 120.400 -0.017 0.000 2.487 153 K HA 0.212 4.541 4.320 0.014 0.000 0.192 153 K C 0.966 177.454 176.600 -0.187 0.000 1.027 153 K CA 0.343 56.601 56.287 -0.049 0.000 1.054 153 K CB -0.188 32.303 32.500 -0.016 0.000 0.824 153 K HN 0.450 nan 8.250 nan 0.000 0.510 154 L N 0.366 121.379 121.223 -0.351 0.000 2.509 154 L HA 0.229 4.578 4.340 0.014 0.000 0.222 154 L C -0.065 176.322 176.870 -0.805 0.000 1.123 154 L CA 0.093 54.447 54.840 -0.810 0.000 0.856 154 L CB 0.059 41.303 42.059 -1.358 0.000 0.985 154 L HN 0.058 nan 8.230 nan 0.000 0.456 155 F N -0.250 119.620 119.950 -0.133 0.000 2.508 155 F HA 0.227 4.762 4.527 0.014 0.000 0.325 155 F C 1.284 177.059 175.800 -0.043 0.000 1.090 155 F CA -1.010 56.962 58.000 -0.047 0.000 0.945 155 F CB 1.286 40.261 39.000 -0.041 0.000 1.156 155 F HN -0.192 nan 8.300 nan 0.000 0.463 156 K N 0.056 120.547 120.400 0.152 0.000 2.243 156 K HA 0.088 4.417 4.320 0.014 0.000 0.201 156 K C -0.170 176.462 176.600 0.054 0.000 1.051 156 K CA 0.870 57.203 56.287 0.077 0.000 0.970 156 K CB 0.110 32.648 32.500 0.064 0.000 0.755 156 K HN 0.560 nan 8.250 nan 0.000 0.465 157 S N 0.914 116.652 115.700 0.063 0.000 2.570 157 S HA 0.345 4.824 4.470 0.014 0.000 0.286 157 S C -1.216 173.322 174.600 -0.102 0.000 1.099 157 S CA -1.180 56.999 58.200 -0.035 0.000 0.913 157 S CB 1.738 64.933 63.200 -0.010 0.000 1.085 157 S HN 0.068 nan 8.310 nan 0.000 0.480 158 D N 1.684 121.910 120.400 -0.291 0.000 2.399 158 D HA 0.178 4.827 4.640 0.014 0.000 0.241 158 D C 0.212 176.361 176.300 -0.252 0.000 1.133 158 D CA -0.123 53.677 54.000 -0.333 0.000 0.890 158 D CB 0.414 40.885 40.800 -0.549 0.000 1.201 158 D HN 0.267 nan 8.370 nan 0.000 0.432 159 R N 1.470 121.787 120.500 -0.306 0.000 2.502 159 R HA 0.158 4.506 4.340 0.014 0.000 0.292 159 R C 0.058 176.123 176.300 -0.393 0.000 0.998 159 R CA 0.148 56.003 56.100 -0.409 0.000 1.056 159 R CB -0.044 30.017 30.300 -0.398 0.000 0.939 159 R HN 0.542 nan 8.270 nan 0.000 0.411 160 I N 3.397 123.580 120.570 -0.646 0.000 2.569 160 I HA 0.464 4.642 4.170 0.014 0.000 0.296 160 I C -1.284 174.094 176.117 -1.232 0.000 1.028 160 I CA -0.927 59.929 61.300 -0.740 0.000 1.082 160 I CB 1.200 38.909 38.000 -0.486 0.000 1.264 160 I HN 0.308 nan 8.210 nan 0.000 0.429 161 F N 5.912 125.311 119.950 -0.919 0.000 2.578 161 F HA 0.526 5.062 4.527 0.014 0.000 0.311 161 F C -0.708 174.753 175.800 -0.566 0.000 1.094 161 F CA -0.443 57.145 58.000 -0.687 0.000 0.923 161 F CB 1.842 40.316 39.000 -0.876 0.000 1.230 161 F HN 0.174 nan 8.300 nan 0.000 0.450 162 F N 1.048 121.091 119.950 0.155 0.000 2.497 162 F HA 0.779 5.314 4.527 0.014 0.000 0.331 162 F C 0.612 176.552 175.800 0.234 0.000 1.060 162 F CA -0.968 57.139 58.000 0.180 0.000 0.989 162 F CB 1.061 40.098 39.000 0.061 0.000 1.245 162 F HN 0.573 nan 8.300 nan 0.000 0.486 163 A N 0.912 123.849 122.820 0.196 0.000 2.310 163 A HA 0.165 4.494 4.320 0.014 0.000 0.260 163 A C 1.279 178.775 177.584 -0.148 0.000 1.112 163 A CA -0.308 51.496 52.037 -0.388 0.000 0.804 163 A CB -0.006 18.640 19.000 -0.589 0.000 1.081 163 A HN 0.819 nan 8.150 nan 0.000 0.499 164 N N -0.709 117.846 118.700 -0.242 0.000 2.192 164 N HA -0.120 4.628 4.740 0.014 0.000 0.188 164 N C 0.236 175.628 175.510 -0.196 0.000 1.013 164 N CA 1.104 54.060 53.050 -0.155 0.000 0.863 164 N CB -0.509 37.889 38.487 -0.149 0.000 0.990 164 N HN 0.609 nan 8.380 nan 0.000 0.430 165 Q N 0.013 119.650 119.800 -0.273 0.000 2.289 165 Q HA 0.139 4.487 4.340 0.014 0.000 0.273 165 Q C -0.446 175.156 176.000 -0.664 0.000 1.029 165 Q CA 0.442 55.958 55.803 -0.479 0.000 0.896 165 Q CB 0.642 29.026 28.738 -0.590 0.000 1.182 165 Q HN 0.040 nan 8.270 nan 0.000 0.385 166 T N 3.836 118.065 114.554 -0.542 0.000 2.832 166 T HA 0.358 4.716 4.350 0.014 0.000 0.296 166 T C -0.877 173.473 174.700 -0.583 0.000 0.968 166 T CA -0.025 61.804 62.100 -0.451 0.000 1.107 166 T CB 0.110 68.805 68.868 -0.288 0.000 0.916 166 T HN 0.260 nan 8.240 nan 0.000 0.517 167 Y N 1.616 121.804 120.300 -0.187 0.000 2.421 167 Y HA 0.453 5.012 4.550 0.014 0.000 0.339 167 Y C 0.162 175.890 175.900 -0.286 0.000 0.996 167 Y CA -1.263 56.724 58.100 -0.189 0.000 1.046 167 Y CB 1.010 39.388 38.460 -0.137 0.000 1.226 167 Y HN 0.460 nan 8.280 nan 0.000 0.445 168 L N 4.881 126.024 121.223 -0.134 0.000 2.464 168 L HA 0.155 4.504 4.340 0.014 0.000 0.264 168 L C -1.319 175.509 176.870 -0.070 0.000 1.199 168 L CA -1.473 53.221 54.840 -0.243 0.000 0.818 168 L CB 0.667 42.582 42.059 -0.240 0.000 1.102 168 L HN 0.452 nan 8.230 nan 0.000 0.473 169 P HA -0.187 nan 4.420 nan 0.000 0.216 169 P C 1.384 178.678 177.300 -0.010 0.000 1.150 169 P CA 1.410 64.522 63.100 0.021 0.000 0.843 169 P CB 0.105 31.851 31.700 0.076 0.000 0.787 170 S N -1.241 114.454 115.700 -0.010 0.000 2.522 170 S HA -0.048 4.430 4.470 0.014 0.000 0.227 170 S C 1.550 176.122 174.600 -0.046 0.000 0.986 170 S CA 0.703 58.892 58.200 -0.019 0.000 0.929 170 S CB -0.811 62.386 63.200 -0.005 0.000 0.769 170 S HN 0.266 nan 8.310 nan 0.000 0.529 171 E N 1.430 121.596 120.200 -0.056 0.000 2.472 171 E HA 0.078 4.436 4.350 0.014 0.000 0.196 171 E C 0.531 176.976 176.600 -0.259 0.000 1.033 171 E CA 0.150 56.503 56.400 -0.078 0.000 0.886 171 E CB 0.438 30.156 29.700 0.031 0.000 0.944 171 E HN 0.545 nan 8.360 nan 0.000 0.492 172 T N 1.815 116.206 114.554 -0.272 0.000 2.870 172 T HA 0.141 4.499 4.350 0.014 0.000 0.300 172 T C -2.502 171.977 174.700 -0.368 0.000 0.989 172 T CA -1.954 59.848 62.100 -0.496 0.000 1.139 172 T CB 0.668 69.376 68.868 -0.266 0.000 0.920 172 T HN -0.264 nan 8.240 nan 0.000 0.537 173 P HA 0.145 nan 4.420 nan 0.000 0.261 173 P C 0.703 177.947 177.300 -0.093 0.000 1.183 173 P CA 0.007 62.979 63.100 -0.213 0.000 0.761 173 P CB 0.208 31.808 31.700 -0.167 0.000 0.785 174 A N 6.974 129.761 122.820 -0.055 0.000 1.915 174 A HA -0.182 4.147 4.320 0.014 0.000 0.220 174 A C -0.369 177.227 177.584 0.020 0.000 1.198 174 A CA 1.955 53.980 52.037 -0.020 0.000 0.647 174 A CB -2.417 16.575 19.000 -0.014 0.000 0.825 174 A HN 0.489 nan 8.150 nan 0.000 0.456 175 P HA -0.054 nan 4.420 nan 0.000 0.228 175 P C 0.779 178.207 177.300 0.214 0.000 1.151 175 P CA 0.671 63.837 63.100 0.110 0.000 0.770 175 P CB 0.089 31.859 31.700 0.116 0.000 0.786 176 L N -2.366 118.968 121.223 0.185 0.000 2.664 176 L HA 0.073 4.421 4.340 0.014 0.000 0.233 176 L C 1.956 178.959 176.870 0.222 0.000 1.113 176 L CA 0.566 55.592 54.840 0.310 0.000 0.896 176 L CB -0.822 41.375 42.059 0.229 0.000 1.163 176 L HN -0.197 nan 8.230 nan 0.000 0.497 177 V N -0.295 119.670 119.914 0.086 0.000 2.332 177 V HA -0.318 3.811 4.120 0.014 0.000 0.248 177 V C 2.429 178.543 176.094 0.034 0.000 1.055 177 V CA 1.738 64.057 62.300 0.032 0.000 1.038 177 V CB -0.422 31.398 31.823 -0.005 0.000 0.651 177 V HN 0.423 nan 8.190 nan 0.000 0.450 178 K N -1.422 118.968 120.400 -0.017 0.000 2.155 178 K HA -0.113 4.216 4.320 0.014 0.000 0.203 178 K C 2.120 178.686 176.600 -0.056 0.000 1.052 178 K CA 1.306 57.539 56.287 -0.090 0.000 0.948 178 K CB -0.217 32.164 32.500 -0.198 0.000 0.728 178 K HN 0.481 nan 8.250 nan 0.000 0.448 179 Y N 0.896 121.262 120.300 0.111 0.000 2.293 179 Y HA -0.130 4.428 4.550 0.014 0.000 0.291 179 Y C 2.475 178.547 175.900 0.287 0.000 1.137 179 Y CA 1.118 59.319 58.100 0.168 0.000 1.202 179 Y CB -0.222 38.325 38.460 0.144 0.000 0.990 179 Y HN 0.013 nan 8.280 nan 0.000 0.537 180 R N 0.997 121.715 120.500 0.365 0.000 2.066 180 R HA -0.173 4.176 4.340 0.014 0.000 0.232 180 R C 2.166 178.527 176.300 0.100 0.000 1.131 180 R CA 1.894 58.083 56.100 0.149 0.000 0.955 180 R CB -0.188 30.093 30.300 -0.031 0.000 0.851 180 R HN 0.587 nan 8.270 nan 0.000 0.432 181 E N -0.197 120.052 120.200 0.081 0.000 2.152 181 E HA -0.211 4.148 4.350 0.014 0.000 0.192 181 E C 1.770 178.425 176.600 0.090 0.000 0.983 181 E CA 1.051 57.489 56.400 0.063 0.000 0.818 181 E CB -0.245 29.475 29.700 0.032 0.000 0.758 181 E HN 0.470 nan 8.360 nan 0.000 0.467 182 E N 1.108 121.369 120.200 0.101 0.000 2.110 182 E HA -0.222 4.137 4.350 0.014 0.000 0.193 182 E C 2.137 178.842 176.600 0.175 0.000 0.988 182 E CA 1.045 57.525 56.400 0.133 0.000 0.804 182 E CB 0.076 29.846 29.700 0.115 0.000 0.745 182 E HN 0.322 nan 8.360 nan 0.000 0.458 183 E N -0.048 120.255 120.200 0.171 0.000 2.152 183 E HA -0.160 4.199 4.350 0.014 0.000 0.192 183 E C 2.043 178.696 176.600 0.087 0.000 0.983 183 E CA 0.316 56.795 56.400 0.132 0.000 0.818 183 E CB 0.124 29.914 29.700 0.150 0.000 0.758 183 E HN 0.192 nan 8.360 nan 0.000 0.467 184 L N 1.003 122.272 121.223 0.076 0.000 2.083 184 L HA -0.208 4.141 4.340 0.014 0.000 0.209 184 L C 2.375 179.269 176.870 0.040 0.000 1.083 184 L CA 1.722 56.579 54.840 0.028 0.000 0.752 184 L CB -1.046 41.027 42.059 0.022 0.000 0.899 184 L HN 0.325 nan 8.230 nan 0.000 0.433 185 H N -0.859 118.210 119.070 -0.002 0.000 2.357 185 H HA -0.095 4.469 4.556 0.014 0.000 0.301 185 H C 1.737 177.076 175.328 0.019 0.000 1.082 185 H CA 1.354 57.404 56.048 0.002 0.000 1.342 185 H CB 0.378 30.149 29.762 0.015 0.000 1.389 185 H HN 0.373 nan 8.280 nan 0.000 0.511 186 N N 0.695 119.386 118.700 -0.015 0.000 2.244 186 N HA -0.113 4.636 4.740 0.014 0.000 0.183 186 N C 1.975 177.475 175.510 -0.017 0.000 1.016 186 N CA 0.348 53.369 53.050 -0.048 0.000 0.866 186 N CB -0.018 38.499 38.487 0.049 0.000 0.980 186 N HN 0.269 nan 8.380 nan 0.000 0.430 187 L N 1.506 122.742 121.223 0.022 0.000 2.201 187 L HA -0.015 4.333 4.340 0.014 0.000 0.212 187 L C 2.184 179.095 176.870 0.068 0.000 1.105 187 L CA 1.171 56.066 54.840 0.090 0.000 0.775 187 L CB -0.716 41.384 42.059 0.067 0.000 0.913 187 L HN 0.080 nan 8.230 nan 0.000 0.440 188 R N -1.018 119.459 120.500 -0.039 0.000 2.093 188 R HA 0.142 4.491 4.340 0.014 0.000 0.224 188 R C 1.217 177.480 176.300 -0.063 0.000 1.101 188 R CA 0.603 56.669 56.100 -0.058 0.000 0.979 188 R CB -0.227 30.016 30.300 -0.095 0.000 0.877 188 R HN 0.451 nan 8.270 nan 0.000 0.441 189 G N 1.341 110.070 108.800 -0.117 0.000 2.645 189 G HA2 -0.327 3.641 3.960 0.014 0.000 0.246 189 G HA3 -0.327 3.641 3.960 0.014 0.000 0.246 189 G C -0.300 174.533 174.900 -0.111 0.000 1.322 189 G CA 0.316 45.345 45.100 -0.119 0.000 0.898 189 G HN 0.497 nan 8.290 nan 0.000 0.573 190 D N -1.265 119.092 120.400 -0.072 0.000 2.500 190 D HA 0.449 5.098 4.640 0.014 0.000 0.217 190 D C 1.632 177.920 176.300 -0.020 0.000 1.159 190 D CA 1.162 55.141 54.000 -0.034 0.000 0.828 190 D CB 0.053 40.841 40.800 -0.020 0.000 1.039 190 D HN 2.246 nan 8.370 nan 0.000 0.512 191 G N 0.199 108.979 108.800 -0.033 0.000 2.141 191 G HA2 -0.207 3.762 3.960 0.014 0.000 0.242 191 G HA3 -0.207 3.762 3.960 0.014 0.000 0.242 191 G C 0.353 175.230 174.900 -0.038 0.000 0.982 191 G CA 0.471 45.557 45.100 -0.023 0.000 0.662 191 G HN 0.879 nan 8.290 nan 0.000 0.527 192 T N -2.258 112.263 114.554 -0.055 0.000 2.930 192 T HA 0.941 5.300 4.350 0.014 0.000 0.290 192 T C 0.560 175.203 174.700 -0.095 0.000 1.052 192 T CA 0.302 62.365 62.100 -0.062 0.000 1.017 192 T CB 2.438 71.279 68.868 -0.044 0.000 1.137 192 T HN 2.336 nan 8.240 nan 0.000 0.511 193 G N 0.423 109.163 108.800 -0.099 0.000 2.692 193 G HA2 -0.009 3.960 3.960 0.014 0.000 0.686 193 G HA3 -0.009 3.960 3.960 0.014 0.000 0.686 193 G C -0.706 174.088 174.900 -0.177 0.000 1.243 193 G CA -0.474 44.549 45.100 -0.128 0.000 0.782 193 G HN 1.079 nan 8.290 nan 0.000 0.625 194 E N 0.804 120.892 120.200 -0.185 0.000 2.259 194 E HA 0.320 4.679 4.350 0.014 0.000 0.281 194 E C 0.715 177.098 176.600 -0.362 0.000 1.037 194 E CA -0.747 55.514 56.400 -0.232 0.000 0.854 194 E CB 0.384 29.977 29.700 -0.178 0.000 1.051 194 E HN 0.407 nan 8.360 nan 0.000 0.409 195 R N 3.610 123.807 120.500 -0.505 0.000 2.543 195 R HA 0.215 4.563 4.340 0.014 0.000 0.277 195 R C -0.102 175.756 176.300 -0.736 0.000 1.074 195 R CA -0.127 55.461 56.100 -0.853 0.000 1.076 195 R CB 0.612 29.941 30.300 -1.618 0.000 0.993 195 R HN 0.438 nan 8.270 nan 0.000 0.459 196 K N 1.759 121.671 120.400 -0.813 0.000 2.221 196 K HA 0.141 4.470 4.320 0.014 0.000 0.243 196 K C 0.888 177.126 176.600 -0.605 0.000 0.968 196 K CA -0.731 55.072 56.287 -0.807 0.000 0.846 196 K CB 1.577 33.177 32.500 -1.500 0.000 1.141 196 K HN 0.548 nan 8.250 nan 0.000 0.434 197 E N 1.736 121.654 120.200 -0.470 0.000 2.097 197 E HA -0.169 4.190 4.350 0.014 0.000 0.196 197 E C 0.834 177.255 176.600 -0.298 0.000 1.000 197 E CA 1.644 57.903 56.400 -0.235 0.000 0.804 197 E CB 0.123 29.755 29.700 -0.113 0.000 0.740 197 E HN 0.663 nan 8.360 nan 0.000 0.454 198 W N 1.106 122.157 121.300 -0.415 0.000 2.937 198 W HA 0.188 4.856 4.660 0.013 0.000 0.245 198 W C 0.165 176.572 176.519 -0.188 0.000 1.306 198 W CA -0.204 56.722 57.345 -0.698 0.000 1.470 198 W CB -0.585 28.370 29.460 -0.841 0.000 1.132 198 W HN -0.070 nan 8.180 nan 0.000 0.675 199 E N 1.250 121.401 120.200 -0.082 0.000 2.319 199 E HA 0.291 4.649 4.350 0.014 0.000 0.268 199 E C -0.217 176.477 176.600 0.156 0.000 1.050 199 E CA -0.544 55.892 56.400 0.060 0.000 0.878 199 E CB 0.935 30.505 29.700 -0.217 0.000 1.066 199 E HN -0.077 nan 8.360 nan 0.000 0.406 200 R N 2.200 122.801 120.500 0.169 0.000 2.983 200 R HA 0.362 4.710 4.340 0.014 0.000 0.300 200 R C -0.646 175.712 176.300 0.096 0.000 1.367 200 R CA -0.131 56.036 56.100 0.110 0.000 1.564 200 R CB 0.095 30.510 30.300 0.193 0.000 1.314 200 R HN 0.343 nan 8.270 nan 0.000 0.622 201 I N 1.258 121.851 120.570 0.037 0.000 2.362 201 I HA 0.311 4.489 4.170 0.014 0.000 0.289 201 I C -0.749 175.353 176.117 -0.026 0.000 0.994 201 I CA -0.955 60.369 61.300 0.041 0.000 1.158 201 I CB 1.140 39.119 38.000 -0.035 0.000 1.315 201 I HN 0.181 nan 8.210 nan 0.000 0.451 202 Y N 4.745 125.035 120.300 -0.017 0.000 2.331 202 Y HA 0.537 5.096 4.550 0.014 0.000 0.338 202 Y C 0.006 175.800 175.900 -0.177 0.000 0.992 202 Y CA -0.392 57.658 58.100 -0.082 0.000 1.121 202 Y CB 1.172 39.575 38.460 -0.097 0.000 1.184 202 Y HN 0.469 nan 8.280 nan 0.000 0.469 203 D N 0.701 121.032 120.400 -0.116 0.000 2.768 203 D HA 0.346 4.994 4.640 0.014 0.000 0.327 203 D C -1.731 174.381 176.300 -0.312 0.000 1.302 203 D CA -0.721 53.146 54.000 -0.222 0.000 0.897 203 D CB 1.511 42.278 40.800 -0.055 0.000 1.420 203 D HN 0.294 nan 8.370 nan 0.000 0.494 204 Y N 0.142 120.439 120.300 -0.006 0.000 2.509 204 Y HA 0.599 5.158 4.550 0.014 0.000 0.341 204 Y C 0.182 176.060 175.900 -0.037 0.000 1.038 204 Y CA -0.640 57.442 58.100 -0.030 0.000 1.089 204 Y CB 1.829 40.263 38.460 -0.043 0.000 1.241 204 Y HN 0.094 nan 8.280 nan 0.000 0.468 205 D N -0.317 120.156 120.400 0.121 0.000 2.615 205 D HA 0.442 5.090 4.640 0.014 0.000 0.267 205 D C -1.207 175.119 176.300 0.045 0.000 1.236 205 D CA -0.439 53.593 54.000 0.052 0.000 0.839 205 D CB 2.464 43.261 40.800 -0.004 0.000 1.380 205 D HN 0.376 nan 8.370 nan 0.000 0.433 206 V N -0.398 119.551 119.914 0.058 0.000 3.295 206 V HA 0.442 4.571 4.120 0.014 0.000 0.308 206 V C -0.076 176.075 176.094 0.095 0.000 1.068 206 V CA -0.245 62.132 62.300 0.129 0.000 1.062 206 V CB 0.424 32.326 31.823 0.132 0.000 1.162 206 V HN 0.461 nan 8.190 nan 0.000 0.456 207 Y N 2.367 122.707 120.300 0.067 0.000 2.632 207 Y HA 0.280 4.838 4.550 0.014 0.000 0.336 207 Y C 1.277 177.173 175.900 -0.008 0.000 1.237 207 Y CA -0.072 58.050 58.100 0.038 0.000 1.595 207 Y CB -0.627 37.851 38.460 0.030 0.000 1.508 207 Y HN 0.856 nan 8.280 nan 0.000 0.480 208 N N -1.712 117.035 118.700 0.079 0.000 2.328 208 N HA 0.055 4.804 4.740 0.014 0.000 0.247 208 N C 0.167 175.688 175.510 0.019 0.000 1.165 208 N CA -0.039 53.037 53.050 0.044 0.000 0.873 208 N CB 0.442 38.951 38.487 0.036 0.000 1.125 208 N HN 0.262 nan 8.380 nan 0.000 0.513 209 D N -0.352 120.061 120.400 0.022 0.000 2.473 209 D HA 0.134 4.782 4.640 0.014 0.000 0.230 209 D C 1.213 177.515 176.300 0.004 0.000 1.097 209 D CA 0.030 54.029 54.000 -0.002 0.000 0.861 209 D CB 0.479 41.260 40.800 -0.033 0.000 1.114 209 D HN 0.101 nan 8.370 nan 0.000 0.500 210 L N 0.072 121.305 121.223 0.016 0.000 2.446 210 L HA 0.373 4.722 4.340 0.014 0.000 0.219 210 L C 1.478 178.339 176.870 -0.015 0.000 1.116 210 L CA 0.447 55.286 54.840 -0.003 0.000 0.844 210 L CB -0.441 41.610 42.059 -0.014 0.000 0.970 210 L HN -0.056 nan 8.230 nan 0.000 0.457 211 G N -1.988 106.809 108.800 -0.006 0.000 2.601 211 G HA2 0.409 4.377 3.960 0.014 0.000 0.317 211 G HA3 0.409 4.377 3.960 0.014 0.000 0.317 211 G C -1.278 173.632 174.900 0.016 0.000 1.246 211 G CA -0.159 44.946 45.100 0.008 0.000 1.012 211 G HN -0.018 nan 8.290 nan 0.000 0.494 212 D N -0.477 119.947 120.400 0.040 0.000 2.405 212 D HA 0.347 4.996 4.640 0.014 0.000 0.264 212 D C -1.805 174.510 176.300 0.025 0.000 1.240 212 D CA -1.646 52.360 54.000 0.010 0.000 0.893 212 D CB 1.917 42.696 40.800 -0.034 0.000 1.198 212 D HN -0.018 nan 8.370 nan 0.000 0.514 213 P HA 0.020 nan 4.420 nan 0.000 0.225 213 P C 0.766 178.074 177.300 0.014 0.000 1.156 213 P CA 0.439 63.560 63.100 0.036 0.000 0.787 213 P CB 0.631 32.348 31.700 0.028 0.000 0.802 214 D N 0.234 120.628 120.400 -0.011 0.000 2.218 214 D HA -0.112 4.537 4.640 0.014 0.000 0.204 214 D C 1.650 177.922 176.300 -0.047 0.000 0.976 214 D CA 1.056 55.041 54.000 -0.024 0.000 0.853 214 D CB -0.277 40.505 40.800 -0.030 0.000 0.939 214 D HN 0.253 nan 8.370 nan 0.000 0.481 215 K N -0.338 120.006 120.400 -0.094 0.000 2.366 215 K HA 0.218 4.547 4.320 0.014 0.000 0.198 215 K C 0.970 177.518 176.600 -0.087 0.000 1.044 215 K CA 0.485 56.668 56.287 -0.175 0.000 0.973 215 K CB 0.556 32.789 32.500 -0.443 0.000 0.767 215 K HN 0.133 nan 8.250 nan 0.000 0.475 216 G N 0.624 109.436 108.800 0.020 0.000 2.350 216 G HA2 -0.101 3.868 3.960 0.014 0.000 0.304 216 G HA3 -0.101 3.868 3.960 0.014 0.000 0.304 216 G C -0.219 174.759 174.900 0.131 0.000 1.421 216 G CA -0.594 44.571 45.100 0.108 0.000 0.934 216 G HN 0.028 nan 8.290 nan 0.000 0.632 217 E N 0.065 120.319 120.200 0.090 0.000 2.208 217 E HA -0.146 4.213 4.350 0.014 0.000 0.193 217 E C 1.554 178.181 176.600 0.044 0.000 0.988 217 E CA 1.173 57.609 56.400 0.060 0.000 0.828 217 E CB -0.144 29.581 29.700 0.042 0.000 0.763 217 E HN 0.625 nan 8.360 nan 0.000 0.478 218 N N 0.861 119.579 118.700 0.030 0.000 2.515 218 N HA -0.139 4.610 4.740 0.014 0.000 0.185 218 N C 1.006 176.387 175.510 -0.215 0.000 1.109 218 N CA 0.455 53.454 53.050 -0.086 0.000 0.903 218 N CB -0.243 38.175 38.487 -0.116 0.000 0.969 218 N HN 0.275 nan 8.380 nan 0.000 0.450 219 H N -0.103 118.954 119.070 -0.021 0.000 2.551 219 H HA 0.292 4.857 4.556 0.014 0.000 0.271 219 H C 0.516 175.827 175.328 -0.029 0.000 0.984 219 H CA -0.058 55.972 56.048 -0.030 0.000 1.164 219 H CB 0.693 30.441 29.762 -0.025 0.000 1.437 219 H HN 0.272 nan 8.280 nan 0.000 0.550 220 A N 1.951 124.810 122.820 0.066 0.000 2.425 220 A HA 0.382 4.711 4.320 0.014 0.000 0.249 220 A C 0.317 177.902 177.584 0.001 0.000 1.084 220 A CA -0.167 51.892 52.037 0.036 0.000 0.781 220 A CB 0.567 19.590 19.000 0.039 0.000 1.019 220 A HN 0.127 nan 8.150 nan 0.000 0.490 221 R N 1.336 121.829 120.500 -0.010 0.000 2.686 221 R HA 0.534 4.882 4.340 0.014 0.000 0.286 221 R C -2.908 173.365 176.300 -0.045 0.000 0.969 221 R CA -2.174 53.897 56.100 -0.049 0.000 0.898 221 R CB 0.739 30.994 30.300 -0.075 0.000 1.183 221 R HN 0.519 nan 8.270 nan 0.000 0.456 222 P HA 0.002 nan 4.420 nan 0.000 0.269 222 P C -0.306 176.953 177.300 -0.068 0.000 1.209 222 P CA -0.435 62.635 63.100 -0.051 0.000 0.776 222 P CB 0.566 32.161 31.700 -0.175 0.000 0.876 223 V N 4.654 124.586 119.914 0.029 0.000 2.521 223 V HA 0.139 4.268 4.120 0.014 0.000 0.286 223 V C -0.560 175.565 176.094 0.052 0.000 1.034 223 V CA -0.054 62.274 62.300 0.046 0.000 1.045 223 V CB -0.541 31.329 31.823 0.079 0.000 0.974 223 V HN 0.257 nan 8.190 nan 0.000 0.480 224 L N 7.982 129.209 121.223 0.007 0.000 2.265 224 L HA 0.865 5.213 4.340 0.014 0.000 0.289 224 L C 0.527 177.491 176.870 0.158 0.000 1.033 224 L CA 0.166 54.986 54.840 -0.032 0.000 0.814 224 L CB 0.929 42.692 42.059 -0.494 0.000 1.203 224 L HN 1.107 nan 8.230 nan 0.000 0.423 225 G N 1.240 110.174 108.800 0.223 0.000 2.617 225 G HA2 0.309 4.277 3.960 0.014 0.000 0.686 225 G HA3 0.309 4.277 3.960 0.014 0.000 0.686 225 G C 0.288 175.295 174.900 0.179 0.000 1.214 225 G CA -0.302 44.939 45.100 0.236 0.000 0.796 225 G HN 1.114 nan 8.290 nan 0.000 0.654 226 G N -0.651 108.240 108.800 0.152 0.000 2.148 226 G HA2 0.104 4.073 3.960 0.014 0.000 0.254 226 G HA3 0.104 4.073 3.960 0.014 0.000 0.254 226 G C 0.219 175.183 174.900 0.107 0.000 0.981 226 G CA 1.222 46.387 45.100 0.109 0.000 0.670 226 G HN 2.649 nan 8.290 nan 0.000 0.528 227 N N -1.986 116.794 118.700 0.134 0.000 2.708 227 N HA 0.548 5.296 4.740 0.014 0.000 0.257 227 N C -0.041 175.538 175.510 0.115 0.000 1.373 227 N CA -0.501 52.614 53.050 0.109 0.000 0.843 227 N CB 0.696 39.250 38.487 0.112 0.000 1.503 227 N HN -0.182 nan 8.380 nan 0.000 0.504 228 D N -0.552 119.891 120.400 0.072 0.000 2.323 228 D HA -0.015 4.634 4.640 0.014 0.000 0.209 228 D C 0.769 177.087 176.300 0.031 0.000 0.973 228 D CA 1.090 55.130 54.000 0.067 0.000 0.874 228 D CB 0.037 40.862 40.800 0.042 0.000 0.930 228 D HN 0.625 nan 8.370 nan 0.000 0.521 229 T N 0.242 114.770 114.554 -0.043 0.000 2.732 229 T HA -0.052 4.306 4.350 0.014 0.000 0.261 229 T C 0.610 175.147 174.700 -0.270 0.000 1.040 229 T CA 0.676 62.633 62.100 -0.238 0.000 1.145 229 T CB 0.005 68.620 68.868 -0.421 0.000 0.866 229 T HN -0.001 nan 8.240 nan 0.000 0.427 230 F N 2.977 122.999 119.950 0.120 0.000 2.389 230 F HA 0.371 4.907 4.527 0.015 0.000 0.327 230 F C -2.398 173.514 175.800 0.187 0.000 1.204 230 F CA -3.644 54.435 58.000 0.131 0.000 1.209 230 F CB 0.631 39.670 39.000 0.064 0.000 1.460 230 F HN -0.042 nan 8.300 nan 0.000 0.537 231 P HA 0.161 nan 4.420 nan 0.000 0.274 231 P C -1.146 176.488 177.300 0.557 0.000 1.231 231 P CA 0.035 63.416 63.100 0.467 0.000 0.790 231 P CB 1.733 33.726 31.700 0.489 0.000 0.951 232 Y N 0.891 121.238 120.300 0.079 0.000 2.604 232 Y HA 0.334 4.893 4.550 0.014 0.000 0.331 232 Y C -2.461 173.193 175.900 -0.411 0.000 1.158 232 Y CA -2.226 55.614 58.100 -0.433 0.000 1.056 232 Y CB 1.904 40.212 38.460 -0.255 0.000 1.330 232 Y HN 0.268 nan 8.280 nan 0.000 0.457 233 P HA 0.223 nan 4.420 nan 0.000 0.272 233 P C -0.586 176.646 177.300 -0.114 0.000 1.230 233 P CA -0.217 62.570 63.100 -0.522 0.000 0.788 233 P CB 0.823 32.080 31.700 -0.738 0.000 0.949 234 R N 1.273 121.719 120.500 -0.090 0.000 2.637 234 R HA 0.368 4.717 4.340 0.014 0.000 0.269 234 R C 0.861 177.226 176.300 0.108 0.000 1.089 234 R CA -0.252 55.900 56.100 0.087 0.000 1.177 234 R CB 0.176 30.537 30.300 0.103 0.000 1.091 234 R HN 0.652 nan 8.270 nan 0.000 0.540 235 R N -1.214 119.293 120.500 0.010 0.000 2.960 235 R HA 0.523 4.872 4.340 0.014 0.000 0.249 235 R C -0.072 176.183 176.300 -0.076 0.000 1.192 235 R CA -0.782 55.255 56.100 -0.104 0.000 1.035 235 R CB -0.260 29.763 30.300 -0.461 0.000 1.234 235 R HN 0.617 nan 8.270 nan 0.000 0.493 236 G N 0.762 109.510 108.800 -0.087 0.000 2.299 236 G HA2 0.107 4.076 3.960 0.014 0.000 0.256 236 G HA3 0.107 4.076 3.960 0.014 0.000 0.256 236 G C -0.522 174.348 174.900 -0.050 0.000 1.259 236 G CA -0.407 44.648 45.100 -0.075 0.000 0.943 236 G HN 0.528 nan 8.290 nan 0.000 0.479 237 R N 1.705 122.181 120.500 -0.040 0.000 2.489 237 R HA 0.250 4.598 4.340 0.014 0.000 0.287 237 R C 0.414 176.706 176.300 -0.013 0.000 1.053 237 R CA 0.293 56.373 56.100 -0.033 0.000 1.036 237 R CB 0.245 30.521 30.300 -0.040 0.000 0.966 237 R HN 0.584 nan 8.270 nan 0.000 0.432 238 T N 0.446 114.975 114.554 -0.041 0.000 2.932 238 T HA 0.458 4.817 4.350 0.014 0.000 0.289 238 T C 0.699 175.306 174.700 -0.155 0.000 1.039 238 T CA -0.754 61.308 62.100 -0.063 0.000 1.024 238 T CB 2.029 70.898 68.868 0.002 0.000 1.090 238 T HN 0.554 nan 8.240 nan 0.000 0.496 239 G N 0.575 109.235 108.800 -0.234 0.000 3.609 239 G HA2 0.247 4.215 3.960 0.014 0.000 0.280 239 G HA3 0.247 4.215 3.960 0.014 0.000 0.280 239 G C 0.406 175.229 174.900 -0.128 0.000 1.155 239 G CA -0.694 44.295 45.100 -0.184 0.000 0.876 239 G HN 0.617 nan 8.290 nan 0.000 0.535 240 R N 0.699 121.139 120.500 -0.100 0.000 2.774 240 R HA 0.273 4.622 4.340 0.014 0.000 0.269 240 R C 0.568 176.831 176.300 -0.061 0.000 1.068 240 R CA -0.287 55.766 56.100 -0.078 0.000 1.180 240 R CB 0.627 30.890 30.300 -0.061 0.000 1.077 240 R HN 0.338 nan 8.270 nan 0.000 0.513 241 K N 1.979 122.347 120.400 -0.053 0.000 2.326 241 K HA 0.204 4.532 4.320 0.014 0.000 0.275 241 K C -2.266 174.314 176.600 -0.032 0.000 1.018 241 K CA -1.530 54.733 56.287 -0.041 0.000 0.962 241 K CB 0.412 32.890 32.500 -0.037 0.000 0.953 241 K HN 0.262 nan 8.250 nan 0.000 0.475 242 P HA -0.043 nan 4.420 nan 0.000 0.269 242 P C -0.359 176.932 177.300 -0.016 0.000 1.215 242 P CA -0.179 62.910 63.100 -0.018 0.000 0.780 242 P CB 0.401 32.093 31.700 -0.013 0.000 0.898 243 T N 2.420 116.967 114.554 -0.012 0.000 2.946 243 T HA -0.032 4.326 4.350 0.014 0.000 0.312 243 T C 1.797 176.492 174.700 -0.008 0.000 1.066 243 T CA 0.312 62.406 62.100 -0.011 0.000 1.138 243 T CB 0.055 68.920 68.868 -0.005 0.000 1.014 243 T HN 0.328 nan 8.240 nan 0.000 0.544 244 R N 1.762 122.257 120.500 -0.009 0.000 2.148 244 R HA 0.007 4.356 4.340 0.014 0.000 0.227 244 R C 2.308 178.607 176.300 -0.003 0.000 1.103 244 R CA 0.971 57.067 56.100 -0.007 0.000 0.983 244 R CB 0.076 30.371 30.300 -0.009 0.000 0.874 244 R HN 0.499 nan 8.270 nan 0.000 0.451 245 K N -0.265 120.134 120.400 -0.000 0.000 2.262 245 K HA -0.018 4.310 4.320 0.014 0.000 0.200 245 K C -0.167 176.439 176.600 0.009 0.000 1.049 245 K CA 0.546 56.836 56.287 0.005 0.000 0.979 245 K CB 0.385 32.890 32.500 0.008 0.000 0.773 245 K HN -0.027 nan 8.250 nan 0.000 0.474 246 D N 0.161 120.566 120.400 0.008 0.000 2.476 246 D HA 0.126 4.774 4.640 0.014 0.000 0.251 246 D C -2.081 174.224 176.300 0.009 0.000 1.291 246 D CA -2.240 51.767 54.000 0.012 0.000 0.939 246 D CB 1.755 42.565 40.800 0.017 0.000 1.221 246 D HN -0.212 nan 8.370 nan 0.000 0.567 247 P HA -0.103 nan 4.420 nan 0.000 0.221 247 P C 0.575 177.880 177.300 0.008 0.000 1.145 247 P CA 0.707 63.811 63.100 0.005 0.000 0.795 247 P CB 0.424 32.128 31.700 0.006 0.000 0.775 248 N N -0.773 117.936 118.700 0.015 0.000 2.398 248 N HA 0.034 4.782 4.740 0.014 0.000 0.188 248 N C 0.293 175.815 175.510 0.019 0.000 1.122 248 N CA 0.486 53.548 53.050 0.020 0.000 0.866 248 N CB 0.143 38.648 38.487 0.030 0.000 0.970 248 N HN 0.096 nan 8.380 nan 0.000 0.462 249 S N 0.270 115.978 115.700 0.013 0.000 2.537 249 S HA 0.213 4.691 4.470 0.014 0.000 0.301 249 S C -0.153 174.446 174.600 -0.001 0.000 1.092 249 S CA -0.719 57.487 58.200 0.009 0.000 1.048 249 S CB 2.619 65.826 63.200 0.011 0.000 1.053 249 S HN 0.131 nan 8.310 nan 0.000 0.501 250 E N 1.809 122.005 120.200 -0.007 0.000 2.283 250 E HA 0.303 4.661 4.350 0.014 0.000 0.278 250 E C -0.132 176.456 176.600 -0.019 0.000 1.027 250 E CA -0.573 55.817 56.400 -0.018 0.000 0.843 250 E CB 0.687 30.372 29.700 -0.025 0.000 1.062 250 E HN 0.670 nan 8.360 nan 0.000 0.401 251 S N 4.389 120.075 115.700 -0.023 0.000 2.568 251 S HA 0.164 4.642 4.470 0.014 0.000 0.282 251 S C 0.344 174.929 174.600 -0.026 0.000 1.338 251 S CA -0.658 57.528 58.200 -0.024 0.000 1.045 251 S CB 0.876 64.060 63.200 -0.027 0.000 0.873 251 S HN 0.468 nan 8.310 nan 0.000 0.516 252 R N 1.021 121.505 120.500 -0.026 0.000 2.539 252 R HA 0.502 4.850 4.340 0.014 0.000 0.275 252 R C -0.052 176.233 176.300 -0.026 0.000 1.077 252 R CA -0.158 55.927 56.100 -0.026 0.000 1.097 252 R CB 1.305 31.589 30.300 -0.028 0.000 1.018 252 R HN 0.728 nan 8.270 nan 0.000 0.483 253 S N -0.017 115.668 115.700 -0.024 0.000 2.588 253 S HA 0.231 4.709 4.470 0.014 0.000 0.275 253 S C 0.350 174.940 174.600 -0.018 0.000 1.130 253 S CA -0.704 57.483 58.200 -0.022 0.000 0.855 253 S CB 1.392 64.579 63.200 -0.023 0.000 1.116 253 S HN 0.556 nan 8.310 nan 0.000 0.472 254 N N 1.295 119.986 118.700 -0.016 0.000 2.463 254 N HA 0.085 4.833 4.740 0.014 0.000 0.181 254 N C -0.902 174.603 175.510 -0.007 0.000 1.078 254 N CA 0.756 53.799 53.050 -0.013 0.000 0.902 254 N CB 0.153 38.633 38.487 -0.012 0.000 0.970 254 N HN 0.546 nan 8.380 nan 0.000 0.451 255 D N 0.605 121.002 120.400 -0.006 0.000 2.481 255 D HA 0.160 4.808 4.640 0.014 0.000 0.246 255 D C -0.255 176.045 176.300 0.001 0.000 1.109 255 D CA -0.363 53.637 54.000 -0.001 0.000 0.845 255 D CB 2.468 43.266 40.800 -0.003 0.000 1.160 255 D HN -0.166 nan 8.370 nan 0.000 0.534 256 V N 1.201 121.117 119.914 0.004 0.000 2.350 256 V HA 0.351 4.480 4.120 0.014 0.000 0.276 256 V C -0.026 176.075 176.094 0.011 0.000 1.028 256 V CA -0.998 61.308 62.300 0.010 0.000 0.860 256 V CB 0.551 32.376 31.823 0.002 0.000 0.990 256 V HN 0.408 nan 8.190 nan 0.000 0.453 257 Y N 7.072 127.313 120.300 -0.099 0.000 2.597 257 Y HA 0.508 5.067 4.550 0.015 0.000 0.336 257 Y C -0.188 175.640 175.900 -0.120 0.000 1.216 257 Y CA 0.042 58.063 58.100 -0.131 0.000 1.463 257 Y CB 0.692 39.046 38.460 -0.177 0.000 1.303 257 Y HN 0.872 nan 8.280 nan 0.000 0.576 258 L N 4.053 124.665 121.223 -1.019 0.000 2.465 258 L HA 0.707 5.055 4.340 0.014 0.000 0.257 258 L C -3.042 173.014 176.870 -1.356 0.000 0.988 258 L CA -2.781 51.467 54.840 -0.987 0.000 0.827 258 L CB 1.750 43.573 42.059 -0.393 0.000 1.397 258 L HN 0.325 nan 8.230 nan 0.000 0.410 259 P HA 0.150 nan 4.420 nan 0.000 0.264 259 P C 0.020 177.113 177.300 -0.345 0.000 1.193 259 P CA -0.294 62.392 63.100 -0.690 0.000 0.763 259 P CB 0.862 31.957 31.700 -1.008 0.000 0.810 260 R N 3.331 123.738 120.500 -0.155 0.000 2.119 260 R HA -0.179 4.169 4.340 0.014 0.000 0.246 260 R C 0.848 177.203 176.300 0.091 0.000 1.146 260 R CA 1.972 58.062 56.100 -0.017 0.000 0.962 260 R CB -1.096 29.280 30.300 0.127 0.000 0.863 260 R HN 0.439 nan 8.270 nan 0.000 0.442 261 D N 0.234 120.737 120.400 0.172 0.000 2.349 261 D HA -0.039 4.609 4.640 0.014 0.000 0.224 261 D C 0.818 177.147 176.300 0.048 0.000 1.029 261 D CA 0.287 54.409 54.000 0.203 0.000 0.879 261 D CB 0.195 41.171 40.800 0.293 0.000 0.906 261 D HN 0.321 nan 8.370 nan 0.000 0.528 262 E N 0.486 120.729 120.200 0.073 0.000 2.435 262 E HA 0.055 4.414 4.350 0.014 0.000 0.195 262 E C 0.705 177.377 176.600 0.120 0.000 1.029 262 E CA 0.087 56.570 56.400 0.139 0.000 0.865 262 E CB 0.253 30.024 29.700 0.119 0.000 0.833 262 E HN 0.092 nan 8.360 nan 0.000 0.510 263 A N 1.454 124.277 122.820 0.006 0.000 2.316 263 A HA 0.421 4.750 4.320 0.014 0.000 0.311 263 A C -0.671 176.914 177.584 0.002 0.000 1.339 263 A CA -0.393 51.677 52.037 0.054 0.000 0.960 263 A CB -0.457 18.543 19.000 -0.000 0.000 1.152 263 A HN -0.080 nan 8.150 nan 0.000 0.547 264 F N 1.901 121.891 119.950 0.066 0.000 2.394 264 F HA 0.513 5.048 4.527 0.013 0.000 0.340 264 F C 1.258 176.921 175.800 -0.228 0.000 1.105 264 F CA 0.363 58.328 58.000 -0.058 0.000 1.124 264 F CB 1.649 40.566 39.000 -0.138 0.000 1.145 264 F HN 0.636 nan 8.300 nan 0.000 0.505 265 G N 1.772 110.504 108.800 -0.113 0.000 2.522 265 G HA2 0.459 4.428 3.960 0.014 0.000 0.304 265 G HA3 0.459 4.428 3.960 0.014 0.000 0.304 265 G C -1.086 173.357 174.900 -0.761 0.000 1.210 265 G CA -0.403 44.600 45.100 -0.161 0.000 0.960 265 G HN 0.649 nan 8.290 nan 0.000 0.497 266 H N -0.534 118.362 119.070 -0.290 0.000 2.928 266 H HA 0.277 4.842 4.556 0.016 0.000 0.371 266 H C -0.010 175.305 175.328 -0.021 0.000 1.186 266 H CA -0.708 55.136 56.048 -0.340 0.000 1.134 266 H CB 2.218 31.525 29.762 -0.759 0.000 1.824 266 H HN 0.227 nan 8.280 nan 0.000 0.554 267 L N 0.412 121.700 121.223 0.108 0.000 2.418 267 L HA 0.140 4.488 4.340 0.014 0.000 0.218 267 L C 0.684 177.648 176.870 0.156 0.000 1.125 267 L CA 1.358 56.273 54.840 0.126 0.000 0.835 267 L CB -0.282 41.822 42.059 0.074 0.000 0.953 267 L HN 0.343 nan 8.230 nan 0.000 0.454 268 K N -1.519 118.975 120.400 0.157 0.000 2.345 268 K HA 0.179 4.507 4.320 0.014 0.000 0.255 268 K C 1.049 177.780 176.600 0.219 0.000 0.934 268 K CA -0.110 56.259 56.287 0.137 0.000 0.801 268 K CB 2.064 34.606 32.500 0.069 0.000 1.137 268 K HN -0.248 nan 8.250 nan 0.000 0.424 269 S N 1.196 117.023 115.700 0.212 0.000 2.368 269 S HA -0.182 4.297 4.470 0.014 0.000 0.226 269 S C 1.551 176.276 174.600 0.208 0.000 1.044 269 S CA 2.494 60.828 58.200 0.224 0.000 1.062 269 S CB -0.139 63.117 63.200 0.093 0.000 0.931 269 S HN 0.785 nan 8.310 nan 0.000 0.440 270 S N 0.558 116.321 115.700 0.104 0.000 2.500 270 S HA -0.055 4.424 4.470 0.014 0.000 0.239 270 S C 0.959 175.560 174.600 0.000 0.000 0.989 270 S CA 1.055 59.287 58.200 0.053 0.000 0.951 270 S CB -0.359 62.857 63.200 0.026 0.000 0.759 270 S HN 0.488 nan 8.310 nan 0.000 0.523 271 D N 0.479 120.837 120.400 -0.069 0.000 2.350 271 D HA 0.186 4.834 4.640 0.014 0.000 0.213 271 D C -0.322 175.605 176.300 -0.621 0.000 1.031 271 D CA 0.030 53.835 54.000 -0.324 0.000 0.861 271 D CB -0.300 40.257 40.800 -0.405 0.000 0.926 271 D HN 0.449 nan 8.370 nan 0.000 0.520 272 F N 1.399 121.215 119.950 -0.223 0.000 2.662 272 F HA 0.117 4.650 4.527 0.011 0.000 0.365 272 F C 1.655 177.463 175.800 0.014 0.000 1.222 272 F CA -0.131 57.821 58.000 -0.080 0.000 1.315 272 F CB -0.260 38.746 39.000 0.011 0.000 1.711 272 F HN -0.140 nan 8.300 nan 0.000 0.651 273 L N -0.129 121.123 121.223 0.048 0.000 2.156 273 L HA -0.151 4.197 4.340 0.014 0.000 0.208 273 L C 2.621 179.574 176.870 0.139 0.000 1.095 273 L CA 1.380 56.270 54.840 0.082 0.000 0.770 273 L CB -0.892 41.186 42.059 0.032 0.000 0.914 273 L HN 0.475 nan 8.230 nan 0.000 0.439 274 T N -3.052 111.614 114.554 0.186 0.000 2.788 274 T HA -0.305 4.053 4.350 0.014 0.000 0.268 274 T C 1.829 176.640 174.700 0.185 0.000 1.044 274 T CA 1.219 63.429 62.100 0.184 0.000 1.139 274 T CB -0.698 68.299 68.868 0.215 0.000 0.867 274 T HN 0.330 nan 8.240 nan 0.000 0.454 275 Y N 2.334 122.716 120.300 0.138 0.000 2.293 275 Y HA 0.137 4.692 4.550 0.009 0.000 0.291 275 Y C 2.570 178.498 175.900 0.046 0.000 1.137 275 Y CA 0.956 59.113 58.100 0.095 0.000 1.202 275 Y CB -0.693 37.835 38.460 0.113 0.000 0.990 275 Y HN 0.295 nan 8.280 nan 0.000 0.537 276 G N -0.003 108.893 108.800 0.159 0.000 2.404 276 G HA2 -0.230 3.738 3.960 0.014 0.000 0.215 276 G HA3 -0.230 3.738 3.960 0.014 0.000 0.215 276 G C 1.483 176.360 174.900 -0.039 0.000 1.174 276 G CA 0.858 45.974 45.100 0.026 0.000 0.780 276 G HN 0.317 nan 8.290 nan 0.000 0.537 277 L N 1.067 122.291 121.223 0.001 0.000 2.013 277 L HA -0.054 4.295 4.340 0.014 0.000 0.212 277 L C 2.707 179.558 176.870 -0.032 0.000 1.073 277 L CA 2.146 56.986 54.840 -0.000 0.000 0.753 277 L CB -0.913 41.166 42.059 0.034 0.000 0.890 277 L HN 0.294 nan 8.230 nan 0.000 0.432 278 K N -1.080 119.283 120.400 -0.061 0.000 2.044 278 K HA -0.183 4.145 4.320 0.014 0.000 0.210 278 K C 2.055 178.568 176.600 -0.146 0.000 1.049 278 K CA 1.899 58.120 56.287 -0.109 0.000 0.927 278 K CB -0.054 32.347 32.500 -0.166 0.000 0.713 278 K HN 0.266 nan 8.250 nan 0.000 0.443 279 S N 0.126 115.701 115.700 -0.208 0.000 2.402 279 S HA -0.091 4.387 4.470 0.014 0.000 0.229 279 S C 1.882 176.447 174.600 -0.059 0.000 1.021 279 S CA 1.075 59.174 58.200 -0.168 0.000 0.974 279 S CB -0.055 63.030 63.200 -0.192 0.000 0.800 279 S HN 0.128 nan 8.310 nan 0.000 0.484 280 V N 1.973 121.868 119.914 -0.033 0.000 2.295 280 V HA -0.171 3.957 4.120 0.014 0.000 0.246 280 V C 2.408 178.529 176.094 0.044 0.000 1.049 280 V CA 2.064 64.387 62.300 0.039 0.000 1.024 280 V CB -0.906 30.949 31.823 0.054 0.000 0.648 280 V HN 0.472 nan 8.190 nan 0.000 0.447 281 S N -0.749 114.959 115.700 0.014 0.000 2.356 281 S HA -0.295 4.183 4.470 0.014 0.000 0.223 281 S C 1.960 176.569 174.600 0.016 0.000 1.032 281 S CA 1.704 59.913 58.200 0.016 0.000 1.005 281 S CB -0.340 62.857 63.200 -0.004 0.000 0.867 281 S HN 0.603 nan 8.310 nan 0.000 0.449 282 Q N 0.680 120.473 119.800 -0.011 0.000 2.083 282 Q HA 0.077 4.425 4.340 0.014 0.000 0.198 282 Q C 1.861 177.865 176.000 0.006 0.000 0.969 282 Q CA 1.052 56.846 55.803 -0.014 0.000 0.838 282 Q CB 0.106 28.813 28.738 -0.051 0.000 0.900 282 Q HN 0.446 nan 8.270 nan 0.000 0.436 283 N N -1.563 117.145 118.700 0.012 0.000 2.564 283 N HA 0.015 4.764 4.740 0.014 0.000 0.202 283 N C 1.592 177.147 175.510 0.075 0.000 1.052 283 N CA 0.638 53.709 53.050 0.034 0.000 0.872 283 N CB 0.589 39.088 38.487 0.021 0.000 1.303 283 N HN 0.021 nan 8.380 nan 0.000 0.440 284 V N 2.389 122.364 119.914 0.101 0.000 2.488 284 V HA -0.066 4.062 4.120 0.014 0.000 0.246 284 V C 2.436 178.630 176.094 0.167 0.000 1.046 284 V CA 0.871 63.268 62.300 0.161 0.000 1.053 284 V CB -0.361 31.614 31.823 0.253 0.000 0.679 284 V HN 0.181 nan 8.190 nan 0.000 0.458 285 L N 0.468 121.782 121.223 0.151 0.000 1.976 285 L HA -0.093 4.256 4.340 0.014 0.000 0.209 285 L C -0.062 176.938 176.870 0.216 0.000 1.071 285 L CA 2.151 57.109 54.840 0.196 0.000 0.746 285 L CB -1.223 40.924 42.059 0.148 0.000 0.890 285 L HN 0.293 nan 8.230 nan 0.000 0.432 286 P HA -0.194 nan 4.420 nan 0.000 0.216 286 P C 1.771 179.130 177.300 0.098 0.000 1.150 286 P CA 1.561 64.720 63.100 0.099 0.000 0.843 286 P CB 0.007 31.744 31.700 0.062 0.000 0.787 287 L N -2.383 118.903 121.223 0.105 0.000 2.341 287 L HA -0.053 4.296 4.340 0.014 0.000 0.214 287 L C 2.048 178.990 176.870 0.119 0.000 1.115 287 L CA 0.395 55.289 54.840 0.089 0.000 0.820 287 L CB -0.512 41.589 42.059 0.071 0.000 0.944 287 L HN -0.003 nan 8.230 nan 0.000 0.452 288 L N -0.400 120.943 121.223 0.200 0.000 2.131 288 L HA -0.120 4.229 4.340 0.014 0.000 0.206 288 L C 2.440 179.527 176.870 0.361 0.000 1.087 288 L CA 1.595 56.617 54.840 0.303 0.000 0.767 288 L CB -0.639 41.671 42.059 0.419 0.000 0.917 288 L HN 0.244 nan 8.230 nan 0.000 0.441 289 Q N -1.388 118.579 119.800 0.279 0.000 2.436 289 Q HA -0.089 4.260 4.340 0.014 0.000 0.209 289 Q C 1.560 177.539 176.000 -0.036 0.000 0.965 289 Q CA 0.823 56.602 55.803 -0.039 0.000 0.910 289 Q CB 0.235 28.910 28.738 -0.105 0.000 0.980 289 Q HN 0.376 nan 8.270 nan 0.000 0.491 290 S N -0.697 115.024 115.700 0.034 0.000 2.593 290 S HA 0.148 4.627 4.470 0.014 0.000 0.217 290 S C 1.191 175.801 174.600 0.017 0.000 0.966 290 S CA 0.421 58.632 58.200 0.017 0.000 0.914 290 S CB 0.388 63.605 63.200 0.028 0.000 0.776 290 S HN 0.440 nan 8.310 nan 0.000 0.523 291 A N -0.424 122.397 122.820 0.002 0.000 2.115 291 A HA 0.378 4.707 4.320 0.014 0.000 0.211 291 A C 1.273 178.686 177.584 -0.286 0.000 1.169 291 A CA 0.208 52.180 52.037 -0.108 0.000 0.787 291 A CB -0.258 18.630 19.000 -0.187 0.000 0.858 291 A HN 0.487 nan 8.150 nan 0.000 0.474 292 F N -0.219 119.691 119.950 -0.067 0.000 2.698 292 F HA 0.084 4.619 4.527 0.014 0.000 0.295 292 F C 1.543 177.259 175.800 -0.141 0.000 1.124 292 F CA 0.401 58.330 58.000 -0.119 0.000 1.426 292 F CB 0.363 39.245 39.000 -0.198 0.000 1.120 292 F HN 0.136 nan 8.300 nan 0.000 0.583 293 D N 0.044 120.441 120.400 -0.005 0.000 2.363 293 D HA 0.031 4.679 4.640 0.014 0.000 0.220 293 D C 1.777 178.047 176.300 -0.050 0.000 0.994 293 D CA 0.814 54.789 54.000 -0.042 0.000 0.890 293 D CB 0.529 41.296 40.800 -0.055 0.000 0.906 293 D HN 0.293 nan 8.370 nan 0.000 0.530 294 L N -1.004 120.179 121.223 -0.067 0.000 3.701 294 L HA 0.192 4.541 4.340 0.014 0.000 0.182 294 L C 0.845 177.627 176.870 -0.148 0.000 1.227 294 L CA 0.004 54.781 54.840 -0.105 0.000 0.926 294 L CB 0.548 42.534 42.059 -0.121 0.000 1.561 294 L HN -0.255 nan 8.230 nan 0.000 0.672 295 N N -1.783 116.776 118.700 -0.235 0.000 1.926 295 N HA 0.078 4.827 4.740 0.014 0.000 0.221 295 N C 0.665 175.985 175.510 -0.316 0.000 1.410 295 N CA -0.000 52.885 53.050 -0.275 0.000 0.711 295 N CB 0.645 38.956 38.487 -0.293 0.000 1.126 295 N HN 0.002 nan 8.380 nan 0.000 0.546 296 F N 1.387 121.241 119.950 -0.160 0.000 2.407 296 F HA 0.113 4.653 4.527 0.022 0.000 0.299 296 F C 0.908 176.595 175.800 -0.188 0.000 1.097 296 F CA 0.949 58.858 58.000 -0.151 0.000 1.422 296 F CB 0.099 39.015 39.000 -0.140 0.000 1.067 296 F HN -0.168 nan 8.300 nan 0.000 0.539 297 T N -0.106 114.356 114.554 -0.153 0.000 2.807 297 T HA 0.374 4.732 4.350 0.014 0.000 0.279 297 T C -2.694 171.909 174.700 -0.161 0.000 0.993 297 T CA -2.362 59.599 62.100 -0.231 0.000 0.970 297 T CB 1.658 70.166 68.868 -0.600 0.000 0.950 297 T HN -0.298 nan 8.240 nan 0.000 0.441 298 P HA 0.063 nan 4.420 nan 0.000 0.262 298 P C 0.524 177.867 177.300 0.073 0.000 1.182 298 P CA -0.138 62.962 63.100 -0.001 0.000 0.761 298 P CB 0.959 32.668 31.700 0.014 0.000 0.795 299 R N 2.142 122.706 120.500 0.105 0.000 2.193 299 R HA -0.002 4.347 4.340 0.014 0.000 0.213 299 R C 0.369 176.660 176.300 -0.015 0.000 1.055 299 R CA 0.865 57.086 56.100 0.202 0.000 0.995 299 R CB 0.449 30.826 30.300 0.128 0.000 0.893 299 R HN 0.504 nan 8.270 nan 0.000 0.459 300 E N 0.080 120.245 120.200 -0.058 0.000 2.256 300 E HA 0.168 4.526 4.350 0.014 0.000 0.267 300 E C -1.100 175.437 176.600 -0.105 0.000 0.892 300 E CA -0.848 55.475 56.400 -0.128 0.000 0.775 300 E CB 1.307 30.990 29.700 -0.028 0.000 1.207 300 E HN -0.060 nan 8.360 nan 0.000 0.420 301 F N 1.430 121.406 119.950 0.043 0.000 2.484 301 F HA 0.066 4.600 4.527 0.012 0.000 0.360 301 F C 1.542 177.379 175.800 0.062 0.000 1.101 301 F CA 0.163 58.193 58.000 0.049 0.000 1.251 301 F CB 0.394 39.417 39.000 0.039 0.000 1.132 301 F HN 0.317 nan 8.300 nan 0.000 0.570 302 D N -0.283 120.276 120.400 0.265 0.000 2.423 302 D HA 0.059 4.708 4.640 0.014 0.000 0.208 302 D C 0.321 176.709 176.300 0.147 0.000 1.068 302 D CA 0.629 54.727 54.000 0.163 0.000 0.860 302 D CB 0.502 41.367 40.800 0.108 0.000 0.992 302 D HN 0.437 nan 8.370 nan 0.000 0.504 303 S N -1.379 114.431 115.700 0.184 0.000 2.596 303 S HA 0.314 4.792 4.470 0.014 0.000 0.270 303 S C 0.161 174.924 174.600 0.272 0.000 1.155 303 S CA -0.640 57.653 58.200 0.156 0.000 0.827 303 S CB 0.600 63.862 63.200 0.104 0.000 1.130 303 S HN -0.235 nan 8.310 nan 0.000 0.467 304 F N 1.709 121.687 119.950 0.046 0.000 2.186 304 F HA 0.044 4.579 4.527 0.014 0.000 0.299 304 F C 1.955 177.815 175.800 0.101 0.000 1.090 304 F CA 0.905 58.929 58.000 0.040 0.000 1.307 304 F CB -1.189 37.891 39.000 0.133 0.000 1.019 304 F HN 0.607 nan 8.300 nan 0.000 0.489 305 D N 0.204 120.797 120.400 0.322 0.000 2.149 305 D HA -0.221 4.427 4.640 0.014 0.000 0.194 305 D C 2.079 178.470 176.300 0.151 0.000 1.001 305 D CA 1.376 55.518 54.000 0.236 0.000 0.849 305 D CB -0.497 40.391 40.800 0.147 0.000 0.939 305 D HN 0.378 nan 8.370 nan 0.000 0.449 306 E N -0.006 120.257 120.200 0.106 0.000 2.204 306 E HA -0.089 4.269 4.350 0.014 0.000 0.194 306 E C 2.163 178.706 176.600 -0.097 0.000 0.989 306 E CA 0.246 56.690 56.400 0.074 0.000 0.824 306 E CB 0.299 30.107 29.700 0.181 0.000 0.756 306 E HN 0.103 nan 8.360 nan 0.000 0.477 307 V N 0.836 120.547 119.914 -0.339 0.000 2.427 307 V HA -0.221 3.907 4.120 0.014 0.000 0.248 307 V C 2.016 177.779 176.094 -0.553 0.000 1.051 307 V CA 1.545 63.415 62.300 -0.717 0.000 1.048 307 V CB -0.556 30.734 31.823 -0.889 0.000 0.666 307 V HN 0.352 nan 8.190 nan 0.000 0.456 308 H N 0.591 119.567 119.070 -0.156 0.000 2.462 308 H HA -0.012 4.552 4.556 0.013 0.000 0.292 308 H C 2.442 177.719 175.328 -0.085 0.000 1.049 308 H CA 1.301 57.337 56.048 -0.019 0.000 1.334 308 H CB -0.483 29.332 29.762 0.089 0.000 1.404 308 H HN 0.491 nan 8.280 nan 0.000 0.544 309 G N 1.408 110.209 108.800 0.002 0.000 2.475 309 G HA2 -0.231 3.738 3.960 0.014 0.000 0.220 309 G HA3 -0.231 3.738 3.960 0.014 0.000 0.220 309 G C 1.689 176.536 174.900 -0.087 0.000 1.125 309 G CA 0.316 45.414 45.100 -0.004 0.000 0.755 309 G HN 0.203 nan 8.290 nan 0.000 0.565 310 L N -0.212 120.835 121.223 -0.294 0.000 2.137 310 L HA -0.102 4.247 4.340 0.014 0.000 0.213 310 L C 2.245 178.963 176.870 -0.254 0.000 1.085 310 L CA 1.196 55.816 54.840 -0.366 0.000 0.760 310 L CB -0.919 40.656 42.059 -0.807 0.000 0.893 310 L HN 0.477 nan 8.230 nan 0.000 0.434 311 Y N -2.903 117.486 120.300 0.149 0.000 2.458 311 Y HA 0.215 4.772 4.550 0.011 0.000 0.254 311 Y C 2.105 178.072 175.900 0.111 0.000 1.120 311 Y CA 0.198 58.390 58.100 0.153 0.000 1.282 311 Y CB -0.603 37.940 38.460 0.137 0.000 1.109 311 Y HN 0.043 nan 8.280 nan 0.000 0.526 312 S N -0.025 115.778 115.700 0.171 0.000 2.400 312 S HA 0.141 4.620 4.470 0.014 0.000 0.170 312 S C 2.166 176.814 174.600 0.079 0.000 0.917 312 S CA 0.461 58.732 58.200 0.118 0.000 1.028 312 S CB -1.075 62.184 63.200 0.098 0.000 0.810 312 S HN 0.373 nan 8.310 nan 0.000 0.504 313 G N 0.532 109.366 108.800 0.057 0.000 2.623 313 G HA2 0.442 4.410 3.960 0.014 0.000 0.214 313 G HA3 0.442 4.410 3.960 0.014 0.000 0.214 313 G C 0.812 175.731 174.900 0.031 0.000 1.138 313 G CA 0.352 45.475 45.100 0.039 0.000 0.794 313 G HN 1.007 nan 8.290 nan 0.000 0.535 314 G N -0.172 108.650 108.800 0.036 0.000 2.645 314 G HA2 -0.234 3.735 3.960 0.014 0.000 0.239 314 G HA3 -0.234 3.735 3.960 0.014 0.000 0.239 314 G C -0.159 174.766 174.900 0.041 0.000 1.331 314 G CA -0.041 45.084 45.100 0.040 0.000 0.890 314 G HN 0.962 nan 8.290 nan 0.000 0.572 315 I N 0.240 120.838 120.570 0.047 0.000 2.378 315 I HA 0.549 4.728 4.170 0.014 0.000 0.291 315 I C 0.520 176.639 176.117 0.003 0.000 0.992 315 I CA -1.030 60.298 61.300 0.047 0.000 1.154 315 I CB 0.846 38.903 38.000 0.095 0.000 1.315 315 I HN 0.568 nan 8.210 nan 0.000 0.448 316 K N 6.522 126.921 120.400 -0.002 0.000 2.484 316 K HA 0.253 4.581 4.320 0.014 0.000 0.280 316 K C -1.032 175.535 176.600 -0.055 0.000 1.013 316 K CA -0.081 56.191 56.287 -0.026 0.000 1.029 316 K CB 0.511 33.006 32.500 -0.008 0.000 0.902 316 K HN 0.342 nan 8.250 nan 0.000 0.481 317 L N 4.787 125.955 121.223 -0.092 0.000 2.393 317 L HA 0.491 4.839 4.340 0.014 0.000 0.260 317 L C -2.448 174.291 176.870 -0.219 0.000 1.002 317 L CA -2.543 52.213 54.840 -0.139 0.000 0.818 317 L CB 1.917 43.907 42.059 -0.114 0.000 1.369 317 L HN 0.477 nan 8.230 nan 0.000 0.412 318 P HA 0.236 nan 4.420 nan 0.000 0.274 318 P C 0.315 177.462 177.300 -0.255 0.000 1.237 318 P CA -0.188 62.643 63.100 -0.448 0.000 0.793 318 P CB 0.456 31.647 31.700 -0.848 0.000 0.977 319 T N -0.096 114.340 114.554 -0.198 0.000 2.536 319 T HA -0.259 4.100 4.350 0.014 0.000 0.263 319 T C 1.227 175.864 174.700 -0.104 0.000 1.115 319 T CA 1.895 63.922 62.100 -0.122 0.000 1.180 319 T CB -1.189 67.621 68.868 -0.096 0.000 0.864 319 T HN 0.488 nan 8.240 nan 0.000 0.419 320 D N 0.793 121.126 120.400 -0.113 0.000 3.691 320 D HA -0.199 4.449 4.640 0.014 0.000 0.228 320 D C 1.932 178.195 176.300 -0.061 0.000 1.236 320 D CA 1.905 55.854 54.000 -0.084 0.000 0.888 320 D CB -0.479 40.257 40.800 -0.107 0.000 0.969 320 D HN 0.415 nan 8.370 nan 0.000 0.560 321 I N 0.253 120.775 120.570 -0.080 0.000 2.235 321 I HA -0.186 3.993 4.170 0.014 0.000 0.241 321 I C 2.476 178.573 176.117 -0.033 0.000 1.085 321 I CA 0.231 61.504 61.300 -0.045 0.000 1.378 321 I CB -0.044 37.925 38.000 -0.051 0.000 1.076 321 I HN 0.040 nan 8.210 nan 0.000 0.415 322 I N 0.304 120.839 120.570 -0.058 0.000 2.208 322 I HA -0.296 3.882 4.170 0.014 0.000 0.245 322 I C 2.500 178.607 176.117 -0.017 0.000 1.097 322 I CA 1.638 62.911 61.300 -0.045 0.000 1.363 322 I CB -1.023 36.936 38.000 -0.069 0.000 1.051 322 I HN 0.163 nan 8.210 nan 0.000 0.413 323 S N -0.137 115.549 115.700 -0.024 0.000 2.515 323 S HA -0.068 4.410 4.470 0.014 0.000 0.231 323 S C 1.800 176.403 174.600 0.005 0.000 0.987 323 S CA 0.767 58.962 58.200 -0.010 0.000 0.936 323 S CB 0.033 63.221 63.200 -0.019 0.000 0.766 323 S HN 0.421 nan 8.310 nan 0.000 0.528 324 K N 0.682 121.087 120.400 0.009 0.000 2.284 324 K HA 0.228 4.556 4.320 0.014 0.000 0.198 324 K C 1.887 178.515 176.600 0.047 0.000 1.048 324 K CA 0.623 56.924 56.287 0.023 0.000 0.987 324 K CB 0.058 32.570 32.500 0.020 0.000 0.800 324 K HN 0.496 nan 8.250 nan 0.000 0.486 325 I N -1.436 119.169 120.570 0.060 0.000 3.462 325 I HA -0.031 4.148 4.170 0.014 0.000 0.290 325 I C 2.186 178.385 176.117 0.137 0.000 1.236 325 I CA 0.542 61.912 61.300 0.117 0.000 1.418 325 I CB 0.025 38.121 38.000 0.160 0.000 1.102 325 I HN -0.043 nan 8.210 nan 0.000 0.441 326 S N 2.852 118.605 115.700 0.088 0.000 2.356 326 S HA 0.037 4.516 4.470 0.014 0.000 0.223 326 S C -0.434 174.204 174.600 0.064 0.000 1.032 326 S CA 1.027 59.277 58.200 0.083 0.000 1.005 326 S CB -2.061 61.166 63.200 0.046 0.000 0.867 326 S HN 0.438 nan 8.310 nan 0.000 0.449 327 P HA 0.359 nan 4.420 nan 0.000 0.253 327 P C -0.556 176.769 177.300 0.041 0.000 1.459 327 P CA -0.225 62.898 63.100 0.038 0.000 0.908 327 P CB -0.459 31.258 31.700 0.028 0.000 1.470 328 L N -0.054 121.199 121.223 0.049 0.000 2.417 328 L HA 0.239 4.588 4.340 0.014 0.000 0.268 328 L C -0.853 176.050 176.870 0.056 0.000 1.158 328 L CA -1.713 53.160 54.840 0.056 0.000 0.819 328 L CB -1.019 41.071 42.059 0.051 0.000 1.112 328 L HN -0.152 nan 8.230 nan 0.000 0.458 329 P HA -0.319 nan 4.420 nan 0.000 0.240 329 P C 1.422 178.756 177.300 0.056 0.000 0.765 329 P CA 1.317 64.459 63.100 0.070 0.000 1.100 329 P CB -0.090 31.706 31.700 0.160 0.000 0.753 330 V N -2.130 117.841 119.914 0.095 0.000 2.951 330 V HA -0.097 4.031 4.120 0.014 0.000 0.255 330 V C 2.403 178.480 176.094 -0.028 0.000 1.088 330 V CA 1.089 63.428 62.300 0.064 0.000 1.109 330 V CB -0.987 30.921 31.823 0.142 0.000 0.724 330 V HN 0.045 nan 8.190 nan 0.000 0.471 331 L N 0.184 121.355 121.223 -0.088 0.000 2.362 331 L HA -0.096 4.253 4.340 0.014 0.000 0.219 331 L C 2.335 179.097 176.870 -0.180 0.000 1.134 331 L CA 1.501 56.179 54.840 -0.270 0.000 0.807 331 L CB -0.781 41.057 42.059 -0.368 0.000 0.927 331 L HN 0.257 nan 8.230 nan 0.000 0.447 332 K N 0.224 120.591 120.400 -0.055 0.000 2.127 332 K HA -0.302 4.027 4.320 0.014 0.000 0.208 332 K C 2.090 178.684 176.600 -0.011 0.000 1.047 332 K CA 2.038 58.321 56.287 -0.007 0.000 0.927 332 K CB 0.053 32.557 32.500 0.008 0.000 0.716 332 K HN 0.479 nan 8.250 nan 0.000 0.450 333 E N 0.646 120.827 120.200 -0.032 0.000 2.033 333 E HA -0.122 4.236 4.350 0.014 0.000 0.189 333 E C 1.835 178.410 176.600 -0.041 0.000 0.979 333 E CA 1.145 57.530 56.400 -0.025 0.000 0.802 333 E CB -0.123 29.567 29.700 -0.018 0.000 0.763 333 E HN 0.460 nan 8.360 nan 0.000 0.449 334 I N -0.674 119.834 120.570 -0.104 0.000 3.564 334 I HA 0.169 4.347 4.170 0.014 0.000 0.294 334 I C -0.593 175.525 176.117 0.002 0.000 1.289 334 I CA 0.275 61.512 61.300 -0.105 0.000 1.325 334 I CB -0.319 37.584 38.000 -0.161 0.000 1.039 334 I HN -0.110 nan 8.210 nan 0.000 0.474 335 F N 2.955 122.842 119.950 -0.105 0.000 2.495 335 F HA 0.592 5.114 4.527 -0.008 0.000 0.327 335 F C 0.325 176.041 175.800 -0.139 0.000 1.103 335 F CA -1.470 56.425 58.000 -0.174 0.000 0.949 335 F CB 1.509 40.424 39.000 -0.141 0.000 1.142 335 F HN -0.029 nan 8.300 nan 0.000 0.457 336 R N 1.231 121.738 120.500 0.012 0.000 2.407 336 R HA 0.782 5.131 4.340 0.014 0.000 0.303 336 R C -0.957 175.315 176.300 -0.047 0.000 0.981 336 R CA -0.730 55.362 56.100 -0.012 0.000 0.905 336 R CB 1.516 31.803 30.300 -0.021 0.000 1.099 336 R HN 0.513 nan 8.270 nan 0.000 0.459 337 T N 1.192 115.735 114.554 -0.018 0.000 2.881 337 T HA 0.064 4.423 4.350 0.014 0.000 0.290 337 T C -0.051 174.639 174.700 -0.017 0.000 1.000 337 T CA -0.683 61.399 62.100 -0.030 0.000 0.978 337 T CB 2.164 71.026 68.868 -0.010 0.000 0.997 337 T HN 0.571 nan 8.240 nan 0.000 0.443 338 D N 2.716 123.103 120.400 -0.022 0.000 2.128 338 D HA 0.191 4.840 4.640 0.014 0.000 0.213 338 D C 1.533 177.826 176.300 -0.011 0.000 0.983 338 D CA 1.868 55.861 54.000 -0.011 0.000 0.889 338 D CB -0.048 40.747 40.800 -0.009 0.000 1.018 338 D HN 0.661 nan 8.370 nan 0.000 0.448 339 G N -1.133 107.657 108.800 -0.018 0.000 2.825 339 G HA2 0.177 4.145 3.960 0.014 0.000 0.191 339 G HA3 0.177 4.145 3.960 0.014 0.000 0.191 339 G C 0.984 175.867 174.900 -0.028 0.000 1.708 339 G CA 0.265 45.355 45.100 -0.018 0.000 0.813 339 G HN 0.243 nan 8.290 nan 0.000 0.799 340 E N 0.228 120.407 120.200 -0.036 0.000 2.023 340 E HA 0.068 4.426 4.350 0.014 0.000 0.195 340 E C 1.126 177.689 176.600 -0.062 0.000 0.964 340 E CA 0.359 56.728 56.400 -0.052 0.000 0.845 340 E CB 0.043 29.708 29.700 -0.058 0.000 0.813 340 E HN 0.238 nan 8.360 nan 0.000 0.476 341 Q N 0.460 120.224 119.800 -0.059 0.000 2.800 341 Q HA 0.264 4.613 4.340 0.014 0.000 0.261 341 Q C -1.046 174.925 176.000 -0.047 0.000 1.093 341 Q CA 0.114 55.880 55.803 -0.062 0.000 0.943 341 Q CB 0.356 29.064 28.738 -0.051 0.000 1.591 341 Q HN 0.143 nan 8.270 nan 0.000 0.429 342 A N 1.289 124.076 122.820 -0.056 0.000 2.480 342 A HA 0.521 4.850 4.320 0.014 0.000 0.289 342 A C -1.627 175.901 177.584 -0.092 0.000 1.044 342 A CA -0.700 51.305 52.037 -0.054 0.000 0.761 342 A CB 1.222 20.201 19.000 -0.035 0.000 1.289 342 A HN 0.291 nan 8.150 nan 0.000 0.401 343 L N 2.053 123.206 121.223 -0.117 0.000 2.325 343 L HA 0.663 5.011 4.340 0.014 0.000 0.281 343 L C -0.235 176.511 176.870 -0.207 0.000 1.004 343 L CA 0.035 54.730 54.840 -0.241 0.000 0.823 343 L CB 1.205 43.080 42.059 -0.306 0.000 1.236 343 L HN 0.712 nan 8.230 nan 0.000 0.415 344 K N 3.726 123.967 120.400 -0.266 0.000 2.238 344 K HA 0.652 4.980 4.320 0.014 0.000 0.239 344 K C -1.489 174.921 176.600 -0.317 0.000 0.987 344 K CA -0.534 55.676 56.287 -0.128 0.000 0.857 344 K CB 1.702 34.185 32.500 -0.029 0.000 1.154 344 K HN 0.363 nan 8.250 nan 0.000 0.439 345 F N 1.617 121.651 119.950 0.140 0.000 2.551 345 F HA 0.335 4.881 4.527 0.032 0.000 0.316 345 F C -2.052 173.967 175.800 0.365 0.000 1.089 345 F CA -2.302 55.864 58.000 0.277 0.000 0.915 345 F CB 1.765 41.001 39.000 0.393 0.000 1.186 345 F HN 0.306 nan 8.300 nan 0.000 0.456 346 P HA 0.094 nan 4.420 nan 0.000 0.268 346 P C -2.658 174.819 177.300 0.294 0.000 1.204 346 P CA -1.361 61.900 63.100 0.268 0.000 0.768 346 P CB -0.090 31.678 31.700 0.113 0.000 0.842 347 P HA 0.091 nan 4.420 nan 0.000 0.261 347 P C -2.365 174.840 177.300 -0.159 0.000 1.203 347 P CA -1.041 61.944 63.100 -0.190 0.000 0.767 347 P CB -0.965 30.694 31.700 -0.068 0.000 0.785 348 P HA 0.103 nan 4.420 nan 0.000 0.268 348 P C 1.164 178.297 177.300 -0.278 0.000 1.204 348 P CA -0.077 62.837 63.100 -0.310 0.000 0.768 348 P CB 0.718 32.056 31.700 -0.602 0.000 0.842 349 K N 1.819 122.063 120.400 -0.262 0.000 2.160 349 K HA -0.132 4.197 4.320 0.014 0.000 0.206 349 K C 1.661 178.071 176.600 -0.316 0.000 1.047 349 K CA 0.990 57.097 56.287 -0.299 0.000 0.930 349 K CB -0.401 31.840 32.500 -0.432 0.000 0.720 349 K HN 0.148 nan 8.250 nan 0.000 0.450 350 V N 2.032 121.728 119.914 -0.363 0.000 2.568 350 V HA -0.199 3.930 4.120 0.014 0.000 0.253 350 V C 1.668 177.696 176.094 -0.110 0.000 1.072 350 V CA 1.906 64.060 62.300 -0.243 0.000 1.084 350 V CB -0.306 31.392 31.823 -0.209 0.000 0.676 350 V HN 0.389 nan 8.190 nan 0.000 0.469 351 I N -4.074 116.418 120.570 -0.130 0.000 4.025 351 I HA 0.187 4.366 4.170 0.014 0.000 0.336 351 I C 1.725 177.810 176.117 -0.055 0.000 1.390 351 I CA 0.216 61.489 61.300 -0.044 0.000 1.099 351 I CB -0.149 37.847 38.000 -0.008 0.000 1.049 351 I HN 0.184 nan 8.210 nan 0.000 0.394 352 Q N 1.134 120.884 119.800 -0.085 0.000 2.167 352 Q HA -0.049 4.300 4.340 0.014 0.000 0.202 352 Q C 2.189 178.167 176.000 -0.037 0.000 0.970 352 Q CA 1.432 57.197 55.803 -0.063 0.000 0.855 352 Q CB 0.378 29.071 28.738 -0.075 0.000 0.911 352 Q HN 0.554 nan 8.270 nan 0.000 0.438 353 V N -0.823 119.071 119.914 -0.033 0.000 2.581 353 V HA 0.025 4.153 4.120 0.014 0.000 0.240 353 V C 0.729 176.817 176.094 -0.010 0.000 1.054 353 V CA 0.721 63.011 62.300 -0.017 0.000 1.076 353 V CB 1.104 32.920 31.823 -0.012 0.000 0.748 353 V HN 0.060 nan 8.190 nan 0.000 0.474 354 S N -1.016 114.683 115.700 -0.001 0.000 2.672 354 S HA 0.391 4.869 4.470 0.014 0.000 0.291 354 S C 0.256 174.877 174.600 0.035 0.000 1.145 354 S CA -0.690 57.514 58.200 0.007 0.000 1.013 354 S CB 1.775 64.981 63.200 0.010 0.000 1.017 354 S HN 0.227 nan 8.310 nan 0.000 0.487 355 K N 2.068 122.476 120.400 0.013 0.000 2.211 355 K HA -0.013 4.315 4.320 0.014 0.000 0.203 355 K C 1.751 178.456 176.600 0.174 0.000 1.050 355 K CA 1.538 57.849 56.287 0.039 0.000 0.945 355 K CB 0.049 32.458 32.500 -0.150 0.000 0.732 355 K HN 0.667 nan 8.250 nan 0.000 0.451 356 S N -1.335 114.396 115.700 0.051 0.000 2.540 356 S HA 0.262 4.741 4.470 0.014 0.000 0.222 356 S C 1.811 176.273 174.600 -0.231 0.000 1.008 356 S CA 0.037 58.181 58.200 -0.093 0.000 0.939 356 S CB 0.725 63.867 63.200 -0.096 0.000 0.865 356 S HN 0.153 nan 8.310 nan 0.000 0.499 357 A N 2.326 125.113 122.820 -0.056 0.000 2.121 357 A HA 0.046 4.375 4.320 0.014 0.000 0.218 357 A C 1.912 179.490 177.584 -0.009 0.000 1.154 357 A CA 0.993 53.006 52.037 -0.038 0.000 0.679 357 A CB -1.276 17.741 19.000 0.027 0.000 0.795 357 A HN 0.946 nan 8.150 nan 0.000 0.458 358 W N -0.615 120.691 121.300 0.010 0.000 2.392 358 W HA -0.134 4.536 4.660 0.016 0.000 0.279 358 W C 1.309 177.839 176.519 0.018 0.000 1.225 358 W CA 1.136 58.491 57.345 0.018 0.000 1.233 358 W CB -0.932 28.520 29.460 -0.014 0.000 1.122 358 W HN 0.285 nan 8.180 nan 0.000 0.561 359 M N 0.976 120.078 119.600 -0.830 0.000 2.562 359 M HA 0.020 4.509 4.480 0.014 0.000 0.257 359 M C 0.736 176.865 176.300 -0.286 0.000 1.099 359 M CA 0.860 55.681 55.300 -0.800 0.000 1.099 359 M CB -0.596 31.418 32.600 -0.976 0.000 1.427 359 M HN -0.298 nan 8.290 nan 0.000 0.489 360 T N 1.424 115.888 114.554 -0.151 0.000 2.916 360 T HA -0.025 4.334 4.350 0.014 0.000 0.303 360 T C 0.741 175.498 174.700 0.095 0.000 1.025 360 T CA -0.153 61.935 62.100 -0.019 0.000 1.142 360 T CB 0.770 69.633 68.868 -0.008 0.000 0.947 360 T HN 0.175 nan 8.240 nan 0.000 0.544 361 D N 2.896 123.386 120.400 0.149 0.000 2.144 361 D HA -0.073 4.575 4.640 0.014 0.000 0.199 361 D C 1.948 178.409 176.300 0.268 0.000 0.984 361 D CA 1.253 55.414 54.000 0.269 0.000 0.834 361 D CB 0.126 41.102 40.800 0.293 0.000 0.955 361 D HN 0.633 nan 8.370 nan 0.000 0.465 362 E N 0.469 120.770 120.200 0.169 0.000 2.085 362 E HA -0.189 4.169 4.350 0.014 0.000 0.194 362 E C 1.901 178.574 176.600 0.122 0.000 0.994 362 E CA 1.121 57.597 56.400 0.127 0.000 0.801 362 E CB -0.097 29.653 29.700 0.084 0.000 0.743 362 E HN 0.195 nan 8.360 nan 0.000 0.453 363 E N 0.176 120.460 120.200 0.140 0.000 2.072 363 E HA -0.160 4.199 4.350 0.014 0.000 0.191 363 E C 1.661 178.358 176.600 0.160 0.000 0.985 363 E CA 0.765 57.252 56.400 0.145 0.000 0.801 363 E CB -0.354 29.445 29.700 0.165 0.000 0.750 363 E HN 0.293 nan 8.360 nan 0.000 0.452 364 F N 0.842 120.831 119.950 0.065 0.000 2.091 364 F HA -0.205 4.331 4.527 0.014 0.000 0.299 364 F C 2.013 177.828 175.800 0.026 0.000 1.103 364 F CA 2.136 60.166 58.000 0.049 0.000 1.228 364 F CB -0.792 38.237 39.000 0.048 0.000 0.984 364 F HN 0.111 nan 8.300 nan 0.000 0.477 365 A N 0.530 123.327 122.820 -0.038 0.000 1.873 365 A HA -0.167 4.161 4.320 0.014 0.000 0.215 365 A C 2.414 179.896 177.584 -0.169 0.000 1.186 365 A CA 1.515 53.464 52.037 -0.147 0.000 0.616 365 A CB -0.925 18.096 19.000 0.034 0.000 0.823 365 A HN 0.469 nan 8.150 nan 0.000 0.442 366 R N -0.070 120.383 120.500 -0.079 0.000 2.105 366 R HA -0.169 4.180 4.340 0.014 0.000 0.239 366 R C 1.728 177.955 176.300 -0.122 0.000 1.135 366 R CA 1.771 57.824 56.100 -0.078 0.000 0.967 366 R CB -0.234 30.069 30.300 0.005 0.000 0.861 366 R HN 0.675 nan 8.270 nan 0.000 0.442 367 E N -0.353 119.754 120.200 -0.156 0.000 2.418 367 E HA -0.121 4.237 4.350 0.014 0.000 0.197 367 E C 1.667 178.111 176.600 -0.259 0.000 1.026 367 E CA 0.696 56.950 56.400 -0.242 0.000 0.862 367 E CB 0.092 29.628 29.700 -0.274 0.000 0.799 367 E HN 0.437 nan 8.360 nan 0.000 0.518 368 M N -0.205 119.236 119.600 -0.265 0.000 2.492 368 M HA -0.027 4.462 4.480 0.014 0.000 0.262 368 M C 1.554 177.715 176.300 -0.231 0.000 1.090 368 M CA 0.955 56.107 55.300 -0.246 0.000 1.110 368 M CB 0.313 32.746 32.600 -0.278 0.000 1.407 368 M HN 0.112 nan 8.290 nan 0.000 0.470 369 L N -1.695 119.387 121.223 -0.235 0.000 2.642 369 L HA 0.316 4.665 4.340 0.014 0.000 0.233 369 L C 1.596 178.464 176.870 -0.003 0.000 1.077 369 L CA 0.035 54.750 54.840 -0.208 0.000 0.879 369 L CB 0.152 41.995 42.059 -0.361 0.000 1.151 369 L HN 0.138 nan 8.230 nan 0.000 0.495 370 A N -0.369 122.398 122.820 -0.088 0.000 2.674 370 A HA 0.578 4.906 4.320 0.014 0.000 0.274 370 A C 0.747 178.390 177.584 0.098 0.000 1.065 370 A CA 0.296 52.272 52.037 -0.103 0.000 0.978 370 A CB -0.036 18.887 19.000 -0.129 0.000 1.242 370 A HN 0.218 nan 8.150 nan 0.000 0.583 371 G N -1.066 107.644 108.800 -0.150 0.000 2.695 371 G HA2 0.386 4.354 3.960 0.014 0.000 0.213 371 G HA3 0.386 4.354 3.960 0.014 0.000 0.213 371 G C 0.945 175.706 174.900 -0.231 0.000 1.406 371 G CA 0.525 45.287 45.100 -0.564 0.000 1.049 371 G HN 0.371 nan 8.290 nan 0.000 0.573 372 V N -0.081 119.635 119.914 -0.330 0.000 2.809 372 V HA 0.044 4.172 4.120 0.014 0.000 0.256 372 V C 0.691 176.680 176.094 -0.175 0.000 1.080 372 V CA 1.662 63.851 62.300 -0.186 0.000 1.102 372 V CB -0.336 31.284 31.823 -0.340 0.000 0.705 372 V HN 0.524 nan 8.190 nan 0.000 0.475 373 N N 0.217 118.829 118.700 -0.147 0.000 2.791 373 N HA 0.338 5.087 4.740 0.014 0.000 0.265 373 N C -2.462 173.013 175.510 -0.058 0.000 1.580 373 N CA -1.409 51.643 53.050 0.003 0.000 0.809 373 N CB 1.523 40.055 38.487 0.076 0.000 1.178 373 N HN 0.213 nan 8.380 nan 0.000 0.499 374 P HA 0.294 nan 4.420 nan 0.000 0.259 374 P C -0.104 177.122 177.300 -0.123 0.000 1.530 374 P CA 0.129 63.143 63.100 -0.142 0.000 1.022 374 P CB 0.529 32.129 31.700 -0.166 0.000 1.514 375 N N -0.585 118.056 118.700 -0.099 0.000 2.193 375 N HA 0.083 4.831 4.740 0.014 0.000 0.210 375 N C 0.943 176.498 175.510 0.075 0.000 1.215 375 N CA 0.081 53.113 53.050 -0.029 0.000 0.901 375 N CB 0.099 38.575 38.487 -0.017 0.000 1.060 375 N HN 0.009 nan 8.380 nan 0.000 0.508 376 L N 0.744 121.989 121.223 0.036 0.000 2.537 376 L HA 0.467 4.815 4.340 0.014 0.000 0.224 376 L C 0.597 177.450 176.870 -0.028 0.000 1.065 376 L CA 0.108 54.943 54.840 -0.009 0.000 0.860 376 L CB -0.198 41.811 42.059 -0.083 0.000 1.086 376 L HN 0.044 nan 8.230 nan 0.000 0.482 377 I N 1.312 121.867 120.570 -0.025 0.000 2.880 377 I HA -0.062 4.116 4.170 0.014 0.000 0.296 377 I C -0.037 176.114 176.117 0.057 0.000 1.220 377 I CA 0.513 61.800 61.300 -0.022 0.000 1.435 377 I CB 0.119 38.044 38.000 -0.125 0.000 1.339 377 I HN 0.229 nan 8.210 nan 0.000 0.583 378 R N 5.737 126.300 120.500 0.106 0.000 2.807 378 R HA 0.412 4.761 4.340 0.014 0.000 0.276 378 R C -1.335 175.112 176.300 0.245 0.000 0.979 378 R CA -0.848 55.339 56.100 0.144 0.000 0.928 378 R CB 1.696 32.038 30.300 0.070 0.000 1.191 378 R HN 0.637 nan 8.270 nan 0.000 0.471 379 C N 3.365 122.786 119.300 0.201 0.000 2.499 379 C HA 0.255 4.723 4.460 0.014 0.000 0.386 379 C C 0.247 175.194 174.990 -0.072 0.000 1.293 379 C CA -0.515 58.492 59.018 -0.019 0.000 1.884 379 C CB -0.538 27.191 27.740 -0.019 0.000 2.509 379 C HN 0.555 nan 8.230 nan 0.000 0.566 380 L N 7.458 128.596 121.223 -0.143 0.000 2.477 380 L HA 0.211 4.560 4.340 0.014 0.000 0.272 380 L C 1.137 177.977 176.870 -0.050 0.000 1.157 380 L CA 0.950 55.760 54.840 -0.050 0.000 0.889 380 L CB 0.332 42.385 42.059 -0.011 0.000 1.158 380 L HN 0.696 nan 8.230 nan 0.000 0.473 381 K N 1.914 122.308 120.400 -0.009 0.000 2.262 381 K HA 0.205 4.533 4.320 0.014 0.000 0.200 381 K C -0.132 176.479 176.600 0.019 0.000 1.058 381 K CA 0.477 56.760 56.287 -0.008 0.000 0.974 381 K CB 0.194 32.690 32.500 -0.006 0.000 0.910 381 K HN 0.748 nan 8.250 nan 0.000 0.484 382 D N -1.184 119.242 120.400 0.043 0.000 2.552 382 D HA 0.398 5.047 4.640 0.014 0.000 0.239 382 D C -1.147 175.242 176.300 0.149 0.000 1.139 382 D CA -0.667 53.380 54.000 0.079 0.000 0.914 382 D CB 0.984 41.810 40.800 0.042 0.000 1.461 382 D HN -0.142 nan 8.370 nan 0.000 0.462 383 F N -0.014 119.927 119.950 -0.015 0.000 2.565 383 F HA 0.608 5.143 4.527 0.014 0.000 0.313 383 F C -2.464 173.334 175.800 -0.003 0.000 1.091 383 F CA -1.828 56.168 58.000 -0.007 0.000 0.915 383 F CB 1.655 40.652 39.000 -0.006 0.000 1.208 383 F HN 0.172 nan 8.300 nan 0.000 0.453 384 P HA 0.355 nan 4.420 nan 0.000 0.274 384 P C -2.791 174.262 177.300 -0.412 0.000 1.237 384 P CA -1.300 61.209 63.100 -0.985 0.000 0.793 384 P CB -0.010 31.275 31.700 -0.691 0.000 0.977 385 P HA 0.160 nan 4.420 nan 0.000 0.268 385 P C -0.376 176.844 177.300 -0.133 0.000 1.204 385 P CA 0.210 63.226 63.100 -0.141 0.000 0.768 385 P CB 0.544 32.193 31.700 -0.085 0.000 0.842 386 R N 0.983 121.425 120.500 -0.097 0.000 2.674 386 R HA 0.670 5.019 4.340 0.014 0.000 0.266 386 R C 0.311 176.544 176.300 -0.111 0.000 1.016 386 R CA -0.796 55.245 56.100 -0.099 0.000 1.062 386 R CB 1.147 31.404 30.300 -0.072 0.000 1.142 386 R HN 0.400 nan 8.270 nan 0.000 0.517 387 S N -0.146 115.467 115.700 -0.144 0.000 2.638 387 S HA 0.257 4.735 4.470 0.014 0.000 0.298 387 S C 0.118 174.652 174.600 -0.110 0.000 1.111 387 S CA -0.747 57.362 58.200 -0.152 0.000 1.027 387 S CB 1.192 64.226 63.200 -0.276 0.000 1.064 387 S HN 0.598 nan 8.310 nan 0.000 0.525 388 K N 2.206 122.564 120.400 -0.070 0.000 2.440 388 K HA 0.332 4.661 4.320 0.014 0.000 0.206 388 K C -0.303 176.271 176.600 -0.043 0.000 1.025 388 K CA -0.093 56.170 56.287 -0.040 0.000 1.135 388 K CB 0.008 32.505 32.500 -0.005 0.000 0.856 388 K HN 0.580 nan 8.250 nan 0.000 0.502 389 L N 0.333 121.499 121.223 -0.096 0.000 2.456 389 L HA 0.134 4.483 4.340 0.014 0.000 0.257 389 L C 1.161 177.974 176.870 -0.095 0.000 1.162 389 L CA -0.251 54.529 54.840 -0.100 0.000 0.808 389 L CB 0.435 42.384 42.059 -0.184 0.000 1.136 389 L HN 0.087 nan 8.230 nan 0.000 0.466 390 D N -0.198 120.173 120.400 -0.049 0.000 2.261 390 D HA -0.060 4.589 4.640 0.014 0.000 0.289 390 D C 1.171 177.468 176.300 -0.006 0.000 1.162 390 D CA 0.367 54.355 54.000 -0.020 0.000 1.089 390 D CB 0.701 41.500 40.800 -0.001 0.000 1.162 390 D HN 0.491 nan 8.370 nan 0.000 0.521 391 S N -0.390 115.319 115.700 0.015 0.000 2.653 391 S HA -0.090 4.389 4.470 0.014 0.000 0.233 391 S C 0.914 175.549 174.600 0.059 0.000 0.970 391 S CA 0.348 58.566 58.200 0.030 0.000 0.947 391 S CB -0.367 62.847 63.200 0.023 0.000 0.771 391 S HN 0.299 nan 8.310 nan 0.000 0.538 392 Q N 0.416 120.268 119.800 0.086 0.000 2.837 392 Q HA 0.160 4.508 4.340 0.014 0.000 0.187 392 Q C 1.733 177.844 176.000 0.185 0.000 1.175 392 Q CA 0.500 56.410 55.803 0.178 0.000 1.271 392 Q CB -0.078 28.862 28.738 0.337 0.000 1.349 392 Q HN 0.367 nan 8.270 nan 0.000 0.694 393 V N -3.518 116.583 119.914 0.312 0.000 3.090 393 V HA -0.027 4.102 4.120 0.014 0.000 0.237 393 V C 1.880 178.146 176.094 0.287 0.000 1.209 393 V CA 0.604 63.054 62.300 0.250 0.000 1.209 393 V CB -1.239 30.718 31.823 0.223 0.000 0.971 393 V HN 0.811 nan 8.190 nan 0.000 0.477 394 Y N 1.702 122.033 120.300 0.051 0.000 2.874 394 Y HA 0.405 4.963 4.550 0.014 0.000 0.311 394 Y C 1.673 177.592 175.900 0.031 0.000 1.174 394 Y CA 0.581 58.697 58.100 0.027 0.000 1.414 394 Y CB -0.920 37.542 38.460 0.004 0.000 0.987 394 Y HN 0.287 nan 8.280 nan 0.000 0.547 395 G N -0.258 108.422 108.800 -0.200 0.000 2.707 395 G HA2 -0.019 3.950 3.960 0.014 0.000 0.198 395 G HA3 -0.019 3.950 3.960 0.014 0.000 0.198 395 G C 0.812 175.653 174.900 -0.098 0.000 1.065 395 G CA 0.185 45.122 45.100 -0.272 0.000 0.763 395 G HN 0.356 nan 8.290 nan 0.000 0.625 396 D N -0.605 119.783 120.400 -0.020 0.000 2.379 396 D HA 0.188 4.836 4.640 0.014 0.000 0.208 396 D C 0.759 177.075 176.300 0.028 0.000 1.065 396 D CA 0.053 54.054 54.000 0.002 0.000 0.848 396 D CB 0.750 41.559 40.800 0.015 0.000 0.949 396 D HN 0.378 nan 8.370 nan 0.000 0.509 397 H N 0.183 119.241 119.070 -0.020 0.000 3.542 397 H HA 0.430 4.994 4.556 0.014 0.000 0.159 397 H C 0.447 175.748 175.328 -0.045 0.000 1.583 397 H CA 0.415 56.459 56.048 -0.006 0.000 1.628 397 H CB 1.005 30.796 29.762 0.048 0.000 0.792 397 H HN -0.071 nan 8.280 nan 0.000 0.810 398 T N -2.290 112.398 114.554 0.223 0.000 2.653 398 T HA 0.191 4.550 4.350 0.014 0.000 0.306 398 T C -0.514 174.181 174.700 -0.009 0.000 1.426 398 T CA -0.795 61.320 62.100 0.025 0.000 1.008 398 T CB 0.567 69.412 68.868 -0.039 0.000 1.692 398 T HN 0.480 nan 8.240 nan 0.000 0.483 399 S N -0.269 115.373 115.700 -0.096 0.000 2.568 399 S HA 0.077 4.555 4.470 0.014 0.000 0.282 399 S C 0.671 175.243 174.600 -0.048 0.000 1.338 399 S CA -0.156 57.992 58.200 -0.086 0.000 1.045 399 S CB 0.115 63.238 63.200 -0.129 0.000 0.873 399 S HN 0.622 nan 8.310 nan 0.000 0.516 400 Q N 2.548 122.345 119.800 -0.005 0.000 2.246 400 Q HA 0.271 4.620 4.340 0.014 0.000 0.202 400 Q C -0.338 175.714 176.000 0.086 0.000 0.883 400 Q CA -0.006 55.817 55.803 0.034 0.000 0.952 400 Q CB 0.087 28.844 28.738 0.032 0.000 1.078 400 Q HN 0.674 nan 8.270 nan 0.000 0.493 401 I N 0.890 121.497 120.570 0.062 0.000 2.496 401 I HA 0.046 4.225 4.170 0.014 0.000 0.285 401 I C 0.569 176.838 176.117 0.254 0.000 1.080 401 I CA 0.270 61.686 61.300 0.194 0.000 1.404 401 I CB 1.128 39.206 38.000 0.130 0.000 1.403 401 I HN -0.108 nan 8.210 nan 0.000 0.539 402 T N 4.428 119.258 114.554 0.460 0.000 2.949 402 T HA 0.279 4.637 4.350 0.014 0.000 0.287 402 T C 1.010 175.920 174.700 0.350 0.000 1.034 402 T CA -0.637 61.642 62.100 0.298 0.000 1.018 402 T CB 1.540 70.418 68.868 0.017 0.000 1.135 402 T HN 0.580 nan 8.240 nan 0.000 0.532 403 K N 0.421 120.968 120.400 0.244 0.000 2.097 403 K HA -0.052 4.276 4.320 0.014 0.000 0.205 403 K C 1.885 178.475 176.600 -0.016 0.000 1.050 403 K CA 1.174 57.489 56.287 0.046 0.000 0.938 403 K CB 0.126 32.624 32.500 -0.003 0.000 0.718 403 K HN 0.601 nan 8.250 nan 0.000 0.442 404 E N -0.083 120.094 120.200 -0.038 0.000 2.427 404 E HA -0.152 4.207 4.350 0.014 0.000 0.196 404 E C 1.221 177.790 176.600 -0.051 0.000 1.028 404 E CA 1.031 57.386 56.400 -0.074 0.000 0.864 404 E CB -0.440 29.199 29.700 -0.101 0.000 0.813 404 E HN 0.543 nan 8.360 nan 0.000 0.514 405 H N 0.426 119.504 119.070 0.012 0.000 2.495 405 H HA 0.159 4.723 4.556 0.014 0.000 0.287 405 H C 1.506 176.825 175.328 -0.015 0.000 1.033 405 H CA 0.650 56.705 56.048 0.011 0.000 1.307 405 H CB 0.295 30.089 29.762 0.053 0.000 1.401 405 H HN 0.050 nan 8.280 nan 0.000 0.555 406 L N 0.591 121.861 121.223 0.078 0.000 2.728 406 L HA 0.161 4.510 4.340 0.014 0.000 0.238 406 L C -0.318 176.482 176.870 -0.117 0.000 1.143 406 L CA 0.147 54.973 54.840 -0.024 0.000 0.937 406 L CB 0.404 42.425 42.059 -0.062 0.000 1.225 406 L HN 0.188 nan 8.230 nan 0.000 0.507 407 E N 1.391 121.535 120.200 -0.094 0.000 2.121 407 E HA 0.287 4.646 4.350 0.014 0.000 0.255 407 E C -1.832 174.709 176.600 -0.099 0.000 0.906 407 E CA -1.134 55.191 56.400 -0.124 0.000 0.745 407 E CB 1.432 31.066 29.700 -0.110 0.000 1.155 407 E HN 0.140 nan 8.360 nan 0.000 0.424 408 P HA 0.234 nan 4.420 nan 0.000 0.170 408 P C 0.505 177.765 177.300 -0.066 0.000 0.843 408 P CA 0.119 63.167 63.100 -0.087 0.000 0.929 408 P CB 0.576 32.219 31.700 -0.096 0.000 0.778 409 N N -1.780 116.884 118.700 -0.059 0.000 3.013 409 N HA 0.091 4.839 4.740 0.014 0.000 0.250 409 N C 1.532 177.044 175.510 0.003 0.000 0.997 409 N CA 0.000 53.035 53.050 -0.025 0.000 1.052 409 N CB -0.477 37.999 38.487 -0.018 0.000 1.663 409 N HN -0.105 nan 8.380 nan 0.000 0.641 410 L N 0.979 122.225 121.223 0.037 0.000 1.943 410 L HA -0.041 4.307 4.340 0.014 0.000 0.215 410 L C 1.324 178.262 176.870 0.113 0.000 1.074 410 L CA 2.112 57.016 54.840 0.106 0.000 0.759 410 L CB -0.379 41.817 42.059 0.229 0.000 0.888 410 L HN 0.364 nan 8.230 nan 0.000 0.433 411 E N -1.513 118.767 120.200 0.133 0.000 2.399 411 E HA 0.107 4.465 4.350 0.014 0.000 0.205 411 E C 0.947 177.578 176.600 0.051 0.000 0.906 411 E CA 0.770 57.258 56.400 0.147 0.000 0.998 411 E CB 0.714 30.635 29.700 0.368 0.000 1.002 411 E HN 0.609 nan 8.360 nan 0.000 0.501 412 G N 2.121 110.904 108.800 -0.028 0.000 2.272 412 G HA2 -0.254 3.715 3.960 0.014 0.000 0.280 412 G HA3 -0.254 3.715 3.960 0.014 0.000 0.280 412 G C -0.109 174.767 174.900 -0.039 0.000 1.067 412 G CA 0.676 45.750 45.100 -0.043 0.000 0.902 412 G HN 0.063 nan 8.290 nan 0.000 0.500 413 L N 0.262 121.452 121.223 -0.056 0.000 2.365 413 L HA 0.787 5.136 4.340 0.014 0.000 0.267 413 L C 1.377 178.197 176.870 -0.084 0.000 1.033 413 L CA -0.129 54.686 54.840 -0.042 0.000 0.802 413 L CB 1.062 43.122 42.059 0.002 0.000 1.267 413 L HN 0.355 nan 8.230 nan 0.000 0.457 414 T N -2.593 111.918 114.554 -0.072 0.000 2.828 414 T HA 0.262 4.621 4.350 0.014 0.000 0.290 414 T C 1.236 175.856 174.700 -0.133 0.000 1.019 414 T CA -0.753 61.289 62.100 -0.098 0.000 1.031 414 T CB 0.873 69.696 68.868 -0.075 0.000 1.001 414 T HN 0.225 nan 8.240 nan 0.000 0.531 415 V N 0.973 120.773 119.914 -0.190 0.000 2.332 415 V HA -0.158 3.970 4.120 0.014 0.000 0.248 415 V C 2.600 178.566 176.094 -0.213 0.000 1.055 415 V CA 2.408 64.536 62.300 -0.287 0.000 1.038 415 V CB -0.975 30.547 31.823 -0.503 0.000 0.651 415 V HN 1.065 nan 8.190 nan 0.000 0.450 416 D N -0.189 120.123 120.400 -0.146 0.000 2.144 416 D HA -0.211 4.437 4.640 0.014 0.000 0.199 416 D C 2.183 178.447 176.300 -0.060 0.000 0.984 416 D CA 1.581 55.530 54.000 -0.085 0.000 0.834 416 D CB -0.054 40.713 40.800 -0.054 0.000 0.955 416 D HN 0.535 nan 8.370 nan 0.000 0.465 417 E N -0.747 119.421 120.200 -0.053 0.000 2.077 417 E HA -0.133 4.225 4.350 0.014 0.000 0.193 417 E C 1.987 178.581 176.600 -0.010 0.000 0.989 417 E CA 1.018 57.403 56.400 -0.026 0.000 0.800 417 E CB -0.139 29.550 29.700 -0.018 0.000 0.746 417 E HN 0.342 nan 8.360 nan 0.000 0.452 418 A N 0.421 123.232 122.820 -0.014 0.000 1.930 418 A HA -0.129 4.199 4.320 0.014 0.000 0.217 418 A C 2.078 179.650 177.584 -0.020 0.000 1.175 418 A CA 0.911 52.970 52.037 0.037 0.000 0.627 418 A CB -0.420 18.617 19.000 0.062 0.000 0.815 418 A HN 0.243 nan 8.150 nan 0.000 0.443 419 I N -0.773 119.761 120.570 -0.061 0.000 2.202 419 I HA -0.282 3.897 4.170 0.014 0.000 0.242 419 I C 2.775 178.857 176.117 -0.057 0.000 1.091 419 I CA 1.646 62.902 61.300 -0.073 0.000 1.368 419 I CB -0.241 37.723 38.000 -0.060 0.000 1.058 419 I HN 0.482 nan 8.210 nan 0.000 0.410 420 Q N 0.869 120.647 119.800 -0.037 0.000 2.096 420 Q HA -0.229 4.120 4.340 0.014 0.000 0.204 420 Q C 1.226 177.215 176.000 -0.019 0.000 0.982 420 Q CA 1.622 57.411 55.803 -0.024 0.000 0.850 420 Q CB 0.024 28.752 28.738 -0.017 0.000 0.901 420 Q HN 0.467 nan 8.270 nan 0.000 0.422 421 N N 0.946 119.638 118.700 -0.013 0.000 2.449 421 N HA 0.004 4.753 4.740 0.014 0.000 0.191 421 N C -0.691 174.810 175.510 -0.015 0.000 1.161 421 N CA 0.344 53.392 53.050 -0.003 0.000 0.863 421 N CB 0.263 38.759 38.487 0.016 0.000 0.980 421 N HN 0.197 nan 8.380 nan 0.000 0.458 422 K N 0.156 120.523 120.400 -0.055 0.000 3.278 422 K HA -0.232 4.097 4.320 0.014 0.000 0.270 422 K C 0.275 176.777 176.600 -0.164 0.000 0.955 422 K CA 0.359 56.571 56.287 -0.126 0.000 0.723 422 K CB -1.160 31.309 32.500 -0.052 0.000 1.382 422 K HN 0.360 nan 8.250 nan 0.000 0.461 423 R N -0.038 120.373 120.500 -0.149 0.000 2.437 423 R HA 0.237 4.586 4.340 0.014 0.000 0.257 423 R C 0.353 176.594 176.300 -0.098 0.000 0.927 423 R CA -0.117 55.953 56.100 -0.050 0.000 1.078 423 R CB 0.451 30.766 30.300 0.026 0.000 1.161 423 R HN 0.137 nan 8.270 nan 0.000 0.529 424 L N 1.060 122.085 121.223 -0.330 0.000 2.309 424 L HA 0.481 4.829 4.340 0.014 0.000 0.282 424 L C -0.782 175.693 176.870 -0.658 0.000 1.036 424 L CA -0.539 54.161 54.840 -0.232 0.000 0.806 424 L CB 1.018 43.047 42.059 -0.050 0.000 1.220 424 L HN -0.162 nan 8.230 nan 0.000 0.429 425 F N 2.870 122.875 119.950 0.092 0.000 2.599 425 F HA 0.654 5.190 4.527 0.015 0.000 0.311 425 F C -0.565 175.275 175.800 0.066 0.000 1.076 425 F CA -0.795 57.235 58.000 0.051 0.000 0.937 425 F CB 2.054 41.055 39.000 0.003 0.000 1.282 425 F HN 0.145 nan 8.300 nan 0.000 0.460 426 L N 2.963 124.315 121.223 0.215 0.000 2.408 426 L HA 0.631 4.980 4.340 0.014 0.000 0.268 426 L C -2.000 174.916 176.870 0.077 0.000 0.986 426 L CA -0.514 54.407 54.840 0.134 0.000 0.820 426 L CB 2.008 44.122 42.059 0.092 0.000 1.303 426 L HN 0.641 nan 8.230 nan 0.000 0.411 427 L N 4.428 125.684 121.223 0.056 0.000 2.301 427 L HA 0.444 4.793 4.340 0.014 0.000 0.278 427 L C -1.355 175.487 176.870 -0.046 0.000 1.022 427 L CA -0.314 54.510 54.840 -0.026 0.000 0.854 427 L CB 1.167 43.235 42.059 0.015 0.000 1.226 427 L HN 0.719 nan 8.230 nan 0.000 0.429 428 D N 3.229 123.539 120.400 -0.151 0.000 2.427 428 D HA 0.207 4.855 4.640 0.014 0.000 0.226 428 D C 0.165 176.339 176.300 -0.210 0.000 1.076 428 D CA -0.089 53.863 54.000 -0.080 0.000 0.849 428 D CB 0.621 41.398 40.800 -0.038 0.000 1.052 428 D HN 0.415 nan 8.370 nan 0.000 0.515 429 H N 2.415 121.552 119.070 0.111 0.000 2.469 429 H HA 0.070 4.635 4.556 0.014 0.000 0.286 429 H C 0.531 175.972 175.328 0.188 0.000 1.106 429 H CA -0.011 56.112 56.048 0.125 0.000 1.055 429 H CB 0.354 30.206 29.762 0.149 0.000 1.618 429 H HN 0.624 nan 8.280 nan 0.000 0.559 430 H N 0.568 119.745 119.070 0.179 0.000 2.329 430 H HA -0.063 4.502 4.556 0.014 0.000 0.306 430 H C 1.320 176.752 175.328 0.173 0.000 1.062 430 H CA 1.477 57.632 56.048 0.179 0.000 1.364 430 H CB 0.725 30.570 29.762 0.138 0.000 1.409 430 H HN 0.133 nan 8.280 nan 0.000 0.519 431 D N 0.240 120.824 120.400 0.306 0.000 2.097 431 D HA -0.096 4.552 4.640 0.014 0.000 0.197 431 D C -0.549 175.849 176.300 0.162 0.000 0.984 431 D CA 1.129 55.264 54.000 0.225 0.000 0.826 431 D CB -1.535 39.362 40.800 0.161 0.000 0.973 431 D HN 0.443 nan 8.370 nan 0.000 0.460 432 P HA -0.039 nan 4.420 nan 0.000 0.217 432 P C 1.792 179.062 177.300 -0.051 0.000 1.150 432 P CA 0.628 63.789 63.100 0.101 0.000 0.832 432 P CB 0.146 31.991 31.700 0.242 0.000 0.787 433 I N -2.308 118.261 120.570 -0.002 0.000 2.852 433 I HA -0.091 4.088 4.170 0.014 0.000 0.264 433 I C 1.991 178.112 176.117 0.008 0.000 1.179 433 I CA 0.600 61.856 61.300 -0.073 0.000 1.480 433 I CB -0.067 37.987 38.000 0.090 0.000 1.111 433 I HN -0.156 nan 8.210 nan 0.000 0.441 434 M N 2.118 121.731 119.600 0.023 0.000 2.108 434 M HA -0.094 4.395 4.480 0.014 0.000 0.261 434 M C -0.995 175.322 176.300 0.028 0.000 1.066 434 M CA 2.210 57.520 55.300 0.017 0.000 1.107 434 M CB -1.528 31.118 32.600 0.076 0.000 1.356 434 M HN 0.017 nan 8.290 nan 0.000 0.406 435 P HA -0.040 nan 4.420 nan 0.000 0.233 435 P C 0.419 177.568 177.300 -0.252 0.000 1.167 435 P CA 1.179 64.238 63.100 -0.069 0.000 0.770 435 P CB -0.152 31.507 31.700 -0.068 0.000 0.837 436 Y N -2.195 118.014 120.300 -0.152 0.000 2.444 436 Y HA 0.145 4.703 4.550 0.015 0.000 0.249 436 Y C 1.877 177.673 175.900 -0.174 0.000 1.134 436 Y CA -0.285 57.670 58.100 -0.242 0.000 1.261 436 Y CB -0.316 37.950 38.460 -0.323 0.000 1.143 436 Y HN -0.202 nan 8.280 nan 0.000 0.523 437 L N 1.495 122.718 121.223 0.001 0.000 2.043 437 L HA -0.267 4.081 4.340 0.014 0.000 0.212 437 L C 2.602 179.452 176.870 -0.033 0.000 1.075 437 L CA 1.934 56.766 54.840 -0.012 0.000 0.752 437 L CB -0.627 41.396 42.059 -0.060 0.000 0.891 437 L HN 0.273 nan 8.230 nan 0.000 0.432 438 R N -1.091 119.356 120.500 -0.088 0.000 2.092 438 R HA -0.149 4.199 4.340 0.014 0.000 0.231 438 R C 2.238 178.549 176.300 0.018 0.000 1.119 438 R CA 1.411 57.474 56.100 -0.062 0.000 0.970 438 R CB -0.661 29.627 30.300 -0.021 0.000 0.864 438 R HN 0.306 nan 8.270 nan 0.000 0.440 439 R N 0.608 121.108 120.500 -0.000 0.000 2.073 439 R HA 0.114 4.462 4.340 0.014 0.000 0.229 439 R C 2.427 178.836 176.300 0.181 0.000 1.120 439 R CA 1.245 57.382 56.100 0.062 0.000 0.967 439 R CB -0.283 29.966 30.300 -0.083 0.000 0.862 439 R HN 0.210 nan 8.270 nan 0.000 0.436 440 I N 1.146 121.822 120.570 0.176 0.000 2.226 440 I HA -0.292 3.887 4.170 0.014 0.000 0.245 440 I C 1.158 177.349 176.117 0.123 0.000 1.100 440 I CA 1.491 62.924 61.300 0.220 0.000 1.374 440 I CB -0.254 37.874 38.000 0.214 0.000 1.057 440 I HN 0.264 nan 8.210 nan 0.000 0.413 441 N N 0.352 119.100 118.700 0.080 0.000 2.461 441 N HA 0.053 4.801 4.740 0.014 0.000 0.188 441 N C 1.349 176.882 175.510 0.038 0.000 1.134 441 N CA 0.395 53.470 53.050 0.042 0.000 0.878 441 N CB 0.159 38.701 38.487 0.091 0.000 0.972 441 N HN 0.276 nan 8.380 nan 0.000 0.456 442 A N 0.423 123.281 122.820 0.064 0.000 2.275 442 A HA 0.066 4.394 4.320 0.014 0.000 0.212 442 A C 1.358 178.968 177.584 0.043 0.000 1.201 442 A CA 0.074 52.145 52.037 0.057 0.000 0.843 442 A CB -0.199 18.846 19.000 0.075 0.000 0.873 442 A HN 0.237 nan 8.150 nan 0.000 0.492 443 T N -2.664 111.916 114.554 0.043 0.000 2.924 443 T HA 0.294 4.652 4.350 0.014 0.000 0.301 443 T C 1.409 176.099 174.700 -0.017 0.000 1.120 443 T CA 0.298 62.410 62.100 0.019 0.000 0.940 443 T CB 0.229 69.116 68.868 0.031 0.000 1.591 443 T HN 0.244 nan 8.240 nan 0.000 0.578 444 S N -0.429 115.255 115.700 -0.027 0.000 2.447 444 S HA 0.029 4.508 4.470 0.014 0.000 0.233 444 S C 0.988 175.547 174.600 -0.069 0.000 1.006 444 S CA 0.174 58.344 58.200 -0.050 0.000 0.957 444 S CB -0.823 62.349 63.200 -0.046 0.000 0.773 444 S HN 0.746 nan 8.310 nan 0.000 0.507 445 T N 3.726 118.253 114.554 -0.045 0.000 2.901 445 T HA 0.255 4.613 4.350 0.014 0.000 0.301 445 T C -0.088 174.545 174.700 -0.111 0.000 1.012 445 T CA 0.038 62.111 62.100 -0.045 0.000 1.135 445 T CB 0.365 69.245 68.868 0.021 0.000 0.936 445 T HN 0.116 nan 8.240 nan 0.000 0.539 446 K N 2.131 122.433 120.400 -0.164 0.000 2.545 446 K HA 0.696 5.024 4.320 0.014 0.000 0.252 446 K C -0.719 175.812 176.600 -0.115 0.000 0.948 446 K CA -0.573 55.511 56.287 -0.338 0.000 0.827 446 K CB 2.222 34.190 32.500 -0.885 0.000 1.128 446 K HN 0.658 nan 8.250 nan 0.000 0.429 447 A N 2.958 125.747 122.820 -0.051 0.000 2.430 447 A HA 0.867 5.196 4.320 0.014 0.000 0.300 447 A C -1.574 175.921 177.584 -0.148 0.000 1.124 447 A CA -0.619 51.443 52.037 0.041 0.000 0.766 447 A CB 1.096 20.174 19.000 0.131 0.000 1.328 447 A HN 0.544 nan 8.150 nan 0.000 0.424 448 Y N -0.740 119.600 120.300 0.066 0.000 2.602 448 Y HA 0.634 5.192 4.550 0.014 0.000 0.342 448 Y C 0.578 176.504 175.900 0.044 0.000 1.029 448 Y CA -0.415 57.684 58.100 -0.001 0.000 1.080 448 Y CB 2.114 40.513 38.460 -0.101 0.000 1.284 448 Y HN 0.860 nan 8.280 nan 0.000 0.485 449 A N 1.260 124.172 122.820 0.153 0.000 2.320 449 A HA 0.604 4.933 4.320 0.014 0.000 0.287 449 A C -0.093 177.581 177.584 0.149 0.000 1.181 449 A CA -0.215 51.861 52.037 0.064 0.000 0.831 449 A CB -0.313 18.519 19.000 -0.280 0.000 1.102 449 A HN 0.695 nan 8.150 nan 0.000 0.513 450 T N 0.738 115.431 114.554 0.232 0.000 2.908 450 T HA 0.778 5.137 4.350 0.014 0.000 0.290 450 T C -0.403 174.467 174.700 0.282 0.000 1.034 450 T CA -0.876 61.373 62.100 0.249 0.000 1.010 450 T CB 1.379 70.393 68.868 0.243 0.000 1.068 450 T HN 0.675 nan 8.240 nan 0.000 0.481 451 R N 0.926 121.568 120.500 0.237 0.000 2.628 451 R HA 0.657 5.005 4.340 0.014 0.000 0.288 451 R C -1.002 175.416 176.300 0.197 0.000 0.980 451 R CA -0.832 55.387 56.100 0.199 0.000 0.891 451 R CB 2.508 32.903 30.300 0.158 0.000 1.188 451 R HN 0.747 nan 8.270 nan 0.000 0.450 452 T N 3.097 117.771 114.554 0.200 0.000 2.824 452 T HA 0.479 4.837 4.350 0.014 0.000 0.282 452 T C -0.223 174.607 174.700 0.216 0.000 0.993 452 T CA -0.541 61.701 62.100 0.237 0.000 0.967 452 T CB 1.330 70.366 68.868 0.281 0.000 0.960 452 T HN 0.289 nan 8.240 nan 0.000 0.441 453 I N 3.487 124.201 120.570 0.240 0.000 2.377 453 I HA 0.467 4.645 4.170 0.014 0.000 0.293 453 I C -0.827 175.451 176.117 0.269 0.000 0.987 453 I CA -0.528 60.915 61.300 0.238 0.000 1.185 453 I CB 1.128 39.271 38.000 0.238 0.000 1.341 453 I HN 0.398 nan 8.210 nan 0.000 0.455 454 L N 6.363 127.756 121.223 0.283 0.000 2.354 454 L HA 0.553 4.902 4.340 0.014 0.000 0.269 454 L C -0.929 176.185 176.870 0.407 0.000 1.005 454 L CA -0.531 54.496 54.840 0.312 0.000 0.819 454 L CB 1.652 43.851 42.059 0.233 0.000 1.311 454 L HN 0.332 nan 8.230 nan 0.000 0.423 455 F N 2.357 122.423 119.950 0.192 0.000 2.482 455 F HA 0.589 5.124 4.527 0.014 0.000 0.331 455 F C -0.774 175.131 175.800 0.175 0.000 1.115 455 F CA -1.158 56.945 58.000 0.172 0.000 0.955 455 F CB 1.565 40.625 39.000 0.099 0.000 1.136 455 F HN 0.276 nan 8.300 nan 0.000 0.452 456 L N 7.211 128.266 121.223 -0.279 0.000 2.315 456 L HA 0.311 4.659 4.340 0.014 0.000 0.283 456 L C -0.151 176.248 176.870 -0.786 0.000 1.089 456 L CA 0.206 54.833 54.840 -0.355 0.000 0.833 456 L CB -0.100 41.908 42.059 -0.085 0.000 1.170 456 L HN 0.615 nan 8.230 nan 0.000 0.442 457 K N 3.421 123.561 120.400 -0.433 0.000 2.118 457 K HA 0.137 4.466 4.320 0.014 0.000 0.240 457 K C 0.891 177.372 176.600 -0.197 0.000 1.035 457 K CA -0.148 55.953 56.287 -0.309 0.000 0.899 457 K CB 0.475 32.934 32.500 -0.068 0.000 1.085 457 K HN 0.640 nan 8.250 nan 0.000 0.498 458 N N 0.918 119.563 118.700 -0.092 0.000 2.289 458 N HA -0.169 4.579 4.740 0.014 0.000 0.184 458 N C 0.516 176.006 175.510 -0.034 0.000 1.016 458 N CA 1.179 54.201 53.050 -0.046 0.000 0.872 458 N CB 0.030 38.517 38.487 -0.001 0.000 0.973 458 N HN 0.497 nan 8.380 nan 0.000 0.433 459 D N -0.785 119.598 120.400 -0.029 0.000 2.336 459 D HA 0.092 4.740 4.640 0.014 0.000 0.229 459 D C 1.213 177.497 176.300 -0.027 0.000 1.061 459 D CA 0.409 54.398 54.000 -0.018 0.000 0.875 459 D CB -0.304 40.493 40.800 -0.005 0.000 0.904 459 D HN 0.192 nan 8.370 nan 0.000 0.525 460 G N -0.009 108.762 108.800 -0.049 0.000 2.179 460 G HA2 -0.283 3.685 3.960 0.014 0.000 0.260 460 G HA3 -0.283 3.685 3.960 0.014 0.000 0.260 460 G C 0.515 175.373 174.900 -0.069 0.000 0.977 460 G CA 0.699 45.766 45.100 -0.056 0.000 0.641 460 G HN 0.782 nan 8.290 nan 0.000 0.533 461 T N -1.573 112.945 114.554 -0.060 0.000 2.927 461 T HA 0.770 5.129 4.350 0.014 0.000 0.281 461 T C -0.033 174.622 174.700 -0.076 0.000 0.998 461 T CA -0.844 61.222 62.100 -0.056 0.000 1.019 461 T CB 2.585 71.444 68.868 -0.015 0.000 1.061 461 T HN 0.503 nan 8.240 nan 0.000 0.518 462 L N 0.823 122.007 121.223 -0.066 0.000 2.334 462 L HA 0.664 5.013 4.340 0.014 0.000 0.275 462 L C 0.187 177.090 176.870 0.054 0.000 1.036 462 L CA -0.632 54.181 54.840 -0.045 0.000 0.807 462 L CB 1.459 43.449 42.059 -0.114 0.000 1.231 462 L HN 0.833 nan 8.230 nan 0.000 0.438 463 R N 4.447 125.029 120.500 0.136 0.000 2.533 463 R HA 0.528 4.876 4.340 0.014 0.000 0.288 463 R C -2.763 173.706 176.300 0.282 0.000 1.039 463 R CA -1.639 54.587 56.100 0.209 0.000 0.909 463 R CB 2.242 32.669 30.300 0.212 0.000 1.195 463 R HN 0.353 nan 8.270 nan 0.000 0.438 464 P HA 0.087 nan 4.420 nan 0.000 0.275 464 P C -0.477 177.036 177.300 0.356 0.000 1.227 464 P CA -0.296 63.072 63.100 0.447 0.000 0.781 464 P CB 1.302 33.421 31.700 0.699 0.000 0.906 465 L N 2.060 123.470 121.223 0.312 0.000 2.685 465 L HA 0.507 4.856 4.340 0.014 0.000 0.235 465 L C 0.611 177.567 176.870 0.144 0.000 1.070 465 L CA 0.574 55.511 54.840 0.162 0.000 0.888 465 L CB -0.031 42.110 42.059 0.136 0.000 1.203 465 L HN 0.544 nan 8.230 nan 0.000 0.499 466 A N -0.458 122.530 122.820 0.281 0.000 2.577 466 A HA 0.664 4.992 4.320 0.014 0.000 0.297 466 A C -1.515 176.274 177.584 0.343 0.000 1.060 466 A CA -0.265 51.928 52.037 0.261 0.000 0.697 466 A CB 0.960 20.034 19.000 0.123 0.000 1.281 466 A HN -0.048 nan 8.150 nan 0.000 0.402 467 I N 1.448 122.239 120.570 0.367 0.000 2.436 467 I HA 0.365 4.544 4.170 0.014 0.000 0.289 467 I C -0.095 176.142 176.117 0.201 0.000 1.010 467 I CA -0.264 61.201 61.300 0.274 0.000 1.098 467 I CB 2.033 40.155 38.000 0.204 0.000 1.266 467 I HN 0.846 nan 8.210 nan 0.000 0.434 468 E N 7.548 127.833 120.200 0.141 0.000 2.134 468 E HA 0.460 4.818 4.350 0.014 0.000 0.278 468 E C -1.461 175.185 176.600 0.076 0.000 0.959 468 E CA -0.584 55.861 56.400 0.076 0.000 0.783 468 E CB 1.123 30.868 29.700 0.075 0.000 1.095 468 E HN 0.527 nan 8.360 nan 0.000 0.399 469 L N 3.859 125.079 121.223 -0.005 0.000 2.276 469 L HA 0.368 4.716 4.340 0.014 0.000 0.286 469 L C -0.448 176.382 176.870 -0.066 0.000 1.024 469 L CA -0.588 54.174 54.840 -0.130 0.000 0.826 469 L CB 1.585 43.345 42.059 -0.498 0.000 1.211 469 L HN 0.473 nan 8.230 nan 0.000 0.422 470 S N 4.207 119.953 115.700 0.076 0.000 2.501 470 S HA 0.709 5.187 4.470 0.014 0.000 0.301 470 S C -0.361 174.269 174.600 0.050 0.000 1.096 470 S CA -0.542 57.685 58.200 0.046 0.000 1.063 470 S CB 2.001 65.278 63.200 0.129 0.000 1.042 470 S HN 0.377 nan 8.310 nan 0.000 0.494 471 L N 3.756 124.961 121.223 -0.029 0.000 2.341 471 L HA 0.454 4.802 4.340 0.014 0.000 0.267 471 L C -1.546 175.271 176.870 -0.088 0.000 1.009 471 L CA -2.462 52.340 54.840 -0.063 0.000 0.819 471 L CB 2.392 44.434 42.059 -0.029 0.000 1.323 471 L HN 0.415 nan 8.230 nan 0.000 0.425 472 P HA -0.110 nan 4.420 nan 0.000 0.210 472 P C -0.586 176.603 177.300 -0.185 0.000 1.191 472 P CA 1.413 64.323 63.100 -0.316 0.000 0.917 472 P CB -0.026 31.281 31.700 -0.656 0.000 0.778 473 H N -4.236 114.808 119.070 -0.044 0.000 3.240 473 H HA 0.386 4.951 4.556 0.014 0.000 0.326 473 H C -2.307 172.969 175.328 -0.086 0.000 1.015 473 H CA -2.592 53.415 56.048 -0.069 0.000 1.504 473 H CB -0.680 29.041 29.762 -0.068 0.000 1.754 473 H HN -0.094 nan 8.280 nan 0.000 0.505 474 P HA -0.160 nan 4.420 nan 0.000 0.215 474 P C -0.090 177.168 177.300 -0.069 0.000 1.157 474 P CA 1.400 64.422 63.100 -0.131 0.000 0.874 474 P CB 0.419 31.992 31.700 -0.211 0.000 0.790 475 Q N -0.723 119.044 119.800 -0.055 0.000 3.712 475 Q HA 0.509 4.857 4.340 0.014 0.000 0.242 475 Q C -0.141 175.788 176.000 -0.119 0.000 0.837 475 Q CA -0.265 55.483 55.803 -0.092 0.000 0.826 475 Q CB 0.666 29.356 28.738 -0.080 0.000 1.529 475 Q HN 0.233 nan 8.270 nan 0.000 0.405 476 G N 1.469 110.137 108.800 -0.219 0.000 2.663 476 G HA2 -0.169 3.800 3.960 0.014 0.000 0.686 476 G HA3 -0.169 3.800 3.960 0.014 0.000 0.686 476 G C -0.311 174.563 174.900 -0.043 0.000 1.246 476 G CA -0.400 44.561 45.100 -0.233 0.000 0.795 476 G HN 0.275 nan 8.290 nan 0.000 0.627 477 D N 0.396 120.798 120.400 0.003 0.000 2.403 477 D HA -0.062 4.586 4.640 0.014 0.000 0.227 477 D C 2.265 178.612 176.300 0.077 0.000 0.995 477 D CA 1.119 55.172 54.000 0.089 0.000 0.928 477 D CB 0.278 41.134 40.800 0.092 0.000 0.887 477 D HN 0.531 nan 8.370 nan 0.000 0.529 478 Q N 0.094 119.918 119.800 0.040 0.000 2.008 478 Q HA -0.012 4.336 4.340 0.014 0.000 0.196 478 Q C 1.254 177.291 176.000 0.061 0.000 0.973 478 Q CA 0.612 56.442 55.803 0.045 0.000 0.826 478 Q CB -0.295 28.452 28.738 0.015 0.000 0.894 478 Q HN 0.007 nan 8.270 nan 0.000 0.439 479 S N 0.641 116.360 115.700 0.032 0.000 3.266 479 S HA 0.388 4.867 4.470 0.014 0.000 0.209 479 S C 0.353 174.947 174.600 -0.011 0.000 1.409 479 S CA 0.277 58.493 58.200 0.027 0.000 1.179 479 S CB -0.912 62.293 63.200 0.008 0.000 1.218 479 S HN 0.557 nan 8.310 nan 0.000 0.514 480 G N 2.118 110.916 108.800 -0.003 0.000 2.581 480 G HA2 -0.179 3.789 3.960 0.014 0.000 0.289 480 G HA3 -0.179 3.789 3.960 0.014 0.000 0.289 480 G C 0.224 174.864 174.900 -0.432 0.000 1.303 480 G CA -0.387 44.593 45.100 -0.200 0.000 0.931 480 G HN 1.326 nan 8.290 nan 0.000 0.555 481 A N -0.605 121.885 122.820 -0.550 0.000 2.492 481 A HA 0.495 4.823 4.320 0.014 0.000 0.254 481 A C -0.022 177.550 177.584 -0.019 0.000 1.091 481 A CA 0.264 52.135 52.037 -0.277 0.000 0.768 481 A CB 0.121 19.103 19.000 -0.030 0.000 1.028 481 A HN 1.786 nan 8.150 nan 0.000 0.498 482 F N 3.575 123.441 119.950 -0.139 0.000 2.421 482 F HA 0.522 5.058 4.527 0.014 0.000 0.358 482 F C 0.056 175.831 175.800 -0.043 0.000 1.115 482 F CA -0.459 57.490 58.000 -0.085 0.000 1.160 482 F CB 0.525 39.473 39.000 -0.086 0.000 1.123 482 F HN 0.345 nan 8.300 nan 0.000 0.508 483 S N 5.983 121.535 115.700 -0.247 0.000 2.521 483 S HA 0.500 4.979 4.470 0.014 0.000 0.295 483 S C -1.115 173.265 174.600 -0.367 0.000 1.098 483 S CA -0.847 57.184 58.200 -0.281 0.000 0.999 483 S CB 1.888 65.043 63.200 -0.076 0.000 1.034 483 S HN 0.676 nan 8.310 nan 0.000 0.483 484 Q N 0.996 120.568 119.800 -0.381 0.000 2.365 484 Q HA 0.743 5.091 4.340 0.014 0.000 0.269 484 Q C -0.929 174.818 176.000 -0.421 0.000 1.061 484 Q CA -0.987 54.570 55.803 -0.409 0.000 0.816 484 Q CB 1.897 30.328 28.738 -0.512 0.000 1.325 484 Q HN 0.453 nan 8.270 nan 0.000 0.446 485 V N 1.757 121.382 119.914 -0.482 0.000 2.513 485 V HA 0.725 4.854 4.120 0.014 0.000 0.299 485 V C -1.586 174.157 176.094 -0.586 0.000 1.035 485 V CA -0.469 61.570 62.300 -0.434 0.000 0.889 485 V CB 0.914 32.490 31.823 -0.412 0.000 0.988 485 V HN 0.723 nan 8.190 nan 0.000 0.440 486 F N 5.281 125.218 119.950 -0.021 0.000 2.538 486 F HA 0.792 5.328 4.527 0.015 0.000 0.325 486 F C -0.362 175.529 175.800 0.151 0.000 1.066 486 F CA -0.888 57.174 58.000 0.103 0.000 0.946 486 F CB 2.077 41.202 39.000 0.208 0.000 1.199 486 F HN 0.362 nan 8.300 nan 0.000 0.473 487 L N 3.608 124.966 121.223 0.225 0.000 2.354 487 L HA 0.598 4.946 4.340 0.014 0.000 0.269 487 L C -2.337 174.162 176.870 -0.619 0.000 1.005 487 L CA -2.768 51.987 54.840 -0.142 0.000 0.819 487 L CB 1.686 43.693 42.059 -0.088 0.000 1.311 487 L HN 0.269 nan 8.230 nan 0.000 0.423 488 P HA 0.404 nan 4.420 nan 0.000 0.271 488 P C -1.398 175.448 177.300 -0.757 0.000 1.216 488 P CA -0.254 61.793 63.100 -1.755 0.000 0.776 488 P CB 1.155 32.098 31.700 -1.261 0.000 0.881 489 A N 2.306 124.769 122.820 -0.596 0.000 2.606 489 A HA 0.580 4.908 4.320 0.014 0.000 0.293 489 A C -0.351 177.152 177.584 -0.135 0.000 1.082 489 A CA -0.527 51.367 52.037 -0.238 0.000 0.685 489 A CB 1.225 20.157 19.000 -0.113 0.000 1.284 489 A HN 0.509 nan 8.150 nan 0.000 0.408 490 D N -0.517 119.837 120.400 -0.077 0.000 2.500 490 D HA 0.144 4.793 4.640 0.014 0.000 0.217 490 D C -0.027 176.256 176.300 -0.028 0.000 1.159 490 D CA 0.240 54.215 54.000 -0.040 0.000 0.828 490 D CB 0.313 41.088 40.800 -0.042 0.000 1.039 490 D HN 0.537 nan 8.370 nan 0.000 0.512 491 E N 0.688 120.873 120.200 -0.025 0.000 2.299 491 E HA 0.528 4.886 4.350 0.014 0.000 0.265 491 E C 0.740 177.334 176.600 -0.011 0.000 0.911 491 E CA -0.974 55.415 56.400 -0.019 0.000 0.789 491 E CB 1.906 31.596 29.700 -0.017 0.000 1.246 491 E HN 0.134 nan 8.360 nan 0.000 0.427 492 G N 0.218 109.009 108.800 -0.014 0.000 2.598 492 G HA2 -0.308 3.660 3.960 0.014 0.000 0.244 492 G HA3 -0.308 3.660 3.960 0.014 0.000 0.244 492 G C 0.792 175.681 174.900 -0.018 0.000 1.302 492 G CA -0.050 45.044 45.100 -0.010 0.000 0.903 492 G HN 0.440 nan 8.290 nan 0.000 0.575 493 V N -0.260 119.644 119.914 -0.017 0.000 2.515 493 V HA -0.067 4.062 4.120 0.014 0.000 0.250 493 V C 2.598 178.684 176.094 -0.014 0.000 1.058 493 V CA 2.974 65.236 62.300 -0.064 0.000 1.064 493 V CB -0.881 30.892 31.823 -0.085 0.000 0.675 493 V HN 0.698 nan 8.190 nan 0.000 0.461 494 E N 1.665 121.893 120.200 0.048 0.000 2.085 494 E HA -0.183 4.175 4.350 0.014 0.000 0.194 494 E C 2.433 179.091 176.600 0.097 0.000 0.994 494 E CA 1.767 58.221 56.400 0.090 0.000 0.801 494 E CB -0.418 29.324 29.700 0.070 0.000 0.743 494 E HN 0.794 nan 8.360 nan 0.000 0.453 495 S N -0.706 115.031 115.700 0.060 0.000 2.436 495 S HA 0.009 4.487 4.470 0.014 0.000 0.228 495 S C 2.026 176.674 174.600 0.080 0.000 1.014 495 S CA 0.861 59.117 58.200 0.093 0.000 0.950 495 S CB 0.010 63.231 63.200 0.035 0.000 0.784 495 S HN 0.034 nan 8.310 nan 0.000 0.504 496 S N 1.618 117.327 115.700 0.015 0.000 2.395 496 S HA 0.231 4.710 4.470 0.014 0.000 0.225 496 S C 1.714 176.314 174.600 -0.000 0.000 1.027 496 S CA 0.828 59.017 58.200 -0.017 0.000 0.965 496 S CB -0.413 62.748 63.200 -0.066 0.000 0.812 496 S HN 0.486 nan 8.310 nan 0.000 0.482 497 I N 0.629 121.205 120.570 0.009 0.000 2.179 497 I HA -0.227 3.951 4.170 0.014 0.000 0.242 497 I C 2.321 178.429 176.117 -0.016 0.000 1.088 497 I CA 1.296 62.592 61.300 -0.008 0.000 1.357 497 I CB -0.304 37.736 38.000 0.066 0.000 1.051 497 I HN 0.558 nan 8.210 nan 0.000 0.409 498 W N 1.378 122.612 121.300 -0.111 0.000 2.363 498 W HA -0.248 4.421 4.660 0.015 0.000 0.296 498 W C 2.281 178.716 176.519 -0.140 0.000 1.212 498 W CA 0.782 58.056 57.345 -0.118 0.000 1.260 498 W CB -0.050 29.368 29.460 -0.070 0.000 1.131 498 W HN 0.129 nan 8.180 nan 0.000 0.530 499 L N 1.160 122.294 121.223 -0.148 0.000 2.083 499 L HA -0.182 4.167 4.340 0.014 0.000 0.209 499 L C 2.292 179.088 176.870 -0.124 0.000 1.083 499 L CA 1.695 56.410 54.840 -0.208 0.000 0.752 499 L CB -1.246 40.756 42.059 -0.094 0.000 0.899 499 L HN -0.077 nan 8.230 nan 0.000 0.433 500 L N -0.551 120.614 121.223 -0.097 0.000 2.072 500 L HA -0.032 4.317 4.340 0.014 0.000 0.205 500 L C 2.633 179.312 176.870 -0.319 0.000 1.079 500 L CA 1.785 56.517 54.840 -0.180 0.000 0.752 500 L CB -1.255 40.738 42.059 -0.109 0.000 0.906 500 L HN 0.294 nan 8.230 nan 0.000 0.436 501 A N -0.798 121.834 122.820 -0.312 0.000 1.940 501 A HA -0.248 4.080 4.320 0.014 0.000 0.219 501 A C 2.354 179.715 177.584 -0.372 0.000 1.176 501 A CA 1.821 53.670 52.037 -0.314 0.000 0.631 501 A CB -0.416 18.330 19.000 -0.423 0.000 0.814 501 A HN 0.382 nan 8.150 nan 0.000 0.446 502 K N -0.584 119.432 120.400 -0.639 0.000 2.103 502 K HA 0.021 4.350 4.320 0.014 0.000 0.204 502 K C 2.316 178.758 176.600 -0.264 0.000 1.052 502 K CA 0.906 56.780 56.287 -0.689 0.000 0.945 502 K CB -0.295 31.540 32.500 -1.109 0.000 0.722 502 K HN 0.437 nan 8.250 nan 0.000 0.443 503 A N 0.749 123.436 122.820 -0.221 0.000 1.940 503 A HA -0.187 4.141 4.320 0.014 0.000 0.219 503 A C 1.787 179.250 177.584 -0.202 0.000 1.176 503 A CA 1.380 53.297 52.037 -0.200 0.000 0.631 503 A CB -0.680 18.104 19.000 -0.361 0.000 0.814 503 A HN 0.262 nan 8.150 nan 0.000 0.446 504 Y N -0.466 119.805 120.300 -0.048 0.000 2.263 504 Y HA -0.096 4.463 4.550 0.015 0.000 0.292 504 Y C 2.570 178.502 175.900 0.052 0.000 1.130 504 Y CA 0.936 59.053 58.100 0.029 0.000 1.179 504 Y CB -0.738 37.750 38.460 0.048 0.000 0.998 504 Y HN 0.091 nan 8.280 nan 0.000 0.532 505 V N -1.041 118.978 119.914 0.176 0.000 2.295 505 V HA -0.262 3.866 4.120 0.014 0.000 0.246 505 V C 2.232 178.400 176.094 0.124 0.000 1.049 505 V CA 1.748 64.161 62.300 0.187 0.000 1.024 505 V CB -0.924 31.067 31.823 0.280 0.000 0.648 505 V HN 0.217 nan 8.190 nan 0.000 0.447 506 V N -0.589 119.403 119.914 0.131 0.000 2.427 506 V HA -0.192 3.937 4.120 0.014 0.000 0.248 506 V C 2.415 178.511 176.094 0.004 0.000 1.051 506 V CA 1.541 63.890 62.300 0.082 0.000 1.048 506 V CB -0.275 31.613 31.823 0.108 0.000 0.666 506 V HN 0.394 nan 8.190 nan 0.000 0.456 507 V N 0.602 120.519 119.914 0.005 0.000 2.332 507 V HA -0.326 3.803 4.120 0.014 0.000 0.248 507 V C 2.151 178.244 176.094 -0.003 0.000 1.055 507 V CA 2.561 64.860 62.300 -0.001 0.000 1.038 507 V CB -0.884 30.953 31.823 0.024 0.000 0.651 507 V HN 0.653 nan 8.190 nan 0.000 0.450 508 N N -0.542 118.152 118.700 -0.009 0.000 2.120 508 N HA -0.224 4.525 4.740 0.014 0.000 0.188 508 N C 1.808 177.125 175.510 -0.323 0.000 1.024 508 N CA 1.489 54.482 53.050 -0.096 0.000 0.852 508 N CB -0.153 38.215 38.487 -0.199 0.000 1.003 508 N HN 0.543 nan 8.380 nan 0.000 0.424 509 D N 0.330 120.506 120.400 -0.372 0.000 2.123 509 D HA -0.055 4.593 4.640 0.014 0.000 0.200 509 D C 1.638 177.955 176.300 0.028 0.000 0.976 509 D CA 0.762 54.641 54.000 -0.203 0.000 0.831 509 D CB 0.197 40.995 40.800 -0.003 0.000 0.974 509 D HN 0.073 nan 8.370 nan 0.000 0.469 510 S N -0.205 115.500 115.700 0.008 0.000 2.370 510 S HA -0.185 4.294 4.470 0.014 0.000 0.226 510 S C 2.169 176.803 174.600 0.056 0.000 1.033 510 S CA 0.900 59.148 58.200 0.079 0.000 1.011 510 S CB -0.442 62.813 63.200 0.093 0.000 0.852 510 S HN 0.462 nan 8.310 nan 0.000 0.457 511 C N 0.187 119.424 119.300 -0.105 0.000 2.500 511 C HA 0.028 4.497 4.460 0.014 0.000 0.279 511 C C 2.284 176.839 174.990 -0.725 0.000 1.288 511 C CA 0.290 59.015 59.018 -0.487 0.000 1.710 511 C CB -1.345 25.930 27.740 -0.774 0.000 2.052 511 C HN 0.675 nan 8.230 nan 0.000 0.488 512 Y N 0.750 120.763 120.300 -0.478 0.000 2.128 512 Y HA -0.245 4.314 4.550 0.014 0.000 0.284 512 Y C 2.717 178.604 175.900 -0.021 0.000 1.154 512 Y CA 2.488 60.535 58.100 -0.089 0.000 1.149 512 Y CB -0.948 37.696 38.460 0.308 0.000 0.976 512 Y HN 0.560 nan 8.280 nan 0.000 0.505 513 H N -0.342 118.801 119.070 0.123 0.000 2.319 513 H HA -0.247 4.317 4.556 0.014 0.000 0.297 513 H C 2.108 177.393 175.328 -0.071 0.000 1.097 513 H CA 2.191 58.278 56.048 0.065 0.000 1.285 513 H CB -0.176 29.608 29.762 0.036 0.000 1.368 513 H HN 0.426 nan 8.280 nan 0.000 0.495 514 Q N 0.268 119.837 119.800 -0.385 0.000 2.046 514 Q HA -0.060 4.289 4.340 0.014 0.000 0.200 514 Q C 2.455 178.233 176.000 -0.371 0.000 0.975 514 Q CA 1.231 56.703 55.803 -0.552 0.000 0.836 514 Q CB -0.156 28.018 28.738 -0.940 0.000 0.896 514 Q HN 0.394 nan 8.270 nan 0.000 0.428 515 L N -0.814 120.177 121.223 -0.386 0.000 2.179 515 L HA 0.014 4.362 4.340 0.014 0.000 0.208 515 L C 1.985 178.859 176.870 0.007 0.000 1.096 515 L CA 0.909 55.662 54.840 -0.144 0.000 0.779 515 L CB -0.557 41.416 42.059 -0.142 0.000 0.922 515 L HN 0.177 nan 8.230 nan 0.000 0.443 516 V N -2.269 117.535 119.914 -0.184 0.000 2.854 516 V HA 0.044 4.172 4.120 0.014 0.000 0.236 516 V C 2.294 178.333 176.094 -0.093 0.000 1.157 516 V CA 0.810 62.999 62.300 -0.185 0.000 1.187 516 V CB 0.424 31.899 31.823 -0.581 0.000 0.949 516 V HN 0.210 nan 8.190 nan 0.000 0.488 517 S N -0.927 114.713 115.700 -0.101 0.000 2.402 517 S HA -0.144 4.334 4.470 0.014 0.000 0.229 517 S C 1.742 176.349 174.600 0.011 0.000 1.021 517 S CA 1.458 59.679 58.200 0.035 0.000 0.974 517 S CB -0.240 63.034 63.200 0.124 0.000 0.800 517 S HN 0.676 nan 8.310 nan 0.000 0.484 518 H N -0.940 118.006 119.070 -0.207 0.000 2.315 518 H HA 0.029 4.594 4.556 0.014 0.000 0.318 518 H C 2.047 177.429 175.328 0.090 0.000 1.068 518 H CA 0.662 56.646 56.048 -0.106 0.000 1.465 518 H CB -0.544 29.013 29.762 -0.342 0.000 1.475 518 H HN 0.490 nan 8.280 nan 0.000 0.597 519 W N 1.552 122.833 121.300 -0.033 0.000 2.381 519 W HA -0.202 4.467 4.660 0.014 0.000 0.321 519 W C 2.123 178.619 176.519 -0.038 0.000 1.196 519 W CA 1.156 58.453 57.345 -0.079 0.000 1.304 519 W CB -0.628 28.773 29.460 -0.098 0.000 1.166 519 W HN 0.294 nan 8.180 nan 0.000 0.473 520 L N 2.043 123.127 121.223 -0.232 0.000 1.994 520 L HA -0.201 4.147 4.340 0.014 0.000 0.208 520 L C 1.948 178.633 176.870 -0.309 0.000 1.071 520 L CA 2.537 57.147 54.840 -0.383 0.000 0.745 520 L CB -1.412 40.586 42.059 -0.103 0.000 0.892 520 L HN 0.029 nan 8.230 nan 0.000 0.431 521 N N -2.162 116.484 118.700 -0.090 0.000 2.457 521 N HA -0.087 4.661 4.740 0.014 0.000 0.180 521 N C 1.074 176.621 175.510 0.062 0.000 1.050 521 N CA 0.989 54.079 53.050 0.066 0.000 0.906 521 N CB 0.191 38.791 38.487 0.189 0.000 0.968 521 N HN 0.636 nan 8.380 nan 0.000 0.445 522 T N -2.454 112.075 114.554 -0.042 0.000 3.499 522 T HA 0.059 4.418 4.350 0.014 0.000 0.227 522 T C 1.564 176.143 174.700 -0.201 0.000 0.946 522 T CA -0.055 62.007 62.100 -0.064 0.000 1.368 522 T CB -0.457 68.401 68.868 -0.016 0.000 1.227 522 T HN 0.020 nan 8.240 nan 0.000 0.398 523 H N 1.840 120.690 119.070 -0.366 0.000 2.267 523 H HA -0.115 4.449 4.556 0.014 0.000 0.291 523 H C 2.661 177.640 175.328 -0.583 0.000 1.094 523 H CA 2.164 57.927 56.048 -0.475 0.000 1.227 523 H CB -0.566 28.848 29.762 -0.580 0.000 1.351 523 H HN 0.577 nan 8.280 nan 0.000 0.483 524 A N 0.527 122.872 122.820 -0.791 0.000 1.872 524 A HA -0.050 4.279 4.320 0.014 0.000 0.214 524 A C 2.830 180.159 177.584 -0.425 0.000 1.187 524 A CA 1.237 52.824 52.037 -0.749 0.000 0.614 524 A CB -0.804 17.524 19.000 -1.120 0.000 0.826 524 A HN 0.211 nan 8.150 nan 0.000 0.442 525 V N -0.248 119.454 119.914 -0.353 0.000 2.407 525 V HA -0.203 3.926 4.120 0.014 0.000 0.248 525 V C 2.547 178.827 176.094 0.310 0.000 1.055 525 V CA 1.958 64.218 62.300 -0.066 0.000 1.049 525 V CB -0.304 31.438 31.823 -0.136 0.000 0.662 525 V HN 0.368 nan 8.190 nan 0.000 0.455 526 V N -0.419 119.610 119.914 0.193 0.000 2.453 526 V HA -0.227 3.901 4.120 0.014 0.000 0.247 526 V C 2.357 178.577 176.094 0.211 0.000 1.048 526 V CA 2.013 64.488 62.300 0.291 0.000 1.049 526 V CB -0.431 31.453 31.823 0.101 0.000 0.672 526 V HN 0.672 nan 8.190 nan 0.000 0.457 527 E N 0.532 120.753 120.200 0.035 0.000 2.070 527 E HA -0.233 4.125 4.350 0.014 0.000 0.197 527 E C -0.432 176.158 176.600 -0.016 0.000 1.004 527 E CA 1.978 58.367 56.400 -0.018 0.000 0.805 527 E CB -0.717 28.969 29.700 -0.024 0.000 0.744 527 E HN 0.495 nan 8.360 nan 0.000 0.451 528 P HA -0.102 nan 4.420 nan 0.000 0.222 528 P C 0.554 177.815 177.300 -0.064 0.000 1.147 528 P CA 1.011 64.081 63.100 -0.051 0.000 0.790 528 P CB -0.118 31.401 31.700 -0.301 0.000 0.780 529 F N -0.545 119.425 119.950 0.033 0.000 2.134 529 F HA -0.116 4.420 4.527 0.014 0.000 0.299 529 F C 2.322 178.025 175.800 -0.163 0.000 1.097 529 F CA 1.114 59.140 58.000 0.044 0.000 1.264 529 F CB -1.126 37.979 39.000 0.175 0.000 1.001 529 F HN -0.180 nan 8.300 nan 0.000 0.479 530 I N -0.109 120.284 120.570 -0.296 0.000 2.179 530 I HA -0.304 3.874 4.170 0.014 0.000 0.242 530 I C 2.245 178.236 176.117 -0.210 0.000 1.088 530 I CA 1.509 62.445 61.300 -0.605 0.000 1.357 530 I CB -0.618 37.061 38.000 -0.535 0.000 1.051 530 I HN 0.100 nan 8.210 nan 0.000 0.409 531 I N 1.066 121.567 120.570 -0.114 0.000 2.142 531 I HA -0.272 3.906 4.170 0.014 0.000 0.240 531 I C 2.894 178.947 176.117 -0.107 0.000 1.078 531 I CA 1.475 62.693 61.300 -0.136 0.000 1.343 531 I CB -0.592 37.184 38.000 -0.373 0.000 1.046 531 I HN 0.160 nan 8.210 nan 0.000 0.405 532 A N 0.441 123.290 122.820 0.049 0.000 1.892 532 A HA -0.249 4.080 4.320 0.014 0.000 0.218 532 A C 2.407 180.090 177.584 0.164 0.000 1.188 532 A CA 2.719 54.861 52.037 0.176 0.000 0.631 532 A CB -1.294 17.788 19.000 0.137 0.000 0.822 532 A HN 0.426 nan 8.150 nan 0.000 0.447 533 T N 0.297 114.938 114.554 0.145 0.000 2.684 533 T HA -0.167 4.192 4.350 0.014 0.000 0.267 533 T C 1.747 176.542 174.700 0.158 0.000 1.036 533 T CA 1.949 64.167 62.100 0.198 0.000 1.148 533 T CB -0.516 68.525 68.868 0.287 0.000 0.863 533 T HN 0.677 nan 8.240 nan 0.000 0.436 534 N N 0.147 118.827 118.700 -0.033 0.000 2.331 534 N HA 0.054 4.803 4.740 0.014 0.000 0.180 534 N C 2.024 177.409 175.510 -0.208 0.000 1.019 534 N CA 0.544 53.475 53.050 -0.198 0.000 0.881 534 N CB -0.003 37.889 38.487 -0.992 0.000 0.972 534 N HN 0.259 nan 8.380 nan 0.000 0.435 535 R N -0.815 119.583 120.500 -0.170 0.000 2.153 535 R HA 0.064 4.413 4.340 0.014 0.000 0.218 535 R C 0.857 176.955 176.300 -0.337 0.000 1.072 535 R CA 0.933 56.905 56.100 -0.214 0.000 0.990 535 R CB 0.129 30.330 30.300 -0.165 0.000 0.889 535 R HN 0.420 nan 8.270 nan 0.000 0.452 536 H N -2.021 117.068 119.070 0.032 0.000 3.440 536 H HA 0.197 4.762 4.556 0.014 0.000 0.259 536 H C -0.599 174.747 175.328 0.029 0.000 1.120 536 H CA -0.086 55.987 56.048 0.042 0.000 1.191 536 H CB 1.015 30.809 29.762 0.053 0.000 1.537 536 H HN -0.079 nan 8.280 nan 0.000 0.547 537 L N 1.555 122.860 121.223 0.135 0.000 2.305 537 L HA 0.257 4.606 4.340 0.014 0.000 0.284 537 L C 0.611 177.499 176.870 0.031 0.000 1.013 537 L CA -0.334 54.547 54.840 0.069 0.000 0.819 537 L CB 1.722 43.850 42.059 0.116 0.000 1.227 537 L HN -0.062 nan 8.230 nan 0.000 0.417 538 S N 1.539 117.219 115.700 -0.034 0.000 2.568 538 S HA 0.111 4.590 4.470 0.014 0.000 0.282 538 S C 1.655 175.987 174.600 -0.447 0.000 1.338 538 S CA -0.187 57.894 58.200 -0.198 0.000 1.045 538 S CB 0.737 63.827 63.200 -0.183 0.000 0.873 538 S HN 0.498 nan 8.310 nan 0.000 0.516 539 V N 3.868 123.352 119.914 -0.716 0.000 2.660 539 V HA -0.084 4.045 4.120 0.014 0.000 0.257 539 V C 1.817 177.674 176.094 -0.395 0.000 1.088 539 V CA 1.762 63.483 62.300 -0.965 0.000 1.106 539 V CB -1.068 30.463 31.823 -0.486 0.000 0.686 539 V HN 0.663 nan 8.190 nan 0.000 0.481 540 V N -0.338 119.402 119.914 -0.290 0.000 3.235 540 V HA 0.082 4.210 4.120 0.014 0.000 0.259 540 V C 1.346 177.391 176.094 -0.082 0.000 1.133 540 V CA 0.728 62.919 62.300 -0.181 0.000 1.128 540 V CB -0.896 30.756 31.823 -0.285 0.000 0.757 540 V HN 0.759 nan 8.190 nan 0.000 0.469 541 H N 1.534 120.542 119.070 -0.103 0.000 2.732 541 H HA 0.111 4.676 4.556 0.014 0.000 0.351 541 H C -1.235 174.078 175.328 -0.025 0.000 1.090 541 H CA -1.251 54.771 56.048 -0.043 0.000 1.431 541 H CB 1.486 31.272 29.762 0.040 0.000 1.447 541 H HN -0.007 nan 8.280 nan 0.000 0.582 542 P HA -0.222 nan 4.420 nan 0.000 0.216 542 P C 1.209 178.682 177.300 0.289 0.000 1.150 542 P CA 1.152 64.132 63.100 -0.200 0.000 0.837 542 P CB 0.302 31.413 31.700 -0.982 0.000 0.786 543 I N -2.064 118.834 120.570 0.546 0.000 2.500 543 I HA -0.163 4.016 4.170 0.014 0.000 0.252 543 I C 2.477 178.746 176.117 0.254 0.000 1.142 543 I CA 0.728 62.259 61.300 0.385 0.000 1.451 543 I CB -1.678 36.538 38.000 0.360 0.000 1.093 543 I HN -0.086 nan 8.210 nan 0.000 0.430 544 Y N 2.603 123.013 120.300 0.183 0.000 2.165 544 Y HA -0.261 4.298 4.550 0.014 0.000 0.286 544 Y C 2.487 178.452 175.900 0.107 0.000 1.155 544 Y CA 1.929 60.103 58.100 0.125 0.000 1.164 544 Y CB -0.091 38.428 38.460 0.098 0.000 0.978 544 Y HN 0.080 nan 8.280 nan 0.000 0.513 545 K N -0.559 120.047 120.400 0.342 0.000 2.155 545 K HA -0.136 4.193 4.320 0.014 0.000 0.203 545 K C 1.926 178.523 176.600 -0.005 0.000 1.052 545 K CA 1.242 57.685 56.287 0.261 0.000 0.948 545 K CB -0.360 32.401 32.500 0.435 0.000 0.728 545 K HN 0.301 nan 8.250 nan 0.000 0.448 546 L N 0.880 122.032 121.223 -0.118 0.000 2.056 546 L HA -0.131 4.218 4.340 0.014 0.000 0.207 546 L C 1.742 178.504 176.870 -0.181 0.000 1.078 546 L CA 1.570 56.188 54.840 -0.370 0.000 0.749 546 L CB -0.148 41.559 42.059 -0.585 0.000 0.901 546 L HN 0.027 nan 8.230 nan 0.000 0.433 547 L N -1.211 119.903 121.223 -0.181 0.000 2.249 547 L HA -0.057 4.291 4.340 0.014 0.000 0.207 547 L C 2.494 179.007 176.870 -0.594 0.000 1.090 547 L CA 1.336 55.992 54.840 -0.306 0.000 0.802 547 L CB -1.385 40.500 42.059 -0.290 0.000 0.947 547 L HN 0.453 nan 8.230 nan 0.000 0.453 548 H N 1.422 120.153 119.070 -0.565 0.000 2.319 548 H HA -0.119 4.445 4.556 0.014 0.000 0.297 548 H C -0.739 174.364 175.328 -0.375 0.000 1.097 548 H CA 2.079 57.819 56.048 -0.512 0.000 1.285 548 H CB -0.472 29.076 29.762 -0.357 0.000 1.368 548 H HN 0.194 nan 8.280 nan 0.000 0.495 549 P HA -0.113 nan 4.420 nan 0.000 0.225 549 P C 0.697 177.616 177.300 -0.636 0.000 1.148 549 P CA 1.278 64.039 63.100 -0.565 0.000 0.779 549 P CB -0.306 31.039 31.700 -0.591 0.000 0.780 550 H N -2.406 116.444 119.070 -0.367 0.000 2.539 550 H HA 0.104 4.668 4.556 0.014 0.000 0.267 550 H C 0.550 175.820 175.328 -0.098 0.000 0.982 550 H CA 0.487 56.388 56.048 -0.246 0.000 1.146 550 H CB 0.056 29.686 29.762 -0.220 0.000 1.382 550 H HN 0.228 nan 8.280 nan 0.000 0.577 551 Y N 0.253 120.483 120.300 -0.116 0.000 2.481 551 Y HA 0.160 4.718 4.550 0.014 0.000 0.247 551 Y C 1.365 177.200 175.900 -0.109 0.000 1.151 551 Y CA -0.857 57.192 58.100 -0.085 0.000 1.238 551 Y CB 0.076 38.503 38.460 -0.056 0.000 1.179 551 Y HN -0.044 nan 8.280 nan 0.000 0.524 552 R N 2.104 122.552 120.500 -0.086 0.000 2.488 552 R HA -0.107 4.242 4.340 0.014 0.000 0.317 552 R C -0.078 176.131 176.300 -0.152 0.000 0.941 552 R CA 0.978 56.940 56.100 -0.230 0.000 1.076 552 R CB -0.200 29.785 30.300 -0.525 0.000 0.917 552 R HN 0.309 nan 8.270 nan 0.000 0.407 553 D N 1.696 122.130 120.400 0.058 0.000 2.946 553 D HA -0.161 4.488 4.640 0.014 0.000 0.202 553 D C 0.586 176.957 176.300 0.118 0.000 1.068 553 D CA 2.008 56.107 54.000 0.165 0.000 1.011 553 D CB -0.759 40.077 40.800 0.061 0.000 1.105 553 D HN 0.741 nan 8.370 nan 0.000 0.425 554 T N -0.543 114.055 114.554 0.073 0.000 2.737 554 T HA -0.084 4.274 4.350 0.014 0.000 0.265 554 T C 2.134 176.873 174.700 0.065 0.000 1.038 554 T CA 1.578 63.692 62.100 0.024 0.000 1.144 554 T CB -0.167 68.690 68.868 -0.019 0.000 0.866 554 T HN 0.314 nan 8.240 nan 0.000 0.434 555 M N 1.204 120.846 119.600 0.070 0.000 2.202 555 M HA -0.109 4.380 4.480 0.014 0.000 0.262 555 M C 2.313 178.652 176.300 0.065 0.000 1.063 555 M CA 1.208 56.540 55.300 0.053 0.000 1.097 555 M CB -0.656 31.956 32.600 0.018 0.000 1.382 555 M HN 0.353 nan 8.290 nan 0.000 0.413 556 N N 0.977 119.735 118.700 0.096 0.000 2.039 556 N HA -0.161 4.587 4.740 0.014 0.000 0.193 556 N C 1.633 177.224 175.510 0.136 0.000 1.044 556 N CA 1.204 54.321 53.050 0.112 0.000 0.847 556 N CB 0.192 38.778 38.487 0.165 0.000 1.030 556 N HN 0.179 nan 8.380 nan 0.000 0.422 557 I N 1.213 121.881 120.570 0.163 0.000 2.315 557 I HA -0.165 4.013 4.170 0.014 0.000 0.248 557 I C 1.515 177.782 176.117 0.249 0.000 1.117 557 I CA 1.116 62.539 61.300 0.205 0.000 1.404 557 I CB -1.482 36.668 38.000 0.250 0.000 1.071 557 I HN 0.215 nan 8.210 nan 0.000 0.419 558 N N 1.625 120.487 118.700 0.270 0.000 2.188 558 N HA -0.100 4.649 4.740 0.014 0.000 0.184 558 N C 2.036 177.691 175.510 0.242 0.000 1.018 558 N CA 1.567 54.826 53.050 0.349 0.000 0.858 558 N CB -0.683 37.980 38.487 0.294 0.000 0.989 558 N HN 0.421 nan 8.380 nan 0.000 0.426 559 G N 0.640 109.522 108.800 0.137 0.000 2.403 559 G HA2 -0.156 3.813 3.960 0.014 0.000 0.216 559 G HA3 -0.156 3.813 3.960 0.014 0.000 0.216 559 G C 1.540 176.481 174.900 0.068 0.000 1.154 559 G CA 0.390 45.535 45.100 0.075 0.000 0.784 559 G HN 0.281 nan 8.290 nan 0.000 0.538 560 L N 1.250 122.524 121.223 0.085 0.000 2.093 560 L HA 0.211 4.559 4.340 0.014 0.000 0.208 560 L C 2.964 179.858 176.870 0.041 0.000 1.085 560 L CA 2.046 56.924 54.840 0.064 0.000 0.755 560 L CB -0.503 41.607 42.059 0.085 0.000 0.904 560 L HN 0.196 nan 8.230 nan 0.000 0.435 561 A N -0.157 122.701 122.820 0.063 0.000 1.902 561 A HA -0.204 4.125 4.320 0.014 0.000 0.217 561 A C 2.386 179.912 177.584 -0.097 0.000 1.181 561 A CA 1.712 53.721 52.037 -0.046 0.000 0.623 561 A CB -0.565 18.384 19.000 -0.085 0.000 0.818 561 A HN 0.524 nan 8.150 nan 0.000 0.443 562 R N -1.213 119.286 120.500 -0.002 0.000 2.120 562 R HA -0.094 4.255 4.340 0.014 0.000 0.234 562 R C 2.036 178.322 176.300 -0.023 0.000 1.123 562 R CA 1.369 57.470 56.100 0.002 0.000 0.975 562 R CB -0.500 29.827 30.300 0.045 0.000 0.866 562 R HN 0.523 nan 8.270 nan 0.000 0.446 563 L N -0.293 120.921 121.223 -0.015 0.000 2.095 563 L HA 0.020 4.368 4.340 0.014 0.000 0.204 563 L C 1.457 178.308 176.870 -0.031 0.000 1.080 563 L CA 1.870 56.699 54.840 -0.019 0.000 0.759 563 L CB 0.194 42.249 42.059 -0.008 0.000 0.914 563 L HN -0.103 nan 8.230 nan 0.000 0.439 564 S N -2.015 113.661 115.700 -0.039 0.000 2.649 564 S HA 0.258 4.737 4.470 0.014 0.000 0.246 564 S C 1.193 175.757 174.600 -0.060 0.000 1.057 564 S CA -0.230 57.946 58.200 -0.040 0.000 1.051 564 S CB 0.587 63.771 63.200 -0.027 0.000 1.018 564 S HN 0.156 nan 8.310 nan 0.000 0.569 565 L N 0.079 121.242 121.223 -0.101 0.000 2.445 565 L HA 0.437 4.786 4.340 0.014 0.000 0.207 565 L C 1.459 178.203 176.870 -0.210 0.000 1.053 565 L CA 1.003 55.758 54.840 -0.141 0.000 0.841 565 L CB -0.215 41.741 42.059 -0.172 0.000 1.074 565 L HN 0.174 nan 8.230 nan 0.000 0.479 566 V N 0.708 120.457 119.914 -0.275 0.000 3.380 566 V HA 0.187 4.315 4.120 0.014 0.000 0.307 566 V C 0.304 176.269 176.094 -0.214 0.000 1.434 566 V CA -0.248 61.840 62.300 -0.354 0.000 1.075 566 V CB -0.187 31.211 31.823 -0.707 0.000 0.954 566 V HN 0.506 nan 8.190 nan 0.000 0.444 567 N N 0.728 119.345 118.700 -0.138 0.000 2.408 567 N HA 0.034 4.783 4.740 0.014 0.000 0.260 567 N C -0.128 175.340 175.510 -0.070 0.000 1.242 567 N CA -0.261 52.739 53.050 -0.083 0.000 0.959 567 N CB 0.524 38.981 38.487 -0.051 0.000 1.201 567 N HN 0.314 nan 8.380 nan 0.000 0.511 568 D N -1.411 118.964 120.400 -0.041 0.000 2.451 568 D HA 0.246 4.894 4.640 0.014 0.000 0.254 568 D C 1.185 177.490 176.300 0.007 0.000 1.204 568 D CA 0.880 54.867 54.000 -0.022 0.000 0.896 568 D CB -0.476 40.339 40.800 0.025 0.000 1.136 568 D HN 0.829 nan 8.370 nan 0.000 0.499 569 G N 2.397 111.183 108.800 -0.023 0.000 2.162 569 G HA2 -0.184 3.784 3.960 0.014 0.000 0.260 569 G HA3 -0.184 3.784 3.960 0.014 0.000 0.260 569 G C 0.673 175.572 174.900 -0.003 0.000 0.976 569 G CA 0.088 45.187 45.100 -0.002 0.000 0.655 569 G HN 0.951 nan 8.290 nan 0.000 0.533 570 G N -1.165 107.620 108.800 -0.025 0.000 2.510 570 G HA2 0.562 4.531 3.960 0.014 0.000 0.280 570 G HA3 0.562 4.531 3.960 0.014 0.000 0.280 570 G C 1.463 176.348 174.900 -0.025 0.000 1.386 570 G CA 0.816 45.900 45.100 -0.027 0.000 1.047 570 G HN 1.309 nan 8.290 nan 0.000 0.527 571 V N -0.692 119.207 119.914 -0.026 0.000 2.407 571 V HA -0.105 4.024 4.120 0.014 0.000 0.248 571 V C 2.498 178.611 176.094 0.031 0.000 1.055 571 V CA 1.935 64.229 62.300 -0.009 0.000 1.049 571 V CB -0.670 31.150 31.823 -0.006 0.000 0.662 571 V HN 0.571 nan 8.190 nan 0.000 0.455 572 I N 0.300 120.882 120.570 0.020 0.000 2.315 572 I HA -0.161 4.017 4.170 0.014 0.000 0.248 572 I C 2.763 178.933 176.117 0.088 0.000 1.117 572 I CA 1.963 63.317 61.300 0.090 0.000 1.404 572 I CB -0.394 37.525 38.000 -0.134 0.000 1.071 572 I HN 0.373 nan 8.210 nan 0.000 0.419 573 E N 0.287 120.483 120.200 -0.006 0.000 2.150 573 E HA -0.242 4.116 4.350 0.014 0.000 0.193 573 E C 2.051 178.645 176.600 -0.009 0.000 0.985 573 E CA 0.973 57.360 56.400 -0.020 0.000 0.814 573 E CB -0.023 29.638 29.700 -0.065 0.000 0.752 573 E HN 0.604 nan 8.360 nan 0.000 0.466 574 Q N -0.704 119.090 119.800 -0.009 0.000 2.354 574 Q HA 0.013 4.362 4.340 0.014 0.000 0.203 574 Q C 1.465 177.421 176.000 -0.073 0.000 0.933 574 Q CA 0.883 56.671 55.803 -0.025 0.000 0.901 574 Q CB 0.598 29.330 28.738 -0.010 0.000 1.007 574 Q HN 0.111 nan 8.270 nan 0.000 0.495 575 T N -0.436 114.067 114.554 -0.086 0.000 3.038 575 T HA 0.160 4.518 4.350 0.014 0.000 0.244 575 T C -0.020 174.430 174.700 -0.418 0.000 1.016 575 T CA 0.231 62.158 62.100 -0.288 0.000 1.098 575 T CB 0.244 68.893 68.868 -0.365 0.000 0.954 575 T HN -0.039 nan 8.240 nan 0.000 0.469 576 F N 0.600 120.475 119.950 -0.125 0.000 2.483 576 F HA 0.449 4.984 4.527 0.014 0.000 0.329 576 F C 1.039 176.774 175.800 -0.108 0.000 1.064 576 F CA -1.174 56.736 58.000 -0.151 0.000 0.986 576 F CB 1.024 39.894 39.000 -0.217 0.000 1.218 576 F HN -0.171 nan 8.300 nan 0.000 0.484 577 L N 1.748 123.014 121.223 0.073 0.000 2.013 577 L HA -0.214 4.135 4.340 0.014 0.000 0.212 577 L C 1.679 178.705 176.870 0.260 0.000 1.073 577 L CA 2.009 56.910 54.840 0.101 0.000 0.753 577 L CB -0.506 41.604 42.059 0.086 0.000 0.890 577 L HN 0.618 nan 8.230 nan 0.000 0.432 578 W N 0.410 121.771 121.300 0.103 0.000 2.611 578 W HA 0.291 4.961 4.660 0.016 0.000 0.251 578 W C 1.796 178.353 176.519 0.063 0.000 1.265 578 W CA 0.865 58.263 57.345 0.088 0.000 1.295 578 W CB -1.845 27.639 29.460 0.040 0.000 1.129 578 W HN 0.464 nan 8.180 nan 0.000 0.630 579 G N 1.697 110.623 108.800 0.211 0.000 2.561 579 G HA2 -0.448 3.520 3.960 0.014 0.000 0.289 579 G HA3 -0.448 3.520 3.960 0.014 0.000 0.289 579 G C 1.204 176.070 174.900 -0.056 0.000 1.169 579 G CA 1.417 46.548 45.100 0.053 0.000 0.980 579 G HN 0.365 nan 8.290 nan 0.000 0.550 580 R N -0.191 120.160 120.500 -0.248 0.000 2.235 580 R HA 0.165 4.513 4.340 0.014 0.000 0.213 580 R C 1.960 177.990 176.300 -0.450 0.000 1.059 580 R CA 2.189 58.052 56.100 -0.394 0.000 0.997 580 R CB -0.308 29.678 30.300 -0.522 0.000 0.884 580 R HN 0.586 nan 8.270 nan 0.000 0.462 581 Y N 0.799 121.081 120.300 -0.031 0.000 2.461 581 Y HA 0.319 4.878 4.550 0.015 0.000 0.277 581 Y C 1.915 177.723 175.900 -0.153 0.000 1.182 581 Y CA -0.264 57.743 58.100 -0.155 0.000 1.276 581 Y CB 0.339 38.612 38.460 -0.311 0.000 1.087 581 Y HN 0.051 nan 8.280 nan 0.000 0.519 582 S N -0.113 115.635 115.700 0.080 0.000 2.353 582 S HA -0.168 4.310 4.470 0.014 0.000 0.222 582 S C 2.143 176.807 174.600 0.106 0.000 1.035 582 S CA 1.845 60.169 58.200 0.207 0.000 1.025 582 S CB -0.532 62.719 63.200 0.084 0.000 0.902 582 S HN 0.310 nan 8.310 nan 0.000 0.440 583 V N 1.509 121.378 119.914 -0.076 0.000 2.488 583 V HA -0.094 4.034 4.120 0.014 0.000 0.246 583 V C 2.252 178.208 176.094 -0.231 0.000 1.046 583 V CA 1.352 63.558 62.300 -0.157 0.000 1.053 583 V CB -0.754 30.907 31.823 -0.271 0.000 0.679 583 V HN 0.407 nan 8.190 nan 0.000 0.458 584 E N 0.149 120.163 120.200 -0.310 0.000 2.049 584 E HA -0.277 4.081 4.350 0.014 0.000 0.198 584 E C 2.240 178.762 176.600 -0.130 0.000 1.007 584 E CA 1.948 58.088 56.400 -0.434 0.000 0.809 584 E CB -0.274 29.183 29.700 -0.404 0.000 0.749 584 E HN 0.519 nan 8.360 nan 0.000 0.450 585 M N 0.384 119.878 119.600 -0.176 0.000 2.202 585 M HA -0.169 4.319 4.480 0.014 0.000 0.262 585 M C 2.526 178.846 176.300 0.034 0.000 1.063 585 M CA 1.525 56.696 55.300 -0.215 0.000 1.097 585 M CB -0.267 31.927 32.600 -0.676 0.000 1.382 585 M HN 0.116 nan 8.290 nan 0.000 0.413 586 S N 0.470 116.274 115.700 0.174 0.000 2.402 586 S HA -0.032 4.447 4.470 0.014 0.000 0.229 586 S C 2.046 176.879 174.600 0.389 0.000 1.021 586 S CA 0.869 59.251 58.200 0.304 0.000 0.974 586 S CB -0.449 62.972 63.200 0.368 0.000 0.800 586 S HN 0.439 nan 8.310 nan 0.000 0.484 587 A N 1.611 124.630 122.820 0.332 0.000 1.898 587 A HA 0.096 4.425 4.320 0.014 0.000 0.216 587 A C 2.396 180.262 177.584 0.471 0.000 1.181 587 A CA 1.525 53.842 52.037 0.466 0.000 0.620 587 A CB -1.159 17.992 19.000 0.252 0.000 0.819 587 A HN 0.460 nan 8.150 nan 0.000 0.442 588 V N -0.241 119.903 119.914 0.383 0.000 2.324 588 V HA -0.258 3.870 4.120 0.014 0.000 0.250 588 V C 2.531 178.792 176.094 0.279 0.000 1.060 588 V CA 2.157 64.640 62.300 0.305 0.000 1.042 588 V CB -0.788 31.187 31.823 0.254 0.000 0.650 588 V HN 0.383 nan 8.190 nan 0.000 0.450 589 V N -1.191 118.895 119.914 0.286 0.000 2.548 589 V HA -0.231 3.898 4.120 0.014 0.000 0.249 589 V C 2.182 178.478 176.094 0.336 0.000 1.055 589 V CA 1.865 64.340 62.300 0.292 0.000 1.065 589 V CB -0.828 31.166 31.823 0.286 0.000 0.681 589 V HN 0.673 nan 8.190 nan 0.000 0.462 590 Y N 1.525 121.967 120.300 0.238 0.000 2.403 590 Y HA -0.217 4.341 4.550 0.014 0.000 0.291 590 Y C 2.281 178.355 175.900 0.290 0.000 1.143 590 Y CA 1.431 59.668 58.100 0.229 0.000 1.257 590 Y CB -0.299 38.249 38.460 0.146 0.000 0.984 590 Y HN 0.202 nan 8.280 nan 0.000 0.550 591 K N -0.192 120.350 120.400 0.237 0.000 2.211 591 K HA -0.171 4.157 4.320 0.014 0.000 0.204 591 K C 0.852 177.516 176.600 0.107 0.000 1.047 591 K CA 1.551 57.920 56.287 0.137 0.000 0.935 591 K CB -0.055 32.545 32.500 0.166 0.000 0.728 591 K HN 0.367 nan 8.250 nan 0.000 0.452 592 D N -1.156 119.327 120.400 0.138 0.000 2.363 592 D HA -0.027 4.621 4.640 0.014 0.000 0.214 592 D C -0.383 175.964 176.300 0.079 0.000 1.093 592 D CA -0.072 53.992 54.000 0.106 0.000 0.837 592 D CB -0.008 40.861 40.800 0.115 0.000 0.948 592 D HN 0.189 nan 8.370 nan 0.000 0.507 593 W N 2.583 123.811 121.300 -0.119 0.000 2.304 593 W HA 0.252 4.921 4.660 0.014 0.000 0.313 593 W C -0.293 176.006 176.519 -0.367 0.000 1.323 593 W CA -0.528 56.718 57.345 -0.165 0.000 1.223 593 W CB 0.686 30.102 29.460 -0.074 0.000 1.237 593 W HN -0.278 nan 8.180 nan 0.000 0.535 594 V N 8.816 128.059 119.914 -1.117 0.000 2.487 594 V HA 0.311 4.439 4.120 0.014 0.000 0.298 594 V C 0.368 175.234 176.094 -2.047 0.000 1.028 594 V CA -0.796 60.340 62.300 -1.941 0.000 0.860 594 V CB 1.175 31.841 31.823 -1.928 0.000 0.991 594 V HN 0.756 nan 8.190 nan 0.000 0.427 595 F N 4.720 123.269 119.950 -2.334 0.000 2.065 595 F HA -0.147 4.388 4.527 0.014 0.000 0.298 595 F C 2.310 177.692 175.800 -0.696 0.000 1.112 595 F CA 3.084 60.298 58.000 -1.311 0.000 1.212 595 F CB -0.396 38.291 39.000 -0.522 0.000 0.975 595 F HN 0.749 nan 8.300 nan 0.000 0.476 596 T N -2.866 111.271 114.554 -0.696 0.000 3.035 596 T HA -0.106 4.253 4.350 0.014 0.000 0.268 596 T C 1.353 175.741 174.700 -0.519 0.000 1.109 596 T CA 1.156 62.957 62.100 -0.500 0.000 1.119 596 T CB -0.483 68.256 68.868 -0.216 0.000 0.900 596 T HN 0.199 nan 8.240 nan 0.000 0.503 597 D N 1.149 121.173 120.400 -0.627 0.000 2.349 597 D HA 0.021 4.670 4.640 0.014 0.000 0.224 597 D C 2.048 178.088 176.300 -0.433 0.000 1.029 597 D CA 0.288 53.994 54.000 -0.489 0.000 0.879 597 D CB -0.018 40.499 40.800 -0.472 0.000 0.906 597 D HN 0.398 nan 8.370 nan 0.000 0.528 598 Q N 0.360 119.869 119.800 -0.484 0.000 2.378 598 Q HA 0.099 4.448 4.340 0.014 0.000 0.205 598 Q C 0.777 176.599 176.000 -0.296 0.000 0.954 598 Q CA 0.112 55.751 55.803 -0.274 0.000 0.901 598 Q CB -0.171 28.471 28.738 -0.161 0.000 0.981 598 Q HN 0.142 nan 8.270 nan 0.000 0.483 599 A N 1.573 124.096 122.820 -0.494 0.000 2.546 599 A HA 0.026 4.354 4.320 0.014 0.000 0.243 599 A C 1.268 178.176 177.584 -1.126 0.000 1.063 599 A CA -0.127 51.379 52.037 -0.886 0.000 0.757 599 A CB 0.080 18.674 19.000 -0.676 0.000 0.991 599 A HN 0.306 nan 8.150 nan 0.000 0.503 600 L N 4.437 124.566 121.223 -1.824 0.000 2.012 600 L HA -0.060 4.288 4.340 0.014 0.000 0.210 600 L C -0.756 175.561 176.870 -0.921 0.000 1.073 600 L CA 2.646 56.698 54.840 -1.312 0.000 0.748 600 L CB -1.079 40.015 42.059 -1.608 0.000 0.891 600 L HN 0.543 nan 8.230 nan 0.000 0.431 601 P HA -0.100 nan 4.420 nan 0.000 0.218 601 P C 1.475 178.536 177.300 -0.397 0.000 1.149 601 P CA 1.797 64.565 63.100 -0.554 0.000 0.817 601 P CB -0.215 31.219 31.700 -0.444 0.000 0.785 602 A N 0.087 122.645 122.820 -0.437 0.000 1.898 602 A HA -0.235 4.093 4.320 0.014 0.000 0.216 602 A C 2.196 179.621 177.584 -0.264 0.000 1.181 602 A CA 2.149 54.000 52.037 -0.310 0.000 0.620 602 A CB -1.643 17.165 19.000 -0.322 0.000 0.819 602 A HN 0.191 nan 8.150 nan 0.000 0.442 603 D N -0.659 119.563 120.400 -0.298 0.000 2.097 603 D HA -0.153 4.495 4.640 0.014 0.000 0.195 603 D C 1.711 177.944 176.300 -0.113 0.000 0.989 603 D CA 1.152 55.043 54.000 -0.182 0.000 0.827 603 D CB -0.154 40.564 40.800 -0.136 0.000 0.966 603 D HN 0.163 nan 8.370 nan 0.000 0.456 604 L N 0.589 121.724 121.223 -0.147 0.000 2.012 604 L HA -0.110 4.238 4.340 0.014 0.000 0.210 604 L C 2.445 179.286 176.870 -0.049 0.000 1.073 604 L CA 1.387 56.176 54.840 -0.084 0.000 0.748 604 L CB -0.913 41.049 42.059 -0.160 0.000 0.891 604 L HN 0.298 nan 8.230 nan 0.000 0.431 605 I N -0.818 119.699 120.570 -0.088 0.000 2.226 605 I HA -0.332 3.846 4.170 0.014 0.000 0.245 605 I C 2.543 178.631 176.117 -0.048 0.000 1.100 605 I CA 1.309 62.571 61.300 -0.063 0.000 1.374 605 I CB -0.382 37.566 38.000 -0.087 0.000 1.057 605 I HN 0.290 nan 8.210 nan 0.000 0.413 606 K N 1.407 121.765 120.400 -0.069 0.000 2.097 606 K HA -0.142 4.186 4.320 0.014 0.000 0.206 606 K C 2.029 178.614 176.600 -0.024 0.000 1.049 606 K CA 1.350 57.601 56.287 -0.060 0.000 0.933 606 K CB 0.039 32.482 32.500 -0.094 0.000 0.717 606 K HN 0.228 nan 8.250 nan 0.000 0.442 607 R N -0.820 119.681 120.500 0.000 0.000 2.310 607 R HA 0.074 4.422 4.340 0.014 0.000 0.202 607 R C 0.859 177.197 176.300 0.063 0.000 0.933 607 R CA 0.538 56.660 56.100 0.038 0.000 1.054 607 R CB 0.347 30.689 30.300 0.069 0.000 0.985 607 R HN 0.459 nan 8.270 nan 0.000 0.489 608 G N 0.751 109.578 108.800 0.044 0.000 2.160 608 G HA2 -0.257 3.711 3.960 0.014 0.000 0.251 608 G HA3 -0.257 3.711 3.960 0.014 0.000 0.251 608 G C 0.725 175.692 174.900 0.111 0.000 1.008 608 G CA 0.234 45.367 45.100 0.055 0.000 0.724 608 G HN 0.129 nan 8.290 nan 0.000 0.514 609 M N -0.354 119.323 119.600 0.128 0.000 2.502 609 M HA 0.530 5.018 4.480 0.014 0.000 0.243 609 M C 1.124 177.501 176.300 0.128 0.000 1.130 609 M CA 0.827 56.241 55.300 0.190 0.000 1.055 609 M CB -0.292 32.459 32.600 0.251 0.000 1.457 609 M HN 1.019 nan 8.290 nan 0.000 0.488 610 A N 1.038 123.895 122.820 0.062 0.000 2.572 610 A HA 0.794 5.122 4.320 0.014 0.000 0.295 610 A C -0.853 176.736 177.584 0.009 0.000 1.072 610 A CA -0.829 51.223 52.037 0.024 0.000 0.691 610 A CB 1.590 20.575 19.000 -0.024 0.000 1.291 610 A HN 0.293 nan 8.150 nan 0.000 0.404 611 I N -1.728 118.846 120.570 0.006 0.000 2.740 611 I HA 0.673 4.852 4.170 0.014 0.000 0.303 611 I C -0.106 176.005 176.117 -0.010 0.000 1.044 611 I CA -0.639 60.660 61.300 -0.002 0.000 1.064 611 I CB 1.841 39.844 38.000 0.006 0.000 1.249 611 I HN 0.663 nan 8.210 nan 0.000 0.433 612 E N 2.348 122.539 120.200 -0.015 0.000 2.344 612 E HA 0.169 4.527 4.350 0.014 0.000 0.270 612 E C -1.255 175.340 176.600 -0.009 0.000 1.021 612 E CA 0.206 56.597 56.400 -0.016 0.000 0.887 612 E CB 0.631 30.319 29.700 -0.020 0.000 0.997 612 E HN 0.596 nan 8.360 nan 0.000 0.429 613 D N 4.875 125.271 120.400 -0.007 0.000 2.354 613 D HA 0.109 4.758 4.640 0.014 0.000 0.230 613 D C -2.138 174.158 176.300 -0.007 0.000 1.361 613 D CA -1.469 52.528 54.000 -0.005 0.000 0.992 613 D CB 1.340 42.139 40.800 -0.002 0.000 1.409 613 D HN 0.150 nan 8.370 nan 0.000 0.573 614 P HA -0.125 nan 4.420 nan 0.000 0.220 614 P C 1.403 178.693 177.300 -0.017 0.000 1.144 614 P CA 0.561 63.654 63.100 -0.013 0.000 0.800 614 P CB 0.486 32.179 31.700 -0.012 0.000 0.772 615 S N -1.382 114.309 115.700 -0.014 0.000 2.440 615 S HA -0.080 4.398 4.470 0.014 0.000 0.238 615 S C 1.030 175.616 174.600 -0.023 0.000 1.010 615 S CA 0.612 58.802 58.200 -0.017 0.000 0.972 615 S CB -0.509 62.684 63.200 -0.011 0.000 0.774 615 S HN 0.244 nan 8.310 nan 0.000 0.501 616 C N 1.009 120.295 119.300 -0.022 0.000 2.376 616 C HA 0.400 4.869 4.460 0.014 0.000 0.335 616 C C -0.779 174.177 174.990 -0.057 0.000 1.229 616 C CA -1.573 57.429 59.018 -0.026 0.000 1.867 616 C CB 0.976 28.714 27.740 -0.003 0.000 2.319 616 C HN 0.298 nan 8.230 nan 0.000 0.515 617 P HA -0.209 nan 4.420 nan 0.000 0.224 617 P C 0.356 177.431 177.300 -0.376 0.000 1.153 617 P CA 1.955 64.891 63.100 -0.273 0.000 0.947 617 P CB -0.025 31.471 31.700 -0.341 0.000 0.790 618 H N -3.476 115.586 119.070 -0.013 0.000 2.487 618 H HA 0.471 5.035 4.556 0.014 0.000 0.290 618 H C 1.344 176.664 175.328 -0.014 0.000 1.081 618 H CA 0.453 56.498 56.048 -0.006 0.000 1.116 618 H CB -0.166 29.594 29.762 -0.003 0.000 1.560 618 H HN 0.193 nan 8.280 nan 0.000 0.548 619 G N 0.981 109.806 108.800 0.041 0.000 2.179 619 G HA2 -0.284 3.685 3.960 0.014 0.000 0.260 619 G HA3 -0.284 3.685 3.960 0.014 0.000 0.260 619 G C 0.327 175.234 174.900 0.012 0.000 0.977 619 G CA 0.492 45.603 45.100 0.019 0.000 0.641 619 G HN 0.536 nan 8.290 nan 0.000 0.533 620 I N -3.420 117.163 120.570 0.022 0.000 2.892 620 I HA 0.869 5.047 4.170 0.014 0.000 0.306 620 I C -0.322 175.802 176.117 0.011 0.000 1.078 620 I CA -1.668 59.632 61.300 0.000 0.000 1.032 620 I CB 2.091 40.072 38.000 -0.032 0.000 1.229 620 I HN -0.069 nan 8.210 nan 0.000 0.435 621 R N 4.299 124.803 120.500 0.007 0.000 2.387 621 R HA 0.582 4.930 4.340 0.014 0.000 0.314 621 R C -1.196 175.117 176.300 0.021 0.000 0.958 621 R CA -0.821 55.288 56.100 0.016 0.000 0.846 621 R CB 1.580 31.889 30.300 0.015 0.000 1.147 621 R HN 0.759 nan 8.270 nan 0.000 0.447 622 L N 4.257 125.497 121.223 0.029 0.000 2.397 622 L HA 0.114 4.462 4.340 0.014 0.000 0.271 622 L C 1.981 178.894 176.870 0.073 0.000 1.148 622 L CA -0.343 54.527 54.840 0.050 0.000 0.825 622 L CB 1.214 43.302 42.059 0.049 0.000 1.117 622 L HN 0.512 nan 8.230 nan 0.000 0.456 623 V N 1.082 121.063 119.914 0.112 0.000 2.951 623 V HA 0.141 4.269 4.120 0.014 0.000 0.255 623 V C 0.803 176.974 176.094 0.129 0.000 1.088 623 V CA 0.678 63.062 62.300 0.139 0.000 1.109 623 V CB -0.125 31.819 31.823 0.202 0.000 0.724 623 V HN 0.535 nan 8.190 nan 0.000 0.471 624 I N 0.826 121.447 120.570 0.084 0.000 2.382 624 I HA 0.363 4.542 4.170 0.014 0.000 0.285 624 I C 1.020 177.169 176.117 0.054 0.000 1.007 624 I CA -0.272 61.026 61.300 -0.003 0.000 1.142 624 I CB 1.820 39.706 38.000 -0.191 0.000 1.289 624 I HN 0.092 nan 8.210 nan 0.000 0.453 625 E N 2.595 122.814 120.200 0.032 0.000 2.072 625 E HA -0.182 4.177 4.350 0.014 0.000 0.191 625 E C 0.377 177.003 176.600 0.043 0.000 0.985 625 E CA 0.998 57.420 56.400 0.037 0.000 0.801 625 E CB 0.238 29.951 29.700 0.022 0.000 0.750 625 E HN 0.493 nan 8.360 nan 0.000 0.452 626 D N -0.066 120.349 120.400 0.025 0.000 2.631 626 D HA -0.043 4.606 4.640 0.014 0.000 0.227 626 D C -1.546 174.785 176.300 0.051 0.000 1.146 626 D CA -0.143 53.872 54.000 0.025 0.000 1.009 626 D CB -0.268 40.531 40.800 -0.001 0.000 1.057 626 D HN 0.027 nan 8.370 nan 0.000 0.509 627 Y N 3.179 123.427 120.300 -0.087 0.000 2.805 627 Y HA 0.383 4.942 4.550 0.014 0.000 0.339 627 Y C -2.126 173.708 175.900 -0.111 0.000 1.012 627 Y CA -3.035 55.003 58.100 -0.104 0.000 1.262 627 Y CB 1.360 39.766 38.460 -0.090 0.000 1.100 627 Y HN 0.096 nan 8.280 nan 0.000 0.559 628 P HA -0.245 nan 4.420 nan 0.000 0.215 628 P C 1.435 178.610 177.300 -0.208 0.000 1.157 628 P CA 1.688 64.673 63.100 -0.191 0.000 0.874 628 P CB -0.050 31.339 31.700 -0.519 0.000 0.790 629 Y N 0.291 120.412 120.300 -0.298 0.000 2.114 629 Y HA -0.244 4.314 4.550 0.014 0.000 0.282 629 Y C 2.186 178.000 175.900 -0.144 0.000 1.165 629 Y CA 2.242 60.307 58.100 -0.058 0.000 1.148 629 Y CB -1.255 37.235 38.460 0.049 0.000 0.972 629 Y HN -0.103 nan 8.280 nan 0.000 0.504 630 T N -0.121 114.017 114.554 -0.693 0.000 2.809 630 T HA -0.109 4.249 4.350 0.014 0.000 0.260 630 T C 2.023 176.450 174.700 -0.455 0.000 1.039 630 T CA 1.793 63.411 62.100 -0.804 0.000 1.141 630 T CB -0.591 67.560 68.868 -1.196 0.000 0.869 630 T HN 0.238 nan 8.240 nan 0.000 0.437 631 V N 2.013 121.763 119.914 -0.274 0.000 2.343 631 V HA -0.150 3.979 4.120 0.014 0.000 0.247 631 V C 2.173 178.206 176.094 -0.102 0.000 1.051 631 V CA 1.715 63.932 62.300 -0.138 0.000 1.036 631 V CB -0.698 31.105 31.823 -0.034 0.000 0.654 631 V HN 0.350 nan 8.190 nan 0.000 0.451 632 D N 1.154 121.525 120.400 -0.049 0.000 2.123 632 D HA -0.028 4.620 4.640 0.014 0.000 0.200 632 D C 2.287 178.587 176.300 0.000 0.000 0.976 632 D CA 1.559 55.578 54.000 0.032 0.000 0.831 632 D CB -0.708 40.194 40.800 0.170 0.000 0.974 632 D HN 0.451 nan 8.370 nan 0.000 0.469 633 G N 0.767 109.515 108.800 -0.087 0.000 2.422 633 G HA2 -0.205 3.763 3.960 0.014 0.000 0.218 633 G HA3 -0.205 3.763 3.960 0.014 0.000 0.218 633 G C 1.506 176.364 174.900 -0.070 0.000 1.146 633 G CA 0.242 45.346 45.100 0.008 0.000 0.769 633 G HN 0.143 nan 8.290 nan 0.000 0.547 634 L N 1.051 122.101 121.223 -0.287 0.000 2.042 634 L HA -0.059 4.289 4.340 0.014 0.000 0.210 634 L C 2.785 179.441 176.870 -0.357 0.000 1.076 634 L CA 1.457 56.038 54.840 -0.432 0.000 0.749 634 L CB -0.719 40.923 42.059 -0.695 0.000 0.893 634 L HN 0.276 nan 8.230 nan 0.000 0.432 635 E N -0.738 119.340 120.200 -0.203 0.000 2.072 635 E HA -0.183 4.175 4.350 0.014 0.000 0.191 635 E C 2.383 179.044 176.600 0.103 0.000 0.985 635 E CA 1.194 57.609 56.400 0.025 0.000 0.801 635 E CB -0.211 29.537 29.700 0.080 0.000 0.750 635 E HN 0.476 nan 8.360 nan 0.000 0.452 636 I N 0.698 121.358 120.570 0.150 0.000 2.353 636 I HA -0.179 4.000 4.170 0.014 0.000 0.248 636 I C 2.454 178.758 176.117 0.312 0.000 1.119 636 I CA 0.698 62.144 61.300 0.244 0.000 1.417 636 I CB -0.216 37.962 38.000 0.298 0.000 1.078 636 I HN 0.235 nan 8.210 nan 0.000 0.421 637 W N 2.264 123.624 121.300 0.100 0.000 2.333 637 W HA -0.263 4.405 4.660 0.014 0.000 0.316 637 W C 1.858 178.370 176.519 -0.012 0.000 1.215 637 W CA 1.859 59.163 57.345 -0.068 0.000 1.278 637 W CB -0.360 28.798 29.460 -0.504 0.000 1.154 637 W HN 0.151 nan 8.180 nan 0.000 0.486 638 D N 0.464 120.842 120.400 -0.037 0.000 2.117 638 D HA -0.128 4.520 4.640 0.014 0.000 0.197 638 D C 2.447 178.730 176.300 -0.028 0.000 0.987 638 D CA 2.248 56.222 54.000 -0.045 0.000 0.829 638 D CB -0.660 40.248 40.800 0.180 0.000 0.961 638 D HN 0.156 nan 8.370 nan 0.000 0.460 639 A N 0.337 123.209 122.820 0.086 0.000 1.877 639 A HA -0.155 4.174 4.320 0.014 0.000 0.216 639 A C 2.374 180.093 177.584 0.225 0.000 1.186 639 A CA 1.034 53.194 52.037 0.205 0.000 0.620 639 A CB -0.764 18.400 19.000 0.273 0.000 0.822 639 A HN 0.235 nan 8.150 nan 0.000 0.443 640 I N -0.629 120.025 120.570 0.140 0.000 2.127 640 I HA -0.292 3.886 4.170 0.014 0.000 0.241 640 I C 2.623 178.607 176.117 -0.221 0.000 1.075 640 I CA 1.862 63.150 61.300 -0.021 0.000 1.334 640 I CB -0.269 37.723 38.000 -0.013 0.000 1.040 640 I HN 0.333 nan 8.210 nan 0.000 0.405 641 K N 0.320 120.462 120.400 -0.430 0.000 2.063 641 K HA -0.181 4.148 4.320 0.014 0.000 0.208 641 K C 2.109 178.609 176.600 -0.167 0.000 1.048 641 K CA 2.017 58.054 56.287 -0.416 0.000 0.928 641 K CB -0.113 32.042 32.500 -0.574 0.000 0.713 641 K HN 0.304 nan 8.250 nan 0.000 0.442 642 T N 0.738 115.236 114.554 -0.093 0.000 2.708 642 T HA -0.192 4.167 4.350 0.014 0.000 0.266 642 T C 1.238 175.993 174.700 0.092 0.000 1.037 642 T CA 1.365 63.460 62.100 -0.008 0.000 1.146 642 T CB -0.380 68.505 68.868 0.028 0.000 0.865 642 T HN 0.528 nan 8.240 nan 0.000 0.435 643 W N 1.780 123.001 121.300 -0.132 0.000 2.333 643 W HA -0.203 4.465 4.660 0.014 0.000 0.316 643 W C 1.758 178.241 176.519 -0.061 0.000 1.215 643 W CA 0.724 57.960 57.345 -0.182 0.000 1.278 643 W CB -0.547 28.474 29.460 -0.732 0.000 1.154 643 W HN 0.034 nan 8.180 nan 0.000 0.486 644 V N 0.837 120.513 119.914 -0.397 0.000 2.343 644 V HA -0.341 3.787 4.120 0.014 0.000 0.247 644 V C 2.319 178.342 176.094 -0.119 0.000 1.051 644 V CA 2.533 64.567 62.300 -0.443 0.000 1.036 644 V CB -1.466 30.176 31.823 -0.302 0.000 0.654 644 V HN 0.330 nan 8.190 nan 0.000 0.451 645 H N 0.447 119.453 119.070 -0.106 0.000 2.267 645 H HA -0.183 4.381 4.556 0.014 0.000 0.297 645 H C 2.383 177.733 175.328 0.036 0.000 1.080 645 H CA 2.288 58.321 56.048 -0.026 0.000 1.278 645 H CB 0.035 29.709 29.762 -0.147 0.000 1.365 645 H HN 0.487 nan 8.280 nan 0.000 0.489 646 E N -0.712 119.616 120.200 0.215 0.000 2.097 646 E HA -0.291 4.068 4.350 0.014 0.000 0.196 646 E C 1.948 178.632 176.600 0.139 0.000 1.000 646 E CA 1.499 58.011 56.400 0.187 0.000 0.804 646 E CB -0.292 29.539 29.700 0.217 0.000 0.740 646 E HN 0.584 nan 8.360 nan 0.000 0.454 647 Y N 1.067 121.308 120.300 -0.099 0.000 2.184 647 Y HA -0.202 4.357 4.550 0.015 0.000 0.290 647 Y C 2.265 178.213 175.900 0.079 0.000 1.129 647 Y CA 1.066 59.090 58.100 -0.126 0.000 1.144 647 Y CB -0.204 37.899 38.460 -0.594 0.000 0.995 647 Y HN -0.200 nan 8.280 nan 0.000 0.513 648 V N -0.174 119.893 119.914 0.255 0.000 2.287 648 V HA -0.335 3.794 4.120 0.014 0.000 0.248 648 V C 2.030 178.239 176.094 0.192 0.000 1.053 648 V CA 2.219 64.692 62.300 0.288 0.000 1.027 648 V CB -0.867 31.085 31.823 0.214 0.000 0.646 648 V HN 0.400 nan 8.190 nan 0.000 0.447 649 F N -1.266 118.645 119.950 -0.065 0.000 2.604 649 F HA -0.023 4.512 4.527 0.014 0.000 0.298 649 F C 1.946 177.671 175.800 -0.125 0.000 1.131 649 F CA 0.331 58.281 58.000 -0.084 0.000 1.457 649 F CB -0.023 38.906 39.000 -0.118 0.000 1.095 649 F HN 0.127 nan 8.300 nan 0.000 0.574 650 L N -1.264 119.903 121.223 -0.094 0.000 2.156 650 L HA -0.174 4.174 4.340 0.014 0.000 0.208 650 L C 1.459 177.950 176.870 -0.631 0.000 1.095 650 L CA 1.920 56.513 54.840 -0.410 0.000 0.770 650 L CB -0.741 40.908 42.059 -0.683 0.000 0.914 650 L HN 0.123 nan 8.230 nan 0.000 0.439 651 Y N -3.361 116.782 120.300 -0.261 0.000 2.522 651 Y HA 0.123 4.682 4.550 0.014 0.000 0.277 651 Y C 0.186 175.814 175.900 -0.453 0.000 1.104 651 Y CA -0.351 57.499 58.100 -0.416 0.000 1.260 651 Y CB -0.050 38.055 38.460 -0.593 0.000 1.151 651 Y HN -0.108 nan 8.280 nan 0.000 0.539 652 Y N 1.331 121.574 120.300 -0.095 0.000 2.434 652 Y HA 0.248 4.806 4.550 0.014 0.000 0.341 652 Y C 1.072 176.847 175.900 -0.208 0.000 0.965 652 Y CA -1.060 56.949 58.100 -0.151 0.000 1.205 652 Y CB 0.905 39.243 38.460 -0.203 0.000 1.121 652 Y HN -0.065 nan 8.280 nan 0.000 0.507 653 K N 1.357 121.749 120.400 -0.013 0.000 2.283 653 K HA -0.026 4.303 4.320 0.014 0.000 0.202 653 K C 0.171 176.742 176.600 -0.048 0.000 1.048 653 K CA 1.050 57.313 56.287 -0.040 0.000 0.948 653 K CB 0.132 32.615 32.500 -0.027 0.000 0.742 653 K HN 0.670 nan 8.250 nan 0.000 0.458 654 S N -1.383 114.290 115.700 -0.046 0.000 2.636 654 S HA 0.177 4.656 4.470 0.014 0.000 0.268 654 S C -0.380 174.168 174.600 -0.087 0.000 1.159 654 S CA -0.989 57.174 58.200 -0.062 0.000 0.815 654 S CB 1.129 64.314 63.200 -0.025 0.000 1.130 654 S HN -0.144 nan 8.310 nan 0.000 0.471 655 D N 0.874 121.221 120.400 -0.088 0.000 2.178 655 D HA -0.063 4.586 4.640 0.014 0.000 0.201 655 D C 1.048 177.307 176.300 -0.069 0.000 0.980 655 D CA 1.186 55.126 54.000 -0.100 0.000 0.842 655 D CB -0.269 40.490 40.800 -0.068 0.000 0.948 655 D HN 0.538 nan 8.370 nan 0.000 0.472 656 D N -0.164 120.216 120.400 -0.033 0.000 2.144 656 D HA -0.089 4.560 4.640 0.014 0.000 0.199 656 D C 1.811 178.117 176.300 0.010 0.000 0.984 656 D CA 0.945 54.938 54.000 -0.011 0.000 0.834 656 D CB -0.120 40.678 40.800 -0.002 0.000 0.955 656 D HN 0.147 nan 8.370 nan 0.000 0.465 657 T N 0.813 115.387 114.554 0.033 0.000 2.867 657 T HA -0.081 4.278 4.350 0.014 0.000 0.268 657 T C 1.993 176.793 174.700 0.166 0.000 1.057 657 T CA 0.279 62.442 62.100 0.106 0.000 1.136 657 T CB -0.064 68.888 68.868 0.139 0.000 0.874 657 T HN 0.087 nan 8.240 nan 0.000 0.466 658 L N 0.769 122.007 121.223 0.026 0.000 2.072 658 L HA 0.025 4.374 4.340 0.014 0.000 0.205 658 L C 2.576 179.407 176.870 -0.066 0.000 1.079 658 L CA 1.439 56.177 54.840 -0.169 0.000 0.752 658 L CB -0.147 41.643 42.059 -0.448 0.000 0.906 658 L HN 0.051 nan 8.230 nan 0.000 0.436 659 R N -0.355 120.119 120.500 -0.043 0.000 2.115 659 R HA -0.128 4.220 4.340 0.014 0.000 0.230 659 R C 1.837 178.147 176.300 0.017 0.000 1.111 659 R CA 1.468 57.558 56.100 -0.016 0.000 0.976 659 R CB -0.309 29.981 30.300 -0.016 0.000 0.870 659 R HN 0.509 nan 8.270 nan 0.000 0.445 660 E N 0.644 120.866 120.200 0.036 0.000 2.482 660 E HA -0.072 4.287 4.350 0.014 0.000 0.196 660 E C -0.057 176.590 176.600 0.078 0.000 1.047 660 E CA 0.014 56.444 56.400 0.050 0.000 0.869 660 E CB 0.112 29.841 29.700 0.048 0.000 0.836 660 E HN 0.133 nan 8.360 nan 0.000 0.520 661 D N 1.136 121.605 120.400 0.114 0.000 2.352 661 D HA 0.010 4.659 4.640 0.014 0.000 0.245 661 D C -1.624 174.756 176.300 0.134 0.000 1.224 661 D CA -2.349 51.753 54.000 0.170 0.000 0.879 661 D CB 1.249 42.230 40.800 0.302 0.000 1.057 661 D HN -0.086 nan 8.370 nan 0.000 0.491 662 P HA -0.042 nan 4.420 nan 0.000 0.222 662 P C 0.928 178.289 177.300 0.101 0.000 1.153 662 P CA 0.753 63.907 63.100 0.089 0.000 0.798 662 P CB 0.673 32.419 31.700 0.076 0.000 0.796 663 E N -0.416 119.867 120.200 0.138 0.000 2.046 663 E HA -0.101 4.257 4.350 0.014 0.000 0.190 663 E C 2.017 178.661 176.600 0.073 0.000 0.982 663 E CA 0.515 56.990 56.400 0.125 0.000 0.800 663 E CB -0.596 29.187 29.700 0.138 0.000 0.756 663 E HN 0.059 nan 8.360 nan 0.000 0.449 664 L N 1.343 122.615 121.223 0.082 0.000 2.042 664 L HA -0.244 4.104 4.340 0.014 0.000 0.210 664 L C 2.212 179.132 176.870 0.083 0.000 1.076 664 L CA 1.681 56.561 54.840 0.066 0.000 0.749 664 L CB -0.199 41.935 42.059 0.125 0.000 0.893 664 L HN 0.044 nan 8.230 nan 0.000 0.432 665 Q N -0.246 119.596 119.800 0.070 0.000 2.084 665 Q HA -0.126 4.222 4.340 0.014 0.000 0.202 665 Q C 2.348 178.359 176.000 0.018 0.000 0.978 665 Q CA 1.812 57.651 55.803 0.059 0.000 0.844 665 Q CB -0.772 27.990 28.738 0.041 0.000 0.898 665 Q HN 0.681 nan 8.270 nan 0.000 0.426 666 A N 0.233 123.025 122.820 -0.047 0.000 1.969 666 A HA -0.167 4.162 4.320 0.014 0.000 0.218 666 A C 2.499 179.833 177.584 -0.417 0.000 1.169 666 A CA 1.372 53.264 52.037 -0.241 0.000 0.635 666 A CB -1.095 17.756 19.000 -0.247 0.000 0.810 666 A HN 0.517 nan 8.150 nan 0.000 0.445 667 C N -1.333 117.869 119.300 -0.164 0.000 2.436 667 C HA -0.135 4.333 4.460 0.014 0.000 0.277 667 C C 2.465 177.470 174.990 0.024 0.000 1.241 667 C CA 1.334 60.344 59.018 -0.013 0.000 1.721 667 C CB -1.322 26.508 27.740 0.148 0.000 2.043 667 C HN 0.754 nan 8.230 nan 0.000 0.472 668 W N 1.357 122.591 121.300 -0.111 0.000 2.418 668 W HA -0.057 4.611 4.660 0.014 0.000 0.292 668 W C 2.534 178.928 176.519 -0.207 0.000 1.213 668 W CA 1.619 58.892 57.345 -0.120 0.000 1.283 668 W CB -0.430 28.990 29.460 -0.067 0.000 1.119 668 W HN 0.444 nan 8.180 nan 0.000 0.542 669 K N 0.975 121.297 120.400 -0.129 0.000 2.057 669 K HA -0.265 4.063 4.320 0.014 0.000 0.207 669 K C 1.961 178.353 176.600 -0.347 0.000 1.049 669 K CA 1.903 58.044 56.287 -0.244 0.000 0.931 669 K CB -0.525 31.890 32.500 -0.142 0.000 0.714 669 K HN 0.108 nan 8.250 nan 0.000 0.440 670 E N 0.593 120.606 120.200 -0.311 0.000 2.107 670 E HA -0.150 4.209 4.350 0.014 0.000 0.191 670 E C 2.099 178.465 176.600 -0.389 0.000 0.982 670 E CA 0.317 56.548 56.400 -0.282 0.000 0.809 670 E CB 0.023 29.642 29.700 -0.135 0.000 0.756 670 E HN 0.275 nan 8.360 nan 0.000 0.459 671 L N 1.014 121.973 121.223 -0.440 0.000 2.013 671 L HA -0.173 4.176 4.340 0.014 0.000 0.212 671 L C 2.231 178.601 176.870 -0.833 0.000 1.073 671 L CA 1.599 56.062 54.840 -0.628 0.000 0.753 671 L CB -0.739 40.870 42.059 -0.751 0.000 0.890 671 L HN 0.131 nan 8.230 nan 0.000 0.432 672 V N 0.038 119.319 119.914 -1.054 0.000 2.323 672 V HA -0.206 3.922 4.120 0.014 0.000 0.244 672 V C 2.411 178.099 176.094 -0.676 0.000 1.041 672 V CA 1.704 63.281 62.300 -1.204 0.000 1.025 672 V CB -0.425 30.568 31.823 -1.384 0.000 0.656 672 V HN 0.442 nan 8.190 nan 0.000 0.451 673 E N -0.743 119.150 120.200 -0.512 0.000 2.299 673 E HA -0.035 4.324 4.350 0.014 0.000 0.193 673 E C 1.757 178.174 176.600 -0.305 0.000 0.998 673 E CA 0.841 57.039 56.400 -0.337 0.000 0.851 673 E CB 0.474 30.017 29.700 -0.263 0.000 0.795 673 E HN 0.482 nan 8.360 nan 0.000 0.492 674 V N -1.187 118.480 119.914 -0.412 0.000 3.161 674 V HA 0.100 4.229 4.120 0.014 0.000 0.221 674 V C 2.026 177.747 176.094 -0.622 0.000 1.296 674 V CA 0.915 62.917 62.300 -0.498 0.000 1.306 674 V CB -0.057 31.392 31.823 -0.622 0.000 1.171 674 V HN 0.270 nan 8.190 nan 0.000 0.513 675 G N -0.671 107.685 108.800 -0.739 0.000 2.408 675 G HA2 -0.164 3.805 3.960 0.014 0.000 0.217 675 G HA3 -0.164 3.805 3.960 0.014 0.000 0.217 675 G C 1.000 175.601 174.900 -0.498 0.000 1.150 675 G CA 0.753 45.477 45.100 -0.626 0.000 0.776 675 G HN 0.564 nan 8.290 nan 0.000 0.542 676 H N 0.012 118.908 119.070 -0.291 0.000 2.505 676 H HA 0.246 4.811 4.556 0.014 0.000 0.260 676 H C 2.026 177.364 175.328 0.017 0.000 1.168 676 H CA 0.165 56.202 56.048 -0.018 0.000 0.945 676 H CB 0.519 30.389 29.762 0.179 0.000 1.800 676 H HN 0.298 nan 8.280 nan 0.000 0.586 677 G N 0.188 108.962 108.800 -0.043 0.000 2.498 677 G HA2 -0.202 3.767 3.960 0.014 0.000 0.219 677 G HA3 -0.202 3.767 3.960 0.014 0.000 0.219 677 G C 1.134 176.066 174.900 0.052 0.000 1.119 677 G CA 0.314 45.376 45.100 -0.064 0.000 0.766 677 G HN 0.323 nan 8.290 nan 0.000 0.552 678 D N 0.302 120.802 120.400 0.166 0.000 2.347 678 D HA 0.004 4.652 4.640 0.014 0.000 0.215 678 D C 1.653 178.082 176.300 0.216 0.000 0.976 678 D CA 0.716 54.837 54.000 0.203 0.000 0.884 678 D CB 0.123 41.098 40.800 0.292 0.000 0.915 678 D HN 0.317 nan 8.370 nan 0.000 0.526 679 K N 0.684 121.254 120.400 0.284 0.000 2.498 679 K HA 0.081 4.410 4.320 0.014 0.000 0.207 679 K C 1.549 178.308 176.600 0.264 0.000 1.033 679 K CA -0.150 56.309 56.287 0.286 0.000 1.138 679 K CB 0.569 33.351 32.500 0.470 0.000 0.860 679 K HN 0.086 nan 8.250 nan 0.000 0.490 680 K N -0.401 120.057 120.400 0.097 0.000 2.280 680 K HA -0.117 4.211 4.320 0.014 0.000 0.202 680 K C 0.652 177.232 176.600 -0.033 0.000 1.047 680 K CA 1.526 57.781 56.287 -0.053 0.000 0.942 680 K CB -0.126 32.300 32.500 -0.124 0.000 0.739 680 K HN 0.074 nan 8.250 nan 0.000 0.457 681 N N 0.978 119.673 118.700 -0.009 0.000 2.268 681 N HA 0.025 4.773 4.740 0.014 0.000 0.204 681 N C -0.828 174.631 175.510 -0.085 0.000 1.124 681 N CA -0.257 52.773 53.050 -0.033 0.000 0.838 681 N CB 0.414 38.887 38.487 -0.024 0.000 0.994 681 N HN 0.168 nan 8.380 nan 0.000 0.489 682 E N 1.427 121.517 120.200 -0.183 0.000 2.360 682 E HA 0.023 4.382 4.350 0.014 0.000 0.269 682 E C -1.484 174.811 176.600 -0.507 0.000 1.022 682 E CA -1.414 54.661 56.400 -0.540 0.000 0.887 682 E CB 0.800 29.709 29.700 -1.319 0.000 0.990 682 E HN 0.182 nan 8.360 nan 0.000 0.426 683 P HA -0.063 nan 4.420 nan 0.000 0.236 683 P C 0.933 178.211 177.300 -0.037 0.000 1.177 683 P CA 0.779 63.806 63.100 -0.122 0.000 0.773 683 P CB -0.010 31.675 31.700 -0.026 0.000 0.878 684 W N -2.344 118.952 121.300 -0.007 0.000 3.139 684 W HA 0.183 4.851 4.660 0.014 0.000 0.260 684 W C -0.273 176.276 176.519 0.050 0.000 1.312 684 W CA -1.037 56.287 57.345 -0.036 0.000 1.606 684 W CB -1.309 28.059 29.460 -0.153 0.000 1.118 684 W HN -0.203 nan 8.180 nan 0.000 0.675 685 W N 4.285 125.701 121.300 0.193 0.000 2.251 685 W HA 0.185 4.853 4.660 0.014 0.000 0.327 685 W C -1.722 175.017 176.519 0.368 0.000 1.361 685 W CA -1.508 56.041 57.345 0.340 0.000 1.234 685 W CB -0.088 29.419 29.460 0.077 0.000 1.212 685 W HN -0.381 nan 8.180 nan 0.000 0.557 686 P HA 0.014 nan 4.420 nan 0.000 0.268 686 P C -0.306 177.268 177.300 0.458 0.000 1.205 686 P CA -0.029 63.346 63.100 0.457 0.000 0.771 686 P CB 0.598 32.498 31.700 0.333 0.000 0.858 687 K N 1.622 122.169 120.400 0.244 0.000 2.102 687 K HA 0.380 4.709 4.320 0.014 0.000 0.244 687 K C 0.138 176.727 176.600 -0.018 0.000 1.021 687 K CA -0.525 55.864 56.287 0.169 0.000 0.913 687 K CB 0.306 32.874 32.500 0.114 0.000 1.062 687 K HN 0.294 nan 8.250 nan 0.000 0.485 688 M N 2.655 122.209 119.600 -0.076 0.000 2.999 688 M HA 0.099 4.588 4.480 0.014 0.000 0.206 688 M C -0.406 175.817 176.300 -0.128 0.000 1.111 688 M CA 0.162 55.321 55.300 -0.235 0.000 0.946 688 M CB 0.501 32.892 32.600 -0.348 0.000 1.330 688 M HN 0.383 nan 8.290 nan 0.000 0.533 689 Q N -0.528 119.222 119.800 -0.084 0.000 2.247 689 Q HA 0.350 4.698 4.340 0.014 0.000 0.211 689 Q C -0.194 175.760 176.000 -0.076 0.000 0.861 689 Q CA 0.270 56.038 55.803 -0.058 0.000 0.949 689 Q CB 1.267 29.996 28.738 -0.016 0.000 1.115 689 Q HN 0.403 nan 8.270 nan 0.000 0.507 690 T N -0.844 113.646 114.554 -0.107 0.000 2.932 690 T HA 0.335 4.693 4.350 0.014 0.000 0.318 690 T C 0.573 175.181 174.700 -0.153 0.000 1.265 690 T CA -0.545 61.496 62.100 -0.099 0.000 1.036 690 T CB 1.643 70.489 68.868 -0.036 0.000 1.209 690 T HN -0.063 nan 8.240 nan 0.000 0.484 691 R N 0.938 121.327 120.500 -0.185 0.000 2.096 691 R HA -0.039 4.309 4.340 0.014 0.000 0.235 691 R C 1.842 178.110 176.300 -0.053 0.000 1.127 691 R CA 1.135 57.085 56.100 -0.249 0.000 0.968 691 R CB 0.102 30.092 30.300 -0.518 0.000 0.861 691 R HN 0.563 nan 8.270 nan 0.000 0.440 692 E N 0.796 121.034 120.200 0.063 0.000 2.153 692 E HA -0.195 4.163 4.350 0.014 0.000 0.194 692 E C 1.697 178.328 176.600 0.051 0.000 0.988 692 E CA 1.143 57.614 56.400 0.117 0.000 0.811 692 E CB 0.048 29.833 29.700 0.142 0.000 0.746 692 E HN 0.490 nan 8.360 nan 0.000 0.466 693 E N 0.360 120.558 120.200 -0.003 0.000 2.107 693 E HA -0.136 4.222 4.350 0.014 0.000 0.191 693 E C 2.082 178.626 176.600 -0.093 0.000 0.982 693 E CA 0.329 56.713 56.400 -0.026 0.000 0.809 693 E CB -0.042 29.627 29.700 -0.052 0.000 0.756 693 E HN 0.042 nan 8.360 nan 0.000 0.459 694 L N 0.662 121.796 121.223 -0.149 0.000 2.093 694 L HA -0.132 4.217 4.340 0.014 0.000 0.208 694 L C 2.124 178.958 176.870 -0.061 0.000 1.085 694 L CA 1.234 55.972 54.840 -0.169 0.000 0.755 694 L CB -0.201 41.722 42.059 -0.226 0.000 0.904 694 L HN -0.069 nan 8.230 nan 0.000 0.435 695 V N -0.230 119.675 119.914 -0.016 0.000 2.287 695 V HA -0.303 3.825 4.120 0.014 0.000 0.248 695 V C 2.621 178.723 176.094 0.014 0.000 1.053 695 V CA 1.975 64.284 62.300 0.015 0.000 1.027 695 V CB -0.636 31.232 31.823 0.075 0.000 0.646 695 V HN 0.532 nan 8.190 nan 0.000 0.447 696 E N 0.461 120.691 120.200 0.050 0.000 2.051 696 E HA -0.192 4.166 4.350 0.014 0.000 0.192 696 E C 2.133 178.812 176.600 0.130 0.000 0.991 696 E CA 1.661 58.114 56.400 0.089 0.000 0.799 696 E CB -0.464 29.302 29.700 0.110 0.000 0.748 696 E HN 0.532 nan 8.360 nan 0.000 0.449 697 A N -0.377 122.550 122.820 0.178 0.000 1.930 697 A HA -0.166 4.163 4.320 0.014 0.000 0.217 697 A C 2.484 180.257 177.584 0.316 0.000 1.175 697 A CA 1.410 53.692 52.037 0.408 0.000 0.627 697 A CB -0.830 18.340 19.000 0.284 0.000 0.815 697 A HN 0.506 nan 8.150 nan 0.000 0.443 698 C N -1.198 118.178 119.300 0.127 0.000 2.457 698 C HA 0.183 4.651 4.460 0.014 0.000 0.278 698 C C 3.279 178.267 174.990 -0.002 0.000 1.309 698 C CA 0.527 59.580 59.018 0.060 0.000 1.735 698 C CB -1.146 26.583 27.740 -0.018 0.000 1.992 698 C HN 0.700 nan 8.230 nan 0.000 0.493 699 A N 0.585 123.380 122.820 -0.041 0.000 1.930 699 A HA -0.088 4.241 4.320 0.014 0.000 0.217 699 A C 1.960 179.580 177.584 0.059 0.000 1.175 699 A CA 1.430 53.380 52.037 -0.144 0.000 0.627 699 A CB -0.542 18.223 19.000 -0.391 0.000 0.815 699 A HN 0.604 nan 8.150 nan 0.000 0.443 700 I N -0.498 120.174 120.570 0.171 0.000 2.252 700 I HA -0.235 3.943 4.170 0.014 0.000 0.245 700 I C 2.242 178.495 176.117 0.227 0.000 1.102 700 I CA 1.133 62.560 61.300 0.210 0.000 1.385 700 I CB -0.317 37.548 38.000 -0.224 0.000 1.064 700 I HN 0.291 nan 8.210 nan 0.000 0.414 701 I N 0.750 121.423 120.570 0.172 0.000 2.142 701 I HA -0.304 3.875 4.170 0.014 0.000 0.240 701 I C 2.455 178.611 176.117 0.065 0.000 1.078 701 I CA 1.712 63.058 61.300 0.076 0.000 1.343 701 I CB -0.264 37.734 38.000 -0.003 0.000 1.046 701 I HN 0.119 nan 8.210 nan 0.000 0.405 702 I N -0.182 120.380 120.570 -0.013 0.000 2.226 702 I HA -0.327 3.851 4.170 0.014 0.000 0.245 702 I C 2.482 178.627 176.117 0.047 0.000 1.100 702 I CA 1.426 62.627 61.300 -0.164 0.000 1.374 702 I CB -0.565 37.212 38.000 -0.371 0.000 1.057 702 I HN 0.545 nan 8.210 nan 0.000 0.413 703 W N 2.227 123.551 121.300 0.041 0.000 2.321 703 W HA -0.257 4.413 4.660 0.016 0.000 0.306 703 W C 2.227 178.848 176.519 0.171 0.000 1.217 703 W CA 2.159 59.609 57.345 0.174 0.000 1.257 703 W CB -0.486 29.205 29.460 0.385 0.000 1.145 703 W HN 0.105 nan 8.180 nan 0.000 0.509 704 T N 1.338 115.978 114.554 0.143 0.000 2.746 704 T HA -0.124 4.235 4.350 0.014 0.000 0.267 704 T C 2.049 176.741 174.700 -0.013 0.000 1.039 704 T CA 2.198 64.326 62.100 0.047 0.000 1.142 704 T CB -0.642 68.342 68.868 0.192 0.000 0.866 704 T HN 0.249 nan 8.240 nan 0.000 0.444 705 A N 1.248 124.082 122.820 0.023 0.000 2.016 705 A HA 0.061 4.389 4.320 0.014 0.000 0.217 705 A C 2.374 179.982 177.584 0.040 0.000 1.162 705 A CA 1.582 53.631 52.037 0.021 0.000 0.662 705 A CB -0.343 18.715 19.000 0.098 0.000 0.812 705 A HN 0.578 nan 8.150 nan 0.000 0.450 706 S N -0.883 114.839 115.700 0.037 0.000 2.696 706 S HA 0.473 4.952 4.470 0.014 0.000 0.172 706 S C 2.133 176.730 174.600 -0.005 0.000 0.767 706 S CA 0.706 58.953 58.200 0.080 0.000 0.856 706 S CB -0.834 62.451 63.200 0.141 0.000 0.782 706 S HN 0.747 nan 8.310 nan 0.000 0.582 707 A N 1.211 123.925 122.820 -0.177 0.000 1.898 707 A HA 0.140 4.469 4.320 0.014 0.000 0.216 707 A C 2.282 179.574 177.584 -0.487 0.000 1.181 707 A CA 1.546 53.383 52.037 -0.333 0.000 0.620 707 A CB -1.093 17.636 19.000 -0.452 0.000 0.819 707 A HN 0.546 nan 8.150 nan 0.000 0.442 708 L N -0.595 120.126 121.223 -0.835 0.000 1.994 708 L HA -0.199 4.150 4.340 0.014 0.000 0.208 708 L C 2.442 179.255 176.870 -0.096 0.000 1.071 708 L CA 2.721 57.273 54.840 -0.480 0.000 0.745 708 L CB -0.839 40.945 42.059 -0.458 0.000 0.892 708 L HN 0.646 nan 8.230 nan 0.000 0.431 709 H N -0.500 118.489 119.070 -0.135 0.000 2.353 709 H HA -0.135 4.429 4.556 0.013 0.000 0.300 709 H C 1.903 177.269 175.328 0.064 0.000 1.090 709 H CA 1.545 57.568 56.048 -0.042 0.000 1.327 709 H CB 0.221 29.932 29.762 -0.085 0.000 1.383 709 H HN 0.483 nan 8.280 nan 0.000 0.508 710 A N 1.325 124.217 122.820 0.121 0.000 1.883 710 A HA -0.117 4.211 4.320 0.014 0.000 0.217 710 A C 2.730 180.420 177.584 0.177 0.000 1.186 710 A CA 1.950 54.162 52.037 0.291 0.000 0.624 710 A CB -1.168 18.012 19.000 0.299 0.000 0.822 710 A HN 0.577 nan 8.150 nan 0.000 0.444 711 A N -1.178 121.710 122.820 0.112 0.000 1.972 711 A HA 0.033 4.361 4.320 0.014 0.000 0.219 711 A C 2.077 179.747 177.584 0.142 0.000 1.169 711 A CA 1.853 53.991 52.037 0.168 0.000 0.635 711 A CB -0.539 18.661 19.000 0.332 0.000 0.810 711 A HN 0.464 nan 8.150 nan 0.000 0.446 712 V N -0.438 119.533 119.914 0.096 0.000 3.590 712 V HA -0.010 4.118 4.120 0.014 0.000 0.265 712 V C 1.894 178.113 176.094 0.208 0.000 1.239 712 V CA 1.599 64.005 62.300 0.177 0.000 1.117 712 V CB -0.157 31.755 31.823 0.148 0.000 0.818 712 V HN 0.726 nan 8.190 nan 0.000 0.451 713 N N -0.346 118.319 118.700 -0.059 0.000 2.508 713 N HA 0.075 4.823 4.740 0.014 0.000 0.186 713 N C 1.209 176.546 175.510 -0.289 0.000 1.034 713 N CA 0.780 53.669 53.050 -0.268 0.000 0.885 713 N CB 0.006 37.957 38.487 -0.893 0.000 1.135 713 N HN 0.287 nan 8.380 nan 0.000 0.435 714 F N -0.097 119.867 119.950 0.022 0.000 2.811 714 F HA 0.375 4.910 4.527 0.012 0.000 0.301 714 F C 2.007 177.904 175.800 0.161 0.000 1.151 714 F CA 0.319 58.339 58.000 0.033 0.000 1.412 714 F CB 0.058 39.029 39.000 -0.047 0.000 1.113 714 F HN 0.130 nan 8.300 nan 0.000 0.579 715 G N -1.027 107.975 108.800 0.337 0.000 3.042 715 G HA2 -0.027 3.942 3.960 0.014 0.000 0.212 715 G HA3 -0.027 3.942 3.960 0.014 0.000 0.212 715 G C 1.357 176.465 174.900 0.346 0.000 1.166 715 G CA -0.053 45.360 45.100 0.521 0.000 0.767 715 G HN 0.276 nan 8.290 nan 0.000 0.546 716 Q N -0.596 119.316 119.800 0.187 0.000 2.020 716 Q HA -0.159 4.189 4.340 0.014 0.000 0.202 716 Q C 2.009 178.071 176.000 0.104 0.000 0.982 716 Q CA 1.370 57.233 55.803 0.101 0.000 0.838 716 Q CB -0.223 28.549 28.738 0.056 0.000 0.899 716 Q HN 0.600 nan 8.270 nan 0.000 0.423 717 Y N 1.107 121.433 120.300 0.042 0.000 2.184 717 Y HA -0.088 4.473 4.550 0.018 0.000 0.290 717 Y C -0.887 174.976 175.900 -0.062 0.000 1.129 717 Y CA 1.151 59.254 58.100 0.004 0.000 1.144 717 Y CB -0.719 37.761 38.460 0.034 0.000 0.995 717 Y HN 0.078 nan 8.280 nan 0.000 0.513 718 P HA -0.179 nan 4.420 nan 0.000 0.218 718 P C 0.727 177.753 177.300 -0.457 0.000 1.148 718 P CA 1.910 64.847 63.100 -0.272 0.000 0.822 718 P CB -0.144 31.308 31.700 -0.412 0.000 0.784 719 Y N -1.425 118.770 120.300 -0.176 0.000 2.301 719 Y HA 0.256 4.815 4.550 0.015 0.000 0.295 719 Y C 2.556 178.310 175.900 -0.244 0.000 1.126 719 Y CA 1.468 59.461 58.100 -0.178 0.000 1.154 719 Y CB -0.913 37.496 38.460 -0.084 0.000 1.075 719 Y HN -0.112 nan 8.280 nan 0.000 0.534 720 G N -1.271 107.475 108.800 -0.090 0.000 3.277 720 G HA2 0.154 4.123 3.960 0.014 0.000 0.243 720 G HA3 0.154 4.123 3.960 0.014 0.000 0.243 720 G C 1.627 176.319 174.900 -0.346 0.000 1.107 720 G CA 0.427 45.411 45.100 -0.193 0.000 0.771 720 G HN 0.441 nan 8.290 nan 0.000 0.544 721 G N 0.095 108.537 108.800 -0.596 0.000 2.679 721 G HA2 0.053 4.021 3.960 0.014 0.000 0.212 721 G HA3 0.053 4.021 3.960 0.014 0.000 0.212 721 G C 0.569 175.106 174.900 -0.605 0.000 1.137 721 G CA -0.074 44.444 45.100 -0.971 0.000 0.787 721 G HN 0.375 nan 8.290 nan 0.000 0.534 722 L N 1.620 122.539 121.223 -0.507 0.000 2.255 722 L HA 0.336 4.685 4.340 0.014 0.000 0.289 722 L C 1.298 177.884 176.870 -0.473 0.000 1.046 722 L CA -0.674 53.896 54.840 -0.450 0.000 0.816 722 L CB 1.241 42.975 42.059 -0.543 0.000 1.197 722 L HN 0.018 nan 8.230 nan 0.000 0.427 723 I N 4.430 124.744 120.570 -0.426 0.000 2.423 723 I HA -0.253 3.926 4.170 0.014 0.000 0.254 723 I C 1.711 177.568 176.117 -0.433 0.000 1.151 723 I CA 1.411 62.483 61.300 -0.380 0.000 1.421 723 I CB 0.072 37.888 38.000 -0.307 0.000 1.079 723 I HN 0.615 nan 8.210 nan 0.000 0.431 724 L N 0.226 121.075 121.223 -0.624 0.000 2.141 724 L HA -0.181 4.167 4.340 0.014 0.000 0.209 724 L C 2.241 178.567 176.870 -0.907 0.000 1.094 724 L CA 1.641 56.020 54.840 -0.768 0.000 0.763 724 L CB -1.585 39.702 42.059 -1.285 0.000 0.908 724 L HN 0.459 nan 8.230 nan 0.000 0.437 725 N N -0.252 117.903 118.700 -0.908 0.000 2.290 725 N HA -0.065 4.683 4.740 0.014 0.000 0.179 725 N C 0.223 175.606 175.510 -0.211 0.000 1.016 725 N CA 0.408 53.138 53.050 -0.534 0.000 0.871 725 N CB 0.400 38.631 38.487 -0.426 0.000 0.987 725 N HN 0.108 nan 8.380 nan 0.000 0.431 726 R N 1.459 121.815 120.500 -0.240 0.000 2.585 726 R HA 0.374 4.722 4.340 0.014 0.000 0.278 726 R C -2.608 173.584 176.300 -0.181 0.000 1.663 726 R CA -1.629 54.379 56.100 -0.153 0.000 1.592 726 R CB 1.265 31.490 30.300 -0.125 0.000 1.200 726 R HN 0.303 nan 8.270 nan 0.000 0.611 727 P HA 0.045 nan 4.420 nan 0.000 0.271 727 P C 0.718 177.909 177.300 -0.182 0.000 1.218 727 P CA 0.134 63.109 63.100 -0.208 0.000 0.780 727 P CB 0.956 32.522 31.700 -0.224 0.000 0.901 728 T N -0.864 113.540 114.554 -0.249 0.000 3.001 728 T HA 0.340 4.698 4.350 0.014 0.000 0.251 728 T C 0.620 175.197 174.700 -0.205 0.000 1.040 728 T CA 0.078 62.001 62.100 -0.295 0.000 0.985 728 T CB -0.429 68.006 68.868 -0.722 0.000 1.011 728 T HN 0.439 nan 8.240 nan 0.000 0.509 729 L N -0.924 120.196 121.223 -0.172 0.000 2.568 729 L HA 0.923 5.272 4.340 0.014 0.000 0.257 729 L C -1.106 175.719 176.870 -0.076 0.000 1.024 729 L CA -1.103 53.682 54.840 -0.092 0.000 0.854 729 L CB 1.912 43.911 42.059 -0.099 0.000 1.460 729 L HN 0.054 nan 8.230 nan 0.000 0.409 730 S N -0.262 115.435 115.700 -0.005 0.000 2.568 730 S HA 0.800 5.279 4.470 0.014 0.000 0.293 730 S C -0.213 174.385 174.600 -0.002 0.000 1.089 730 S CA -0.875 57.331 58.200 0.010 0.000 0.945 730 S CB 2.016 65.314 63.200 0.164 0.000 1.077 730 S HN 0.869 nan 8.310 nan 0.000 0.485 731 R N 0.223 120.705 120.500 -0.030 0.000 2.566 731 R HA 0.437 4.785 4.340 0.014 0.000 0.388 731 R C 0.038 176.272 176.300 -0.110 0.000 0.989 731 R CA -0.524 55.528 56.100 -0.080 0.000 1.164 731 R CB 0.542 30.796 30.300 -0.076 0.000 1.459 731 R HN 0.405 nan 8.270 nan 0.000 0.553 732 R N 0.470 120.941 120.500 -0.050 0.000 2.668 732 R HA 0.379 4.727 4.340 0.014 0.000 0.272 732 R C -1.304 175.060 176.300 0.107 0.000 1.019 732 R CA -0.789 55.290 56.100 -0.035 0.000 0.894 732 R CB 1.603 31.937 30.300 0.057 0.000 1.228 732 R HN -0.156 nan 8.270 nan 0.000 0.460 733 F N 1.175 121.210 119.950 0.141 0.000 2.368 733 F HA 0.358 4.894 4.527 0.015 0.000 0.315 733 F C 1.047 177.013 175.800 0.278 0.000 1.145 733 F CA -1.030 57.060 58.000 0.151 0.000 1.095 733 F CB 0.472 39.518 39.000 0.078 0.000 1.286 733 F HN 0.350 nan 8.300 nan 0.000 0.530 734 M N 4.428 124.349 119.600 0.534 0.000 2.284 734 M HA 0.153 4.641 4.480 0.014 0.000 0.351 734 M C -2.243 174.250 176.300 0.322 0.000 1.443 734 M CA -1.309 54.208 55.300 0.363 0.000 1.031 734 M CB -0.322 32.400 32.600 0.203 0.000 1.893 734 M HN 0.128 nan 8.290 nan 0.000 0.456 735 P HA -0.010 nan 4.420 nan 0.000 0.264 735 P C -1.091 176.420 177.300 0.351 0.000 1.193 735 P CA 0.124 63.406 63.100 0.303 0.000 0.763 735 P CB 0.158 32.028 31.700 0.284 0.000 0.810 736 E N 3.293 123.647 120.200 0.257 0.000 2.283 736 E HA 0.051 4.409 4.350 0.014 0.000 0.278 736 E C 0.738 177.330 176.600 -0.014 0.000 1.027 736 E CA -0.648 55.843 56.400 0.152 0.000 0.843 736 E CB 0.670 30.444 29.700 0.124 0.000 1.062 736 E HN 0.259 nan 8.360 nan 0.000 0.401 737 K N 2.406 122.689 120.400 -0.195 0.000 2.207 737 K HA -0.184 4.145 4.320 0.014 0.000 0.208 737 K C 0.762 176.886 176.600 -0.793 0.000 1.046 737 K CA 1.745 57.624 56.287 -0.679 0.000 0.929 737 K CB -0.191 32.118 32.500 -0.320 0.000 0.720 737 K HN 0.621 nan 8.250 nan 0.000 0.463 738 G N 0.036 108.646 108.800 -0.316 0.000 5.001 738 G HA2 0.259 4.228 3.960 0.014 0.000 0.304 738 G HA3 0.259 4.228 3.960 0.014 0.000 0.304 738 G C -0.836 174.051 174.900 -0.023 0.000 1.400 738 G CA -0.363 44.638 45.100 -0.165 0.000 1.029 738 G HN 0.019 nan 8.290 nan 0.000 0.584 739 S N -1.009 114.723 115.700 0.053 0.000 2.810 739 S HA 0.707 5.186 4.470 0.014 0.000 0.315 739 S C 1.521 176.208 174.600 0.144 0.000 1.138 739 S CA 0.272 58.533 58.200 0.102 0.000 0.889 739 S CB 1.469 64.732 63.200 0.105 0.000 1.236 739 S HN 0.541 nan 8.310 nan 0.000 0.548 740 A N 0.846 123.733 122.820 0.112 0.000 2.014 740 A HA -0.023 4.305 4.320 0.014 0.000 0.218 740 A C 1.636 179.286 177.584 0.110 0.000 1.163 740 A CA 1.268 53.364 52.037 0.099 0.000 0.652 740 A CB -0.474 18.570 19.000 0.072 0.000 0.808 740 A HN 0.781 nan 8.150 nan 0.000 0.449 741 E N -1.487 118.793 120.200 0.134 0.000 2.230 741 E HA -0.144 4.215 4.350 0.014 0.000 0.192 741 E C 1.705 178.394 176.600 0.150 0.000 0.987 741 E CA 0.900 57.377 56.400 0.128 0.000 0.841 741 E CB -0.559 29.223 29.700 0.137 0.000 0.783 741 E HN 0.769 nan 8.360 nan 0.000 0.481 742 Y N 1.851 122.192 120.300 0.068 0.000 2.263 742 Y HA -0.123 4.436 4.550 0.015 0.000 0.292 742 Y C 2.265 178.196 175.900 0.051 0.000 1.130 742 Y CA 1.451 59.591 58.100 0.066 0.000 1.179 742 Y CB 0.333 38.836 38.460 0.070 0.000 0.998 742 Y HN -0.082 nan 8.280 nan 0.000 0.532 743 E N 0.445 120.756 120.200 0.185 0.000 2.158 743 E HA -0.166 4.193 4.350 0.014 0.000 0.191 743 E C 1.965 178.586 176.600 0.034 0.000 0.982 743 E CA 1.038 57.502 56.400 0.107 0.000 0.823 743 E CB -0.133 29.632 29.700 0.108 0.000 0.766 743 E HN 0.623 nan 8.360 nan 0.000 0.468 744 E N -0.185 120.035 120.200 0.034 0.000 2.107 744 E HA -0.111 4.248 4.350 0.014 0.000 0.191 744 E C 1.978 178.561 176.600 -0.029 0.000 0.982 744 E CA 0.412 56.818 56.400 0.010 0.000 0.809 744 E CB -0.028 29.688 29.700 0.027 0.000 0.756 744 E HN 0.223 nan 8.360 nan 0.000 0.459 745 L N 0.787 121.969 121.223 -0.068 0.000 2.131 745 L HA -0.143 4.205 4.340 0.014 0.000 0.210 745 L C 2.510 179.287 176.870 -0.156 0.000 1.092 745 L CA 1.238 56.000 54.840 -0.130 0.000 0.759 745 L CB -0.301 41.617 42.059 -0.235 0.000 0.903 745 L HN 0.210 nan 8.230 nan 0.000 0.435 746 R N -0.164 120.242 120.500 -0.156 0.000 2.066 746 R HA -0.160 4.189 4.340 0.014 0.000 0.232 746 R C 2.162 178.425 176.300 -0.062 0.000 1.131 746 R CA 1.341 57.377 56.100 -0.106 0.000 0.955 746 R CB 0.040 30.309 30.300 -0.053 0.000 0.851 746 R HN 0.355 nan 8.270 nan 0.000 0.432 747 K N -0.811 119.564 120.400 -0.043 0.000 2.166 747 K HA 0.009 4.337 4.320 0.014 0.000 0.201 747 K C 0.630 177.206 176.600 -0.041 0.000 1.052 747 K CA 0.502 56.771 56.287 -0.030 0.000 0.969 747 K CB 0.249 32.743 32.500 -0.011 0.000 0.761 747 K HN -0.072 nan 8.250 nan 0.000 0.459 748 N N 0.087 118.759 118.700 -0.047 0.000 2.726 748 N HA 0.133 4.882 4.740 0.014 0.000 0.253 748 N C -2.490 172.977 175.510 -0.071 0.000 1.530 748 N CA -1.754 51.261 53.050 -0.058 0.000 0.772 748 N CB 1.110 39.578 38.487 -0.032 0.000 1.220 748 N HN -0.175 nan 8.380 nan 0.000 0.508 749 P HA -0.109 nan 4.420 nan 0.000 0.221 749 P C 1.019 178.251 177.300 -0.113 0.000 1.150 749 P CA 1.012 64.055 63.100 -0.095 0.000 0.800 749 P CB 0.727 32.355 31.700 -0.119 0.000 0.787 750 Q N 0.173 119.818 119.800 -0.259 0.000 2.050 750 Q HA -0.188 4.160 4.340 0.014 0.000 0.202 750 Q C 2.308 178.275 176.000 -0.055 0.000 0.980 750 Q CA 1.585 57.117 55.803 -0.453 0.000 0.840 750 Q CB -0.361 27.946 28.738 -0.718 0.000 0.898 750 Q HN 0.085 nan 8.270 nan 0.000 0.424 751 K N 0.970 121.360 120.400 -0.016 0.000 2.097 751 K HA -0.083 4.246 4.320 0.014 0.000 0.205 751 K C 1.772 178.424 176.600 0.086 0.000 1.050 751 K CA 1.367 57.693 56.287 0.064 0.000 0.938 751 K CB -0.432 32.091 32.500 0.038 0.000 0.718 751 K HN 0.177 nan 8.250 nan 0.000 0.442 752 A N -0.379 122.479 122.820 0.062 0.000 1.902 752 A HA -0.168 4.160 4.320 0.014 0.000 0.217 752 A C 2.217 179.867 177.584 0.110 0.000 1.181 752 A CA 1.597 53.675 52.037 0.069 0.000 0.623 752 A CB -1.010 18.014 19.000 0.040 0.000 0.818 752 A HN 0.511 nan 8.150 nan 0.000 0.443 753 Y N -0.085 120.239 120.300 0.041 0.000 2.145 753 Y HA -0.180 4.378 4.550 0.013 0.000 0.286 753 Y C 2.037 178.000 175.900 0.104 0.000 1.145 753 Y CA 1.664 59.818 58.100 0.091 0.000 1.148 753 Y CB -0.186 38.419 38.460 0.242 0.000 0.981 753 Y HN 0.202 nan 8.280 nan 0.000 0.507 754 L N 1.281 122.680 121.223 0.292 0.000 2.083 754 L HA -0.228 4.121 4.340 0.014 0.000 0.209 754 L C 2.295 179.209 176.870 0.073 0.000 1.083 754 L CA 2.140 57.105 54.840 0.208 0.000 0.752 754 L CB -1.247 40.986 42.059 0.290 0.000 0.899 754 L HN 0.420 nan 8.230 nan 0.000 0.433 755 K N -2.501 117.930 120.400 0.051 0.000 2.486 755 K HA -0.000 4.328 4.320 0.014 0.000 0.194 755 K C 1.488 178.066 176.600 -0.035 0.000 1.033 755 K CA 0.939 57.232 56.287 0.010 0.000 1.004 755 K CB -0.324 32.190 32.500 0.023 0.000 0.798 755 K HN 0.144 nan 8.250 nan 0.000 0.495 756 T N 2.147 116.650 114.554 -0.086 0.000 2.937 756 T HA 0.091 4.449 4.350 0.014 0.000 0.260 756 T C 1.337 175.923 174.700 -0.189 0.000 1.051 756 T CA 0.638 62.659 62.100 -0.132 0.000 1.141 756 T CB -0.205 68.530 68.868 -0.221 0.000 0.879 756 T HN 0.404 nan 8.240 nan 0.000 0.459 757 I N -0.320 120.098 120.570 -0.254 0.000 3.640 757 I HA 0.408 4.587 4.170 0.014 0.000 0.288 757 I C -0.003 176.021 176.117 -0.156 0.000 1.248 757 I CA -1.104 60.044 61.300 -0.254 0.000 0.911 757 I CB -0.009 37.774 38.000 -0.362 0.000 1.533 757 I HN -0.229 nan 8.210 nan 0.000 0.686 758 T N 3.175 117.629 114.554 -0.165 0.000 2.819 758 T HA 0.075 4.434 4.350 0.014 0.000 0.282 758 T C -2.183 172.454 174.700 -0.105 0.000 1.013 758 T CA -0.180 61.826 62.100 -0.155 0.000 1.159 758 T CB -0.653 68.093 68.868 -0.202 0.000 1.007 758 T HN 0.470 nan 8.240 nan 0.000 0.514 759 P HA 0.152 nan 4.420 nan 0.000 0.271 759 P C 0.976 178.133 177.300 -0.238 0.000 1.233 759 P CA -0.635 62.374 63.100 -0.153 0.000 0.789 759 P CB 0.683 32.288 31.700 -0.158 0.000 0.951 760 K N 0.954 121.087 120.400 -0.444 0.000 2.032 760 K HA -0.212 4.117 4.320 0.014 0.000 0.209 760 K C 1.834 178.118 176.600 -0.526 0.000 1.048 760 K CA 1.569 57.427 56.287 -0.714 0.000 0.927 760 K CB -0.615 31.283 32.500 -1.002 0.000 0.712 760 K HN 0.340 nan 8.250 nan 0.000 0.441 761 F N 1.914 121.319 119.950 -0.908 0.000 2.095 761 F HA -0.225 4.309 4.527 0.012 0.000 0.298 761 F C 2.022 177.563 175.800 -0.432 0.000 1.104 761 F CA 1.868 59.283 58.000 -0.975 0.000 1.232 761 F CB -0.325 38.003 39.000 -1.120 0.000 0.987 761 F HN 0.128 nan 8.300 nan 0.000 0.475 762 Q N -0.433 119.031 119.800 -0.560 0.000 2.311 762 Q HA -0.059 4.289 4.340 0.014 0.000 0.203 762 Q C 2.122 177.871 176.000 -0.419 0.000 0.954 762 Q CA 1.611 57.081 55.803 -0.555 0.000 0.885 762 Q CB -0.470 28.071 28.738 -0.328 0.000 0.963 762 Q HN 0.354 nan 8.270 nan 0.000 0.471 763 T N 0.549 114.914 114.554 -0.315 0.000 2.720 763 T HA -0.106 4.252 4.350 0.014 0.000 0.268 763 T C 1.551 176.100 174.700 -0.253 0.000 1.037 763 T CA 0.916 62.883 62.100 -0.223 0.000 1.144 763 T CB -0.141 68.715 68.868 -0.020 0.000 0.864 763 T HN 0.221 nan 8.240 nan 0.000 0.444 764 L N 0.125 121.191 121.223 -0.261 0.000 2.093 764 L HA 0.005 4.353 4.340 0.014 0.000 0.208 764 L C 2.406 179.188 176.870 -0.147 0.000 1.085 764 L CA 1.059 55.794 54.840 -0.176 0.000 0.755 764 L CB -0.554 41.490 42.059 -0.026 0.000 0.904 764 L HN 0.307 nan 8.230 nan 0.000 0.435 765 I N 0.093 120.474 120.570 -0.316 0.000 2.163 765 I HA -0.316 3.863 4.170 0.014 0.000 0.240 765 I C 2.296 178.338 176.117 -0.125 0.000 1.081 765 I CA 1.641 62.799 61.300 -0.237 0.000 1.353 765 I CB -0.398 37.362 38.000 -0.400 0.000 1.054 765 I HN 0.274 nan 8.210 nan 0.000 0.407 766 D N 1.140 121.422 120.400 -0.198 0.000 2.106 766 D HA -0.222 4.427 4.640 0.014 0.000 0.191 766 D C 2.037 178.311 176.300 -0.044 0.000 0.997 766 D CA 1.671 55.577 54.000 -0.156 0.000 0.834 766 D CB -0.021 40.616 40.800 -0.272 0.000 0.956 766 D HN 0.031 nan 8.370 nan 0.000 0.448 767 L N 0.304 121.484 121.223 -0.071 0.000 2.046 767 L HA -0.104 4.244 4.340 0.014 0.000 0.208 767 L C 2.641 179.678 176.870 0.279 0.000 1.077 767 L CA 1.458 56.321 54.840 0.039 0.000 0.747 767 L CB -0.868 41.002 42.059 -0.315 0.000 0.896 767 L HN 0.019 nan 8.230 nan 0.000 0.432 768 S N -1.309 114.575 115.700 0.307 0.000 2.368 768 S HA -0.147 4.332 4.470 0.014 0.000 0.225 768 S C 2.049 176.791 174.600 0.236 0.000 1.030 768 S CA 1.324 59.780 58.200 0.428 0.000 0.999 768 S CB -0.321 63.147 63.200 0.447 0.000 0.844 768 S HN 0.236 nan 8.310 nan 0.000 0.459 769 V N 2.922 122.926 119.914 0.149 0.000 2.323 769 V HA -0.106 4.023 4.120 0.014 0.000 0.244 769 V C 2.157 178.315 176.094 0.106 0.000 1.041 769 V CA 1.696 64.055 62.300 0.099 0.000 1.025 769 V CB -0.743 31.120 31.823 0.067 0.000 0.656 769 V HN 0.658 nan 8.190 nan 0.000 0.451 770 I N -1.862 118.789 120.570 0.135 0.000 2.928 770 I HA -0.059 4.120 4.170 0.014 0.000 0.266 770 I C 2.173 178.409 176.117 0.199 0.000 1.234 770 I CA 1.481 62.870 61.300 0.149 0.000 1.483 770 I CB -0.426 37.663 38.000 0.149 0.000 1.097 770 I HN 0.328 nan 8.210 nan 0.000 0.455 771 E N 1.950 122.264 120.200 0.190 0.000 2.072 771 E HA -0.147 4.211 4.350 0.014 0.000 0.190 771 E C 2.263 178.855 176.600 -0.014 0.000 0.982 771 E CA 1.247 57.627 56.400 -0.033 0.000 0.803 771 E CB -0.004 29.592 29.700 -0.173 0.000 0.755 771 E HN 0.643 nan 8.360 nan 0.000 0.453 772 I N 0.765 121.351 120.570 0.028 0.000 2.179 772 I HA -0.277 3.902 4.170 0.014 0.000 0.242 772 I C 2.206 178.353 176.117 0.051 0.000 1.088 772 I CA 0.570 61.884 61.300 0.024 0.000 1.357 772 I CB -0.127 37.885 38.000 0.019 0.000 1.051 772 I HN 0.188 nan 8.210 nan 0.000 0.409 773 L N 0.112 121.369 121.223 0.057 0.000 2.191 773 L HA -0.125 4.223 4.340 0.014 0.000 0.212 773 L C 2.138 178.997 176.870 -0.019 0.000 1.103 773 L CA 1.616 56.481 54.840 0.041 0.000 0.769 773 L CB -0.771 41.306 42.059 0.029 0.000 0.908 773 L HN 0.108 nan 8.230 nan 0.000 0.438 774 S N -1.449 114.279 115.700 0.046 0.000 2.597 774 S HA 0.161 4.640 4.470 0.014 0.000 0.224 774 S C 0.804 175.532 174.600 0.214 0.000 0.955 774 S CA -0.249 58.022 58.200 0.118 0.000 0.933 774 S CB -0.045 63.261 63.200 0.178 0.000 0.788 774 S HN 0.240 nan 8.310 nan 0.000 0.488 775 R N 1.763 122.356 120.500 0.155 0.000 2.474 775 R HA 0.278 4.627 4.340 0.014 0.000 0.295 775 R C -0.913 175.459 176.300 0.119 0.000 0.980 775 R CA -0.523 55.639 56.100 0.103 0.000 0.934 775 R CB 0.499 30.839 30.300 0.067 0.000 1.101 775 R HN 0.250 nan 8.270 nan 0.000 0.469 776 H N 1.778 120.941 119.070 0.154 0.000 2.527 776 H HA 0.246 4.810 4.556 0.013 0.000 0.321 776 H C 0.013 175.367 175.328 0.042 0.000 1.087 776 H CA -0.264 55.832 56.048 0.080 0.000 1.337 776 H CB 1.621 31.401 29.762 0.029 0.000 1.440 776 H HN 0.736 nan 8.280 nan 0.000 0.490 777 A N 2.620 125.515 122.820 0.125 0.000 2.448 777 A HA 0.021 4.349 4.320 0.014 0.000 0.239 777 A C 1.596 179.197 177.584 0.027 0.000 1.080 777 A CA 0.093 52.137 52.037 0.011 0.000 0.779 777 A CB 0.293 19.241 19.000 -0.088 0.000 1.026 777 A HN 0.811 nan 8.150 nan 0.000 0.499 778 S N -0.037 115.665 115.700 0.003 0.000 2.382 778 S HA -0.136 4.343 4.470 0.014 0.000 0.228 778 S C 1.126 175.735 174.600 0.016 0.000 1.027 778 S CA 1.724 59.936 58.200 0.020 0.000 0.991 778 S CB -0.327 62.880 63.200 0.013 0.000 0.823 778 S HN 0.894 nan 8.310 nan 0.000 0.469 779 D N 0.417 120.816 120.400 -0.001 0.000 2.427 779 D HA 0.146 4.795 4.640 0.014 0.000 0.224 779 D C 0.132 176.392 176.300 -0.067 0.000 1.157 779 D CA -0.250 53.748 54.000 -0.003 0.000 0.828 779 D CB -0.523 40.300 40.800 0.039 0.000 0.974 779 D HN 0.172 nan 8.370 nan 0.000 0.498 780 E N 0.180 120.306 120.200 -0.123 0.000 2.502 780 E HA 0.095 4.453 4.350 0.014 0.000 0.261 780 E C -0.757 175.578 176.600 -0.443 0.000 0.974 780 E CA 0.084 56.282 56.400 -0.336 0.000 0.936 780 E CB 0.744 30.130 29.700 -0.523 0.000 0.926 780 E HN -0.015 nan 8.360 nan 0.000 0.459 781 V N 6.234 125.865 119.914 -0.472 0.000 2.334 781 V HA 0.231 4.359 4.120 0.014 0.000 0.281 781 V C -0.700 175.137 176.094 -0.428 0.000 1.016 781 V CA -0.647 61.451 62.300 -0.337 0.000 0.832 781 V CB 0.091 31.773 31.823 -0.235 0.000 0.999 781 V HN 0.586 nan 8.190 nan 0.000 0.439 782 Y N 2.973 123.199 120.300 -0.123 0.000 2.326 782 Y HA 0.473 5.030 4.550 0.013 0.000 0.324 782 Y C 0.354 176.195 175.900 -0.098 0.000 1.291 782 Y CA -0.929 57.092 58.100 -0.131 0.000 1.348 782 Y CB 0.860 39.211 38.460 -0.181 0.000 1.294 782 Y HN 0.492 nan 8.280 nan 0.000 0.525 783 L N 2.026 123.309 121.223 0.101 0.000 2.584 783 L HA 0.259 4.608 4.340 0.014 0.000 0.272 783 L C 0.816 177.616 176.870 -0.117 0.000 1.195 783 L CA 1.888 56.763 54.840 0.058 0.000 0.920 783 L CB -0.500 41.607 42.059 0.080 0.000 1.173 783 L HN 0.924 nan 8.230 nan 0.000 0.489 784 G N 3.088 111.807 108.800 -0.136 0.000 3.151 784 G HA2 -0.215 3.753 3.960 0.014 0.000 0.197 784 G HA3 -0.215 3.753 3.960 0.014 0.000 0.197 784 G C 0.741 175.236 174.900 -0.675 0.000 1.682 784 G CA 0.212 44.942 45.100 -0.618 0.000 1.205 784 G HN 0.623 nan 8.290 nan 0.000 0.510 785 E N 1.409 121.359 120.200 -0.417 0.000 2.431 785 E HA 0.152 4.510 4.350 0.014 0.000 0.200 785 E C 0.675 177.251 176.600 -0.040 0.000 0.995 785 E CA -0.096 56.040 56.400 -0.440 0.000 0.915 785 E CB 0.326 29.863 29.700 -0.271 0.000 0.930 785 E HN 0.553 nan 8.360 nan 0.000 0.496 786 R N 1.498 122.036 120.500 0.063 0.000 2.294 786 R HA 0.374 4.723 4.340 0.014 0.000 0.319 786 R C -1.046 175.334 176.300 0.134 0.000 0.984 786 R CA -0.454 55.712 56.100 0.111 0.000 0.861 786 R CB 1.140 31.461 30.300 0.035 0.000 1.104 786 R HN -0.033 nan 8.270 nan 0.000 0.451 787 D N 0.102 120.549 120.400 0.078 0.000 2.493 787 D HA 0.218 4.866 4.640 0.014 0.000 0.239 787 D C 0.676 176.968 176.300 -0.014 0.000 1.049 787 D CA -0.714 53.218 54.000 -0.113 0.000 1.008 787 D CB 1.221 41.795 40.800 -0.377 0.000 1.398 787 D HN 0.341 nan 8.370 nan 0.000 0.513 788 N N -0.382 118.308 118.700 -0.017 0.000 2.020 788 N HA -0.129 4.619 4.740 0.014 0.000 0.199 788 N C -1.401 174.179 175.510 0.116 0.000 1.059 788 N CA 1.506 54.596 53.050 0.067 0.000 0.877 788 N CB -0.217 38.339 38.487 0.115 0.000 1.078 788 N HN 0.421 nan 8.380 nan 0.000 0.452 789 P HA 0.182 nan 4.420 nan 0.000 0.311 789 P C -1.430 176.050 177.300 0.299 0.000 1.022 789 P CA -0.448 62.764 63.100 0.186 0.000 0.657 789 P CB 0.467 32.254 31.700 0.145 0.000 1.606 790 N N 1.315 120.132 118.700 0.195 0.000 2.605 790 N HA 0.060 4.809 4.740 0.014 0.000 0.258 790 N C 0.533 176.069 175.510 0.044 0.000 1.156 790 N CA -0.290 52.813 53.050 0.088 0.000 1.008 790 N CB 0.108 38.542 38.487 -0.088 0.000 1.354 790 N HN 0.444 nan 8.380 nan 0.000 0.509 791 W N 1.305 122.604 121.300 -0.001 0.000 2.863 791 W HA 0.152 4.821 4.660 0.015 0.000 0.258 791 W C 0.187 176.714 176.519 0.014 0.000 1.298 791 W CA 0.014 57.370 57.345 0.018 0.000 1.451 791 W CB -0.211 29.252 29.460 0.005 0.000 1.107 791 W HN 0.116 nan 8.180 nan 0.000 0.641 792 T N 0.473 114.705 114.554 -0.538 0.000 2.868 792 T HA 0.268 4.627 4.350 0.014 0.000 0.306 792 T C 0.561 175.005 174.700 -0.426 0.000 1.224 792 T CA 0.164 61.986 62.100 -0.463 0.000 1.012 792 T CB 1.642 70.154 68.868 -0.593 0.000 1.221 792 T HN -0.060 nan 8.240 nan 0.000 0.499 793 S N 1.248 116.775 115.700 -0.288 0.000 2.540 793 S HA 0.195 4.674 4.470 0.014 0.000 0.218 793 S C 0.275 174.756 174.600 -0.199 0.000 0.977 793 S CA -0.231 57.831 58.200 -0.230 0.000 0.918 793 S CB -0.013 63.089 63.200 -0.164 0.000 0.806 793 S HN 0.671 nan 8.310 nan 0.000 0.496 794 D N 3.314 123.587 120.400 -0.212 0.000 2.344 794 D HA 0.131 4.780 4.640 0.014 0.000 0.253 794 D C 1.465 177.680 176.300 -0.141 0.000 1.255 794 D CA 0.394 54.306 54.000 -0.146 0.000 0.894 794 D CB 1.421 42.174 40.800 -0.078 0.000 1.067 794 D HN 0.355 nan 8.370 nan 0.000 0.492 795 T N 1.762 116.252 114.554 -0.106 0.000 2.995 795 T HA -0.106 4.252 4.350 0.014 0.000 0.269 795 T C 1.670 176.356 174.700 -0.024 0.000 1.091 795 T CA 0.650 62.708 62.100 -0.070 0.000 1.128 795 T CB 0.025 68.859 68.868 -0.056 0.000 0.891 795 T HN 0.337 nan 8.240 nan 0.000 0.492 796 R N 1.388 121.864 120.500 -0.040 0.000 2.092 796 R HA 0.258 4.607 4.340 0.014 0.000 0.231 796 R C 2.928 179.271 176.300 0.073 0.000 1.119 796 R CA 1.250 57.342 56.100 -0.013 0.000 0.970 796 R CB -0.650 29.598 30.300 -0.087 0.000 0.864 796 R HN 0.509 nan 8.270 nan 0.000 0.440 797 A N 0.937 123.805 122.820 0.080 0.000 1.929 797 A HA -0.064 4.265 4.320 0.014 0.000 0.216 797 A C 1.935 179.789 177.584 0.451 0.000 1.176 797 A CA 0.886 53.112 52.037 0.316 0.000 0.628 797 A CB -0.217 18.967 19.000 0.306 0.000 0.816 797 A HN 0.077 nan 8.150 nan 0.000 0.444 798 L N -0.257 121.077 121.223 0.186 0.000 2.056 798 L HA -0.093 4.256 4.340 0.014 0.000 0.207 798 L C 2.312 179.362 176.870 0.300 0.000 1.078 798 L CA 2.196 57.170 54.840 0.223 0.000 0.749 798 L CB -1.173 40.897 42.059 0.017 0.000 0.901 798 L HN 0.520 nan 8.230 nan 0.000 0.433 799 E N -0.754 119.571 120.200 0.209 0.000 2.072 799 E HA -0.121 4.238 4.350 0.014 0.000 0.191 799 E C 2.242 178.983 176.600 0.236 0.000 0.985 799 E CA 1.173 57.677 56.400 0.173 0.000 0.801 799 E CB -0.053 29.713 29.700 0.110 0.000 0.750 799 E HN 0.405 nan 8.360 nan 0.000 0.452 800 A N -0.086 122.943 122.820 0.349 0.000 1.930 800 A HA -0.143 4.185 4.320 0.014 0.000 0.217 800 A C 2.031 179.914 177.584 0.498 0.000 1.175 800 A CA 1.115 53.428 52.037 0.461 0.000 0.627 800 A CB -0.780 18.570 19.000 0.584 0.000 0.815 800 A HN 0.442 nan 8.150 nan 0.000 0.443 801 F N 0.610 120.752 119.950 0.321 0.000 2.171 801 F HA -0.082 4.453 4.527 0.014 0.000 0.300 801 F C 2.148 177.937 175.800 -0.019 0.000 1.090 801 F CA 1.682 59.602 58.000 -0.135 0.000 1.293 801 F CB -0.016 39.070 39.000 0.142 0.000 1.013 801 F HN 0.052 nan 8.300 nan 0.000 0.486 802 K N 0.016 120.437 120.400 0.034 0.000 2.097 802 K HA -0.158 4.171 4.320 0.014 0.000 0.205 802 K C 2.327 178.870 176.600 -0.094 0.000 1.050 802 K CA 0.953 57.191 56.287 -0.081 0.000 0.938 802 K CB -0.281 32.237 32.500 0.030 0.000 0.718 802 K HN 0.232 nan 8.250 nan 0.000 0.442 803 R N -0.208 120.299 120.500 0.013 0.000 2.120 803 R HA -0.142 4.207 4.340 0.014 0.000 0.234 803 R C 2.163 178.485 176.300 0.036 0.000 1.123 803 R CA 1.209 57.334 56.100 0.042 0.000 0.975 803 R CB -0.240 30.131 30.300 0.120 0.000 0.866 803 R HN 0.102 nan 8.270 nan 0.000 0.446 804 F N 0.064 119.885 119.950 -0.215 0.000 2.113 804 F HA 0.045 4.581 4.527 0.014 0.000 0.297 804 F C 1.997 177.591 175.800 -0.343 0.000 1.103 804 F CA 1.702 59.522 58.000 -0.300 0.000 1.248 804 F CB -0.969 37.658 39.000 -0.621 0.000 0.999 804 F HN 0.009 nan 8.300 nan 0.000 0.475 805 G N 0.379 108.831 108.800 -0.580 0.000 2.418 805 G HA2 -0.305 3.664 3.960 0.014 0.000 0.217 805 G HA3 -0.305 3.664 3.960 0.014 0.000 0.217 805 G C 1.672 176.358 174.900 -0.356 0.000 1.158 805 G CA 0.860 45.605 45.100 -0.593 0.000 0.771 805 G HN 0.437 nan 8.290 nan 0.000 0.545 806 N N 0.314 118.874 118.700 -0.233 0.000 2.120 806 N HA -0.125 4.624 4.740 0.014 0.000 0.188 806 N C 2.192 177.629 175.510 -0.122 0.000 1.024 806 N CA 1.363 54.326 53.050 -0.144 0.000 0.852 806 N CB -0.082 38.354 38.487 -0.085 0.000 1.003 806 N HN 0.243 nan 8.380 nan 0.000 0.424 807 K N 0.981 121.316 120.400 -0.109 0.000 2.097 807 K HA -0.072 4.256 4.320 0.014 0.000 0.206 807 K C 1.838 178.370 176.600 -0.112 0.000 1.049 807 K CA 0.763 57.011 56.287 -0.065 0.000 0.933 807 K CB -0.167 32.344 32.500 0.019 0.000 0.717 807 K HN -0.020 nan 8.250 nan 0.000 0.442 808 L N 0.422 121.507 121.223 -0.230 0.000 2.072 808 L HA 0.069 4.417 4.340 0.014 0.000 0.205 808 L C 2.276 179.038 176.870 -0.180 0.000 1.079 808 L CA 1.970 56.662 54.840 -0.247 0.000 0.752 808 L CB -1.294 40.502 42.059 -0.440 0.000 0.906 808 L HN 0.294 nan 8.230 nan 0.000 0.436 809 A N -1.351 121.360 122.820 -0.182 0.000 1.972 809 A HA -0.268 4.060 4.320 0.014 0.000 0.219 809 A C 2.290 179.817 177.584 -0.095 0.000 1.169 809 A CA 1.699 53.654 52.037 -0.137 0.000 0.635 809 A CB -0.500 18.420 19.000 -0.133 0.000 0.810 809 A HN 0.536 nan 8.150 nan 0.000 0.446 810 Q N -0.498 119.253 119.800 -0.081 0.000 2.079 810 Q HA -0.097 4.251 4.340 0.014 0.000 0.200 810 Q C 1.891 177.868 176.000 -0.038 0.000 0.974 810 Q CA 1.547 57.319 55.803 -0.051 0.000 0.840 810 Q CB -0.205 28.509 28.738 -0.040 0.000 0.898 810 Q HN 0.708 nan 8.270 nan 0.000 0.430 811 I N 0.489 121.034 120.570 -0.042 0.000 2.252 811 I HA -0.243 3.935 4.170 0.014 0.000 0.245 811 I C 2.381 178.481 176.117 -0.029 0.000 1.102 811 I CA 1.195 62.483 61.300 -0.019 0.000 1.385 811 I CB -0.244 37.750 38.000 -0.010 0.000 1.064 811 I HN 0.363 nan 8.210 nan 0.000 0.414 812 E N 1.428 121.592 120.200 -0.059 0.000 2.070 812 E HA -0.286 4.073 4.350 0.014 0.000 0.197 812 E C 1.827 178.399 176.600 -0.046 0.000 1.004 812 E CA 2.047 58.407 56.400 -0.066 0.000 0.805 812 E CB -0.096 29.544 29.700 -0.100 0.000 0.744 812 E HN 0.550 nan 8.360 nan 0.000 0.451 813 N N 0.001 118.675 118.700 -0.042 0.000 2.120 813 N HA -0.186 4.563 4.740 0.014 0.000 0.188 813 N C 1.913 177.416 175.510 -0.012 0.000 1.024 813 N CA 1.026 54.059 53.050 -0.028 0.000 0.852 813 N CB -0.124 38.345 38.487 -0.030 0.000 1.003 813 N HN 0.073 nan 8.380 nan 0.000 0.424 814 K N 0.784 121.181 120.400 -0.005 0.000 2.097 814 K HA -0.110 4.218 4.320 0.014 0.000 0.206 814 K C 1.689 178.301 176.600 0.021 0.000 1.049 814 K CA 0.853 57.146 56.287 0.010 0.000 0.933 814 K CB 0.077 32.587 32.500 0.017 0.000 0.717 814 K HN 0.021 nan 8.250 nan 0.000 0.442 815 L N 0.918 122.152 121.223 0.019 0.000 2.109 815 L HA -0.075 4.273 4.340 0.014 0.000 0.207 815 L C 2.237 179.127 176.870 0.035 0.000 1.086 815 L CA 1.508 56.369 54.840 0.035 0.000 0.760 815 L CB -0.653 41.422 42.059 0.027 0.000 0.910 815 L HN 0.089 nan 8.230 nan 0.000 0.437 816 S N -0.411 115.296 115.700 0.013 0.000 2.383 816 S HA -0.209 4.270 4.470 0.014 0.000 0.227 816 S C 1.759 176.372 174.600 0.022 0.000 1.026 816 S CA 1.245 59.453 58.200 0.014 0.000 0.981 816 S CB -0.277 62.919 63.200 -0.006 0.000 0.818 816 S HN 0.689 nan 8.310 nan 0.000 0.472 817 E N 1.774 121.985 120.200 0.018 0.000 2.152 817 E HA -0.073 4.286 4.350 0.014 0.000 0.192 817 E C 2.012 178.630 176.600 0.030 0.000 0.983 817 E CA 0.681 57.093 56.400 0.020 0.000 0.818 817 E CB -0.209 29.499 29.700 0.013 0.000 0.758 817 E HN 0.341 nan 8.360 nan 0.000 0.467 818 R N 0.572 121.095 120.500 0.039 0.000 2.081 818 R HA -0.071 4.278 4.340 0.014 0.000 0.235 818 R C 1.971 178.308 176.300 0.062 0.000 1.131 818 R CA 1.886 58.016 56.100 0.050 0.000 0.960 818 R CB -0.427 29.911 30.300 0.063 0.000 0.856 818 R HN 0.371 nan 8.270 nan 0.000 0.436 819 N N 0.196 118.939 118.700 0.070 0.000 2.289 819 N HA -0.118 4.631 4.740 0.014 0.000 0.184 819 N C 0.733 176.280 175.510 0.062 0.000 1.016 819 N CA 0.838 53.937 53.050 0.082 0.000 0.872 819 N CB -0.038 38.503 38.487 0.089 0.000 0.973 819 N HN 0.214 nan 8.380 nan 0.000 0.433 820 N N 0.184 118.911 118.700 0.045 0.000 2.322 820 N HA -0.011 4.738 4.740 0.014 0.000 0.194 820 N C -0.909 174.620 175.510 0.031 0.000 1.126 820 N CA 0.136 53.207 53.050 0.035 0.000 0.845 820 N CB 0.362 38.865 38.487 0.025 0.000 0.976 820 N HN 0.124 nan 8.380 nan 0.000 0.475 821 D N 1.054 121.475 120.400 0.035 0.000 2.347 821 D HA -0.025 4.624 4.640 0.014 0.000 0.235 821 D C 1.030 177.349 176.300 0.030 0.000 1.149 821 D CA -0.124 53.894 54.000 0.030 0.000 0.850 821 D CB 0.782 41.601 40.800 0.031 0.000 1.061 821 D HN 0.250 nan 8.370 nan 0.000 0.487 822 E N 3.932 124.146 120.200 0.025 0.000 2.338 822 E HA -0.187 4.172 4.350 0.014 0.000 0.197 822 E C 0.640 177.253 176.600 0.022 0.000 1.007 822 E CA 0.872 57.286 56.400 0.024 0.000 0.849 822 E CB -0.004 29.707 29.700 0.019 0.000 0.774 822 E HN 0.440 nan 8.360 nan 0.000 0.506 823 K N 0.482 120.893 120.400 0.020 0.000 2.228 823 K HA 0.134 4.463 4.320 0.014 0.000 0.202 823 K C 0.920 177.531 176.600 0.018 0.000 1.051 823 K CA 0.444 56.741 56.287 0.016 0.000 0.960 823 K CB 0.054 32.562 32.500 0.014 0.000 0.743 823 K HN 0.117 nan 8.250 nan 0.000 0.458 824 L N 2.268 123.506 121.223 0.025 0.000 2.389 824 L HA 0.212 4.561 4.340 0.014 0.000 0.265 824 L C 0.874 177.763 176.870 0.032 0.000 1.167 824 L CA -0.408 54.448 54.840 0.027 0.000 1.045 824 L CB 0.286 42.366 42.059 0.035 0.000 1.351 824 L HN -0.016 nan 8.230 nan 0.000 0.419 825 R N 0.662 121.176 120.500 0.024 0.000 2.297 825 R HA 0.048 4.397 4.340 0.014 0.000 0.197 825 R C 1.090 177.411 176.300 0.035 0.000 0.943 825 R CA 0.177 56.296 56.100 0.032 0.000 1.038 825 R CB -0.006 30.311 30.300 0.027 0.000 0.957 825 R HN 0.535 nan 8.270 nan 0.000 0.484 826 N N 0.817 119.529 118.700 0.020 0.000 2.550 826 N HA -0.059 4.690 4.740 0.014 0.000 0.186 826 N C 1.364 176.898 175.510 0.039 0.000 1.110 826 N CA 0.516 53.574 53.050 0.012 0.000 0.912 826 N CB -0.017 38.453 38.487 -0.029 0.000 0.968 826 N HN 0.220 nan 8.380 nan 0.000 0.448 827 R N -0.853 119.686 120.500 0.065 0.000 2.200 827 R HA 0.146 4.495 4.340 0.014 0.000 0.208 827 R C 1.182 177.593 176.300 0.184 0.000 1.033 827 R CA 0.636 56.809 56.100 0.120 0.000 1.000 827 R CB 0.187 30.559 30.300 0.120 0.000 0.906 827 R HN 0.254 nan 8.270 nan 0.000 0.462 828 C N -1.816 117.566 119.300 0.136 0.000 2.485 828 C HA 0.424 4.892 4.460 0.014 0.000 0.445 828 C C 1.049 176.109 174.990 0.115 0.000 1.404 828 C CA 0.262 59.359 59.018 0.132 0.000 2.577 828 C CB 0.261 28.058 27.740 0.094 0.000 2.780 828 C HN 0.708 nan 8.230 nan 0.000 0.574 829 G N 1.896 110.750 108.800 0.089 0.000 2.782 829 G HA2 -0.145 3.823 3.960 0.014 0.000 0.228 829 G HA3 -0.145 3.823 3.960 0.014 0.000 0.228 829 G C -2.045 172.894 174.900 0.065 0.000 1.372 829 G CA 0.040 45.188 45.100 0.081 0.000 0.862 829 G HN 0.181 nan 8.290 nan 0.000 0.547 830 P HA 0.101 nan 4.420 nan 0.000 0.237 830 P C 1.428 178.755 177.300 0.044 0.000 1.178 830 P CA 1.074 64.201 63.100 0.045 0.000 0.766 830 P CB 0.273 31.996 31.700 0.039 0.000 0.876 831 V N -0.649 119.301 119.914 0.061 0.000 3.608 831 V HA 0.044 4.173 4.120 0.014 0.000 0.269 831 V C 0.843 176.951 176.094 0.023 0.000 1.245 831 V CA 0.476 62.807 62.300 0.053 0.000 1.138 831 V CB -1.187 30.691 31.823 0.091 0.000 0.841 831 V HN 0.175 nan 8.190 nan 0.000 0.451 832 Q N 0.063 119.885 119.800 0.037 0.000 2.443 832 Q HA -0.248 4.101 4.340 0.014 0.000 0.337 832 Q C 0.096 176.107 176.000 0.019 0.000 1.401 832 Q CA 0.733 56.555 55.803 0.032 0.000 0.943 832 Q CB -0.909 27.841 28.738 0.019 0.000 1.177 832 Q HN 0.560 nan 8.270 nan 0.000 0.394 833 M N 1.122 120.745 119.600 0.038 0.000 2.182 833 M HA 0.308 4.796 4.480 0.014 0.000 0.285 833 M C -2.482 173.921 176.300 0.171 0.000 0.956 833 M CA -1.991 53.318 55.300 0.015 0.000 0.878 833 M CB 1.184 33.722 32.600 -0.103 0.000 1.373 833 M HN -0.175 nan 8.290 nan 0.000 0.393 834 P HA -0.120 nan 4.420 nan 0.000 0.261 834 P C -1.417 176.110 177.300 0.379 0.000 1.183 834 P CA 0.281 63.522 63.100 0.236 0.000 0.761 834 P CB 0.034 31.826 31.700 0.154 0.000 0.785 835 Y N 3.886 124.327 120.300 0.235 0.000 2.674 835 Y HA 0.102 4.661 4.550 0.015 0.000 0.354 835 Y C 1.205 177.142 175.900 0.061 0.000 1.089 835 Y CA 0.761 58.990 58.100 0.216 0.000 1.444 835 Y CB -0.121 38.448 38.460 0.180 0.000 1.187 835 Y HN 0.383 nan 8.280 nan 0.000 0.523 836 T N 1.875 116.195 114.554 -0.389 0.000 3.043 836 T HA 0.023 4.382 4.350 0.014 0.000 0.272 836 T C 1.374 175.713 174.700 -0.602 0.000 0.990 836 T CA -0.177 61.702 62.100 -0.368 0.000 0.897 836 T CB -0.025 68.744 68.868 -0.166 0.000 1.111 836 T HN 0.449 nan 8.240 nan 0.000 0.529 837 L N 0.816 121.402 121.223 -1.062 0.000 2.270 837 L HA 0.107 4.456 4.340 0.014 0.000 0.217 837 L C 1.473 178.116 176.870 -0.379 0.000 1.107 837 L CA 1.193 55.560 54.840 -0.787 0.000 0.772 837 L CB -0.822 40.730 42.059 -0.846 0.000 0.902 837 L HN 0.339 nan 8.230 nan 0.000 0.439 838 L N -1.177 119.852 121.223 -0.323 0.000 2.857 838 L HA 0.218 4.566 4.340 0.014 0.000 0.249 838 L C -0.036 176.782 176.870 -0.087 0.000 1.172 838 L CA -0.325 54.455 54.840 -0.101 0.000 0.980 838 L CB -0.302 41.783 42.059 0.043 0.000 1.299 838 L HN -0.029 nan 8.230 nan 0.000 0.535 839 L N 1.930 123.067 121.223 -0.145 0.000 2.418 839 L HA 0.176 4.525 4.340 0.014 0.000 0.274 839 L C -0.983 175.791 176.870 -0.160 0.000 1.135 839 L CA -0.770 53.988 54.840 -0.136 0.000 0.870 839 L CB 0.180 42.147 42.059 -0.154 0.000 1.154 839 L HN -0.031 nan 8.230 nan 0.000 0.462 840 P HA -0.054 nan 4.420 nan 0.000 0.217 840 P C 0.269 177.398 177.300 -0.285 0.000 1.150 840 P CA 0.793 63.798 63.100 -0.158 0.000 0.832 840 P CB 0.333 31.938 31.700 -0.158 0.000 0.787 841 S N -1.036 114.435 115.700 -0.382 0.000 2.646 841 S HA 0.522 5.000 4.470 0.014 0.000 0.276 841 S C 0.041 174.217 174.600 -0.708 0.000 1.222 841 S CA -0.193 57.626 58.200 -0.637 0.000 1.014 841 S CB 0.870 63.815 63.200 -0.424 0.000 0.991 841 S HN 0.023 nan 8.310 nan 0.000 0.533 842 S N 0.409 115.512 115.700 -0.995 0.000 2.567 842 S HA 0.446 4.924 4.470 0.014 0.000 0.270 842 S C -1.365 172.956 174.600 -0.464 0.000 1.152 842 S CA -0.963 56.848 58.200 -0.648 0.000 0.835 842 S CB 0.725 63.519 63.200 -0.676 0.000 1.115 842 S HN 0.732 nan 8.310 nan 0.000 0.459 843 K N 1.362 121.632 120.400 -0.216 0.000 2.399 843 K HA 0.546 4.875 4.320 0.014 0.000 0.247 843 K C 0.016 176.610 176.600 -0.010 0.000 1.036 843 K CA -0.927 55.303 56.287 -0.094 0.000 0.977 843 K CB 0.266 32.733 32.500 -0.056 0.000 1.272 843 K HN 0.715 nan 8.250 nan 0.000 0.501 844 E N -0.716 119.509 120.200 0.043 0.000 2.371 844 E HA 0.441 4.799 4.350 0.014 0.000 0.257 844 E C 0.442 177.106 176.600 0.107 0.000 1.134 844 E CA -0.530 55.932 56.400 0.103 0.000 0.919 844 E CB 0.498 30.241 29.700 0.073 0.000 1.025 844 E HN 0.868 nan 8.360 nan 0.000 0.438 845 G N 0.110 108.990 108.800 0.133 0.000 2.428 845 G HA2 -0.169 3.799 3.960 0.014 0.000 0.202 845 G HA3 -0.169 3.799 3.960 0.014 0.000 0.202 845 G C -1.085 173.874 174.900 0.100 0.000 1.247 845 G CA -0.415 44.738 45.100 0.089 0.000 1.020 845 G HN 0.492 nan 8.290 nan 0.000 0.529 846 L N 2.559 123.824 121.223 0.071 0.000 2.466 846 L HA 0.537 4.885 4.340 0.014 0.000 0.248 846 L C 1.517 178.459 176.870 0.119 0.000 1.240 846 L CA 0.660 55.550 54.840 0.083 0.000 1.180 846 L CB -0.514 41.566 42.059 0.034 0.000 1.413 846 L HN 1.027 nan 8.230 nan 0.000 0.406 847 T N -1.804 112.841 114.554 0.152 0.000 2.936 847 T HA 0.392 4.750 4.350 0.014 0.000 0.282 847 T C -0.033 174.805 174.700 0.230 0.000 1.003 847 T CA -0.559 61.635 62.100 0.155 0.000 1.005 847 T CB 1.295 70.240 68.868 0.128 0.000 1.097 847 T HN 0.166 nan 8.240 nan 0.000 0.532 848 F N 2.152 122.111 119.950 0.015 0.000 2.848 848 F HA 0.471 5.006 4.527 0.013 0.000 0.321 848 F C 0.169 175.966 175.800 -0.005 0.000 1.281 848 F CA -0.978 57.032 58.000 0.018 0.000 1.209 848 F CB -0.371 38.614 39.000 -0.024 0.000 1.152 848 F HN 0.872 nan 8.300 nan 0.000 0.521 849 R N -0.079 120.383 120.500 -0.064 0.000 2.741 849 R HA 0.747 5.095 4.340 0.014 0.000 0.274 849 R C -0.668 175.584 176.300 -0.080 0.000 1.029 849 R CA -0.945 55.060 56.100 -0.160 0.000 0.880 849 R CB 0.826 31.026 30.300 -0.167 0.000 1.264 849 R HN 0.659 nan 8.270 nan 0.000 0.465 850 G N 0.611 109.298 108.800 -0.189 0.000 3.209 850 G HA2 0.019 3.988 3.960 0.014 0.000 0.686 850 G HA3 0.019 3.988 3.960 0.014 0.000 0.686 850 G C -0.937 173.930 174.900 -0.054 0.000 1.065 850 G CA -0.554 44.381 45.100 -0.276 0.000 0.812 850 G HN 0.527 nan 8.290 nan 0.000 0.573 851 I N 4.381 124.990 120.570 0.064 0.000 2.428 851 I HA 0.265 4.443 4.170 0.014 0.000 0.279 851 I C -2.077 174.159 176.117 0.199 0.000 1.040 851 I CA -2.231 59.149 61.300 0.133 0.000 1.171 851 I CB 2.092 40.135 38.000 0.071 0.000 1.312 851 I HN 0.193 nan 8.210 nan 0.000 0.470 852 P HA 0.140 nan 4.420 nan 0.000 0.272 852 P C 0.362 177.678 177.300 0.026 0.000 1.230 852 P CA -0.262 62.798 63.100 -0.067 0.000 0.788 852 P CB 0.680 32.370 31.700 -0.017 0.000 0.949 853 N N -0.585 118.084 118.700 -0.051 0.000 2.205 853 N HA -0.082 4.666 4.740 0.014 0.000 0.186 853 N C 0.705 176.276 175.510 0.101 0.000 1.015 853 N CA 1.274 54.333 53.050 0.014 0.000 0.862 853 N CB -0.207 38.124 38.487 -0.260 0.000 0.986 853 N HN 0.554 nan 8.380 nan 0.000 0.429 854 S N -1.116 114.579 115.700 -0.008 0.000 2.697 854 S HA 0.547 5.026 4.470 0.014 0.000 0.289 854 S C -0.368 174.180 174.600 -0.087 0.000 1.149 854 S CA -0.895 57.290 58.200 -0.025 0.000 0.850 854 S CB 1.413 64.558 63.200 -0.092 0.000 1.151 854 S HN 0.003 nan 8.310 nan 0.000 0.491 855 I N 3.040 123.475 120.570 -0.224 0.000 2.372 855 I HA 0.152 4.331 4.170 0.014 0.000 0.298 855 I C 1.114 177.064 176.117 -0.279 0.000 1.137 855 I CA -0.069 60.902 61.300 -0.548 0.000 1.314 855 I CB 0.643 38.140 38.000 -0.839 0.000 1.444 855 I HN 0.845 nan 8.210 nan 0.000 0.541 856 S N 5.295 120.931 115.700 -0.106 0.000 2.540 856 S HA 0.367 4.846 4.470 0.014 0.000 0.222 856 S C 0.166 174.823 174.600 0.095 0.000 1.008 856 S CA -0.251 57.949 58.200 0.001 0.000 0.939 856 S CB 0.353 63.558 63.200 0.008 0.000 0.865 856 S HN 0.469 nan 8.310 nan 0.000 0.499 857 I N 0.000 120.663 120.570 0.154 0.000 2.984 857 I HA 0.000 4.178 4.170 0.014 0.000 0.288 857 I CA 0.000 61.433 61.300 0.222 0.000 1.566 857 I CB 0.000 38.120 38.000 0.201 0.000 1.214 857 I HN 0.000 nan 8.210 nan 0.000 0.494