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 1j1w_1_D DATA FIRST_RESID 3 DATA SEQUENCE TPKIIYTLTD EAPALATYSL LPIIKAFTGS SGIAVETRDI SLAGRLIATF DATA SEQUENCE PEYLTDTQKI SDDLAELGKL ATTPDANIIK LPNISASVPQ LKAAIKELQQ DATA SEQUENCE QGYKLPDYPE EPKTDTEKDV KARYDKIKGS AVNPVLREGN SDRRAPLSVK DATA SEQUENCE NYARKHPHKM GAWSADSKSH VAHMDNGDFY GSEKAALIGA PGSVKIELIA DATA SEQUENCE KDGSSTVLKA KTSVQAGEII DSSVMSKNAL RNFIAAEIED AKKQGVLLSV DATA SEQUENCE HLKATMMKVS DPIMFGQIVS EFYKDALTKH AEVLKQIGFD VNNGIGDLYA DATA SEQUENCE RIKTLPEAKQ KEIEADIQAV YAQRPQLAMV NSDKGITNLH VPSDVIVDAS DATA SEQUENCE MPAMIRDSGK MWGPDGKLHD TKAVIPDRCY AGVYQVVIED CKQHGAFDPT DATA SEQUENCE TMGSVPNVGL MAQKAEEYGS HDKTFQIPAD GVVRVTDESG KLLLEQSVEA DATA SEQUENCE GDIWRMCQAK DAPIQDWVKL AVNRARATNT PAVFWLDPAR AHDAQVIAKV DATA SEQUENCE ERYLKDYDTS GLDIRILSPV EATRFSLARI REGKDTISVT GNVLRDYLTD DATA SEQUENCE LFPIMELGTS AKMLSIVPLM SGGGLFETGA GGSAPKHVQQ FLEEGYLRWD DATA SEQUENCE SLGEFLALAA SLEHLGNAYK NPKALVLAST LDQATGKILD NNKSPARKVG DATA SEQUENCE EIDNRGSHFY LALYWAQALA AQTEDKELQA QFTGIAKALT DNETKIVGEL DATA SEQUENCE AAAQGKPVDI AGYYHPNTDL TSKAMRPSAT FNAALAPL 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.688 174.700 -0.020 0.000 1.109 3 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 3 T CB 0.000 68.872 68.868 0.007 0.000 0.612 4 P HA -0.050 nan 4.420 nan 0.000 0.252 4 P C -0.259 176.988 177.300 -0.090 0.000 1.126 4 P CA 0.971 64.002 63.100 -0.115 0.000 0.777 4 P CB 0.061 31.598 31.700 -0.271 0.000 0.711 5 K N 3.496 123.872 120.400 -0.040 0.000 2.270 5 K HA 0.404 4.639 4.320 -0.143 0.000 0.276 5 K C 0.288 176.892 176.600 0.006 0.000 1.023 5 K CA -0.168 56.116 56.287 -0.005 0.000 0.955 5 K CB 0.789 33.304 32.500 0.024 0.000 0.975 5 K HN 0.429 nan 8.250 nan 0.000 0.471 6 I N 4.095 124.681 120.570 0.027 0.000 2.534 6 I HA 0.178 4.263 4.170 -0.143 0.000 0.286 6 I C -0.885 175.281 176.117 0.081 0.000 1.094 6 I CA -0.803 60.530 61.300 0.056 0.000 1.055 6 I CB 1.583 39.609 38.000 0.042 0.000 1.225 6 I HN 0.379 nan 8.210 nan 0.000 0.435 7 I N 6.663 127.289 120.570 0.092 0.000 2.301 7 I HA 0.156 4.240 4.170 -0.143 0.000 0.292 7 I C -0.470 175.721 176.117 0.122 0.000 1.046 7 I CA -0.479 60.876 61.300 0.091 0.000 1.282 7 I CB 0.416 38.449 38.000 0.055 0.000 1.409 7 I HN 0.428 nan 8.210 nan 0.000 0.484 8 Y N 6.260 126.565 120.300 0.008 0.000 2.367 8 Y HA 0.262 4.727 4.550 -0.141 0.000 0.342 8 Y C 1.005 176.899 175.900 -0.010 0.000 0.979 8 Y CA -0.616 57.486 58.100 0.004 0.000 1.161 8 Y CB 0.917 39.372 38.460 -0.007 0.000 1.155 8 Y HN 0.679 nan 8.280 nan 0.000 0.503 9 T N 4.955 119.370 114.554 -0.233 0.000 2.910 9 T HA 0.502 4.766 4.350 -0.143 0.000 0.293 9 T C -0.417 174.182 174.700 -0.168 0.000 1.015 9 T CA -0.792 61.218 62.100 -0.151 0.000 1.094 9 T CB 0.570 69.354 68.868 -0.140 0.000 0.968 9 T HN 0.558 nan 8.240 nan 0.000 0.521 10 L N 3.883 125.055 121.223 -0.084 0.000 2.282 10 L HA 0.487 4.742 4.340 -0.143 0.000 0.288 10 L C 1.245 178.069 176.870 -0.077 0.000 1.033 10 L CA -0.828 53.968 54.840 -0.074 0.000 0.807 10 L CB 1.422 43.450 42.059 -0.052 0.000 1.209 10 L HN 1.100 nan 8.230 nan 0.000 0.423 11 T N -1.800 112.701 114.554 -0.088 0.000 2.482 11 T HA 0.301 4.565 4.350 -0.143 0.000 0.211 11 T C 0.348 175.003 174.700 -0.076 0.000 0.922 11 T CA -0.241 61.810 62.100 -0.082 0.000 1.141 11 T CB 1.200 70.010 68.868 -0.097 0.000 2.503 11 T HN 0.461 nan 8.240 nan 0.000 0.487 12 D N 0.220 120.561 120.400 -0.097 0.000 3.012 12 D HA 0.280 4.835 4.640 -0.143 0.000 0.284 12 D C 1.536 177.707 176.300 -0.214 0.000 1.259 12 D CA 0.444 54.378 54.000 -0.110 0.000 1.036 12 D CB 0.365 41.136 40.800 -0.049 0.000 1.167 12 D HN 0.599 nan 8.370 nan 0.000 0.429 13 E N 1.123 121.174 120.200 -0.248 0.000 3.388 13 E HA 0.353 4.617 4.350 -0.143 0.000 0.390 13 E C 1.784 178.187 176.600 -0.329 0.000 0.432 13 E CA 0.165 56.374 56.400 -0.318 0.000 2.109 13 E CB -0.085 29.487 29.700 -0.214 0.000 2.195 13 E HN 0.040 nan 8.360 nan 0.000 0.488 14 A N 1.475 124.083 122.820 -0.352 0.000 1.869 14 A HA -0.157 4.077 4.320 -0.143 0.000 0.218 14 A C -0.514 176.524 177.584 -0.909 0.000 1.203 14 A CA 2.283 54.002 52.037 -0.529 0.000 0.638 14 A CB -1.980 16.790 19.000 -0.384 0.000 0.831 14 A HN 0.227 nan 8.150 nan 0.000 0.450 15 P HA -0.271 nan 4.420 nan 0.000 0.217 15 P C 1.816 178.863 177.300 -0.422 0.000 1.162 15 P CA 2.446 64.984 63.100 -0.936 0.000 0.901 15 P CB -0.260 31.101 31.700 -0.566 0.000 0.793 16 A N -0.659 121.984 122.820 -0.296 0.000 1.869 16 A HA -0.258 3.977 4.320 -0.143 0.000 0.218 16 A C 2.303 179.917 177.584 0.049 0.000 1.203 16 A CA 2.246 54.229 52.037 -0.091 0.000 0.638 16 A CB -1.794 17.161 19.000 -0.075 0.000 0.831 16 A HN 0.113 nan 8.150 nan 0.000 0.450 17 L N -0.990 120.179 121.223 -0.090 0.000 1.990 17 L HA -0.269 3.986 4.340 -0.143 0.000 0.213 17 L C 3.145 180.017 176.870 0.002 0.000 1.072 17 L CA 1.356 56.139 54.840 -0.096 0.000 0.755 17 L CB -0.829 41.000 42.059 -0.384 0.000 0.889 17 L HN 0.485 nan 8.230 nan 0.000 0.432 18 A N -0.074 122.665 122.820 -0.135 0.000 1.971 18 A HA -0.291 3.944 4.320 -0.143 0.000 0.222 18 A C 2.320 179.969 177.584 0.110 0.000 1.182 18 A CA 2.712 54.767 52.037 0.029 0.000 0.649 18 A CB -1.180 17.800 19.000 -0.033 0.000 0.818 18 A HN 0.522 nan 8.150 nan 0.000 0.458 19 T N -1.460 113.144 114.554 0.083 0.000 2.833 19 T HA -0.157 4.108 4.350 -0.143 0.000 0.269 19 T C 1.580 176.275 174.700 -0.009 0.000 1.054 19 T CA 1.609 63.749 62.100 0.066 0.000 1.135 19 T CB -0.482 68.422 68.868 0.060 0.000 0.869 19 T HN 0.586 nan 8.240 nan 0.000 0.466 20 Y N 1.105 121.387 120.300 -0.031 0.000 2.403 20 Y HA -0.037 4.426 4.550 -0.145 0.000 0.291 20 Y C 2.904 178.781 175.900 -0.038 0.000 1.143 20 Y CA 0.748 58.831 58.100 -0.028 0.000 1.257 20 Y CB -0.346 38.104 38.460 -0.016 0.000 0.984 20 Y HN 0.222 nan 8.280 nan 0.000 0.550 21 S N -0.829 114.938 115.700 0.110 0.000 2.444 21 S HA -0.038 4.347 4.470 -0.143 0.000 0.223 21 S C 1.845 176.355 174.600 -0.149 0.000 1.054 21 S CA 0.377 58.612 58.200 0.058 0.000 0.947 21 S CB -0.499 62.851 63.200 0.251 0.000 0.850 21 S HN 0.319 nan 8.310 nan 0.000 0.527 22 L N 1.898 122.881 121.223 -0.399 0.000 2.179 22 L HA 0.262 4.517 4.340 -0.143 0.000 0.208 22 L C 2.085 178.784 176.870 -0.284 0.000 1.096 22 L CA 1.191 55.717 54.840 -0.523 0.000 0.779 22 L CB -0.564 41.106 42.059 -0.648 0.000 0.922 22 L HN 0.355 nan 8.230 nan 0.000 0.443 23 L N 0.864 121.932 121.223 -0.259 0.000 1.989 23 L HA -0.104 4.150 4.340 -0.143 0.000 0.211 23 L C -0.313 176.438 176.870 -0.199 0.000 1.071 23 L CA 2.256 56.910 54.840 -0.310 0.000 0.749 23 L CB -2.133 39.776 42.059 -0.250 0.000 0.890 23 L HN 0.252 nan 8.230 nan 0.000 0.431 24 P HA -0.203 nan 4.420 nan 0.000 0.215 24 P C 2.107 179.371 177.300 -0.060 0.000 1.157 24 P CA 1.605 64.646 63.100 -0.099 0.000 0.868 24 P CB -0.012 31.628 31.700 -0.100 0.000 0.788 25 I N -0.179 120.354 120.570 -0.063 0.000 2.053 25 I HA -0.287 3.798 4.170 -0.143 0.000 0.236 25 I C 2.686 178.856 176.117 0.088 0.000 1.038 25 I CA 1.710 63.034 61.300 0.040 0.000 1.304 25 I CB -0.926 37.074 38.000 0.000 0.000 1.023 25 I HN -0.181 nan 8.210 nan 0.000 0.395 26 I N 0.435 120.994 120.570 -0.017 0.000 2.181 26 I HA -0.391 3.694 4.170 -0.143 0.000 0.247 26 I C 2.566 178.720 176.117 0.062 0.000 1.081 26 I CA 1.697 63.015 61.300 0.029 0.000 1.340 26 I CB -0.528 37.377 38.000 -0.157 0.000 1.036 26 I HN 0.262 nan 8.210 nan 0.000 0.417 27 K N 0.594 120.992 120.400 -0.002 0.000 2.147 27 K HA -0.127 4.107 4.320 -0.143 0.000 0.205 27 K C 2.091 178.714 176.600 0.039 0.000 1.049 27 K CA 1.308 57.594 56.287 -0.002 0.000 0.936 27 K CB -0.072 32.400 32.500 -0.046 0.000 0.722 27 K HN 0.371 nan 8.250 nan 0.000 0.446 28 A N -0.404 122.479 122.820 0.105 0.000 2.021 28 A HA -0.001 4.233 4.320 -0.143 0.000 0.216 28 A C 1.555 179.153 177.584 0.024 0.000 1.163 28 A CA 0.728 52.785 52.037 0.034 0.000 0.676 28 A CB -0.275 18.720 19.000 -0.008 0.000 0.818 28 A HN 0.208 nan 8.150 nan 0.000 0.453 29 F N 0.631 120.522 119.950 -0.099 0.000 2.335 29 F HA -0.008 4.434 4.527 -0.142 0.000 0.296 29 F C 2.597 178.304 175.800 -0.155 0.000 1.091 29 F CA 1.585 59.497 58.000 -0.147 0.000 1.399 29 F CB -0.646 37.839 39.000 -0.859 0.000 1.067 29 F HN 0.274 nan 8.300 nan 0.000 0.520 30 T N -3.011 111.596 114.554 0.087 0.000 3.100 30 T HA 0.189 4.454 4.350 -0.143 0.000 0.253 30 T C 2.235 176.945 174.700 0.018 0.000 1.118 30 T CA 0.614 62.740 62.100 0.043 0.000 1.058 30 T CB -0.535 68.366 68.868 0.055 0.000 0.953 30 T HN 0.226 nan 8.240 nan 0.000 0.515 31 G N 2.603 111.411 108.800 0.013 0.000 2.453 31 G HA2 -0.196 3.678 3.960 -0.143 0.000 0.215 31 G HA3 -0.196 3.678 3.960 -0.143 0.000 0.215 31 G C 1.747 176.636 174.900 -0.018 0.000 1.201 31 G CA 1.019 46.111 45.100 -0.013 0.000 0.784 31 G HN 0.692 nan 8.290 nan 0.000 0.545 32 S N -0.357 115.335 115.700 -0.013 0.000 2.660 32 S HA 0.223 4.608 4.470 -0.143 0.000 0.223 32 S C 1.341 175.940 174.600 -0.002 0.000 0.963 32 S CA 0.775 58.969 58.200 -0.011 0.000 0.932 32 S CB 0.311 63.507 63.200 -0.008 0.000 0.775 32 S HN 0.070 nan 8.310 nan 0.000 0.531 33 S N 0.817 116.515 115.700 -0.005 0.000 2.601 33 S HA 0.519 4.904 4.470 -0.143 0.000 0.244 33 S C 0.996 175.590 174.600 -0.012 0.000 1.001 33 S CA -0.104 58.090 58.200 -0.010 0.000 0.984 33 S CB 0.212 63.402 63.200 -0.017 0.000 0.842 33 S HN 0.939 nan 8.310 nan 0.000 0.474 34 G N 2.289 111.082 108.800 -0.012 0.000 2.323 34 G HA2 -0.251 3.623 3.960 -0.143 0.000 0.292 34 G HA3 -0.251 3.623 3.960 -0.143 0.000 0.292 34 G C -0.150 174.736 174.900 -0.022 0.000 1.040 34 G CA 0.146 45.237 45.100 -0.013 0.000 0.942 34 G HN 0.555 nan 8.290 nan 0.000 0.506 35 I N 0.177 120.734 120.570 -0.021 0.000 2.433 35 I HA 0.618 4.703 4.170 -0.143 0.000 0.292 35 I C 0.495 176.600 176.117 -0.020 0.000 1.001 35 I CA -0.916 60.365 61.300 -0.030 0.000 1.119 35 I CB 2.116 40.103 38.000 -0.022 0.000 1.289 35 I HN 0.269 nan 8.210 nan 0.000 0.438 36 A N 6.532 129.338 122.820 -0.024 0.000 2.260 36 A HA 0.660 4.894 4.320 -0.143 0.000 0.314 36 A C -0.537 177.046 177.584 -0.001 0.000 1.257 36 A CA -0.422 51.609 52.037 -0.011 0.000 0.871 36 A CB 0.727 19.722 19.000 -0.009 0.000 1.166 36 A HN 0.464 nan 8.150 nan 0.000 0.522 37 V N 4.470 124.386 119.914 0.003 0.000 2.275 37 V HA 0.235 4.270 4.120 -0.143 0.000 0.272 37 V C 0.076 176.182 176.094 0.020 0.000 1.028 37 V CA -0.307 62.003 62.300 0.017 0.000 0.810 37 V CB 0.339 32.161 31.823 -0.003 0.000 1.043 37 V HN 0.989 nan 8.190 nan 0.000 0.453 38 E N 2.312 122.534 120.200 0.037 0.000 2.250 38 E HA 0.646 4.910 4.350 -0.143 0.000 0.265 38 E C 0.020 176.655 176.600 0.058 0.000 1.033 38 E CA -0.608 55.812 56.400 0.034 0.000 0.888 38 E CB 1.939 31.655 29.700 0.027 0.000 1.151 38 E HN 0.707 nan 8.360 nan 0.000 0.412 39 T N -0.736 113.843 114.554 0.041 0.000 2.932 39 T HA 0.633 4.897 4.350 -0.143 0.000 0.289 39 T C -0.270 174.444 174.700 0.023 0.000 1.039 39 T CA -1.116 61.012 62.100 0.048 0.000 1.024 39 T CB 1.416 70.302 68.868 0.030 0.000 1.090 39 T HN 0.168 nan 8.240 nan 0.000 0.496 40 R N 1.540 122.048 120.500 0.012 0.000 2.564 40 R HA 0.382 4.637 4.340 -0.143 0.000 0.284 40 R C -1.672 174.619 176.300 -0.015 0.000 1.031 40 R CA -0.710 55.390 56.100 -0.001 0.000 0.904 40 R CB 1.838 32.137 30.300 -0.002 0.000 1.199 40 R HN 0.863 nan 8.270 nan 0.000 0.443 41 D N 3.882 124.273 120.400 -0.017 0.000 2.411 41 D HA 0.145 4.699 4.640 -0.143 0.000 0.225 41 D C 1.005 177.285 176.300 -0.033 0.000 1.156 41 D CA -0.340 53.644 54.000 -0.027 0.000 0.874 41 D CB 0.495 41.281 40.800 -0.023 0.000 1.034 41 D HN 0.626 nan 8.370 nan 0.000 0.502 42 I N 0.907 121.453 120.570 -0.040 0.000 3.976 42 I HA 0.190 4.274 4.170 -0.143 0.000 0.337 42 I C 0.823 176.913 176.117 -0.046 0.000 1.359 42 I CA -0.659 60.617 61.300 -0.040 0.000 1.098 42 I CB -0.035 37.941 38.000 -0.041 0.000 1.027 42 I HN 0.155 nan 8.210 nan 0.000 0.394 43 S N 1.259 116.929 115.700 -0.050 0.000 2.589 43 S HA -0.008 4.377 4.470 -0.143 0.000 0.256 43 S C 1.210 175.777 174.600 -0.055 0.000 1.383 43 S CA -0.211 57.959 58.200 -0.050 0.000 0.983 43 S CB 0.951 64.123 63.200 -0.047 0.000 0.908 43 S HN 0.493 nan 8.310 nan 0.000 0.572 44 L N 1.010 122.202 121.223 -0.052 0.000 1.976 44 L HA -0.074 4.180 4.340 -0.143 0.000 0.209 44 L C 2.904 179.707 176.870 -0.110 0.000 1.071 44 L CA 2.063 56.852 54.840 -0.084 0.000 0.746 44 L CB -1.396 40.592 42.059 -0.119 0.000 0.890 44 L HN 0.991 nan 8.230 nan 0.000 0.432 45 A N -0.012 122.733 122.820 -0.123 0.000 1.873 45 A HA -0.218 4.016 4.320 -0.143 0.000 0.218 45 A C 2.287 179.754 177.584 -0.194 0.000 1.193 45 A CA 2.003 53.929 52.037 -0.185 0.000 0.629 45 A CB -1.597 17.263 19.000 -0.235 0.000 0.826 45 A HN 0.575 nan 8.150 nan 0.000 0.447 46 G N -0.939 107.749 108.800 -0.186 0.000 2.446 46 G HA2 -0.298 3.577 3.960 -0.143 0.000 0.217 46 G HA3 -0.298 3.577 3.960 -0.143 0.000 0.217 46 G C 1.722 176.584 174.900 -0.063 0.000 1.168 46 G CA 1.239 46.260 45.100 -0.133 0.000 0.771 46 G HN 0.542 nan 8.290 nan 0.000 0.551 47 R N -0.343 120.126 120.500 -0.051 0.000 2.139 47 R HA -0.033 4.221 4.340 -0.143 0.000 0.243 47 R C 2.467 178.781 176.300 0.023 0.000 1.145 47 R CA 1.206 57.295 56.100 -0.018 0.000 0.976 47 R CB -0.264 30.020 30.300 -0.025 0.000 0.866 47 R HN 0.450 nan 8.270 nan 0.000 0.449 48 L N -0.761 120.475 121.223 0.022 0.000 2.102 48 L HA 0.010 4.264 4.340 -0.143 0.000 0.202 48 L C 2.090 179.040 176.870 0.133 0.000 1.076 48 L CA 0.858 55.767 54.840 0.114 0.000 0.761 48 L CB -0.338 41.753 42.059 0.054 0.000 0.921 48 L HN 0.093 nan 8.230 nan 0.000 0.444 49 I N 0.506 121.100 120.570 0.040 0.000 2.502 49 I HA -0.303 3.781 4.170 -0.143 0.000 0.258 49 I C 2.444 178.615 176.117 0.089 0.000 1.172 49 I CA 1.199 62.533 61.300 0.058 0.000 1.430 49 I CB -0.515 37.487 38.000 0.004 0.000 1.086 49 I HN 0.272 nan 8.210 nan 0.000 0.440 50 A N -0.008 122.852 122.820 0.066 0.000 2.147 50 A HA -0.012 4.223 4.320 -0.143 0.000 0.211 50 A C 2.237 179.846 177.584 0.042 0.000 1.160 50 A CA 0.935 53.000 52.037 0.047 0.000 0.781 50 A CB -0.463 18.546 19.000 0.016 0.000 0.842 50 A HN 0.320 nan 8.150 nan 0.000 0.475 51 T N -0.697 113.908 114.554 0.084 0.000 2.942 51 T HA 0.080 4.345 4.350 -0.143 0.000 0.265 51 T C -0.025 174.553 174.700 -0.203 0.000 1.062 51 T CA 0.808 62.887 62.100 -0.036 0.000 1.139 51 T CB -0.280 68.610 68.868 0.036 0.000 0.883 51 T HN 0.335 nan 8.240 nan 0.000 0.468 52 F N 1.068 121.011 119.950 -0.013 0.000 2.438 52 F HA 0.380 4.821 4.527 -0.143 0.000 0.315 52 F C -2.044 173.824 175.800 0.113 0.000 1.258 52 F CA -2.962 55.077 58.000 0.065 0.000 1.180 52 F CB 1.044 40.078 39.000 0.056 0.000 1.412 52 F HN -0.012 nan 8.300 nan 0.000 0.544 53 P HA -0.231 nan 4.420 nan 0.000 0.216 53 P C 1.710 179.074 177.300 0.107 0.000 1.150 53 P CA 1.455 64.619 63.100 0.107 0.000 0.837 53 P CB 0.151 31.874 31.700 0.039 0.000 0.786 54 E N -0.595 119.658 120.200 0.088 0.000 2.118 54 E HA -0.235 4.030 4.350 -0.143 0.000 0.195 54 E C 1.313 177.887 176.600 -0.043 0.000 0.992 54 E CA 1.476 57.865 56.400 -0.018 0.000 0.804 54 E CB -1.258 28.372 29.700 -0.116 0.000 0.741 54 E HN 0.304 nan 8.360 nan 0.000 0.458 55 Y N 1.160 121.527 120.300 0.112 0.000 2.519 55 Y HA 0.201 4.673 4.550 -0.129 0.000 0.287 55 Y C 1.296 177.240 175.900 0.075 0.000 1.128 55 Y CA 0.164 58.320 58.100 0.093 0.000 1.282 55 Y CB 0.140 38.657 38.460 0.096 0.000 1.027 55 Y HN -0.067 nan 8.280 nan 0.000 0.551 56 L N -0.480 120.870 121.223 0.211 0.000 2.387 56 L HA 0.410 4.665 4.340 -0.143 0.000 0.266 56 L C 0.776 177.704 176.870 0.097 0.000 1.059 56 L CA -0.956 53.973 54.840 0.148 0.000 0.801 56 L CB 0.810 42.955 42.059 0.142 0.000 1.223 56 L HN -0.058 nan 8.230 nan 0.000 0.456 57 T N -4.246 110.360 114.554 0.085 0.000 2.849 57 T HA 0.160 4.425 4.350 -0.143 0.000 0.276 57 T C 0.579 175.312 174.700 0.055 0.000 0.971 57 T CA -0.624 61.512 62.100 0.061 0.000 0.949 57 T CB 1.186 70.088 68.868 0.057 0.000 1.093 57 T HN 0.514 nan 8.240 nan 0.000 0.545 58 D N 1.092 121.517 120.400 0.041 0.000 2.133 58 D HA -0.103 4.451 4.640 -0.143 0.000 0.192 58 D C 2.099 178.424 176.300 0.041 0.000 1.001 58 D CA 2.243 56.265 54.000 0.036 0.000 0.844 58 D CB -0.514 40.303 40.800 0.027 0.000 0.944 58 D HN 0.850 nan 8.370 nan 0.000 0.447 59 T N -1.906 112.675 114.554 0.045 0.000 3.188 59 T HA 0.051 4.316 4.350 -0.143 0.000 0.250 59 T C 1.062 175.802 174.700 0.066 0.000 1.077 59 T CA -0.123 62.006 62.100 0.048 0.000 0.967 59 T CB -0.074 68.818 68.868 0.039 0.000 1.006 59 T HN 0.324 nan 8.240 nan 0.000 0.552 60 Q N -0.305 119.542 119.800 0.078 0.000 2.189 60 Q HA 0.381 4.635 4.340 -0.143 0.000 0.223 60 Q C 0.683 176.745 176.000 0.103 0.000 0.828 60 Q CA -0.617 55.249 55.803 0.105 0.000 0.967 60 Q CB 0.515 29.326 28.738 0.122 0.000 1.139 60 Q HN 0.292 nan 8.270 nan 0.000 0.497 61 K N 1.567 122.016 120.400 0.080 0.000 2.118 61 K HA 0.450 4.685 4.320 -0.143 0.000 0.240 61 K C -1.007 175.630 176.600 0.061 0.000 1.035 61 K CA -0.333 55.996 56.287 0.070 0.000 0.899 61 K CB 0.773 33.306 32.500 0.054 0.000 1.085 61 K HN 0.242 nan 8.250 nan 0.000 0.498 62 I N 1.542 122.140 120.570 0.048 0.000 2.740 62 I HA -0.037 4.048 4.170 -0.143 0.000 0.281 62 I C -0.839 175.292 176.117 0.023 0.000 1.427 62 I CA -0.311 61.011 61.300 0.036 0.000 1.110 62 I CB 1.317 39.339 38.000 0.037 0.000 1.416 62 I HN 0.852 nan 8.210 nan 0.000 0.429 63 S N 3.658 119.368 115.700 0.018 0.000 2.806 63 S HA -0.150 4.235 4.470 -0.143 0.000 0.334 63 S C 0.066 174.669 174.600 0.005 0.000 1.226 63 S CA 0.081 58.287 58.200 0.011 0.000 1.017 63 S CB 0.280 63.486 63.200 0.009 0.000 0.712 63 S HN 0.672 nan 8.310 nan 0.000 0.491 64 D N 1.262 121.662 120.400 0.000 0.000 2.435 64 D HA 0.157 4.711 4.640 -0.143 0.000 0.230 64 D C 0.366 176.662 176.300 -0.007 0.000 1.215 64 D CA -0.439 53.557 54.000 -0.006 0.000 0.947 64 D CB 0.074 40.867 40.800 -0.013 0.000 1.048 64 D HN 0.458 nan 8.370 nan 0.000 0.512 65 D N 3.171 123.567 120.400 -0.007 0.000 2.234 65 D HA -0.113 4.441 4.640 -0.143 0.000 0.205 65 D C 2.025 178.319 176.300 -0.010 0.000 0.962 65 D CA 0.134 54.130 54.000 -0.007 0.000 0.855 65 D CB 0.312 41.108 40.800 -0.008 0.000 0.951 65 D HN 0.430 nan 8.370 nan 0.000 0.500 66 L N 1.025 122.240 121.223 -0.014 0.000 1.970 66 L HA -0.214 4.040 4.340 -0.143 0.000 0.212 66 L C 2.335 179.198 176.870 -0.012 0.000 1.071 66 L CA 1.576 56.407 54.840 -0.015 0.000 0.751 66 L CB -0.294 41.754 42.059 -0.018 0.000 0.889 66 L HN -0.028 nan 8.230 nan 0.000 0.432 67 A N -0.755 122.057 122.820 -0.013 0.000 1.948 67 A HA -0.296 3.938 4.320 -0.143 0.000 0.220 67 A C 2.220 179.800 177.584 -0.007 0.000 1.177 67 A CA 2.082 54.112 52.037 -0.012 0.000 0.636 67 A CB -0.636 18.355 19.000 -0.015 0.000 0.815 67 A HN 0.636 nan 8.150 nan 0.000 0.449 68 E N -0.116 120.081 120.200 -0.005 0.000 2.028 68 E HA -0.119 4.146 4.350 -0.143 0.000 0.190 68 E C 2.044 178.646 176.600 0.002 0.000 0.984 68 E CA 0.982 57.383 56.400 0.000 0.000 0.800 68 E CB -0.211 29.491 29.700 0.003 0.000 0.758 68 E HN 0.636 nan 8.360 nan 0.000 0.448 69 L N 0.429 121.652 121.223 -0.000 0.000 2.042 69 L HA -0.157 4.097 4.340 -0.143 0.000 0.210 69 L C 2.693 179.562 176.870 -0.002 0.000 1.076 69 L CA 1.295 56.135 54.840 -0.000 0.000 0.749 69 L CB -0.876 41.179 42.059 -0.007 0.000 0.893 69 L HN 0.298 nan 8.230 nan 0.000 0.432 70 G N 0.011 108.808 108.800 -0.005 0.000 2.503 70 G HA2 -0.296 3.578 3.960 -0.143 0.000 0.221 70 G HA3 -0.296 3.578 3.960 -0.143 0.000 0.221 70 G C 1.731 176.630 174.900 -0.002 0.000 1.131 70 G CA 0.989 46.086 45.100 -0.005 0.000 0.756 70 G HN 0.346 nan 8.290 nan 0.000 0.572 71 K N -0.609 119.792 120.400 0.002 0.000 2.021 71 K HA 0.123 4.357 4.320 -0.143 0.000 0.205 71 K C 2.374 178.981 176.600 0.011 0.000 1.047 71 K CA 0.708 56.999 56.287 0.006 0.000 0.943 71 K CB -0.440 32.064 32.500 0.007 0.000 0.725 71 K HN 0.239 nan 8.250 nan 0.000 0.439 72 L N 1.680 122.912 121.223 0.014 0.000 2.151 72 L HA -0.248 4.007 4.340 -0.143 0.000 0.215 72 L C 2.120 179.002 176.870 0.020 0.000 1.084 72 L CA 1.852 56.705 54.840 0.022 0.000 0.764 72 L CB -0.503 41.570 42.059 0.024 0.000 0.891 72 L HN 0.166 nan 8.230 nan 0.000 0.435 73 A N -1.503 121.322 122.820 0.008 0.000 1.969 73 A HA -0.182 4.052 4.320 -0.143 0.000 0.218 73 A C 2.312 179.896 177.584 0.000 0.000 1.169 73 A CA 1.900 53.936 52.037 -0.003 0.000 0.635 73 A CB -1.115 17.876 19.000 -0.015 0.000 0.810 73 A HN 0.632 nan 8.150 nan 0.000 0.445 74 T N -2.094 112.463 114.554 0.006 0.000 3.100 74 T HA 0.089 4.354 4.350 -0.143 0.000 0.253 74 T C 0.898 175.610 174.700 0.019 0.000 1.118 74 T CA 0.891 62.996 62.100 0.008 0.000 1.058 74 T CB -0.985 67.887 68.868 0.007 0.000 0.953 74 T HN 0.523 nan 8.240 nan 0.000 0.515 75 T N -0.377 114.193 114.554 0.028 0.000 2.913 75 T HA 0.433 4.697 4.350 -0.143 0.000 0.287 75 T C -2.033 172.702 174.700 0.057 0.000 1.008 75 T CA -1.766 60.358 62.100 0.040 0.000 1.067 75 T CB 1.443 70.338 68.868 0.045 0.000 0.996 75 T HN -0.174 nan 8.240 nan 0.000 0.513 76 P HA -0.005 nan 4.420 nan 0.000 0.218 76 P C 0.660 178.047 177.300 0.145 0.000 1.149 76 P CA 0.794 63.947 63.100 0.088 0.000 0.817 76 P CB 0.058 31.794 31.700 0.060 0.000 0.785 77 D N -0.669 119.820 120.400 0.150 0.000 2.323 77 D HA 0.126 4.681 4.640 -0.143 0.000 0.239 77 D C 0.637 177.059 176.300 0.204 0.000 1.129 77 D CA 0.135 54.270 54.000 0.226 0.000 0.865 77 D CB -0.359 40.581 40.800 0.234 0.000 0.913 77 D HN 0.096 nan 8.370 nan 0.000 0.517 78 A N 1.370 124.284 122.820 0.155 0.000 2.511 78 A HA 0.203 4.437 4.320 -0.143 0.000 0.242 78 A C 0.507 178.178 177.584 0.144 0.000 1.069 78 A CA 0.040 52.144 52.037 0.111 0.000 0.763 78 A CB 0.289 19.322 19.000 0.055 0.000 1.001 78 A HN 0.095 nan 8.150 nan 0.000 0.498 79 N N 2.084 120.866 118.700 0.136 0.000 2.827 79 N HA 0.264 4.918 4.740 -0.143 0.000 0.240 79 N C -1.705 173.910 175.510 0.176 0.000 1.352 79 N CA -0.201 52.969 53.050 0.199 0.000 0.760 79 N CB 0.423 39.044 38.487 0.223 0.000 1.426 79 N HN 0.541 nan 8.380 nan 0.000 0.561 80 I N 3.147 123.824 120.570 0.179 0.000 2.433 80 I HA 0.478 4.563 4.170 -0.143 0.000 0.292 80 I C 0.254 176.480 176.117 0.180 0.000 1.001 80 I CA -0.804 60.573 61.300 0.128 0.000 1.119 80 I CB 2.196 40.221 38.000 0.042 0.000 1.289 80 I HN 0.223 nan 8.210 nan 0.000 0.438 81 I N 5.739 126.383 120.570 0.122 0.000 2.297 81 I HA 0.221 4.305 4.170 -0.143 0.000 0.291 81 I C -0.113 175.954 176.117 -0.084 0.000 1.033 81 I CA -0.554 60.795 61.300 0.082 0.000 1.253 81 I CB 1.070 39.136 38.000 0.110 0.000 1.396 81 I HN 0.430 nan 8.210 nan 0.000 0.476 82 K N 7.365 127.731 120.400 -0.056 0.000 2.293 82 K HA 0.536 4.771 4.320 -0.143 0.000 0.267 82 K C -1.244 175.295 176.600 -0.102 0.000 1.010 82 K CA -0.346 55.884 56.287 -0.096 0.000 0.875 82 K CB 0.784 33.251 32.500 -0.055 0.000 1.106 82 K HN 0.353 nan 8.250 nan 0.000 0.450 83 L N 5.938 127.068 121.223 -0.154 0.000 2.416 83 L HA 0.557 4.812 4.340 -0.143 0.000 0.262 83 L C -2.042 174.803 176.870 -0.041 0.000 1.093 83 L CA -2.111 52.672 54.840 -0.094 0.000 0.801 83 L CB 0.661 42.623 42.059 -0.162 0.000 1.191 83 L HN 0.634 nan 8.230 nan 0.000 0.459 84 P HA 0.092 nan 4.420 nan 0.000 0.267 84 P C -1.366 175.926 177.300 -0.014 0.000 1.200 84 P CA -0.049 63.074 63.100 0.038 0.000 0.772 84 P CB 0.269 32.050 31.700 0.136 0.000 0.855 85 N N 1.771 120.465 118.700 -0.010 0.000 2.277 85 N HA 0.267 4.921 4.740 -0.143 0.000 0.286 85 N C -0.801 174.703 175.510 -0.010 0.000 1.140 85 N CA -0.799 52.235 53.050 -0.026 0.000 0.799 85 N CB 1.218 39.684 38.487 -0.035 0.000 1.596 85 N HN 0.151 nan 8.380 nan 0.000 0.473 86 I N 1.080 121.646 120.570 -0.006 0.000 2.668 86 I HA -0.075 4.010 4.170 -0.143 0.000 0.285 86 I C 0.428 176.535 176.117 -0.017 0.000 1.168 86 I CA 0.478 61.784 61.300 0.009 0.000 1.424 86 I CB 0.350 38.378 38.000 0.046 0.000 1.377 86 I HN 0.414 nan 8.210 nan 0.000 0.560 87 S N 6.409 122.094 115.700 -0.024 0.000 2.464 87 S HA 0.437 4.822 4.470 -0.143 0.000 0.313 87 S C 0.392 174.953 174.600 -0.064 0.000 1.078 87 S CA -0.741 57.426 58.200 -0.056 0.000 1.096 87 S CB 0.672 63.831 63.200 -0.068 0.000 1.032 87 S HN 0.716 nan 8.310 nan 0.000 0.498 88 A N 3.137 125.910 122.820 -0.078 0.000 2.531 88 A HA 0.440 4.675 4.320 -0.143 0.000 0.236 88 A C 0.605 178.124 177.584 -0.108 0.000 1.062 88 A CA -0.081 51.899 52.037 -0.096 0.000 0.760 88 A CB 0.311 19.229 19.000 -0.136 0.000 0.995 88 A HN 0.578 nan 8.150 nan 0.000 0.501 89 S N 1.368 117.005 115.700 -0.105 0.000 2.482 89 S HA 0.375 4.759 4.470 -0.143 0.000 0.303 89 S C 1.223 175.753 174.600 -0.118 0.000 1.091 89 S CA -0.446 57.684 58.200 -0.116 0.000 1.057 89 S CB 1.284 64.412 63.200 -0.119 0.000 1.031 89 S HN 0.761 nan 8.310 nan 0.000 0.485 90 V N 5.693 125.537 119.914 -0.116 0.000 2.252 90 V HA -0.152 3.882 4.120 -0.143 0.000 0.255 90 V C -1.428 174.601 176.094 -0.108 0.000 1.071 90 V CA 2.030 64.261 62.300 -0.115 0.000 1.050 90 V CB -1.672 30.095 31.823 -0.092 0.000 0.654 90 V HN 0.690 nan 8.190 nan 0.000 0.448 91 P HA -0.088 nan 4.420 nan 0.000 0.279 91 P C 1.096 178.366 177.300 -0.051 0.000 1.278 91 P CA 0.357 63.427 63.100 -0.049 0.000 0.846 91 P CB -0.042 31.641 31.700 -0.029 0.000 1.218 92 Q N -0.836 118.958 119.800 -0.009 0.000 2.318 92 Q HA -0.237 4.017 4.340 -0.143 0.000 0.216 92 Q C 1.916 177.912 176.000 -0.007 0.000 1.004 92 Q CA 1.847 57.660 55.803 0.016 0.000 0.932 92 Q CB -1.708 27.067 28.738 0.061 0.000 0.946 92 Q HN 0.432 nan 8.270 nan 0.000 0.419 93 L N 0.614 121.823 121.223 -0.023 0.000 1.899 93 L HA -0.202 4.053 4.340 -0.143 0.000 0.223 93 L C 2.741 179.437 176.870 -0.290 0.000 1.088 93 L CA 1.883 56.665 54.840 -0.098 0.000 0.788 93 L CB -0.725 41.300 42.059 -0.056 0.000 0.889 93 L HN 0.223 nan 8.230 nan 0.000 0.431 94 K N -0.146 120.107 120.400 -0.245 0.000 2.032 94 K HA -0.223 4.011 4.320 -0.143 0.000 0.209 94 K C 2.022 178.406 176.600 -0.360 0.000 1.048 94 K CA 1.577 57.675 56.287 -0.314 0.000 0.927 94 K CB -0.150 32.188 32.500 -0.269 0.000 0.712 94 K HN 0.371 nan 8.250 nan 0.000 0.441 95 A N 1.231 123.890 122.820 -0.268 0.000 1.834 95 A HA -0.168 4.066 4.320 -0.143 0.000 0.216 95 A C 2.396 179.853 177.584 -0.213 0.000 1.203 95 A CA 2.398 54.294 52.037 -0.236 0.000 0.621 95 A CB -1.233 17.693 19.000 -0.124 0.000 0.841 95 A HN 0.509 nan 8.150 nan 0.000 0.446 96 A N 0.047 122.792 122.820 -0.126 0.000 1.986 96 A HA -0.138 4.097 4.320 -0.143 0.000 0.220 96 A C 2.062 179.605 177.584 -0.069 0.000 1.171 96 A CA 1.851 53.868 52.037 -0.034 0.000 0.640 96 A CB -0.658 18.413 19.000 0.118 0.000 0.811 96 A HN 1.039 nan 8.150 nan 0.000 0.451 97 I N -1.320 119.052 120.570 -0.330 0.000 2.617 97 I HA -0.066 4.018 4.170 -0.143 0.000 0.256 97 I C 1.755 177.698 176.117 -0.290 0.000 1.167 97 I CA 2.118 63.199 61.300 -0.365 0.000 1.469 97 I CB -1.065 36.411 38.000 -0.873 0.000 1.098 97 I HN 0.310 nan 8.210 nan 0.000 0.436 98 K N 1.814 122.003 120.400 -0.352 0.000 2.063 98 K HA -0.225 4.009 4.320 -0.143 0.000 0.208 98 K C 2.167 178.575 176.600 -0.320 0.000 1.048 98 K CA 2.291 58.340 56.287 -0.397 0.000 0.928 98 K CB -0.063 32.096 32.500 -0.568 0.000 0.713 98 K HN 0.739 nan 8.250 nan 0.000 0.442 99 E N 0.151 120.209 120.200 -0.237 0.000 2.250 99 E HA -0.118 4.146 4.350 -0.143 0.000 0.192 99 E C 1.927 178.465 176.600 -0.104 0.000 0.986 99 E CA 0.292 56.610 56.400 -0.137 0.000 0.849 99 E CB -0.273 29.404 29.700 -0.039 0.000 0.797 99 E HN 0.184 nan 8.360 nan 0.000 0.482 100 L N 1.341 122.505 121.223 -0.098 0.000 2.263 100 L HA -0.217 4.037 4.340 -0.143 0.000 0.216 100 L C 1.833 178.439 176.870 -0.440 0.000 1.111 100 L CA 1.724 56.504 54.840 -0.099 0.000 0.773 100 L CB -0.409 41.679 42.059 0.049 0.000 0.906 100 L HN 0.163 nan 8.230 nan 0.000 0.439 101 Q N -0.605 118.950 119.800 -0.408 0.000 1.808 101 Q HA -0.096 4.158 4.340 -0.143 0.000 0.286 101 Q C 1.888 177.797 176.000 -0.152 0.000 0.955 101 Q CA 1.186 56.695 55.803 -0.491 0.000 0.877 101 Q CB -0.712 27.880 28.738 -0.244 0.000 0.917 101 Q HN 0.562 nan 8.270 nan 0.000 0.436 102 Q N 1.171 120.927 119.800 -0.074 0.000 2.062 102 Q HA -0.373 3.881 4.340 -0.143 0.000 0.216 102 Q C 2.060 178.116 176.000 0.092 0.000 1.052 102 Q CA 2.394 58.207 55.803 0.018 0.000 0.910 102 Q CB -0.606 28.124 28.738 -0.014 0.000 1.043 102 Q HN 0.396 nan 8.270 nan 0.000 0.425 103 Q N -0.575 119.268 119.800 0.073 0.000 2.175 103 Q HA -0.306 3.949 4.340 -0.143 0.000 0.234 103 Q C 1.702 177.799 176.000 0.162 0.000 1.081 103 Q CA 2.563 58.435 55.803 0.114 0.000 0.940 103 Q CB -0.783 28.021 28.738 0.110 0.000 1.032 103 Q HN 0.562 nan 8.270 nan 0.000 0.478 104 G N -2.828 106.142 108.800 0.284 0.000 3.044 104 G HA2 0.153 4.028 3.960 -0.143 0.000 0.223 104 G HA3 0.153 4.028 3.960 -0.143 0.000 0.223 104 G C 0.028 175.058 174.900 0.217 0.000 1.123 104 G CA 0.261 45.487 45.100 0.210 0.000 0.765 104 G HN 0.270 nan 8.290 nan 0.000 0.546 105 Y N 1.330 121.644 120.300 0.022 0.000 3.115 105 Y HA 0.371 4.842 4.550 -0.132 0.000 0.252 105 Y C 1.803 177.727 175.900 0.039 0.000 0.907 105 Y CA -0.594 57.521 58.100 0.025 0.000 1.261 105 Y CB -0.639 37.844 38.460 0.038 0.000 1.128 105 Y HN -0.162 nan 8.280 nan 0.000 0.541 106 K N 0.408 120.970 120.400 0.271 0.000 3.018 106 K HA 0.348 4.583 4.320 -0.143 0.000 0.341 106 K C -0.815 175.848 176.600 0.105 0.000 1.018 106 K CA 0.052 56.434 56.287 0.158 0.000 1.146 106 K CB -0.426 32.162 32.500 0.146 0.000 1.160 106 K HN 0.233 nan 8.250 nan 0.000 0.471 107 L N -0.456 120.816 121.223 0.081 0.000 2.685 107 L HA 0.306 4.560 4.340 -0.143 0.000 0.297 107 L C -2.607 174.255 176.870 -0.013 0.000 1.367 107 L CA -0.957 53.921 54.840 0.063 0.000 0.703 107 L CB 0.559 42.692 42.059 0.122 0.000 1.039 107 L HN 0.280 nan 8.230 nan 0.000 0.529 108 P HA 0.209 nan 4.420 nan 0.000 0.330 108 P C -0.772 176.227 177.300 -0.503 0.000 1.436 108 P CA 0.383 63.243 63.100 -0.401 0.000 0.845 108 P CB 0.368 31.840 31.700 -0.381 0.000 2.027 109 D N -4.142 115.932 120.400 -0.543 0.000 2.665 109 D HA 0.281 4.836 4.640 -0.143 0.000 0.287 109 D C -1.176 174.951 176.300 -0.289 0.000 1.266 109 D CA -0.554 53.242 54.000 -0.339 0.000 0.830 109 D CB -0.110 40.435 40.800 -0.425 0.000 1.356 109 D HN 0.100 nan 8.370 nan 0.000 0.437 110 Y N -0.631 119.630 120.300 -0.066 0.000 2.408 110 Y HA 0.497 4.958 4.550 -0.147 0.000 0.324 110 Y C -1.480 174.426 175.900 0.010 0.000 1.302 110 Y CA -1.202 56.863 58.100 -0.059 0.000 1.384 110 Y CB 0.208 38.635 38.460 -0.055 0.000 1.367 110 Y HN 0.185 nan 8.280 nan 0.000 0.525 111 P HA 0.060 nan 4.420 nan 0.000 0.342 111 P C 0.253 177.599 177.300 0.077 0.000 1.384 111 P CA 0.075 63.216 63.100 0.068 0.000 0.837 111 P CB 0.228 31.909 31.700 -0.031 0.000 2.025 112 E N 0.047 120.270 120.200 0.038 0.000 3.620 112 E HA -0.390 3.874 4.350 -0.143 0.000 0.491 112 E C 0.324 176.942 176.600 0.029 0.000 1.639 112 E CA 1.624 58.038 56.400 0.024 0.000 1.210 112 E CB -1.478 28.226 29.700 0.007 0.000 1.098 112 E HN 0.506 nan 8.360 nan 0.000 0.362 113 E N 3.317 123.532 120.200 0.025 0.000 1.963 113 E HA 0.273 4.537 4.350 -0.143 0.000 0.274 113 E C -2.409 174.212 176.600 0.035 0.000 1.061 113 E CA -2.170 54.245 56.400 0.026 0.000 0.847 113 E CB 0.786 30.497 29.700 0.017 0.000 1.083 113 E HN 0.084 nan 8.360 nan 0.000 0.402 114 P HA 0.089 nan 4.420 nan 0.000 0.271 114 P C -0.308 177.015 177.300 0.039 0.000 1.220 114 P CA -0.268 62.861 63.100 0.047 0.000 0.768 114 P CB 0.920 32.652 31.700 0.054 0.000 0.848 115 K N 0.116 120.538 120.400 0.038 0.000 2.477 115 K HA 0.164 4.399 4.320 -0.143 0.000 0.208 115 K C 0.331 176.950 176.600 0.033 0.000 1.117 115 K CA 0.427 56.732 56.287 0.032 0.000 1.039 115 K CB 0.607 33.123 32.500 0.026 0.000 0.937 115 K HN 0.582 nan 8.250 nan 0.000 0.570 116 T N -2.046 112.532 114.554 0.039 0.000 2.893 116 T HA 0.332 4.597 4.350 -0.143 0.000 0.291 116 T C 0.435 175.162 174.700 0.046 0.000 1.028 116 T CA -0.636 61.488 62.100 0.040 0.000 0.995 116 T CB 1.976 70.871 68.868 0.044 0.000 1.051 116 T HN -0.252 nan 8.240 nan 0.000 0.470 117 D N 1.490 121.915 120.400 0.041 0.000 2.271 117 D HA -0.069 4.485 4.640 -0.143 0.000 0.207 117 D C 1.798 178.130 176.300 0.053 0.000 0.983 117 D CA 1.404 55.429 54.000 0.042 0.000 0.878 117 D CB -0.245 40.576 40.800 0.034 0.000 0.920 117 D HN 0.703 nan 8.370 nan 0.000 0.479 118 T N 0.288 114.880 114.554 0.064 0.000 2.894 118 T HA -0.029 4.236 4.350 -0.143 0.000 0.258 118 T C 1.772 176.530 174.700 0.098 0.000 1.043 118 T CA 0.563 62.715 62.100 0.087 0.000 1.141 118 T CB 0.061 68.988 68.868 0.098 0.000 0.873 118 T HN 0.240 nan 8.240 nan 0.000 0.449 119 E N 1.284 121.536 120.200 0.086 0.000 2.110 119 E HA -0.107 4.157 4.350 -0.143 0.000 0.193 119 E C 2.246 178.899 176.600 0.087 0.000 0.988 119 E CA 0.923 57.378 56.400 0.092 0.000 0.804 119 E CB -0.034 29.712 29.700 0.077 0.000 0.745 119 E HN 0.436 nan 8.360 nan 0.000 0.458 120 K N 0.784 121.226 120.400 0.070 0.000 2.025 120 K HA -0.151 4.083 4.320 -0.143 0.000 0.207 120 K C 1.856 178.494 176.600 0.063 0.000 1.049 120 K CA 1.551 57.876 56.287 0.062 0.000 0.933 120 K CB -0.095 32.434 32.500 0.049 0.000 0.714 120 K HN -0.024 nan 8.250 nan 0.000 0.438 121 D N 0.181 120.617 120.400 0.060 0.000 2.182 121 D HA -0.140 4.414 4.640 -0.143 0.000 0.201 121 D C 1.692 178.026 176.300 0.057 0.000 0.986 121 D CA 0.841 54.870 54.000 0.050 0.000 0.847 121 D CB 0.136 40.967 40.800 0.051 0.000 0.942 121 D HN -0.065 nan 8.370 nan 0.000 0.467 122 V N 0.332 120.305 119.914 0.098 0.000 2.346 122 V HA -0.120 3.914 4.120 -0.143 0.000 0.244 122 V C 2.327 178.505 176.094 0.139 0.000 1.037 122 V CA 1.038 63.415 62.300 0.128 0.000 1.029 122 V CB -0.393 31.519 31.823 0.147 0.000 0.663 122 V HN 0.141 nan 8.190 nan 0.000 0.454 123 K N 1.034 121.525 120.400 0.151 0.000 2.103 123 K HA -0.152 4.082 4.320 -0.143 0.000 0.207 123 K C 2.093 178.769 176.600 0.127 0.000 1.048 123 K CA 1.795 58.181 56.287 0.165 0.000 0.930 123 K CB -0.407 32.160 32.500 0.111 0.000 0.716 123 K HN 0.414 nan 8.250 nan 0.000 0.444 124 A N 1.285 124.154 122.820 0.081 0.000 1.972 124 A HA -0.114 4.121 4.320 -0.143 0.000 0.219 124 A C 2.201 179.804 177.584 0.032 0.000 1.169 124 A CA 1.143 53.210 52.037 0.050 0.000 0.635 124 A CB -0.294 18.726 19.000 0.032 0.000 0.810 124 A HN 0.304 nan 8.150 nan 0.000 0.446 125 R N -2.323 118.184 120.500 0.012 0.000 2.100 125 R HA 0.022 4.276 4.340 -0.143 0.000 0.220 125 R C 1.936 178.256 176.300 0.033 0.000 1.091 125 R CA 1.147 57.209 56.100 -0.063 0.000 0.986 125 R CB -0.323 29.826 30.300 -0.252 0.000 0.888 125 R HN 0.721 nan 8.270 nan 0.000 0.444 126 Y N 1.141 121.526 120.300 0.143 0.000 2.200 126 Y HA -0.212 4.295 4.550 -0.072 0.000 0.290 126 Y C 2.088 177.996 175.900 0.014 0.000 1.137 126 Y CA 0.625 58.782 58.100 0.097 0.000 1.163 126 Y CB 0.064 38.545 38.460 0.035 0.000 0.988 126 Y HN 0.038 nan 8.280 nan 0.000 0.518 127 D N 0.415 120.919 120.400 0.173 0.000 2.149 127 D HA -0.207 4.347 4.640 -0.143 0.000 0.194 127 D C 1.730 178.046 176.300 0.028 0.000 1.001 127 D CA 1.486 55.526 54.000 0.066 0.000 0.849 127 D CB -0.259 40.566 40.800 0.042 0.000 0.939 127 D HN 0.303 nan 8.370 nan 0.000 0.449 128 K N -0.109 120.311 120.400 0.033 0.000 2.360 128 K HA -0.063 4.171 4.320 -0.143 0.000 0.201 128 K C 1.681 178.283 176.600 0.003 0.000 1.046 128 K CA 0.390 56.678 56.287 0.002 0.000 0.945 128 K CB 0.253 32.748 32.500 -0.008 0.000 0.750 128 K HN 0.216 nan 8.250 nan 0.000 0.464 129 I N 1.275 121.872 120.570 0.044 0.000 2.867 129 I HA -0.074 4.010 4.170 -0.143 0.000 0.265 129 I C 1.066 177.174 176.117 -0.015 0.000 1.162 129 I CA 0.611 61.936 61.300 0.041 0.000 1.471 129 I CB -0.803 37.282 38.000 0.141 0.000 1.123 129 I HN 0.123 nan 8.210 nan 0.000 0.440 130 K N 1.581 121.963 120.400 -0.031 0.000 2.140 130 K HA 0.483 4.717 4.320 -0.143 0.000 0.237 130 K C 0.793 177.326 176.600 -0.111 0.000 1.045 130 K CA 0.205 56.442 56.287 -0.082 0.000 0.896 130 K CB 0.288 32.733 32.500 -0.091 0.000 1.122 130 K HN 0.176 nan 8.250 nan 0.000 0.503 131 G N -0.195 108.522 108.800 -0.138 0.000 2.645 131 G HA2 -0.269 3.606 3.960 -0.143 0.000 0.239 131 G HA3 -0.269 3.606 3.960 -0.143 0.000 0.239 131 G C -0.692 174.108 174.900 -0.167 0.000 1.331 131 G CA -0.098 44.887 45.100 -0.191 0.000 0.890 131 G HN 0.660 nan 8.290 nan 0.000 0.572 132 S N 0.550 116.123 115.700 -0.211 0.000 2.485 132 S HA 0.584 4.968 4.470 -0.143 0.000 0.312 132 S C 1.134 175.675 174.600 -0.098 0.000 1.102 132 S CA 0.759 58.877 58.200 -0.137 0.000 1.066 132 S CB 0.237 63.347 63.200 -0.151 0.000 1.102 132 S HN 1.832 nan 8.310 nan 0.000 0.519 133 A N 4.527 127.306 122.820 -0.068 0.000 2.085 133 A HA 0.233 4.467 4.320 -0.143 0.000 0.208 133 A C 1.677 179.248 177.584 -0.023 0.000 1.191 133 A CA 0.280 52.291 52.037 -0.044 0.000 0.799 133 A CB -0.199 18.774 19.000 -0.044 0.000 0.877 133 A HN 0.608 nan 8.150 nan 0.000 0.473 134 V N 0.969 120.870 119.914 -0.022 0.000 2.249 134 V HA -0.189 3.846 4.120 -0.143 0.000 0.239 134 V C 2.240 178.331 176.094 -0.005 0.000 1.038 134 V CA 1.865 64.156 62.300 -0.016 0.000 1.005 134 V CB -0.960 30.849 31.823 -0.023 0.000 0.646 134 V HN 0.498 nan 8.190 nan 0.000 0.455 135 N N 0.462 119.166 118.700 0.006 0.000 2.021 135 N HA -0.179 4.476 4.740 -0.143 0.000 0.198 135 N C -0.268 175.263 175.510 0.035 0.000 1.041 135 N CA 2.334 55.397 53.050 0.022 0.000 0.862 135 N CB -1.907 36.613 38.487 0.056 0.000 1.048 135 N HN 0.361 nan 8.380 nan 0.000 0.427 136 P HA -0.103 nan 4.420 nan 0.000 0.217 136 P C 1.722 179.037 177.300 0.025 0.000 1.148 136 P CA 0.803 63.948 63.100 0.075 0.000 0.834 136 P CB 0.086 31.845 31.700 0.098 0.000 0.783 137 V N -0.574 119.347 119.914 0.012 0.000 2.232 137 V HA -0.217 3.817 4.120 -0.143 0.000 0.239 137 V C 2.466 178.552 176.094 -0.013 0.000 1.040 137 V CA 1.594 63.893 62.300 -0.002 0.000 0.996 137 V CB -1.441 30.379 31.823 -0.005 0.000 0.638 137 V HN 0.018 nan 8.190 nan 0.000 0.453 138 L N -0.215 120.997 121.223 -0.018 0.000 2.064 138 L HA -0.221 4.034 4.340 -0.143 0.000 0.216 138 L C 1.596 178.438 176.870 -0.047 0.000 1.077 138 L CA 1.414 56.235 54.840 -0.031 0.000 0.766 138 L CB -0.537 41.501 42.059 -0.035 0.000 0.890 138 L HN 0.294 nan 8.230 nan 0.000 0.435 139 R N 1.491 121.962 120.500 -0.048 0.000 3.572 139 R HA -0.002 4.253 4.340 -0.143 0.000 0.186 139 R C -0.191 176.066 176.300 -0.071 0.000 1.727 139 R CA -0.029 56.028 56.100 -0.072 0.000 1.267 139 R CB -0.230 30.021 30.300 -0.081 0.000 1.318 139 R HN 0.113 nan 8.270 nan 0.000 0.718 140 E N 1.747 121.907 120.200 -0.067 0.000 2.427 140 E HA 0.254 4.518 4.350 -0.143 0.000 0.259 140 E C 0.269 176.830 176.600 -0.065 0.000 1.267 140 E CA -0.168 56.198 56.400 -0.056 0.000 1.425 140 E CB 1.147 30.823 29.700 -0.039 0.000 1.482 140 E HN 0.728 nan 8.360 nan 0.000 0.460 141 G N 0.768 109.519 108.800 -0.081 0.000 2.349 141 G HA2 0.129 4.003 3.960 -0.143 0.000 0.294 141 G HA3 0.129 4.003 3.960 -0.143 0.000 0.294 141 G C -1.129 173.715 174.900 -0.093 0.000 1.380 141 G CA -0.897 44.155 45.100 -0.079 0.000 0.811 141 G HN 0.064 nan 8.290 nan 0.000 0.519 142 N N 0.092 118.749 118.700 -0.071 0.000 2.456 142 N HA 0.567 5.221 4.740 -0.143 0.000 0.296 142 N C 0.113 175.578 175.510 -0.076 0.000 1.102 142 N CA -0.311 52.699 53.050 -0.068 0.000 0.924 142 N CB 1.880 40.381 38.487 0.023 0.000 1.186 142 N HN 0.599 nan 8.380 nan 0.000 0.492 143 S N 0.241 115.883 115.700 -0.097 0.000 2.576 143 S HA 0.105 4.490 4.470 -0.143 0.000 0.276 143 S C -0.489 174.069 174.600 -0.070 0.000 1.339 143 S CA -0.181 57.958 58.200 -0.101 0.000 1.039 143 S CB 0.344 63.465 63.200 -0.132 0.000 0.902 143 S HN 0.582 nan 8.310 nan 0.000 0.516 144 D N 2.154 122.507 120.400 -0.077 0.000 2.328 144 D HA 0.292 4.846 4.640 -0.143 0.000 0.243 144 D C -0.789 175.476 176.300 -0.058 0.000 1.324 144 D CA -0.328 53.633 54.000 -0.065 0.000 0.966 144 D CB 0.513 41.278 40.800 -0.058 0.000 1.324 144 D HN 0.533 nan 8.370 nan 0.000 0.549 145 R N 2.423 122.887 120.500 -0.061 0.000 2.532 145 R HA 0.801 5.055 4.340 -0.143 0.000 0.295 145 R C -0.264 176.011 176.300 -0.042 0.000 0.968 145 R CA -0.927 55.144 56.100 -0.049 0.000 0.916 145 R CB 1.857 32.124 30.300 -0.054 0.000 1.124 145 R HN 0.452 nan 8.270 nan 0.000 0.463 146 R N 0.462 120.944 120.500 -0.030 0.000 2.808 146 R HA 0.316 4.571 4.340 -0.143 0.000 0.254 146 R C -1.689 174.601 176.300 -0.017 0.000 1.145 146 R CA -0.804 55.280 56.100 -0.026 0.000 1.066 146 R CB 0.908 31.192 30.300 -0.027 0.000 1.268 146 R HN 0.631 nan 8.270 nan 0.000 0.447 147 A N 4.349 127.160 122.820 -0.014 0.000 2.491 147 A HA 0.403 4.638 4.320 -0.143 0.000 0.261 147 A C -2.016 175.568 177.584 -0.000 0.000 1.101 147 A CA -1.172 50.861 52.037 -0.007 0.000 0.772 147 A CB -0.245 18.755 19.000 -0.000 0.000 1.043 147 A HN 0.503 nan 8.150 nan 0.000 0.501 148 P HA 0.058 nan 4.420 nan 0.000 0.267 148 P C 1.175 178.484 177.300 0.015 0.000 1.205 148 P CA -0.401 62.703 63.100 0.006 0.000 0.765 148 P CB 0.594 32.297 31.700 0.004 0.000 0.828 149 L N 4.281 125.512 121.223 0.014 0.000 2.017 149 L HA -0.411 3.844 4.340 -0.143 0.000 0.234 149 L C 2.302 179.195 176.870 0.039 0.000 1.097 149 L CA 3.006 57.859 54.840 0.022 0.000 0.816 149 L CB -1.518 40.550 42.059 0.016 0.000 0.914 149 L HN 0.545 nan 8.230 nan 0.000 0.444 150 S N -1.704 114.017 115.700 0.035 0.000 2.406 150 S HA -0.324 4.061 4.470 -0.143 0.000 0.242 150 S C 1.870 176.525 174.600 0.091 0.000 1.079 150 S CA 2.300 60.531 58.200 0.052 0.000 1.133 150 S CB -1.705 61.510 63.200 0.025 0.000 1.005 150 S HN 0.343 nan 8.310 nan 0.000 0.443 151 V N 2.547 122.501 119.914 0.067 0.000 2.343 151 V HA -0.158 3.876 4.120 -0.143 0.000 0.247 151 V C 2.776 178.961 176.094 0.151 0.000 1.051 151 V CA 2.269 64.627 62.300 0.097 0.000 1.036 151 V CB -0.964 30.880 31.823 0.034 0.000 0.654 151 V HN 0.491 nan 8.190 nan 0.000 0.451 152 K N 0.981 121.437 120.400 0.094 0.000 2.057 152 K HA -0.152 4.082 4.320 -0.143 0.000 0.207 152 K C 1.915 178.575 176.600 0.100 0.000 1.049 152 K CA 1.572 57.911 56.287 0.086 0.000 0.931 152 K CB -0.516 32.012 32.500 0.047 0.000 0.714 152 K HN 0.404 nan 8.250 nan 0.000 0.440 153 N N -0.581 118.180 118.700 0.102 0.000 2.244 153 N HA -0.158 4.496 4.740 -0.143 0.000 0.183 153 N C 1.588 177.183 175.510 0.142 0.000 1.016 153 N CA 1.060 54.168 53.050 0.097 0.000 0.866 153 N CB -0.224 38.312 38.487 0.082 0.000 0.980 153 N HN 0.311 nan 8.380 nan 0.000 0.430 154 Y N 1.650 121.995 120.300 0.074 0.000 2.163 154 Y HA -0.081 4.384 4.550 -0.143 0.000 0.288 154 Y C 2.299 178.299 175.900 0.167 0.000 1.136 154 Y CA 1.676 59.843 58.100 0.112 0.000 1.147 154 Y CB -0.552 37.931 38.460 0.037 0.000 0.987 154 Y HN 0.036 nan 8.280 nan 0.000 0.509 155 A N 0.803 123.695 122.820 0.120 0.000 1.908 155 A HA -0.208 4.027 4.320 -0.143 0.000 0.218 155 A C 2.363 179.958 177.584 0.019 0.000 1.181 155 A CA 1.852 53.940 52.037 0.086 0.000 0.627 155 A CB -0.728 18.388 19.000 0.194 0.000 0.818 155 A HN 0.541 nan 8.150 nan 0.000 0.445 156 R N -0.928 119.587 120.500 0.025 0.000 2.120 156 R HA -0.063 4.192 4.340 -0.143 0.000 0.234 156 R C 1.218 177.482 176.300 -0.060 0.000 1.123 156 R CA 1.238 57.335 56.100 -0.005 0.000 0.975 156 R CB -0.008 30.299 30.300 0.011 0.000 0.866 156 R HN 0.251 nan 8.270 nan 0.000 0.446 157 K N -0.723 119.624 120.400 -0.088 0.000 2.353 157 K HA 0.068 4.303 4.320 -0.143 0.000 0.195 157 K C -0.116 176.224 176.600 -0.433 0.000 1.031 157 K CA 0.564 56.733 56.287 -0.197 0.000 1.079 157 K CB 0.596 33.009 32.500 -0.145 0.000 0.857 157 K HN 0.241 nan 8.250 nan 0.000 0.535 158 H N 0.093 118.980 119.070 -0.305 0.000 2.535 158 H HA 0.255 4.726 4.556 -0.142 0.000 0.232 158 H C -2.590 172.612 175.328 -0.210 0.000 1.405 158 H CA -1.790 54.062 56.048 -0.326 0.000 1.224 158 H CB 0.415 29.790 29.762 -0.645 0.000 1.763 158 H HN -0.104 nan 8.280 nan 0.000 0.529 159 P HA -0.079 nan 4.420 nan 0.000 0.262 159 P C -0.018 177.234 177.300 -0.080 0.000 1.182 159 P CA 0.373 63.401 63.100 -0.120 0.000 0.761 159 P CB 0.427 32.032 31.700 -0.159 0.000 0.795 160 H N 2.399 121.491 119.070 0.037 0.000 2.562 160 H HA 0.211 4.682 4.556 -0.142 0.000 0.352 160 H C 0.381 175.743 175.328 0.057 0.000 1.125 160 H CA -0.937 55.144 56.048 0.055 0.000 1.379 160 H CB 0.422 30.225 29.762 0.068 0.000 1.464 160 H HN 0.397 nan 8.280 nan 0.000 0.563 161 K N 2.186 122.636 120.400 0.084 0.000 2.440 161 K HA 0.145 4.380 4.320 -0.143 0.000 0.270 161 K C -0.400 176.241 176.600 0.069 0.000 0.980 161 K CA 0.021 56.334 56.287 0.043 0.000 0.953 161 K CB 0.420 32.957 32.500 0.062 0.000 0.925 161 K HN 0.420 nan 8.250 nan 0.000 0.497 162 M N 2.169 121.798 119.600 0.049 0.000 2.213 162 M HA 0.235 4.630 4.480 -0.143 0.000 0.286 162 M C -0.184 176.166 176.300 0.084 0.000 1.008 162 M CA -0.537 54.826 55.300 0.105 0.000 0.937 162 M CB 1.649 34.316 32.600 0.112 0.000 1.600 162 M HN 0.972 nan 8.290 nan 0.000 0.450 163 G N 2.343 111.184 108.800 0.068 0.000 2.305 163 G HA2 0.369 4.244 3.960 -0.143 0.000 0.243 163 G HA3 0.369 4.244 3.960 -0.143 0.000 0.243 163 G C 0.262 175.142 174.900 -0.033 0.000 1.288 163 G CA -0.250 44.824 45.100 -0.042 0.000 0.901 163 G HN 0.912 nan 8.290 nan 0.000 0.516 164 A N 2.352 125.133 122.820 -0.065 0.000 2.477 164 A HA 0.442 4.676 4.320 -0.143 0.000 0.246 164 A C -0.537 176.995 177.584 -0.086 0.000 1.078 164 A CA -0.096 51.932 52.037 -0.014 0.000 0.770 164 A CB 0.279 19.263 19.000 -0.028 0.000 1.011 164 A HN 0.682 nan 8.150 nan 0.000 0.494 165 W N 1.518 122.798 121.300 -0.034 0.000 2.478 165 W HA 0.511 5.085 4.660 -0.144 0.000 0.318 165 W C 0.551 177.047 176.519 -0.038 0.000 1.062 165 W CA 0.085 57.407 57.345 -0.039 0.000 1.210 165 W CB 1.930 31.358 29.460 -0.054 0.000 1.325 165 W HN 0.655 nan 8.180 nan 0.000 0.496 166 S N 2.413 118.207 115.700 0.157 0.000 2.462 166 S HA 0.524 4.908 4.470 -0.143 0.000 0.294 166 S C 0.888 175.578 174.600 0.151 0.000 1.144 166 S CA -0.131 58.129 58.200 0.100 0.000 1.088 166 S CB 1.253 64.460 63.200 0.012 0.000 1.009 166 S HN 0.602 nan 8.310 nan 0.000 0.484 167 A N 3.411 126.287 122.820 0.093 0.000 2.121 167 A HA 0.004 4.238 4.320 -0.143 0.000 0.218 167 A C 0.919 178.538 177.584 0.057 0.000 1.154 167 A CA 1.372 53.450 52.037 0.068 0.000 0.679 167 A CB -0.468 18.542 19.000 0.017 0.000 0.795 167 A HN 0.895 nan 8.150 nan 0.000 0.458 168 D N -0.983 119.446 120.400 0.048 0.000 2.895 168 D HA 0.265 4.820 4.640 -0.143 0.000 0.258 168 D C 0.137 176.461 176.300 0.039 0.000 1.311 168 D CA -0.094 53.926 54.000 0.033 0.000 0.843 168 D CB -0.403 40.406 40.800 0.014 0.000 1.055 168 D HN 0.024 nan 8.370 nan 0.000 0.486 169 S N 0.075 115.819 115.700 0.074 0.000 2.592 169 S HA 0.150 4.535 4.470 -0.143 0.000 0.271 169 S C 1.232 175.877 174.600 0.076 0.000 1.326 169 S CA -0.556 57.688 58.200 0.073 0.000 1.024 169 S CB 0.841 64.123 63.200 0.136 0.000 0.921 169 S HN 0.107 nan 8.310 nan 0.000 0.527 170 K N 1.932 122.371 120.400 0.064 0.000 2.262 170 K HA 0.139 4.374 4.320 -0.143 0.000 0.200 170 K C 0.759 177.468 176.600 0.182 0.000 1.049 170 K CA 0.208 56.539 56.287 0.074 0.000 0.979 170 K CB -0.620 31.915 32.500 0.059 0.000 0.773 170 K HN 0.531 nan 8.250 nan 0.000 0.474 171 S N 2.233 118.052 115.700 0.199 0.000 2.550 171 S HA -0.012 4.372 4.470 -0.143 0.000 0.285 171 S C 0.245 175.092 174.600 0.411 0.000 1.326 171 S CA 0.308 58.672 58.200 0.274 0.000 1.037 171 S CB -0.000 63.305 63.200 0.175 0.000 0.838 171 S HN 0.462 nan 8.310 nan 0.000 0.519 172 H N -2.274 116.864 119.070 0.114 0.000 2.894 172 H HA 0.425 4.896 4.556 -0.141 0.000 0.282 172 H C -1.976 173.423 175.328 0.118 0.000 1.448 172 H CA -0.918 55.199 56.048 0.115 0.000 1.158 172 H CB -0.135 29.690 29.762 0.105 0.000 1.818 172 H HN 0.372 nan 8.280 nan 0.000 0.493 173 V N 0.542 120.498 119.914 0.070 0.000 2.513 173 V HA 0.720 4.755 4.120 -0.143 0.000 0.299 173 V C 0.370 176.546 176.094 0.137 0.000 1.035 173 V CA -0.214 62.102 62.300 0.026 0.000 0.889 173 V CB 1.125 32.980 31.823 0.053 0.000 0.988 173 V HN 1.007 nan 8.190 nan 0.000 0.440 174 A N 4.557 127.481 122.820 0.173 0.000 2.303 174 A HA 0.851 5.085 4.320 -0.143 0.000 0.320 174 A C -0.569 177.392 177.584 0.629 0.000 1.192 174 A CA -0.463 51.804 52.037 0.383 0.000 0.821 174 A CB 0.445 19.573 19.000 0.214 0.000 1.188 174 A HN 1.071 nan 8.150 nan 0.000 0.492 175 H N 0.793 120.101 119.070 0.398 0.000 2.895 175 H HA 0.634 5.104 4.556 -0.143 0.000 0.373 175 H C -0.703 174.693 175.328 0.113 0.000 1.174 175 H CA -1.536 54.624 56.048 0.187 0.000 1.144 175 H CB 0.353 30.151 29.762 0.060 0.000 1.793 175 H HN 0.558 nan 8.280 nan 0.000 0.551 176 M N 1.264 120.540 119.600 -0.540 0.000 2.250 176 M HA 0.021 4.415 4.480 -0.143 0.000 0.325 176 M C 0.443 176.607 176.300 -0.226 0.000 1.084 176 M CA 0.435 55.471 55.300 -0.440 0.000 1.161 176 M CB 0.425 32.703 32.600 -0.536 0.000 1.481 176 M HN 0.591 nan 8.290 nan 0.000 0.449 177 D N 0.133 120.473 120.400 -0.099 0.000 2.380 177 D HA 0.089 4.644 4.640 -0.143 0.000 0.212 177 D C -0.156 176.127 176.300 -0.030 0.000 1.021 177 D CA 0.628 54.571 54.000 -0.094 0.000 0.884 177 D CB 0.417 41.188 40.800 -0.048 0.000 1.001 177 D HN 0.681 nan 8.370 nan 0.000 0.506 178 N N -1.221 117.471 118.700 -0.013 0.000 2.455 178 N HA 0.269 4.924 4.740 -0.143 0.000 0.278 178 N C 0.320 175.825 175.510 -0.009 0.000 1.291 178 N CA -0.366 52.689 53.050 0.008 0.000 0.780 178 N CB 1.789 40.287 38.487 0.018 0.000 1.520 178 N HN -0.085 nan 8.380 nan 0.000 0.486 179 G N 1.136 109.935 108.800 -0.002 0.000 2.290 179 G HA2 -0.179 3.695 3.960 -0.143 0.000 0.270 179 G HA3 -0.179 3.695 3.960 -0.143 0.000 0.270 179 G C -0.801 174.052 174.900 -0.079 0.000 0.891 179 G CA 0.976 46.059 45.100 -0.029 0.000 1.321 179 G HN 1.160 nan 8.290 nan 0.000 0.425 180 D N -0.558 119.797 120.400 -0.075 0.000 2.744 180 D HA 0.489 5.043 4.640 -0.143 0.000 0.304 180 D C 0.986 177.206 176.300 -0.134 0.000 1.179 180 D CA -1.236 52.676 54.000 -0.146 0.000 1.024 180 D CB 0.113 40.880 40.800 -0.055 0.000 1.453 180 D HN 0.011 nan 8.370 nan 0.000 0.529 181 F N -0.530 119.431 119.950 0.018 0.000 2.026 181 F HA -0.151 4.289 4.527 -0.145 0.000 0.296 181 F C 2.494 178.298 175.800 0.006 0.000 1.133 181 F CA 1.555 59.548 58.000 -0.011 0.000 1.188 181 F CB -0.699 38.286 39.000 -0.024 0.000 0.968 181 F HN 0.456 nan 8.300 nan 0.000 0.476 182 Y N 1.044 121.420 120.300 0.127 0.000 1.977 182 Y HA -0.305 4.159 4.550 -0.144 0.000 0.264 182 Y C 2.512 178.427 175.900 0.025 0.000 1.167 182 Y CA 1.848 59.969 58.100 0.035 0.000 1.102 182 Y CB -1.124 37.337 38.460 0.003 0.000 0.948 182 Y HN 0.034 nan 8.280 nan 0.000 0.489 183 G N -1.788 107.173 108.800 0.268 0.000 2.535 183 G HA2 -0.243 3.631 3.960 -0.143 0.000 0.218 183 G HA3 -0.243 3.631 3.960 -0.143 0.000 0.218 183 G C 1.681 176.583 174.900 0.003 0.000 1.122 183 G CA 1.026 46.201 45.100 0.125 0.000 0.769 183 G HN 0.486 nan 8.290 nan 0.000 0.549 184 S N -0.663 115.032 115.700 -0.009 0.000 2.503 184 S HA 0.144 4.529 4.470 -0.143 0.000 0.215 184 S C 0.931 175.517 174.600 -0.023 0.000 1.003 184 S CA -0.125 58.065 58.200 -0.017 0.000 0.910 184 S CB -0.081 63.099 63.200 -0.034 0.000 0.790 184 S HN 0.495 nan 8.310 nan 0.000 0.514 185 E N 1.451 121.620 120.200 -0.052 0.000 2.598 185 E HA -0.033 4.231 4.350 -0.143 0.000 0.273 185 E C -0.731 175.854 176.600 -0.025 0.000 1.029 185 E CA 0.968 57.337 56.400 -0.052 0.000 0.985 185 E CB 0.303 29.944 29.700 -0.098 0.000 0.988 185 E HN 0.273 nan 8.360 nan 0.000 0.460 186 K N 1.212 121.610 120.400 -0.003 0.000 2.635 186 K HA 0.425 4.660 4.320 -0.143 0.000 0.266 186 K C -1.549 175.073 176.600 0.036 0.000 1.033 186 K CA -0.426 55.873 56.287 0.021 0.000 0.919 186 K CB 1.674 34.201 32.500 0.045 0.000 1.289 186 K HN 0.469 nan 8.250 nan 0.000 0.463 187 A N 1.751 124.594 122.820 0.039 0.000 2.299 187 A HA 0.978 5.213 4.320 -0.143 0.000 0.332 187 A C -1.076 176.533 177.584 0.043 0.000 1.131 187 A CA -0.525 51.544 52.037 0.053 0.000 0.844 187 A CB 1.475 20.509 19.000 0.057 0.000 1.251 187 A HN 0.681 nan 8.150 nan 0.000 0.486 188 A N -0.012 122.836 122.820 0.046 0.000 2.547 188 A HA 0.590 4.824 4.320 -0.143 0.000 0.297 188 A C -1.569 176.035 177.584 0.034 0.000 1.056 188 A CA -0.424 51.637 52.037 0.039 0.000 0.688 188 A CB 1.208 20.238 19.000 0.049 0.000 1.282 188 A HN 1.666 nan 8.150 nan 0.000 0.400 189 L N 3.825 125.063 121.223 0.024 0.000 2.264 189 L HA 0.478 4.732 4.340 -0.143 0.000 0.287 189 L C -0.476 176.410 176.870 0.027 0.000 1.039 189 L CA -0.611 54.242 54.840 0.022 0.000 0.829 189 L CB 0.237 42.304 42.059 0.013 0.000 1.211 189 L HN 0.563 nan 8.230 nan 0.000 0.427 190 I N 4.985 125.575 120.570 0.032 0.000 2.752 190 I HA 0.049 4.133 4.170 -0.143 0.000 0.289 190 I C 1.420 177.554 176.117 0.028 0.000 1.197 190 I CA 0.720 62.039 61.300 0.032 0.000 1.432 190 I CB 0.382 38.404 38.000 0.036 0.000 1.359 190 I HN 0.784 nan 8.210 nan 0.000 0.571 191 G N 5.539 114.354 108.800 0.024 0.000 2.570 191 G HA2 0.317 4.191 3.960 -0.143 0.000 0.209 191 G HA3 0.317 4.191 3.960 -0.143 0.000 0.209 191 G C 0.413 175.325 174.900 0.020 0.000 1.168 191 G CA 0.590 45.703 45.100 0.020 0.000 0.831 191 G HN 0.701 nan 8.290 nan 0.000 0.564 192 A N 0.212 123.044 122.820 0.020 0.000 2.340 192 A HA 0.742 4.976 4.320 -0.143 0.000 0.331 192 A C -2.779 174.818 177.584 0.021 0.000 1.140 192 A CA -1.375 50.673 52.037 0.019 0.000 0.801 192 A CB 1.147 20.156 19.000 0.016 0.000 1.234 192 A HN 0.103 nan 8.150 nan 0.000 0.469 193 P HA 0.353 nan 4.420 nan 0.000 0.264 193 P C 0.542 177.854 177.300 0.019 0.000 1.229 193 P CA 0.956 64.068 63.100 0.020 0.000 0.780 193 P CB 0.837 32.548 31.700 0.019 0.000 0.808 194 G N 1.471 110.285 108.800 0.022 0.000 2.899 194 G HA2 0.607 4.481 3.960 -0.143 0.000 0.137 194 G HA3 0.607 4.481 3.960 -0.143 0.000 0.137 194 G C -1.093 173.822 174.900 0.024 0.000 1.198 194 G CA -0.052 45.061 45.100 0.021 0.000 1.126 194 G HN 0.571 nan 8.290 nan 0.000 0.589 195 S N -1.449 114.267 115.700 0.026 0.000 2.565 195 S HA 0.733 5.117 4.470 -0.143 0.000 0.269 195 S C -1.026 173.594 174.600 0.033 0.000 1.153 195 S CA -0.003 58.215 58.200 0.031 0.000 0.835 195 S CB 1.354 64.570 63.200 0.027 0.000 1.122 195 S HN 2.023 nan 8.310 nan 0.000 0.462 196 V N -0.972 118.967 119.914 0.042 0.000 2.914 196 V HA 0.808 4.842 4.120 -0.143 0.000 0.314 196 V C -0.690 175.428 176.094 0.039 0.000 1.084 196 V CA -0.880 61.446 62.300 0.044 0.000 0.963 196 V CB 1.763 33.625 31.823 0.064 0.000 1.025 196 V HN 1.192 nan 8.190 nan 0.000 0.432 197 K N 2.980 123.393 120.400 0.021 0.000 2.244 197 K HA 0.637 4.871 4.320 -0.143 0.000 0.260 197 K C -1.388 175.195 176.600 -0.029 0.000 0.951 197 K CA -0.797 55.487 56.287 -0.005 0.000 0.826 197 K CB 1.799 34.286 32.500 -0.022 0.000 1.108 197 K HN 0.862 nan 8.250 nan 0.000 0.433 198 I N 3.991 124.520 120.570 -0.069 0.000 2.306 198 I HA 0.198 4.283 4.170 -0.143 0.000 0.288 198 I C -0.164 175.769 176.117 -0.306 0.000 1.036 198 I CA -0.288 60.907 61.300 -0.176 0.000 1.221 198 I CB 1.192 39.094 38.000 -0.163 0.000 1.385 198 I HN 0.618 nan 8.210 nan 0.000 0.472 199 E N 6.081 126.112 120.200 -0.283 0.000 2.266 199 E HA 0.459 4.724 4.350 -0.143 0.000 0.268 199 E C -1.655 174.769 176.600 -0.292 0.000 0.879 199 E CA -0.973 55.266 56.400 -0.269 0.000 0.762 199 E CB 2.598 32.200 29.700 -0.164 0.000 1.199 199 E HN 0.376 nan 8.360 nan 0.000 0.422 200 L N 4.779 125.838 121.223 -0.274 0.000 2.307 200 L HA 0.419 4.673 4.340 -0.143 0.000 0.282 200 L C -1.283 175.497 176.870 -0.149 0.000 1.051 200 L CA -0.430 54.269 54.840 -0.234 0.000 0.804 200 L CB 1.177 43.100 42.059 -0.226 0.000 1.197 200 L HN 0.481 nan 8.230 nan 0.000 0.431 201 I N 5.716 126.215 120.570 -0.120 0.000 2.405 201 I HA 0.418 4.502 4.170 -0.143 0.000 0.280 201 I C 0.444 176.523 176.117 -0.063 0.000 1.027 201 I CA -0.576 60.676 61.300 -0.080 0.000 1.161 201 I CB 0.541 38.502 38.000 -0.066 0.000 1.300 201 I HN 0.766 nan 8.210 nan 0.000 0.463 202 A N 6.363 129.150 122.820 -0.055 0.000 2.386 202 A HA 0.285 4.520 4.320 -0.143 0.000 0.248 202 A C 1.429 178.996 177.584 -0.029 0.000 1.082 202 A CA -0.223 51.790 52.037 -0.040 0.000 0.789 202 A CB 0.563 19.542 19.000 -0.036 0.000 1.025 202 A HN 0.606 nan 8.150 nan 0.000 0.490 203 K N 0.900 121.288 120.400 -0.021 0.000 2.160 203 K HA -0.174 4.061 4.320 -0.143 0.000 0.206 203 K C 0.772 177.364 176.600 -0.014 0.000 1.047 203 K CA 1.904 58.183 56.287 -0.015 0.000 0.930 203 K CB -0.430 32.064 32.500 -0.009 0.000 0.720 203 K HN 0.939 nan 8.250 nan 0.000 0.450 204 D N -0.759 119.633 120.400 -0.015 0.000 2.355 204 D HA 0.057 4.612 4.640 -0.143 0.000 0.253 204 D C 1.075 177.365 176.300 -0.016 0.000 1.187 204 D CA 0.707 54.699 54.000 -0.013 0.000 0.900 204 D CB -0.251 40.542 40.800 -0.012 0.000 0.915 204 D HN 0.253 nan 8.370 nan 0.000 0.516 205 G N -0.016 108.773 108.800 -0.018 0.000 2.353 205 G HA2 -0.382 3.492 3.960 -0.143 0.000 0.258 205 G HA3 -0.382 3.492 3.960 -0.143 0.000 0.258 205 G C 0.697 175.582 174.900 -0.024 0.000 1.013 205 G CA 0.864 45.952 45.100 -0.020 0.000 0.622 205 G HN 0.913 nan 8.290 nan 0.000 0.535 206 S N -0.242 115.443 115.700 -0.025 0.000 2.634 206 S HA 0.672 5.056 4.470 -0.143 0.000 0.261 206 S C 0.210 174.786 174.600 -0.041 0.000 1.271 206 S CA 0.846 59.028 58.200 -0.030 0.000 0.985 206 S CB 1.760 64.945 63.200 -0.026 0.000 0.968 206 S HN 2.059 nan 8.310 nan 0.000 0.568 207 S N -0.056 115.616 115.700 -0.047 0.000 2.571 207 S HA 0.604 4.989 4.470 -0.143 0.000 0.284 207 S C -0.929 173.629 174.600 -0.071 0.000 1.128 207 S CA -0.694 57.468 58.200 -0.064 0.000 0.970 207 S CB 1.462 64.623 63.200 -0.065 0.000 1.039 207 S HN 0.764 nan 8.310 nan 0.000 0.485 208 T N 3.100 117.598 114.554 -0.094 0.000 2.807 208 T HA 0.523 4.787 4.350 -0.143 0.000 0.279 208 T C -0.363 174.249 174.700 -0.147 0.000 0.993 208 T CA -0.459 61.581 62.100 -0.101 0.000 0.970 208 T CB 1.358 70.170 68.868 -0.094 0.000 0.950 208 T HN 0.648 nan 8.240 nan 0.000 0.441 209 V N 5.168 125.002 119.914 -0.133 0.000 2.583 209 V HA 0.268 4.302 4.120 -0.143 0.000 0.287 209 V C 0.890 176.848 176.094 -0.227 0.000 1.051 209 V CA -0.042 62.159 62.300 -0.165 0.000 1.010 209 V CB 1.132 32.892 31.823 -0.105 0.000 0.988 209 V HN 0.823 nan 8.190 nan 0.000 0.478 210 L N 3.019 124.012 121.223 -0.383 0.000 2.537 210 L HA 0.414 4.668 4.340 -0.143 0.000 0.224 210 L C 0.748 177.373 176.870 -0.409 0.000 1.065 210 L CA 0.341 54.791 54.840 -0.650 0.000 0.860 210 L CB 0.245 41.438 42.059 -1.442 0.000 1.086 210 L HN 0.536 nan 8.230 nan 0.000 0.482 211 K N -0.459 119.794 120.400 -0.245 0.000 2.592 211 K HA 0.404 4.638 4.320 -0.143 0.000 0.265 211 K C -0.111 176.470 176.600 -0.032 0.000 1.006 211 K CA 0.048 56.325 56.287 -0.016 0.000 0.907 211 K CB 1.848 34.439 32.500 0.152 0.000 1.309 211 K HN -0.080 nan 8.250 nan 0.000 0.452 212 A N 4.037 126.851 122.820 -0.009 0.000 1.903 212 A HA 0.032 4.267 4.320 -0.143 0.000 0.213 212 A C 0.015 177.604 177.584 0.010 0.000 1.185 212 A CA 0.853 52.883 52.037 -0.012 0.000 0.628 212 A CB -0.077 18.916 19.000 -0.012 0.000 0.830 212 A HN 0.593 nan 8.150 nan 0.000 0.446 213 K N -0.176 120.240 120.400 0.027 0.000 2.358 213 K HA 0.617 4.852 4.320 -0.143 0.000 0.260 213 K C -1.614 175.016 176.600 0.050 0.000 0.956 213 K CA -0.341 55.966 56.287 0.033 0.000 0.834 213 K CB 1.542 34.058 32.500 0.026 0.000 1.102 213 K HN -0.100 nan 8.250 nan 0.000 0.431 214 T N 1.627 116.213 114.554 0.054 0.000 3.089 214 T HA 0.134 4.399 4.350 -0.143 0.000 0.340 214 T C -0.583 174.149 174.700 0.053 0.000 1.008 214 T CA -0.809 61.330 62.100 0.065 0.000 1.096 214 T CB 0.918 69.842 68.868 0.093 0.000 1.024 214 T HN 0.709 nan 8.240 nan 0.000 0.477 215 S N 2.131 117.856 115.700 0.042 0.000 2.549 215 S HA 0.446 4.830 4.470 -0.143 0.000 0.286 215 S C 0.446 175.068 174.600 0.037 0.000 1.314 215 S CA -0.745 57.476 58.200 0.035 0.000 1.062 215 S CB 0.344 63.561 63.200 0.028 0.000 0.865 215 S HN 0.784 nan 8.310 nan 0.000 0.498 216 V N 0.712 120.647 119.914 0.035 0.000 2.638 216 V HA 0.567 4.602 4.120 -0.143 0.000 0.306 216 V C -0.524 175.588 176.094 0.030 0.000 1.052 216 V CA -1.053 61.268 62.300 0.035 0.000 0.885 216 V CB 1.089 32.937 31.823 0.041 0.000 0.999 216 V HN 0.958 nan 8.190 nan 0.000 0.424 217 Q N 2.504 122.321 119.800 0.029 0.000 2.237 217 Q HA 0.762 5.016 4.340 -0.143 0.000 0.219 217 Q C 0.388 176.406 176.000 0.030 0.000 0.999 217 Q CA -0.393 55.426 55.803 0.027 0.000 0.959 217 Q CB 1.487 30.240 28.738 0.025 0.000 1.173 217 Q HN 1.132 nan 8.270 nan 0.000 0.527 218 A N 0.008 122.846 122.820 0.030 0.000 2.386 218 A HA 0.449 4.683 4.320 -0.143 0.000 0.248 218 A C 1.081 178.689 177.584 0.039 0.000 1.082 218 A CA 0.498 52.554 52.037 0.032 0.000 0.789 218 A CB -0.624 18.394 19.000 0.030 0.000 1.025 218 A HN 0.961 nan 8.150 nan 0.000 0.490 219 G N 0.174 108.999 108.800 0.042 0.000 2.196 219 G HA2 -0.283 3.592 3.960 -0.143 0.000 0.268 219 G HA3 -0.283 3.592 3.960 -0.143 0.000 0.268 219 G C 0.274 175.204 174.900 0.051 0.000 0.975 219 G CA 0.840 45.972 45.100 0.053 0.000 0.648 219 G HN 1.099 nan 8.290 nan 0.000 0.538 220 E N -0.120 120.105 120.200 0.042 0.000 2.383 220 E HA 0.486 4.750 4.350 -0.143 0.000 0.264 220 E C 0.288 176.911 176.600 0.038 0.000 1.050 220 E CA -0.590 55.833 56.400 0.038 0.000 0.896 220 E CB 0.276 29.997 29.700 0.036 0.000 0.982 220 E HN 0.345 nan 8.360 nan 0.000 0.424 221 I N 6.333 126.925 120.570 0.038 0.000 2.330 221 I HA 0.284 4.368 4.170 -0.143 0.000 0.289 221 I C -0.051 176.113 176.117 0.078 0.000 1.001 221 I CA -0.632 60.690 61.300 0.036 0.000 1.193 221 I CB 0.887 38.874 38.000 -0.021 0.000 1.345 221 I HN 0.446 nan 8.210 nan 0.000 0.461 222 I N 3.943 124.558 120.570 0.076 0.000 2.509 222 I HA 0.729 4.813 4.170 -0.143 0.000 0.293 222 I C -1.482 174.688 176.117 0.088 0.000 1.020 222 I CA -0.416 60.933 61.300 0.082 0.000 1.088 222 I CB 2.052 40.094 38.000 0.070 0.000 1.267 222 I HN 0.550 nan 8.210 nan 0.000 0.430 223 D N 3.373 123.814 120.400 0.067 0.000 2.645 223 D HA 0.696 5.251 4.640 -0.143 0.000 0.228 223 D C -1.069 175.189 176.300 -0.070 0.000 1.148 223 D CA -0.619 53.402 54.000 0.035 0.000 0.860 223 D CB 2.186 43.034 40.800 0.079 0.000 1.548 223 D HN 0.722 nan 8.370 nan 0.000 0.460 224 S N 0.053 115.702 115.700 -0.085 0.000 2.536 224 S HA 0.848 5.232 4.470 -0.143 0.000 0.287 224 S C -0.697 173.774 174.600 -0.215 0.000 1.101 224 S CA -0.661 57.376 58.200 -0.273 0.000 0.950 224 S CB 1.367 64.485 63.200 -0.136 0.000 1.056 224 S HN 0.980 nan 8.310 nan 0.000 0.481 225 S N 0.655 116.162 115.700 -0.322 0.000 2.705 225 S HA 0.890 5.275 4.470 -0.143 0.000 0.280 225 S C -1.125 173.397 174.600 -0.130 0.000 1.174 225 S CA -0.706 57.431 58.200 -0.104 0.000 0.823 225 S CB 1.283 64.528 63.200 0.076 0.000 1.162 225 S HN 2.010 nan 8.310 nan 0.000 0.487 226 V N 1.036 120.874 119.914 -0.127 0.000 2.852 226 V HA 0.673 4.708 4.120 -0.143 0.000 0.300 226 V C -1.569 174.187 176.094 -0.563 0.000 1.205 226 V CA -0.624 61.538 62.300 -0.231 0.000 0.940 226 V CB 1.885 33.742 31.823 0.056 0.000 1.047 226 V HN 1.119 nan 8.190 nan 0.000 0.429 227 M N 5.881 124.915 119.600 -0.944 0.000 2.162 227 M HA 0.515 4.910 4.480 -0.143 0.000 0.356 227 M C 0.056 176.184 176.300 -0.287 0.000 1.303 227 M CA 0.784 55.614 55.300 -0.784 0.000 1.116 227 M CB 1.020 33.142 32.600 -0.798 0.000 1.632 227 M HN 0.802 nan 8.290 nan 0.000 0.469 228 S N 4.254 119.845 115.700 -0.182 0.000 2.439 228 S HA 0.204 4.589 4.470 -0.143 0.000 0.282 228 S C 1.093 175.675 174.600 -0.031 0.000 1.170 228 S CA -0.475 57.683 58.200 -0.071 0.000 1.054 228 S CB 0.304 63.477 63.200 -0.045 0.000 0.956 228 S HN 0.930 nan 8.310 nan 0.000 0.490 229 K N 4.555 124.956 120.400 0.002 0.000 2.020 229 K HA -0.224 4.010 4.320 -0.143 0.000 0.212 229 K C 1.519 178.142 176.600 0.039 0.000 1.050 229 K CA 2.493 58.797 56.287 0.029 0.000 0.929 229 K CB -0.343 32.182 32.500 0.041 0.000 0.714 229 K HN 0.836 nan 8.250 nan 0.000 0.443 230 N N 0.330 119.051 118.700 0.035 0.000 2.381 230 N HA -0.105 4.550 4.740 -0.143 0.000 0.182 230 N C 1.513 177.052 175.510 0.049 0.000 1.025 230 N CA 1.254 54.329 53.050 0.042 0.000 0.888 230 N CB -0.348 38.159 38.487 0.034 0.000 0.965 230 N HN 0.260 nan 8.380 nan 0.000 0.438 231 A N 0.418 123.261 122.820 0.037 0.000 1.930 231 A HA 0.111 4.346 4.320 -0.143 0.000 0.215 231 A C 2.084 179.718 177.584 0.084 0.000 1.176 231 A CA 0.767 52.831 52.037 0.046 0.000 0.632 231 A CB -0.662 18.344 19.000 0.009 0.000 0.819 231 A HN 0.276 nan 8.150 nan 0.000 0.445 232 L N -0.056 121.206 121.223 0.065 0.000 2.056 232 L HA -0.025 4.229 4.340 -0.143 0.000 0.207 232 L C 2.379 179.365 176.870 0.194 0.000 1.078 232 L CA 2.220 57.128 54.840 0.113 0.000 0.749 232 L CB -0.633 41.464 42.059 0.064 0.000 0.901 232 L HN 0.463 nan 8.230 nan 0.000 0.433 233 R N -0.327 120.250 120.500 0.127 0.000 2.083 233 R HA -0.194 4.060 4.340 -0.143 0.000 0.237 233 R C 2.126 178.494 176.300 0.114 0.000 1.137 233 R CA 2.244 58.411 56.100 0.112 0.000 0.951 233 R CB -0.443 29.903 30.300 0.077 0.000 0.851 233 R HN 0.555 nan 8.270 nan 0.000 0.434 234 N N -0.880 117.887 118.700 0.111 0.000 2.381 234 N HA -0.157 4.497 4.740 -0.143 0.000 0.182 234 N C 1.412 176.998 175.510 0.126 0.000 1.025 234 N CA 0.853 53.960 53.050 0.095 0.000 0.888 234 N CB -0.047 38.489 38.487 0.082 0.000 0.965 234 N HN 0.195 nan 8.380 nan 0.000 0.438 235 F N 1.649 121.616 119.950 0.028 0.000 2.094 235 F HA 0.049 4.490 4.527 -0.144 0.000 0.291 235 F C 1.927 177.753 175.800 0.044 0.000 1.109 235 F CA 0.969 58.989 58.000 0.033 0.000 1.221 235 F CB -0.248 38.774 39.000 0.037 0.000 1.014 235 F HN -0.135 nan 8.300 nan 0.000 0.473 236 I N 1.020 121.668 120.570 0.129 0.000 2.335 236 I HA -0.305 3.779 4.170 -0.143 0.000 0.251 236 I C 2.662 178.743 176.117 -0.060 0.000 1.129 236 I CA 1.159 62.461 61.300 0.002 0.000 1.402 236 I CB -1.082 37.019 38.000 0.169 0.000 1.069 236 I HN 0.319 nan 8.210 nan 0.000 0.424 237 A N 0.860 123.669 122.820 -0.019 0.000 1.902 237 A HA -0.108 4.127 4.320 -0.143 0.000 0.217 237 A C 2.577 180.116 177.584 -0.075 0.000 1.181 237 A CA 1.835 53.855 52.037 -0.029 0.000 0.623 237 A CB -0.786 18.211 19.000 -0.004 0.000 0.818 237 A HN 0.422 nan 8.150 nan 0.000 0.443 238 A N -0.425 122.329 122.820 -0.110 0.000 1.873 238 A HA -0.095 4.140 4.320 -0.143 0.000 0.215 238 A C 1.878 179.366 177.584 -0.159 0.000 1.186 238 A CA 1.592 53.557 52.037 -0.120 0.000 0.616 238 A CB -0.440 18.492 19.000 -0.114 0.000 0.823 238 A HN 0.400 nan 8.150 nan 0.000 0.442 239 E N 0.186 120.212 120.200 -0.289 0.000 2.209 239 E HA -0.151 4.114 4.350 -0.143 0.000 0.196 239 E C 1.889 178.421 176.600 -0.113 0.000 0.993 239 E CA 0.919 57.166 56.400 -0.256 0.000 0.819 239 E CB -0.435 28.986 29.700 -0.465 0.000 0.745 239 E HN 0.755 nan 8.360 nan 0.000 0.477 240 I N 0.528 121.046 120.570 -0.087 0.000 2.141 240 I HA -0.242 3.842 4.170 -0.143 0.000 0.236 240 I C 2.511 178.601 176.117 -0.046 0.000 1.071 240 I CA 0.985 62.267 61.300 -0.030 0.000 1.345 240 I CB -0.303 37.682 38.000 -0.025 0.000 1.066 240 I HN 0.026 nan 8.210 nan 0.000 0.406 241 E N 1.544 121.705 120.200 -0.064 0.000 2.068 241 E HA -0.353 3.911 4.350 -0.143 0.000 0.207 241 E C 1.667 178.243 176.600 -0.040 0.000 1.032 241 E CA 2.446 58.811 56.400 -0.058 0.000 0.839 241 E CB -0.361 29.305 29.700 -0.057 0.000 0.758 241 E HN 0.450 nan 8.360 nan 0.000 0.457 242 D N -1.008 119.369 120.400 -0.037 0.000 2.144 242 D HA -0.108 4.447 4.640 -0.143 0.000 0.199 242 D C 1.689 177.993 176.300 0.006 0.000 0.984 242 D CA 1.635 55.624 54.000 -0.017 0.000 0.834 242 D CB -0.350 40.441 40.800 -0.015 0.000 0.955 242 D HN 0.295 nan 8.370 nan 0.000 0.465 243 A N -0.002 122.823 122.820 0.010 0.000 2.121 243 A HA -0.138 4.096 4.320 -0.143 0.000 0.218 243 A C 2.097 179.692 177.584 0.018 0.000 1.154 243 A CA 1.099 53.157 52.037 0.036 0.000 0.679 243 A CB -0.490 18.529 19.000 0.031 0.000 0.795 243 A HN 0.191 nan 8.150 nan 0.000 0.458 244 K N -0.358 120.039 120.400 -0.004 0.000 2.076 244 K HA -0.123 4.111 4.320 -0.143 0.000 0.204 244 K C 2.123 178.716 176.600 -0.012 0.000 1.051 244 K CA 1.427 57.705 56.287 -0.015 0.000 0.949 244 K CB -0.081 32.399 32.500 -0.034 0.000 0.726 244 K HN 0.267 nan 8.250 nan 0.000 0.443 245 K N 1.106 121.499 120.400 -0.011 0.000 2.002 245 K HA -0.133 4.101 4.320 -0.143 0.000 0.209 245 K C 2.052 178.649 176.600 -0.005 0.000 1.048 245 K CA 1.579 57.860 56.287 -0.011 0.000 0.930 245 K CB -0.165 32.327 32.500 -0.013 0.000 0.714 245 K HN 0.066 nan 8.250 nan 0.000 0.438 246 Q N -0.515 119.288 119.800 0.005 0.000 2.308 246 Q HA -0.071 4.184 4.340 -0.143 0.000 0.209 246 Q C 0.856 176.864 176.000 0.013 0.000 0.985 246 Q CA 1.493 57.303 55.803 0.012 0.000 0.881 246 Q CB -0.347 28.416 28.738 0.042 0.000 0.917 246 Q HN 0.666 nan 8.270 nan 0.000 0.443 247 G N 0.563 109.367 108.800 0.007 0.000 2.198 247 G HA2 -0.243 3.631 3.960 -0.143 0.000 0.257 247 G HA3 -0.243 3.631 3.960 -0.143 0.000 0.257 247 G C 0.229 175.129 174.900 -0.000 0.000 1.042 247 G CA 0.426 45.523 45.100 -0.005 0.000 0.791 247 G HN 0.351 nan 8.290 nan 0.000 0.502 248 V N -2.763 117.163 119.914 0.020 0.000 3.019 248 V HA 0.868 4.903 4.120 -0.143 0.000 0.317 248 V C 0.850 176.951 176.094 0.012 0.000 1.094 248 V CA -1.806 60.514 62.300 0.033 0.000 1.000 248 V CB 1.906 33.785 31.823 0.094 0.000 1.060 248 V HN 0.316 nan 8.190 nan 0.000 0.443 249 L N 2.156 123.386 121.223 0.011 0.000 2.380 249 L HA 0.388 4.642 4.340 -0.143 0.000 0.273 249 L C -0.205 176.671 176.870 0.010 0.000 1.138 249 L CA -0.403 54.437 54.840 -0.001 0.000 0.832 249 L CB 1.172 43.236 42.059 0.009 0.000 1.124 249 L HN 0.583 nan 8.230 nan 0.000 0.454 250 L N 3.611 124.839 121.223 0.009 0.000 2.276 250 L HA 0.461 4.715 4.340 -0.143 0.000 0.286 250 L C -0.046 176.805 176.870 -0.033 0.000 1.061 250 L CA 0.368 55.213 54.840 0.008 0.000 0.807 250 L CB 1.149 43.243 42.059 0.058 0.000 1.177 250 L HN 0.710 nan 8.230 nan 0.000 0.429 251 S N 3.705 119.373 115.700 -0.053 0.000 2.540 251 S HA 0.786 5.170 4.470 -0.143 0.000 0.275 251 S C -1.041 173.432 174.600 -0.212 0.000 1.123 251 S CA -0.858 57.256 58.200 -0.144 0.000 0.907 251 S CB 1.572 64.684 63.200 -0.146 0.000 1.081 251 S HN 0.381 nan 8.310 nan 0.000 0.476 252 V N 3.802 123.557 119.914 -0.265 0.000 2.384 252 V HA 0.434 4.468 4.120 -0.143 0.000 0.287 252 V C -0.622 175.288 176.094 -0.307 0.000 1.020 252 V CA -0.508 61.696 62.300 -0.161 0.000 0.850 252 V CB 1.009 32.839 31.823 0.013 0.000 0.987 252 V HN 0.951 nan 8.190 nan 0.000 0.436 253 H N 6.284 125.398 119.070 0.074 0.000 2.572 253 H HA 0.515 4.986 4.556 -0.142 0.000 0.248 253 H C -0.434 174.934 175.328 0.066 0.000 1.397 253 H CA -0.083 55.980 56.048 0.025 0.000 1.319 253 H CB 1.061 30.778 29.762 -0.075 0.000 1.452 253 H HN 0.446 nan 8.280 nan 0.000 0.535 254 L N 0.837 122.158 121.223 0.163 0.000 2.299 254 L HA 0.412 4.666 4.340 -0.143 0.000 0.268 254 L C 0.825 177.760 176.870 0.109 0.000 1.012 254 L CA -0.748 54.190 54.840 0.163 0.000 0.816 254 L CB 1.663 43.838 42.059 0.194 0.000 1.355 254 L HN 0.188 nan 8.230 nan 0.000 0.457 255 K N 0.529 120.987 120.400 0.097 0.000 3.205 255 K HA 0.361 4.596 4.320 -0.143 0.000 0.202 255 K C -0.001 176.595 176.600 -0.008 0.000 1.160 255 K CA -0.247 56.071 56.287 0.052 0.000 0.995 255 K CB 0.585 33.143 32.500 0.096 0.000 1.041 255 K HN 0.656 nan 8.250 nan 0.000 0.507 256 A N 1.156 123.949 122.820 -0.044 0.000 2.190 256 A HA -0.021 4.214 4.320 -0.143 0.000 0.226 256 A C 1.199 178.705 177.584 -0.131 0.000 1.402 256 A CA 0.926 52.903 52.037 -0.099 0.000 1.288 256 A CB -0.822 18.059 19.000 -0.199 0.000 0.833 256 A HN 0.668 nan 8.150 nan 0.000 0.564 257 T N -4.418 110.072 114.554 -0.108 0.000 3.311 257 T HA 0.075 4.339 4.350 -0.143 0.000 0.239 257 T C 1.826 176.433 174.700 -0.155 0.000 0.976 257 T CA 0.560 62.588 62.100 -0.120 0.000 1.283 257 T CB -0.441 68.375 68.868 -0.087 0.000 1.113 257 T HN 0.136 nan 8.240 nan 0.000 0.392 258 M N 0.914 120.420 119.600 -0.157 0.000 2.132 258 M HA 0.204 4.598 4.480 -0.143 0.000 0.263 258 M C 0.617 176.788 176.300 -0.215 0.000 1.065 258 M CA 1.383 56.541 55.300 -0.236 0.000 1.122 258 M CB -0.773 31.632 32.600 -0.325 0.000 1.365 258 M HN 0.199 nan 8.290 nan 0.000 0.411 259 M N 2.678 122.220 119.600 -0.096 0.000 3.742 259 M HA 0.035 4.430 4.480 -0.143 0.000 0.197 259 M C 1.196 177.460 176.300 -0.060 0.000 1.417 259 M CA 0.265 55.576 55.300 0.018 0.000 1.653 259 M CB -1.361 31.240 32.600 0.003 0.000 1.079 259 M HN 0.274 nan 8.290 nan 0.000 0.558 260 K N -1.119 119.139 120.400 -0.237 0.000 2.293 260 K HA -0.133 4.101 4.320 -0.143 0.000 0.204 260 K C 1.185 177.732 176.600 -0.089 0.000 1.045 260 K CA 1.325 57.490 56.287 -0.203 0.000 0.933 260 K CB -0.434 31.876 32.500 -0.317 0.000 0.736 260 K HN 0.305 nan 8.250 nan 0.000 0.463 261 V N 1.152 121.060 119.914 -0.008 0.000 2.490 261 V HA -0.146 3.888 4.120 -0.143 0.000 0.238 261 V C 2.594 178.715 176.094 0.045 0.000 1.056 261 V CA 1.542 63.852 62.300 0.018 0.000 1.075 261 V CB 0.370 32.207 31.823 0.023 0.000 0.746 261 V HN 0.573 nan 8.190 nan 0.000 0.479 262 S N -0.069 115.672 115.700 0.069 0.000 2.388 262 S HA -0.140 4.245 4.470 -0.143 0.000 0.223 262 S C 1.577 176.256 174.600 0.132 0.000 1.034 262 S CA 1.268 59.541 58.200 0.120 0.000 0.963 262 S CB -0.479 62.817 63.200 0.160 0.000 0.827 262 S HN 0.475 nan 8.310 nan 0.000 0.481 263 D N 3.191 123.649 120.400 0.097 0.000 2.117 263 D HA 0.051 4.605 4.640 -0.143 0.000 0.197 263 D C -0.794 175.587 176.300 0.136 0.000 0.987 263 D CA 1.067 55.138 54.000 0.119 0.000 0.829 263 D CB -1.265 39.581 40.800 0.076 0.000 0.961 263 D HN 0.375 nan 8.370 nan 0.000 0.460 264 P HA -0.065 nan 4.420 nan 0.000 0.218 264 P C 1.324 178.724 177.300 0.168 0.000 1.149 264 P CA 0.821 63.974 63.100 0.088 0.000 0.817 264 P CB 0.113 31.815 31.700 0.004 0.000 0.785 265 I N -1.803 118.845 120.570 0.131 0.000 2.202 265 I HA -0.237 3.848 4.170 -0.143 0.000 0.242 265 I C 2.321 178.528 176.117 0.150 0.000 1.091 265 I CA 1.587 62.962 61.300 0.125 0.000 1.368 265 I CB -0.532 37.535 38.000 0.112 0.000 1.058 265 I HN -0.077 nan 8.210 nan 0.000 0.410 266 M N -0.469 119.238 119.600 0.179 0.000 2.117 266 M HA -0.217 4.178 4.480 -0.143 0.000 0.262 266 M C 2.388 178.803 176.300 0.192 0.000 1.065 266 M CA 1.855 57.263 55.300 0.179 0.000 1.114 266 M CB -0.529 32.191 32.600 0.201 0.000 1.361 266 M HN 0.167 nan 8.290 nan 0.000 0.408 267 F N 1.296 121.291 119.950 0.076 0.000 2.065 267 F HA -0.162 4.285 4.527 -0.134 0.000 0.298 267 F C 2.302 178.142 175.800 0.067 0.000 1.112 267 F CA 2.015 60.054 58.000 0.065 0.000 1.212 267 F CB -0.939 38.086 39.000 0.040 0.000 0.975 267 F HN 0.098 nan 8.300 nan 0.000 0.476 268 G N -0.808 108.076 108.800 0.141 0.000 2.440 268 G HA2 -0.276 3.599 3.960 -0.143 0.000 0.218 268 G HA3 -0.276 3.599 3.960 -0.143 0.000 0.218 268 G C 1.467 176.376 174.900 0.015 0.000 1.154 268 G CA 0.801 45.920 45.100 0.031 0.000 0.767 268 G HN 0.490 nan 8.290 nan 0.000 0.552 269 Q N -0.290 119.542 119.800 0.054 0.000 2.234 269 Q HA -0.029 4.226 4.340 -0.143 0.000 0.206 269 Q C 2.490 178.534 176.000 0.073 0.000 0.980 269 Q CA 0.769 56.615 55.803 0.070 0.000 0.869 269 Q CB -0.159 28.631 28.738 0.086 0.000 0.912 269 Q HN 0.553 nan 8.270 nan 0.000 0.436 270 I N -0.336 120.251 120.570 0.028 0.000 2.188 270 I HA -0.209 3.876 4.170 -0.143 0.000 0.237 270 I C 2.103 178.256 176.117 0.059 0.000 1.073 270 I CA 0.752 62.068 61.300 0.026 0.000 1.359 270 I CB -0.337 37.618 38.000 -0.076 0.000 1.083 270 I HN 0.009 nan 8.210 nan 0.000 0.412 271 V N 0.339 120.211 119.914 -0.070 0.000 2.660 271 V HA -0.282 3.753 4.120 -0.143 0.000 0.257 271 V C 2.437 178.698 176.094 0.278 0.000 1.088 271 V CA 1.839 64.183 62.300 0.073 0.000 1.106 271 V CB -0.808 30.940 31.823 -0.125 0.000 0.686 271 V HN 0.345 nan 8.190 nan 0.000 0.481 272 S N -0.328 115.476 115.700 0.173 0.000 2.325 272 S HA -0.130 4.254 4.470 -0.143 0.000 0.214 272 S C 1.940 176.664 174.600 0.207 0.000 1.031 272 S CA 1.142 59.454 58.200 0.188 0.000 0.972 272 S CB -0.257 63.013 63.200 0.117 0.000 0.908 272 S HN 0.624 nan 8.310 nan 0.000 0.453 273 E N 0.319 120.616 120.200 0.162 0.000 2.501 273 E HA -0.053 4.211 4.350 -0.143 0.000 0.203 273 E C 1.089 177.776 176.600 0.145 0.000 1.072 273 E CA 0.490 56.967 56.400 0.128 0.000 0.885 273 E CB -0.229 29.532 29.700 0.101 0.000 0.813 273 E HN 0.539 nan 8.360 nan 0.000 0.556 274 F N -1.093 118.889 119.950 0.053 0.000 2.287 274 F HA 0.060 4.503 4.527 -0.139 0.000 0.276 274 F C 0.757 176.490 175.800 -0.113 0.000 1.047 274 F CA 0.367 58.333 58.000 -0.057 0.000 1.194 274 F CB -0.035 38.904 39.000 -0.102 0.000 1.118 274 F HN -0.058 nan 8.300 nan 0.000 0.556 275 Y N 2.746 123.264 120.300 0.362 0.000 2.471 275 Y HA 0.091 4.560 4.550 -0.136 0.000 0.321 275 Y C 1.978 177.903 175.900 0.042 0.000 1.195 275 Y CA -0.009 58.193 58.100 0.169 0.000 1.272 275 Y CB -1.412 37.142 38.460 0.156 0.000 1.097 275 Y HN 0.192 nan 8.280 nan 0.000 0.507 276 K N -0.198 120.284 120.400 0.135 0.000 2.020 276 K HA -0.253 3.982 4.320 -0.143 0.000 0.212 276 K C 1.048 177.657 176.600 0.014 0.000 1.050 276 K CA 2.218 58.548 56.287 0.072 0.000 0.929 276 K CB -0.395 32.128 32.500 0.037 0.000 0.714 276 K HN 0.187 nan 8.250 nan 0.000 0.443 277 D N 1.232 121.613 120.400 -0.031 0.000 2.133 277 D HA -0.177 4.378 4.640 -0.143 0.000 0.195 277 D C 2.083 178.330 176.300 -0.088 0.000 0.997 277 D CA 1.878 55.840 54.000 -0.065 0.000 0.840 277 D CB -0.189 40.560 40.800 -0.084 0.000 0.947 277 D HN 0.515 nan 8.370 nan 0.000 0.452 278 A N 0.771 123.558 122.820 -0.055 0.000 1.897 278 A HA -0.041 4.194 4.320 -0.143 0.000 0.215 278 A C 2.380 179.917 177.584 -0.079 0.000 1.181 278 A CA 0.604 52.597 52.037 -0.073 0.000 0.620 278 A CB -0.575 18.435 19.000 0.016 0.000 0.821 278 A HN 0.173 nan 8.150 nan 0.000 0.443 279 L N -0.635 120.588 121.223 0.001 0.000 2.395 279 L HA -0.057 4.198 4.340 -0.143 0.000 0.218 279 L C 2.292 179.159 176.870 -0.005 0.000 1.130 279 L CA 1.245 56.095 54.840 0.016 0.000 0.826 279 L CB -0.599 41.507 42.059 0.079 0.000 0.941 279 L HN 0.313 nan 8.230 nan 0.000 0.451 280 T N -0.717 113.811 114.554 -0.044 0.000 2.937 280 T HA -0.126 4.138 4.350 -0.143 0.000 0.260 280 T C 1.910 176.544 174.700 -0.110 0.000 1.051 280 T CA 0.803 62.874 62.100 -0.048 0.000 1.141 280 T CB 0.098 68.941 68.868 -0.041 0.000 0.879 280 T HN 0.230 nan 8.240 nan 0.000 0.459 281 K N 0.618 120.876 120.400 -0.237 0.000 2.283 281 K HA -0.111 4.124 4.320 -0.143 0.000 0.202 281 K C 0.660 176.999 176.600 -0.436 0.000 1.048 281 K CA 1.093 57.146 56.287 -0.390 0.000 0.948 281 K CB 0.087 32.227 32.500 -0.599 0.000 0.742 281 K HN 0.372 nan 8.250 nan 0.000 0.458 282 H N -0.840 118.212 119.070 -0.029 0.000 2.492 282 H HA 0.290 4.760 4.556 -0.143 0.000 0.264 282 H C 0.994 176.308 175.328 -0.023 0.000 1.150 282 H CA 0.231 56.257 56.048 -0.037 0.000 0.962 282 H CB 0.703 30.424 29.762 -0.068 0.000 1.766 282 H HN 0.227 nan 8.280 nan 0.000 0.589 283 A N 0.990 123.842 122.820 0.055 0.000 1.915 283 A HA -0.272 3.963 4.320 -0.143 0.000 0.220 283 A C 2.264 179.885 177.584 0.062 0.000 1.198 283 A CA 2.266 54.335 52.037 0.053 0.000 0.647 283 A CB -0.149 18.870 19.000 0.031 0.000 0.825 283 A HN 0.490 nan 8.150 nan 0.000 0.456 284 E N -0.908 119.325 120.200 0.055 0.000 2.086 284 E HA -0.055 4.210 4.350 -0.143 0.000 0.190 284 E C 1.972 178.596 176.600 0.040 0.000 0.975 284 E CA 0.882 57.309 56.400 0.045 0.000 0.813 284 E CB -0.074 29.647 29.700 0.034 0.000 0.768 284 E HN 0.309 nan 8.360 nan 0.000 0.457 285 V N 1.062 120.999 119.914 0.039 0.000 2.380 285 V HA -0.252 3.783 4.120 -0.143 0.000 0.251 285 V C 2.119 178.212 176.094 -0.001 0.000 1.063 285 V CA 1.454 63.756 62.300 0.004 0.000 1.055 285 V CB -0.233 31.570 31.823 -0.033 0.000 0.657 285 V HN 0.248 nan 8.190 nan 0.000 0.455 286 L N 0.200 121.431 121.223 0.014 0.000 2.072 286 L HA -0.049 4.205 4.340 -0.143 0.000 0.205 286 L C 2.391 179.317 176.870 0.092 0.000 1.079 286 L CA 2.261 57.118 54.840 0.030 0.000 0.752 286 L CB -1.461 40.616 42.059 0.030 0.000 0.906 286 L HN 0.395 nan 8.230 nan 0.000 0.436 287 K N -0.041 120.409 120.400 0.083 0.000 2.074 287 K HA -0.209 4.025 4.320 -0.143 0.000 0.209 287 K C 2.033 178.664 176.600 0.052 0.000 1.048 287 K CA 1.581 57.911 56.287 0.073 0.000 0.926 287 K CB -0.192 32.341 32.500 0.056 0.000 0.713 287 K HN 0.385 nan 8.250 nan 0.000 0.444 288 Q N 0.172 119.994 119.800 0.037 0.000 1.921 288 Q HA -0.114 4.141 4.340 -0.143 0.000 0.208 288 Q C 2.078 178.092 176.000 0.024 0.000 0.994 288 Q CA 2.139 57.956 55.803 0.023 0.000 0.857 288 Q CB -0.426 28.319 28.738 0.011 0.000 0.925 288 Q HN 0.618 nan 8.270 nan 0.000 0.421 289 I N -1.503 119.080 120.570 0.022 0.000 3.102 289 I HA 0.058 4.143 4.170 -0.143 0.000 0.278 289 I C 0.733 176.879 176.117 0.049 0.000 1.316 289 I CA 0.685 61.999 61.300 0.024 0.000 1.425 289 I CB -1.359 36.649 38.000 0.013 0.000 1.073 289 I HN 0.311 nan 8.210 nan 0.000 0.503 290 G N 2.324 111.163 108.800 0.065 0.000 2.415 290 G HA2 -0.316 3.559 3.960 -0.143 0.000 0.283 290 G HA3 -0.316 3.559 3.960 -0.143 0.000 0.283 290 G C -0.215 174.755 174.900 0.118 0.000 1.014 290 G CA -0.005 45.138 45.100 0.072 0.000 1.323 290 G HN 0.613 nan 8.290 nan 0.000 0.502 291 F N 0.916 120.854 119.950 -0.019 0.000 2.418 291 F HA 0.533 4.981 4.527 -0.132 0.000 0.341 291 F C 0.449 176.239 175.800 -0.016 0.000 1.120 291 F CA -0.325 57.657 58.000 -0.029 0.000 1.232 291 F CB 1.325 40.298 39.000 -0.045 0.000 1.175 291 F HN 0.195 nan 8.300 nan 0.000 0.569 292 D N 5.364 125.261 120.400 -0.839 0.000 2.400 292 D HA 0.076 4.630 4.640 -0.143 0.000 0.272 292 D C 0.661 176.395 176.300 -0.944 0.000 1.220 292 D CA -0.239 53.362 54.000 -0.666 0.000 0.897 292 D CB 1.073 41.701 40.800 -0.287 0.000 1.134 292 D HN 0.420 nan 8.370 nan 0.000 0.507 293 V N 3.577 122.804 119.914 -1.146 0.000 2.428 293 V HA -0.272 3.763 4.120 -0.143 0.000 0.255 293 V C 1.319 177.287 176.094 -0.210 0.000 1.080 293 V CA 1.854 63.761 62.300 -0.654 0.000 1.083 293 V CB -0.390 31.308 31.823 -0.209 0.000 0.665 293 V HN 0.543 nan 8.190 nan 0.000 0.461 294 N N 0.666 119.283 118.700 -0.139 0.000 2.609 294 N HA -0.049 4.605 4.740 -0.143 0.000 0.190 294 N C 1.007 176.566 175.510 0.083 0.000 1.157 294 N CA 1.052 54.128 53.050 0.043 0.000 0.918 294 N CB -0.535 37.960 38.487 0.013 0.000 0.978 294 N HN 0.722 nan 8.380 nan 0.000 0.448 295 N N -0.276 118.422 118.700 -0.004 0.000 2.204 295 N HA 0.192 4.847 4.740 -0.143 0.000 0.219 295 N C 0.166 175.763 175.510 0.144 0.000 1.151 295 N CA -0.089 52.973 53.050 0.020 0.000 0.867 295 N CB 0.998 39.451 38.487 -0.056 0.000 1.043 295 N HN 0.068 nan 8.380 nan 0.000 0.516 296 G N 1.231 110.210 108.800 0.299 0.000 2.712 296 G HA2 -0.243 3.632 3.960 -0.143 0.000 0.686 296 G HA3 -0.243 3.632 3.960 -0.143 0.000 0.686 296 G C 0.297 175.298 174.900 0.168 0.000 1.321 296 G CA -0.763 44.555 45.100 0.363 0.000 0.813 296 G HN 0.107 nan 8.290 nan 0.000 0.599 297 I N 2.093 122.667 120.570 0.007 0.000 2.567 297 I HA 0.068 4.153 4.170 -0.143 0.000 0.257 297 I C 2.592 178.584 176.117 -0.209 0.000 1.184 297 I CA 2.654 63.819 61.300 -0.225 0.000 1.451 297 I CB -0.624 36.952 38.000 -0.707 0.000 1.089 297 I HN 0.970 nan 8.210 nan 0.000 0.441 298 G N -0.256 108.466 108.800 -0.131 0.000 2.469 298 G HA2 -0.381 3.494 3.960 -0.143 0.000 0.220 298 G HA3 -0.381 3.494 3.960 -0.143 0.000 0.220 298 G C 1.438 176.361 174.900 0.039 0.000 1.136 298 G CA 1.119 46.143 45.100 -0.126 0.000 0.759 298 G HN 0.486 nan 8.290 nan 0.000 0.562 299 D N -0.271 120.211 120.400 0.137 0.000 2.144 299 D HA -0.096 4.458 4.640 -0.143 0.000 0.199 299 D C 2.351 178.785 176.300 0.224 0.000 0.984 299 D CA 0.841 54.965 54.000 0.208 0.000 0.834 299 D CB -0.146 40.780 40.800 0.210 0.000 0.955 299 D HN 0.311 nan 8.370 nan 0.000 0.465 300 L N -0.575 120.710 121.223 0.104 0.000 1.970 300 L HA -0.241 4.013 4.340 -0.143 0.000 0.212 300 L C 1.891 178.613 176.870 -0.246 0.000 1.071 300 L CA 1.459 56.021 54.840 -0.464 0.000 0.751 300 L CB -0.628 40.767 42.059 -1.106 0.000 0.889 300 L HN 0.208 nan 8.230 nan 0.000 0.432 301 Y N -0.123 120.076 120.300 -0.169 0.000 2.283 301 Y HA -0.323 4.139 4.550 -0.147 0.000 0.285 301 Y C 2.430 178.290 175.900 -0.066 0.000 1.176 301 Y CA 0.815 58.845 58.100 -0.116 0.000 1.229 301 Y CB -0.297 38.094 38.460 -0.115 0.000 0.975 301 Y HN 0.442 nan 8.280 nan 0.000 0.537 302 A N -0.664 122.219 122.820 0.105 0.000 2.115 302 A HA 0.048 4.283 4.320 -0.143 0.000 0.211 302 A C 2.041 179.652 177.584 0.044 0.000 1.169 302 A CA 0.112 52.192 52.037 0.071 0.000 0.787 302 A CB 0.046 19.087 19.000 0.069 0.000 0.858 302 A HN 0.206 nan 8.150 nan 0.000 0.474 303 R N 0.094 120.615 120.500 0.036 0.000 2.210 303 R HA 0.092 4.347 4.340 -0.143 0.000 0.203 303 R C 1.861 178.156 176.300 -0.008 0.000 1.010 303 R CA 1.233 57.348 56.100 0.025 0.000 1.008 303 R CB -0.401 29.937 30.300 0.063 0.000 0.923 303 R HN 0.795 nan 8.270 nan 0.000 0.469 304 I N -1.208 119.343 120.570 -0.032 0.000 2.876 304 I HA -0.023 4.062 4.170 -0.143 0.000 0.264 304 I C 1.207 177.309 176.117 -0.025 0.000 1.204 304 I CA 0.719 61.990 61.300 -0.049 0.000 1.485 304 I CB -0.191 37.756 38.000 -0.089 0.000 1.103 304 I HN -0.197 nan 8.210 nan 0.000 0.446 305 K N 1.046 121.444 120.400 -0.003 0.000 2.520 305 K HA -0.166 4.068 4.320 -0.143 0.000 0.197 305 K C 1.815 178.410 176.600 -0.008 0.000 1.044 305 K CA 1.641 57.928 56.287 0.000 0.000 0.938 305 K CB -0.523 31.983 32.500 0.010 0.000 0.767 305 K HN 0.508 nan 8.250 nan 0.000 0.481 306 T N 0.030 114.576 114.554 -0.014 0.000 3.037 306 T HA 0.077 4.342 4.350 -0.143 0.000 0.251 306 T C 0.663 175.350 174.700 -0.022 0.000 1.079 306 T CA -0.247 61.843 62.100 -0.016 0.000 1.067 306 T CB 0.216 69.074 68.868 -0.017 0.000 0.948 306 T HN -0.116 nan 8.240 nan 0.000 0.496 307 L N 2.181 123.386 121.223 -0.029 0.000 2.453 307 L HA 0.423 4.678 4.340 -0.143 0.000 0.261 307 L C -2.036 174.815 176.870 -0.032 0.000 1.179 307 L CA -1.943 52.875 54.840 -0.037 0.000 0.813 307 L CB 0.206 42.231 42.059 -0.058 0.000 1.110 307 L HN 0.053 nan 8.230 nan 0.000 0.466 308 P HA -0.055 nan 4.420 nan 0.000 0.263 308 P C 0.605 177.889 177.300 -0.026 0.000 1.175 308 P CA 0.231 63.316 63.100 -0.025 0.000 0.761 308 P CB 0.540 32.225 31.700 -0.025 0.000 0.794 309 E N 3.900 124.088 120.200 -0.019 0.000 2.169 309 E HA -0.285 3.980 4.350 -0.143 0.000 0.202 309 E C 1.695 178.284 176.600 -0.018 0.000 1.016 309 E CA 2.408 58.798 56.400 -0.016 0.000 0.817 309 E CB -0.569 29.125 29.700 -0.011 0.000 0.736 309 E HN 0.497 nan 8.360 nan 0.000 0.462 310 A N -0.283 122.525 122.820 -0.020 0.000 2.030 310 A HA 0.019 4.254 4.320 -0.143 0.000 0.215 310 A C 2.046 179.609 177.584 -0.035 0.000 1.164 310 A CA 1.083 53.108 52.037 -0.021 0.000 0.697 310 A CB -0.275 18.715 19.000 -0.016 0.000 0.827 310 A HN 0.175 nan 8.150 nan 0.000 0.457 311 K N -0.101 120.271 120.400 -0.046 0.000 2.057 311 K HA -0.177 4.057 4.320 -0.143 0.000 0.207 311 K C 2.192 178.730 176.600 -0.103 0.000 1.049 311 K CA 1.588 57.828 56.287 -0.077 0.000 0.931 311 K CB -0.156 32.298 32.500 -0.077 0.000 0.714 311 K HN 0.630 nan 8.250 nan 0.000 0.440 312 Q N 0.600 120.356 119.800 -0.072 0.000 2.002 312 Q HA -0.222 4.033 4.340 -0.143 0.000 0.204 312 Q C 2.120 178.091 176.000 -0.049 0.000 0.988 312 Q CA 1.569 57.334 55.803 -0.064 0.000 0.843 312 Q CB -0.264 28.457 28.738 -0.028 0.000 0.908 312 Q HN 0.147 nan 8.270 nan 0.000 0.420 313 K N 1.505 121.889 120.400 -0.026 0.000 2.077 313 K HA -0.301 3.934 4.320 -0.143 0.000 0.213 313 K C 1.757 178.349 176.600 -0.014 0.000 1.051 313 K CA 2.068 58.350 56.287 -0.009 0.000 0.929 313 K CB -0.232 32.265 32.500 -0.005 0.000 0.715 313 K HN 0.302 nan 8.250 nan 0.000 0.451 314 E N 0.257 120.434 120.200 -0.038 0.000 2.038 314 E HA -0.188 4.076 4.350 -0.143 0.000 0.195 314 E C 2.295 178.874 176.600 -0.036 0.000 1.000 314 E CA 1.797 58.179 56.400 -0.031 0.000 0.803 314 E CB -0.148 29.519 29.700 -0.054 0.000 0.750 314 E HN 0.417 nan 8.360 nan 0.000 0.448 315 I N 0.655 121.128 120.570 -0.162 0.000 2.076 315 I HA -0.289 3.795 4.170 -0.143 0.000 0.237 315 I C 2.706 178.805 176.117 -0.029 0.000 1.059 315 I CA 1.616 62.810 61.300 -0.176 0.000 1.317 315 I CB -0.551 37.267 38.000 -0.303 0.000 1.037 315 I HN 0.201 nan 8.210 nan 0.000 0.398 316 E N 1.670 121.868 120.200 -0.002 0.000 2.070 316 E HA -0.266 3.999 4.350 -0.143 0.000 0.197 316 E C 2.035 178.676 176.600 0.068 0.000 1.004 316 E CA 2.106 58.561 56.400 0.091 0.000 0.805 316 E CB -0.336 29.447 29.700 0.138 0.000 0.744 316 E HN 0.435 nan 8.360 nan 0.000 0.451 317 A N 0.464 123.311 122.820 0.045 0.000 1.978 317 A HA -0.204 4.030 4.320 -0.143 0.000 0.220 317 A C 2.001 179.606 177.584 0.035 0.000 1.170 317 A CA 1.904 53.966 52.037 0.041 0.000 0.636 317 A CB -0.571 18.448 19.000 0.031 0.000 0.810 317 A HN 0.333 nan 8.150 nan 0.000 0.448 318 D N -0.397 120.030 120.400 0.045 0.000 2.213 318 D HA -0.034 4.521 4.640 -0.143 0.000 0.205 318 D C 1.901 178.196 176.300 -0.008 0.000 0.961 318 D CA 0.563 54.587 54.000 0.039 0.000 0.853 318 D CB -0.064 40.806 40.800 0.117 0.000 0.967 318 D HN 0.306 nan 8.370 nan 0.000 0.496 319 I N 1.554 122.112 120.570 -0.021 0.000 2.226 319 I HA -0.225 3.860 4.170 -0.143 0.000 0.245 319 I C 2.358 178.328 176.117 -0.246 0.000 1.100 319 I CA 1.102 62.334 61.300 -0.113 0.000 1.374 319 I CB -0.946 36.999 38.000 -0.092 0.000 1.057 319 I HN 0.057 nan 8.210 nan 0.000 0.413 320 Q N 0.630 120.376 119.800 -0.091 0.000 2.135 320 Q HA -0.130 4.124 4.340 -0.143 0.000 0.204 320 Q C 2.384 178.387 176.000 0.006 0.000 0.981 320 Q CA 1.739 57.541 55.803 -0.001 0.000 0.856 320 Q CB -0.532 28.254 28.738 0.081 0.000 0.902 320 Q HN 0.555 nan 8.270 nan 0.000 0.425 321 A N 0.337 123.145 122.820 -0.021 0.000 2.024 321 A HA -0.110 4.125 4.320 -0.143 0.000 0.220 321 A C 2.355 179.911 177.584 -0.047 0.000 1.164 321 A CA 1.410 53.435 52.037 -0.020 0.000 0.643 321 A CB -0.358 18.628 19.000 -0.024 0.000 0.806 321 A HN 0.219 nan 8.150 nan 0.000 0.451 322 V N -1.915 117.940 119.914 -0.099 0.000 2.446 322 V HA -0.197 3.837 4.120 -0.143 0.000 0.244 322 V C 2.090 178.162 176.094 -0.036 0.000 1.039 322 V CA 1.195 63.404 62.300 -0.151 0.000 1.045 322 V CB -1.169 30.513 31.823 -0.234 0.000 0.681 322 V HN 0.705 nan 8.190 nan 0.000 0.459 323 Y N 0.152 120.461 120.300 0.014 0.000 2.651 323 Y HA -0.077 4.385 4.550 -0.146 0.000 0.296 323 Y C 2.292 178.198 175.900 0.011 0.000 1.150 323 Y CA 0.227 58.363 58.100 0.061 0.000 1.348 323 Y CB -0.071 38.466 38.460 0.129 0.000 0.983 323 Y HN 0.314 nan 8.280 nan 0.000 0.555 324 A N -0.693 122.199 122.820 0.121 0.000 2.085 324 A HA -0.052 4.182 4.320 -0.143 0.000 0.208 324 A C 1.884 179.466 177.584 -0.003 0.000 1.191 324 A CA 0.140 52.209 52.037 0.054 0.000 0.799 324 A CB -0.048 18.976 19.000 0.040 0.000 0.877 324 A HN 0.358 nan 8.150 nan 0.000 0.473 325 Q N -0.499 119.275 119.800 -0.044 0.000 2.424 325 Q HA 0.120 4.375 4.340 -0.143 0.000 0.204 325 Q C 0.044 175.964 176.000 -0.134 0.000 0.933 325 Q CA 0.222 55.971 55.803 -0.090 0.000 0.929 325 Q CB 0.221 28.887 28.738 -0.120 0.000 1.037 325 Q HN 0.518 nan 8.270 nan 0.000 0.511 326 R N 0.256 120.671 120.500 -0.142 0.000 2.807 326 R HA 0.435 4.689 4.340 -0.143 0.000 0.276 326 R C -2.640 173.637 176.300 -0.039 0.000 0.979 326 R CA -2.157 53.831 56.100 -0.187 0.000 0.928 326 R CB 1.575 31.544 30.300 -0.552 0.000 1.191 326 R HN -0.013 nan 8.270 nan 0.000 0.471 327 P HA -0.105 nan 4.420 nan 0.000 0.269 327 P C -0.940 176.399 177.300 0.065 0.000 1.205 327 P CA 0.196 63.310 63.100 0.024 0.000 0.780 327 P CB 0.489 32.208 31.700 0.032 0.000 0.858 328 Q N 0.853 120.656 119.800 0.004 0.000 2.314 328 Q HA 0.269 4.524 4.340 -0.143 0.000 0.258 328 Q C -0.302 175.678 176.000 -0.033 0.000 0.954 328 Q CA -0.326 55.458 55.803 -0.032 0.000 0.890 328 Q CB 0.325 29.013 28.738 -0.083 0.000 1.210 328 Q HN 0.359 nan 8.270 nan 0.000 0.410 329 L N 1.801 122.976 121.223 -0.079 0.000 2.395 329 L HA 0.403 4.658 4.340 -0.143 0.000 0.269 329 L C 0.417 177.244 176.870 -0.072 0.000 1.133 329 L CA -0.709 54.074 54.840 -0.096 0.000 0.812 329 L CB 0.741 42.684 42.059 -0.193 0.000 1.125 329 L HN 0.677 nan 8.230 nan 0.000 0.452 330 A N 4.467 127.262 122.820 -0.040 0.000 2.466 330 A HA 0.419 4.653 4.320 -0.143 0.000 0.238 330 A C -0.062 177.520 177.584 -0.003 0.000 1.074 330 A CA 0.041 52.082 52.037 0.007 0.000 0.774 330 A CB 0.208 19.216 19.000 0.014 0.000 1.015 330 A HN 0.616 nan 8.150 nan 0.000 0.498 331 M N 2.199 121.831 119.600 0.054 0.000 2.456 331 M HA 0.232 4.626 4.480 -0.143 0.000 0.324 331 M C 0.833 177.165 176.300 0.052 0.000 1.124 331 M CA -0.463 54.845 55.300 0.013 0.000 0.959 331 M CB 1.355 33.956 32.600 0.002 0.000 1.692 331 M HN 0.406 nan 8.290 nan 0.000 0.444 332 V N 1.470 121.381 119.914 -0.005 0.000 2.488 332 V HA -0.044 3.990 4.120 -0.143 0.000 0.246 332 V C 0.827 176.909 176.094 -0.020 0.000 1.046 332 V CA 1.294 63.601 62.300 0.013 0.000 1.053 332 V CB -0.396 31.430 31.823 0.004 0.000 0.679 332 V HN 0.889 nan 8.190 nan 0.000 0.458 333 N N -0.530 118.134 118.700 -0.059 0.000 2.629 333 N HA 0.063 4.718 4.740 -0.143 0.000 0.277 333 N C 0.917 176.370 175.510 -0.095 0.000 1.188 333 N CA 0.703 53.696 53.050 -0.094 0.000 0.835 333 N CB 1.937 40.377 38.487 -0.079 0.000 1.420 333 N HN 0.185 nan 8.380 nan 0.000 0.542 334 S N 2.073 117.714 115.700 -0.099 0.000 2.374 334 S HA -0.162 4.222 4.470 -0.143 0.000 0.227 334 S C 0.985 175.547 174.600 -0.064 0.000 1.037 334 S CA 1.229 59.393 58.200 -0.060 0.000 1.024 334 S CB -0.026 63.157 63.200 -0.030 0.000 0.861 334 S HN 0.500 nan 8.310 nan 0.000 0.456 335 D N 1.824 122.174 120.400 -0.083 0.000 2.178 335 D HA 0.001 4.556 4.640 -0.143 0.000 0.202 335 D C 1.630 177.897 176.300 -0.054 0.000 0.974 335 D CA 0.994 54.956 54.000 -0.064 0.000 0.841 335 D CB -0.167 40.590 40.800 -0.073 0.000 0.953 335 D HN 0.561 nan 8.370 nan 0.000 0.478 336 K N -0.198 120.165 120.400 -0.061 0.000 2.404 336 K HA 0.208 4.442 4.320 -0.143 0.000 0.194 336 K C 1.211 177.780 176.600 -0.051 0.000 1.023 336 K CA 0.449 56.706 56.287 -0.050 0.000 1.094 336 K CB 1.149 33.622 32.500 -0.045 0.000 0.841 336 K HN 0.111 nan 8.250 nan 0.000 0.523 337 G N 1.981 110.741 108.800 -0.067 0.000 2.245 337 G HA2 -0.245 3.630 3.960 -0.143 0.000 0.264 337 G HA3 -0.245 3.630 3.960 -0.143 0.000 0.264 337 G C 0.325 175.099 174.900 -0.210 0.000 0.985 337 G CA -0.156 44.895 45.100 -0.083 0.000 0.625 337 G HN 0.229 nan 8.290 nan 0.000 0.536 338 I N 3.240 123.687 120.570 -0.205 0.000 2.872 338 I HA 0.125 4.210 4.170 -0.143 0.000 0.287 338 I C 1.631 177.453 176.117 -0.491 0.000 1.197 338 I CA 1.339 62.409 61.300 -0.383 0.000 1.390 338 I CB -1.139 36.814 38.000 -0.078 0.000 1.400 338 I HN 0.461 nan 8.210 nan 0.000 0.544 339 T N 2.515 116.515 114.554 -0.922 0.000 2.849 339 T HA 0.144 4.408 4.350 -0.143 0.000 0.276 339 T C 1.217 175.855 174.700 -0.104 0.000 0.971 339 T CA -0.624 61.249 62.100 -0.378 0.000 0.949 339 T CB 1.457 70.159 68.868 -0.276 0.000 1.093 339 T HN 0.584 nan 8.240 nan 0.000 0.545 340 N N -0.331 118.344 118.700 -0.041 0.000 2.381 340 N HA -0.028 4.626 4.740 -0.143 0.000 0.182 340 N C 0.992 176.596 175.510 0.156 0.000 1.025 340 N CA 0.737 53.807 53.050 0.033 0.000 0.888 340 N CB -0.323 38.145 38.487 -0.032 0.000 0.965 340 N HN 0.654 nan 8.380 nan 0.000 0.438 341 L N 0.143 121.453 121.223 0.144 0.000 2.984 341 L HA 0.189 4.443 4.340 -0.143 0.000 0.246 341 L C 0.807 177.917 176.870 0.401 0.000 1.268 341 L CA -0.283 54.672 54.840 0.192 0.000 1.054 341 L CB 0.083 42.129 42.059 -0.022 0.000 1.393 341 L HN 0.020 nan 8.230 nan 0.000 0.532 342 H N -0.551 118.663 119.070 0.239 0.000 2.406 342 H HA 0.264 4.735 4.556 -0.141 0.000 0.304 342 H C 0.158 175.618 175.328 0.219 0.000 1.042 342 H CA 0.526 56.703 56.048 0.215 0.000 1.360 342 H CB 0.753 30.615 29.762 0.166 0.000 1.448 342 H HN -0.049 nan 8.280 nan 0.000 0.553 343 V N 1.478 121.577 119.914 0.307 0.000 2.638 343 V HA 0.172 4.206 4.120 -0.143 0.000 0.306 343 V C -1.644 174.384 176.094 -0.111 0.000 1.052 343 V CA -1.443 60.926 62.300 0.114 0.000 0.885 343 V CB 2.468 34.336 31.823 0.074 0.000 0.999 343 V HN 0.087 nan 8.190 nan 0.000 0.424 344 P HA -0.150 nan 4.420 nan 0.000 0.217 344 P C 1.103 178.075 177.300 -0.547 0.000 1.158 344 P CA 1.509 64.039 63.100 -0.950 0.000 0.887 344 P CB 0.237 31.599 31.700 -0.562 0.000 0.792 345 S N -1.320 114.225 115.700 -0.258 0.000 2.614 345 S HA 0.047 4.431 4.470 -0.143 0.000 0.230 345 S C 1.044 175.610 174.600 -0.056 0.000 0.952 345 S CA -0.012 58.105 58.200 -0.137 0.000 0.949 345 S CB -0.551 62.594 63.200 -0.091 0.000 0.786 345 S HN 0.160 nan 8.310 nan 0.000 0.478 346 D N 1.431 121.811 120.400 -0.034 0.000 2.103 346 D HA -0.006 4.548 4.640 -0.143 0.000 0.199 346 D C 0.450 176.762 176.300 0.020 0.000 0.978 346 D CA 1.024 55.032 54.000 0.014 0.000 0.829 346 D CB 0.228 41.054 40.800 0.044 0.000 0.981 346 D HN 0.157 nan 8.370 nan 0.000 0.464 347 V N 2.570 122.496 119.914 0.020 0.000 2.318 347 V HA 0.271 4.305 4.120 -0.143 0.000 0.271 347 V C 0.179 176.292 176.094 0.031 0.000 1.030 347 V CA -0.303 62.019 62.300 0.037 0.000 0.844 347 V CB 1.101 32.939 31.823 0.025 0.000 1.015 347 V HN -0.033 nan 8.190 nan 0.000 0.460 348 I N 4.695 125.287 120.570 0.037 0.000 2.355 348 I HA 0.248 4.333 4.170 -0.143 0.000 0.288 348 I C 1.236 177.370 176.117 0.028 0.000 0.999 348 I CA -0.321 60.995 61.300 0.027 0.000 1.163 348 I CB 1.832 39.838 38.000 0.010 0.000 1.316 348 I HN 0.402 nan 8.210 nan 0.000 0.454 349 V N 6.430 126.362 119.914 0.031 0.000 2.280 349 V HA -0.368 3.666 4.120 -0.143 0.000 0.258 349 V C 2.205 178.136 176.094 -0.272 0.000 1.081 349 V CA 2.982 65.227 62.300 -0.091 0.000 1.070 349 V CB -0.364 31.399 31.823 -0.101 0.000 0.666 349 V HN 1.053 nan 8.190 nan 0.000 0.450 350 D N -0.168 120.114 120.400 -0.197 0.000 2.182 350 D HA -0.119 4.435 4.640 -0.143 0.000 0.201 350 D C 1.819 178.069 176.300 -0.083 0.000 0.986 350 D CA 1.940 55.853 54.000 -0.145 0.000 0.847 350 D CB -0.200 40.641 40.800 0.068 0.000 0.942 350 D HN 0.621 nan 8.370 nan 0.000 0.467 351 A N 0.991 123.774 122.820 -0.062 0.000 1.944 351 A HA 0.052 4.286 4.320 -0.143 0.000 0.207 351 A C 2.355 179.903 177.584 -0.061 0.000 1.265 351 A CA 1.307 53.320 52.037 -0.041 0.000 0.712 351 A CB -0.470 18.525 19.000 -0.007 0.000 0.915 351 A HN 0.317 nan 8.150 nan 0.000 0.470 352 S N 0.431 116.108 115.700 -0.039 0.000 2.378 352 S HA -0.318 4.067 4.470 -0.143 0.000 0.229 352 S C 1.973 176.476 174.600 -0.162 0.000 1.052 352 S CA 2.184 60.384 58.200 0.001 0.000 1.084 352 S CB -0.666 62.658 63.200 0.206 0.000 0.950 352 S HN 0.330 nan 8.310 nan 0.000 0.440 353 M N 2.038 121.392 119.600 -0.409 0.000 2.064 353 M HA 0.088 4.483 4.480 -0.143 0.000 0.260 353 M C -0.390 175.761 176.300 -0.249 0.000 1.073 353 M CA 0.960 55.923 55.300 -0.562 0.000 1.124 353 M CB -2.850 29.082 32.600 -1.114 0.000 1.326 353 M HN 0.195 nan 8.290 nan 0.000 0.410 354 P HA -0.173 nan 4.420 nan 0.000 0.217 354 P C 1.354 178.658 177.300 0.007 0.000 1.158 354 P CA 2.479 65.559 63.100 -0.034 0.000 0.887 354 P CB -0.244 31.437 31.700 -0.032 0.000 0.792 355 A N -0.534 122.281 122.820 -0.008 0.000 1.865 355 A HA -0.236 3.998 4.320 -0.143 0.000 0.217 355 A C 2.209 179.807 177.584 0.023 0.000 1.191 355 A CA 2.209 54.263 52.037 0.027 0.000 0.623 355 A CB -1.687 17.334 19.000 0.035 0.000 0.826 355 A HN 0.125 nan 8.150 nan 0.000 0.444 356 M N -0.132 119.458 119.600 -0.015 0.000 2.202 356 M HA -0.117 4.277 4.480 -0.143 0.000 0.262 356 M C 1.818 178.142 176.300 0.039 0.000 1.063 356 M CA 1.678 56.961 55.300 -0.028 0.000 1.097 356 M CB -0.750 31.812 32.600 -0.063 0.000 1.382 356 M HN 0.485 nan 8.290 nan 0.000 0.413 357 I N -0.710 119.934 120.570 0.122 0.000 2.193 357 I HA -0.285 3.800 4.170 -0.143 0.000 0.240 357 I C 2.603 178.982 176.117 0.438 0.000 1.084 357 I CA 0.943 62.468 61.300 0.375 0.000 1.365 357 I CB -0.652 37.540 38.000 0.321 0.000 1.064 357 I HN 0.336 nan 8.210 nan 0.000 0.410 358 R N 1.337 122.008 120.500 0.285 0.000 2.133 358 R HA -0.228 4.026 4.340 -0.143 0.000 0.245 358 R C 0.659 177.033 176.300 0.123 0.000 1.137 358 R CA 1.968 58.226 56.100 0.262 0.000 0.947 358 R CB -0.319 30.086 30.300 0.175 0.000 0.865 358 R HN 0.301 nan 8.270 nan 0.000 0.437 359 D N 1.169 121.564 120.400 -0.008 0.000 2.941 359 D HA 0.010 4.565 4.640 -0.143 0.000 0.236 359 D C -0.293 175.796 176.300 -0.352 0.000 1.147 359 D CA 0.545 54.446 54.000 -0.165 0.000 0.975 359 D CB 0.050 40.720 40.800 -0.217 0.000 1.162 359 D HN 0.255 nan 8.370 nan 0.000 0.444 360 S N -0.438 114.946 115.700 -0.526 0.000 3.473 360 S HA -0.210 4.175 4.470 -0.143 0.000 0.339 360 S C 1.277 175.146 174.600 -1.219 0.000 1.148 360 S CA 0.531 58.072 58.200 -1.098 0.000 0.969 360 S CB -1.579 61.222 63.200 -0.665 0.000 0.936 360 S HN 0.787 nan 8.310 nan 0.000 0.530 361 G N 0.176 108.495 108.800 -0.802 0.000 2.295 361 G HA2 -0.307 3.567 3.960 -0.143 0.000 0.287 361 G HA3 -0.307 3.567 3.960 -0.143 0.000 0.287 361 G C -0.245 174.497 174.900 -0.262 0.000 1.055 361 G CA 0.893 45.771 45.100 -0.369 0.000 0.922 361 G HN 0.737 nan 8.290 nan 0.000 0.503 362 K N -1.190 119.042 120.400 -0.280 0.000 2.444 362 K HA 0.834 5.068 4.320 -0.143 0.000 0.252 362 K C -0.122 176.318 176.600 -0.267 0.000 0.993 362 K CA -0.985 55.148 56.287 -0.257 0.000 0.847 362 K CB 1.747 34.034 32.500 -0.354 0.000 1.340 362 K HN 0.187 nan 8.250 nan 0.000 0.446 363 M N 0.921 120.380 119.600 -0.234 0.000 2.433 363 M HA 0.312 4.706 4.480 -0.143 0.000 0.290 363 M C -1.530 174.659 176.300 -0.184 0.000 1.173 363 M CA -0.756 54.417 55.300 -0.212 0.000 0.905 363 M CB 1.833 34.422 32.600 -0.020 0.000 1.692 363 M HN 0.486 nan 8.290 nan 0.000 0.462 364 W N 1.449 122.755 121.300 0.011 0.000 2.314 364 W HA 0.348 4.921 4.660 -0.144 0.000 0.339 364 W C 0.917 177.481 176.519 0.076 0.000 1.293 364 W CA 0.364 57.724 57.345 0.025 0.000 1.288 364 W CB -0.143 29.317 29.460 -0.000 0.000 1.186 364 W HN 0.704 nan 8.180 nan 0.000 0.566 365 G N 2.370 111.403 108.800 0.389 0.000 2.642 365 G HA2 0.391 4.265 3.960 -0.143 0.000 0.291 365 G HA3 0.391 4.265 3.960 -0.143 0.000 0.291 365 G C -2.038 172.952 174.900 0.150 0.000 1.345 365 G CA -1.144 44.110 45.100 0.256 0.000 1.043 365 G HN 0.213 nan 8.290 nan 0.000 0.528 366 P HA -0.075 nan 4.420 nan 0.000 0.215 366 P C 1.346 178.671 177.300 0.042 0.000 1.153 366 P CA 1.589 64.690 63.100 0.002 0.000 0.853 366 P CB 0.095 31.769 31.700 -0.043 0.000 0.788 367 D N -0.890 119.558 120.400 0.080 0.000 2.119 367 D HA -0.105 4.449 4.640 -0.143 0.000 0.199 367 D C 1.505 177.869 176.300 0.107 0.000 0.987 367 D CA 2.087 56.145 54.000 0.097 0.000 0.858 367 D CB -0.974 39.912 40.800 0.144 0.000 1.008 367 D HN 0.288 nan 8.370 nan 0.000 0.450 368 G N -0.279 108.629 108.800 0.180 0.000 4.541 368 G HA2 0.028 3.902 3.960 -0.143 0.000 0.221 368 G HA3 0.028 3.902 3.960 -0.143 0.000 0.221 368 G C -0.123 174.968 174.900 0.319 0.000 0.774 368 G CA -0.444 44.759 45.100 0.172 0.000 1.044 368 G HN 0.340 nan 8.290 nan 0.000 0.768 369 K N 0.157 120.742 120.400 0.308 0.000 2.350 369 K HA 0.745 4.980 4.320 -0.143 0.000 0.241 369 K C -0.187 176.297 176.600 -0.195 0.000 0.994 369 K CA -0.981 55.398 56.287 0.153 0.000 0.839 369 K CB 2.140 34.611 32.500 -0.048 0.000 1.244 369 K HN 0.018 nan 8.250 nan 0.000 0.443 370 L N 2.144 123.038 121.223 -0.548 0.000 2.452 370 L HA 0.247 4.502 4.340 -0.143 0.000 0.267 370 L C 0.153 176.520 176.870 -0.838 0.000 1.188 370 L CA 0.027 54.428 54.840 -0.731 0.000 0.821 370 L CB 0.140 41.720 42.059 -0.798 0.000 1.102 370 L HN 0.464 nan 8.230 nan 0.000 0.470 371 H N 0.073 119.017 119.070 -0.211 0.000 3.037 371 H HA 0.245 4.715 4.556 -0.143 0.000 0.355 371 H C -1.284 173.968 175.328 -0.128 0.000 1.263 371 H CA -0.897 55.072 56.048 -0.132 0.000 1.129 371 H CB 1.652 31.370 29.762 -0.072 0.000 1.861 371 H HN 0.548 nan 8.280 nan 0.000 0.546 372 D N 1.002 121.425 120.400 0.039 0.000 2.400 372 D HA 0.118 4.672 4.640 -0.143 0.000 0.238 372 D C 0.382 176.709 176.300 0.045 0.000 1.157 372 D CA 0.813 54.819 54.000 0.011 0.000 0.889 372 D CB 1.472 42.293 40.800 0.036 0.000 1.199 372 D HN 0.299 nan 8.370 nan 0.000 0.436 373 T N -0.006 114.575 114.554 0.045 0.000 2.896 373 T HA 0.307 4.571 4.350 -0.143 0.000 0.297 373 T C -1.047 173.659 174.700 0.010 0.000 1.108 373 T CA -0.849 61.274 62.100 0.039 0.000 1.004 373 T CB 1.493 70.381 68.868 0.033 0.000 1.159 373 T HN 0.247 nan 8.240 nan 0.000 0.499 374 K N 2.455 122.825 120.400 -0.050 0.000 2.419 374 K HA 0.652 4.887 4.320 -0.143 0.000 0.244 374 K C -0.418 176.112 176.600 -0.117 0.000 1.045 374 K CA -0.638 55.490 56.287 -0.264 0.000 1.004 374 K CB 0.379 32.793 32.500 -0.144 0.000 1.376 374 K HN 0.684 nan 8.250 nan 0.000 0.460 375 A N 3.563 126.344 122.820 -0.064 0.000 2.444 375 A HA 0.221 4.456 4.320 -0.143 0.000 0.273 375 A C -0.143 177.532 177.584 0.151 0.000 1.136 375 A CA -0.400 51.732 52.037 0.159 0.000 0.799 375 A CB 0.264 19.336 19.000 0.120 0.000 1.081 375 A HN 0.453 nan 8.150 nan 0.000 0.509 376 V N 5.253 125.274 119.914 0.177 0.000 2.368 376 V HA 0.216 4.250 4.120 -0.143 0.000 0.266 376 V C 0.176 176.425 176.094 0.258 0.000 1.045 376 V CA 0.178 62.615 62.300 0.228 0.000 0.899 376 V CB 0.414 32.369 31.823 0.220 0.000 1.006 376 V HN 0.726 nan 8.190 nan 0.000 0.470 377 I N 7.687 128.415 120.570 0.264 0.000 2.557 377 I HA 0.244 4.329 4.170 -0.143 0.000 0.277 377 I C -1.478 174.755 176.117 0.194 0.000 1.106 377 I CA -1.801 59.636 61.300 0.228 0.000 1.180 377 I CB 1.817 39.942 38.000 0.208 0.000 1.392 377 I HN 0.429 nan 8.210 nan 0.000 0.506 378 P HA -0.222 nan 4.420 nan 0.000 0.219 378 P C 0.477 177.705 177.300 -0.120 0.000 1.158 378 P CA 1.512 64.538 63.100 -0.123 0.000 0.895 378 P CB 0.206 31.904 31.700 -0.004 0.000 0.792 379 D N -2.743 117.696 120.400 0.066 0.000 2.398 379 D HA 0.149 4.703 4.640 -0.143 0.000 0.264 379 D C 1.305 177.648 176.300 0.070 0.000 1.263 379 D CA -0.079 53.981 54.000 0.100 0.000 1.037 379 D CB 0.462 41.382 40.800 0.200 0.000 1.101 379 D HN -0.228 nan 8.370 nan 0.000 0.551 380 R N -0.981 119.527 120.500 0.013 0.000 2.517 380 R HA 0.195 4.449 4.340 -0.143 0.000 0.265 380 R C 1.974 178.095 176.300 -0.298 0.000 0.921 380 R CA -0.131 55.877 56.100 -0.153 0.000 1.054 380 R CB -0.013 30.021 30.300 -0.444 0.000 1.340 380 R HN 0.439 nan 8.270 nan 0.000 0.551 381 C N 0.103 119.263 119.300 -0.234 0.000 2.398 381 C HA -0.140 4.235 4.460 -0.143 0.000 0.276 381 C C 1.430 175.983 174.990 -0.728 0.000 1.222 381 C CA 0.968 59.669 59.018 -0.528 0.000 1.746 381 C CB -0.623 26.502 27.740 -1.025 0.000 2.039 381 C HN 0.500 nan 8.230 nan 0.000 0.470 382 Y N -0.945 119.447 120.300 0.153 0.000 2.675 382 Y HA 0.477 4.940 4.550 -0.144 0.000 0.248 382 Y C 1.867 177.868 175.900 0.168 0.000 1.161 382 Y CA 0.332 58.532 58.100 0.168 0.000 1.203 382 Y CB -0.601 38.009 38.460 0.251 0.000 1.262 382 Y HN 0.104 nan 8.280 nan 0.000 0.544 383 A N 0.910 123.818 122.820 0.146 0.000 1.873 383 A HA -0.006 4.229 4.320 -0.143 0.000 0.215 383 A C 2.440 180.022 177.584 -0.003 0.000 1.186 383 A CA 1.781 53.871 52.037 0.088 0.000 0.616 383 A CB -1.220 17.717 19.000 -0.106 0.000 0.823 383 A HN 0.512 nan 8.150 nan 0.000 0.442 384 G N 0.038 108.789 108.800 -0.081 0.000 2.631 384 G HA2 -0.283 3.591 3.960 -0.143 0.000 0.219 384 G HA3 -0.283 3.591 3.960 -0.143 0.000 0.219 384 G C 1.532 176.445 174.900 0.022 0.000 1.214 384 G CA 1.742 46.809 45.100 -0.055 0.000 0.785 384 G HN 0.390 nan 8.290 nan 0.000 0.596 385 V N -0.206 119.740 119.914 0.054 0.000 2.363 385 V HA -0.319 3.716 4.120 -0.143 0.000 0.254 385 V C 2.430 178.504 176.094 -0.033 0.000 1.074 385 V CA 2.223 64.545 62.300 0.036 0.000 1.069 385 V CB -0.715 31.157 31.823 0.080 0.000 0.659 385 V HN 0.565 nan 8.190 nan 0.000 0.455 386 Y N -0.930 119.418 120.300 0.080 0.000 2.337 386 Y HA -0.171 4.293 4.550 -0.143 0.000 0.293 386 Y C 2.677 178.585 175.900 0.014 0.000 1.123 386 Y CA 1.199 59.311 58.100 0.021 0.000 1.201 386 Y CB -0.074 38.374 38.460 -0.021 0.000 1.011 386 Y HN 0.219 nan 8.280 nan 0.000 0.545 387 Q N 0.387 120.276 119.800 0.148 0.000 2.046 387 Q HA -0.135 4.120 4.340 -0.143 0.000 0.200 387 Q C 2.189 178.235 176.000 0.077 0.000 0.975 387 Q CA 1.780 57.640 55.803 0.094 0.000 0.836 387 Q CB -0.597 28.164 28.738 0.037 0.000 0.896 387 Q HN 0.297 nan 8.270 nan 0.000 0.428 388 V N -0.578 119.375 119.914 0.065 0.000 2.233 388 V HA -0.275 3.759 4.120 -0.143 0.000 0.247 388 V C 2.262 178.389 176.094 0.055 0.000 1.050 388 V CA 1.832 64.164 62.300 0.054 0.000 1.010 388 V CB -0.688 31.166 31.823 0.051 0.000 0.637 388 V HN 0.271 nan 8.190 nan 0.000 0.444 389 V N -0.376 119.589 119.914 0.084 0.000 2.392 389 V HA -0.275 3.759 4.120 -0.143 0.000 0.249 389 V C 2.121 178.206 176.094 -0.015 0.000 1.059 389 V CA 2.151 64.507 62.300 0.094 0.000 1.051 389 V CB -0.477 31.426 31.823 0.134 0.000 0.658 389 V HN 0.457 nan 8.190 nan 0.000 0.455 390 I N -0.584 119.994 120.570 0.014 0.000 2.286 390 I HA -0.117 3.967 4.170 -0.143 0.000 0.245 390 I C 2.366 178.415 176.117 -0.113 0.000 1.104 390 I CA 1.092 62.366 61.300 -0.043 0.000 1.397 390 I CB -0.286 37.780 38.000 0.110 0.000 1.072 390 I HN 0.279 nan 8.210 nan 0.000 0.417 391 E N 0.352 120.534 120.200 -0.030 0.000 2.511 391 E HA -0.167 4.098 4.350 -0.143 0.000 0.196 391 E C 1.354 177.914 176.600 -0.067 0.000 1.066 391 E CA 0.504 56.890 56.400 -0.023 0.000 0.871 391 E CB -0.153 29.561 29.700 0.023 0.000 0.863 391 E HN 0.519 nan 8.360 nan 0.000 0.520 392 D N -0.522 119.806 120.400 -0.120 0.000 2.259 392 D HA -0.067 4.488 4.640 -0.143 0.000 0.216 392 D C 1.726 177.862 176.300 -0.272 0.000 0.961 392 D CA 0.314 54.248 54.000 -0.111 0.000 0.878 392 D CB 0.190 40.944 40.800 -0.077 0.000 1.009 392 D HN 0.106 nan 8.370 nan 0.000 0.490 393 C N 1.769 120.722 119.300 -0.579 0.000 2.436 393 C HA -0.112 4.262 4.460 -0.143 0.000 0.277 393 C C 2.462 177.149 174.990 -0.505 0.000 1.241 393 C CA 1.410 59.857 59.018 -0.952 0.000 1.721 393 C CB -0.746 25.644 27.740 -2.250 0.000 2.043 393 C HN 0.484 nan 8.230 nan 0.000 0.472 394 K N 0.837 121.059 120.400 -0.298 0.000 2.574 394 K HA -0.137 4.098 4.320 -0.143 0.000 0.193 394 K C 1.545 178.124 176.600 -0.036 0.000 1.035 394 K CA 1.165 57.480 56.287 0.046 0.000 0.982 394 K CB -0.240 32.356 32.500 0.161 0.000 0.795 394 K HN 0.638 nan 8.250 nan 0.000 0.491 395 Q N -0.322 119.406 119.800 -0.120 0.000 2.149 395 Q HA 0.064 4.319 4.340 -0.143 0.000 0.221 395 Q C 0.104 175.879 176.000 -0.376 0.000 0.807 395 Q CA -0.186 55.503 55.803 -0.191 0.000 1.000 395 Q CB 0.710 29.357 28.738 -0.152 0.000 1.157 395 Q HN 0.448 nan 8.270 nan 0.000 0.487 396 H N -1.774 117.210 119.070 -0.142 0.000 3.780 396 H HA 0.204 4.675 4.556 -0.143 0.000 0.266 396 H C 0.232 175.459 175.328 -0.169 0.000 1.144 396 H CA 0.728 56.688 56.048 -0.145 0.000 1.176 396 H CB 1.394 31.054 29.762 -0.170 0.000 1.690 396 H HN 0.312 nan 8.280 nan 0.000 0.835 397 G N 1.454 110.201 108.800 -0.090 0.000 2.787 397 G HA2 -0.024 3.851 3.960 -0.143 0.000 0.685 397 G HA3 -0.024 3.851 3.960 -0.143 0.000 0.685 397 G C 0.074 174.821 174.900 -0.254 0.000 1.437 397 G CA -0.223 44.834 45.100 -0.072 0.000 0.872 397 G HN 0.529 nan 8.290 nan 0.000 0.566 398 A N 0.617 123.387 122.820 -0.083 0.000 2.561 398 A HA 0.547 4.781 4.320 -0.143 0.000 0.234 398 A C 0.605 178.112 177.584 -0.129 0.000 1.055 398 A CA 0.628 52.609 52.037 -0.093 0.000 0.756 398 A CB -0.195 18.973 19.000 0.280 0.000 0.986 398 A HN 1.507 nan 8.150 nan 0.000 0.505 399 F N 0.577 120.549 119.950 0.037 0.000 2.496 399 F HA 0.243 4.685 4.527 -0.143 0.000 0.344 399 F C 0.891 176.710 175.800 0.032 0.000 1.155 399 F CA -0.420 57.599 58.000 0.033 0.000 1.302 399 F CB 0.342 39.377 39.000 0.058 0.000 1.159 399 F HN 0.492 nan 8.300 nan 0.000 0.595 400 D N 2.802 123.317 120.400 0.192 0.000 2.412 400 D HA 0.253 4.807 4.640 -0.143 0.000 0.224 400 D C -1.811 174.530 176.300 0.069 0.000 1.093 400 D CA -2.253 51.801 54.000 0.090 0.000 0.850 400 D CB 1.523 42.350 40.800 0.044 0.000 1.046 400 D HN 0.126 nan 8.370 nan 0.000 0.507 401 P HA -0.169 nan 4.420 nan 0.000 0.218 401 P C 1.269 178.579 177.300 0.018 0.000 1.146 401 P CA 1.467 64.578 63.100 0.017 0.000 0.820 401 P CB 0.207 31.798 31.700 -0.181 0.000 0.778 402 T N -5.679 108.870 114.554 -0.009 0.000 3.043 402 T HA -0.024 4.240 4.350 -0.143 0.000 0.263 402 T C 1.448 176.149 174.700 0.001 0.000 1.094 402 T CA 1.677 63.769 62.100 -0.013 0.000 1.127 402 T CB -0.940 67.910 68.868 -0.031 0.000 0.905 402 T HN 0.200 nan 8.240 nan 0.000 0.490 403 T N -0.439 114.125 114.554 0.015 0.000 3.010 403 T HA 0.374 4.639 4.350 -0.143 0.000 0.252 403 T C 0.983 175.695 174.700 0.020 0.000 0.963 403 T CA -0.228 61.880 62.100 0.013 0.000 0.952 403 T CB -0.427 68.447 68.868 0.010 0.000 1.182 403 T HN 0.575 nan 8.240 nan 0.000 0.495 404 M N 1.848 121.475 119.600 0.045 0.000 2.243 404 M HA 0.503 4.897 4.480 -0.143 0.000 0.309 404 M C 0.954 177.255 176.300 0.002 0.000 1.050 404 M CA 0.152 55.478 55.300 0.044 0.000 1.139 404 M CB -0.068 32.591 32.600 0.097 0.000 1.457 404 M HN 0.158 nan 8.290 nan 0.000 0.440 405 G N 1.184 109.965 108.800 -0.033 0.000 2.582 405 G HA2 0.563 4.437 3.960 -0.143 0.000 0.232 405 G HA3 0.563 4.437 3.960 -0.143 0.000 0.232 405 G C -1.084 173.767 174.900 -0.083 0.000 1.458 405 G CA -0.860 44.204 45.100 -0.061 0.000 1.062 405 G HN 0.785 nan 8.290 nan 0.000 0.566 406 S N -1.956 113.677 115.700 -0.111 0.000 2.549 406 S HA 0.527 4.911 4.470 -0.143 0.000 0.280 406 S C -1.000 173.485 174.600 -0.191 0.000 1.109 406 S CA -0.405 57.720 58.200 -0.126 0.000 0.905 406 S CB 2.203 65.363 63.200 -0.067 0.000 1.081 406 S HN 0.455 nan 8.310 nan 0.000 0.477 407 V N 3.765 123.534 119.914 -0.243 0.000 2.327 407 V HA 0.329 4.364 4.120 -0.143 0.000 0.272 407 V C -2.301 173.725 176.094 -0.113 0.000 1.019 407 V CA -1.531 60.611 62.300 -0.262 0.000 0.814 407 V CB 0.511 31.960 31.823 -0.623 0.000 1.040 407 V HN 0.587 nan 8.190 nan 0.000 0.440 408 P HA 0.187 nan 4.420 nan 0.000 0.306 408 P C -0.270 176.983 177.300 -0.079 0.000 1.301 408 P CA -0.308 62.754 63.100 -0.064 0.000 0.744 408 P CB 0.458 32.121 31.700 -0.061 0.000 1.400 409 N N -1.053 117.593 118.700 -0.091 0.000 2.976 409 N HA 0.080 4.735 4.740 -0.143 0.000 0.249 409 N C -2.078 173.366 175.510 -0.111 0.000 1.258 409 N CA -0.119 52.855 53.050 -0.127 0.000 0.864 409 N CB 0.842 39.242 38.487 -0.146 0.000 1.551 409 N HN -0.084 nan 8.380 nan 0.000 0.607 410 V N 2.690 122.534 119.914 -0.116 0.000 2.299 410 V HA 0.477 4.512 4.120 -0.143 0.000 0.255 410 V C 1.139 177.275 176.094 0.070 0.000 1.100 410 V CA -0.242 62.017 62.300 -0.067 0.000 0.938 410 V CB 0.456 32.189 31.823 -0.150 0.000 1.139 410 V HN 0.595 nan 8.190 nan 0.000 0.490 411 G N 3.848 112.668 108.800 0.034 0.000 2.389 411 G HA2 0.576 4.450 3.960 -0.143 0.000 0.317 411 G HA3 0.576 4.450 3.960 -0.143 0.000 0.317 411 G C -0.991 173.837 174.900 -0.121 0.000 1.137 411 G CA -0.659 44.443 45.100 0.003 0.000 0.870 411 G HN 0.544 nan 8.290 nan 0.000 0.496 412 L N 2.208 123.116 121.223 -0.525 0.000 2.305 412 L HA 0.633 4.888 4.340 -0.143 0.000 0.281 412 L C 1.007 177.567 176.870 -0.516 0.000 1.085 412 L CA -0.024 54.320 54.840 -0.828 0.000 0.813 412 L CB 1.072 42.159 42.059 -1.619 0.000 1.157 412 L HN 0.771 nan 8.230 nan 0.000 0.436 413 M N 3.419 122.792 119.600 -0.378 0.000 1.848 413 M HA 0.475 4.870 4.480 -0.143 0.000 0.328 413 M C 0.638 176.801 176.300 -0.228 0.000 0.897 413 M CA -0.016 55.080 55.300 -0.341 0.000 1.130 413 M CB 0.006 32.378 32.600 -0.381 0.000 2.171 413 M HN 0.459 nan 8.290 nan 0.000 0.762 414 A N 2.829 125.541 122.820 -0.180 0.000 2.622 414 A HA -0.009 4.226 4.320 -0.143 0.000 0.235 414 A C 0.537 178.064 177.584 -0.095 0.000 1.013 414 A CA 1.386 53.353 52.037 -0.117 0.000 0.765 414 A CB -0.422 18.525 19.000 -0.088 0.000 0.921 414 A HN 0.702 nan 8.150 nan 0.000 0.506 415 Q N 0.066 119.828 119.800 -0.064 0.000 2.460 415 Q HA -0.196 4.058 4.340 -0.143 0.000 0.311 415 Q C -0.095 175.882 176.000 -0.038 0.000 1.396 415 Q CA 0.860 56.638 55.803 -0.041 0.000 0.838 415 Q CB -1.511 27.207 28.738 -0.034 0.000 1.140 415 Q HN 0.902 nan 8.270 nan 0.000 0.415 416 K N -2.285 118.095 120.400 -0.032 0.000 3.311 416 K HA -0.206 4.029 4.320 -0.143 0.000 0.270 416 K C 0.069 176.649 176.600 -0.034 0.000 0.927 416 K CA 0.791 57.078 56.287 -0.001 0.000 0.706 416 K CB -1.428 31.085 32.500 0.021 0.000 1.418 416 K HN 0.629 nan 8.250 nan 0.000 0.459 417 A N 1.767 124.532 122.820 -0.093 0.000 2.546 417 A HA 0.226 4.460 4.320 -0.143 0.000 0.243 417 A C 0.774 178.289 177.584 -0.114 0.000 1.063 417 A CA 0.757 52.718 52.037 -0.125 0.000 0.757 417 A CB 0.010 18.883 19.000 -0.211 0.000 0.991 417 A HN 0.527 nan 8.150 nan 0.000 0.503 418 E N 0.887 121.029 120.200 -0.098 0.000 3.611 418 E HA -0.318 3.947 4.350 -0.143 0.000 0.238 418 E C 0.873 177.401 176.600 -0.120 0.000 1.468 418 E CA 1.184 57.506 56.400 -0.130 0.000 2.235 418 E CB -0.972 28.631 29.700 -0.163 0.000 2.090 418 E HN 0.832 nan 8.360 nan 0.000 0.483 419 E N -0.457 119.658 120.200 -0.142 0.000 2.200 419 E HA -0.274 3.991 4.350 -0.143 0.000 0.211 419 E C 1.722 178.223 176.600 -0.164 0.000 1.048 419 E CA 2.220 58.518 56.400 -0.169 0.000 0.851 419 E CB -0.346 29.278 29.700 -0.126 0.000 0.747 419 E HN 0.339 nan 8.360 nan 0.000 0.462 420 Y N -0.646 119.535 120.300 -0.200 0.000 2.617 420 Y HA -0.086 4.382 4.550 -0.136 0.000 0.284 420 Y C 1.609 177.437 175.900 -0.120 0.000 1.162 420 Y CA 1.263 59.295 58.100 -0.114 0.000 1.399 420 Y CB 0.022 38.426 38.460 -0.092 0.000 0.962 420 Y HN 0.044 nan 8.280 nan 0.000 0.576 421 G N -1.975 106.744 108.800 -0.135 0.000 4.917 421 G HA2 0.230 4.104 3.960 -0.143 0.000 0.244 421 G HA3 0.230 4.104 3.960 -0.143 0.000 0.244 421 G C 0.452 175.192 174.900 -0.266 0.000 1.072 421 G CA 0.274 45.283 45.100 -0.151 0.000 0.850 421 G HN 0.224 nan 8.290 nan 0.000 0.559 422 S N -1.193 114.181 115.700 -0.544 0.000 2.512 422 S HA 0.081 4.465 4.470 -0.143 0.000 0.216 422 S C 1.726 176.101 174.600 -0.376 0.000 1.006 422 S CA -0.081 57.879 58.200 -0.400 0.000 0.915 422 S CB -0.302 62.664 63.200 -0.388 0.000 0.824 422 S HN 0.366 nan 8.310 nan 0.000 0.497 423 H N 3.843 122.840 119.070 -0.123 0.000 2.289 423 H HA -0.128 4.349 4.556 -0.132 0.000 0.294 423 H C 1.496 176.722 175.328 -0.169 0.000 1.095 423 H CA 1.914 57.879 56.048 -0.138 0.000 1.256 423 H CB -0.933 28.761 29.762 -0.114 0.000 1.359 423 H HN 0.697 nan 8.280 nan 0.000 0.487 424 D N 0.969 121.364 120.400 -0.009 0.000 2.371 424 D HA -0.064 4.490 4.640 -0.143 0.000 0.234 424 D C 0.631 176.891 176.300 -0.068 0.000 1.049 424 D CA 0.484 54.462 54.000 -0.037 0.000 0.907 424 D CB -0.154 40.669 40.800 0.037 0.000 0.891 424 D HN 0.341 nan 8.370 nan 0.000 0.531 425 K N -0.437 119.882 120.400 -0.136 0.000 2.706 425 K HA 0.156 4.390 4.320 -0.143 0.000 0.203 425 K C -0.679 175.874 176.600 -0.079 0.000 1.102 425 K CA -0.164 56.161 56.287 0.062 0.000 1.058 425 K CB 1.484 34.102 32.500 0.197 0.000 0.779 425 K HN -0.100 nan 8.250 nan 0.000 0.483 426 T N 1.010 115.243 114.554 -0.536 0.000 2.791 426 T HA 0.513 4.778 4.350 -0.143 0.000 0.288 426 T C -0.900 173.437 174.700 -0.606 0.000 0.999 426 T CA -0.394 61.535 62.100 -0.285 0.000 0.952 426 T CB 0.488 69.272 68.868 -0.140 0.000 0.938 426 T HN -0.075 nan 8.240 nan 0.000 0.444 427 F N 1.347 121.486 119.950 0.314 0.000 2.563 427 F HA 0.512 4.956 4.527 -0.137 0.000 0.316 427 F C 0.387 176.306 175.800 0.198 0.000 1.076 427 F CA -1.271 56.859 58.000 0.216 0.000 0.921 427 F CB 1.888 40.989 39.000 0.168 0.000 1.209 427 F HN 0.348 nan 8.300 nan 0.000 0.462 428 Q N 3.072 123.043 119.800 0.285 0.000 2.349 428 Q HA 0.351 4.605 4.340 -0.143 0.000 0.254 428 Q C -0.512 175.598 176.000 0.182 0.000 0.980 428 Q CA -0.738 55.186 55.803 0.201 0.000 0.924 428 Q CB 0.606 29.426 28.738 0.137 0.000 1.209 428 Q HN 0.473 nan 8.270 nan 0.000 0.445 429 I N 7.148 127.815 120.570 0.161 0.000 2.906 429 I HA -0.092 3.992 4.170 -0.143 0.000 0.301 429 I C -1.647 174.507 176.117 0.062 0.000 1.221 429 I CA -1.155 60.202 61.300 0.094 0.000 1.435 429 I CB 0.377 38.423 38.000 0.076 0.000 1.345 429 I HN 0.688 nan 8.210 nan 0.000 0.558 430 P HA 0.132 nan 4.420 nan 0.000 0.230 430 P C -0.172 177.135 177.300 0.012 0.000 1.168 430 P CA 0.561 63.674 63.100 0.023 0.000 0.793 430 P CB 0.599 32.303 31.700 0.007 0.000 0.851 431 A N -1.215 121.607 122.820 0.003 0.000 2.583 431 A HA 0.401 4.635 4.320 -0.143 0.000 0.292 431 A C -1.598 175.983 177.584 -0.004 0.000 1.045 431 A CA -0.722 51.315 52.037 0.001 0.000 0.672 431 A CB 0.043 19.039 19.000 -0.007 0.000 1.283 431 A HN -0.212 nan 8.150 nan 0.000 0.419 432 D N 0.107 120.508 120.400 0.000 0.000 2.478 432 D HA 0.446 5.001 4.640 -0.143 0.000 0.234 432 D C 0.855 177.147 176.300 -0.013 0.000 1.154 432 D CA 2.274 56.274 54.000 -0.000 0.000 0.874 432 D CB 0.799 41.600 40.800 0.002 0.000 1.198 432 D HN 1.272 nan 8.370 nan 0.000 0.455 433 G N -1.005 107.785 108.800 -0.016 0.000 2.452 433 G HA2 0.383 4.258 3.960 -0.143 0.000 0.224 433 G HA3 0.383 4.258 3.960 -0.143 0.000 0.224 433 G C -1.708 173.173 174.900 -0.033 0.000 1.208 433 G CA -0.184 44.898 45.100 -0.030 0.000 0.946 433 G HN 0.612 nan 8.290 nan 0.000 0.481 434 V N -0.224 119.655 119.914 -0.057 0.000 2.777 434 V HA 0.647 4.682 4.120 -0.143 0.000 0.306 434 V C -0.906 175.117 176.094 -0.118 0.000 1.112 434 V CA -0.605 61.661 62.300 -0.057 0.000 0.917 434 V CB 1.767 33.572 31.823 -0.032 0.000 1.018 434 V HN 0.890 nan 8.190 nan 0.000 0.426 435 V N 7.410 127.228 119.914 -0.159 0.000 2.481 435 V HA 0.641 4.676 4.120 -0.143 0.000 0.286 435 V C 0.032 176.021 176.094 -0.174 0.000 1.042 435 V CA -0.528 61.581 62.300 -0.318 0.000 0.928 435 V CB 1.782 33.151 31.823 -0.756 0.000 0.986 435 V HN 0.861 nan 8.190 nan 0.000 0.462 436 R N 3.035 123.427 120.500 -0.180 0.000 2.532 436 R HA 0.622 4.877 4.340 -0.143 0.000 0.297 436 R C -1.536 174.728 176.300 -0.059 0.000 0.984 436 R CA -0.651 55.407 56.100 -0.071 0.000 0.884 436 R CB 2.323 32.589 30.300 -0.056 0.000 1.182 436 R HN 0.516 nan 8.270 nan 0.000 0.442 437 V N 3.099 123.035 119.914 0.036 0.000 2.333 437 V HA 0.299 4.333 4.120 -0.143 0.000 0.274 437 V C 0.502 176.624 176.094 0.048 0.000 1.028 437 V CA -0.488 61.853 62.300 0.069 0.000 0.851 437 V CB 1.043 32.973 31.823 0.177 0.000 1.000 437 V HN 0.905 nan 8.190 nan 0.000 0.456 438 T N 0.743 115.310 114.554 0.022 0.000 2.942 438 T HA 0.705 4.970 4.350 -0.143 0.000 0.289 438 T C -0.476 174.237 174.700 0.023 0.000 1.044 438 T CA -0.775 61.335 62.100 0.018 0.000 1.023 438 T CB 2.321 71.189 68.868 -0.001 0.000 1.123 438 T HN 0.640 nan 8.240 nan 0.000 0.512 439 D N 0.011 120.424 120.400 0.021 0.000 2.560 439 D HA 0.315 4.869 4.640 -0.143 0.000 0.277 439 D C 1.131 177.440 176.300 0.015 0.000 1.194 439 D CA -0.609 53.405 54.000 0.022 0.000 1.092 439 D CB 0.075 40.889 40.800 0.024 0.000 1.169 439 D HN 0.455 nan 8.370 nan 0.000 0.607 440 E N -0.467 119.742 120.200 0.015 0.000 2.110 440 E HA -0.143 4.122 4.350 -0.143 0.000 0.193 440 E C 2.004 178.608 176.600 0.008 0.000 0.988 440 E CA 1.792 58.199 56.400 0.011 0.000 0.804 440 E CB -0.306 29.401 29.700 0.013 0.000 0.745 440 E HN 0.575 nan 8.360 nan 0.000 0.458 441 S N -1.279 114.426 115.700 0.009 0.000 2.388 441 S HA 0.101 4.486 4.470 -0.143 0.000 0.223 441 S C 1.630 176.233 174.600 0.004 0.000 1.034 441 S CA 1.069 59.273 58.200 0.006 0.000 0.963 441 S CB 0.472 63.676 63.200 0.007 0.000 0.827 441 S HN 0.292 nan 8.310 nan 0.000 0.481 442 G N 0.734 109.537 108.800 0.006 0.000 2.200 442 G HA2 -0.115 3.760 3.960 -0.143 0.000 0.145 442 G HA3 -0.115 3.760 3.960 -0.143 0.000 0.145 442 G C -0.194 174.709 174.900 0.005 0.000 1.021 442 G CA -0.187 44.915 45.100 0.003 0.000 0.720 442 G HN 0.637 nan 8.290 nan 0.000 0.494 443 K N 0.763 121.168 120.400 0.009 0.000 2.368 443 K HA 0.456 4.691 4.320 -0.143 0.000 0.282 443 K C 0.126 176.735 176.600 0.016 0.000 1.035 443 K CA -0.725 55.569 56.287 0.012 0.000 0.973 443 K CB 0.474 32.983 32.500 0.014 0.000 0.957 443 K HN 0.126 nan 8.250 nan 0.000 0.474 444 L N 6.838 128.071 121.223 0.016 0.000 2.407 444 L HA 0.094 4.348 4.340 -0.143 0.000 0.282 444 L C 0.481 177.370 176.870 0.031 0.000 1.110 444 L CA 0.505 55.358 54.840 0.021 0.000 0.863 444 L CB 0.227 42.296 42.059 0.017 0.000 1.207 444 L HN 0.837 nan 8.230 nan 0.000 0.454 445 L N 4.537 125.785 121.223 0.041 0.000 2.102 445 L HA 0.128 4.382 4.340 -0.143 0.000 0.202 445 L C 0.302 177.211 176.870 0.065 0.000 1.076 445 L CA 0.692 55.563 54.840 0.051 0.000 0.761 445 L CB -0.033 42.061 42.059 0.058 0.000 0.921 445 L HN 0.452 nan 8.230 nan 0.000 0.444 446 L N -1.341 119.934 121.223 0.086 0.000 2.359 446 L HA 0.513 4.767 4.340 -0.143 0.000 0.256 446 L C -0.939 176.000 176.870 0.115 0.000 1.026 446 L CA -0.601 54.307 54.840 0.114 0.000 0.828 446 L CB 2.519 44.679 42.059 0.168 0.000 1.406 446 L HN -0.120 nan 8.230 nan 0.000 0.413 447 E N 1.882 122.161 120.200 0.131 0.000 2.677 447 E HA 0.196 4.461 4.350 -0.143 0.000 0.330 447 E C -2.086 174.592 176.600 0.129 0.000 0.933 447 E CA -0.510 55.954 56.400 0.106 0.000 0.797 447 E CB 1.736 31.469 29.700 0.055 0.000 1.326 447 E HN 0.411 nan 8.360 nan 0.000 0.404 448 Q N 2.218 122.121 119.800 0.171 0.000 2.305 448 Q HA 0.291 4.546 4.340 -0.143 0.000 0.271 448 Q C -1.125 174.953 176.000 0.129 0.000 1.046 448 Q CA -0.403 55.506 55.803 0.176 0.000 0.798 448 Q CB 2.380 31.290 28.738 0.286 0.000 1.286 448 Q HN 0.599 nan 8.270 nan 0.000 0.435 449 S N 1.794 117.545 115.700 0.084 0.000 2.568 449 S HA 0.425 4.810 4.470 -0.143 0.000 0.282 449 S C 0.078 174.719 174.600 0.069 0.000 1.338 449 S CA -0.124 58.108 58.200 0.053 0.000 1.045 449 S CB 0.079 63.302 63.200 0.038 0.000 0.873 449 S HN 0.427 nan 8.310 nan 0.000 0.516 450 V N 1.785 121.724 119.914 0.041 0.000 3.160 450 V HA 0.791 4.826 4.120 -0.143 0.000 0.310 450 V C -0.934 175.179 176.094 0.031 0.000 1.181 450 V CA -0.893 61.439 62.300 0.053 0.000 1.047 450 V CB 1.851 33.706 31.823 0.053 0.000 1.068 450 V HN 0.879 nan 8.190 nan 0.000 0.441 451 E N 0.727 120.950 120.200 0.039 0.000 2.314 451 E HA 0.672 4.937 4.350 -0.143 0.000 0.272 451 E C -0.478 176.143 176.600 0.036 0.000 0.884 451 E CA -0.913 55.504 56.400 0.029 0.000 0.753 451 E CB 2.300 32.015 29.700 0.026 0.000 1.213 451 E HN 1.284 nan 8.360 nan 0.000 0.432 452 A N 1.287 124.124 122.820 0.029 0.000 2.584 452 A HA 0.311 4.546 4.320 -0.143 0.000 0.239 452 A C 1.276 178.886 177.584 0.043 0.000 1.043 452 A CA 1.450 53.508 52.037 0.034 0.000 0.756 452 A CB -0.611 18.405 19.000 0.026 0.000 0.963 452 A HN 0.946 nan 8.150 nan 0.000 0.511 453 G N 2.130 110.963 108.800 0.055 0.000 2.299 453 G HA2 -0.219 3.656 3.960 -0.143 0.000 0.237 453 G HA3 -0.219 3.656 3.960 -0.143 0.000 0.237 453 G C 0.105 175.049 174.900 0.073 0.000 1.027 453 G CA 0.372 45.509 45.100 0.061 0.000 0.619 453 G HN 0.880 nan 8.290 nan 0.000 0.513 454 D N 0.741 121.184 120.400 0.071 0.000 2.419 454 D HA 0.373 4.928 4.640 -0.143 0.000 0.236 454 D C 1.014 177.390 176.300 0.126 0.000 1.165 454 D CA 0.401 54.446 54.000 0.074 0.000 0.882 454 D CB 0.484 41.328 40.800 0.074 0.000 1.201 454 D HN 0.413 nan 8.370 nan 0.000 0.443 455 I N 1.687 122.321 120.570 0.107 0.000 2.328 455 I HA 0.261 4.345 4.170 -0.143 0.000 0.287 455 I C -0.505 175.774 176.117 0.270 0.000 1.012 455 I CA -0.833 60.586 61.300 0.197 0.000 1.195 455 I CB 0.858 38.984 38.000 0.210 0.000 1.350 455 I HN 0.261 nan 8.210 nan 0.000 0.464 456 W N 8.864 130.271 121.300 0.178 0.000 2.573 456 W HA 0.612 5.185 4.660 -0.146 0.000 0.326 456 W C -0.424 176.251 176.519 0.260 0.000 1.049 456 W CA -0.542 56.927 57.345 0.207 0.000 1.220 456 W CB 1.111 30.681 29.460 0.183 0.000 1.373 456 W HN 0.480 nan 8.180 nan 0.000 0.507 457 R N 5.778 125.924 120.500 -0.590 0.000 2.799 457 R HA 0.760 5.014 4.340 -0.143 0.000 0.270 457 R C -1.962 173.668 176.300 -1.117 0.000 1.010 457 R CA -1.165 54.575 56.100 -0.601 0.000 0.916 457 R CB 2.142 32.297 30.300 -0.242 0.000 1.228 457 R HN 0.688 nan 8.270 nan 0.000 0.469 458 M N 1.982 121.223 119.600 -0.599 0.000 2.326 458 M HA 0.481 4.876 4.480 -0.143 0.000 0.292 458 M C -1.853 174.330 176.300 -0.195 0.000 1.081 458 M CA -0.476 54.603 55.300 -0.368 0.000 0.919 458 M CB 2.030 34.592 32.600 -0.063 0.000 1.634 458 M HN 0.830 nan 8.290 nan 0.000 0.451 459 C N 3.238 122.435 119.300 -0.171 0.000 2.493 459 C HA 0.693 5.068 4.460 -0.143 0.000 0.326 459 C C -0.839 174.115 174.990 -0.059 0.000 1.200 459 C CA -0.614 58.313 59.018 -0.152 0.000 1.739 459 C CB 1.791 29.385 27.740 -0.243 0.000 2.300 459 C HN 0.817 nan 8.230 nan 0.000 0.500 460 Q N 1.564 121.343 119.800 -0.035 0.000 2.292 460 Q HA 0.726 4.981 4.340 -0.143 0.000 0.270 460 Q C -1.334 174.682 176.000 0.027 0.000 1.024 460 Q CA -0.376 55.441 55.803 0.023 0.000 0.768 460 Q CB 1.838 30.590 28.738 0.023 0.000 1.250 460 Q HN 0.770 nan 8.270 nan 0.000 0.447 461 A N 3.565 126.432 122.820 0.079 0.000 2.258 461 A HA 0.469 4.704 4.320 -0.143 0.000 0.316 461 A C -0.659 176.935 177.584 0.017 0.000 1.279 461 A CA -0.731 51.331 52.037 0.042 0.000 0.876 461 A CB 0.689 19.745 19.000 0.093 0.000 1.170 461 A HN 0.703 nan 8.150 nan 0.000 0.520 462 K N 1.626 122.023 120.400 -0.005 0.000 2.218 462 K HA 0.075 4.309 4.320 -0.143 0.000 0.276 462 K C 0.634 177.238 176.600 0.007 0.000 1.022 462 K CA -0.475 55.815 56.287 0.004 0.000 0.946 462 K CB 1.208 33.706 32.500 -0.003 0.000 1.000 462 K HN 0.860 nan 8.250 nan 0.000 0.468 463 D N 2.911 123.329 120.400 0.030 0.000 2.103 463 D HA -0.240 4.314 4.640 -0.143 0.000 0.190 463 D C 1.517 177.821 176.300 0.006 0.000 0.997 463 D CA 1.917 55.944 54.000 0.046 0.000 0.833 463 D CB 0.236 41.084 40.800 0.080 0.000 0.961 463 D HN 0.633 nan 8.370 nan 0.000 0.447 464 A N 1.434 124.257 122.820 0.005 0.000 1.884 464 A HA -0.176 4.059 4.320 -0.143 0.000 0.219 464 A C -0.160 177.414 177.584 -0.017 0.000 1.197 464 A CA 2.364 54.395 52.037 -0.009 0.000 0.637 464 A CB -1.773 17.227 19.000 0.001 0.000 0.827 464 A HN 0.323 nan 8.150 nan 0.000 0.450 465 P HA -0.126 nan 4.420 nan 0.000 0.215 465 P C 1.391 178.703 177.300 0.020 0.000 1.153 465 P CA 1.009 64.094 63.100 -0.025 0.000 0.853 465 P CB -0.125 31.534 31.700 -0.068 0.000 0.788 466 I N -1.040 119.545 120.570 0.025 0.000 2.286 466 I HA -0.283 3.801 4.170 -0.143 0.000 0.248 466 I C 2.494 178.723 176.117 0.188 0.000 1.115 466 I CA 1.529 62.935 61.300 0.177 0.000 1.392 466 I CB -0.516 37.578 38.000 0.156 0.000 1.065 466 I HN 0.064 nan 8.210 nan 0.000 0.418 467 Q N 0.325 120.074 119.800 -0.085 0.000 1.990 467 Q HA -0.269 3.986 4.340 -0.143 0.000 0.200 467 Q C 1.857 177.841 176.000 -0.027 0.000 0.980 467 Q CA 2.094 57.752 55.803 -0.242 0.000 0.832 467 Q CB -0.273 28.266 28.738 -0.332 0.000 0.897 467 Q HN 0.424 nan 8.270 nan 0.000 0.427 468 D N -0.264 120.146 120.400 0.017 0.000 2.203 468 D HA -0.214 4.340 4.640 -0.143 0.000 0.199 468 D C 1.423 177.773 176.300 0.082 0.000 0.997 468 D CA 1.209 55.232 54.000 0.037 0.000 0.863 468 D CB -0.067 40.750 40.800 0.029 0.000 0.928 468 D HN 0.294 nan 8.370 nan 0.000 0.458 469 W N 0.561 121.808 121.300 -0.088 0.000 2.376 469 W HA -0.162 4.414 4.660 -0.140 0.000 0.324 469 W C 2.256 178.741 176.519 -0.056 0.000 1.191 469 W CA 1.500 58.800 57.345 -0.075 0.000 1.282 469 W CB -0.984 28.449 29.460 -0.046 0.000 1.185 469 W HN -0.135 nan 8.180 nan 0.000 0.458 470 V N 1.880 121.738 119.914 -0.093 0.000 2.313 470 V HA -0.413 3.622 4.120 -0.143 0.000 0.253 470 V C 2.456 178.367 176.094 -0.304 0.000 1.070 470 V CA 2.535 64.703 62.300 -0.220 0.000 1.057 470 V CB -1.344 30.476 31.823 -0.006 0.000 0.653 470 V HN 0.308 nan 8.190 nan 0.000 0.450 471 K N -0.096 120.110 120.400 -0.323 0.000 1.965 471 K HA -0.235 4.000 4.320 -0.143 0.000 0.220 471 K C 2.201 178.567 176.600 -0.390 0.000 1.046 471 K CA 2.107 58.039 56.287 -0.591 0.000 0.974 471 K CB -0.525 31.789 32.500 -0.311 0.000 0.738 471 K HN 0.270 nan 8.250 nan 0.000 0.444 472 L N 1.283 122.372 121.223 -0.223 0.000 2.123 472 L HA -0.278 3.977 4.340 -0.143 0.000 0.217 472 L C 2.102 178.847 176.870 -0.209 0.000 1.081 472 L CA 2.340 57.082 54.840 -0.164 0.000 0.772 472 L CB -0.948 41.059 42.059 -0.087 0.000 0.890 472 L HN 0.418 nan 8.230 nan 0.000 0.437 473 A N -1.202 121.437 122.820 -0.302 0.000 1.841 473 A HA -0.179 4.055 4.320 -0.143 0.000 0.216 473 A C 2.246 179.690 177.584 -0.233 0.000 1.199 473 A CA 2.436 54.263 52.037 -0.349 0.000 0.621 473 A CB -1.303 17.378 19.000 -0.531 0.000 0.835 473 A HN 0.287 nan 8.150 nan 0.000 0.445 474 V N 1.107 120.882 119.914 -0.231 0.000 2.250 474 V HA -0.361 3.673 4.120 -0.143 0.000 0.250 474 V C 2.482 178.490 176.094 -0.144 0.000 1.060 474 V CA 2.668 64.864 62.300 -0.174 0.000 1.030 474 V CB -1.352 30.320 31.823 -0.251 0.000 0.643 474 V HN 0.819 nan 8.190 nan 0.000 0.445 475 N N 0.318 118.913 118.700 -0.176 0.000 2.064 475 N HA -0.277 4.378 4.740 -0.143 0.000 0.200 475 N C 1.895 177.358 175.510 -0.079 0.000 1.028 475 N CA 2.172 55.155 53.050 -0.112 0.000 0.880 475 N CB -0.255 38.166 38.487 -0.109 0.000 1.062 475 N HN 0.252 nan 8.380 nan 0.000 0.454 476 R N 0.244 120.689 120.500 -0.091 0.000 2.091 476 R HA -0.014 4.241 4.340 -0.143 0.000 0.238 476 R C 2.245 178.511 176.300 -0.057 0.000 1.136 476 R CA 1.271 57.329 56.100 -0.070 0.000 0.959 476 R CB -1.539 28.710 30.300 -0.084 0.000 0.856 476 R HN 0.466 nan 8.270 nan 0.000 0.437 477 A N 1.165 123.946 122.820 -0.065 0.000 1.927 477 A HA -0.264 3.971 4.320 -0.143 0.000 0.220 477 A C 2.327 179.897 177.584 -0.023 0.000 1.185 477 A CA 2.015 54.029 52.037 -0.039 0.000 0.639 477 A CB -0.418 18.562 19.000 -0.034 0.000 0.820 477 A HN 0.259 nan 8.150 nan 0.000 0.451 478 R N -0.645 119.839 120.500 -0.027 0.000 2.060 478 R HA 0.080 4.335 4.340 -0.143 0.000 0.225 478 R C 2.395 178.688 176.300 -0.011 0.000 1.155 478 R CA 1.700 57.792 56.100 -0.014 0.000 0.930 478 R CB -0.801 29.491 30.300 -0.013 0.000 0.829 478 R HN 0.356 nan 8.270 nan 0.000 0.433 479 A N -0.444 122.367 122.820 -0.016 0.000 1.954 479 A HA -0.287 3.947 4.320 -0.143 0.000 0.222 479 A C 2.204 179.783 177.584 -0.009 0.000 1.199 479 A CA 2.764 54.794 52.037 -0.010 0.000 0.657 479 A CB -1.309 17.683 19.000 -0.013 0.000 0.823 479 A HN 0.727 nan 8.150 nan 0.000 0.463 480 T N -5.374 109.172 114.554 -0.013 0.000 3.039 480 T HA 0.157 4.422 4.350 -0.143 0.000 0.250 480 T C 0.735 175.431 174.700 -0.007 0.000 1.052 480 T CA 0.774 62.867 62.100 -0.011 0.000 1.125 480 T CB -0.239 68.619 68.868 -0.017 0.000 0.908 480 T HN 0.548 nan 8.240 nan 0.000 0.473 481 N N 0.945 119.641 118.700 -0.006 0.000 2.771 481 N HA -0.127 4.528 4.740 -0.143 0.000 0.249 481 N C -1.102 174.409 175.510 0.003 0.000 1.069 481 N CA 0.889 53.939 53.050 0.000 0.000 0.688 481 N CB -1.473 37.015 38.487 0.002 0.000 0.928 481 N HN 0.557 nan 8.380 nan 0.000 0.551 482 T N 0.427 114.982 114.554 0.002 0.000 2.908 482 T HA 0.601 4.865 4.350 -0.143 0.000 0.290 482 T C -2.508 172.209 174.700 0.028 0.000 1.034 482 T CA -1.146 60.959 62.100 0.008 0.000 1.010 482 T CB 1.927 70.792 68.868 -0.005 0.000 1.068 482 T HN -0.097 nan 8.240 nan 0.000 0.481 483 P HA 0.459 nan 4.420 nan 0.000 0.270 483 P C -1.602 175.757 177.300 0.100 0.000 1.223 483 P CA -0.339 62.824 63.100 0.105 0.000 0.785 483 P CB 0.448 32.267 31.700 0.197 0.000 0.923 484 A N 1.789 124.667 122.820 0.097 0.000 2.402 484 A HA 0.553 4.788 4.320 -0.143 0.000 0.291 484 A C -1.053 176.595 177.584 0.107 0.000 1.051 484 A CA -0.486 51.594 52.037 0.071 0.000 0.716 484 A CB 0.898 19.894 19.000 -0.006 0.000 1.223 484 A HN 0.271 nan 8.150 nan 0.000 0.425 485 V N 1.976 121.986 119.914 0.160 0.000 2.547 485 V HA 0.521 4.555 4.120 -0.143 0.000 0.299 485 V C -0.747 175.521 176.094 0.291 0.000 1.040 485 V CA -0.436 61.993 62.300 0.214 0.000 0.913 485 V CB 1.445 33.381 31.823 0.188 0.000 0.992 485 V HN 0.731 nan 8.190 nan 0.000 0.449 486 F N 2.591 122.650 119.950 0.182 0.000 2.405 486 F HA 0.413 4.855 4.527 -0.142 0.000 0.355 486 F C -0.325 175.717 175.800 0.405 0.000 1.121 486 F CA -0.455 57.692 58.000 0.244 0.000 1.112 486 F CB 1.138 40.197 39.000 0.097 0.000 1.126 486 F HN 0.497 nan 8.300 nan 0.000 0.481 487 W N 7.013 128.447 121.300 0.224 0.000 2.072 487 W HA 0.495 5.070 4.660 -0.142 0.000 0.413 487 W C -1.015 175.648 176.519 0.239 0.000 0.865 487 W CA -0.896 56.568 57.345 0.198 0.000 1.579 487 W CB -0.259 29.294 29.460 0.155 0.000 1.720 487 W HN 0.180 nan 8.180 nan 0.000 0.301 488 L N 2.947 124.412 121.223 0.403 0.000 2.372 488 L HA 0.252 4.507 4.340 -0.143 0.000 0.273 488 L C -0.121 176.879 176.870 0.217 0.000 0.989 488 L CA -0.845 54.187 54.840 0.319 0.000 0.841 488 L CB 1.592 43.838 42.059 0.311 0.000 1.225 488 L HN -0.059 nan 8.230 nan 0.000 0.414 489 D N 4.992 125.521 120.400 0.214 0.000 2.317 489 D HA 0.200 4.754 4.640 -0.143 0.000 0.252 489 D C -1.760 174.611 176.300 0.118 0.000 1.174 489 D CA -1.901 52.200 54.000 0.168 0.000 0.866 489 D CB 1.950 42.880 40.800 0.216 0.000 1.127 489 D HN 0.177 nan 8.370 nan 0.000 0.467 490 P HA -0.037 nan 4.420 nan 0.000 0.221 490 P C 0.881 178.202 177.300 0.036 0.000 1.150 490 P CA 0.972 64.104 63.100 0.053 0.000 0.800 490 P CB 0.235 31.960 31.700 0.042 0.000 0.787 491 A N 0.079 122.932 122.820 0.054 0.000 1.908 491 A HA -0.163 4.072 4.320 -0.143 0.000 0.218 491 A C 1.331 178.853 177.584 -0.103 0.000 1.181 491 A CA 1.050 53.095 52.037 0.014 0.000 0.627 491 A CB -1.034 18.040 19.000 0.122 0.000 0.818 491 A HN 0.135 nan 8.150 nan 0.000 0.445 492 R N -0.069 120.369 120.500 -0.105 0.000 2.343 492 R HA 0.352 4.606 4.340 -0.143 0.000 0.326 492 R C 1.272 177.555 176.300 -0.028 0.000 1.055 492 R CA 0.198 56.218 56.100 -0.135 0.000 0.961 492 R CB 0.479 30.750 30.300 -0.049 0.000 0.978 492 R HN 0.393 nan 8.270 nan 0.000 0.443 493 A N 2.612 125.408 122.820 -0.040 0.000 2.093 493 A HA -0.283 3.952 4.320 -0.143 0.000 0.222 493 A C 1.784 179.389 177.584 0.035 0.000 1.162 493 A CA 1.893 53.928 52.037 -0.002 0.000 0.655 493 A CB -0.500 18.497 19.000 -0.004 0.000 0.805 493 A HN 0.904 nan 8.150 nan 0.000 0.461 494 H N -0.292 118.760 119.070 -0.030 0.000 2.273 494 H HA -0.019 4.452 4.556 -0.141 0.000 0.311 494 H C 1.612 176.953 175.328 0.022 0.000 1.057 494 H CA 1.582 57.625 56.048 -0.008 0.000 1.360 494 H CB -0.206 29.545 29.762 -0.019 0.000 1.414 494 H HN 0.330 nan 8.280 nan 0.000 0.516 495 D N 0.670 121.146 120.400 0.126 0.000 2.172 495 D HA -0.229 4.325 4.640 -0.143 0.000 0.196 495 D C 2.125 178.440 176.300 0.026 0.000 0.999 495 D CA 1.447 55.509 54.000 0.103 0.000 0.856 495 D CB -0.699 40.213 40.800 0.187 0.000 0.934 495 D HN 0.562 nan 8.370 nan 0.000 0.453 496 A N 0.601 123.429 122.820 0.013 0.000 1.865 496 A HA -0.272 3.963 4.320 -0.143 0.000 0.217 496 A C 2.094 179.664 177.584 -0.023 0.000 1.191 496 A CA 1.667 53.705 52.037 0.002 0.000 0.623 496 A CB -0.675 18.325 19.000 -0.001 0.000 0.826 496 A HN 0.236 nan 8.150 nan 0.000 0.444 497 Q N -0.631 119.132 119.800 -0.062 0.000 2.297 497 Q HA -0.044 4.210 4.340 -0.143 0.000 0.204 497 Q C 1.975 177.940 176.000 -0.058 0.000 0.962 497 Q CA 1.217 56.982 55.803 -0.062 0.000 0.879 497 Q CB -0.125 28.569 28.738 -0.073 0.000 0.947 497 Q HN 0.543 nan 8.270 nan 0.000 0.462 498 V N 0.549 120.406 119.914 -0.094 0.000 2.719 498 V HA -0.181 3.854 4.120 -0.143 0.000 0.252 498 V C 1.986 178.135 176.094 0.091 0.000 1.065 498 V CA 1.063 63.359 62.300 -0.007 0.000 1.086 498 V CB -0.289 31.509 31.823 -0.043 0.000 0.700 498 V HN 0.332 nan 8.190 nan 0.000 0.467 499 I N 0.647 121.246 120.570 0.049 0.000 2.315 499 I HA -0.197 3.888 4.170 -0.143 0.000 0.248 499 I C 2.682 178.790 176.117 -0.015 0.000 1.117 499 I CA 1.319 62.634 61.300 0.024 0.000 1.404 499 I CB -0.476 37.534 38.000 0.017 0.000 1.071 499 I HN 0.300 nan 8.210 nan 0.000 0.419 500 A N 0.914 123.728 122.820 -0.011 0.000 1.883 500 A HA -0.216 4.018 4.320 -0.143 0.000 0.217 500 A C 2.340 179.906 177.584 -0.030 0.000 1.186 500 A CA 1.499 53.516 52.037 -0.033 0.000 0.624 500 A CB -0.413 18.569 19.000 -0.031 0.000 0.822 500 A HN 0.219 nan 8.150 nan 0.000 0.444 501 K N -0.320 120.107 120.400 0.044 0.000 1.987 501 K HA -0.159 4.076 4.320 -0.143 0.000 0.216 501 K C 2.058 178.795 176.600 0.228 0.000 1.051 501 K CA 1.663 58.052 56.287 0.171 0.000 0.942 501 K CB -1.121 31.570 32.500 0.317 0.000 0.722 501 K HN 0.333 nan 8.250 nan 0.000 0.444 502 V N 1.855 121.862 119.914 0.155 0.000 2.231 502 V HA -0.276 3.758 4.120 -0.143 0.000 0.248 502 V C 2.334 178.360 176.094 -0.113 0.000 1.054 502 V CA 1.973 64.251 62.300 -0.036 0.000 1.015 502 V CB -0.563 30.990 31.823 -0.449 0.000 0.638 502 V HN 0.416 nan 8.190 nan 0.000 0.444 503 E N -0.594 119.513 120.200 -0.154 0.000 2.147 503 E HA -0.290 3.975 4.350 -0.143 0.000 0.199 503 E C 2.457 178.991 176.600 -0.111 0.000 1.005 503 E CA 1.406 57.722 56.400 -0.140 0.000 0.810 503 E CB -0.196 29.436 29.700 -0.114 0.000 0.736 503 E HN 0.361 nan 8.360 nan 0.000 0.460 504 R N -0.437 119.977 120.500 -0.143 0.000 2.200 504 R HA -0.058 4.196 4.340 -0.143 0.000 0.208 504 R C 1.327 177.479 176.300 -0.246 0.000 1.033 504 R CA 0.686 56.650 56.100 -0.227 0.000 1.000 504 R CB 0.160 30.256 30.300 -0.341 0.000 0.906 504 R HN 0.306 nan 8.270 nan 0.000 0.462 505 Y N -0.200 120.094 120.300 -0.011 0.000 2.476 505 Y HA 0.040 4.505 4.550 -0.142 0.000 0.283 505 Y C 2.045 178.010 175.900 0.108 0.000 1.109 505 Y CA 0.252 58.380 58.100 0.047 0.000 1.246 505 Y CB 0.203 38.729 38.460 0.110 0.000 1.068 505 Y HN -0.059 nan 8.280 nan 0.000 0.552 506 L N 0.143 121.483 121.223 0.195 0.000 2.191 506 L HA -0.212 4.042 4.340 -0.143 0.000 0.212 506 L C 1.471 178.420 176.870 0.131 0.000 1.103 506 L CA 1.357 56.311 54.840 0.190 0.000 0.769 506 L CB -0.355 41.727 42.059 0.037 0.000 0.908 506 L HN 0.108 nan 8.230 nan 0.000 0.438 507 K N -0.005 120.417 120.400 0.037 0.000 2.632 507 K HA -0.069 4.166 4.320 -0.143 0.000 0.196 507 K C 0.121 176.687 176.600 -0.058 0.000 1.023 507 K CA 0.280 56.557 56.287 -0.017 0.000 1.098 507 K CB -0.007 32.462 32.500 -0.051 0.000 0.862 507 K HN 0.243 nan 8.250 nan 0.000 0.504 508 D N -1.385 118.958 120.400 -0.095 0.000 2.500 508 D HA 0.085 4.639 4.640 -0.143 0.000 0.218 508 D C -0.312 175.649 176.300 -0.564 0.000 1.140 508 D CA 0.302 54.105 54.000 -0.328 0.000 0.830 508 D CB 0.464 41.017 40.800 -0.412 0.000 1.055 508 D HN 0.054 nan 8.370 nan 0.000 0.512 509 Y N 0.008 120.325 120.300 0.027 0.000 2.753 509 Y HA 0.352 4.817 4.550 -0.142 0.000 0.324 509 Y C 0.294 176.200 175.900 0.009 0.000 1.147 509 Y CA -1.245 56.865 58.100 0.018 0.000 1.173 509 Y CB 0.936 39.407 38.460 0.019 0.000 1.361 509 Y HN -0.366 nan 8.280 nan 0.000 0.545 510 D N 0.549 121.070 120.400 0.200 0.000 2.316 510 D HA 0.077 4.631 4.640 -0.143 0.000 0.245 510 D C 0.379 176.731 176.300 0.087 0.000 1.171 510 D CA 0.382 54.443 54.000 0.103 0.000 0.856 510 D CB 1.624 42.471 40.800 0.079 0.000 1.090 510 D HN 0.663 nan 8.370 nan 0.000 0.476 511 T N 0.748 115.339 114.554 0.062 0.000 3.014 511 T HA -0.028 4.236 4.350 -0.143 0.000 0.250 511 T C 0.639 175.357 174.700 0.029 0.000 1.060 511 T CA -0.106 62.021 62.100 0.045 0.000 1.040 511 T CB 0.096 68.985 68.868 0.035 0.000 0.971 511 T HN 0.389 nan 8.240 nan 0.000 0.497 512 S N 0.784 116.500 115.700 0.026 0.000 2.629 512 S HA 0.393 4.778 4.470 -0.143 0.000 0.302 512 S C 1.405 176.016 174.600 0.018 0.000 1.244 512 S CA 0.242 58.453 58.200 0.019 0.000 1.098 512 S CB -0.336 62.874 63.200 0.017 0.000 0.858 512 S HN 1.029 nan 8.310 nan 0.000 0.502 513 G N 2.143 110.952 108.800 0.015 0.000 2.141 513 G HA2 -0.169 3.706 3.960 -0.143 0.000 0.242 513 G HA3 -0.169 3.706 3.960 -0.143 0.000 0.242 513 G C -0.209 174.701 174.900 0.017 0.000 0.982 513 G CA 0.045 45.154 45.100 0.015 0.000 0.662 513 G HN 0.665 nan 8.290 nan 0.000 0.527 514 L N 0.782 122.017 121.223 0.019 0.000 2.346 514 L HA 0.496 4.750 4.340 -0.143 0.000 0.276 514 L C -0.581 176.304 176.870 0.026 0.000 1.006 514 L CA -0.605 54.248 54.840 0.022 0.000 0.817 514 L CB 1.656 43.728 42.059 0.021 0.000 1.272 514 L HN -0.047 nan 8.230 nan 0.000 0.421 515 D N 3.556 123.977 120.400 0.035 0.000 2.896 515 D HA 0.294 4.848 4.640 -0.143 0.000 0.240 515 D C 0.440 176.765 176.300 0.042 0.000 1.193 515 D CA 0.187 54.213 54.000 0.043 0.000 0.983 515 D CB 0.133 40.977 40.800 0.073 0.000 1.074 515 D HN 0.291 nan 8.370 nan 0.000 0.496 516 I N 1.795 122.386 120.570 0.034 0.000 2.395 516 I HA 0.313 4.397 4.170 -0.143 0.000 0.289 516 I C 0.786 176.916 176.117 0.021 0.000 1.023 516 I CA -0.437 60.895 61.300 0.053 0.000 1.350 516 I CB 0.696 38.737 38.000 0.069 0.000 1.409 516 I HN 0.008 nan 8.210 nan 0.000 0.507 517 R N 6.204 126.720 120.500 0.027 0.000 2.710 517 R HA 0.654 4.909 4.340 -0.143 0.000 0.270 517 R C -1.991 174.321 176.300 0.020 0.000 1.021 517 R CA -0.874 55.205 56.100 -0.035 0.000 0.889 517 R CB 1.639 31.854 30.300 -0.142 0.000 1.243 517 R HN 0.479 nan 8.270 nan 0.000 0.464 518 I N 3.080 123.641 120.570 -0.015 0.000 2.354 518 I HA 0.453 4.537 4.170 -0.143 0.000 0.292 518 I C -0.279 175.835 176.117 -0.006 0.000 0.989 518 I CA -0.883 60.444 61.300 0.044 0.000 1.188 518 I CB 1.500 39.494 38.000 -0.010 0.000 1.342 518 I HN 0.369 nan 8.210 nan 0.000 0.457 519 L N 3.775 125.009 121.223 0.017 0.000 2.403 519 L HA 0.484 4.739 4.340 -0.143 0.000 0.253 519 L C -0.051 176.817 176.870 -0.002 0.000 1.045 519 L CA -0.880 53.931 54.840 -0.047 0.000 0.845 519 L CB 2.439 44.402 42.059 -0.161 0.000 1.447 519 L HN 0.595 nan 8.230 nan 0.000 0.411 520 S N -0.825 114.863 115.700 -0.020 0.000 2.580 520 S HA 0.252 4.637 4.470 -0.143 0.000 0.274 520 S C -2.149 172.421 174.600 -0.050 0.000 1.329 520 S CA -1.071 57.147 58.200 0.030 0.000 1.036 520 S CB 1.143 64.368 63.200 0.040 0.000 0.919 520 S HN 0.397 nan 8.310 nan 0.000 0.515 521 P HA -0.140 nan 4.420 nan 0.000 0.218 521 P C 1.336 178.556 177.300 -0.135 0.000 1.146 521 P CA 0.766 63.908 63.100 0.071 0.000 0.820 521 P CB -0.173 31.767 31.700 0.400 0.000 0.778 522 V N -0.219 119.668 119.914 -0.045 0.000 2.255 522 V HA -0.216 3.819 4.120 -0.143 0.000 0.243 522 V C 2.248 178.281 176.094 -0.102 0.000 1.038 522 V CA 1.754 64.027 62.300 -0.046 0.000 1.008 522 V CB -1.344 30.480 31.823 0.002 0.000 0.645 522 V HN 0.120 nan 8.190 nan 0.000 0.449 523 E N 0.653 120.792 120.200 -0.101 0.000 2.077 523 E HA -0.195 4.069 4.350 -0.143 0.000 0.193 523 E C 2.344 178.844 176.600 -0.168 0.000 0.989 523 E CA 1.344 57.687 56.400 -0.095 0.000 0.800 523 E CB -0.383 29.268 29.700 -0.080 0.000 0.746 523 E HN 0.575 nan 8.360 nan 0.000 0.452 524 A N 0.777 123.370 122.820 -0.377 0.000 1.940 524 A HA -0.193 4.041 4.320 -0.143 0.000 0.219 524 A C 2.346 179.540 177.584 -0.651 0.000 1.176 524 A CA 1.939 53.568 52.037 -0.681 0.000 0.631 524 A CB -0.821 17.269 19.000 -1.517 0.000 0.814 524 A HN 0.187 nan 8.150 nan 0.000 0.446 525 T N -0.625 113.565 114.554 -0.606 0.000 2.915 525 T HA -0.072 4.192 4.350 -0.143 0.000 0.269 525 T C 2.014 176.705 174.700 -0.015 0.000 1.071 525 T CA 1.328 63.304 62.100 -0.207 0.000 1.132 525 T CB -0.150 68.703 68.868 -0.025 0.000 0.878 525 T HN 0.518 nan 8.240 nan 0.000 0.479 526 R N 0.169 120.646 120.500 -0.037 0.000 2.052 526 R HA 0.085 4.340 4.340 -0.143 0.000 0.226 526 R C 2.171 178.492 176.300 0.035 0.000 1.145 526 R CA 1.144 57.255 56.100 0.018 0.000 0.952 526 R CB -0.652 29.661 30.300 0.022 0.000 0.847 526 R HN 0.332 nan 8.270 nan 0.000 0.431 527 F N 1.902 121.794 119.950 -0.098 0.000 2.192 527 F HA -0.252 4.190 4.527 -0.143 0.000 0.301 527 F C 2.038 177.799 175.800 -0.065 0.000 1.079 527 F CA 1.493 59.446 58.000 -0.080 0.000 1.303 527 F CB -0.042 38.899 39.000 -0.097 0.000 1.024 527 F HN -0.104 nan 8.300 nan 0.000 0.494 528 S N 0.703 116.374 115.700 -0.049 0.000 2.336 528 S HA -0.049 4.335 4.470 -0.143 0.000 0.216 528 S C 2.007 176.532 174.600 -0.124 0.000 1.032 528 S CA 1.167 59.300 58.200 -0.111 0.000 0.973 528 S CB -0.610 62.618 63.200 0.047 0.000 0.888 528 S HN 0.366 nan 8.310 nan 0.000 0.455 529 L N 1.402 122.635 121.223 0.018 0.000 2.349 529 L HA -0.167 4.087 4.340 -0.143 0.000 0.220 529 L C 2.503 179.350 176.870 -0.039 0.000 1.130 529 L CA 0.796 55.687 54.840 0.084 0.000 0.791 529 L CB -0.807 41.357 42.059 0.176 0.000 0.918 529 L HN 0.304 nan 8.230 nan 0.000 0.444 530 A N 0.715 123.460 122.820 -0.125 0.000 1.823 530 A HA -0.160 4.074 4.320 -0.143 0.000 0.214 530 A C 2.343 179.803 177.584 -0.207 0.000 1.225 530 A CA 1.153 53.084 52.037 -0.177 0.000 0.604 530 A CB -0.524 18.354 19.000 -0.203 0.000 0.878 530 A HN 0.255 nan 8.150 nan 0.000 0.450 531 R N -0.610 119.702 120.500 -0.313 0.000 2.133 531 R HA -0.171 4.083 4.340 -0.143 0.000 0.247 531 R C 2.077 178.268 176.300 -0.181 0.000 1.151 531 R CA 1.643 57.574 56.100 -0.283 0.000 0.971 531 R CB -0.718 29.344 30.300 -0.396 0.000 0.866 531 R HN 0.676 nan 8.270 nan 0.000 0.447 532 I N 0.895 121.369 120.570 -0.159 0.000 2.099 532 I HA -0.336 3.748 4.170 -0.143 0.000 0.239 532 I C 2.329 178.428 176.117 -0.030 0.000 1.066 532 I CA 1.569 62.812 61.300 -0.096 0.000 1.324 532 I CB -0.020 37.933 38.000 -0.078 0.000 1.037 532 I HN 0.139 nan 8.210 nan 0.000 0.401 533 R N 0.532 121.024 120.500 -0.013 0.000 2.096 533 R HA -0.210 4.044 4.340 -0.143 0.000 0.235 533 R C 1.968 178.240 176.300 -0.047 0.000 1.127 533 R CA 1.805 57.896 56.100 -0.015 0.000 0.968 533 R CB -0.424 29.820 30.300 -0.093 0.000 0.861 533 R HN 0.639 nan 8.270 nan 0.000 0.440 534 E N -0.256 119.898 120.200 -0.077 0.000 2.478 534 E HA -0.009 4.255 4.350 -0.143 0.000 0.198 534 E C 0.688 177.257 176.600 -0.052 0.000 1.046 534 E CA 0.637 56.997 56.400 -0.067 0.000 0.870 534 E CB 0.253 29.904 29.700 -0.081 0.000 0.818 534 E HN 0.356 nan 8.360 nan 0.000 0.527 535 G N 1.177 109.947 108.800 -0.050 0.000 2.141 535 G HA2 -0.170 3.704 3.960 -0.143 0.000 0.195 535 G HA3 -0.170 3.704 3.960 -0.143 0.000 0.195 535 G C -0.338 174.529 174.900 -0.054 0.000 1.012 535 G CA -0.149 44.927 45.100 -0.040 0.000 0.696 535 G HN 0.062 nan 8.290 nan 0.000 0.508 536 K N 0.847 121.199 120.400 -0.080 0.000 2.207 536 K HA 0.598 4.832 4.320 -0.143 0.000 0.255 536 K C -0.173 176.363 176.600 -0.106 0.000 0.941 536 K CA -0.941 55.293 56.287 -0.088 0.000 0.825 536 K CB 1.508 33.946 32.500 -0.103 0.000 1.119 536 K HN 0.117 nan 8.250 nan 0.000 0.430 537 D N 0.477 120.827 120.400 -0.084 0.000 2.398 537 D HA 0.288 4.843 4.640 -0.143 0.000 0.247 537 D C -0.196 176.052 176.300 -0.086 0.000 1.227 537 D CA 0.365 54.312 54.000 -0.088 0.000 0.980 537 D CB 0.988 41.753 40.800 -0.059 0.000 1.106 537 D HN 0.435 nan 8.370 nan 0.000 0.493 538 T N 0.042 114.551 114.554 -0.075 0.000 4.307 538 T HA 0.203 4.468 4.350 -0.143 0.000 0.339 538 T C -0.580 174.123 174.700 0.005 0.000 0.801 538 T CA -0.621 61.470 62.100 -0.014 0.000 0.962 538 T CB -0.579 68.279 68.868 -0.017 0.000 1.110 538 T HN 0.255 nan 8.240 nan 0.000 0.466 539 I N 3.765 124.342 120.570 0.011 0.000 2.821 539 I HA 0.095 4.179 4.170 -0.143 0.000 0.294 539 I C 0.950 177.081 176.117 0.023 0.000 1.210 539 I CA 0.399 61.691 61.300 -0.014 0.000 1.430 539 I CB 0.828 38.805 38.000 -0.039 0.000 1.356 539 I HN 0.582 nan 8.210 nan 0.000 0.563 540 S N 6.902 122.589 115.700 -0.021 0.000 2.434 540 S HA 0.342 4.726 4.470 -0.143 0.000 0.318 540 S C -0.474 174.008 174.600 -0.197 0.000 1.062 540 S CA -0.705 57.477 58.200 -0.030 0.000 1.116 540 S CB 0.296 63.415 63.200 -0.134 0.000 0.977 540 S HN 0.342 nan 8.310 nan 0.000 0.480 541 V N 6.475 126.256 119.914 -0.223 0.000 2.334 541 V HA 0.508 4.542 4.120 -0.143 0.000 0.267 541 V C 0.710 176.687 176.094 -0.194 0.000 1.040 541 V CA -0.188 61.865 62.300 -0.412 0.000 0.866 541 V CB 0.493 31.643 31.823 -1.122 0.000 1.019 541 V HN 0.994 nan 8.190 nan 0.000 0.468 542 T N 1.853 116.384 114.554 -0.038 0.000 2.804 542 T HA 0.753 5.017 4.350 -0.143 0.000 0.290 542 T C 0.507 175.225 174.700 0.030 0.000 1.099 542 T CA -0.074 62.035 62.100 0.017 0.000 1.011 542 T CB 1.605 70.246 68.868 -0.377 0.000 1.291 542 T HN 0.686 nan 8.240 nan 0.000 0.523 543 G N 0.296 109.050 108.800 -0.077 0.000 2.466 543 G HA2 0.130 4.005 3.960 -0.143 0.000 0.279 543 G HA3 0.130 4.005 3.960 -0.143 0.000 0.279 543 G C 0.740 175.427 174.900 -0.355 0.000 1.410 543 G CA -0.113 44.831 45.100 -0.261 0.000 1.065 543 G HN 0.781 nan 8.290 nan 0.000 0.547 544 N N -1.602 116.866 118.700 -0.386 0.000 2.251 544 N HA -0.092 4.562 4.740 -0.143 0.000 0.181 544 N C 2.399 177.623 175.510 -0.477 0.000 1.019 544 N CA 1.002 53.767 53.050 -0.475 0.000 0.862 544 N CB -0.166 38.015 38.487 -0.509 0.000 0.992 544 N HN 0.164 nan 8.380 nan 0.000 0.429 545 V N 1.645 121.302 119.914 -0.428 0.000 2.307 545 V HA -0.134 3.900 4.120 -0.143 0.000 0.245 545 V C 2.536 178.101 176.094 -0.883 0.000 1.045 545 V CA 1.059 63.005 62.300 -0.590 0.000 1.024 545 V CB -0.487 30.837 31.823 -0.833 0.000 0.651 545 V HN 0.244 nan 8.190 nan 0.000 0.449 546 L N -0.204 120.510 121.223 -0.849 0.000 2.083 546 L HA -0.198 4.056 4.340 -0.143 0.000 0.209 546 L C 2.753 179.352 176.870 -0.452 0.000 1.083 546 L CA 1.752 56.185 54.840 -0.679 0.000 0.752 546 L CB -0.657 41.102 42.059 -0.498 0.000 0.899 546 L HN 0.310 nan 8.230 nan 0.000 0.433 547 R N 0.341 120.601 120.500 -0.399 0.000 2.134 547 R HA -0.288 3.967 4.340 -0.143 0.000 0.248 547 R C 1.888 178.061 176.300 -0.212 0.000 1.143 547 R CA 2.565 58.485 56.100 -0.300 0.000 0.957 547 R CB -0.316 29.798 30.300 -0.310 0.000 0.867 547 R HN 0.383 nan 8.270 nan 0.000 0.441 548 D N -0.821 119.470 120.400 -0.182 0.000 2.092 548 D HA -0.157 4.397 4.640 -0.143 0.000 0.203 548 D C 1.824 178.175 176.300 0.085 0.000 0.978 548 D CA 1.750 55.739 54.000 -0.018 0.000 0.861 548 D CB -0.626 40.235 40.800 0.101 0.000 1.005 548 D HN 0.374 nan 8.370 nan 0.000 0.450 549 Y N 0.320 120.554 120.300 -0.111 0.000 2.100 549 Y HA -0.339 4.124 4.550 -0.145 0.000 0.267 549 Y C 2.538 178.367 175.900 -0.119 0.000 1.250 549 Y CA 0.980 59.034 58.100 -0.077 0.000 1.105 549 Y CB -0.344 38.025 38.460 -0.152 0.000 0.924 549 Y HN 0.101 nan 8.280 nan 0.000 0.508 550 L N -0.519 120.687 121.223 -0.028 0.000 2.027 550 L HA -0.179 4.076 4.340 -0.143 0.000 0.206 550 L C 2.633 179.497 176.870 -0.009 0.000 1.074 550 L CA 1.761 56.555 54.840 -0.077 0.000 0.745 550 L CB -1.239 40.729 42.059 -0.153 0.000 0.898 550 L HN 0.338 nan 8.230 nan 0.000 0.433 551 T N -4.102 110.436 114.554 -0.026 0.000 2.897 551 T HA -0.214 4.051 4.350 -0.143 0.000 0.271 551 T C 1.524 176.221 174.700 -0.005 0.000 1.084 551 T CA 1.394 63.486 62.100 -0.014 0.000 1.123 551 T CB -0.241 68.603 68.868 -0.041 0.000 0.865 551 T HN 0.295 nan 8.240 nan 0.000 0.496 552 D N -0.006 120.394 120.400 -0.000 0.000 2.262 552 D HA 0.105 4.659 4.640 -0.143 0.000 0.212 552 D C 1.766 178.051 176.300 -0.025 0.000 0.964 552 D CA 0.182 54.179 54.000 -0.004 0.000 0.875 552 D CB 0.145 40.956 40.800 0.019 0.000 0.996 552 D HN 0.301 nan 8.370 nan 0.000 0.497 553 L N 0.281 121.475 121.223 -0.048 0.000 1.909 553 L HA -0.030 4.225 4.340 -0.143 0.000 0.216 553 L C 2.175 178.945 176.870 -0.166 0.000 1.097 553 L CA 1.532 56.289 54.840 -0.137 0.000 0.777 553 L CB -1.366 40.529 42.059 -0.274 0.000 0.887 553 L HN -0.070 nan 8.230 nan 0.000 0.432 554 F N 0.084 119.999 119.950 -0.058 0.000 2.063 554 F HA -0.280 4.162 4.527 -0.141 0.000 0.298 554 F C -0.075 175.658 175.800 -0.112 0.000 1.105 554 F CA 2.345 60.273 58.000 -0.119 0.000 1.215 554 F CB -2.109 36.833 39.000 -0.097 0.000 0.972 554 F HN 0.253 nan 8.300 nan 0.000 0.483 555 P HA -0.217 nan 4.420 nan 0.000 0.216 555 P C 1.746 179.027 177.300 -0.032 0.000 1.153 555 P CA 1.650 64.761 63.100 0.017 0.000 0.858 555 P CB -0.112 31.586 31.700 -0.004 0.000 0.789 556 I N -1.808 118.737 120.570 -0.042 0.000 2.163 556 I HA -0.276 3.808 4.170 -0.143 0.000 0.243 556 I C 2.254 178.343 176.117 -0.046 0.000 1.085 556 I CA 1.481 62.742 61.300 -0.065 0.000 1.347 556 I CB -0.552 37.425 38.000 -0.037 0.000 1.044 556 I HN -0.051 nan 8.210 nan 0.000 0.408 557 M N 0.398 119.990 119.600 -0.013 0.000 2.108 557 M HA -0.235 4.160 4.480 -0.143 0.000 0.261 557 M C 2.171 178.584 176.300 0.189 0.000 1.066 557 M CA 1.965 57.290 55.300 0.042 0.000 1.107 557 M CB -1.345 31.105 32.600 -0.249 0.000 1.356 557 M HN 0.431 nan 8.290 nan 0.000 0.406 558 E N -0.085 120.168 120.200 0.088 0.000 2.190 558 E HA -0.013 4.251 4.350 -0.143 0.000 0.191 558 E C 1.663 178.364 176.600 0.169 0.000 0.978 558 E CA 0.601 57.096 56.400 0.158 0.000 0.839 558 E CB -0.135 29.605 29.700 0.067 0.000 0.787 558 E HN 0.475 nan 8.360 nan 0.000 0.473 559 L N -0.285 120.893 121.223 -0.074 0.000 2.766 559 L HA 0.448 4.702 4.340 -0.143 0.000 0.242 559 L C 1.499 178.066 176.870 -0.506 0.000 1.136 559 L CA 0.185 54.935 54.840 -0.149 0.000 0.933 559 L CB 0.853 42.879 42.059 -0.055 0.000 1.241 559 L HN 0.428 nan 8.230 nan 0.000 0.522 560 G N 0.459 108.745 108.800 -0.856 0.000 2.550 560 G HA2 -0.283 3.592 3.960 -0.143 0.000 0.233 560 G HA3 -0.283 3.592 3.960 -0.143 0.000 0.233 560 G C 0.421 175.165 174.900 -0.261 0.000 1.170 560 G CA 0.463 45.134 45.100 -0.715 0.000 0.693 560 G HN 0.298 nan 8.290 nan 0.000 0.512 561 T N 0.165 114.594 114.554 -0.208 0.000 2.900 561 T HA 0.597 4.861 4.350 -0.143 0.000 0.295 561 T C 1.176 175.801 174.700 -0.125 0.000 1.044 561 T CA 0.432 62.445 62.100 -0.145 0.000 0.995 561 T CB 1.801 70.573 68.868 -0.159 0.000 1.072 561 T HN 0.801 nan 8.240 nan 0.000 0.473 562 S N 1.192 116.829 115.700 -0.105 0.000 2.446 562 S HA 0.040 4.425 4.470 -0.143 0.000 0.225 562 S C 2.316 176.854 174.600 -0.104 0.000 1.016 562 S CA 0.438 58.589 58.200 -0.081 0.000 0.943 562 S CB -0.427 62.741 63.200 -0.054 0.000 0.786 562 S HN 0.783 nan 8.310 nan 0.000 0.508 563 A N 2.077 124.802 122.820 -0.158 0.000 2.024 563 A HA -0.013 4.221 4.320 -0.143 0.000 0.220 563 A C 1.961 179.424 177.584 -0.203 0.000 1.164 563 A CA 1.351 53.257 52.037 -0.218 0.000 0.643 563 A CB -0.599 18.153 19.000 -0.412 0.000 0.806 563 A HN 0.498 nan 8.150 nan 0.000 0.451 564 K N -0.003 120.290 120.400 -0.177 0.000 2.706 564 K HA 0.128 4.363 4.320 -0.143 0.000 0.217 564 K C 0.329 176.872 176.600 -0.096 0.000 1.019 564 K CA 0.027 56.225 56.287 -0.149 0.000 1.181 564 K CB -0.485 31.939 32.500 -0.126 0.000 0.940 564 K HN 0.801 nan 8.250 nan 0.000 0.491 565 M N -2.164 117.386 119.600 -0.083 0.000 2.744 565 M HA 0.377 4.771 4.480 -0.143 0.000 0.283 565 M C -1.386 174.893 176.300 -0.034 0.000 1.275 565 M CA -1.108 54.163 55.300 -0.049 0.000 0.796 565 M CB 1.225 33.803 32.600 -0.038 0.000 1.739 565 M HN -0.164 nan 8.290 nan 0.000 0.454 566 L N 1.469 122.682 121.223 -0.017 0.000 2.292 566 L HA 0.555 4.810 4.340 -0.143 0.000 0.284 566 L C -0.697 176.171 176.870 -0.003 0.000 1.065 566 L CA -0.046 54.795 54.840 0.001 0.000 0.806 566 L CB 1.534 43.600 42.059 0.012 0.000 1.175 566 L HN 0.891 nan 8.230 nan 0.000 0.431 567 S N 6.065 121.770 115.700 0.008 0.000 2.746 567 S HA 0.533 4.917 4.470 -0.143 0.000 0.273 567 S C -0.794 173.794 174.600 -0.019 0.000 1.172 567 S CA -0.593 57.597 58.200 -0.016 0.000 1.116 567 S CB 0.353 63.536 63.200 -0.028 0.000 1.057 567 S HN 0.508 nan 8.310 nan 0.000 0.483 568 I N 4.115 124.658 120.570 -0.045 0.000 2.377 568 I HA 0.481 4.566 4.170 -0.143 0.000 0.293 568 I C -0.623 175.377 176.117 -0.195 0.000 0.987 568 I CA -0.941 60.286 61.300 -0.122 0.000 1.185 568 I CB 2.078 40.048 38.000 -0.049 0.000 1.341 568 I HN 0.270 nan 8.210 nan 0.000 0.455 569 V N 8.132 127.852 119.914 -0.323 0.000 2.304 569 V HA 0.270 4.305 4.120 -0.143 0.000 0.278 569 V C -2.348 173.559 176.094 -0.312 0.000 1.018 569 V CA -1.673 60.469 62.300 -0.263 0.000 0.814 569 V CB 1.259 32.944 31.823 -0.229 0.000 1.021 569 V HN 0.557 nan 8.190 nan 0.000 0.440 570 P HA 0.220 nan 4.420 nan 0.000 0.271 570 P C -0.012 177.217 177.300 -0.118 0.000 1.380 570 P CA -0.079 62.928 63.100 -0.155 0.000 0.992 570 P CB 0.223 31.877 31.700 -0.077 0.000 1.230 571 L N 3.169 124.311 121.223 -0.136 0.000 2.540 571 L HA 0.066 4.320 4.340 -0.143 0.000 0.276 571 L C 1.427 178.276 176.870 -0.035 0.000 1.212 571 L CA 0.308 55.097 54.840 -0.084 0.000 0.893 571 L CB 0.052 42.064 42.059 -0.078 0.000 1.138 571 L HN 0.323 nan 8.230 nan 0.000 0.491 572 M N 3.969 123.552 119.600 -0.028 0.000 3.759 572 M HA 0.030 4.425 4.480 -0.143 0.000 0.190 572 M C -0.193 176.109 176.300 0.003 0.000 1.478 572 M CA 0.367 55.661 55.300 -0.009 0.000 1.691 572 M CB -0.671 31.922 32.600 -0.012 0.000 1.113 572 M HN 0.693 nan 8.290 nan 0.000 0.542 573 S N -2.326 113.382 115.700 0.014 0.000 3.255 573 S HA 0.217 4.602 4.470 -0.143 0.000 0.125 573 S C 0.479 175.107 174.600 0.047 0.000 0.855 573 S CA -0.511 57.705 58.200 0.025 0.000 0.833 573 S CB -0.794 62.418 63.200 0.019 0.000 1.449 573 S HN 0.817 nan 8.310 nan 0.000 0.640 574 G N 0.548 109.384 108.800 0.061 0.000 2.393 574 G HA2 -0.117 3.757 3.960 -0.143 0.000 0.304 574 G HA3 -0.117 3.757 3.960 -0.143 0.000 0.304 574 G C 0.775 175.784 174.900 0.181 0.000 0.977 574 G CA 0.779 45.945 45.100 0.110 0.000 0.803 574 G HN 1.504 nan 8.290 nan 0.000 0.511 575 G N -1.376 107.486 108.800 0.103 0.000 2.532 575 G HA2 0.750 4.625 3.960 -0.143 0.000 0.291 575 G HA3 0.750 4.625 3.960 -0.143 0.000 0.291 575 G C 0.228 175.070 174.900 -0.096 0.000 1.349 575 G CA -0.218 44.929 45.100 0.078 0.000 1.038 575 G HN 1.328 nan 8.290 nan 0.000 0.518 576 G N -0.979 107.682 108.800 -0.232 0.000 2.575 576 G HA2 0.477 4.351 3.960 -0.143 0.000 0.279 576 G HA3 0.477 4.351 3.960 -0.143 0.000 0.279 576 G C -1.632 172.930 174.900 -0.563 0.000 1.460 576 G CA -0.383 44.358 45.100 -0.598 0.000 1.214 576 G HN 0.551 nan 8.290 nan 0.000 0.582 577 L N 2.889 123.723 121.223 -0.647 0.000 2.264 577 L HA 0.688 4.942 4.340 -0.143 0.000 0.287 577 L C -1.174 175.336 176.870 -0.600 0.000 1.039 577 L CA -1.140 53.453 54.840 -0.411 0.000 0.829 577 L CB 0.108 42.017 42.059 -0.249 0.000 1.211 577 L HN 0.360 nan 8.230 nan 0.000 0.427 578 F N 3.694 123.598 119.950 -0.076 0.000 2.291 578 F HA 0.387 4.828 4.527 -0.143 0.000 0.368 578 F C 0.769 176.539 175.800 -0.050 0.000 1.085 578 F CA -0.618 57.348 58.000 -0.056 0.000 1.165 578 F CB 0.400 39.376 39.000 -0.039 0.000 1.429 578 F HN 0.444 nan 8.300 nan 0.000 0.503 579 E N 1.226 121.446 120.200 0.033 0.000 2.383 579 E HA 0.088 4.352 4.350 -0.143 0.000 0.264 579 E C 0.723 177.347 176.600 0.040 0.000 1.050 579 E CA -0.112 56.296 56.400 0.013 0.000 0.896 579 E CB 1.183 30.869 29.700 -0.023 0.000 0.982 579 E HN 0.519 nan 8.360 nan 0.000 0.424 580 T N 1.216 115.786 114.554 0.027 0.000 2.564 580 T HA -0.003 4.261 4.350 -0.143 0.000 0.259 580 T C 0.663 175.367 174.700 0.006 0.000 1.087 580 T CA 1.191 63.311 62.100 0.033 0.000 1.184 580 T CB -0.038 68.870 68.868 0.065 0.000 0.864 580 T HN 0.640 nan 8.240 nan 0.000 0.403 581 G N -1.370 107.431 108.800 0.002 0.000 2.733 581 G HA2 0.578 4.452 3.960 -0.143 0.000 0.288 581 G HA3 0.578 4.452 3.960 -0.143 0.000 0.288 581 G C 0.194 175.080 174.900 -0.022 0.000 1.373 581 G CA -0.052 45.026 45.100 -0.036 0.000 0.895 581 G HN 0.314 nan 8.290 nan 0.000 0.479 582 A N -0.724 122.074 122.820 -0.037 0.000 2.261 582 A HA 0.532 4.766 4.320 -0.143 0.000 0.208 582 A C 1.266 178.843 177.584 -0.013 0.000 1.223 582 A CA 1.051 53.073 52.037 -0.024 0.000 0.833 582 A CB -0.669 18.313 19.000 -0.030 0.000 0.830 582 A HN 1.162 nan 8.150 nan 0.000 0.483 583 G N -1.795 106.997 108.800 -0.014 0.000 2.753 583 G HA2 0.556 4.431 3.960 -0.143 0.000 0.285 583 G HA3 0.556 4.431 3.960 -0.143 0.000 0.285 583 G C 0.191 175.133 174.900 0.071 0.000 1.344 583 G CA -0.122 44.981 45.100 0.005 0.000 1.050 583 G HN 0.579 nan 8.290 nan 0.000 0.532 584 G N -1.094 107.771 108.800 0.108 0.000 3.075 584 G HA2 0.541 4.416 3.960 -0.143 0.000 0.253 584 G HA3 0.541 4.416 3.960 -0.143 0.000 0.253 584 G C 0.229 175.292 174.900 0.272 0.000 1.353 584 G CA 0.162 45.348 45.100 0.144 0.000 1.051 584 G HN 0.956 nan 8.290 nan 0.000 0.553 585 S N -1.033 114.761 115.700 0.156 0.000 2.606 585 S HA 0.478 4.863 4.470 -0.143 0.000 0.257 585 S C 0.229 174.946 174.600 0.194 0.000 1.327 585 S CA 0.269 58.516 58.200 0.079 0.000 0.984 585 S CB 1.253 64.428 63.200 -0.042 0.000 0.941 585 S HN 1.507 nan 8.310 nan 0.000 0.576 586 A N 1.088 123.998 122.820 0.149 0.000 3.030 586 A HA 0.611 4.846 4.320 -0.143 0.000 0.335 586 A C -2.004 175.614 177.584 0.058 0.000 1.089 586 A CA -1.637 50.435 52.037 0.058 0.000 0.807 586 A CB 0.183 19.106 19.000 -0.129 0.000 1.099 586 A HN 0.508 nan 8.150 nan 0.000 0.474 587 P HA -0.304 nan 4.420 nan 0.000 0.219 587 P C 1.365 178.750 177.300 0.141 0.000 1.159 587 P CA 1.959 65.138 63.100 0.133 0.000 0.944 587 P CB 0.151 31.912 31.700 0.101 0.000 0.792 588 K N -1.887 118.569 120.400 0.093 0.000 2.211 588 K HA -0.201 4.034 4.320 -0.143 0.000 0.204 588 K C 2.103 178.855 176.600 0.252 0.000 1.047 588 K CA 1.319 57.680 56.287 0.124 0.000 0.935 588 K CB -0.641 31.911 32.500 0.087 0.000 0.728 588 K HN 0.468 nan 8.250 nan 0.000 0.452 589 H N -0.575 118.593 119.070 0.164 0.000 2.491 589 H HA -0.057 4.414 4.556 -0.141 0.000 0.290 589 H C 1.857 177.292 175.328 0.178 0.000 1.050 589 H CA 0.567 56.730 56.048 0.192 0.000 1.309 589 H CB 0.377 30.293 29.762 0.257 0.000 1.392 589 H HN -0.031 nan 8.280 nan 0.000 0.554 590 V N 0.503 120.590 119.914 0.289 0.000 2.599 590 V HA -0.159 3.875 4.120 -0.143 0.000 0.245 590 V C 2.037 178.293 176.094 0.269 0.000 1.046 590 V CA 1.062 63.524 62.300 0.270 0.000 1.065 590 V CB -0.173 31.823 31.823 0.289 0.000 0.703 590 V HN 0.416 nan 8.190 nan 0.000 0.464 591 Q N 0.172 120.093 119.800 0.202 0.000 2.096 591 Q HA -0.327 3.928 4.340 -0.143 0.000 0.204 591 Q C 2.285 178.361 176.000 0.127 0.000 0.982 591 Q CA 2.184 58.059 55.803 0.119 0.000 0.850 591 Q CB -0.248 28.533 28.738 0.071 0.000 0.901 591 Q HN 0.680 nan 8.270 nan 0.000 0.422 592 Q N -0.023 119.884 119.800 0.179 0.000 2.083 592 Q HA -0.171 4.084 4.340 -0.143 0.000 0.198 592 Q C 1.875 178.006 176.000 0.217 0.000 0.969 592 Q CA 0.924 56.832 55.803 0.176 0.000 0.838 592 Q CB -0.069 28.797 28.738 0.213 0.000 0.900 592 Q HN 0.337 nan 8.270 nan 0.000 0.436 593 F N 1.044 121.055 119.950 0.102 0.000 2.134 593 F HA -0.126 4.314 4.527 -0.144 0.000 0.299 593 F C 1.498 177.327 175.800 0.049 0.000 1.097 593 F CA 1.200 59.244 58.000 0.073 0.000 1.264 593 F CB -0.055 38.973 39.000 0.046 0.000 1.001 593 F HN 0.061 nan 8.300 nan 0.000 0.479 594 L N -0.442 120.802 121.223 0.036 0.000 2.610 594 L HA -0.025 4.229 4.340 -0.143 0.000 0.232 594 L C 1.516 178.336 176.870 -0.084 0.000 1.149 594 L CA 0.622 55.414 54.840 -0.080 0.000 0.872 594 L CB -0.407 41.672 42.059 0.033 0.000 0.992 594 L HN 0.265 nan 8.230 nan 0.000 0.447 595 E N -0.647 119.522 120.200 -0.053 0.000 2.629 595 E HA 0.002 4.267 4.350 -0.143 0.000 0.197 595 E C 1.375 177.949 176.600 -0.044 0.000 0.955 595 E CA 0.071 56.446 56.400 -0.040 0.000 1.191 595 E CB 0.301 29.995 29.700 -0.010 0.000 1.175 595 E HN 0.358 nan 8.360 nan 0.000 0.501 596 E N 0.091 120.288 120.200 -0.004 0.000 2.340 596 E HA 0.080 4.345 4.350 -0.143 0.000 0.194 596 E C 0.553 177.163 176.600 0.017 0.000 0.996 596 E CA 0.451 56.864 56.400 0.022 0.000 0.869 596 E CB 0.781 30.523 29.700 0.070 0.000 0.835 596 E HN 0.352 nan 8.360 nan 0.000 0.493 597 G N 1.308 110.077 108.800 -0.052 0.000 2.142 597 G HA2 -0.294 3.581 3.960 -0.143 0.000 0.225 597 G HA3 -0.294 3.581 3.960 -0.143 0.000 0.225 597 G C -0.639 174.380 174.900 0.198 0.000 1.015 597 G CA 0.194 45.204 45.100 -0.150 0.000 0.716 597 G HN 0.285 nan 8.290 nan 0.000 0.508 598 Y N -0.799 119.625 120.300 0.207 0.000 2.409 598 Y HA 0.698 5.162 4.550 -0.143 0.000 0.343 598 Y C -0.606 175.469 175.900 0.291 0.000 0.973 598 Y CA -1.702 56.534 58.100 0.226 0.000 1.064 598 Y CB 1.814 40.338 38.460 0.107 0.000 1.207 598 Y HN 0.323 nan 8.280 nan 0.000 0.452 599 L N 7.517 128.634 121.223 -0.177 0.000 2.388 599 L HA 0.471 4.726 4.340 -0.143 0.000 0.267 599 L C 0.305 177.028 176.870 -0.245 0.000 0.995 599 L CA -0.300 54.460 54.840 -0.133 0.000 0.864 599 L CB 0.737 42.619 42.059 -0.295 0.000 1.216 599 L HN 0.780 nan 8.230 nan 0.000 0.430 600 R N 2.864 123.311 120.500 -0.088 0.000 2.319 600 R HA 0.016 4.270 4.340 -0.143 0.000 0.204 600 R C 0.268 176.403 176.300 -0.275 0.000 0.954 600 R CA -0.459 55.598 56.100 -0.072 0.000 1.066 600 R CB -0.100 30.261 30.300 0.102 0.000 0.991 600 R HN 0.634 nan 8.270 nan 0.000 0.486 601 W N 3.637 124.634 121.300 -0.504 0.000 2.347 601 W HA 0.008 4.582 4.660 -0.142 0.000 0.333 601 W C -0.934 175.499 176.519 -0.142 0.000 1.383 601 W CA 0.157 57.365 57.345 -0.228 0.000 1.283 601 W CB 0.393 29.825 29.460 -0.047 0.000 1.253 601 W HN 0.059 nan 8.180 nan 0.000 0.563 602 D N 3.861 123.899 120.400 -0.603 0.000 2.277 602 D HA 0.098 4.653 4.640 -0.143 0.000 0.249 602 D C 0.141 176.056 176.300 -0.642 0.000 1.134 602 D CA 0.056 53.763 54.000 -0.489 0.000 0.863 602 D CB 1.314 41.873 40.800 -0.403 0.000 1.143 602 D HN 0.263 nan 8.370 nan 0.000 0.458 603 S N 3.098 118.549 115.700 -0.415 0.000 2.614 603 S HA -0.002 4.383 4.470 -0.143 0.000 0.230 603 S C 1.521 175.495 174.600 -1.043 0.000 0.952 603 S CA -0.469 57.468 58.200 -0.437 0.000 0.949 603 S CB 0.075 63.203 63.200 -0.120 0.000 0.786 603 S HN 0.463 nan 8.310 nan 0.000 0.478 604 L N 2.320 123.068 121.223 -0.792 0.000 2.201 604 L HA 0.080 4.334 4.340 -0.143 0.000 0.212 604 L C 2.105 178.759 176.870 -0.361 0.000 1.105 604 L CA 1.422 55.901 54.840 -0.603 0.000 0.775 604 L CB -1.029 40.860 42.059 -0.283 0.000 0.913 604 L HN 0.354 nan 8.230 nan 0.000 0.440 605 G N -0.887 107.728 108.800 -0.309 0.000 2.446 605 G HA2 -0.277 3.598 3.960 -0.143 0.000 0.217 605 G HA3 -0.277 3.598 3.960 -0.143 0.000 0.217 605 G C 1.409 176.259 174.900 -0.082 0.000 1.168 605 G CA 0.924 45.932 45.100 -0.154 0.000 0.771 605 G HN 0.505 nan 8.290 nan 0.000 0.551 606 E N 0.088 120.226 120.200 -0.103 0.000 2.072 606 E HA -0.027 4.238 4.350 -0.143 0.000 0.191 606 E C 2.208 178.876 176.600 0.114 0.000 0.985 606 E CA 0.760 57.185 56.400 0.042 0.000 0.801 606 E CB -0.262 29.519 29.700 0.135 0.000 0.750 606 E HN 0.401 nan 8.360 nan 0.000 0.452 607 F N 0.808 120.754 119.950 -0.008 0.000 2.161 607 F HA -0.153 4.289 4.527 -0.141 0.000 0.300 607 F C 1.962 177.690 175.800 -0.121 0.000 1.089 607 F CA 0.868 58.802 58.000 -0.110 0.000 1.282 607 F CB -0.824 38.093 39.000 -0.138 0.000 1.010 607 F HN 0.026 nan 8.300 nan 0.000 0.485 608 L N -0.682 120.602 121.223 0.101 0.000 2.044 608 L HA -0.088 4.166 4.340 -0.143 0.000 0.205 608 L C 2.737 179.626 176.870 0.031 0.000 1.075 608 L CA 1.131 55.994 54.840 0.038 0.000 0.747 608 L CB -1.292 40.778 42.059 0.018 0.000 0.903 608 L HN 0.113 nan 8.230 nan 0.000 0.435 609 A N 0.398 123.252 122.820 0.056 0.000 1.883 609 A HA -0.254 3.981 4.320 -0.143 0.000 0.217 609 A C 2.227 179.806 177.584 -0.008 0.000 1.186 609 A CA 1.838 53.921 52.037 0.078 0.000 0.624 609 A CB -0.737 18.331 19.000 0.113 0.000 0.822 609 A HN 0.304 nan 8.150 nan 0.000 0.444 610 L N -0.183 121.057 121.223 0.027 0.000 1.961 610 L HA -0.051 4.204 4.340 -0.143 0.000 0.210 610 L C 2.689 179.499 176.870 -0.099 0.000 1.072 610 L CA 2.377 57.210 54.840 -0.012 0.000 0.749 610 L CB -0.979 41.088 42.059 0.013 0.000 0.889 610 L HN 0.350 nan 8.230 nan 0.000 0.432 611 A N -1.094 121.664 122.820 -0.104 0.000 2.245 611 A HA -0.086 4.149 4.320 -0.143 0.000 0.217 611 A C 2.215 179.732 177.584 -0.111 0.000 1.171 611 A CA 1.764 53.732 52.037 -0.115 0.000 0.688 611 A CB -0.948 17.980 19.000 -0.120 0.000 0.781 611 A HN 0.624 nan 8.150 nan 0.000 0.479 612 A N -0.421 122.297 122.820 -0.170 0.000 1.920 612 A HA 0.135 4.370 4.320 -0.143 0.000 0.209 612 A C 2.390 179.583 177.584 -0.652 0.000 1.229 612 A CA 1.443 53.327 52.037 -0.254 0.000 0.671 612 A CB -0.665 18.279 19.000 -0.093 0.000 0.886 612 A HN 0.936 nan 8.150 nan 0.000 0.461 613 S N -0.147 115.003 115.700 -0.918 0.000 2.436 613 S HA 0.066 4.451 4.470 -0.143 0.000 0.228 613 S C 1.821 176.236 174.600 -0.307 0.000 1.014 613 S CA 0.857 58.482 58.200 -0.958 0.000 0.950 613 S CB -0.541 62.234 63.200 -0.708 0.000 0.784 613 S HN 0.378 nan 8.310 nan 0.000 0.504 614 L N 1.134 122.247 121.223 -0.183 0.000 2.191 614 L HA -0.037 4.217 4.340 -0.143 0.000 0.212 614 L C 2.956 179.807 176.870 -0.031 0.000 1.103 614 L CA 1.785 56.592 54.840 -0.054 0.000 0.769 614 L CB -0.390 41.679 42.059 0.015 0.000 0.908 614 L HN 0.538 nan 8.230 nan 0.000 0.438 615 E N -0.428 119.743 120.200 -0.047 0.000 2.033 615 E HA -0.270 3.994 4.350 -0.143 0.000 0.189 615 E C 2.114 178.747 176.600 0.055 0.000 0.979 615 E CA 0.909 57.314 56.400 0.007 0.000 0.802 615 E CB -0.037 29.671 29.700 0.013 0.000 0.763 615 E HN 0.446 nan 8.360 nan 0.000 0.449 616 H N 0.281 119.335 119.070 -0.028 0.000 2.394 616 H HA -0.198 4.273 4.556 -0.142 0.000 0.297 616 H C 1.980 177.370 175.328 0.103 0.000 1.113 616 H CA 1.915 58.017 56.048 0.090 0.000 1.277 616 H CB -0.166 29.710 29.762 0.190 0.000 1.370 616 H HN 0.211 nan 8.280 nan 0.000 0.506 617 L N -0.095 121.189 121.223 0.102 0.000 1.921 617 L HA -0.041 4.213 4.340 -0.143 0.000 0.219 617 L C 2.797 179.689 176.870 0.036 0.000 1.081 617 L CA 2.288 57.126 54.840 -0.004 0.000 0.771 617 L CB -1.396 40.623 42.059 -0.067 0.000 0.888 617 L HN 0.429 nan 8.230 nan 0.000 0.433 618 G N -0.595 108.220 108.800 0.024 0.000 2.545 618 G HA2 -0.391 3.483 3.960 -0.143 0.000 0.222 618 G HA3 -0.391 3.483 3.960 -0.143 0.000 0.222 618 G C 1.511 176.455 174.900 0.073 0.000 1.126 618 G CA 1.250 46.381 45.100 0.051 0.000 0.754 618 G HN 0.523 nan 8.290 nan 0.000 0.583 619 N N 0.938 119.667 118.700 0.047 0.000 2.135 619 N HA -0.025 4.629 4.740 -0.143 0.000 0.186 619 N C 2.436 177.956 175.510 0.016 0.000 1.027 619 N CA 1.237 54.300 53.050 0.023 0.000 0.849 619 N CB -0.434 38.054 38.487 0.001 0.000 1.002 619 N HN 0.307 nan 8.380 nan 0.000 0.425 620 A N -0.690 122.141 122.820 0.019 0.000 2.209 620 A HA 0.045 4.279 4.320 -0.143 0.000 0.212 620 A C 0.110 177.662 177.584 -0.052 0.000 1.158 620 A CA 0.715 52.742 52.037 -0.017 0.000 0.742 620 A CB -0.122 18.846 19.000 -0.054 0.000 0.790 620 A HN 0.202 nan 8.150 nan 0.000 0.472 621 Y N -1.153 119.119 120.300 -0.047 0.000 2.914 621 Y HA 0.417 4.881 4.550 -0.143 0.000 0.315 621 Y C 0.672 176.563 175.900 -0.015 0.000 1.345 621 Y CA -1.177 56.911 58.100 -0.021 0.000 1.121 621 Y CB 0.854 39.309 38.460 -0.009 0.000 1.363 621 Y HN 0.074 nan 8.280 nan 0.000 0.566 622 K N 0.213 120.723 120.400 0.183 0.000 2.827 622 K HA 0.242 4.476 4.320 -0.143 0.000 0.222 622 K C -0.500 176.152 176.600 0.087 0.000 1.114 622 K CA -0.122 56.221 56.287 0.093 0.000 1.206 622 K CB -0.096 32.445 32.500 0.068 0.000 1.035 622 K HN 0.200 nan 8.250 nan 0.000 0.464 623 N N 1.722 120.480 118.700 0.097 0.000 2.558 623 N HA 0.216 4.870 4.740 -0.143 0.000 0.242 623 N C -2.234 173.297 175.510 0.035 0.000 0.979 623 N CA -2.189 50.893 53.050 0.054 0.000 0.931 623 N CB 1.738 40.246 38.487 0.035 0.000 1.122 623 N HN -0.031 nan 8.380 nan 0.000 0.508 624 P HA 0.017 nan 4.420 nan 0.000 0.216 624 P C 0.980 178.285 177.300 0.009 0.000 1.156 624 P CA 1.157 64.267 63.100 0.016 0.000 0.855 624 P CB 0.541 32.248 31.700 0.012 0.000 0.786 625 K N 0.154 120.555 120.400 0.003 0.000 2.107 625 K HA -0.231 4.004 4.320 -0.143 0.000 0.211 625 K C 2.121 178.719 176.600 -0.003 0.000 1.049 625 K CA 1.937 58.219 56.287 -0.009 0.000 0.927 625 K CB -1.061 31.431 32.500 -0.013 0.000 0.714 625 K HN 0.060 nan 8.250 nan 0.000 0.452 626 A N 1.766 124.589 122.820 0.005 0.000 1.865 626 A HA -0.162 4.073 4.320 -0.143 0.000 0.217 626 A C 2.194 179.794 177.584 0.027 0.000 1.191 626 A CA 1.478 53.523 52.037 0.014 0.000 0.623 626 A CB -0.824 18.178 19.000 0.003 0.000 0.826 626 A HN 0.217 nan 8.150 nan 0.000 0.444 627 L N -0.600 120.636 121.223 0.022 0.000 2.261 627 L HA -0.171 4.083 4.340 -0.143 0.000 0.216 627 L C 2.365 179.251 176.870 0.026 0.000 1.114 627 L CA 0.783 55.637 54.840 0.024 0.000 0.777 627 L CB -0.430 41.641 42.059 0.021 0.000 0.910 627 L HN 0.287 nan 8.230 nan 0.000 0.440 628 V N 0.056 119.983 119.914 0.022 0.000 2.426 628 V HA -0.162 3.872 4.120 -0.143 0.000 0.242 628 V C 2.046 178.172 176.094 0.053 0.000 1.036 628 V CA 1.203 63.514 62.300 0.018 0.000 1.044 628 V CB -0.044 31.771 31.823 -0.013 0.000 0.688 628 V HN 0.417 nan 8.190 nan 0.000 0.462 629 L N 0.220 121.479 121.223 0.061 0.000 2.465 629 L HA 0.227 4.481 4.340 -0.143 0.000 0.224 629 L C 1.994 179.083 176.870 0.364 0.000 1.145 629 L CA 1.920 56.867 54.840 0.179 0.000 0.834 629 L CB -1.673 40.414 42.059 0.048 0.000 0.944 629 L HN 0.127 nan 8.230 nan 0.000 0.451 630 A N -0.741 122.181 122.820 0.171 0.000 1.973 630 A HA 0.035 4.270 4.320 -0.143 0.000 0.210 630 A C 2.418 180.023 177.584 0.036 0.000 1.200 630 A CA 0.903 52.994 52.037 0.089 0.000 0.707 630 A CB -0.606 18.416 19.000 0.037 0.000 0.862 630 A HN 0.402 nan 8.150 nan 0.000 0.461 631 S N 0.195 115.924 115.700 0.048 0.000 2.382 631 S HA -0.165 4.220 4.470 -0.143 0.000 0.228 631 S C 2.217 176.831 174.600 0.023 0.000 1.027 631 S CA 2.581 60.795 58.200 0.023 0.000 0.991 631 S CB -0.589 62.626 63.200 0.024 0.000 0.823 631 S HN 0.787 nan 8.310 nan 0.000 0.469 632 T N 0.386 114.991 114.554 0.085 0.000 2.770 632 T HA -0.008 4.257 4.350 -0.143 0.000 0.258 632 T C 1.822 176.510 174.700 -0.021 0.000 1.039 632 T CA 1.145 63.315 62.100 0.116 0.000 1.143 632 T CB -0.935 68.096 68.868 0.271 0.000 0.866 632 T HN 0.278 nan 8.240 nan 0.000 0.428 633 L N 2.353 123.499 121.223 -0.129 0.000 2.021 633 L HA -0.166 4.088 4.340 -0.143 0.000 0.215 633 L C 2.046 178.651 176.870 -0.441 0.000 1.074 633 L CA 2.138 56.499 54.840 -0.799 0.000 0.760 633 L CB -1.347 40.199 42.059 -0.854 0.000 0.889 633 L HN 0.204 nan 8.230 nan 0.000 0.433 634 D N -0.783 119.482 120.400 -0.225 0.000 2.133 634 D HA -0.295 4.259 4.640 -0.143 0.000 0.192 634 D C 2.051 178.269 176.300 -0.136 0.000 1.001 634 D CA 1.843 55.757 54.000 -0.144 0.000 0.844 634 D CB -0.022 40.734 40.800 -0.074 0.000 0.944 634 D HN 0.648 nan 8.370 nan 0.000 0.447 635 Q N 0.156 119.885 119.800 -0.118 0.000 1.990 635 Q HA -0.110 4.145 4.340 -0.143 0.000 0.200 635 Q C 2.177 178.108 176.000 -0.116 0.000 0.980 635 Q CA 1.592 57.340 55.803 -0.091 0.000 0.832 635 Q CB -0.153 28.556 28.738 -0.049 0.000 0.897 635 Q HN 0.180 nan 8.270 nan 0.000 0.427 636 A N 0.198 122.935 122.820 -0.139 0.000 1.958 636 A HA -0.255 3.979 4.320 -0.143 0.000 0.221 636 A C 2.198 179.706 177.584 -0.126 0.000 1.178 636 A CA 2.191 54.172 52.037 -0.094 0.000 0.642 636 A CB -1.191 17.721 19.000 -0.145 0.000 0.816 636 A HN 0.582 nan 8.150 nan 0.000 0.453 637 T N -0.234 114.182 114.554 -0.231 0.000 2.622 637 T HA -0.064 4.201 4.350 -0.143 0.000 0.266 637 T C 2.070 176.718 174.700 -0.088 0.000 1.047 637 T CA 1.653 63.647 62.100 -0.177 0.000 1.159 637 T CB -1.026 67.762 68.868 -0.132 0.000 0.863 637 T HN 0.630 nan 8.240 nan 0.000 0.422 638 G N 2.374 111.123 108.800 -0.085 0.000 2.574 638 G HA2 -0.324 3.551 3.960 -0.143 0.000 0.220 638 G HA3 -0.324 3.551 3.960 -0.143 0.000 0.220 638 G C 1.567 176.429 174.900 -0.063 0.000 1.173 638 G CA 0.988 46.051 45.100 -0.062 0.000 0.772 638 G HN 0.386 nan 8.290 nan 0.000 0.585 639 K N -0.091 120.253 120.400 -0.093 0.000 2.360 639 K HA 0.015 4.250 4.320 -0.143 0.000 0.201 639 K C 2.305 178.933 176.600 0.047 0.000 1.046 639 K CA 0.334 56.528 56.287 -0.155 0.000 0.940 639 K CB -0.169 32.026 32.500 -0.509 0.000 0.748 639 K HN 0.291 nan 8.250 nan 0.000 0.465 640 I N 1.065 121.681 120.570 0.077 0.000 2.233 640 I HA -0.198 3.886 4.170 -0.143 0.000 0.243 640 I C 2.127 178.202 176.117 -0.070 0.000 1.093 640 I CA 1.196 62.528 61.300 0.053 0.000 1.380 640 I CB -0.612 37.389 38.000 0.001 0.000 1.067 640 I HN 0.103 nan 8.210 nan 0.000 0.413 641 L N -0.077 121.065 121.223 -0.135 0.000 2.291 641 L HA -0.144 4.110 4.340 -0.143 0.000 0.214 641 L C 1.664 178.542 176.870 0.014 0.000 1.120 641 L CA 0.802 55.491 54.840 -0.252 0.000 0.799 641 L CB -0.529 41.377 42.059 -0.255 0.000 0.925 641 L HN 0.160 nan 8.230 nan 0.000 0.446 642 D N -0.395 120.017 120.400 0.020 0.000 2.271 642 D HA -0.056 4.499 4.640 -0.143 0.000 0.206 642 D C 1.393 177.726 176.300 0.054 0.000 0.967 642 D CA 0.724 54.758 54.000 0.058 0.000 0.867 642 D CB 0.061 40.868 40.800 0.010 0.000 0.960 642 D HN 0.199 nan 8.370 nan 0.000 0.509 643 N N 0.414 119.132 118.700 0.031 0.000 2.187 643 N HA 0.022 4.676 4.740 -0.143 0.000 0.212 643 N C -0.405 175.103 175.510 -0.003 0.000 1.152 643 N CA -0.056 53.016 53.050 0.036 0.000 0.872 643 N CB 0.379 38.908 38.487 0.071 0.000 1.025 643 N HN -0.031 nan 8.380 nan 0.000 0.514 644 N N 1.026 119.714 118.700 -0.021 0.000 2.727 644 N HA -0.154 4.501 4.740 -0.143 0.000 0.251 644 N C -0.581 174.872 175.510 -0.095 0.000 1.040 644 N CA 0.439 53.463 53.050 -0.044 0.000 0.712 644 N CB -0.348 38.135 38.487 -0.007 0.000 0.912 644 N HN 0.011 nan 8.380 nan 0.000 0.545 645 K N -0.245 120.061 120.400 -0.156 0.000 2.684 645 K HA 0.238 4.472 4.320 -0.143 0.000 0.215 645 K C -0.215 176.313 176.600 -0.121 0.000 1.073 645 K CA 0.047 56.168 56.287 -0.277 0.000 1.197 645 K CB 0.291 32.463 32.500 -0.547 0.000 0.955 645 K HN 0.183 nan 8.250 nan 0.000 0.473 646 S N 1.896 117.549 115.700 -0.078 0.000 2.565 646 S HA 0.414 4.799 4.470 -0.143 0.000 0.290 646 S C -2.520 172.076 174.600 -0.006 0.000 1.150 646 S CA -1.324 56.846 58.200 -0.050 0.000 1.058 646 S CB 1.391 64.528 63.200 -0.105 0.000 1.032 646 S HN 0.039 nan 8.310 nan 0.000 0.510 647 P HA 0.052 nan 4.420 nan 0.000 0.259 647 P C -0.472 176.893 177.300 0.109 0.000 1.163 647 P CA 0.288 63.409 63.100 0.035 0.000 0.760 647 P CB 0.183 31.869 31.700 -0.024 0.000 0.762 648 A N 4.873 127.814 122.820 0.202 0.000 2.445 648 A HA 0.327 4.562 4.320 -0.143 0.000 0.270 648 A C 1.433 179.134 177.584 0.195 0.000 1.495 648 A CA 0.183 52.327 52.037 0.179 0.000 0.840 648 A CB 0.420 19.519 19.000 0.166 0.000 1.472 648 A HN 0.413 nan 8.150 nan 0.000 0.541 649 R N -1.300 119.229 120.500 0.047 0.000 2.194 649 R HA 0.239 4.494 4.340 -0.143 0.000 0.194 649 R C 0.211 176.288 176.300 -0.371 0.000 0.985 649 R CA 0.415 56.490 56.100 -0.042 0.000 1.104 649 R CB -0.168 30.129 30.300 -0.004 0.000 1.092 649 R HN 0.501 nan 8.270 nan 0.000 0.555 650 K N 1.369 121.533 120.400 -0.393 0.000 2.166 650 K HA 0.288 4.523 4.320 -0.143 0.000 0.245 650 K C -0.264 175.941 176.600 -0.659 0.000 0.967 650 K CA -0.750 55.232 56.287 -0.508 0.000 0.863 650 K CB 2.010 34.378 32.500 -0.221 0.000 1.107 650 K HN -0.239 nan 8.250 nan 0.000 0.436 651 V N 1.817 121.422 119.914 -0.514 0.000 2.953 651 V HA 0.129 4.164 4.120 -0.143 0.000 0.304 651 V C 1.578 177.657 176.094 -0.024 0.000 1.138 651 V CA 1.752 63.952 62.300 -0.166 0.000 1.266 651 V CB 0.243 32.051 31.823 -0.025 0.000 0.923 651 V HN 1.124 nan 8.190 nan 0.000 0.505 652 G N 3.342 112.211 108.800 0.115 0.000 2.698 652 G HA2 -0.122 3.753 3.960 -0.143 0.000 0.200 652 G HA3 -0.122 3.753 3.960 -0.143 0.000 0.200 652 G C -0.090 174.892 174.900 0.135 0.000 2.083 652 G CA -0.120 45.035 45.100 0.093 0.000 1.629 652 G HN 0.651 nan 8.290 nan 0.000 0.565 653 E N 0.666 120.954 120.200 0.148 0.000 2.134 653 E HA 0.598 4.863 4.350 -0.143 0.000 0.278 653 E C 0.585 177.310 176.600 0.208 0.000 0.959 653 E CA -0.458 56.033 56.400 0.151 0.000 0.783 653 E CB 2.191 31.952 29.700 0.101 0.000 1.095 653 E HN 0.530 nan 8.360 nan 0.000 0.399 654 I N 1.921 122.586 120.570 0.158 0.000 3.992 654 I HA -0.441 3.644 4.170 -0.143 0.000 0.132 654 I C 0.670 176.809 176.117 0.037 0.000 0.376 654 I CA 1.847 63.221 61.300 0.123 0.000 1.243 654 I CB -1.448 36.611 38.000 0.099 0.000 1.098 654 I HN 0.948 nan 8.210 nan 0.000 0.198 655 D N -1.409 118.938 120.400 -0.088 0.000 3.251 655 D HA -0.324 4.231 4.640 -0.143 0.000 0.206 655 D C 0.968 177.119 176.300 -0.248 0.000 1.534 655 D CA 2.250 55.976 54.000 -0.457 0.000 1.032 655 D CB -0.663 39.923 40.800 -0.358 0.000 0.650 655 D HN 0.484 nan 8.370 nan 0.000 0.735 656 N N -1.172 117.388 118.700 -0.233 0.000 2.513 656 N HA 0.148 4.803 4.740 -0.143 0.000 0.196 656 N C 1.319 176.696 175.510 -0.221 0.000 1.041 656 N CA 0.433 53.339 53.050 -0.241 0.000 0.916 656 N CB 0.072 38.431 38.487 -0.213 0.000 1.172 656 N HN 0.239 nan 8.380 nan 0.000 0.444 657 R N 0.382 120.891 120.500 0.015 0.000 2.293 657 R HA 0.003 4.258 4.340 -0.143 0.000 0.219 657 R C 1.497 177.956 176.300 0.265 0.000 1.091 657 R CA 0.917 57.173 56.100 0.261 0.000 1.004 657 R CB -0.501 29.982 30.300 0.304 0.000 0.865 657 R HN 0.336 nan 8.270 nan 0.000 0.469 658 G N -0.153 108.737 108.800 0.149 0.000 2.404 658 G HA2 -0.279 3.595 3.960 -0.143 0.000 0.215 658 G HA3 -0.279 3.595 3.960 -0.143 0.000 0.215 658 G C 1.504 176.630 174.900 0.376 0.000 1.174 658 G CA 0.899 46.135 45.100 0.226 0.000 0.780 658 G HN 0.497 nan 8.290 nan 0.000 0.537 659 S N 0.176 116.004 115.700 0.213 0.000 2.345 659 S HA -0.146 4.239 4.470 -0.143 0.000 0.219 659 S C 2.153 176.908 174.600 0.258 0.000 1.031 659 S CA 1.453 59.786 58.200 0.222 0.000 0.984 659 S CB -0.824 62.438 63.200 0.103 0.000 0.874 659 S HN 0.401 nan 8.310 nan 0.000 0.451 660 H N 0.878 120.122 119.070 0.289 0.000 2.431 660 H HA -0.089 4.381 4.556 -0.143 0.000 0.297 660 H C 1.799 177.259 175.328 0.219 0.000 1.115 660 H CA 1.533 57.740 56.048 0.265 0.000 1.277 660 H CB -0.875 29.058 29.762 0.286 0.000 1.372 660 H HN 0.643 nan 8.280 nan 0.000 0.516 661 F N 0.660 120.740 119.950 0.217 0.000 2.084 661 F HA -0.198 4.243 4.527 -0.143 0.000 0.296 661 F C 2.109 177.737 175.800 -0.288 0.000 1.111 661 F CA 1.094 59.025 58.000 -0.114 0.000 1.224 661 F CB -0.957 37.772 39.000 -0.453 0.000 0.991 661 F HN -0.028 nan 8.300 nan 0.000 0.471 662 Y N 0.147 120.036 120.300 -0.686 0.000 2.207 662 Y HA -0.217 4.247 4.550 -0.143 0.000 0.287 662 Y C 2.355 177.796 175.900 -0.765 0.000 1.156 662 Y CA 1.617 59.098 58.100 -1.031 0.000 1.182 662 Y CB -0.903 37.104 38.460 -0.754 0.000 0.979 662 Y HN 0.254 nan 8.280 nan 0.000 0.521 663 L N 0.294 121.331 121.223 -0.312 0.000 1.989 663 L HA -0.243 4.011 4.340 -0.143 0.000 0.211 663 L C 2.453 179.208 176.870 -0.192 0.000 1.071 663 L CA 2.169 56.791 54.840 -0.365 0.000 0.749 663 L CB -1.155 40.567 42.059 -0.562 0.000 0.890 663 L HN 0.152 nan 8.230 nan 0.000 0.431 664 A N -0.688 122.072 122.820 -0.100 0.000 1.917 664 A HA -0.227 4.007 4.320 -0.143 0.000 0.219 664 A C 2.222 179.888 177.584 0.138 0.000 1.182 664 A CA 2.166 54.288 52.037 0.142 0.000 0.633 664 A CB -1.124 18.140 19.000 0.439 0.000 0.819 664 A HN 0.555 nan 8.150 nan 0.000 0.448 665 L N -0.983 120.031 121.223 -0.348 0.000 1.948 665 L HA -0.132 4.122 4.340 -0.143 0.000 0.212 665 L C 2.330 179.226 176.870 0.042 0.000 1.074 665 L CA 2.032 56.655 54.840 -0.362 0.000 0.753 665 L CB -1.350 40.081 42.059 -1.046 0.000 0.888 665 L HN 0.531 nan 8.230 nan 0.000 0.432 666 Y N -2.459 117.800 120.300 -0.069 0.000 2.315 666 Y HA -0.323 4.141 4.550 -0.142 0.000 0.288 666 Y C 2.330 178.311 175.900 0.135 0.000 1.154 666 Y CA 0.575 58.685 58.100 0.018 0.000 1.229 666 Y CB -0.342 38.098 38.460 -0.033 0.000 0.980 666 Y HN 0.447 nan 8.280 nan 0.000 0.540 667 W N 0.654 122.022 121.300 0.113 0.000 2.441 667 W HA -0.080 4.494 4.660 -0.143 0.000 0.302 667 W C 2.499 179.188 176.519 0.284 0.000 1.191 667 W CA 1.342 58.760 57.345 0.121 0.000 1.327 667 W CB -0.896 28.538 29.460 -0.042 0.000 1.128 667 W HN -0.032 nan 8.180 nan 0.000 0.522 668 A N 0.499 123.705 122.820 0.644 0.000 1.873 668 A HA -0.296 3.938 4.320 -0.143 0.000 0.218 668 A C 1.958 179.711 177.584 0.282 0.000 1.193 668 A CA 2.297 54.624 52.037 0.483 0.000 0.629 668 A CB -1.002 18.231 19.000 0.388 0.000 0.826 668 A HN 0.512 nan 8.150 nan 0.000 0.447 669 Q N -0.773 119.173 119.800 0.244 0.000 2.020 669 Q HA -0.144 4.110 4.340 -0.143 0.000 0.202 669 Q C 2.468 178.546 176.000 0.130 0.000 0.982 669 Q CA 1.428 57.330 55.803 0.166 0.000 0.838 669 Q CB -0.478 28.357 28.738 0.161 0.000 0.899 669 Q HN 0.676 nan 8.270 nan 0.000 0.423 670 A N 1.047 123.963 122.820 0.160 0.000 1.986 670 A HA -0.195 4.039 4.320 -0.143 0.000 0.220 670 A C 2.077 179.706 177.584 0.075 0.000 1.171 670 A CA 1.353 53.461 52.037 0.118 0.000 0.640 670 A CB -0.643 18.457 19.000 0.166 0.000 0.811 670 A HN 0.276 nan 8.150 nan 0.000 0.451 671 L N -1.383 119.865 121.223 0.041 0.000 2.084 671 L HA -0.015 4.240 4.340 -0.143 0.000 0.202 671 L C 2.678 179.522 176.870 -0.043 0.000 1.074 671 L CA 0.848 55.628 54.840 -0.099 0.000 0.757 671 L CB -0.475 41.310 42.059 -0.456 0.000 0.918 671 L HN 0.357 nan 8.230 nan 0.000 0.444 672 A N -0.265 122.571 122.820 0.027 0.000 2.247 672 A HA 0.264 4.499 4.320 -0.143 0.000 0.205 672 A C 1.484 179.093 177.584 0.042 0.000 1.261 672 A CA 1.081 53.154 52.037 0.060 0.000 0.853 672 A CB -0.597 18.467 19.000 0.106 0.000 0.793 672 A HN 0.409 nan 8.150 nan 0.000 0.487 673 A N -0.923 121.915 122.820 0.030 0.000 2.635 673 A HA 0.457 4.691 4.320 -0.143 0.000 0.279 673 A C 0.473 178.065 177.584 0.014 0.000 1.122 673 A CA 0.097 52.149 52.037 0.025 0.000 0.965 673 A CB 0.166 19.185 19.000 0.031 0.000 1.221 673 A HN 0.562 nan 8.150 nan 0.000 0.566 674 Q N -1.292 118.512 119.800 0.006 0.000 2.385 674 Q HA 0.732 4.987 4.340 -0.143 0.000 0.262 674 Q C 0.142 176.141 176.000 -0.002 0.000 1.050 674 Q CA 0.112 55.915 55.803 0.001 0.000 0.903 674 Q CB 0.488 29.224 28.738 -0.004 0.000 1.325 674 Q HN 0.197 nan 8.270 nan 0.000 0.485 675 T N -4.735 109.818 114.554 -0.003 0.000 3.403 675 T HA 0.251 4.515 4.350 -0.143 0.000 0.308 675 T C 0.360 175.057 174.700 -0.004 0.000 0.952 675 T CA -0.418 61.680 62.100 -0.002 0.000 0.970 675 T CB 0.112 68.980 68.868 0.000 0.000 1.189 675 T HN 0.431 nan 8.240 nan 0.000 0.528 676 E N 2.044 122.240 120.200 -0.006 0.000 2.150 676 E HA -0.018 4.247 4.350 -0.143 0.000 0.193 676 E C 0.203 176.799 176.600 -0.007 0.000 0.985 676 E CA 1.006 57.403 56.400 -0.005 0.000 0.814 676 E CB 0.137 29.834 29.700 -0.004 0.000 0.752 676 E HN 0.611 nan 8.360 nan 0.000 0.466 677 D N -0.134 120.258 120.400 -0.013 0.000 2.336 677 D HA 0.031 4.585 4.640 -0.143 0.000 0.248 677 D C 0.681 176.973 176.300 -0.014 0.000 1.326 677 D CA -0.163 53.828 54.000 -0.015 0.000 0.973 677 D CB 0.900 41.686 40.800 -0.023 0.000 1.255 677 D HN -0.144 nan 8.370 nan 0.000 0.558 678 K N 2.791 123.187 120.400 -0.007 0.000 2.103 678 K HA -0.201 4.034 4.320 -0.143 0.000 0.207 678 K C 1.383 177.983 176.600 -0.000 0.000 1.048 678 K CA 1.277 57.562 56.287 -0.003 0.000 0.930 678 K CB 0.282 32.782 32.500 -0.001 0.000 0.716 678 K HN 0.441 nan 8.250 nan 0.000 0.444 679 E N 0.240 120.439 120.200 -0.002 0.000 2.012 679 E HA -0.225 4.039 4.350 -0.143 0.000 0.197 679 E C 2.026 178.634 176.600 0.014 0.000 1.007 679 E CA 1.586 57.987 56.400 0.002 0.000 0.816 679 E CB -0.067 29.632 29.700 -0.001 0.000 0.762 679 E HN 0.188 nan 8.360 nan 0.000 0.451 680 L N 1.169 122.393 121.223 0.001 0.000 1.990 680 L HA -0.289 3.965 4.340 -0.143 0.000 0.213 680 L C 2.698 179.591 176.870 0.038 0.000 1.072 680 L CA 2.158 57.000 54.840 0.004 0.000 0.755 680 L CB -1.040 40.951 42.059 -0.114 0.000 0.889 680 L HN 0.307 nan 8.230 nan 0.000 0.432 681 Q N -0.744 119.056 119.800 0.001 0.000 2.173 681 Q HA -0.298 3.956 4.340 -0.143 0.000 0.208 681 Q C 2.073 178.102 176.000 0.048 0.000 0.989 681 Q CA 2.272 58.087 55.803 0.020 0.000 0.872 681 Q CB -0.111 28.631 28.738 0.006 0.000 0.909 681 Q HN 0.535 nan 8.270 nan 0.000 0.420 682 A N 1.167 124.008 122.820 0.035 0.000 1.874 682 A HA -0.166 4.068 4.320 -0.143 0.000 0.214 682 A C 1.642 179.238 177.584 0.020 0.000 1.189 682 A CA 1.215 53.266 52.037 0.022 0.000 0.615 682 A CB -0.419 18.585 19.000 0.007 0.000 0.830 682 A HN 0.674 nan 8.150 nan 0.000 0.443 683 Q N -2.593 117.228 119.800 0.036 0.000 2.414 683 Q HA 0.424 4.678 4.340 -0.143 0.000 0.286 683 Q C -0.285 175.694 176.000 -0.035 0.000 0.941 683 Q CA 0.067 55.861 55.803 -0.015 0.000 0.951 683 Q CB -0.295 28.431 28.738 -0.021 0.000 1.188 683 Q HN 0.495 nan 8.270 nan 0.000 0.418 684 F N -0.945 118.921 119.950 -0.140 0.000 3.064 684 F HA 0.027 4.469 4.527 -0.143 0.000 0.384 684 F C 1.708 177.439 175.800 -0.115 0.000 1.083 684 F CA 0.582 58.473 58.000 -0.181 0.000 1.037 684 F CB 0.749 39.620 39.000 -0.214 0.000 1.322 684 F HN 0.269 nan 8.300 nan 0.000 0.535 685 T N -2.508 112.075 114.554 0.049 0.000 2.812 685 T HA -0.016 4.248 4.350 -0.143 0.000 0.264 685 T C 2.386 177.077 174.700 -0.014 0.000 1.042 685 T CA 1.303 63.420 62.100 0.030 0.000 1.140 685 T CB -1.063 67.817 68.868 0.021 0.000 0.870 685 T HN 0.225 nan 8.240 nan 0.000 0.445 686 G N 1.606 110.371 108.800 -0.058 0.000 2.507 686 G HA2 -0.134 3.741 3.960 -0.143 0.000 0.221 686 G HA3 -0.134 3.741 3.960 -0.143 0.000 0.221 686 G C 1.477 176.332 174.900 -0.076 0.000 1.119 686 G CA 1.088 46.145 45.100 -0.072 0.000 0.751 686 G HN 0.594 nan 8.290 nan 0.000 0.574 687 I N 0.611 121.110 120.570 -0.118 0.000 2.368 687 I HA 0.052 4.136 4.170 -0.143 0.000 0.238 687 I C 3.264 179.385 176.117 0.006 0.000 1.076 687 I CA 0.636 61.880 61.300 -0.093 0.000 1.397 687 I CB -0.667 37.187 38.000 -0.242 0.000 1.141 687 I HN 0.202 nan 8.210 nan 0.000 0.430 688 A N 0.916 123.762 122.820 0.043 0.000 1.923 688 A HA -0.311 3.923 4.320 -0.143 0.000 0.222 688 A C 1.926 179.551 177.584 0.068 0.000 1.258 688 A CA 1.985 54.076 52.037 0.091 0.000 0.670 688 A CB -0.718 18.345 19.000 0.104 0.000 0.834 688 A HN 0.373 nan 8.150 nan 0.000 0.470 689 K N -0.776 119.651 120.400 0.044 0.000 2.758 689 K HA 0.470 4.704 4.320 -0.143 0.000 0.250 689 K C 0.199 176.818 176.600 0.032 0.000 1.268 689 K CA 0.490 56.800 56.287 0.040 0.000 1.228 689 K CB -0.297 32.221 32.500 0.029 0.000 1.715 689 K HN 0.441 nan 8.250 nan 0.000 0.334 690 A N 1.567 124.414 122.820 0.044 0.000 1.784 690 A HA 0.057 4.292 4.320 -0.143 0.000 0.185 690 A C 0.932 178.555 177.584 0.065 0.000 1.964 690 A CA -0.294 51.769 52.037 0.043 0.000 1.540 690 A CB 0.152 19.173 19.000 0.034 0.000 1.588 690 A HN 0.348 nan 8.150 nan 0.000 0.320 691 L N 1.047 122.322 121.223 0.086 0.000 2.313 691 L HA 0.023 4.277 4.340 -0.143 0.000 0.214 691 L C 2.156 179.101 176.870 0.125 0.000 1.119 691 L CA 2.138 57.050 54.840 0.121 0.000 0.809 691 L CB -1.497 40.615 42.059 0.088 0.000 0.933 691 L HN 0.425 nan 8.230 nan 0.000 0.449 692 T N -0.567 114.042 114.554 0.092 0.000 2.894 692 T HA -0.079 4.186 4.350 -0.143 0.000 0.258 692 T C 1.382 176.126 174.700 0.072 0.000 1.043 692 T CA 1.051 63.210 62.100 0.098 0.000 1.141 692 T CB -0.044 68.878 68.868 0.090 0.000 0.873 692 T HN 0.272 nan 8.240 nan 0.000 0.449 693 D N 1.918 122.350 120.400 0.052 0.000 2.149 693 D HA -0.067 4.487 4.640 -0.143 0.000 0.198 693 D C 1.274 177.582 176.300 0.012 0.000 0.990 693 D CA 0.963 54.982 54.000 0.032 0.000 0.839 693 D CB -0.298 40.518 40.800 0.027 0.000 0.948 693 D HN 0.318 nan 8.370 nan 0.000 0.460 694 N N -0.266 118.436 118.700 0.002 0.000 2.235 694 N HA 0.063 4.718 4.740 -0.143 0.000 0.209 694 N C 1.010 176.439 175.510 -0.135 0.000 1.122 694 N CA -0.100 52.921 53.050 -0.048 0.000 0.845 694 N CB 0.418 38.882 38.487 -0.038 0.000 1.004 694 N HN 0.276 nan 8.380 nan 0.000 0.499 695 E N 0.840 120.991 120.200 -0.082 0.000 2.021 695 E HA -0.249 4.016 4.350 -0.143 0.000 0.200 695 E C 1.145 177.597 176.600 -0.248 0.000 1.015 695 E CA 2.297 58.591 56.400 -0.178 0.000 0.824 695 E CB -0.160 29.585 29.700 0.076 0.000 0.762 695 E HN 0.354 nan 8.360 nan 0.000 0.454 696 T N 0.036 114.534 114.554 -0.092 0.000 2.699 696 T HA -0.259 4.005 4.350 -0.143 0.000 0.268 696 T C 1.908 176.545 174.700 -0.105 0.000 1.036 696 T CA 1.779 63.839 62.100 -0.066 0.000 1.147 696 T CB -0.378 68.480 68.868 -0.015 0.000 0.862 696 T HN 0.209 nan 8.240 nan 0.000 0.446 697 K N 0.902 121.233 120.400 -0.115 0.000 1.991 697 K HA 0.033 4.267 4.320 -0.143 0.000 0.207 697 K C 2.423 178.924 176.600 -0.165 0.000 1.045 697 K CA 1.031 57.254 56.287 -0.106 0.000 0.937 697 K CB -0.349 32.105 32.500 -0.076 0.000 0.720 697 K HN 0.321 nan 8.250 nan 0.000 0.438 698 I N 1.067 121.473 120.570 -0.274 0.000 2.087 698 I HA -0.358 3.726 4.170 -0.143 0.000 0.240 698 I C 2.291 178.175 176.117 -0.389 0.000 1.054 698 I CA 1.460 62.530 61.300 -0.384 0.000 1.311 698 I CB -0.368 37.185 38.000 -0.745 0.000 1.024 698 I HN 0.058 nan 8.210 nan 0.000 0.402 699 V N 1.147 120.760 119.914 -0.502 0.000 2.277 699 V HA -0.341 3.693 4.120 -0.143 0.000 0.253 699 V C 2.536 178.548 176.094 -0.137 0.000 1.067 699 V CA 2.412 64.531 62.300 -0.302 0.000 1.047 699 V CB -1.643 30.074 31.823 -0.176 0.000 0.649 699 V HN 0.665 nan 8.190 nan 0.000 0.447 700 G N -0.844 107.887 108.800 -0.114 0.000 2.446 700 G HA2 -0.241 3.634 3.960 -0.143 0.000 0.217 700 G HA3 -0.241 3.634 3.960 -0.143 0.000 0.217 700 G C 1.434 176.308 174.900 -0.044 0.000 1.168 700 G CA 0.894 45.961 45.100 -0.056 0.000 0.771 700 G HN 0.585 nan 8.290 nan 0.000 0.551 701 E N 0.125 120.288 120.200 -0.061 0.000 2.118 701 E HA -0.093 4.171 4.350 -0.143 0.000 0.195 701 E C 2.593 179.188 176.600 -0.009 0.000 0.992 701 E CA 0.611 56.993 56.400 -0.030 0.000 0.804 701 E CB -0.183 29.500 29.700 -0.028 0.000 0.741 701 E HN 0.423 nan 8.360 nan 0.000 0.458 702 L N 0.464 121.672 121.223 -0.024 0.000 1.973 702 L HA -0.122 4.133 4.340 -0.143 0.000 0.208 702 L C 2.639 179.526 176.870 0.029 0.000 1.073 702 L CA 1.027 55.875 54.840 0.013 0.000 0.746 702 L CB -0.608 41.452 42.059 0.001 0.000 0.891 702 L HN 0.100 nan 8.230 nan 0.000 0.433 703 A N 0.145 122.979 122.820 0.023 0.000 2.131 703 A HA -0.107 4.127 4.320 -0.143 0.000 0.220 703 A C 2.092 179.702 177.584 0.043 0.000 1.158 703 A CA 1.369 53.435 52.037 0.049 0.000 0.665 703 A CB -0.649 18.381 19.000 0.051 0.000 0.795 703 A HN 0.425 nan 8.150 nan 0.000 0.460 704 A N -1.295 121.541 122.820 0.025 0.000 2.268 704 A HA 0.502 4.736 4.320 -0.143 0.000 0.221 704 A C 1.318 178.916 177.584 0.023 0.000 1.287 704 A CA 0.951 53.000 52.037 0.020 0.000 0.902 704 A CB -0.678 18.327 19.000 0.009 0.000 0.877 704 A HN 1.158 nan 8.150 nan 0.000 0.487 705 A N -1.297 121.544 122.820 0.035 0.000 2.671 705 A HA 0.335 4.569 4.320 -0.143 0.000 0.265 705 A C 0.459 178.065 177.584 0.037 0.000 1.148 705 A CA -0.235 51.820 52.037 0.030 0.000 0.977 705 A CB 0.220 19.246 19.000 0.043 0.000 1.242 705 A HN 0.491 nan 8.150 nan 0.000 0.591 706 Q N -1.111 118.726 119.800 0.062 0.000 2.227 706 Q HA 0.509 4.763 4.340 -0.143 0.000 0.245 706 Q C 1.088 177.126 176.000 0.062 0.000 0.926 706 Q CA 0.367 56.229 55.803 0.098 0.000 0.895 706 Q CB 1.454 30.294 28.738 0.171 0.000 1.230 706 Q HN 0.771 nan 8.270 nan 0.000 0.450 707 G N 1.620 110.455 108.800 0.058 0.000 2.659 707 G HA2 -0.240 3.634 3.960 -0.143 0.000 0.212 707 G HA3 -0.240 3.634 3.960 -0.143 0.000 0.212 707 G C -0.049 174.847 174.900 -0.006 0.000 1.226 707 G CA -0.320 44.794 45.100 0.024 0.000 0.739 707 G HN 0.460 nan 8.290 nan 0.000 0.528 708 K N 1.877 122.264 120.400 -0.020 0.000 2.180 708 K HA 0.478 4.712 4.320 -0.143 0.000 0.251 708 K C -2.457 174.097 176.600 -0.076 0.000 1.014 708 K CA -1.242 55.020 56.287 -0.042 0.000 0.913 708 K CB 0.614 33.089 32.500 -0.042 0.000 1.008 708 K HN 0.187 nan 8.250 nan 0.000 0.490 709 P HA 0.185 nan 4.420 nan 0.000 0.278 709 P C -1.033 176.171 177.300 -0.160 0.000 1.258 709 P CA -0.533 62.500 63.100 -0.112 0.000 0.811 709 P CB 0.842 32.496 31.700 -0.077 0.000 1.063 710 V N 0.981 120.763 119.914 -0.220 0.000 2.769 710 V HA 0.463 4.497 4.120 -0.143 0.000 0.312 710 V C -0.717 175.287 176.094 -0.150 0.000 1.061 710 V CA -0.216 61.932 62.300 -0.253 0.000 0.931 710 V CB 1.990 33.490 31.823 -0.537 0.000 1.010 710 V HN 0.537 nan 8.190 nan 0.000 0.433 711 D N 2.889 123.227 120.400 -0.103 0.000 2.620 711 D HA 0.443 4.997 4.640 -0.143 0.000 0.252 711 D C 0.158 176.436 176.300 -0.036 0.000 1.207 711 D CA -0.437 53.531 54.000 -0.053 0.000 0.884 711 D CB 1.297 42.071 40.800 -0.043 0.000 1.262 711 D HN 0.526 nan 8.370 nan 0.000 0.552 712 I N 1.271 121.836 120.570 -0.009 0.000 3.816 712 I HA 0.569 4.653 4.170 -0.143 0.000 0.334 712 I C 0.921 177.049 176.117 0.017 0.000 1.551 712 I CA -0.506 60.793 61.300 -0.002 0.000 1.153 712 I CB 0.391 38.392 38.000 0.003 0.000 1.197 712 I HN 0.427 nan 8.210 nan 0.000 0.439 713 A N 0.659 123.491 122.820 0.019 0.000 2.829 713 A HA -0.042 4.192 4.320 -0.143 0.000 0.267 713 A C 0.878 178.527 177.584 0.108 0.000 1.370 713 A CA 1.154 53.212 52.037 0.034 0.000 0.900 713 A CB -2.014 16.977 19.000 -0.016 0.000 1.044 713 A HN 1.292 nan 8.150 nan 0.000 0.691 714 G N -4.338 104.536 108.800 0.123 0.000 2.393 714 G HA2 0.546 4.421 3.960 -0.143 0.000 0.264 714 G HA3 0.546 4.421 3.960 -0.143 0.000 0.264 714 G C -0.303 174.710 174.900 0.187 0.000 1.221 714 G CA 0.501 45.712 45.100 0.185 0.000 0.912 714 G HN 1.362 nan 8.290 nan 0.000 0.483 715 Y N -2.162 118.139 120.300 0.000 0.000 3.032 715 Y HA 0.292 4.752 4.550 -0.151 0.000 0.232 715 Y C 1.922 177.725 175.900 -0.163 0.000 1.107 715 Y CA 0.500 58.511 58.100 -0.149 0.000 1.355 715 Y CB -0.198 38.060 38.460 -0.336 0.000 1.413 715 Y HN 0.383 nan 8.280 nan 0.000 0.447 716 Y N -0.468 119.872 120.300 0.067 0.000 2.490 716 Y HA 0.191 4.671 4.550 -0.116 0.000 0.285 716 Y C 0.934 176.864 175.900 0.050 0.000 1.117 716 Y CA 1.505 59.585 58.100 -0.034 0.000 1.262 716 Y CB 0.382 38.854 38.460 0.021 0.000 1.043 716 Y HN 0.213 nan 8.280 nan 0.000 0.553 717 H N -0.078 119.074 119.070 0.136 0.000 2.712 717 H HA 0.241 4.711 4.556 -0.143 0.000 0.226 717 H C -2.757 172.713 175.328 0.237 0.000 1.422 717 H CA -2.352 53.786 56.048 0.149 0.000 1.270 717 H CB 0.587 30.399 29.762 0.083 0.000 1.891 717 H HN 0.010 nan 8.280 nan 0.000 0.518 718 P HA -0.140 nan 4.420 nan 0.000 0.271 718 P C -0.064 177.283 177.300 0.079 0.000 1.228 718 P CA 0.126 63.303 63.100 0.130 0.000 0.797 718 P CB 0.599 32.330 31.700 0.053 0.000 0.914 719 N N 0.814 119.524 118.700 0.017 0.000 2.402 719 N HA -0.012 4.642 4.740 -0.143 0.000 0.252 719 N C 1.116 176.636 175.510 0.018 0.000 1.118 719 N CA 0.293 53.327 53.050 -0.026 0.000 0.945 719 N CB 0.415 38.870 38.487 -0.052 0.000 1.147 719 N HN 0.409 nan 8.380 nan 0.000 0.495 720 T N 0.812 115.414 114.554 0.081 0.000 2.737 720 T HA -0.210 4.055 4.350 -0.143 0.000 0.269 720 T C 1.298 176.080 174.700 0.136 0.000 1.040 720 T CA 1.253 63.466 62.100 0.188 0.000 1.142 720 T CB -0.086 68.916 68.868 0.223 0.000 0.861 720 T HN 0.457 nan 8.240 nan 0.000 0.456 721 D N 1.001 121.440 120.400 0.065 0.000 2.077 721 D HA -0.065 4.489 4.640 -0.143 0.000 0.193 721 D C 2.164 178.474 176.300 0.017 0.000 0.989 721 D CA 1.032 55.057 54.000 0.043 0.000 0.831 721 D CB -0.253 40.557 40.800 0.016 0.000 0.979 721 D HN 0.264 nan 8.370 nan 0.000 0.449 722 L N 0.924 122.143 121.223 -0.008 0.000 2.089 722 L HA -0.193 4.061 4.340 -0.143 0.000 0.213 722 L C 2.676 179.521 176.870 -0.042 0.000 1.079 722 L CA 1.589 56.415 54.840 -0.022 0.000 0.758 722 L CB -1.071 40.971 42.059 -0.029 0.000 0.891 722 L HN 0.094 nan 8.230 nan 0.000 0.433 723 T N -1.946 112.548 114.554 -0.099 0.000 2.737 723 T HA -0.148 4.116 4.350 -0.143 0.000 0.265 723 T C 2.097 176.670 174.700 -0.211 0.000 1.038 723 T CA 1.526 63.471 62.100 -0.257 0.000 1.144 723 T CB -0.264 68.207 68.868 -0.662 0.000 0.866 723 T HN 0.274 nan 8.240 nan 0.000 0.434 724 S N 1.145 116.817 115.700 -0.047 0.000 2.370 724 S HA -0.086 4.298 4.470 -0.143 0.000 0.226 724 S C 2.070 176.708 174.600 0.063 0.000 1.033 724 S CA 1.067 59.335 58.200 0.112 0.000 1.011 724 S CB -0.191 63.114 63.200 0.176 0.000 0.852 724 S HN 0.505 nan 8.310 nan 0.000 0.457 725 K N 1.093 121.515 120.400 0.036 0.000 2.148 725 K HA 0.061 4.296 4.320 -0.143 0.000 0.204 725 K C 2.291 178.919 176.600 0.046 0.000 1.050 725 K CA 1.038 57.345 56.287 0.034 0.000 0.942 725 K CB -0.218 32.293 32.500 0.018 0.000 0.724 725 K HN 0.336 nan 8.250 nan 0.000 0.446 726 A N 0.863 123.713 122.820 0.050 0.000 1.930 726 A HA -0.052 4.183 4.320 -0.143 0.000 0.215 726 A C 1.986 179.689 177.584 0.198 0.000 1.176 726 A CA 1.016 53.114 52.037 0.102 0.000 0.632 726 A CB -0.102 18.962 19.000 0.106 0.000 0.819 726 A HN 0.092 nan 8.150 nan 0.000 0.445 727 M N -0.541 119.146 119.600 0.145 0.000 2.514 727 M HA 0.127 4.522 4.480 -0.143 0.000 0.258 727 M C 0.358 176.733 176.300 0.124 0.000 1.119 727 M CA 0.738 56.114 55.300 0.125 0.000 1.111 727 M CB -0.338 32.295 32.600 0.055 0.000 1.390 727 M HN 0.188 nan 8.290 nan 0.000 0.475 728 R N -0.232 120.329 120.500 0.102 0.000 2.835 728 R HA 0.246 4.501 4.340 -0.143 0.000 0.290 728 R C -2.107 174.237 176.300 0.074 0.000 1.410 728 R CA -1.128 55.022 56.100 0.084 0.000 1.590 728 R CB 0.332 30.663 30.300 0.051 0.000 1.288 728 R HN 0.061 nan 8.270 nan 0.000 0.637 729 P HA -0.135 nan 4.420 nan 0.000 0.213 729 P C 0.709 178.047 177.300 0.063 0.000 1.170 729 P CA 1.019 64.160 63.100 0.069 0.000 0.893 729 P CB 0.186 31.930 31.700 0.073 0.000 0.784 730 S N -0.344 115.408 115.700 0.088 0.000 2.643 730 S HA 0.119 4.504 4.470 -0.143 0.000 0.329 730 S C 1.311 175.967 174.600 0.092 0.000 1.193 730 S CA 0.068 58.323 58.200 0.091 0.000 1.293 730 S CB -0.788 62.495 63.200 0.138 0.000 1.205 730 S HN 0.147 nan 8.310 nan 0.000 0.550 731 A N 4.244 127.097 122.820 0.054 0.000 2.168 731 A HA 0.018 4.252 4.320 -0.143 0.000 0.215 731 A C 2.176 179.790 177.584 0.050 0.000 1.152 731 A CA 1.379 53.440 52.037 0.040 0.000 0.716 731 A CB -0.722 18.291 19.000 0.023 0.000 0.794 731 A HN 0.916 nan 8.150 nan 0.000 0.465 732 T N -4.065 110.529 114.554 0.067 0.000 3.009 732 T HA 0.042 4.307 4.350 -0.143 0.000 0.258 732 T C 1.731 176.525 174.700 0.157 0.000 1.063 732 T CA 0.846 62.989 62.100 0.073 0.000 1.139 732 T CB -0.503 68.385 68.868 0.034 0.000 0.890 732 T HN 0.434 nan 8.240 nan 0.000 0.471 733 F N 2.362 122.304 119.950 -0.013 0.000 2.259 733 F HA -0.037 4.404 4.527 -0.143 0.000 0.298 733 F C 2.150 177.970 175.800 0.033 0.000 1.088 733 F CA 0.275 58.287 58.000 0.020 0.000 1.358 733 F CB -0.022 38.996 39.000 0.029 0.000 1.040 733 F HN 0.063 nan 8.300 nan 0.000 0.505 734 N N 1.303 120.026 118.700 0.040 0.000 2.106 734 N HA -0.149 4.505 4.740 -0.143 0.000 0.188 734 N C 1.898 177.384 175.510 -0.041 0.000 1.029 734 N CA 1.414 54.411 53.050 -0.087 0.000 0.848 734 N CB -0.662 37.795 38.487 -0.050 0.000 1.007 734 N HN 0.326 nan 8.380 nan 0.000 0.423 735 A N 0.569 123.393 122.820 0.007 0.000 2.172 735 A HA 0.177 4.411 4.320 -0.143 0.000 0.216 735 A C 1.707 179.297 177.584 0.010 0.000 1.154 735 A CA 1.196 53.234 52.037 0.001 0.000 0.701 735 A CB -0.225 18.780 19.000 0.008 0.000 0.789 735 A HN 0.296 nan 8.150 nan 0.000 0.465 736 A N -1.643 121.211 122.820 0.056 0.000 2.532 736 A HA 0.570 4.804 4.320 -0.143 0.000 0.273 736 A C 0.995 178.613 177.584 0.057 0.000 1.342 736 A CA 0.118 52.201 52.037 0.076 0.000 0.929 736 A CB -0.155 18.941 19.000 0.159 0.000 1.051 736 A HN 0.381 nan 8.150 nan 0.000 0.521 737 L N -2.677 118.531 121.223 -0.024 0.000 2.753 737 L HA 0.390 4.644 4.340 -0.143 0.000 0.238 737 L C 2.322 179.121 176.870 -0.118 0.000 1.028 737 L CA 1.443 56.233 54.840 -0.083 0.000 0.966 737 L CB -0.659 41.311 42.059 -0.149 0.000 1.681 737 L HN 0.212 nan 8.230 nan 0.000 0.511 738 A N 0.673 123.436 122.820 -0.096 0.000 1.908 738 A HA -0.008 4.227 4.320 -0.143 0.000 0.218 738 A C -1.100 176.423 177.584 -0.101 0.000 1.181 738 A CA 1.572 53.553 52.037 -0.092 0.000 0.627 738 A CB -1.932 17.027 19.000 -0.069 0.000 0.818 738 A HN 0.394 nan 8.150 nan 0.000 0.445 739 P HA 0.406 nan 4.420 nan 0.000 0.225 739 P C -0.457 176.759 177.300 -0.140 0.000 1.813 739 P CA -0.356 62.685 63.100 -0.098 0.000 1.013 739 P CB -0.058 31.600 31.700 -0.070 0.000 1.961 740 L N 0.000 121.109 121.223 -0.191 0.000 2.949 740 L HA 0.000 4.254 4.340 -0.143 0.000 0.249 740 L CA 0.000 54.663 54.840 -0.296 0.000 0.813 740 L CB 0.000 41.832 42.059 -0.378 0.000 0.961 740 L HN 0.000 nan 8.230 nan 0.000 0.502