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 3ixw_1_J DATA FIRST_RESID 1 DATA SEQUENCE TVADKQARLM PLFKHLTALT REKLPLDQRD ERLKGVGILP RGTLFSCFHA DATA SEQUENCE RHLAEATELY VALYGAKDFN DFIHLCEQAR QIVNEGMFVY AVSVAVLHRE DATA SEQUENCE DCKGITVPPI QEVFPDRFVP AETINRANKE ASNHPDQQSI VVEAEETGNI DATA SEQUENCE LDPEYKLSYF REDIGINAHH WHWHIVYPAT WNPTVMGKEK DRKGELFFYM DATA SEQUENCE HQQMCARYDS ERLSNGLQRM IPFHNFDEPL EGYAPHLTSL VSGLQYASRP DATA SEQUENCE EGYSIHDLSD VDVQDMVRWR ERILDAINMH YIVDKDNNKI PLDIEHGTDI DATA SEQUENCE LGDIIESSDE SKNVEYYGSL HNWGHVMMAN ITDPDHRFQE NPGVMSDTST DATA SEQUENCE SLRDPIFYRW HRFIDNIFQE HKKSFHPYTK EELSFPGVEV VGVSINSKTA DATA SEQUENCE NVITTLIKES LLELSHGINF GTDQSVKVKY HHLDHEPFTY NIVVENNSGA DATA SEQUENCE EKHSTVRIFL APKYDELNNK LEPDEQRRLF IELDKFFYTL TPGKNTIVRN DATA SEQUENCE HQDSSVTISK VRTFDQLGAG EGVSEDSTEY CSCGWPEHML IPRGSHKGME DATA SEQUENCE FELFVMLTDH DEDTVAGLSE NAVCSDAVSY CGARDDRYPD KKAMGFPFDR DATA SEQUENCE KIEARTAAEF LTPNMGLTDI KIKFHG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.551 174.700 -0.249 0.000 1.109 1 T CA 0.000 62.029 62.100 -0.118 0.000 1.349 1 T CB 0.000 68.823 68.868 -0.074 0.000 0.612 2 V N 1.897 121.622 119.914 -0.314 0.000 2.759 2 V HA -0.137 nan 4.120 nan 0.000 0.256 2 V C 1.214 177.133 176.094 -0.291 0.000 1.080 2 V CA 2.459 64.507 62.300 -0.420 0.000 1.101 2 V CB -0.525 31.062 31.823 -0.393 0.000 0.698 2 V HN 0.563 8.605 8.190 -0.247 0.000 0.477 3 A N 0.199 122.910 122.820 -0.182 0.000 1.835 3 A HA -0.315 nan 4.320 nan 0.000 0.215 3 A C 0.533 178.067 177.584 -0.083 0.000 1.199 3 A CA 3.551 55.516 52.037 -0.119 0.000 0.615 3 A CB -0.860 18.095 19.000 -0.075 0.000 0.838 3 A HN -0.063 7.982 8.150 -0.162 0.008 0.444 4 D N -1.872 118.503 120.400 -0.042 0.000 2.263 4 D HA -0.271 nan 4.640 nan 0.000 0.208 4 D C 2.147 178.505 176.300 0.097 0.000 0.971 4 D CA 2.833 56.855 54.000 0.037 0.000 0.867 4 D CB -0.653 40.190 40.800 0.072 0.000 0.929 4 D HN 0.048 8.388 8.370 -0.049 0.000 0.492 5 K N 0.457 120.842 120.400 -0.025 0.000 2.001 5 K HA -0.482 nan 4.320 nan 0.000 0.214 5 K C 2.368 179.013 176.600 0.075 0.000 1.050 5 K CA 3.109 59.363 56.287 -0.055 0.000 0.934 5 K CB -0.184 31.735 32.500 -0.969 0.000 0.718 5 K HN -0.064 8.078 8.250 -0.149 0.019 0.443 6 Q N -2.247 117.503 119.800 -0.082 0.000 2.077 6 Q HA -0.333 nan 4.340 nan 0.000 0.206 6 Q C 2.490 178.500 176.000 0.017 0.000 0.989 6 Q CA 2.880 58.650 55.803 -0.056 0.000 0.853 6 Q CB -0.030 28.634 28.738 -0.124 0.000 0.907 6 Q HN -0.577 7.579 8.270 -0.190 0.000 0.418 7 A N -3.643 119.200 122.820 0.039 0.000 2.248 7 A HA -0.157 nan 4.320 nan 0.000 0.210 7 A C 0.789 178.450 177.584 0.128 0.000 1.174 7 A CA 1.600 53.681 52.037 0.073 0.000 0.750 7 A CB -0.683 18.353 19.000 0.060 0.000 0.780 7 A HN -0.064 8.032 8.150 0.013 0.062 0.478 8 R N -3.369 117.241 120.500 0.183 0.000 2.121 8 R HA 0.081 nan 4.340 nan 0.000 0.206 8 R C 1.904 178.342 176.300 0.229 0.000 1.094 8 R CA 2.098 58.325 56.100 0.211 0.000 1.055 8 R CB 0.648 31.100 30.300 0.253 0.000 0.964 8 R HN -0.598 7.638 8.270 0.206 0.158 0.473 9 L N 0.261 121.638 121.223 0.257 0.000 1.976 9 L HA -0.351 nan 4.340 nan 0.000 0.209 9 L C 2.317 179.385 176.870 0.330 0.000 1.071 9 L CA 3.799 58.816 54.840 0.295 0.000 0.746 9 L CB -0.085 42.109 42.059 0.226 0.000 0.890 9 L HN -0.623 7.769 8.230 0.270 0.000 0.432 10 M N -2.723 116.947 119.600 0.116 0.000 2.117 10 M HA -0.284 nan 4.480 nan 0.000 0.262 10 M C -1.105 175.416 176.300 0.369 0.000 1.065 10 M CA 5.604 60.957 55.300 0.089 0.000 1.114 10 M CB -2.424 29.974 32.600 -0.336 0.000 1.361 10 M HN -0.558 7.764 8.290 0.053 0.000 0.408 11 P HA -0.283 nan 4.420 nan 0.000 0.217 11 P C 0.319 177.770 177.300 0.251 0.000 1.151 11 P CA 2.916 66.168 63.100 0.253 0.000 0.849 11 P CB -0.589 31.221 31.700 0.183 0.000 0.787 12 L N -5.536 115.856 121.223 0.282 0.000 2.093 12 L HA -0.221 nan 4.340 nan 0.000 0.208 12 L C 1.509 178.492 176.870 0.188 0.000 1.085 12 L CA 1.906 56.871 54.840 0.209 0.000 0.755 12 L CB -0.014 42.163 42.059 0.197 0.000 0.904 12 L HN -0.749 7.580 8.230 0.308 0.086 0.435 13 F N -4.350 115.711 119.950 0.184 0.000 2.802 13 F HA -0.143 nan 4.527 nan 0.000 0.300 13 F C 0.475 176.357 175.800 0.137 0.000 1.168 13 F CA 1.190 59.311 58.000 0.202 0.000 1.433 13 F CB -0.262 38.929 39.000 0.318 0.000 1.115 13 F HN -0.580 8.125 8.300 0.802 0.076 0.582 14 K N 0.567 121.118 120.400 0.251 0.000 2.110 14 K HA -0.140 nan 4.320 nan 0.000 0.260 14 K C -1.322 175.081 176.600 -0.327 0.000 1.126 14 K CA 0.627 56.831 56.287 -0.138 0.000 1.005 14 K CB -1.290 31.186 32.500 -0.040 0.000 1.336 14 K HN -0.347 7.947 8.250 0.351 0.166 0.369 15 H N -1.833 117.210 119.070 -0.045 0.000 3.138 15 H HA -0.360 nan 4.556 nan 0.000 0.337 15 H C -0.617 174.650 175.328 -0.101 0.000 1.347 15 H CA -0.123 55.865 56.048 -0.099 0.000 1.254 15 H CB -3.365 26.319 29.762 -0.130 0.000 1.456 15 H HN 0.242 8.278 8.280 -0.365 0.024 0.453 16 L N -0.347 120.822 121.223 -0.090 0.000 1.933 16 L HA -0.336 nan 4.340 nan 0.000 0.220 16 L C 1.139 177.942 176.870 -0.112 0.000 1.078 16 L CA 3.092 57.831 54.840 -0.168 0.000 0.773 16 L CB -0.314 41.563 42.059 -0.303 0.000 0.890 16 L HN -0.139 8.017 8.230 -0.124 0.000 0.434 17 T N 0.523 115.038 114.554 -0.065 0.000 2.653 17 T HA -0.537 nan 4.350 nan 0.000 0.267 17 T C 2.015 176.707 174.700 -0.013 0.000 1.037 17 T CA 4.351 66.464 62.100 0.021 0.000 1.159 17 T CB -1.053 67.870 68.868 0.091 0.000 0.859 17 T HN 0.302 8.477 8.240 -0.110 0.000 0.449 18 A N 0.847 123.652 122.820 -0.026 0.000 2.186 18 A HA -0.183 nan 4.320 nan 0.000 0.219 18 A C 2.340 179.890 177.584 -0.056 0.000 1.159 18 A CA 2.319 54.333 52.037 -0.038 0.000 0.680 18 A CB -1.148 17.828 19.000 -0.040 0.000 0.787 18 A HN 0.062 8.181 8.150 -0.021 0.018 0.467 19 L N -2.388 118.790 121.223 -0.074 0.000 2.191 19 L HA -0.364 nan 4.340 nan 0.000 0.212 19 L C 1.762 178.557 176.870 -0.126 0.000 1.103 19 L CA 2.347 57.126 54.840 -0.101 0.000 0.769 19 L CB -0.446 41.534 42.059 -0.131 0.000 0.908 19 L HN 0.144 8.282 8.230 -0.073 0.048 0.438 20 T N -1.733 112.754 114.554 -0.112 0.000 2.737 20 T HA -0.267 nan 4.350 nan 0.000 0.269 20 T C -0.187 174.447 174.700 -0.110 0.000 1.040 20 T CA 2.744 64.772 62.100 -0.120 0.000 1.142 20 T CB -0.020 68.805 68.868 -0.072 0.000 0.861 20 T HN 0.014 8.039 8.240 -0.085 0.163 0.456 21 R N 0.067 120.517 120.500 -0.083 0.000 2.265 21 R HA 0.250 nan 4.340 nan 0.000 0.328 21 R C -0.933 175.322 176.300 -0.074 0.000 0.969 21 R CA -0.133 55.922 56.100 -0.074 0.000 0.832 21 R CB 1.126 31.394 30.300 -0.054 0.000 1.139 21 R HN -0.823 7.380 8.270 -0.074 0.023 0.457 22 E N 3.497 123.650 120.200 -0.078 0.000 2.435 22 E HA 0.295 nan 4.350 nan 0.000 0.272 22 E C -1.630 174.934 176.600 -0.061 0.000 1.031 22 E CA -1.882 54.476 56.400 -0.070 0.000 0.872 22 E CB 4.827 34.479 29.700 -0.079 0.000 1.588 22 E HN 0.274 8.582 8.360 -0.087 0.000 0.460 23 K N 1.105 121.475 120.400 -0.051 0.000 2.220 23 K HA 0.060 nan 4.320 nan 0.000 0.283 23 K C -0.812 175.762 176.600 -0.044 0.000 1.098 23 K CA 0.670 56.932 56.287 -0.041 0.000 0.928 23 K CB -0.348 32.133 32.500 -0.032 0.000 1.214 23 K HN 0.404 8.624 8.250 -0.050 0.000 0.442 24 L N 6.760 127.955 121.223 -0.048 0.000 2.488 24 L HA 0.335 nan 4.340 nan 0.000 0.250 24 L C -2.281 174.567 176.870 -0.037 0.000 1.280 24 L CA -2.982 51.830 54.840 -0.046 0.000 0.929 24 L CB 0.475 42.495 42.059 -0.064 0.000 1.200 24 L HN -0.245 7.955 8.230 -0.050 0.000 0.495 25 P HA -0.072 nan 4.420 nan 0.000 0.225 25 P C -1.240 176.048 177.300 -0.020 0.000 1.148 25 P CA 0.650 63.737 63.100 -0.022 0.000 0.779 25 P CB 0.316 32.005 31.700 -0.018 0.000 0.780 26 L N -0.141 121.069 121.223 -0.020 0.000 2.541 26 L HA 0.217 nan 4.340 nan 0.000 0.266 26 L C 0.083 176.940 176.870 -0.020 0.000 0.966 26 L CA -0.753 54.077 54.840 -0.017 0.000 0.871 26 L CB 2.192 44.245 42.059 -0.011 0.000 1.232 26 L HN -0.726 7.423 8.230 -0.023 0.067 0.408 27 D N 3.034 123.420 120.400 -0.023 0.000 2.178 27 D HA -0.357 nan 4.640 nan 0.000 0.201 27 D C 0.781 177.069 176.300 -0.020 0.000 0.980 27 D CA 2.934 56.917 54.000 -0.028 0.000 0.842 27 D CB -0.007 40.777 40.800 -0.027 0.000 0.948 27 D HN 0.553 8.910 8.370 -0.021 0.000 0.472 28 Q N 0.646 120.439 119.800 -0.012 0.000 2.268 28 Q HA -0.387 nan 4.340 nan 0.000 0.213 28 Q C 2.073 178.071 176.000 -0.003 0.000 0.995 28 Q CA 2.552 58.352 55.803 -0.006 0.000 0.901 28 Q CB -1.391 27.345 28.738 -0.003 0.000 0.921 28 Q HN 0.118 8.363 8.270 -0.012 0.018 0.421 29 R N -1.086 119.412 120.500 -0.004 0.000 2.159 29 R HA -0.352 nan 4.340 nan 0.000 0.252 29 R C 1.422 177.724 176.300 0.003 0.000 1.144 29 R CA 1.989 58.091 56.100 0.003 0.000 0.961 29 R CB -0.288 30.014 30.300 0.002 0.000 0.877 29 R HN -0.542 7.693 8.270 -0.007 0.031 0.444 30 D N -1.524 118.871 120.400 -0.008 0.000 2.590 30 D HA 0.331 nan 4.640 nan 0.000 0.280 30 D C -0.638 175.661 176.300 -0.001 0.000 1.197 30 D CA -0.588 53.408 54.000 -0.007 0.000 0.967 30 D CB -0.229 40.558 40.800 -0.021 0.000 0.987 30 D HN -0.317 8.026 8.370 -0.014 0.018 0.508 31 E N 1.877 122.080 120.200 0.005 0.000 2.233 31 E HA -0.623 nan 4.350 nan 0.000 0.210 31 E C 1.520 178.127 176.600 0.013 0.000 1.046 31 E CA 3.767 60.172 56.400 0.009 0.000 0.844 31 E CB -0.419 29.288 29.700 0.012 0.000 0.741 31 E HN -0.328 7.976 8.360 0.005 0.059 0.465 32 R N -1.160 119.349 120.500 0.015 0.000 2.446 32 R HA -0.376 nan 4.340 nan 0.000 0.206 32 R C 2.098 178.405 176.300 0.012 0.000 1.011 32 R CA 2.454 58.566 56.100 0.019 0.000 0.780 32 R CB -0.759 29.551 30.300 0.016 0.000 0.782 32 R HN 0.220 8.527 8.270 0.016 -0.027 0.428 33 L N -1.591 119.633 121.223 0.001 0.000 2.549 33 L HA -0.136 nan 4.340 nan 0.000 0.229 33 L C 1.205 178.068 176.870 -0.012 0.000 1.158 33 L CA 2.146 56.980 54.840 -0.010 0.000 0.842 33 L CB -1.065 40.982 42.059 -0.020 0.000 0.952 33 L HN -0.017 8.184 8.230 -0.002 0.027 0.452 34 K N -0.587 119.810 120.400 -0.006 0.000 2.189 34 K HA -0.358 nan 4.320 nan 0.000 0.207 34 K C 1.527 178.125 176.600 -0.002 0.000 1.046 34 K CA 2.469 58.753 56.287 -0.005 0.000 0.928 34 K CB -1.455 31.046 32.500 0.001 0.000 0.720 34 K HN 0.324 8.428 8.250 -0.002 0.144 0.458 35 G N -1.839 106.962 108.800 0.001 0.000 2.494 35 G HA2 -0.067 nan 3.960 nan 0.000 0.216 35 G HA3 -0.067 nan 3.960 nan 0.000 0.216 35 G C -0.348 174.555 174.900 0.005 0.000 1.140 35 G CA -0.187 44.918 45.100 0.008 0.000 0.801 35 G HN -0.439 8.136 8.290 0.001 -0.284 0.536 36 V N 0.572 120.481 119.914 -0.008 0.000 2.529 36 V HA -0.092 nan 4.120 nan 0.000 0.292 36 V C -0.559 175.527 176.094 -0.013 0.000 1.028 36 V CA 0.907 63.198 62.300 -0.015 0.000 1.074 36 V CB -0.406 31.390 31.823 -0.045 0.000 0.958 36 V HN -0.420 7.761 8.190 -0.015 0.000 0.481 37 G N 10.248 119.052 108.800 0.007 0.000 4.024 37 G HA2 -0.030 nan 3.960 nan 0.000 0.237 37 G HA3 -0.030 nan 3.960 nan 0.000 0.237 37 G C -1.321 173.601 174.900 0.037 0.000 3.869 37 G CA 0.500 45.603 45.100 0.005 0.000 0.560 37 G HN 0.240 8.822 8.290 0.029 -0.274 0.230 38 I N -1.674 118.944 120.570 0.080 0.000 3.424 38 I HA 0.356 nan 4.170 nan 0.000 0.339 38 I C -2.132 174.073 176.117 0.146 0.000 1.549 38 I CA -1.160 60.212 61.300 0.120 0.000 1.049 38 I CB 0.408 38.493 38.000 0.141 0.000 1.439 38 I HN -0.084 8.685 8.210 0.097 -0.500 0.500 39 L N 1.989 123.215 121.223 0.005 0.000 2.514 39 L HA 0.511 nan 4.340 nan 0.000 0.257 39 L C -2.513 174.305 176.870 -0.087 0.000 1.101 39 L CA -2.353 52.433 54.840 -0.090 0.000 0.911 39 L CB 2.195 44.025 42.059 -0.381 0.000 1.162 39 L HN -0.596 7.561 8.230 -0.018 0.063 0.477 40 P HA 0.316 nan 4.420 nan 0.000 0.279 40 P C -1.169 176.103 177.300 -0.047 0.000 1.318 40 P CA -0.651 62.423 63.100 -0.044 0.000 0.819 40 P CB -0.333 31.354 31.700 -0.022 0.000 0.927 41 R N 4.098 124.558 120.500 -0.066 0.000 3.750 41 R HA -0.382 nan 4.340 nan 0.000 0.495 41 R C 0.049 176.326 176.300 -0.038 0.000 0.241 41 R CA 1.375 57.441 56.100 -0.056 0.000 1.551 41 R CB -2.045 28.228 30.300 -0.045 0.000 0.956 41 R HN -0.339 7.881 8.270 -0.082 0.000 0.584 42 G N 1.331 110.121 108.800 -0.017 0.000 3.263 42 G HA2 0.014 nan 3.960 nan 0.000 0.246 42 G HA3 0.014 nan 3.960 nan 0.000 0.246 42 G C -1.059 173.848 174.900 0.011 0.000 0.982 42 G CA -0.578 44.522 45.100 -0.001 0.000 1.897 42 G HN 0.321 8.602 8.290 -0.016 0.000 0.624 43 T N -0.033 114.530 114.554 0.015 0.000 2.747 43 T HA 0.079 nan 4.350 nan 0.000 0.301 43 T C -0.240 174.507 174.700 0.078 0.000 0.952 43 T CA -1.226 60.902 62.100 0.047 0.000 0.983 43 T CB 0.238 69.135 68.868 0.049 0.000 0.930 43 T HN -0.471 7.677 8.240 -0.004 0.090 0.494 44 L N 4.684 125.965 121.223 0.096 0.000 2.433 44 L HA 0.033 nan 4.340 nan 0.000 0.275 44 L C 0.292 177.275 176.870 0.189 0.000 1.128 44 L CA -0.156 54.751 54.840 0.112 0.000 0.875 44 L CB 0.299 42.388 42.059 0.049 0.000 1.171 44 L HN 0.244 8.528 8.230 0.091 0.000 0.463 45 F N 7.176 127.131 119.950 0.008 0.000 2.519 45 F HA -0.217 nan 4.527 nan 0.000 0.381 45 F C -0.376 175.435 175.800 0.018 0.000 1.076 45 F CA -0.185 57.835 58.000 0.034 0.000 1.095 45 F CB -0.025 38.951 39.000 -0.040 0.000 1.046 45 F HN 0.062 8.530 8.300 0.281 0.000 0.559 46 S N 6.424 122.084 115.700 -0.068 0.000 2.498 46 S HA -0.036 nan 4.470 nan 0.000 0.281 46 S C 1.643 175.785 174.600 -0.764 0.000 1.265 46 S CA -0.305 57.740 58.200 -0.258 0.000 1.071 46 S CB 0.782 63.930 63.200 -0.086 0.000 0.894 46 S HN -0.011 8.342 8.310 0.072 0.000 0.491 47 C N 7.946 126.567 119.300 -1.132 0.000 2.449 47 C HA -0.099 nan 4.460 nan 0.000 0.283 47 C C 0.389 174.695 174.990 -1.141 0.000 1.453 47 C CA 1.049 59.052 59.018 -1.692 0.000 1.779 47 C CB -1.416 25.455 27.740 -1.448 0.000 1.779 47 C HN 0.959 8.714 8.230 -0.791 0.000 0.546 48 F N -5.349 114.356 119.950 -0.408 0.000 2.678 48 F HA 0.117 nan 4.527 nan 0.000 0.305 48 F C -0.581 175.043 175.800 -0.293 0.000 1.090 48 F CA -0.487 57.295 58.000 -0.363 0.000 1.272 48 F CB 0.469 39.263 39.000 -0.342 0.000 1.060 48 F HN -0.887 7.105 8.300 -0.378 0.081 0.576 49 H N 2.236 121.278 119.070 -0.047 0.000 3.017 49 H HA -0.080 nan 4.556 nan 0.000 0.276 49 H C 0.442 175.782 175.328 0.020 0.000 1.062 49 H CA 0.342 56.398 56.048 0.015 0.000 1.486 49 H CB 0.920 30.656 29.762 -0.043 0.000 1.507 49 H HN -0.883 7.366 8.280 -0.052 0.000 0.508 50 A N 7.548 129.979 122.820 -0.649 0.000 1.948 50 A HA -0.429 nan 4.320 nan 0.000 0.220 50 A C 1.647 179.172 177.584 -0.098 0.000 1.177 50 A CA 3.309 55.220 52.037 -0.210 0.000 0.636 50 A CB -0.231 18.779 19.000 0.017 0.000 0.815 50 A HN 0.214 8.065 8.150 -0.750 -0.151 0.449 51 R N -2.326 118.085 120.500 -0.148 0.000 2.091 51 R HA -0.404 nan 4.340 nan 0.000 0.238 51 R C 2.528 178.902 176.300 0.123 0.000 1.136 51 R CA 3.565 59.685 56.100 0.033 0.000 0.959 51 R CB -0.358 29.991 30.300 0.081 0.000 0.856 51 R HN 0.111 8.057 8.270 -0.476 0.038 0.437 52 H N -1.124 118.065 119.070 0.198 0.000 2.428 52 H HA -0.075 nan 4.556 nan 0.000 0.296 52 H C 2.533 177.959 175.328 0.162 0.000 1.062 52 H CA 1.808 57.979 56.048 0.206 0.000 1.350 52 H CB -0.472 29.522 29.762 0.387 0.000 1.403 52 H HN -0.062 8.227 8.280 0.042 0.017 0.533 53 L N -0.590 120.782 121.223 0.249 0.000 2.017 53 L HA -0.459 nan 4.340 nan 0.000 0.208 53 L C 1.817 178.776 176.870 0.147 0.000 1.073 53 L CA 3.078 58.029 54.840 0.184 0.000 0.745 53 L CB -0.755 41.370 42.059 0.111 0.000 0.894 53 L HN -0.694 7.654 8.230 0.196 0.000 0.432 54 A N -1.319 121.574 122.820 0.122 0.000 1.873 54 A HA -0.465 nan 4.320 nan 0.000 0.218 54 A C 2.050 179.680 177.584 0.076 0.000 1.193 54 A CA 3.235 55.332 52.037 0.100 0.000 0.629 54 A CB -1.174 17.881 19.000 0.091 0.000 0.826 54 A HN -0.241 7.977 8.150 0.113 0.000 0.447 55 E N -1.805 118.450 120.200 0.091 0.000 2.070 55 E HA -0.464 nan 4.350 nan 0.000 0.197 55 E C 2.497 179.067 176.600 -0.051 0.000 1.004 55 E CA 3.056 59.484 56.400 0.046 0.000 0.805 55 E CB -0.102 29.653 29.700 0.092 0.000 0.744 55 E HN -0.031 8.411 8.360 0.136 0.000 0.451 56 A N -2.848 119.917 122.820 -0.092 0.000 2.019 56 A HA -0.167 nan 4.320 nan 0.000 0.219 56 A C 1.965 179.255 177.584 -0.489 0.000 1.164 56 A CA 2.936 54.760 52.037 -0.355 0.000 0.644 56 A CB -0.646 18.163 19.000 -0.318 0.000 0.805 56 A HN 0.302 8.340 8.150 0.003 0.114 0.449 57 T N 0.587 115.101 114.554 -0.068 0.000 2.904 57 T HA -0.220 nan 4.350 nan 0.000 0.267 57 T C 1.642 176.383 174.700 0.069 0.000 1.059 57 T CA 4.141 66.328 62.100 0.145 0.000 1.137 57 T CB -0.639 68.346 68.868 0.195 0.000 0.879 57 T HN -0.126 7.967 8.240 0.014 0.156 0.467 58 E N 2.284 122.487 120.200 0.006 0.000 2.049 58 E HA -0.337 nan 4.350 nan 0.000 0.198 58 E C 1.696 178.287 176.600 -0.016 0.000 1.007 58 E CA 3.318 59.721 56.400 0.004 0.000 0.809 58 E CB -0.569 29.128 29.700 -0.005 0.000 0.749 58 E HN -0.484 7.877 8.360 0.002 0.000 0.450 59 L N -1.212 119.944 121.223 -0.112 0.000 2.093 59 L HA -0.340 nan 4.340 nan 0.000 0.208 59 L C 2.437 179.272 176.870 -0.058 0.000 1.085 59 L CA 3.813 58.578 54.840 -0.125 0.000 0.755 59 L CB -0.246 41.683 42.059 -0.216 0.000 0.904 59 L HN -0.662 7.415 8.230 -0.156 0.060 0.435 60 Y N -2.135 118.236 120.300 0.118 0.000 2.163 60 Y HA -0.390 nan 4.550 nan 0.000 0.288 60 Y C 2.369 178.425 175.900 0.260 0.000 1.136 60 Y CA 3.231 61.455 58.100 0.206 0.000 1.147 60 Y CB -1.406 37.189 38.460 0.224 0.000 0.987 60 Y HN 0.160 8.079 8.280 -0.285 0.190 0.509 61 V N -4.042 116.041 119.914 0.281 0.000 2.427 61 V HA -0.392 nan 4.120 nan 0.000 0.248 61 V C 1.723 177.913 176.094 0.160 0.000 1.051 61 V CA 2.633 65.050 62.300 0.197 0.000 1.048 61 V CB -1.411 30.476 31.823 0.106 0.000 0.666 61 V HN 0.056 8.380 8.190 0.222 0.000 0.456 62 A N 0.850 123.737 122.820 0.112 0.000 1.841 62 A HA -0.280 nan 4.320 nan 0.000 0.216 62 A C 2.190 179.823 177.584 0.082 0.000 1.199 62 A CA 3.007 55.089 52.037 0.076 0.000 0.621 62 A CB -0.611 18.412 19.000 0.039 0.000 0.835 62 A HN -0.050 8.156 8.150 0.093 0.000 0.445 63 L N -2.418 118.843 121.223 0.063 0.000 2.131 63 L HA -0.326 nan 4.340 nan 0.000 0.210 63 L C 2.236 179.074 176.870 -0.053 0.000 1.092 63 L CA 2.573 57.399 54.840 -0.022 0.000 0.759 63 L CB -0.645 41.357 42.059 -0.095 0.000 0.903 63 L HN 0.057 8.221 8.230 0.078 0.113 0.435 64 Y N -3.445 116.912 120.300 0.094 0.000 2.181 64 Y HA -0.264 nan 4.550 nan 0.000 0.288 64 Y C 1.828 177.757 175.900 0.048 0.000 1.146 64 Y CA 2.587 60.725 58.100 0.064 0.000 1.164 64 Y CB -0.040 38.430 38.460 0.016 0.000 0.982 64 Y HN -0.410 8.012 8.280 0.236 0.000 0.515 65 G N -2.008 106.906 108.800 0.190 0.000 3.102 65 G HA2 -0.084 nan 3.960 nan 0.000 0.264 65 G HA3 -0.084 nan 3.960 nan 0.000 0.264 65 G C -1.790 173.163 174.900 0.088 0.000 0.788 65 G CA -0.276 44.896 45.100 0.120 0.000 2.029 65 G HN -0.501 7.897 8.290 0.180 0.000 0.608 66 A N 2.724 125.600 122.820 0.093 0.000 2.468 66 A HA 0.607 nan 4.320 nan 0.000 0.277 66 A C -1.007 176.614 177.584 0.062 0.000 1.203 66 A CA -1.244 50.838 52.037 0.075 0.000 0.932 66 A CB 2.016 21.072 19.000 0.094 0.000 1.438 66 A HN -0.020 8.166 8.150 0.113 0.032 0.468 67 K N -0.869 119.563 120.400 0.054 0.000 2.183 67 K HA 0.086 nan 4.320 nan 0.000 0.218 67 K C -0.517 176.119 176.600 0.059 0.000 1.025 67 K CA 0.629 56.946 56.287 0.051 0.000 0.944 67 K CB 0.917 33.444 32.500 0.045 0.000 0.936 67 K HN 0.462 8.934 8.250 0.050 -0.191 0.460 68 D N -4.163 116.270 120.400 0.056 0.000 2.812 68 D HA 0.011 nan 4.640 nan 0.000 0.318 68 D C -0.023 176.308 176.300 0.052 0.000 1.234 68 D CA -1.045 53.010 54.000 0.092 0.000 0.989 68 D CB 0.974 41.843 40.800 0.114 0.000 1.442 68 D HN -0.592 7.801 8.370 0.039 0.000 0.537 69 F N -0.424 119.579 119.950 0.087 0.000 2.202 69 F HA -0.292 nan 4.527 nan 0.000 0.301 69 F C 1.061 176.980 175.800 0.199 0.000 1.082 69 F CA 3.171 61.249 58.000 0.131 0.000 1.313 69 F CB 0.449 39.493 39.000 0.073 0.000 1.024 69 F HN 0.234 8.753 8.300 0.364 0.000 0.495 70 N N -1.051 117.592 118.700 -0.096 0.000 2.132 70 N HA -0.253 nan 4.740 nan 0.000 0.187 70 N C 1.563 176.986 175.510 -0.146 0.000 1.038 70 N CA 2.986 55.972 53.050 -0.107 0.000 0.846 70 N CB -0.322 38.188 38.487 0.039 0.000 1.012 70 N HN -0.566 8.232 8.380 0.083 -0.369 0.429 71 D N 0.841 121.206 120.400 -0.059 0.000 2.182 71 D HA -0.285 nan 4.640 nan 0.000 0.201 71 D C 1.918 178.172 176.300 -0.077 0.000 0.986 71 D CA 3.101 57.087 54.000 -0.022 0.000 0.847 71 D CB 0.086 40.898 40.800 0.020 0.000 0.942 71 D HN -0.412 8.276 8.370 -0.020 -0.330 0.467 72 F N 0.631 120.389 119.950 -0.320 0.000 2.091 72 F HA -0.386 nan 4.527 nan 0.000 0.299 72 F C 1.332 176.877 175.800 -0.426 0.000 1.103 72 F CA 3.398 61.148 58.000 -0.415 0.000 1.228 72 F CB 0.094 38.707 39.000 -0.645 0.000 0.984 72 F HN -0.086 8.166 8.300 -0.066 0.009 0.477 73 I N -2.084 118.046 120.570 -0.734 0.000 2.252 73 I HA -0.529 nan 4.170 nan 0.000 0.245 73 I C 1.973 177.887 176.117 -0.338 0.000 1.102 73 I CA 2.236 63.153 61.300 -0.638 0.000 1.385 73 I CB -1.565 36.150 38.000 -0.476 0.000 1.064 73 I HN -0.458 7.285 8.210 -0.611 0.100 0.414 74 H N 1.315 120.232 119.070 -0.256 0.000 2.321 74 H HA -0.294 nan 4.556 nan 0.000 0.300 74 H C 2.313 177.559 175.328 -0.137 0.000 1.087 74 H CA 3.529 59.485 56.048 -0.152 0.000 1.319 74 H CB 0.055 29.757 29.762 -0.100 0.000 1.379 74 H HN -0.427 7.776 8.280 -0.128 0.000 0.501 75 L N -1.155 119.822 121.223 -0.410 0.000 2.043 75 L HA -0.390 nan 4.340 nan 0.000 0.212 75 L C 1.573 178.301 176.870 -0.236 0.000 1.075 75 L CA 3.632 58.273 54.840 -0.332 0.000 0.752 75 L CB -0.521 41.425 42.059 -0.187 0.000 0.891 75 L HN -0.118 7.959 8.230 -0.254 0.000 0.432 76 C N -1.739 117.410 119.300 -0.252 0.000 2.432 76 C HA -0.374 nan 4.460 nan 0.000 0.280 76 C C 2.268 177.248 174.990 -0.015 0.000 1.353 76 C CA 3.085 62.112 59.018 0.016 0.000 1.766 76 C CB -2.216 25.350 27.740 -0.290 0.000 1.924 76 C HN -0.268 7.624 8.230 -0.418 0.088 0.509 77 E N 0.559 120.661 120.200 -0.163 0.000 2.031 77 E HA -0.443 nan 4.350 nan 0.000 0.193 77 E C 1.605 178.074 176.600 -0.218 0.000 0.994 77 E CA 3.245 59.561 56.400 -0.140 0.000 0.800 77 E CB -0.311 29.354 29.700 -0.058 0.000 0.752 77 E HN 0.130 8.257 8.360 -0.229 0.095 0.447 78 Q N -1.165 118.450 119.800 -0.308 0.000 1.969 78 Q HA -0.204 nan 4.340 nan 0.000 0.198 78 Q C 2.556 178.396 176.000 -0.267 0.000 0.978 78 Q CA 2.692 58.332 55.803 -0.272 0.000 0.830 78 Q CB 0.341 28.872 28.738 -0.345 0.000 0.896 78 Q HN -0.319 7.695 8.270 -0.427 0.000 0.431 79 A N -0.977 121.692 122.820 -0.252 0.000 1.978 79 A HA -0.303 nan 4.320 nan 0.000 0.220 79 A C 1.925 179.200 177.584 -0.514 0.000 1.170 79 A CA 3.155 55.046 52.037 -0.243 0.000 0.636 79 A CB -0.986 17.997 19.000 -0.028 0.000 0.810 79 A HN 0.124 8.147 8.150 -0.211 0.000 0.448 80 R N -2.075 117.856 120.500 -0.949 0.000 2.127 80 R HA -0.329 nan 4.340 nan 0.000 0.238 80 R C 2.548 178.527 176.300 -0.536 0.000 1.134 80 R CA 2.770 58.177 56.100 -1.154 0.000 0.975 80 R CB -0.349 29.311 30.300 -1.067 0.000 0.865 80 R HN 0.095 7.854 8.270 -0.795 0.034 0.447 81 Q N -2.215 117.373 119.800 -0.354 0.000 2.368 81 Q HA -0.270 nan 4.340 nan 0.000 0.210 81 Q C 1.183 177.074 176.000 -0.181 0.000 0.982 81 Q CA 2.731 58.402 55.803 -0.221 0.000 0.884 81 Q CB 0.058 28.701 28.738 -0.159 0.000 0.933 81 Q HN 0.048 7.962 8.270 -0.350 0.146 0.460 82 I N -5.576 114.874 120.570 -0.200 0.000 4.433 82 I HA 0.074 nan 4.170 nan 0.000 0.322 82 I C -2.068 173.956 176.117 -0.156 0.000 1.284 82 I CA -0.280 60.930 61.300 -0.149 0.000 1.269 82 I CB 2.263 40.192 38.000 -0.118 0.000 1.219 82 I HN -0.685 7.318 8.210 -0.253 0.055 0.436 83 V N -5.352 114.441 119.914 -0.201 0.000 3.083 83 V HA 0.096 nan 4.120 nan 0.000 0.306 83 V C -0.979 175.031 176.094 -0.140 0.000 1.077 83 V CA -2.591 59.610 62.300 -0.165 0.000 1.073 83 V CB 0.626 32.368 31.823 -0.134 0.000 1.081 83 V HN -0.954 7.069 8.190 -0.278 0.000 0.474 84 N N -0.187 118.420 118.700 -0.155 0.000 2.399 84 N HA -0.200 nan 4.740 nan 0.000 0.284 84 N C 1.190 176.663 175.510 -0.061 0.000 1.283 84 N CA 0.405 53.365 53.050 -0.150 0.000 0.972 84 N CB -0.347 37.971 38.487 -0.281 0.000 1.328 84 N HN 0.241 8.506 8.380 -0.192 0.000 0.486 85 E N 6.165 126.372 120.200 0.012 0.000 2.169 85 E HA -0.405 nan 4.350 nan 0.000 0.202 85 E C 1.761 178.499 176.600 0.229 0.000 1.016 85 E CA 2.953 59.434 56.400 0.134 0.000 0.817 85 E CB -1.426 28.351 29.700 0.127 0.000 0.736 85 E HN 0.219 8.569 8.360 -0.017 0.000 0.462 86 G N -0.888 107.994 108.800 0.138 0.000 2.469 86 G HA2 -0.283 nan 3.960 nan 0.000 0.219 86 G HA3 -0.283 nan 3.960 nan 0.000 0.219 86 G C 1.526 176.590 174.900 0.274 0.000 1.150 86 G CA 1.764 46.970 45.100 0.176 0.000 0.763 86 G HN 0.334 8.648 8.290 0.067 0.017 0.561 87 M N 1.955 121.597 119.600 0.070 0.000 2.156 87 M HA -0.286 nan 4.480 nan 0.000 0.264 87 M C 0.977 177.417 176.300 0.233 0.000 1.067 87 M CA 3.249 58.576 55.300 0.046 0.000 1.131 87 M CB 0.119 32.544 32.600 -0.292 0.000 1.368 87 M HN -0.096 8.043 8.290 -0.056 0.117 0.416 88 F N -0.090 119.904 119.950 0.074 0.000 2.069 88 F HA -0.427 nan 4.527 nan 0.000 0.298 88 F C 1.452 177.395 175.800 0.238 0.000 1.113 88 F CA 4.369 62.430 58.000 0.101 0.000 1.214 88 F CB -0.097 38.916 39.000 0.022 0.000 0.978 88 F HN -0.527 7.877 8.300 0.274 0.060 0.474 89 V N -0.492 119.660 119.914 0.397 0.000 2.392 89 V HA -0.485 nan 4.120 nan 0.000 0.249 89 V C 1.035 177.427 176.094 0.498 0.000 1.059 89 V CA 4.173 66.765 62.300 0.487 0.000 1.051 89 V CB -0.907 31.324 31.823 0.680 0.000 0.658 89 V HN 0.455 8.932 8.190 0.477 0.000 0.455 90 Y N 0.561 121.103 120.300 0.403 0.000 2.224 90 Y HA -0.476 nan 4.550 nan 0.000 0.289 90 Y C 1.261 177.298 175.900 0.228 0.000 1.146 90 Y CA 4.079 62.379 58.100 0.333 0.000 1.182 90 Y CB -0.348 38.264 38.460 0.253 0.000 0.983 90 Y HN -0.485 8.103 8.280 0.633 0.071 0.524 91 A N -1.196 121.802 122.820 0.297 0.000 1.874 91 A HA -0.287 nan 4.320 nan 0.000 0.214 91 A C 1.798 179.382 177.584 0.000 0.000 1.189 91 A CA 3.064 55.215 52.037 0.189 0.000 0.615 91 A CB -0.489 18.559 19.000 0.080 0.000 0.830 91 A HN 0.178 8.416 8.150 0.306 0.096 0.443 92 V N -4.360 115.483 119.914 -0.118 0.000 2.515 92 V HA -0.363 nan 4.120 nan 0.000 0.250 92 V C 1.923 178.088 176.094 0.117 0.000 1.058 92 V CA 3.764 66.042 62.300 -0.038 0.000 1.064 92 V CB -1.221 30.539 31.823 -0.105 0.000 0.675 92 V HN 0.431 8.495 8.190 -0.209 0.000 0.461 93 S N -0.038 115.742 115.700 0.133 0.000 2.414 93 S HA -0.167 nan 4.470 nan 0.000 0.227 93 S C 1.964 176.576 174.600 0.021 0.000 1.022 93 S CA 3.139 61.403 58.200 0.107 0.000 0.958 93 S CB 0.001 63.328 63.200 0.211 0.000 0.797 93 S HN 0.025 8.331 8.310 0.169 0.106 0.493 94 V N 2.017 121.937 119.914 0.010 0.000 2.515 94 V HA -0.373 nan 4.120 nan 0.000 0.250 94 V C 1.515 177.778 176.094 0.282 0.000 1.058 94 V CA 3.545 65.919 62.300 0.123 0.000 1.064 94 V CB -1.066 30.822 31.823 0.108 0.000 0.675 94 V HN -0.290 7.891 8.190 -0.015 0.000 0.461 95 A N -0.074 122.838 122.820 0.154 0.000 1.855 95 A HA -0.177 nan 4.320 nan 0.000 0.215 95 A C 2.220 179.839 177.584 0.059 0.000 1.191 95 A CA 3.723 55.822 52.037 0.104 0.000 0.613 95 A CB -0.328 18.691 19.000 0.032 0.000 0.829 95 A HN 0.199 8.403 8.150 0.089 0.000 0.442 96 V N -2.134 117.835 119.914 0.091 0.000 3.620 96 V HA -0.101 nan 4.120 nan 0.000 0.286 96 V C 0.526 176.597 176.094 -0.038 0.000 1.288 96 V CA 1.708 64.065 62.300 0.096 0.000 1.178 96 V CB -1.077 30.932 31.823 0.311 0.000 0.986 96 V HN -0.008 8.152 8.190 0.126 0.106 0.431 97 L N -1.764 119.357 121.223 -0.170 0.000 2.253 97 L HA 0.001 nan 4.340 nan 0.000 0.205 97 L C 0.699 177.322 176.870 -0.411 0.000 1.078 97 L CA 2.376 56.959 54.840 -0.428 0.000 0.805 97 L CB 1.148 42.703 42.059 -0.839 0.000 0.963 97 L HN -0.617 7.496 8.230 -0.129 0.040 0.459 98 H N -6.299 112.792 119.070 0.034 0.000 3.233 98 H HA 0.205 nan 4.556 nan 0.000 0.263 98 H C -0.774 174.640 175.328 0.143 0.000 1.168 98 H CA -0.361 55.732 56.048 0.076 0.000 1.159 98 H CB 1.764 31.612 29.762 0.143 0.000 1.593 98 H HN -0.112 8.039 8.280 0.009 0.134 0.580 99 R N 0.494 121.102 120.500 0.181 0.000 2.295 99 R HA 0.307 nan 4.340 nan 0.000 0.324 99 R C 0.553 176.891 176.300 0.065 0.000 0.968 99 R CA -1.821 54.359 56.100 0.132 0.000 0.837 99 R CB 0.110 30.482 30.300 0.119 0.000 1.133 99 R HN -0.597 7.729 8.270 0.094 0.000 0.450 100 E N 3.327 123.576 120.200 0.081 0.000 2.533 100 E HA -0.216 nan 4.350 nan 0.000 0.201 100 E C -0.043 176.589 176.600 0.053 0.000 1.097 100 E CA 1.245 57.681 56.400 0.060 0.000 0.887 100 E CB -0.703 29.031 29.700 0.057 0.000 0.855 100 E HN 0.586 9.000 8.360 0.090 0.000 0.540 101 D N -2.914 117.549 120.400 0.105 0.000 2.336 101 D HA 0.029 nan 4.640 nan 0.000 0.228 101 D C 0.198 176.537 176.300 0.064 0.000 1.120 101 D CA 0.317 54.408 54.000 0.151 0.000 0.839 101 D CB -0.465 40.513 40.800 0.297 0.000 0.932 101 D HN -0.280 8.076 8.370 0.118 0.085 0.509 102 C N -2.205 117.066 119.300 -0.048 0.000 3.491 102 C HA 0.074 nan 4.460 nan 0.000 0.298 102 C C -0.572 174.227 174.990 -0.319 0.000 1.424 102 C CA -1.275 57.596 59.018 -0.244 0.000 1.772 102 C CB 1.179 28.940 27.740 0.034 0.000 2.447 102 C HN -0.239 7.902 8.230 -0.019 0.078 0.670 103 K N 1.727 121.985 120.400 -0.236 0.000 2.511 103 K HA -0.380 nan 4.320 nan 0.000 0.280 103 K C 0.859 177.291 176.600 -0.281 0.000 1.008 103 K CA 2.347 58.504 56.287 -0.218 0.000 1.050 103 K CB -0.339 32.064 32.500 -0.161 0.000 0.889 103 K HN -0.253 7.880 8.250 -0.195 0.000 0.484 104 G N 3.809 112.434 108.800 -0.292 0.000 2.176 104 G HA2 -0.436 nan 3.960 nan 0.000 0.253 104 G HA3 -0.436 nan 3.960 nan 0.000 0.253 104 G C -0.385 174.300 174.900 -0.359 0.000 0.979 104 G CA -0.005 44.887 45.100 -0.347 0.000 0.641 104 G HN 0.337 8.412 8.290 -0.266 0.055 0.530 105 I N 1.839 122.211 120.570 -0.329 0.000 2.325 105 I HA 0.212 nan 4.170 nan 0.000 0.291 105 I C -1.203 174.782 176.117 -0.221 0.000 1.019 105 I CA -1.229 59.913 61.300 -0.264 0.000 1.302 105 I CB 0.794 38.666 38.000 -0.213 0.000 1.401 105 I HN -0.609 7.355 8.210 -0.322 0.053 0.485 106 T N 8.880 123.296 114.554 -0.230 0.000 2.875 106 T HA 0.080 nan 4.350 nan 0.000 0.284 106 T C -0.462 174.132 174.700 -0.178 0.000 0.995 106 T CA -1.252 60.731 62.100 -0.196 0.000 1.060 106 T CB 1.157 69.920 68.868 -0.175 0.000 0.967 106 T HN -0.382 7.983 8.240 -0.230 -0.263 0.476 107 V N 4.995 124.824 119.914 -0.143 0.000 2.521 107 V HA 0.034 nan 4.120 nan 0.000 0.286 107 V C -1.111 174.869 176.094 -0.191 0.000 1.034 107 V CA -2.533 59.678 62.300 -0.149 0.000 1.045 107 V CB -0.725 31.053 31.823 -0.073 0.000 0.974 107 V HN 0.442 8.561 8.190 -0.119 0.000 0.480 108 P HA 0.084 nan 4.420 nan 0.000 0.260 108 P C -2.656 174.655 177.300 0.018 0.000 1.185 108 P CA -0.908 62.032 63.100 -0.266 0.000 0.763 108 P CB 0.147 31.538 31.700 -0.514 0.000 0.776 109 P HA -0.018 nan 4.420 nan 0.000 0.261 109 P C 0.933 178.307 177.300 0.124 0.000 1.203 109 P CA 0.016 63.193 63.100 0.127 0.000 0.767 109 P CB 0.256 32.012 31.700 0.093 0.000 0.785 110 I N 0.346 120.995 120.570 0.131 0.000 2.423 110 I HA -0.526 nan 4.170 nan 0.000 0.254 110 I C 0.947 177.071 176.117 0.011 0.000 1.151 110 I CA 3.538 64.891 61.300 0.088 0.000 1.421 110 I CB -0.380 37.564 38.000 -0.093 0.000 1.079 110 I HN 0.427 8.767 8.210 0.218 0.000 0.431 111 Q N -1.564 118.068 119.800 -0.280 0.000 2.172 111 Q HA -0.279 nan 4.340 nan 0.000 0.200 111 Q C 1.231 177.038 176.000 -0.322 0.000 0.964 111 Q CA 3.104 58.427 55.803 -0.800 0.000 0.855 111 Q CB -0.689 27.490 28.738 -0.931 0.000 0.918 111 Q HN 0.228 8.334 8.270 -0.175 0.059 0.444 112 E N -2.660 117.454 120.200 -0.143 0.000 2.216 112 E HA -0.038 nan 4.350 nan 0.000 0.192 112 E C 1.433 178.013 176.600 -0.032 0.000 0.973 112 E CA 1.509 57.866 56.400 -0.071 0.000 0.851 112 E CB 1.342 30.989 29.700 -0.088 0.000 0.804 112 E HN -0.428 7.739 8.360 -0.109 0.128 0.477 113 V N -5.827 114.089 119.914 0.004 0.000 2.788 113 V HA -0.094 nan 4.120 nan 0.000 0.251 113 V C -0.121 175.750 176.094 -0.372 0.000 1.068 113 V CA 1.924 64.151 62.300 -0.122 0.000 1.090 113 V CB 0.276 32.111 31.823 0.022 0.000 0.710 113 V HN -0.108 8.014 8.190 0.066 0.107 0.467 114 F N -1.581 118.433 119.950 0.107 0.000 2.660 114 F HA 0.586 nan 4.527 nan 0.000 0.352 114 F C -1.499 174.419 175.800 0.196 0.000 1.257 114 F CA -3.601 54.482 58.000 0.138 0.000 1.200 114 F CB 1.208 40.287 39.000 0.131 0.000 1.473 114 F HN -0.414 7.875 8.300 0.171 0.114 0.561 115 P HA -0.142 nan 4.420 nan 0.000 0.226 115 P C 0.636 178.138 177.300 0.336 0.000 1.153 115 P CA 1.956 65.203 63.100 0.244 0.000 0.777 115 P CB 0.037 31.813 31.700 0.126 0.000 0.794 116 D N -1.387 119.202 120.400 0.315 0.000 2.123 116 D HA -0.336 nan 4.640 nan 0.000 0.196 116 D C 0.388 176.823 176.300 0.224 0.000 0.992 116 D CA 2.677 56.834 54.000 0.261 0.000 0.833 116 D CB -1.751 39.214 40.800 0.275 0.000 0.954 116 D HN 0.442 8.958 8.370 0.351 0.065 0.455 117 R N -3.451 117.178 120.500 0.214 0.000 2.339 117 R HA -0.130 nan 4.340 nan 0.000 0.199 117 R C 0.495 176.621 176.300 -0.290 0.000 1.018 117 R CA 1.298 57.360 56.100 -0.063 0.000 1.036 117 R CB -0.567 29.643 30.300 -0.150 0.000 0.899 117 R HN -0.296 8.160 8.270 0.311 0.000 0.473 118 F N -2.808 117.138 119.950 -0.006 0.000 2.592 118 F HA 0.089 nan 4.527 nan 0.000 0.280 118 F C -0.526 175.258 175.800 -0.027 0.000 1.083 118 F CA 2.439 60.414 58.000 -0.043 0.000 1.365 118 F CB 2.273 41.237 39.000 -0.060 0.000 1.100 118 F HN -0.361 7.943 8.300 0.336 0.198 0.633 119 V N -6.134 113.896 119.914 0.194 0.000 3.096 119 V HA 0.532 nan 4.120 nan 0.000 0.319 119 V C -2.507 173.661 176.094 0.124 0.000 1.103 119 V CA -4.049 58.335 62.300 0.140 0.000 1.016 119 V CB -0.200 31.707 31.823 0.141 0.000 1.090 119 V HN -0.546 7.781 8.190 0.227 0.000 0.449 120 P HA -0.033 nan 4.420 nan 0.000 0.267 120 P C -0.507 176.860 177.300 0.111 0.000 1.209 120 P CA 0.017 63.183 63.100 0.110 0.000 0.763 120 P CB -0.121 31.625 31.700 0.075 0.000 0.816 121 A N 6.908 129.801 122.820 0.121 0.000 1.954 121 A HA -0.477 nan 4.320 nan 0.000 0.222 121 A C 1.841 179.479 177.584 0.090 0.000 1.199 121 A CA 3.583 55.686 52.037 0.109 0.000 0.657 121 A CB -0.546 18.518 19.000 0.107 0.000 0.823 121 A HN 0.868 8.992 8.150 0.135 0.106 0.463 122 E N -3.117 117.133 120.200 0.083 0.000 2.038 122 E HA -0.365 nan 4.350 nan 0.000 0.195 122 E C 2.126 178.767 176.600 0.069 0.000 1.000 122 E CA 3.342 59.782 56.400 0.067 0.000 0.803 122 E CB -0.331 29.401 29.700 0.054 0.000 0.750 122 E HN 0.242 8.647 8.360 0.091 0.009 0.448 123 T N 0.828 115.429 114.554 0.077 0.000 3.085 123 T HA -0.048 nan 4.350 nan 0.000 0.263 123 T C 2.458 177.209 174.700 0.086 0.000 1.127 123 T CA 2.616 64.765 62.100 0.081 0.000 1.103 123 T CB -0.765 68.157 68.868 0.091 0.000 0.921 123 T HN -0.409 7.787 8.240 0.082 0.092 0.510 124 I N 2.753 123.377 120.570 0.091 0.000 2.193 124 I HA -0.506 nan 4.170 nan 0.000 0.240 124 I C 0.928 177.092 176.117 0.078 0.000 1.084 124 I CA 4.073 65.428 61.300 0.092 0.000 1.365 124 I CB -0.268 37.794 38.000 0.103 0.000 1.064 124 I HN -0.282 7.961 8.210 0.094 0.024 0.410 125 N N -0.373 118.370 118.700 0.072 0.000 2.149 125 N HA -0.371 nan 4.740 nan 0.000 0.188 125 N C 2.548 178.091 175.510 0.056 0.000 1.019 125 N CA 3.843 56.929 53.050 0.059 0.000 0.857 125 N CB 0.173 38.694 38.487 0.055 0.000 0.997 125 N HN -0.115 8.310 8.380 0.076 0.000 0.426 126 R N -1.344 119.192 120.500 0.060 0.000 2.057 126 R HA -0.243 nan 4.340 nan 0.000 0.229 126 R C 1.747 178.085 176.300 0.064 0.000 1.136 126 R CA 3.268 59.403 56.100 0.058 0.000 0.952 126 R CB -0.151 30.184 30.300 0.058 0.000 0.848 126 R HN 0.401 8.592 8.270 0.063 0.118 0.430 127 A N -0.897 121.963 122.820 0.068 0.000 1.883 127 A HA -0.330 nan 4.320 nan 0.000 0.217 127 A C 2.229 179.858 177.584 0.075 0.000 1.186 127 A CA 3.098 55.178 52.037 0.071 0.000 0.624 127 A CB -0.936 18.109 19.000 0.075 0.000 0.822 127 A HN -0.564 7.628 8.150 0.070 0.000 0.444 128 N N -1.784 116.959 118.700 0.071 0.000 2.021 128 N HA -0.394 nan 4.740 nan 0.000 0.198 128 N C 2.222 177.765 175.510 0.055 0.000 1.041 128 N CA 3.065 56.152 53.050 0.062 0.000 0.862 128 N CB -0.582 37.937 38.487 0.053 0.000 1.048 128 N HN -0.219 8.204 8.380 0.072 0.000 0.427 129 K N 0.104 120.535 120.400 0.051 0.000 2.209 129 K HA -0.299 nan 4.320 nan 0.000 0.204 129 K C 2.691 179.323 176.600 0.054 0.000 1.048 129 K CA 2.943 59.256 56.287 0.042 0.000 0.940 129 K CB 0.002 32.525 32.500 0.037 0.000 0.729 129 K HN 0.036 8.138 8.250 0.053 0.180 0.451 130 E N -0.598 119.650 120.200 0.079 0.000 2.152 130 E HA -0.283 nan 4.350 nan 0.000 0.192 130 E C 1.991 178.674 176.600 0.138 0.000 0.983 130 E CA 2.750 59.226 56.400 0.127 0.000 0.818 130 E CB -0.155 29.622 29.700 0.129 0.000 0.758 130 E HN 0.116 8.398 8.360 0.075 0.124 0.467 131 A N -0.915 121.965 122.820 0.100 0.000 1.933 131 A HA -0.194 nan 4.320 nan 0.000 0.218 131 A C 1.535 179.159 177.584 0.067 0.000 1.175 131 A CA 3.023 55.116 52.037 0.094 0.000 0.628 131 A CB -0.537 18.518 19.000 0.092 0.000 0.814 131 A HN -0.277 7.927 8.150 0.089 0.000 0.444 132 S N -2.623 113.103 115.700 0.043 0.000 2.453 132 S HA -0.148 nan 4.470 nan 0.000 0.231 132 S C 1.334 175.925 174.600 -0.015 0.000 1.005 132 S CA 2.078 60.286 58.200 0.014 0.000 0.949 132 S CB 0.294 63.498 63.200 0.007 0.000 0.774 132 S HN -0.370 7.968 8.310 0.046 0.000 0.510 133 N N -0.175 118.512 118.700 -0.021 0.000 2.333 133 N HA -0.085 nan 4.740 nan 0.000 0.178 133 N C 0.088 175.384 175.510 -0.357 0.000 1.018 133 N CA 1.413 54.364 53.050 -0.164 0.000 0.882 133 N CB 1.002 39.395 38.487 -0.158 0.000 0.984 133 N HN -0.377 7.780 8.380 0.031 0.242 0.434 134 H N -1.362 117.718 119.070 0.016 0.000 2.854 134 H HA 0.368 nan 4.556 nan 0.000 0.275 134 H C -2.337 173.002 175.328 0.018 0.000 1.198 134 H CA -2.665 53.392 56.048 0.015 0.000 1.489 134 H CB 0.460 30.230 29.762 0.014 0.000 1.519 134 H HN -0.156 8.201 8.280 0.128 0.000 0.503 135 P HA -0.058 nan 4.420 nan 0.000 0.259 135 P C -1.519 175.822 177.300 0.068 0.000 1.635 135 P CA 0.465 63.605 63.100 0.066 0.000 1.199 135 P CB -0.521 31.200 31.700 0.036 0.000 1.850 136 D N 1.828 122.274 120.400 0.077 0.000 2.579 136 D HA 0.132 nan 4.640 nan 0.000 0.257 136 D C -0.691 175.636 176.300 0.045 0.000 1.176 136 D CA -1.193 52.840 54.000 0.056 0.000 0.914 136 D CB 2.622 43.455 40.800 0.055 0.000 1.431 136 D HN -0.519 7.884 8.370 0.091 0.021 0.454 137 Q N -1.136 118.679 119.800 0.025 0.000 2.451 137 Q HA -0.089 nan 4.340 nan 0.000 0.206 137 Q C 0.041 176.032 176.000 -0.015 0.000 0.947 137 Q CA 0.300 56.107 55.803 0.007 0.000 0.937 137 Q CB 0.418 29.156 28.738 0.001 0.000 1.025 137 Q HN 0.322 8.605 8.270 0.022 0.000 0.511 138 Q N 0.785 120.578 119.800 -0.013 0.000 2.286 138 Q HA -0.183 nan 4.340 nan 0.000 0.290 138 Q C -0.857 175.124 176.000 -0.032 0.000 1.049 138 Q CA 0.737 56.522 55.803 -0.030 0.000 0.923 138 Q CB 0.426 29.137 28.738 -0.045 0.000 1.183 138 Q HN -0.668 7.819 8.270 -0.003 -0.220 0.383 139 S N 3.676 119.350 115.700 -0.043 0.000 2.576 139 S HA 0.206 nan 4.470 nan 0.000 0.272 139 S C -0.909 173.674 174.600 -0.028 0.000 1.352 139 S CA 0.788 58.963 58.200 -0.042 0.000 1.021 139 S CB 0.460 63.633 63.200 -0.045 0.000 0.887 139 S HN 0.219 8.502 8.310 -0.045 0.000 0.542 140 I N 0.557 121.120 120.570 -0.012 0.000 2.545 140 I HA 0.280 nan 4.170 nan 0.000 0.292 140 I C -2.161 173.959 176.117 0.004 0.000 1.040 140 I CA -0.601 60.699 61.300 0.000 0.000 1.068 140 I CB 3.303 41.320 38.000 0.027 0.000 1.251 140 I HN 0.562 8.766 8.210 -0.010 0.000 0.424 141 V N 6.426 126.342 119.914 0.002 0.000 2.577 141 V HA 0.601 nan 4.120 nan 0.000 0.303 141 V C -1.827 174.276 176.094 0.016 0.000 1.042 141 V CA -1.682 60.621 62.300 0.004 0.000 0.872 141 V CB 2.087 33.901 31.823 -0.015 0.000 0.998 141 V HN 0.151 8.341 8.190 -0.001 0.000 0.423 142 V N 7.856 127.788 119.914 0.029 0.000 2.604 142 V HA 0.408 nan 4.120 nan 0.000 0.305 142 V C -1.742 174.380 176.094 0.047 0.000 1.043 142 V CA -1.625 60.701 62.300 0.043 0.000 0.888 142 V CB 3.393 35.250 31.823 0.057 0.000 0.995 142 V HN 0.775 8.984 8.190 0.032 0.000 0.429 143 E N 5.713 125.946 120.200 0.055 0.000 2.105 143 E HA 0.149 nan 4.350 nan 0.000 0.285 143 E C 0.353 177.019 176.600 0.110 0.000 1.055 143 E CA -0.881 55.566 56.400 0.079 0.000 0.843 143 E CB 0.624 30.385 29.700 0.101 0.000 1.067 143 E HN 0.458 8.850 8.360 0.053 0.000 0.398 144 A N 8.193 131.091 122.820 0.130 0.000 2.019 144 A HA -0.241 nan 4.320 nan 0.000 0.219 144 A C 0.861 178.544 177.584 0.165 0.000 1.164 144 A CA 2.603 54.732 52.037 0.152 0.000 0.644 144 A CB -0.498 18.621 19.000 0.198 0.000 0.805 144 A HN 0.846 8.955 8.150 0.109 0.106 0.449 145 E N -2.013 118.319 120.200 0.219 0.000 2.164 145 E HA -0.354 nan 4.350 nan 0.000 0.206 145 E C -0.063 176.610 176.600 0.123 0.000 1.032 145 E CA 1.886 58.407 56.400 0.202 0.000 0.832 145 E CB 0.069 29.872 29.700 0.172 0.000 0.742 145 E HN 0.153 8.623 8.360 0.259 0.045 0.460 146 E N -4.872 115.375 120.200 0.078 0.000 8.880 146 E HA -0.257 nan 4.350 nan 0.000 0.183 146 E C -1.254 175.354 176.600 0.013 0.000 1.450 146 E CA 0.657 57.073 56.400 0.027 0.000 2.521 146 E CB 0.232 29.921 29.700 -0.019 0.000 1.229 146 E HN -0.373 8.005 8.360 0.088 0.035 0.443 147 T N 0.136 114.679 114.554 -0.019 0.000 3.172 147 T HA 0.610 nan 4.350 nan 0.000 0.320 147 T C -1.192 173.477 174.700 -0.053 0.000 1.085 147 T CA 0.157 62.243 62.100 -0.024 0.000 1.052 147 T CB 1.885 70.749 68.868 -0.007 0.000 1.107 147 T HN 0.463 8.683 8.240 -0.032 0.000 0.458 148 G N 2.213 110.969 108.800 -0.074 0.000 2.579 148 G HA2 -0.018 nan 3.960 nan 0.000 0.292 148 G HA3 -0.018 nan 3.960 nan 0.000 0.292 148 G C -2.134 172.711 174.900 -0.093 0.000 1.484 148 G CA -0.064 44.981 45.100 -0.092 0.000 0.813 148 G HN -0.225 8.026 8.290 -0.066 0.000 0.515 149 N N 0.816 119.474 118.700 -0.069 0.000 2.400 149 N HA 0.023 nan 4.740 nan 0.000 0.267 149 N C 0.111 175.582 175.510 -0.066 0.000 1.208 149 N CA -0.731 52.289 53.050 -0.050 0.000 0.951 149 N CB -0.031 38.439 38.487 -0.028 0.000 1.227 149 N HN 0.071 8.415 8.380 -0.060 0.000 0.488 150 I N 6.491 127.027 120.570 -0.058 0.000 2.455 150 I HA -0.180 nan 4.170 nan 0.000 0.303 150 I C 0.229 176.353 176.117 0.011 0.000 1.180 150 I CA 0.644 61.921 61.300 -0.039 0.000 1.469 150 I CB -1.278 36.748 38.000 0.042 0.000 1.480 150 I HN 0.273 8.457 8.210 -0.043 0.000 0.669 151 L N 6.408 127.633 121.223 0.004 0.000 2.131 151 L HA -0.155 nan 4.340 nan 0.000 0.206 151 L C 0.682 177.581 176.870 0.049 0.000 1.087 151 L CA 1.275 56.129 54.840 0.024 0.000 0.767 151 L CB -0.394 41.676 42.059 0.017 0.000 0.917 151 L HN -0.046 8.135 8.230 -0.021 0.037 0.441 152 D N -0.936 119.505 120.400 0.067 0.000 2.308 152 D HA 0.212 nan 4.640 nan 0.000 0.251 152 D C -0.636 175.742 176.300 0.131 0.000 1.127 152 D CA -2.182 51.879 54.000 0.102 0.000 0.876 152 D CB 1.212 42.089 40.800 0.129 0.000 1.176 152 D HN -0.504 7.862 8.370 0.052 0.035 0.446 153 P HA -0.173 nan 4.420 nan 0.000 0.216 153 P C 0.909 178.271 177.300 0.105 0.000 1.153 153 P CA 1.771 64.925 63.100 0.090 0.000 0.848 153 P CB 0.454 32.188 31.700 0.057 0.000 0.787 154 E N -2.304 117.970 120.200 0.123 0.000 2.204 154 E HA -0.248 nan 4.350 nan 0.000 0.194 154 E C 2.006 178.686 176.600 0.134 0.000 0.989 154 E CA 2.003 58.470 56.400 0.112 0.000 0.824 154 E CB -0.469 29.310 29.700 0.131 0.000 0.756 154 E HN -0.440 8.383 8.360 0.133 -0.383 0.477 155 Y N 0.665 121.020 120.300 0.091 0.000 2.283 155 Y HA -0.409 nan 4.550 nan 0.000 0.285 155 Y C 1.822 177.766 175.900 0.073 0.000 1.176 155 Y CA 2.710 60.869 58.100 0.098 0.000 1.229 155 Y CB -0.149 38.366 38.460 0.091 0.000 0.975 155 Y HN -0.318 8.396 8.280 0.319 -0.242 0.537 156 K N -1.135 119.202 120.400 -0.106 0.000 2.015 156 K HA -0.418 nan 4.320 nan 0.000 0.216 156 K C 1.995 178.493 176.600 -0.171 0.000 1.052 156 K CA 2.960 59.179 56.287 -0.113 0.000 0.937 156 K CB -0.570 31.938 32.500 0.013 0.000 0.719 156 K HN -0.502 7.764 8.250 0.062 0.022 0.446 157 L N -3.194 117.881 121.223 -0.247 0.000 2.622 157 L HA -0.113 nan 4.340 nan 0.000 0.233 157 L C 1.051 177.611 176.870 -0.516 0.000 1.156 157 L CA 1.176 55.674 54.840 -0.571 0.000 0.866 157 L CB -0.954 40.937 42.059 -0.280 0.000 0.980 157 L HN -0.141 7.913 8.230 -0.128 0.099 0.448 158 S N 0.231 115.750 115.700 -0.302 0.000 2.603 158 S HA -0.204 nan 4.470 nan 0.000 0.229 158 S C 1.317 175.868 174.600 -0.082 0.000 0.972 158 S CA 2.505 60.617 58.200 -0.146 0.000 0.935 158 S CB -0.302 62.834 63.200 -0.108 0.000 0.769 158 S HN -0.570 7.370 8.310 -0.283 0.200 0.536 159 Y N -0.830 119.485 120.300 0.024 0.000 2.181 159 Y HA -0.280 nan 4.550 nan 0.000 0.288 159 Y C 0.277 176.301 175.900 0.206 0.000 1.146 159 Y CA 1.775 59.940 58.100 0.109 0.000 1.164 159 Y CB -0.931 37.571 38.460 0.071 0.000 0.982 159 Y HN -0.477 7.627 8.280 -0.248 0.028 0.515 160 F N 0.267 120.107 119.950 -0.182 0.000 2.222 160 F HA 0.057 nan 4.527 nan 0.000 0.285 160 F C 1.777 177.562 175.800 -0.025 0.000 1.068 160 F CA 1.122 59.117 58.000 -0.008 0.000 1.265 160 F CB 1.711 40.663 39.000 -0.079 0.000 1.087 160 F HN -0.623 7.289 8.300 -0.397 0.150 0.511 161 R N -0.991 119.472 120.500 -0.062 0.000 2.091 161 R HA -0.323 nan 4.340 nan 0.000 0.238 161 R C 0.585 176.742 176.300 -0.238 0.000 1.136 161 R CA 3.073 59.076 56.100 -0.161 0.000 0.959 161 R CB 0.048 30.346 30.300 -0.005 0.000 0.856 161 R HN -0.526 7.784 8.270 0.067 0.000 0.437 162 E N -4.541 115.582 120.200 -0.128 0.000 2.444 162 E HA 0.028 nan 4.350 nan 0.000 0.191 162 E C -1.426 175.131 176.600 -0.071 0.000 1.041 162 E CA -0.718 55.628 56.400 -0.090 0.000 0.883 162 E CB -0.235 29.471 29.700 0.010 0.000 1.024 162 E HN -0.206 8.078 8.360 -0.076 0.031 0.470 163 D N 0.045 120.383 120.400 -0.103 0.000 2.339 163 D HA -0.038 nan 4.640 nan 0.000 0.245 163 D C 0.665 176.949 176.300 -0.027 0.000 1.115 163 D CA -0.233 53.738 54.000 -0.048 0.000 0.917 163 D CB 1.429 42.208 40.800 -0.035 0.000 1.192 163 D HN -0.902 7.260 8.370 -0.195 0.091 0.428 164 I N 3.709 124.259 120.570 -0.033 0.000 2.142 164 I HA -0.278 nan 4.170 nan 0.000 0.240 164 I C 1.072 177.228 176.117 0.064 0.000 1.078 164 I CA 3.675 64.983 61.300 0.014 0.000 1.343 164 I CB 0.243 38.093 38.000 -0.251 0.000 1.046 164 I HN 0.422 8.579 8.210 -0.088 0.000 0.405 165 G N -2.947 105.848 108.800 -0.008 0.000 2.403 165 G HA2 -0.218 nan 3.960 nan 0.000 0.216 165 G HA3 -0.218 nan 3.960 nan 0.000 0.216 165 G C 1.438 176.259 174.900 -0.132 0.000 1.154 165 G CA 1.690 46.769 45.100 -0.036 0.000 0.784 165 G HN -0.178 8.113 8.290 0.001 0.000 0.538 166 I N 2.912 123.304 120.570 -0.296 0.000 2.069 166 I HA -0.551 nan 4.170 nan 0.000 0.237 166 I C 1.659 177.671 176.117 -0.174 0.000 1.053 166 I CA 3.059 64.080 61.300 -0.465 0.000 1.311 166 I CB -0.804 36.849 38.000 -0.580 0.000 1.030 166 I HN -0.871 7.350 8.210 -0.286 -0.182 0.398 167 N N -1.147 117.511 118.700 -0.070 0.000 2.244 167 N HA -0.249 nan 4.740 nan 0.000 0.183 167 N C 2.321 177.935 175.510 0.174 0.000 1.016 167 N CA 3.023 56.057 53.050 -0.027 0.000 0.866 167 N CB -0.205 38.137 38.487 -0.242 0.000 0.980 167 N HN -0.073 8.277 8.380 -0.051 0.000 0.430 168 A N 0.417 123.403 122.820 0.276 0.000 1.858 168 A HA -0.280 nan 4.320 nan 0.000 0.216 168 A C 1.579 179.163 177.584 0.001 0.000 1.190 168 A CA 3.189 55.288 52.037 0.104 0.000 0.617 168 A CB -0.783 18.262 19.000 0.075 0.000 0.827 168 A HN 0.136 8.481 8.150 0.325 0.000 0.443 169 H N 0.107 119.242 119.070 0.108 0.000 2.357 169 H HA -0.459 nan 4.556 nan 0.000 0.296 169 H C 1.990 177.525 175.328 0.345 0.000 1.108 169 H CA 4.056 60.247 56.048 0.239 0.000 1.273 169 H CB -0.002 29.858 29.762 0.163 0.000 1.367 169 H HN -0.204 8.195 8.280 0.199 0.000 0.498 170 H N -1.125 118.060 119.070 0.191 0.000 2.290 170 H HA -0.361 nan 4.556 nan 0.000 0.298 170 H C 2.790 178.345 175.328 0.378 0.000 1.087 170 H CA 3.786 59.996 56.048 0.269 0.000 1.291 170 H CB 0.246 30.128 29.762 0.201 0.000 1.369 170 H HN -0.563 7.916 8.280 0.364 0.019 0.492 171 W N 0.644 122.064 121.300 0.200 0.000 2.332 171 W HA -0.428 nan 4.660 nan 0.000 0.321 171 W C 1.721 178.382 176.519 0.236 0.000 1.219 171 W CA 4.003 61.475 57.345 0.211 0.000 1.277 171 W CB -0.295 29.243 29.460 0.130 0.000 1.161 171 W HN -0.447 8.021 8.180 0.481 0.000 0.476 172 H N -2.428 116.928 119.070 0.477 0.000 2.394 172 H HA -0.434 nan 4.556 nan 0.000 0.297 172 H C 2.309 177.680 175.328 0.071 0.000 1.113 172 H CA 3.211 59.403 56.048 0.239 0.000 1.277 172 H CB -0.881 28.997 29.762 0.192 0.000 1.370 172 H HN -0.054 8.255 8.280 0.048 0.000 0.506 173 W N -0.259 121.031 121.300 -0.017 0.000 2.358 173 W HA -0.379 nan 4.660 nan 0.000 0.303 173 W C 1.859 178.413 176.519 0.059 0.000 1.208 173 W CA 4.831 62.158 57.345 -0.030 0.000 1.274 173 W CB 0.046 29.430 29.460 -0.126 0.000 1.138 173 W HN 0.642 8.941 8.180 0.198 0.000 0.515 174 H N -3.441 115.826 119.070 0.330 0.000 2.539 174 H HA -0.056 nan 4.556 nan 0.000 0.267 174 H C 1.184 176.456 175.328 -0.093 0.000 0.982 174 H CA 2.569 58.737 56.048 0.200 0.000 1.146 174 H CB 0.246 30.186 29.762 0.297 0.000 1.382 174 H HN -0.675 7.874 8.280 0.448 0.000 0.577 175 I N -0.936 119.592 120.570 -0.071 0.000 2.584 175 I HA -0.206 nan 4.170 nan 0.000 0.255 175 I C 1.081 177.098 176.117 -0.167 0.000 1.145 175 I CA 1.132 62.297 61.300 -0.224 0.000 1.462 175 I CB 0.700 38.620 38.000 -0.133 0.000 1.102 175 I HN -0.269 7.866 8.210 0.026 0.090 0.433 176 V N -6.385 113.378 119.914 -0.252 0.000 2.591 176 V HA -0.073 nan 4.120 nan 0.000 0.249 176 V C 0.465 176.084 176.094 -0.791 0.000 1.053 176 V CA 1.725 63.743 62.300 -0.471 0.000 1.068 176 V CB -0.249 31.201 31.823 -0.622 0.000 0.689 176 V HN -0.389 7.682 8.190 -0.199 0.000 0.462 177 Y N -1.555 118.520 120.300 -0.375 0.000 2.919 177 Y HA 0.553 nan 4.550 nan 0.000 0.341 177 Y C -2.575 173.291 175.900 -0.056 0.000 1.045 177 Y CA -3.594 54.293 58.100 -0.355 0.000 1.218 177 Y CB -0.668 37.438 38.460 -0.590 0.000 1.137 177 Y HN 0.010 7.883 8.280 -0.493 0.112 0.577 178 P HA 0.099 nan 4.420 nan 0.000 0.276 178 P C 0.021 177.425 177.300 0.173 0.000 1.230 178 P CA -0.184 63.001 63.100 0.142 0.000 0.776 178 P CB 0.893 32.632 31.700 0.064 0.000 0.888 179 A N 4.326 127.232 122.820 0.143 0.000 1.940 179 A HA -0.316 nan 4.320 nan 0.000 0.219 179 A C 0.652 178.274 177.584 0.064 0.000 1.176 179 A CA 2.834 54.919 52.037 0.079 0.000 0.631 179 A CB -0.500 18.518 19.000 0.031 0.000 0.814 179 A HN 0.561 8.799 8.150 0.148 0.000 0.446 180 T N -6.658 107.921 114.554 0.043 0.000 3.252 180 T HA -0.113 nan 4.350 nan 0.000 0.250 180 T C 0.696 175.361 174.700 -0.057 0.000 1.123 180 T CA -1.208 60.880 62.100 -0.021 0.000 1.006 180 T CB -1.457 67.358 68.868 -0.089 0.000 0.992 180 T HN -0.198 8.066 8.240 0.048 0.005 0.547 181 W N 4.231 125.449 121.300 -0.136 0.000 2.771 181 W HA -0.217 nan 4.660 nan 0.000 0.407 181 W C -1.630 174.813 176.519 -0.127 0.000 1.221 181 W CA -0.267 56.981 57.345 -0.162 0.000 1.539 181 W CB -0.941 28.426 29.460 -0.155 0.000 1.647 181 W HN -0.203 7.922 8.180 0.217 0.184 0.469 182 N N 8.310 126.742 118.700 -0.446 0.000 2.452 182 N HA -0.069 nan 4.740 nan 0.000 0.266 182 N C -1.133 174.007 175.510 -0.618 0.000 1.209 182 N CA -0.851 51.961 53.050 -0.397 0.000 0.929 182 N CB 0.781 39.064 38.487 -0.340 0.000 1.063 182 N HN -0.303 7.774 8.380 -0.438 0.040 0.472 183 P HA -0.118 nan 4.420 nan 0.000 0.216 183 P C 0.139 177.341 177.300 -0.163 0.000 1.153 183 P CA 1.945 64.975 63.100 -0.116 0.000 0.844 183 P CB 0.625 32.358 31.700 0.055 0.000 0.787 184 T N -4.586 109.880 114.554 -0.147 0.000 2.732 184 T HA -0.156 nan 4.350 nan 0.000 0.261 184 T C 2.859 177.469 174.700 -0.149 0.000 1.040 184 T CA 3.276 65.310 62.100 -0.109 0.000 1.145 184 T CB -0.544 68.278 68.868 -0.076 0.000 0.866 184 T HN -0.135 8.188 8.240 -0.152 -0.174 0.427 185 V N 2.072 121.865 119.914 -0.202 0.000 2.759 185 V HA -0.191 nan 4.120 nan 0.000 0.256 185 V C 1.218 177.122 176.094 -0.316 0.000 1.080 185 V CA 3.089 65.259 62.300 -0.217 0.000 1.101 185 V CB -0.648 31.051 31.823 -0.207 0.000 0.698 185 V HN 0.263 8.663 8.190 -0.206 -0.334 0.477 186 M N -2.666 116.660 119.600 -0.457 0.000 2.560 186 M HA 0.163 nan 4.480 nan 0.000 0.297 186 M C 0.445 176.610 176.300 -0.225 0.000 1.201 186 M CA -1.572 53.411 55.300 -0.529 0.000 0.973 186 M CB -0.665 31.246 32.600 -1.149 0.000 1.401 186 M HN -0.407 7.572 8.290 -0.477 0.025 0.497 187 G N 0.527 109.249 108.800 -0.130 0.000 2.458 187 G HA2 -0.409 nan 3.960 nan 0.000 0.237 187 G HA3 -0.409 nan 3.960 nan 0.000 0.237 187 G C -1.020 173.894 174.900 0.024 0.000 1.113 187 G CA 1.115 46.195 45.100 -0.032 0.000 0.655 187 G HN 0.129 8.129 8.290 -0.162 0.194 0.513 188 K N -0.500 119.955 120.400 0.092 0.000 2.522 188 K HA 0.358 nan 4.320 nan 0.000 0.275 188 K C -2.048 174.721 176.600 0.281 0.000 1.006 188 K CA -1.206 55.167 56.287 0.144 0.000 0.890 188 K CB 2.511 35.084 32.500 0.123 0.000 1.475 188 K HN -0.370 7.840 8.250 0.103 0.102 0.441 189 E N -0.181 120.131 120.200 0.188 0.000 2.285 189 E HA 0.185 nan 4.350 nan 0.000 0.254 189 E C -0.677 175.936 176.600 0.022 0.000 1.011 189 E CA -1.569 54.947 56.400 0.193 0.000 0.873 189 E CB 1.621 31.395 29.700 0.122 0.000 1.229 189 E HN 0.179 8.607 8.360 0.115 0.000 0.422 190 K N 0.223 120.611 120.400 -0.021 0.000 2.572 190 K HA 0.280 nan 4.320 nan 0.000 0.244 190 K C -1.144 175.469 176.600 0.023 0.000 0.965 190 K CA -1.424 54.803 56.287 -0.099 0.000 0.943 190 K CB 0.885 33.226 32.500 -0.265 0.000 1.154 190 K HN 0.307 8.595 8.250 0.064 0.000 0.447 191 D N 5.494 125.922 120.400 0.047 0.000 2.502 191 D HA -0.199 nan 4.640 nan 0.000 0.249 191 D C -0.325 175.993 176.300 0.030 0.000 1.188 191 D CA 1.438 55.472 54.000 0.056 0.000 0.890 191 D CB 0.043 40.884 40.800 0.068 0.000 1.140 191 D HN 0.475 8.861 8.370 0.026 0.000 0.505 192 R N 0.099 120.609 120.500 0.018 0.000 3.641 192 R HA -0.529 nan 4.340 nan 0.000 0.286 192 R C 0.621 176.890 176.300 -0.051 0.000 1.153 192 R CA 1.078 57.179 56.100 0.002 0.000 0.775 192 R CB -1.930 28.378 30.300 0.014 0.000 1.215 192 R HN 0.761 9.052 8.270 0.035 0.000 0.474 193 K N -1.369 118.969 120.400 -0.104 0.000 2.147 193 K HA -0.271 nan 4.320 nan 0.000 0.205 193 K C 1.590 178.208 176.600 0.030 0.000 1.049 193 K CA 2.846 58.997 56.287 -0.226 0.000 0.936 193 K CB -0.613 31.768 32.500 -0.199 0.000 0.722 193 K HN -0.578 7.642 8.250 -0.050 0.000 0.446 194 G N -0.876 107.984 108.800 0.099 0.000 2.434 194 G HA2 -0.334 nan 3.960 nan 0.000 0.214 194 G HA3 -0.334 nan 3.960 nan 0.000 0.214 194 G C 0.319 175.388 174.900 0.282 0.000 1.202 194 G CA 1.748 46.987 45.100 0.231 0.000 0.788 194 G HN -0.315 8.013 8.290 0.063 0.000 0.539 195 E N 1.158 121.458 120.200 0.166 0.000 2.058 195 E HA -0.301 nan 4.350 nan 0.000 0.194 195 E C 1.958 178.626 176.600 0.113 0.000 0.997 195 E CA 2.402 58.878 56.400 0.128 0.000 0.801 195 E CB -0.279 29.470 29.700 0.081 0.000 0.746 195 E HN -0.840 7.599 8.360 0.132 0.000 0.450 196 L N -0.954 120.333 121.223 0.108 0.000 2.131 196 L HA -0.316 nan 4.340 nan 0.000 0.210 196 L C 1.162 178.192 176.870 0.267 0.000 1.092 196 L CA 2.774 57.721 54.840 0.178 0.000 0.759 196 L CB -0.511 41.634 42.059 0.144 0.000 0.903 196 L HN 0.086 8.362 8.230 0.076 0.000 0.435 197 F N 0.716 120.748 119.950 0.137 0.000 2.234 197 F HA -0.365 nan 4.527 nan 0.000 0.299 197 F C 1.306 177.000 175.800 -0.177 0.000 1.087 197 F CA 3.255 61.223 58.000 -0.054 0.000 1.340 197 F CB -0.047 38.980 39.000 0.045 0.000 1.031 197 F HN -0.434 8.003 8.300 0.398 0.102 0.500 198 F N 1.471 121.008 119.950 -0.688 0.000 2.026 198 F HA -0.492 nan 4.527 nan 0.000 0.296 198 F C 0.617 176.130 175.800 -0.477 0.000 1.133 198 F CA 2.986 60.362 58.000 -1.040 0.000 1.188 198 F CB -0.713 37.445 39.000 -1.402 0.000 0.968 198 F HN 0.018 8.163 8.300 -0.133 0.075 0.476 199 Y N -0.046 119.722 120.300 -0.886 0.000 2.049 199 Y HA -0.558 nan 4.550 nan 0.000 0.277 199 Y C 1.724 177.227 175.900 -0.663 0.000 1.143 199 Y CA 3.554 61.078 58.100 -0.960 0.000 1.115 199 Y CB -0.078 38.061 38.460 -0.534 0.000 0.975 199 Y HN -0.112 8.019 8.280 -0.248 0.000 0.487 200 M N -2.070 117.192 119.600 -0.564 0.000 2.143 200 M HA -0.527 nan 4.480 nan 0.000 0.258 200 M C 1.837 177.629 176.300 -0.846 0.000 1.071 200 M CA 3.053 57.891 55.300 -0.771 0.000 1.088 200 M CB -0.430 31.695 32.600 -0.791 0.000 1.360 200 M HN 0.084 8.234 8.290 -0.233 0.000 0.404 201 H N -2.058 116.641 119.070 -0.619 0.000 2.403 201 H HA -0.141 nan 4.556 nan 0.000 0.298 201 H C 2.445 177.598 175.328 -0.293 0.000 1.059 201 H CA 3.966 59.803 56.048 -0.351 0.000 1.363 201 H CB -0.435 29.117 29.762 -0.350 0.000 1.410 201 H HN -0.457 7.437 8.280 -0.418 0.135 0.528 202 Q N -0.097 119.481 119.800 -0.369 0.000 2.020 202 Q HA -0.402 nan 4.340 nan 0.000 0.202 202 Q C 2.329 178.098 176.000 -0.384 0.000 0.982 202 Q CA 3.464 59.075 55.803 -0.318 0.000 0.838 202 Q CB -0.167 28.301 28.738 -0.450 0.000 0.899 202 Q HN -0.004 7.951 8.270 -0.524 0.000 0.423 203 Q N -1.136 118.226 119.800 -0.731 0.000 2.112 203 Q HA -0.343 nan 4.340 nan 0.000 0.206 203 Q C 2.699 178.290 176.000 -0.681 0.000 0.987 203 Q CA 2.789 58.090 55.803 -0.837 0.000 0.858 203 Q CB -0.434 27.405 28.738 -1.499 0.000 0.905 203 Q HN 0.222 7.900 8.270 -0.987 0.000 0.420 204 M N -0.275 118.959 119.600 -0.609 0.000 2.082 204 M HA -0.434 nan 4.480 nan 0.000 0.258 204 M C 2.073 178.524 176.300 0.251 0.000 1.071 204 M CA 4.518 59.749 55.300 -0.114 0.000 1.103 204 M CB -0.017 32.712 32.600 0.216 0.000 1.307 204 M HN 0.057 7.925 8.290 -0.703 0.000 0.409 205 C N -2.517 116.914 119.300 0.219 0.000 2.472 205 C HA -0.152 nan 4.460 nan 0.000 0.278 205 C C 2.088 177.203 174.990 0.209 0.000 1.447 205 C CA 2.435 61.659 59.018 0.342 0.000 1.773 205 C CB -2.436 25.508 27.740 0.338 0.000 1.793 205 C HN -0.176 8.109 8.230 0.092 0.000 0.544 206 A N 1.178 124.037 122.820 0.065 0.000 1.935 206 A HA -0.134 nan 4.320 nan 0.000 0.214 206 A C 1.485 179.076 177.584 0.011 0.000 1.178 206 A CA 3.030 55.085 52.037 0.030 0.000 0.640 206 A CB -0.621 18.374 19.000 -0.008 0.000 0.825 206 A HN 0.688 8.700 8.150 -0.020 0.126 0.447 207 R N -0.481 120.016 120.500 -0.004 0.000 2.083 207 R HA -0.409 nan 4.340 nan 0.000 0.237 207 R C 2.020 178.197 176.300 -0.204 0.000 1.137 207 R CA 3.568 59.652 56.100 -0.025 0.000 0.951 207 R CB -0.131 30.239 30.300 0.117 0.000 0.851 207 R HN -0.176 8.065 8.270 -0.048 0.000 0.434 208 Y N 0.480 120.599 120.300 -0.300 0.000 2.053 208 Y HA -0.481 nan 4.550 nan 0.000 0.277 208 Y C 1.348 177.076 175.900 -0.287 0.000 1.159 208 Y CA 3.477 61.314 58.100 -0.438 0.000 1.125 208 Y CB -0.152 38.132 38.460 -0.294 0.000 0.969 208 Y HN 0.155 8.569 8.280 0.223 0.000 0.492 209 D N -2.397 117.940 120.400 -0.105 0.000 2.228 209 D HA -0.413 nan 4.640 nan 0.000 0.203 209 D C 2.728 178.924 176.300 -0.174 0.000 0.988 209 D CA 3.368 57.272 54.000 -0.159 0.000 0.864 209 D CB -0.875 39.914 40.800 -0.017 0.000 0.928 209 D HN 0.018 8.324 8.370 0.106 0.127 0.469 210 S N -0.041 115.587 115.700 -0.119 0.000 2.345 210 S HA -0.263 nan 4.470 nan 0.000 0.220 210 S C 2.580 177.130 174.600 -0.084 0.000 1.031 210 S CA 3.266 61.449 58.200 -0.030 0.000 0.996 210 S CB 0.025 63.278 63.200 0.089 0.000 0.882 210 S HN -0.197 8.031 8.310 -0.102 0.021 0.445 211 E N 1.769 121.837 120.200 -0.219 0.000 2.187 211 E HA -0.392 nan 4.350 nan 0.000 0.199 211 E C 2.418 178.855 176.600 -0.272 0.000 1.004 211 E CA 3.143 59.407 56.400 -0.226 0.000 0.813 211 E CB -0.563 28.879 29.700 -0.430 0.000 0.736 211 E HN -0.140 7.985 8.360 -0.294 0.058 0.468 212 R N -1.626 118.604 120.500 -0.449 0.000 2.070 212 R HA -0.277 nan 4.340 nan 0.000 0.233 212 R C 2.583 178.772 176.300 -0.185 0.000 1.137 212 R CA 3.181 59.064 56.100 -0.361 0.000 0.945 212 R CB -0.102 29.939 30.300 -0.432 0.000 0.845 212 R HN 0.245 8.162 8.270 -0.580 0.005 0.430 213 L N -1.499 119.632 121.223 -0.153 0.000 2.201 213 L HA -0.230 nan 4.340 nan 0.000 0.212 213 L C 2.704 179.531 176.870 -0.071 0.000 1.105 213 L CA 2.757 57.529 54.840 -0.114 0.000 0.775 213 L CB -0.616 41.360 42.059 -0.138 0.000 0.913 213 L HN -0.499 7.625 8.230 -0.177 0.000 0.440 214 S N 1.765 117.466 115.700 0.001 0.000 2.368 214 S HA -0.351 nan 4.470 nan 0.000 0.225 214 S C 1.708 176.322 174.600 0.023 0.000 1.030 214 S CA 4.437 62.693 58.200 0.092 0.000 0.999 214 S CB -0.542 62.752 63.200 0.157 0.000 0.844 214 S HN 0.497 8.668 8.310 -0.016 0.130 0.459 215 N N -1.489 117.207 118.700 -0.007 0.000 2.520 215 N HA -0.213 nan 4.740 nan 0.000 0.185 215 N C 0.185 175.673 175.510 -0.036 0.000 1.068 215 N CA 0.993 54.032 53.050 -0.018 0.000 0.911 215 N CB 0.226 38.702 38.487 -0.019 0.000 0.961 215 N HN -0.822 7.538 8.380 -0.018 0.009 0.446 216 G N -1.862 106.904 108.800 -0.057 0.000 2.212 216 G HA2 -0.306 nan 3.960 nan 0.000 0.255 216 G HA3 -0.306 nan 3.960 nan 0.000 0.255 216 G C -0.861 174.001 174.900 -0.064 0.000 1.062 216 G CA 0.280 45.338 45.100 -0.069 0.000 0.815 216 G HN -0.418 7.620 8.290 -0.060 0.216 0.497 217 L N -2.271 118.907 121.223 -0.074 0.000 2.299 217 L HA 0.411 nan 4.340 nan 0.000 0.268 217 L C -0.749 176.071 176.870 -0.084 0.000 1.012 217 L CA -2.100 52.696 54.840 -0.073 0.000 0.816 217 L CB 2.799 44.808 42.059 -0.082 0.000 1.355 217 L HN -0.034 8.145 8.230 -0.085 0.000 0.457 218 Q N -3.246 116.512 119.800 -0.070 0.000 2.260 218 Q HA 0.171 nan 4.340 nan 0.000 0.238 218 Q C -0.406 175.544 176.000 -0.082 0.000 0.948 218 Q CA -1.012 54.752 55.803 -0.065 0.000 0.895 218 Q CB 0.978 29.694 28.738 -0.037 0.000 1.218 218 Q HN 0.035 8.272 8.270 -0.055 0.000 0.470 219 R N -0.337 120.120 120.500 -0.071 0.000 2.740 219 R HA -0.257 nan 4.340 nan 0.000 0.263 219 R C -0.145 176.156 176.300 0.000 0.000 0.997 219 R CA 1.229 57.297 56.100 -0.054 0.000 1.108 219 R CB 0.398 30.686 30.300 -0.021 0.000 0.969 219 R HN -0.123 8.284 8.270 -0.065 -0.176 0.431 220 M N 1.905 121.541 119.600 0.061 0.000 2.188 220 M HA -0.127 nan 4.480 nan 0.000 0.354 220 M C -0.372 176.016 176.300 0.147 0.000 1.342 220 M CA -1.010 54.382 55.300 0.154 0.000 1.117 220 M CB 0.795 33.603 32.600 0.346 0.000 1.670 220 M HN -0.010 8.679 8.290 0.068 -0.358 0.466 221 I N 7.092 127.739 120.570 0.128 0.000 2.598 221 I HA 0.061 nan 4.170 nan 0.000 0.284 221 I C -1.824 174.381 176.117 0.147 0.000 1.140 221 I CA -2.724 58.644 61.300 0.114 0.000 1.420 221 I CB 0.967 39.018 38.000 0.085 0.000 1.387 221 I HN 0.100 8.382 8.210 0.120 0.000 0.553 222 P HA 0.003 nan 4.420 nan 0.000 0.271 222 P C -1.149 176.224 177.300 0.122 0.000 1.218 222 P CA -0.868 62.329 63.100 0.162 0.000 0.780 222 P CB 0.725 32.530 31.700 0.175 0.000 0.901 223 F N 4.367 124.240 119.950 -0.128 0.000 2.661 223 F HA -0.035 nan 4.527 nan 0.000 0.356 223 F C -0.511 174.778 175.800 -0.851 0.000 1.244 223 F CA -1.196 56.578 58.000 -0.376 0.000 1.290 223 F CB -0.654 38.153 39.000 -0.322 0.000 1.677 223 F HN 0.160 8.499 8.300 0.185 0.072 0.649 224 H N 4.574 123.286 119.070 -0.596 0.000 2.436 224 H HA -0.147 nan 4.556 nan 0.000 0.294 224 H C -1.202 173.709 175.328 -0.695 0.000 1.048 224 H CA 2.006 57.743 56.048 -0.519 0.000 1.353 224 H CB 0.856 30.520 29.762 -0.164 0.000 1.414 224 H HN -0.146 7.956 8.280 -0.208 0.053 0.536 225 N N -4.285 113.962 118.700 -0.755 0.000 2.384 225 N HA -0.045 nan 4.740 nan 0.000 0.301 225 N C 0.241 175.097 175.510 -1.090 0.000 1.133 225 N CA -1.516 51.179 53.050 -0.591 0.000 0.853 225 N CB 2.482 40.816 38.487 -0.254 0.000 1.241 225 N HN -0.518 7.386 8.380 -0.794 0.000 0.502 226 F N -0.582 119.026 119.950 -0.571 0.000 2.530 226 F HA -0.038 nan 4.527 nan 0.000 0.292 226 F C 0.916 176.614 175.800 -0.170 0.000 1.109 226 F CA 1.844 59.609 58.000 -0.391 0.000 1.450 226 F CB 0.730 39.674 39.000 -0.093 0.000 1.114 226 F HN 0.422 8.760 8.300 0.063 0.000 0.560 227 D N -0.861 119.540 120.400 0.001 0.000 2.104 227 D HA -0.266 nan 4.640 nan 0.000 0.194 227 D C 0.534 176.844 176.300 0.017 0.000 0.994 227 D CA 2.441 56.448 54.000 0.011 0.000 0.830 227 D CB -0.372 40.421 40.800 -0.013 0.000 0.959 227 D HN -0.720 7.883 8.370 -0.015 -0.242 0.452 228 E N -0.336 119.827 120.200 -0.061 0.000 2.493 228 E HA 0.051 nan 4.350 nan 0.000 0.255 228 E C -1.336 175.348 176.600 0.141 0.000 0.999 228 E CA -1.194 55.204 56.400 -0.004 0.000 0.934 228 E CB -0.444 29.206 29.700 -0.083 0.000 0.940 228 E HN -0.066 8.194 8.360 -0.167 0.000 0.473 229 P HA -0.142 nan 4.420 nan 0.000 0.267 229 P C -1.568 175.877 177.300 0.242 0.000 1.195 229 P CA 0.660 63.887 63.100 0.212 0.000 0.773 229 P CB 0.359 32.163 31.700 0.172 0.000 0.837 230 L N 1.499 122.862 121.223 0.234 0.000 2.325 230 L HA 0.219 nan 4.340 nan 0.000 0.279 230 L C -0.053 176.884 176.870 0.112 0.000 1.054 230 L CA -0.648 54.288 54.840 0.160 0.000 0.804 230 L CB 1.051 43.169 42.059 0.099 0.000 1.200 230 L HN 0.299 8.583 8.230 0.263 0.104 0.436 231 E N 2.238 122.492 120.200 0.090 0.000 2.422 231 E HA -0.144 nan 4.350 nan 0.000 0.260 231 E C 0.314 176.940 176.600 0.043 0.000 1.108 231 E CA 0.624 57.069 56.400 0.075 0.000 0.943 231 E CB 0.810 30.561 29.700 0.085 0.000 0.961 231 E HN 0.298 8.715 8.360 0.095 0.000 0.443 232 G N -0.586 108.243 108.800 0.047 0.000 2.377 232 G HA2 0.368 nan 3.960 nan 0.000 0.299 232 G HA3 0.368 nan 3.960 nan 0.000 0.299 232 G C -1.761 173.227 174.900 0.147 0.000 1.150 232 G CA -0.443 44.669 45.100 0.021 0.000 0.847 232 G HN 0.018 8.349 8.290 0.068 0.000 0.501 233 Y N 3.936 124.197 120.300 -0.064 0.000 2.474 233 Y HA 0.067 nan 4.550 nan 0.000 0.326 233 Y C -2.930 172.924 175.900 -0.077 0.000 1.160 233 Y CA 0.468 58.545 58.100 -0.039 0.000 1.056 233 Y CB 4.250 42.699 38.460 -0.018 0.000 1.330 233 Y HN 0.871 9.060 8.280 0.034 0.111 0.447 234 A N 5.778 128.130 122.820 -0.779 0.000 2.293 234 A HA 0.465 nan 4.320 nan 0.000 0.312 234 A C -1.832 175.101 177.584 -1.084 0.000 1.309 234 A CA -4.443 47.119 52.037 -0.792 0.000 0.839 234 A CB 0.554 19.140 19.000 -0.689 0.000 1.155 234 A HN 0.286 7.924 8.150 -0.853 0.000 0.501 235 P HA -0.183 nan 4.420 nan 0.000 0.220 235 P C -0.730 176.540 177.300 -0.050 0.000 1.148 235 P CA 1.136 64.046 63.100 -0.317 0.000 0.803 235 P CB 0.170 31.796 31.700 -0.123 0.000 0.782 236 H N -6.872 112.111 119.070 -0.145 0.000 2.880 236 H HA -0.283 nan 4.556 nan 0.000 0.304 236 H C -1.699 173.631 175.328 0.002 0.000 1.259 236 H CA 0.332 56.346 56.048 -0.057 0.000 1.153 236 H CB -1.884 27.851 29.762 -0.044 0.000 1.395 236 H HN 0.377 8.349 8.280 -0.428 0.051 0.420 237 L N -0.556 120.722 121.223 0.091 0.000 2.377 237 L HA 0.360 nan 4.340 nan 0.000 0.270 237 L C -1.217 175.782 176.870 0.216 0.000 0.991 237 L CA -0.899 54.020 54.840 0.132 0.000 0.851 237 L CB 1.756 43.836 42.059 0.035 0.000 1.218 237 L HN -0.287 7.971 8.230 0.046 0.000 0.420 238 T N -0.527 114.131 114.554 0.173 0.000 2.875 238 T HA 0.465 nan 4.350 nan 0.000 0.284 238 T C -0.112 174.689 174.700 0.168 0.000 0.995 238 T CA -2.470 59.720 62.100 0.150 0.000 1.060 238 T CB 1.184 70.110 68.868 0.096 0.000 0.967 238 T HN 0.109 8.440 8.240 0.152 0.000 0.476 239 S N 3.271 119.044 115.700 0.121 0.000 2.499 239 S HA 0.241 nan 4.470 nan 0.000 0.275 239 S C 1.613 176.285 174.600 0.121 0.000 1.257 239 S CA -1.320 56.956 58.200 0.126 0.000 1.050 239 S CB 0.783 63.979 63.200 -0.006 0.000 0.937 239 S HN 0.091 8.435 8.310 0.058 0.000 0.490 240 L N 1.695 123.022 121.223 0.173 0.000 2.549 240 L HA -0.113 nan 4.340 nan 0.000 0.230 240 L C 0.574 177.528 176.870 0.139 0.000 1.162 240 L CA 2.081 57.015 54.840 0.156 0.000 0.834 240 L CB -0.870 41.301 42.059 0.186 0.000 0.947 240 L HN -0.023 8.568 8.230 0.225 -0.226 0.452 241 V N -6.211 113.788 119.914 0.141 0.000 2.323 241 V HA -0.114 nan 4.120 nan 0.000 0.244 241 V C 0.740 176.869 176.094 0.057 0.000 1.041 241 V CA 0.897 63.263 62.300 0.110 0.000 1.025 241 V CB -0.276 31.605 31.823 0.097 0.000 0.656 241 V HN 0.193 8.407 8.190 0.147 0.064 0.451 242 S N -0.990 114.732 115.700 0.037 0.000 2.840 242 S HA 0.334 nan 4.470 nan 0.000 0.307 242 S C 1.324 175.935 174.600 0.017 0.000 1.180 242 S CA -0.925 57.287 58.200 0.019 0.000 0.846 242 S CB 2.188 65.392 63.200 0.006 0.000 1.233 242 S HN -0.765 7.568 8.310 0.038 0.000 0.548 243 G N 1.209 110.015 108.800 0.010 0.000 2.432 243 G HA2 -0.115 nan 3.960 nan 0.000 0.219 243 G HA3 -0.115 nan 3.960 nan 0.000 0.219 243 G C -0.082 174.824 174.900 0.009 0.000 1.135 243 G CA 1.084 46.191 45.100 0.011 0.000 0.767 243 G HN 0.346 8.639 8.290 0.006 0.000 0.550 244 L N 0.192 121.412 121.223 -0.005 0.000 2.425 244 L HA 0.057 nan 4.340 nan 0.000 0.225 244 L C -0.552 176.302 176.870 -0.027 0.000 1.222 244 L CA 0.491 55.320 54.840 -0.019 0.000 0.832 244 L CB 0.909 42.948 42.059 -0.033 0.000 1.238 244 L HN -0.773 7.386 8.230 -0.007 0.066 0.533 245 Q N -5.418 114.358 119.800 -0.040 0.000 2.511 245 Q HA 0.305 nan 4.340 nan 0.000 0.289 245 Q C -1.240 174.725 176.000 -0.058 0.000 1.021 245 Q CA -1.573 54.217 55.803 -0.021 0.000 0.785 245 Q CB 2.803 31.577 28.738 0.059 0.000 1.472 245 Q HN -0.211 8.032 8.270 -0.045 0.000 0.411 246 Y N 0.413 120.718 120.300 0.010 0.000 2.828 246 Y HA -0.311 nan 4.550 nan 0.000 0.359 246 Y C -0.114 175.780 175.900 -0.010 0.000 1.258 246 Y CA 1.394 59.499 58.100 0.009 0.000 1.652 246 Y CB -1.109 37.353 38.460 0.003 0.000 1.232 246 Y HN -0.297 8.148 8.280 0.274 0.000 0.513 247 A N 6.671 129.551 122.820 0.099 0.000 2.567 247 A HA -0.191 nan 4.320 nan 0.000 0.240 247 A C -1.337 176.278 177.584 0.053 0.000 1.053 247 A CA 0.664 52.735 52.037 0.056 0.000 0.755 247 A CB 0.509 19.545 19.000 0.060 0.000 0.978 247 A HN 0.231 8.422 8.150 0.068 0.000 0.507 248 S N -0.128 115.565 115.700 -0.011 0.000 2.509 248 S HA 0.200 nan 4.470 nan 0.000 0.297 248 S C -0.767 173.786 174.600 -0.079 0.000 1.118 248 S CA -1.452 56.715 58.200 -0.054 0.000 1.074 248 S CB 1.955 65.067 63.200 -0.147 0.000 1.038 248 S HN -0.341 7.953 8.310 -0.027 0.000 0.498 249 R N 3.204 123.655 120.500 -0.082 0.000 2.298 249 R HA 0.429 nan 4.340 nan 0.000 0.310 249 R C -2.076 174.039 176.300 -0.308 0.000 1.068 249 R CA -2.305 53.675 56.100 -0.200 0.000 0.957 249 R CB 0.730 30.953 30.300 -0.128 0.000 1.003 249 R HN 0.010 8.262 8.270 -0.029 0.000 0.454 250 P HA -0.001 nan 4.420 nan 0.000 0.277 250 P C -1.592 175.374 177.300 -0.558 0.000 1.240 250 P CA -0.619 62.192 63.100 -0.482 0.000 0.798 250 P CB 0.583 32.061 31.700 -0.370 0.000 0.979 251 E N 1.258 121.359 120.200 -0.164 0.000 2.435 251 E HA -0.220 nan 4.350 nan 0.000 0.256 251 E C 0.688 177.391 176.600 0.173 0.000 1.245 251 E CA 0.043 56.442 56.400 -0.001 0.000 0.989 251 E CB -0.109 29.622 29.700 0.052 0.000 0.983 251 E HN 0.080 8.384 8.360 -0.092 0.000 0.480 252 G N -1.018 107.919 108.800 0.228 0.000 2.176 252 G HA2 -0.378 nan 3.960 nan 0.000 0.252 252 G HA3 -0.378 nan 3.960 nan 0.000 0.252 252 G C -0.794 174.364 174.900 0.431 0.000 1.024 252 G CA 0.529 45.795 45.100 0.277 0.000 0.755 252 G HN -0.160 8.236 8.290 0.177 0.000 0.507 253 Y N -0.077 120.289 120.300 0.110 0.000 2.342 253 Y HA 0.169 nan 4.550 nan 0.000 0.338 253 Y C -0.947 175.051 175.900 0.163 0.000 0.965 253 Y CA -3.012 55.170 58.100 0.137 0.000 1.159 253 Y CB 0.257 38.792 38.460 0.125 0.000 1.157 253 Y HN -0.886 7.624 8.280 0.428 0.026 0.486 254 S N 3.221 119.063 115.700 0.236 0.000 2.580 254 S HA 0.157 nan 4.470 nan 0.000 0.274 254 S C -0.371 174.380 174.600 0.252 0.000 1.329 254 S CA -0.645 57.663 58.200 0.179 0.000 1.036 254 S CB 0.984 64.201 63.200 0.028 0.000 0.919 254 S HN 0.544 8.949 8.310 0.159 0.000 0.515 255 I N 4.465 125.172 120.570 0.229 0.000 2.993 255 I HA -0.124 nan 4.170 nan 0.000 0.286 255 I C -1.883 174.313 176.117 0.133 0.000 1.215 255 I CA 0.390 61.844 61.300 0.256 0.000 1.393 255 I CB 0.795 39.010 38.000 0.359 0.000 1.371 255 I HN 0.080 8.430 8.210 0.233 0.000 0.602 256 H N 4.418 123.552 119.070 0.106 0.000 2.974 256 H HA 0.235 nan 4.556 nan 0.000 0.366 256 H C -1.652 173.704 175.328 0.046 0.000 1.155 256 H CA -1.083 55.003 56.048 0.063 0.000 1.186 256 H CB 3.843 33.637 29.762 0.054 0.000 1.799 256 H HN 0.240 8.685 8.280 0.274 0.000 0.541 257 D N 1.891 122.361 120.400 0.118 0.000 2.364 257 D HA 0.107 nan 4.640 nan 0.000 0.236 257 D C -0.853 175.488 176.300 0.069 0.000 1.221 257 D CA 1.124 55.150 54.000 0.044 0.000 0.891 257 D CB 0.550 41.346 40.800 -0.006 0.000 1.190 257 D HN 0.064 8.484 8.370 0.082 0.000 0.449 258 L N -0.885 120.357 121.223 0.032 0.000 2.323 258 L HA 0.291 nan 4.340 nan 0.000 0.265 258 L C 0.470 177.367 176.870 0.046 0.000 1.012 258 L CA -1.050 53.830 54.840 0.067 0.000 0.820 258 L CB 2.344 44.465 42.059 0.104 0.000 1.334 258 L HN 0.232 8.450 8.230 -0.019 0.000 0.427 259 S N 0.857 116.607 115.700 0.082 0.000 2.465 259 S HA -0.289 nan 4.470 nan 0.000 0.241 259 S C 0.100 174.753 174.600 0.087 0.000 1.000 259 S CA 2.788 61.036 58.200 0.079 0.000 0.964 259 S CB -0.219 63.039 63.200 0.097 0.000 0.763 259 S HN 0.828 9.198 8.310 0.100 0.000 0.512 260 D N 0.791 121.249 120.400 0.097 0.000 2.429 260 D HA -0.007 nan 4.640 nan 0.000 0.242 260 D C -0.458 175.743 176.300 -0.164 0.000 1.076 260 D CA 0.689 54.697 54.000 0.014 0.000 0.955 260 D CB 0.773 41.630 40.800 0.095 0.000 1.076 260 D HN 0.016 8.438 8.370 0.142 0.033 0.448 261 V N 0.966 120.710 119.914 -0.283 0.000 2.628 261 V HA 0.141 nan 4.120 nan 0.000 0.306 261 V C -1.288 174.642 176.094 -0.274 0.000 1.045 261 V CA -1.512 60.545 62.300 -0.406 0.000 0.905 261 V CB 2.878 34.253 31.823 -0.746 0.000 0.997 261 V HN -0.437 7.636 8.190 -0.196 0.000 0.436 262 D N 3.098 123.317 120.400 -0.301 0.000 2.341 262 D HA 0.010 nan 4.640 nan 0.000 0.245 262 D C 1.080 177.199 176.300 -0.301 0.000 1.106 262 D CA -0.062 53.787 54.000 -0.252 0.000 0.905 262 D CB 0.815 41.471 40.800 -0.240 0.000 1.202 262 D HN -0.031 8.136 8.370 -0.338 0.000 0.426 263 V N 0.993 120.780 119.914 -0.212 0.000 2.568 263 V HA -0.402 nan 4.120 nan 0.000 0.253 263 V C 1.773 177.609 176.094 -0.431 0.000 1.072 263 V CA 3.954 66.114 62.300 -0.234 0.000 1.084 263 V CB -0.791 30.966 31.823 -0.110 0.000 0.676 263 V HN -0.050 8.310 8.190 -0.153 -0.262 0.469 264 Q N -0.710 118.867 119.800 -0.372 0.000 2.084 264 Q HA -0.426 nan 4.340 nan 0.000 0.202 264 Q C 1.472 177.171 176.000 -0.503 0.000 0.978 264 Q CA 3.658 59.222 55.803 -0.398 0.000 0.844 264 Q CB -0.390 28.174 28.738 -0.289 0.000 0.898 264 Q HN 0.206 8.294 8.270 -0.289 0.009 0.426 265 D N 0.118 120.146 120.400 -0.619 0.000 2.264 265 D HA -0.198 nan 4.640 nan 0.000 0.208 265 D C 2.319 177.783 176.300 -1.392 0.000 0.966 265 D CA 3.103 56.534 54.000 -0.949 0.000 0.864 265 D CB -0.148 40.047 40.800 -1.009 0.000 0.933 265 D HN -0.524 7.500 8.370 -0.543 0.020 0.499 266 M N -0.912 118.122 119.600 -0.943 0.000 2.086 266 M HA -0.312 nan 4.480 nan 0.000 0.261 266 M C 2.277 178.426 176.300 -0.252 0.000 1.067 266 M CA 3.342 58.411 55.300 -0.385 0.000 1.116 266 M CB -0.858 31.671 32.600 -0.120 0.000 1.348 266 M HN -0.496 7.317 8.290 -0.780 0.009 0.407 267 V N -0.310 119.307 119.914 -0.496 0.000 2.343 267 V HA -0.490 nan 4.120 nan 0.000 0.247 267 V C 2.371 178.339 176.094 -0.210 0.000 1.051 267 V CA 4.112 66.194 62.300 -0.364 0.000 1.036 267 V CB -1.320 30.243 31.823 -0.434 0.000 0.654 267 V HN -0.343 7.389 8.190 -0.616 0.088 0.451 268 R N -0.611 119.696 120.500 -0.322 0.000 2.103 268 R HA -0.409 nan 4.340 nan 0.000 0.234 268 R C 2.025 178.217 176.300 -0.180 0.000 1.132 268 R CA 3.823 59.746 56.100 -0.296 0.000 0.925 268 R CB -0.252 29.791 30.300 -0.429 0.000 0.842 268 R HN 0.199 8.213 8.270 -0.426 0.000 0.430 269 W N -2.330 118.858 121.300 -0.187 0.000 2.302 269 W HA -0.313 nan 4.660 nan 0.000 0.320 269 W C 2.484 178.952 176.519 -0.086 0.000 1.241 269 W CA 2.167 59.411 57.345 -0.168 0.000 1.264 269 W CB -1.030 28.400 29.460 -0.050 0.000 1.154 269 W HN 0.085 7.954 8.180 -0.520 0.000 0.483 270 R N -2.230 118.405 120.500 0.224 0.000 2.096 270 R HA -0.441 nan 4.340 nan 0.000 0.235 270 R C 2.017 178.351 176.300 0.056 0.000 1.127 270 R CA 3.720 59.910 56.100 0.149 0.000 0.968 270 R CB -0.245 30.191 30.300 0.227 0.000 0.861 270 R HN -0.191 8.214 8.270 0.226 0.000 0.440 271 E N -1.026 119.184 120.200 0.017 0.000 2.072 271 E HA -0.220 nan 4.350 nan 0.000 0.190 271 E C 2.695 179.283 176.600 -0.019 0.000 0.982 271 E CA 2.311 58.704 56.400 -0.013 0.000 0.803 271 E CB -0.818 28.860 29.700 -0.037 0.000 0.755 271 E HN -0.377 7.865 8.360 0.002 0.120 0.453 272 R N -0.828 119.634 120.500 -0.063 0.000 2.127 272 R HA -0.290 nan 4.340 nan 0.000 0.238 272 R C 3.000 179.345 176.300 0.076 0.000 1.134 272 R CA 3.125 59.169 56.100 -0.093 0.000 0.975 272 R CB -0.178 29.803 30.300 -0.533 0.000 0.865 272 R HN 0.175 8.392 8.270 -0.089 0.000 0.447 273 I N -0.238 120.399 120.570 0.112 0.000 2.235 273 I HA -0.403 nan 4.170 nan 0.000 0.241 273 I C 1.525 177.645 176.117 0.006 0.000 1.085 273 I CA 3.711 65.113 61.300 0.170 0.000 1.378 273 I CB 0.014 38.073 38.000 0.099 0.000 1.076 273 I HN -0.165 7.953 8.210 0.067 0.132 0.415 274 L N -1.079 120.123 121.223 -0.035 0.000 2.083 274 L HA -0.494 nan 4.340 nan 0.000 0.209 274 L C 2.194 179.008 176.870 -0.093 0.000 1.083 274 L CA 3.291 58.081 54.840 -0.084 0.000 0.752 274 L CB -0.874 41.151 42.059 -0.057 0.000 0.899 274 L HN 0.111 8.335 8.230 -0.009 0.000 0.433 275 D N -0.924 119.441 120.400 -0.057 0.000 2.117 275 D HA -0.304 nan 4.640 nan 0.000 0.197 275 D C 1.540 177.759 176.300 -0.135 0.000 0.987 275 D CA 3.696 57.655 54.000 -0.069 0.000 0.829 275 D CB -0.149 40.635 40.800 -0.027 0.000 0.961 275 D HN -0.157 8.190 8.370 -0.028 0.005 0.460 276 A N -1.010 121.737 122.820 -0.122 0.000 2.019 276 A HA -0.172 nan 4.320 nan 0.000 0.219 276 A C 2.274 179.660 177.584 -0.329 0.000 1.164 276 A CA 2.701 54.596 52.037 -0.235 0.000 0.644 276 A CB -0.771 18.209 19.000 -0.034 0.000 0.805 276 A HN -0.715 7.319 8.150 -0.032 0.097 0.449 277 I N -1.992 118.387 120.570 -0.319 0.000 2.142 277 I HA -0.552 nan 4.170 nan 0.000 0.240 277 I C 1.879 177.636 176.117 -0.599 0.000 1.078 277 I CA 3.972 65.004 61.300 -0.447 0.000 1.343 277 I CB -0.396 37.399 38.000 -0.342 0.000 1.046 277 I HN 0.059 8.128 8.210 -0.236 0.000 0.405 278 N N -1.011 117.482 118.700 -0.344 0.000 2.104 278 N HA -0.232 nan 4.740 nan 0.000 0.190 278 N C 2.250 177.714 175.510 -0.078 0.000 1.024 278 N CA 2.860 55.792 53.050 -0.197 0.000 0.853 278 N CB -0.008 38.431 38.487 -0.081 0.000 1.008 278 N HN -0.567 7.664 8.380 -0.249 0.000 0.424 279 M N -2.102 117.402 119.600 -0.160 0.000 2.394 279 M HA -0.212 nan 4.480 nan 0.000 0.264 279 M C -0.479 175.826 176.300 0.007 0.000 1.073 279 M CA 2.482 57.712 55.300 -0.117 0.000 1.111 279 M CB 0.224 32.542 32.600 -0.470 0.000 1.401 279 M HN 0.403 8.447 8.290 -0.229 0.109 0.448 280 H N -6.941 112.062 119.070 -0.113 0.000 2.936 280 H HA -0.385 nan 4.556 nan 0.000 0.276 280 H C -1.529 173.864 175.328 0.109 0.000 1.216 280 H CA 1.330 57.397 56.048 0.032 0.000 1.132 280 H CB -3.085 26.761 29.762 0.139 0.000 1.303 280 H HN -0.245 7.522 8.280 -0.433 0.253 0.370 281 Y N -6.579 113.758 120.300 0.062 0.000 2.670 281 Y HA 0.852 nan 4.550 nan 0.000 0.334 281 Y C -2.537 173.377 175.900 0.023 0.000 1.185 281 Y CA -2.268 55.863 58.100 0.051 0.000 1.053 281 Y CB 3.169 41.669 38.460 0.066 0.000 1.298 281 Y HN -0.450 7.590 8.280 -0.400 0.000 0.459 282 I N -4.192 116.566 120.570 0.314 0.000 2.647 282 I HA 0.542 nan 4.170 nan 0.000 0.295 282 I C -1.503 174.764 176.117 0.250 0.000 1.078 282 I CA -1.724 59.713 61.300 0.229 0.000 1.048 282 I CB 3.840 41.828 38.000 -0.019 0.000 1.239 282 I HN 0.165 8.556 8.210 0.302 0.000 0.421 283 V N -1.801 118.261 119.914 0.247 0.000 2.348 283 V HA 0.423 nan 4.120 nan 0.000 0.270 283 V C -0.148 176.026 176.094 0.133 0.000 1.037 283 V CA -2.494 59.874 62.300 0.114 0.000 0.872 283 V CB -0.855 30.946 31.823 -0.035 0.000 1.002 283 V HN -0.215 8.183 8.190 0.346 0.000 0.464 284 D N 7.808 128.258 120.400 0.084 0.000 2.398 284 D HA 0.170 nan 4.640 nan 0.000 0.247 284 D C 1.359 177.699 176.300 0.067 0.000 1.227 284 D CA -0.891 53.157 54.000 0.081 0.000 0.980 284 D CB 0.940 41.768 40.800 0.047 0.000 1.106 284 D HN -0.454 7.954 8.370 0.062 0.000 0.493 285 K N -0.274 120.168 120.400 0.069 0.000 2.589 285 K HA -0.288 nan 4.320 nan 0.000 0.195 285 K C 0.087 176.707 176.600 0.033 0.000 1.040 285 K CA 2.349 58.669 56.287 0.056 0.000 0.950 285 K CB -0.735 31.800 32.500 0.058 0.000 0.781 285 K HN 0.551 8.846 8.250 0.074 0.000 0.486 286 D N -5.469 114.944 120.400 0.022 0.000 2.379 286 D HA -0.008 nan 4.640 nan 0.000 0.208 286 D C -0.158 176.141 176.300 -0.001 0.000 1.065 286 D CA -0.671 53.335 54.000 0.010 0.000 0.848 286 D CB -0.331 40.472 40.800 0.006 0.000 0.949 286 D HN -0.521 7.790 8.370 0.025 0.074 0.509 287 N N -3.587 115.110 118.700 -0.006 0.000 2.994 287 N HA -0.413 nan 4.740 nan 0.000 0.221 287 N C -1.160 174.331 175.510 -0.031 0.000 0.900 287 N CA 1.515 54.550 53.050 -0.026 0.000 1.008 287 N CB -1.575 36.894 38.487 -0.029 0.000 1.053 287 N HN 0.421 8.685 8.380 0.005 0.120 0.580 288 N N 1.894 120.581 118.700 -0.022 0.000 2.488 288 N HA 0.040 nan 4.740 nan 0.000 0.274 288 N C -0.937 174.553 175.510 -0.034 0.000 1.111 288 N CA 0.437 53.465 53.050 -0.036 0.000 0.974 288 N CB 1.039 39.510 38.487 -0.027 0.000 1.089 288 N HN -0.459 8.176 8.380 -0.009 -0.260 0.465 289 K N 2.626 122.972 120.400 -0.089 0.000 2.315 289 K HA 0.197 nan 4.320 nan 0.000 0.291 289 K C -0.250 176.327 176.600 -0.038 0.000 1.074 289 K CA -0.258 55.961 56.287 -0.114 0.000 0.936 289 K CB -0.535 31.706 32.500 -0.430 0.000 1.049 289 K HN 0.174 8.354 8.250 -0.116 0.000 0.471 290 I N 0.800 121.395 120.570 0.041 0.000 2.488 290 I HA 0.549 nan 4.170 nan 0.000 0.299 290 I C -2.055 174.131 176.117 0.116 0.000 0.984 290 I CA -3.342 57.991 61.300 0.056 0.000 1.250 290 I CB 1.006 39.032 38.000 0.043 0.000 1.389 290 I HN 0.296 8.545 8.210 0.065 0.000 0.488 291 P HA 0.093 nan 4.420 nan 0.000 0.271 291 P C -0.726 176.696 177.300 0.204 0.000 1.216 291 P CA -0.193 63.016 63.100 0.182 0.000 0.771 291 P CB 0.108 31.901 31.700 0.155 0.000 0.864 292 L N 5.298 126.667 121.223 0.243 0.000 2.391 292 L HA -0.107 nan 4.340 nan 0.000 0.249 292 L C -0.492 176.659 176.870 0.468 0.000 1.308 292 L CA -0.634 54.373 54.840 0.279 0.000 1.209 292 L CB -1.362 40.750 42.059 0.088 0.000 1.401 292 L HN 0.257 8.560 8.230 0.274 0.092 0.416 293 D N 2.836 123.426 120.400 0.316 0.000 2.352 293 D HA -0.060 nan 4.640 nan 0.000 0.238 293 D C 0.880 177.230 176.300 0.082 0.000 1.286 293 D CA 0.023 54.135 54.000 0.186 0.000 0.923 293 D CB 2.055 42.939 40.800 0.140 0.000 1.146 293 D HN -0.155 8.303 8.370 0.260 0.068 0.471 294 I N -0.289 120.167 120.570 -0.191 0.000 2.296 294 I HA -0.298 nan 4.170 nan 0.000 0.242 294 I C 1.796 177.778 176.117 -0.226 0.000 1.087 294 I CA 2.712 63.755 61.300 -0.429 0.000 1.393 294 I CB 0.457 38.176 38.000 -0.467 0.000 1.093 294 I HN 0.094 8.223 8.210 -0.135 0.000 0.421 295 E N -0.929 119.133 120.200 -0.230 0.000 2.004 295 E HA -0.290 nan 4.350 nan 0.000 0.193 295 E C 2.584 179.012 176.600 -0.287 0.000 0.985 295 E CA 2.523 58.723 56.400 -0.333 0.000 0.832 295 E CB 0.167 29.527 29.700 -0.566 0.000 0.787 295 E HN -0.578 7.932 8.360 -0.211 -0.277 0.466 296 H N -0.927 118.164 119.070 0.035 0.000 2.428 296 H HA -0.056 nan 4.556 nan 0.000 0.296 296 H C 2.481 177.857 175.328 0.079 0.000 1.062 296 H CA 2.593 58.670 56.048 0.049 0.000 1.350 296 H CB -0.231 29.555 29.762 0.040 0.000 1.403 296 H HN -0.078 8.354 8.280 -0.363 -0.370 0.533 297 G N -1.484 107.430 108.800 0.191 0.000 2.550 297 G HA2 -0.402 nan 3.960 nan 0.000 0.222 297 G HA3 -0.402 nan 3.960 nan 0.000 0.222 297 G C 1.170 176.189 174.900 0.199 0.000 1.113 297 G CA 2.588 47.816 45.100 0.215 0.000 0.748 297 G HN 0.339 8.697 8.290 0.162 0.030 0.585 298 T N 1.981 116.654 114.554 0.199 0.000 3.035 298 T HA -0.075 nan 4.350 nan 0.000 0.259 298 T C 1.768 176.564 174.700 0.160 0.000 1.078 298 T CA 3.608 65.832 62.100 0.205 0.000 1.132 298 T CB -0.305 68.682 68.868 0.198 0.000 0.900 298 T HN -0.732 7.557 8.240 0.163 0.049 0.480 299 D N 2.796 123.271 120.400 0.126 0.000 2.123 299 D HA -0.093 nan 4.640 nan 0.000 0.200 299 D C 1.301 177.656 176.300 0.092 0.000 0.976 299 D CA 2.893 56.956 54.000 0.105 0.000 0.831 299 D CB 0.035 40.896 40.800 0.101 0.000 0.974 299 D HN -0.073 8.371 8.370 0.125 0.000 0.469 300 I N -4.086 116.539 120.570 0.092 0.000 2.928 300 I HA -0.062 nan 4.170 nan 0.000 0.266 300 I C 1.558 177.675 176.117 -0.001 0.000 1.234 300 I CA 2.730 64.060 61.300 0.051 0.000 1.483 300 I CB -0.032 38.003 38.000 0.058 0.000 1.097 300 I HN -0.368 7.913 8.210 0.118 0.000 0.455 301 L N 0.877 122.108 121.223 0.012 0.000 2.162 301 L HA 0.003 nan 4.340 nan 0.000 0.205 301 L C 1.432 178.312 176.870 0.017 0.000 1.086 301 L CA 2.163 56.968 54.840 -0.059 0.000 0.778 301 L CB -0.161 41.867 42.059 -0.052 0.000 0.928 301 L HN 0.114 8.203 8.230 0.069 0.183 0.446 302 G N -1.734 107.140 108.800 0.124 0.000 2.402 302 G HA2 -0.418 nan 3.960 nan 0.000 0.216 302 G HA3 -0.418 nan 3.960 nan 0.000 0.216 302 G C 0.653 175.579 174.900 0.044 0.000 1.162 302 G CA 2.479 47.684 45.100 0.175 0.000 0.777 302 G HN -0.121 8.165 8.290 0.130 0.082 0.539 303 D N 1.093 121.510 120.400 0.028 0.000 2.084 303 D HA -0.316 nan 4.640 nan 0.000 0.194 303 D C 2.082 178.373 176.300 -0.014 0.000 0.990 303 D CA 2.645 56.647 54.000 0.004 0.000 0.826 303 D CB -0.660 40.156 40.800 0.026 0.000 0.971 303 D HN 0.051 8.449 8.370 0.047 0.000 0.453 304 I N -0.001 120.551 120.570 -0.031 0.000 2.132 304 I HA -0.604 nan 4.170 nan 0.000 0.238 304 I C 2.299 178.398 176.117 -0.030 0.000 1.012 304 I CA 3.359 64.624 61.300 -0.059 0.000 1.288 304 I CB -0.010 37.848 38.000 -0.236 0.000 0.997 304 I HN -0.897 7.295 8.210 -0.030 0.000 0.402 305 I N -1.351 119.191 120.570 -0.048 0.000 2.286 305 I HA -0.429 nan 4.170 nan 0.000 0.245 305 I C 1.325 177.437 176.117 -0.008 0.000 1.104 305 I CA 2.399 63.693 61.300 -0.011 0.000 1.397 305 I CB -0.750 37.252 38.000 0.002 0.000 1.072 305 I HN -0.079 8.096 8.210 -0.057 0.000 0.417 306 E N -1.936 118.218 120.200 -0.077 0.000 2.147 306 E HA -0.349 nan 4.350 nan 0.000 0.199 306 E C -0.644 175.939 176.600 -0.029 0.000 1.005 306 E CA 2.861 59.166 56.400 -0.158 0.000 0.810 306 E CB -0.019 29.447 29.700 -0.389 0.000 0.736 306 E HN -0.714 7.593 8.360 -0.089 0.000 0.460 307 S N -1.472 114.201 115.700 -0.044 0.000 2.439 307 S HA 0.096 nan 4.470 nan 0.000 0.282 307 S C -0.344 174.237 174.600 -0.033 0.000 1.170 307 S CA -1.100 57.079 58.200 -0.036 0.000 1.054 307 S CB 0.487 63.676 63.200 -0.018 0.000 0.956 307 S HN -0.434 7.836 8.310 -0.066 0.000 0.490 308 S N 7.738 123.415 115.700 -0.038 0.000 2.608 308 S HA 0.017 nan 4.470 nan 0.000 0.261 308 S C -0.583 174.024 174.600 0.012 0.000 1.314 308 S CA 1.393 59.587 58.200 -0.010 0.000 0.992 308 S CB 0.774 63.972 63.200 -0.002 0.000 0.935 308 S HN 0.436 8.755 8.310 -0.043 -0.034 0.564 309 D N 0.694 121.107 120.400 0.022 0.000 2.091 309 D HA -0.097 nan 4.640 nan 0.000 0.199 309 D C 1.322 177.632 176.300 0.016 0.000 0.980 309 D CA 2.836 56.845 54.000 0.015 0.000 0.831 309 D CB 0.629 41.424 40.800 -0.008 0.000 0.987 309 D HN 0.332 8.635 8.370 0.032 0.087 0.460 310 E N -1.977 118.240 120.200 0.027 0.000 2.279 310 E HA -0.351 nan 4.350 nan 0.000 0.205 310 E C -0.334 176.284 176.600 0.030 0.000 1.028 310 E CA 1.300 57.722 56.400 0.036 0.000 0.830 310 E CB 0.070 29.811 29.700 0.068 0.000 0.736 310 E HN -0.060 8.323 8.360 0.039 0.000 0.478 311 S N -2.168 113.547 115.700 0.025 0.000 4.002 311 S HA -0.285 nan 4.470 nan 0.000 0.478 311 S C 0.420 175.041 174.600 0.036 0.000 1.092 311 S CA 0.952 59.167 58.200 0.026 0.000 0.838 311 S CB 0.300 63.521 63.200 0.036 0.000 0.749 311 S HN -0.087 8.092 8.310 0.022 0.144 0.453 312 K N 3.310 123.728 120.400 0.030 0.000 2.186 312 K HA -0.042 nan 4.320 nan 0.000 0.202 312 K C -0.738 175.928 176.600 0.111 0.000 1.052 312 K CA 1.684 58.002 56.287 0.051 0.000 0.965 312 K CB 0.858 33.375 32.500 0.029 0.000 0.746 312 K HN -0.164 8.305 8.250 0.004 -0.217 0.457 313 N N -4.507 114.305 118.700 0.187 0.000 2.336 313 N HA 0.123 nan 4.740 nan 0.000 0.290 313 N C -0.220 175.455 175.510 0.274 0.000 1.058 313 N CA -1.131 52.085 53.050 0.277 0.000 0.865 313 N CB 2.664 41.402 38.487 0.419 0.000 1.581 313 N HN -0.666 7.803 8.380 0.148 0.000 0.480 314 V N -1.783 118.229 119.914 0.163 0.000 2.436 314 V HA 0.130 nan 4.120 nan 0.000 0.240 314 V C 1.138 177.259 176.094 0.045 0.000 1.040 314 V CA 2.009 64.361 62.300 0.087 0.000 1.052 314 V CB 0.058 31.927 31.823 0.077 0.000 0.707 314 V HN 0.424 8.704 8.190 0.151 0.000 0.469 315 E N 1.050 121.312 120.200 0.104 0.000 2.152 315 E HA -0.355 nan 4.350 nan 0.000 0.192 315 E C 1.751 178.434 176.600 0.138 0.000 0.983 315 E CA 2.656 59.134 56.400 0.130 0.000 0.818 315 E CB -0.301 29.485 29.700 0.144 0.000 0.758 315 E HN -0.280 8.302 8.360 0.131 -0.143 0.467 316 Y N 1.138 121.425 120.300 -0.023 0.000 2.176 316 Y HA -0.317 nan 4.550 nan 0.000 0.291 316 Y C 2.046 177.748 175.900 -0.331 0.000 1.122 316 Y CA 4.693 62.685 58.100 -0.180 0.000 1.128 316 Y CB 0.893 39.150 38.460 -0.338 0.000 1.005 316 Y HN -0.331 8.314 8.280 0.192 -0.250 0.509 317 Y N -3.939 116.334 120.300 -0.046 0.000 2.462 317 Y HA -0.027 nan 4.550 nan 0.000 0.261 317 Y C -0.041 175.474 175.900 -0.641 0.000 1.146 317 Y CA 0.837 58.827 58.100 -0.184 0.000 1.283 317 Y CB 0.361 38.796 38.460 -0.042 0.000 1.090 317 Y HN -0.655 7.681 8.280 0.093 0.000 0.526 318 G N -0.521 107.685 108.800 -0.989 0.000 2.525 318 G HA2 -0.414 nan 3.960 nan 0.000 0.248 318 G HA3 -0.414 nan 3.960 nan 0.000 0.248 318 G C -2.183 172.381 174.900 -0.560 0.000 1.238 318 G CA 0.091 44.179 45.100 -1.687 0.000 0.926 318 G HN -0.306 7.524 8.290 -0.550 0.130 0.574 319 S N -0.050 115.459 115.700 -0.318 0.000 2.327 319 S HA 0.320 nan 4.470 nan 0.000 0.203 319 S C 0.369 175.067 174.600 0.163 0.000 1.326 319 S CA -1.567 56.622 58.200 -0.018 0.000 1.248 319 S CB 0.378 63.499 63.200 -0.131 0.000 1.199 319 S HN 0.130 8.189 8.310 -0.418 0.000 0.422 320 L N 5.065 126.408 121.223 0.199 0.000 2.081 320 L HA -0.428 nan 4.340 nan 0.000 0.212 320 L C 0.169 177.413 176.870 0.624 0.000 1.080 320 L CA 3.673 58.812 54.840 0.500 0.000 0.754 320 L CB -0.232 42.111 42.059 0.473 0.000 0.893 320 L HN 0.171 8.453 8.230 0.087 0.000 0.433 321 H N -0.759 118.570 119.070 0.432 0.000 2.253 321 H HA -0.427 nan 4.556 nan 0.000 0.296 321 H C 1.895 177.329 175.328 0.176 0.000 1.074 321 H CA 4.193 60.535 56.048 0.490 0.000 1.263 321 H CB -0.334 29.676 29.762 0.413 0.000 1.363 321 H HN 0.248 8.787 8.280 0.464 0.019 0.489 322 N N -0.248 118.200 118.700 -0.420 0.000 2.084 322 N HA -0.340 nan 4.740 nan 0.000 0.190 322 N C 2.169 177.187 175.510 -0.820 0.000 1.030 322 N CA 2.639 55.200 53.050 -0.816 0.000 0.849 322 N CB -0.622 37.542 38.487 -0.537 0.000 1.012 322 N HN -0.397 7.978 8.380 -0.009 0.000 0.423 323 W N -0.983 120.145 121.300 -0.286 0.000 2.335 323 W HA -0.304 nan 4.660 nan 0.000 0.311 323 W C 1.897 178.245 176.519 -0.285 0.000 1.213 323 W CA 2.996 60.249 57.345 -0.153 0.000 1.274 323 W CB -0.094 29.468 29.460 0.170 0.000 1.148 323 W HN 0.339 8.444 8.180 -0.125 0.000 0.498 324 G N -3.290 105.368 108.800 -0.236 0.000 2.469 324 G HA2 -0.462 nan 3.960 nan 0.000 0.220 324 G HA3 -0.462 nan 3.960 nan 0.000 0.220 324 G C 1.137 175.480 174.900 -0.928 0.000 1.136 324 G CA 2.192 46.710 45.100 -0.970 0.000 0.759 324 G HN 0.183 8.470 8.290 -0.005 0.000 0.562 325 H N 1.629 120.125 119.070 -0.958 0.000 2.353 325 H HA -0.292 nan 4.556 nan 0.000 0.300 325 H C 2.405 177.441 175.328 -0.487 0.000 1.090 325 H CA 3.569 59.159 56.048 -0.764 0.000 1.327 325 H CB 0.259 29.403 29.762 -1.031 0.000 1.383 325 H HN -0.599 7.117 8.280 -0.731 0.125 0.508 326 V N -1.456 118.271 119.914 -0.312 0.000 2.220 326 V HA -0.489 nan 4.120 nan 0.000 0.246 326 V C 2.059 178.160 176.094 0.012 0.000 1.049 326 V CA 3.862 66.158 62.300 -0.007 0.000 1.003 326 V CB -0.846 31.072 31.823 0.157 0.000 0.634 326 V HN -0.314 7.510 8.190 -0.438 0.104 0.444 327 M N -2.626 116.979 119.600 0.008 0.000 2.144 327 M HA -0.413 nan 4.480 nan 0.000 0.260 327 M C 2.106 178.388 176.300 -0.029 0.000 1.067 327 M CA 3.498 58.815 55.300 0.029 0.000 1.095 327 M CB -0.255 32.386 32.600 0.069 0.000 1.365 327 M HN -0.757 7.551 8.290 0.030 0.000 0.406 328 M N -3.245 116.249 119.600 -0.176 0.000 2.562 328 M HA -0.096 nan 4.480 nan 0.000 0.257 328 M C 0.692 176.940 176.300 -0.086 0.000 1.099 328 M CA 2.356 57.537 55.300 -0.199 0.000 1.099 328 M CB 0.382 32.738 32.600 -0.406 0.000 1.427 328 M HN -0.068 8.053 8.290 -0.281 0.000 0.489 329 A N -1.568 121.231 122.820 -0.034 0.000 2.055 329 A HA 0.119 nan 4.320 nan 0.000 0.205 329 A C 0.236 177.868 177.584 0.080 0.000 1.235 329 A CA 1.893 53.952 52.037 0.037 0.000 0.822 329 A CB 0.833 19.880 19.000 0.078 0.000 0.903 329 A HN 0.114 8.056 8.150 -0.040 0.183 0.473 330 N N -1.294 117.453 118.700 0.078 0.000 2.346 330 N HA -0.060 nan 4.740 nan 0.000 0.225 330 N C 1.403 176.985 175.510 0.120 0.000 1.144 330 N CA -0.390 52.719 53.050 0.098 0.000 0.837 330 N CB -0.961 37.572 38.487 0.076 0.000 1.069 330 N HN 0.288 8.706 8.380 0.063 0.000 0.487 331 I N -1.488 119.160 120.570 0.131 0.000 2.850 331 I HA -0.239 nan 4.170 nan 0.000 0.266 331 I C 0.249 176.521 176.117 0.259 0.000 1.257 331 I CA 1.695 63.110 61.300 0.192 0.000 1.465 331 I CB -0.134 37.977 38.000 0.184 0.000 1.091 331 I HN -0.174 7.973 8.210 0.105 0.126 0.467 332 T N -0.529 114.156 114.554 0.219 0.000 3.009 332 T HA -0.060 nan 4.350 nan 0.000 0.258 332 T C -1.217 173.601 174.700 0.196 0.000 1.063 332 T CA 1.339 63.588 62.100 0.249 0.000 1.139 332 T CB 0.751 69.742 68.868 0.205 0.000 0.890 332 T HN 0.009 8.301 8.240 0.181 0.057 0.471 333 D N -1.546 118.955 120.400 0.169 0.000 3.117 333 D HA 0.417 nan 4.640 nan 0.000 0.241 333 D C -2.170 174.228 176.300 0.163 0.000 1.385 333 D CA -1.403 52.713 54.000 0.194 0.000 0.855 333 D CB 0.698 41.713 40.800 0.358 0.000 1.498 333 D HN -0.310 7.964 8.370 0.142 0.181 0.584 334 P HA -0.139 nan 4.420 nan 0.000 0.215 334 P C 0.865 178.219 177.300 0.089 0.000 1.157 334 P CA 1.779 64.933 63.100 0.090 0.000 0.856 334 P CB 0.133 31.885 31.700 0.087 0.000 0.786 335 D N -1.961 118.457 120.400 0.030 0.000 2.158 335 D HA -0.265 nan 4.640 nan 0.000 0.197 335 D C 0.545 176.859 176.300 0.023 0.000 0.995 335 D CA 2.062 56.056 54.000 -0.011 0.000 0.846 335 D CB -0.153 40.585 40.800 -0.104 0.000 0.941 335 D HN 0.173 8.540 8.370 -0.004 0.000 0.456 336 H N -3.986 115.029 119.070 -0.092 0.000 3.211 336 H HA -0.349 nan 4.556 nan 0.000 0.240 336 H C 0.577 175.859 175.328 -0.077 0.000 1.148 336 H CA 1.118 57.135 56.048 -0.052 0.000 1.160 336 H CB -1.041 28.708 29.762 -0.022 0.000 1.232 336 H HN -0.305 8.186 8.280 0.050 -0.181 0.321 337 R N -1.523 118.815 120.500 -0.270 0.000 2.153 337 R HA -0.348 nan 4.340 nan 0.000 0.252 337 R C 0.441 176.600 176.300 -0.235 0.000 1.158 337 R CA 2.851 58.764 56.100 -0.311 0.000 0.975 337 R CB -1.091 28.932 30.300 -0.462 0.000 0.871 337 R HN -0.313 7.849 8.270 -0.246 -0.040 0.450 338 F N -4.012 115.815 119.950 -0.204 0.000 2.416 338 F HA 0.024 nan 4.527 nan 0.000 0.296 338 F C -0.322 175.340 175.800 -0.231 0.000 1.099 338 F CA -0.699 57.201 58.000 -0.167 0.000 1.427 338 F CB 0.076 39.019 39.000 -0.095 0.000 1.079 338 F HN -0.491 7.858 8.300 -0.294 -0.225 0.536 339 Q N -4.936 114.669 119.800 -0.325 0.000 2.489 339 Q HA -0.346 nan 4.340 nan 0.000 0.259 339 Q C -0.695 175.307 176.000 0.004 0.000 0.934 339 Q CA 0.780 56.393 55.803 -0.316 0.000 1.131 339 Q CB -2.080 26.585 28.738 -0.121 0.000 1.472 339 Q HN -0.440 7.523 8.270 -0.664 -0.091 0.560 340 E N -0.369 119.891 120.200 0.100 0.000 2.376 340 E HA -0.117 nan 4.350 nan 0.000 0.266 340 E C -0.859 175.855 176.600 0.190 0.000 1.009 340 E CA 0.213 56.693 56.400 0.133 0.000 0.902 340 E CB 0.650 30.430 29.700 0.133 0.000 0.972 340 E HN -0.469 7.910 8.360 0.095 0.037 0.439 341 N N 5.589 124.331 118.700 0.070 0.000 2.434 341 N HA 0.137 nan 4.740 nan 0.000 0.268 341 N C -2.033 173.498 175.510 0.035 0.000 1.256 341 N CA -1.507 51.537 53.050 -0.009 0.000 0.914 341 N CB -0.601 37.770 38.487 -0.194 0.000 1.088 341 N HN 0.205 8.602 8.380 0.029 0.000 0.478 342 P HA -0.070 nan 4.420 nan 0.000 0.271 342 P C -0.414 177.017 177.300 0.217 0.000 1.238 342 P CA -0.008 63.168 63.100 0.126 0.000 0.794 342 P CB 0.652 32.405 31.700 0.088 0.000 0.959 343 G N -0.968 107.938 108.800 0.178 0.000 2.432 343 G HA2 -0.096 nan 3.960 nan 0.000 0.239 343 G HA3 -0.096 nan 3.960 nan 0.000 0.239 343 G C 1.164 176.170 174.900 0.178 0.000 1.291 343 G CA -0.706 44.496 45.100 0.170 0.000 0.863 343 G HN 0.048 8.422 8.290 0.139 0.000 0.560 344 V N -1.790 118.181 119.914 0.095 0.000 3.099 344 V HA -0.453 nan 4.120 nan 0.000 0.269 344 V C 1.115 177.224 176.094 0.024 0.000 1.150 344 V CA 1.949 64.221 62.300 -0.047 0.000 1.165 344 V CB -0.753 30.936 31.823 -0.223 0.000 0.756 344 V HN 0.551 8.790 8.190 0.081 0.000 0.527 345 M N -0.420 119.235 119.600 0.092 0.000 2.562 345 M HA -0.117 nan 4.480 nan 0.000 0.257 345 M C 1.566 178.110 176.300 0.407 0.000 1.099 345 M CA 1.144 56.559 55.300 0.192 0.000 1.099 345 M CB -0.936 31.682 32.600 0.030 0.000 1.427 345 M HN -0.342 7.895 8.290 0.085 0.104 0.489 346 S N -1.057 114.829 115.700 0.310 0.000 2.481 346 S HA -0.165 nan 4.470 nan 0.000 0.231 346 S C -0.274 174.400 174.600 0.123 0.000 0.996 346 S CA 2.591 60.984 58.200 0.321 0.000 0.942 346 S CB -0.105 63.186 63.200 0.151 0.000 0.768 346 S HN -0.339 8.049 8.310 0.224 0.056 0.520 347 D N -1.214 119.296 120.400 0.183 0.000 2.490 347 D HA 0.183 nan 4.640 nan 0.000 0.232 347 D C -0.453 176.012 176.300 0.276 0.000 1.053 347 D CA -0.739 53.357 54.000 0.161 0.000 0.914 347 D CB 2.621 43.536 40.800 0.191 0.000 1.431 347 D HN -0.971 7.474 8.370 0.223 0.058 0.483 348 T N 1.251 116.029 114.554 0.374 0.000 3.014 348 T HA 0.098 nan 4.350 nan 0.000 0.263 348 T C 1.576 176.582 174.700 0.510 0.000 1.078 348 T CA 2.694 65.123 62.100 0.548 0.000 1.135 348 T CB -0.406 68.771 68.868 0.515 0.000 0.895 348 T HN 0.501 8.973 8.240 0.386 0.000 0.480 349 S N 0.954 116.895 115.700 0.401 0.000 2.406 349 S HA -0.135 nan 4.470 nan 0.000 0.228 349 S C 1.279 175.720 174.600 -0.266 0.000 1.020 349 S CA 3.135 61.389 58.200 0.090 0.000 0.965 349 S CB -0.080 63.111 63.200 -0.016 0.000 0.798 349 S HN -0.362 8.672 8.310 0.516 -0.414 0.488 350 T N -1.643 112.773 114.554 -0.229 0.000 2.939 350 T HA 0.224 nan 4.350 nan 0.000 0.254 350 T C 2.206 176.682 174.700 -0.374 0.000 1.041 350 T CA 2.313 64.195 62.100 -0.364 0.000 1.142 350 T CB 0.030 68.661 68.868 -0.394 0.000 0.874 350 T HN -0.418 8.020 8.240 -0.072 -0.241 0.452 351 S N 4.142 119.667 115.700 -0.292 0.000 2.570 351 S HA -0.478 nan 4.470 nan 0.000 0.300 351 S C 1.454 175.441 174.600 -1.022 0.000 1.224 351 S CA 3.164 61.091 58.200 -0.454 0.000 1.103 351 S CB -1.266 61.835 63.200 -0.164 0.000 1.009 351 S HN -0.018 8.217 8.310 -0.126 0.000 0.458 352 L N -0.103 120.461 121.223 -1.098 0.000 2.567 352 L HA 0.105 nan 4.340 nan 0.000 0.225 352 L C 1.358 177.872 176.870 -0.594 0.000 1.119 352 L CA 1.142 55.241 54.840 -1.236 0.000 0.871 352 L CB -0.241 41.244 42.059 -0.957 0.000 1.036 352 L HN -0.672 7.029 8.230 -0.801 0.048 0.459 353 R N -0.350 119.880 120.500 -0.450 0.000 2.062 353 R HA -0.240 nan 4.340 nan 0.000 0.229 353 R C 0.034 175.987 176.300 -0.578 0.000 1.128 353 R CA 2.403 58.321 56.100 -0.304 0.000 0.960 353 R CB -0.505 29.744 30.300 -0.085 0.000 0.855 353 R HN -0.734 7.204 8.270 -0.477 0.047 0.432 354 D N 1.109 121.137 120.400 -0.620 0.000 2.382 354 D HA 0.207 nan 4.640 nan 0.000 0.259 354 D C -0.763 175.319 176.300 -0.362 0.000 1.224 354 D CA -2.564 51.008 54.000 -0.713 0.000 0.894 354 D CB 0.338 40.979 40.800 -0.264 0.000 1.127 354 D HN -0.548 7.559 8.370 -0.439 0.000 0.487 355 P HA -0.187 nan 4.420 nan 0.000 0.217 355 P C 0.782 178.152 177.300 0.118 0.000 1.148 355 P CA 2.208 65.320 63.100 0.019 0.000 0.828 355 P CB -0.014 31.697 31.700 0.018 0.000 0.783 356 I N -5.306 115.276 120.570 0.020 0.000 2.567 356 I HA -0.406 nan 4.170 nan 0.000 0.257 356 I C 1.009 177.117 176.117 -0.015 0.000 1.184 356 I CA 2.324 63.635 61.300 0.018 0.000 1.451 356 I CB -0.744 37.227 38.000 -0.047 0.000 1.089 356 I HN -0.859 7.305 8.210 -0.039 0.022 0.441 357 F N 2.234 122.004 119.950 -0.299 0.000 2.085 357 F HA -0.592 nan 4.527 nan 0.000 0.299 357 F C 0.646 176.076 175.800 -0.617 0.000 1.096 357 F CA 4.578 62.238 58.000 -0.567 0.000 1.227 357 F CB 0.038 38.503 39.000 -0.891 0.000 0.983 357 F HN -0.360 7.796 8.300 -0.023 0.130 0.482 358 Y N -5.283 114.913 120.300 -0.173 0.000 2.395 358 Y HA -0.342 nan 4.550 nan 0.000 0.293 358 Y C 1.895 177.814 175.900 0.030 0.000 1.123 358 Y CA 3.049 61.054 58.100 -0.158 0.000 1.227 358 Y CB -0.632 37.738 38.460 -0.151 0.000 1.012 358 Y HN -0.685 7.513 8.280 -0.112 0.015 0.552 359 R N 0.841 121.458 120.500 0.196 0.000 2.073 359 R HA -0.394 nan 4.340 nan 0.000 0.234 359 R C 2.172 178.622 176.300 0.250 0.000 1.134 359 R CA 3.635 59.868 56.100 0.222 0.000 0.952 359 R CB -0.398 30.028 30.300 0.211 0.000 0.850 359 R HN -0.369 7.848 8.270 0.156 0.147 0.433 360 W N -1.575 119.759 121.300 0.056 0.000 2.425 360 W HA -0.204 nan 4.660 nan 0.000 0.277 360 W C 0.774 177.453 176.519 0.267 0.000 1.231 360 W CA 3.640 61.074 57.345 0.147 0.000 1.248 360 W CB 0.217 29.659 29.460 -0.030 0.000 1.117 360 W HN -0.265 8.058 8.180 0.238 0.000 0.568 361 H N -1.757 117.311 119.070 -0.004 0.000 2.525 361 H HA 0.039 nan 4.556 nan 0.000 0.275 361 H C 2.892 178.243 175.328 0.038 0.000 0.984 361 H CA 2.861 58.889 56.048 -0.033 0.000 1.264 361 H CB 0.099 29.746 29.762 -0.192 0.000 1.432 361 H HN -0.583 7.689 8.280 0.305 0.192 0.549 362 R N -0.017 120.606 120.500 0.206 0.000 2.115 362 R HA -0.187 nan 4.340 nan 0.000 0.226 362 R C 1.690 178.066 176.300 0.127 0.000 1.100 362 R CA 1.859 58.063 56.100 0.172 0.000 0.980 362 R CB -0.883 29.527 30.300 0.184 0.000 0.875 362 R HN 0.265 8.672 8.270 0.228 0.000 0.445 363 F N 1.887 121.763 119.950 -0.122 0.000 2.051 363 F HA -0.297 nan 4.527 nan 0.000 0.296 363 F C 1.583 177.206 175.800 -0.295 0.000 1.122 363 F CA 2.734 60.566 58.000 -0.279 0.000 1.201 363 F CB -0.192 38.469 39.000 -0.565 0.000 0.978 363 F HN -0.793 7.467 8.300 0.156 0.133 0.472 364 I N -4.738 115.532 120.570 -0.499 0.000 2.208 364 I HA -0.614 nan 4.170 nan 0.000 0.245 364 I C 1.321 177.369 176.117 -0.115 0.000 1.097 364 I CA 3.691 64.730 61.300 -0.436 0.000 1.363 364 I CB -0.737 37.158 38.000 -0.175 0.000 1.051 364 I HN -0.077 7.866 8.210 -0.446 0.000 0.413 365 D N 0.204 120.670 120.400 0.111 0.000 2.149 365 D HA -0.381 nan 4.640 nan 0.000 0.198 365 D C 2.063 178.442 176.300 0.132 0.000 0.990 365 D CA 3.710 57.888 54.000 0.297 0.000 0.839 365 D CB -0.145 40.807 40.800 0.255 0.000 0.948 365 D HN -0.428 7.976 8.370 0.057 0.000 0.460 366 N N -0.951 117.746 118.700 -0.006 0.000 2.166 366 N HA -0.250 nan 4.740 nan 0.000 0.186 366 N C 2.597 178.020 175.510 -0.145 0.000 1.019 366 N CA 3.177 56.205 53.050 -0.038 0.000 0.856 366 N CB -0.120 38.376 38.487 0.015 0.000 0.993 366 N HN 0.061 8.189 8.380 -0.038 0.229 0.426 367 I N 0.347 120.726 120.570 -0.319 0.000 2.142 367 I HA -0.522 nan 4.170 nan 0.000 0.240 367 I C 1.638 177.548 176.117 -0.345 0.000 1.078 367 I CA 4.221 65.278 61.300 -0.404 0.000 1.343 367 I CB -0.171 37.458 38.000 -0.619 0.000 1.046 367 I HN -0.572 7.287 8.210 -0.403 0.110 0.405 368 F N -1.236 118.550 119.950 -0.274 0.000 2.161 368 F HA -0.456 nan 4.527 nan 0.000 0.300 368 F C 2.292 177.846 175.800 -0.410 0.000 1.089 368 F CA 4.062 61.813 58.000 -0.416 0.000 1.282 368 F CB -0.988 37.570 39.000 -0.737 0.000 1.010 368 F HN -0.362 7.745 8.300 -0.322 0.000 0.485 369 Q N -2.250 117.503 119.800 -0.078 0.000 2.124 369 Q HA -0.358 nan 4.340 nan 0.000 0.202 369 Q C 2.880 178.808 176.000 -0.120 0.000 0.977 369 Q CA 3.193 58.955 55.803 -0.068 0.000 0.850 369 Q CB -0.827 27.916 28.738 0.008 0.000 0.901 369 Q HN 0.632 8.774 8.270 -0.010 0.122 0.429 370 E N -0.026 120.093 120.200 -0.135 0.000 2.110 370 E HA -0.391 nan 4.350 nan 0.000 0.193 370 E C 2.318 178.791 176.600 -0.213 0.000 0.988 370 E CA 3.023 59.330 56.400 -0.154 0.000 0.804 370 E CB -0.288 29.322 29.700 -0.150 0.000 0.745 370 E HN -0.173 8.015 8.360 -0.135 0.092 0.458 371 H N 0.541 119.387 119.070 -0.373 0.000 2.357 371 H HA -0.168 nan 4.556 nan 0.000 0.301 371 H C 2.438 177.193 175.328 -0.955 0.000 1.082 371 H CA 2.726 58.438 56.048 -0.561 0.000 1.342 371 H CB 0.064 29.572 29.762 -0.423 0.000 1.389 371 H HN -0.527 7.558 8.280 -0.152 0.104 0.511 372 K N -1.994 117.996 120.400 -0.682 0.000 2.097 372 K HA -0.315 nan 4.320 nan 0.000 0.206 372 K C 2.522 178.900 176.600 -0.371 0.000 1.049 372 K CA 2.069 58.055 56.287 -0.502 0.000 0.933 372 K CB -0.533 31.881 32.500 -0.143 0.000 0.717 372 K HN -0.071 7.941 8.250 -0.397 0.000 0.442 373 K N -1.712 118.518 120.400 -0.284 0.000 2.097 373 K HA -0.183 nan 4.320 nan 0.000 0.206 373 K C 2.322 178.793 176.600 -0.215 0.000 1.049 373 K CA 2.433 58.606 56.287 -0.190 0.000 0.933 373 K CB 0.202 32.621 32.500 -0.134 0.000 0.717 373 K HN -0.104 7.797 8.250 -0.268 0.188 0.442 374 S N -2.156 113.377 115.700 -0.277 0.000 2.453 374 S HA -0.141 nan 4.470 nan 0.000 0.231 374 S C 0.592 175.081 174.600 -0.184 0.000 1.005 374 S CA 1.983 60.081 58.200 -0.170 0.000 0.949 374 S CB 0.408 63.622 63.200 0.024 0.000 0.774 374 S HN -0.369 7.738 8.310 -0.339 0.000 0.510 375 F N 2.750 122.574 119.950 -0.209 0.000 2.496 375 F HA -0.020 nan 4.527 nan 0.000 0.344 375 F C -0.023 175.577 175.800 -0.335 0.000 1.155 375 F CA -0.143 57.709 58.000 -0.247 0.000 1.302 375 F CB -0.066 38.818 39.000 -0.193 0.000 1.159 375 F HN -0.824 7.005 8.300 -0.654 0.079 0.595 376 H N 1.143 120.256 119.070 0.073 0.000 2.511 376 H HA 0.148 nan 4.556 nan 0.000 0.346 376 H C -1.433 173.797 175.328 -0.163 0.000 1.128 376 H CA -0.998 55.030 56.048 -0.033 0.000 1.342 376 H CB -0.066 29.680 29.762 -0.027 0.000 1.470 376 H HN 0.238 8.630 8.280 0.187 0.000 0.546 377 P HA -0.165 nan 4.420 nan 0.000 0.271 377 P C -1.228 175.971 177.300 -0.169 0.000 1.228 377 P CA 0.671 63.707 63.100 -0.107 0.000 0.797 377 P CB 0.426 32.150 31.700 0.039 0.000 0.914 378 Y N -0.602 119.782 120.300 0.139 0.000 2.327 378 Y HA -0.018 nan 4.550 nan 0.000 0.336 378 Y C 0.300 176.230 175.900 0.049 0.000 1.035 378 Y CA 0.358 58.512 58.100 0.091 0.000 1.165 378 Y CB 0.343 38.832 38.460 0.048 0.000 1.181 378 Y HN 0.239 8.617 8.280 0.162 0.000 0.494 379 T N 4.900 119.586 114.554 0.220 0.000 2.932 379 T HA 0.051 nan 4.350 nan 0.000 0.312 379 T C 1.088 175.825 174.700 0.061 0.000 1.071 379 T CA -0.034 62.132 62.100 0.110 0.000 1.128 379 T CB 0.540 69.458 68.868 0.084 0.000 0.984 379 T HN 0.321 8.710 8.240 0.249 0.000 0.549 380 K N 3.896 124.304 120.400 0.013 0.000 2.103 380 K HA -0.464 nan 4.320 nan 0.000 0.207 380 K C 2.147 178.733 176.600 -0.023 0.000 1.048 380 K CA 3.875 60.140 56.287 -0.036 0.000 0.930 380 K CB -0.110 32.374 32.500 -0.026 0.000 0.716 380 K HN 0.441 8.706 8.250 0.026 0.000 0.444 381 E N -0.218 119.986 120.200 0.006 0.000 2.035 381 E HA -0.303 nan 4.350 nan 0.000 0.204 381 E C 2.251 178.863 176.600 0.019 0.000 1.025 381 E CA 3.257 59.666 56.400 0.014 0.000 0.835 381 E CB -0.501 29.212 29.700 0.022 0.000 0.764 381 E HN 0.096 8.461 8.360 0.013 0.003 0.457 382 E N -1.397 118.827 120.200 0.040 0.000 2.085 382 E HA -0.265 nan 4.350 nan 0.000 0.194 382 E C 1.114 177.719 176.600 0.007 0.000 0.994 382 E CA 2.260 58.691 56.400 0.052 0.000 0.801 382 E CB -0.746 29.044 29.700 0.150 0.000 0.743 382 E HN 0.135 8.529 8.360 0.056 0.000 0.453 383 L N -4.854 116.332 121.223 -0.061 0.000 2.465 383 L HA -0.114 nan 4.340 nan 0.000 0.224 383 L C 0.006 176.821 176.870 -0.093 0.000 1.145 383 L CA 0.867 55.602 54.840 -0.175 0.000 0.834 383 L CB 0.252 42.109 42.059 -0.337 0.000 0.944 383 L HN -0.389 7.726 8.230 -0.038 0.093 0.451 384 S N -1.076 114.613 115.700 -0.019 0.000 2.420 384 S HA 0.091 nan 4.470 nan 0.000 0.313 384 S C -1.437 173.245 174.600 0.136 0.000 1.079 384 S CA -0.249 57.975 58.200 0.039 0.000 1.104 384 S CB 0.465 63.673 63.200 0.014 0.000 0.969 384 S HN -0.489 7.626 8.310 -0.012 0.188 0.471 385 F N 8.631 128.564 119.950 -0.028 0.000 2.487 385 F HA 0.184 nan 4.527 nan 0.000 0.364 385 F C -1.999 173.796 175.800 -0.008 0.000 1.126 385 F CA -3.338 54.656 58.000 -0.010 0.000 1.135 385 F CB 0.289 39.288 39.000 -0.001 0.000 1.127 385 F HN 0.240 8.980 8.300 0.241 -0.295 0.559 386 P HA 0.026 nan 4.420 nan 0.000 0.267 386 P C -0.421 176.749 177.300 -0.216 0.000 1.205 386 P CA 0.463 63.516 63.100 -0.078 0.000 0.765 386 P CB 0.123 31.801 31.700 -0.037 0.000 0.828 387 G N 2.192 110.898 108.800 -0.156 0.000 2.336 387 G HA2 -0.368 nan 3.960 nan 0.000 0.233 387 G HA3 -0.368 nan 3.960 nan 0.000 0.233 387 G C -1.039 173.749 174.900 -0.186 0.000 1.053 387 G CA 0.386 45.389 45.100 -0.162 0.000 0.625 387 G HN 0.367 8.597 8.290 -0.100 0.000 0.511 388 V N 2.881 122.618 119.914 -0.294 0.000 2.455 388 V HA 0.006 nan 4.120 nan 0.000 0.273 388 V C -1.058 174.992 176.094 -0.073 0.000 1.045 388 V CA -0.150 62.019 62.300 -0.219 0.000 0.976 388 V CB -0.215 31.371 31.823 -0.396 0.000 0.993 388 V HN -0.714 7.145 8.190 -0.418 0.079 0.475 389 E N 8.045 128.229 120.200 -0.027 0.000 2.129 389 E HA 0.250 nan 4.350 nan 0.000 0.268 389 E C -0.255 176.367 176.600 0.037 0.000 0.900 389 E CA -1.697 54.709 56.400 0.010 0.000 0.755 389 E CB 2.799 32.501 29.700 0.003 0.000 1.117 389 E HN 0.230 8.441 8.360 -0.034 0.129 0.410 390 V N 9.063 129.014 119.914 0.062 0.000 2.415 390 V HA -0.165 nan 4.120 nan 0.000 0.252 390 V C 0.062 176.193 176.094 0.062 0.000 1.043 390 V CA 1.703 64.048 62.300 0.076 0.000 1.149 390 V CB -1.850 30.034 31.823 0.101 0.000 1.143 390 V HN 0.751 8.982 8.190 0.068 0.000 0.478 391 V N 7.445 127.391 119.914 0.052 0.000 3.305 391 V HA -0.049 nan 4.120 nan 0.000 0.269 391 V C 0.309 176.433 176.094 0.049 0.000 1.157 391 V CA 0.600 62.925 62.300 0.043 0.000 1.157 391 V CB -0.399 31.445 31.823 0.035 0.000 0.772 391 V HN 0.545 8.671 8.190 0.053 0.096 0.498 392 G N -3.379 105.459 108.800 0.064 0.000 2.361 392 G HA2 -0.116 nan 3.960 nan 0.000 0.305 392 G HA3 -0.116 nan 3.960 nan 0.000 0.305 392 G C -3.097 171.858 174.900 0.092 0.000 1.367 392 G CA 0.167 45.310 45.100 0.071 0.000 0.951 392 G HN -0.703 7.602 8.290 0.070 0.027 0.615 393 V N -1.894 118.085 119.914 0.108 0.000 3.160 393 V HA 0.806 nan 4.120 nan 0.000 0.310 393 V C -1.396 174.771 176.094 0.122 0.000 1.181 393 V CA -2.310 60.076 62.300 0.144 0.000 1.047 393 V CB 3.632 35.583 31.823 0.213 0.000 1.068 393 V HN 0.244 8.492 8.190 0.096 0.000 0.441 394 S N -0.852 114.924 115.700 0.127 0.000 2.552 394 S HA 0.522 nan 4.470 nan 0.000 0.272 394 S C -2.057 172.595 174.600 0.087 0.000 1.150 394 S CA 0.119 58.376 58.200 0.096 0.000 0.849 394 S CB 3.840 67.078 63.200 0.063 0.000 1.113 394 S HN -0.134 8.264 8.310 0.146 0.000 0.458 395 I N -1.841 118.774 120.570 0.075 0.000 2.404 395 I HA 0.632 nan 4.170 nan 0.000 0.293 395 I C -2.097 174.055 176.117 0.058 0.000 0.992 395 I CA -1.990 59.351 61.300 0.068 0.000 1.149 395 I CB 1.759 39.854 38.000 0.158 0.000 1.315 395 I HN 0.623 9.222 8.210 0.072 -0.346 0.446 396 N N 7.795 126.523 118.700 0.048 0.000 2.558 396 N HA 0.361 nan 4.740 nan 0.000 0.242 396 N C -0.511 175.038 175.510 0.066 0.000 0.979 396 N CA -0.338 52.736 53.050 0.041 0.000 0.931 396 N CB 1.036 39.536 38.487 0.021 0.000 1.122 396 N HN -0.142 8.251 8.380 0.021 0.000 0.508 397 S N 6.191 121.926 115.700 0.058 0.000 3.320 397 S HA 0.108 nan 4.470 nan 0.000 0.185 397 S C 0.186 174.803 174.600 0.027 0.000 1.028 397 S CA 1.179 59.414 58.200 0.059 0.000 1.641 397 S CB 0.574 63.780 63.200 0.010 0.000 0.630 397 S HN 0.399 8.730 8.310 0.035 0.000 0.555 398 K N 1.663 122.066 120.400 0.004 0.000 2.148 398 K HA -0.127 nan 4.320 nan 0.000 0.204 398 K C -0.553 176.044 176.600 -0.005 0.000 1.050 398 K CA 1.697 57.980 56.287 -0.006 0.000 0.942 398 K CB 0.463 32.949 32.500 -0.023 0.000 0.724 398 K HN -0.195 8.463 8.250 -0.004 -0.410 0.446 399 T N -0.836 113.715 114.554 -0.005 0.000 2.831 399 T HA 0.225 nan 4.350 nan 0.000 0.287 399 T C -2.261 172.441 174.700 0.004 0.000 1.070 399 T CA -1.900 60.199 62.100 -0.002 0.000 1.010 399 T CB 3.296 72.159 68.868 -0.008 0.000 1.264 399 T HN -0.718 7.492 8.240 -0.007 0.026 0.532 400 A N -0.280 122.544 122.820 0.007 0.000 2.407 400 A HA 0.108 nan 4.320 nan 0.000 0.248 400 A C 0.139 177.729 177.584 0.011 0.000 1.082 400 A CA 0.461 52.506 52.037 0.014 0.000 0.785 400 A CB 0.021 19.031 19.000 0.016 0.000 1.020 400 A HN 0.111 8.264 8.150 0.006 0.000 0.489 401 N N -1.954 116.756 118.700 0.017 0.000 2.678 401 N HA -0.353 nan 4.740 nan 0.000 0.249 401 N C -1.257 174.251 175.510 -0.004 0.000 1.119 401 N CA 1.418 54.477 53.050 0.015 0.000 0.718 401 N CB -1.587 36.916 38.487 0.027 0.000 1.060 401 N HN 0.077 8.473 8.380 0.027 0.000 0.552 402 V N -9.449 110.449 119.914 -0.025 0.000 2.769 402 V HA 0.766 nan 4.120 nan 0.000 0.312 402 V C -2.318 173.712 176.094 -0.106 0.000 1.061 402 V CA -2.646 59.625 62.300 -0.050 0.000 0.931 402 V CB 3.615 35.416 31.823 -0.036 0.000 1.010 402 V HN -0.929 7.184 8.190 -0.020 0.065 0.433 403 I N 1.494 121.962 120.570 -0.170 0.000 2.693 403 I HA 0.445 nan 4.170 nan 0.000 0.303 403 I C -2.001 174.035 176.117 -0.135 0.000 1.025 403 I CA -2.114 59.050 61.300 -0.227 0.000 1.086 403 I CB 3.496 41.206 38.000 -0.484 0.000 1.268 403 I HN 0.554 8.564 8.210 -0.160 0.104 0.440 404 T N 7.443 121.944 114.554 -0.089 0.000 2.809 404 T HA 0.448 nan 4.350 nan 0.000 0.284 404 T C -1.246 173.447 174.700 -0.011 0.000 0.992 404 T CA -0.622 61.451 62.100 -0.045 0.000 0.957 404 T CB 1.574 70.413 68.868 -0.048 0.000 0.942 404 T HN 0.166 8.355 8.240 -0.086 0.000 0.439 405 T N 7.732 122.306 114.554 0.032 0.000 2.918 405 T HA 0.663 nan 4.350 nan 0.000 0.283 405 T C -1.760 172.973 174.700 0.055 0.000 1.001 405 T CA -1.926 60.238 62.100 0.107 0.000 1.041 405 T CB 1.095 70.078 68.868 0.192 0.000 1.028 405 T HN 0.625 8.886 8.240 0.036 0.000 0.511 406 L N 1.297 122.578 121.223 0.097 0.000 2.301 406 L HA 0.648 nan 4.340 nan 0.000 0.249 406 L C -1.472 175.497 176.870 0.165 0.000 1.069 406 L CA -1.296 53.549 54.840 0.008 0.000 0.865 406 L CB 3.794 45.856 42.059 0.004 0.000 1.467 406 L HN -0.288 7.943 8.230 0.181 0.108 0.419 407 I N -0.489 120.138 120.570 0.097 0.000 2.392 407 I HA 0.419 nan 4.170 nan 0.000 0.295 407 I C -1.803 174.306 176.117 -0.013 0.000 0.985 407 I CA -2.115 59.271 61.300 0.143 0.000 1.221 407 I CB 1.368 39.488 38.000 0.201 0.000 1.366 407 I HN 0.215 8.421 8.210 -0.007 0.000 0.467 408 K N 8.814 129.093 120.400 -0.202 0.000 2.545 408 K HA 0.392 nan 4.320 nan 0.000 0.252 408 K C -1.325 174.955 176.600 -0.533 0.000 0.948 408 K CA -1.663 54.394 56.287 -0.383 0.000 0.827 408 K CB 2.592 34.798 32.500 -0.490 0.000 1.128 408 K HN 0.840 8.835 8.250 -0.246 0.108 0.429 409 E N 5.642 125.647 120.200 -0.325 0.000 2.398 409 E HA 0.121 nan 4.350 nan 0.000 0.263 409 E C -1.030 175.246 176.600 -0.539 0.000 1.046 409 E CA 0.374 56.490 56.400 -0.473 0.000 0.908 409 E CB 0.499 29.981 29.700 -0.363 0.000 0.963 409 E HN 0.405 8.652 8.360 -0.189 0.000 0.431 410 S N 1.713 116.966 115.700 -0.745 0.000 2.727 410 S HA 0.342 nan 4.470 nan 0.000 0.278 410 S C -2.085 172.067 174.600 -0.746 0.000 1.186 410 S CA -0.878 56.886 58.200 -0.727 0.000 0.836 410 S CB 2.108 64.829 63.200 -0.799 0.000 1.186 410 S HN 0.425 8.225 8.310 -0.850 0.000 0.499 411 L N -0.575 120.415 121.223 -0.388 0.000 2.309 411 L HA 0.538 nan 4.340 nan 0.000 0.261 411 L C -1.761 175.217 176.870 0.180 0.000 1.021 411 L CA -1.154 53.632 54.840 -0.090 0.000 0.823 411 L CB 3.228 45.253 42.059 -0.058 0.000 1.366 411 L HN 0.338 8.398 8.230 -0.284 0.000 0.423 412 L N 0.056 121.388 121.223 0.183 0.000 2.543 412 L HA 0.272 nan 4.340 nan 0.000 0.265 412 L C -2.093 174.830 176.870 0.087 0.000 0.945 412 L CA -0.063 54.865 54.840 0.147 0.000 0.869 412 L CB 3.152 45.303 42.059 0.154 0.000 1.294 412 L HN -0.162 8.146 8.230 0.131 0.000 0.405 413 E N 6.518 126.754 120.200 0.061 0.000 1.941 413 E HA 0.210 nan 4.350 nan 0.000 0.275 413 E C 0.710 177.383 176.600 0.121 0.000 1.113 413 E CA -0.888 55.569 56.400 0.095 0.000 0.878 413 E CB 0.035 29.811 29.700 0.128 0.000 1.070 413 E HN 0.300 8.678 8.360 0.030 0.000 0.399 414 L N 6.149 127.431 121.223 0.098 0.000 2.083 414 L HA -0.383 nan 4.340 nan 0.000 0.209 414 L C 1.455 178.391 176.870 0.109 0.000 1.083 414 L CA 3.020 57.918 54.840 0.097 0.000 0.752 414 L CB -0.349 41.767 42.059 0.095 0.000 0.899 414 L HN 0.931 9.213 8.230 0.086 0.000 0.433 415 S N -0.713 115.059 115.700 0.120 0.000 2.434 415 S HA -0.507 nan 4.470 nan 0.000 0.250 415 S C 2.142 176.771 174.600 0.049 0.000 1.102 415 S CA 3.058 61.356 58.200 0.163 0.000 1.104 415 S CB -0.476 62.682 63.200 -0.069 0.000 0.957 415 S HN -0.212 8.158 8.310 0.100 0.000 0.456 416 H N -0.198 118.826 119.070 -0.077 0.000 2.326 416 H HA -0.168 nan 4.556 nan 0.000 0.301 416 H C 1.908 177.085 175.328 -0.251 0.000 1.081 416 H CA 2.983 58.846 56.048 -0.308 0.000 1.334 416 H CB 0.131 29.589 29.762 -0.508 0.000 1.385 416 H HN -0.836 7.489 8.280 0.131 0.033 0.504 417 G N -2.900 105.879 108.800 -0.034 0.000 2.404 417 G HA2 -0.137 nan 3.960 nan 0.000 0.214 417 G HA3 -0.137 nan 3.960 nan 0.000 0.214 417 G C -0.311 174.572 174.900 -0.028 0.000 1.189 417 G CA 0.880 45.937 45.100 -0.073 0.000 0.789 417 G HN -0.275 8.034 8.290 0.032 0.000 0.533 418 I N -3.630 116.965 120.570 0.041 0.000 3.076 418 I HA 0.443 nan 4.170 nan 0.000 0.313 418 I C -1.906 174.249 176.117 0.064 0.000 1.053 418 I CA -3.253 58.078 61.300 0.052 0.000 1.048 418 I CB 2.156 40.194 38.000 0.063 0.000 1.264 418 I HN -0.323 7.817 8.210 0.065 0.109 0.498 419 N N 1.590 120.282 118.700 -0.014 0.000 2.415 419 N HA -0.057 nan 4.740 nan 0.000 0.250 419 N C -0.040 175.394 175.510 -0.127 0.000 1.127 419 N CA -0.538 52.408 53.050 -0.174 0.000 0.945 419 N CB -0.650 37.691 38.487 -0.243 0.000 1.196 419 N HN -0.014 8.358 8.380 -0.014 0.000 0.499 420 F N 1.556 121.513 119.950 0.011 0.000 2.161 420 F HA -0.140 nan 4.527 nan 0.000 0.300 420 F C 1.380 177.171 175.800 -0.015 0.000 1.089 420 F CA 0.777 58.776 58.000 -0.001 0.000 1.282 420 F CB -0.200 38.797 39.000 -0.004 0.000 1.010 420 F HN -0.333 7.823 8.300 -0.240 0.000 0.485 421 G N -0.543 108.044 108.800 -0.355 0.000 3.548 421 G HA2 -0.551 nan 3.960 nan 0.000 0.224 421 G HA3 -0.551 nan 3.960 nan 0.000 0.224 421 G C 0.430 175.364 174.900 0.056 0.000 1.351 421 G CA 1.550 46.532 45.100 -0.198 0.000 0.905 421 G HN -0.251 7.529 8.290 -1.037 -0.113 0.561 422 T N 0.652 115.337 114.554 0.219 0.000 3.348 422 T HA 0.130 nan 4.350 nan 0.000 0.233 422 T C 0.249 175.109 174.700 0.267 0.000 0.960 422 T CA 0.192 62.422 62.100 0.218 0.000 1.343 422 T CB 0.914 69.852 68.868 0.116 0.000 1.068 422 T HN 0.185 8.484 8.240 0.184 0.051 0.410 423 D N 2.271 122.785 120.400 0.190 0.000 2.352 423 D HA -0.151 nan 4.640 nan 0.000 0.238 423 D C 0.409 176.596 176.300 -0.190 0.000 1.286 423 D CA 0.236 54.251 54.000 0.026 0.000 0.923 423 D CB 0.532 41.350 40.800 0.029 0.000 1.146 423 D HN -0.361 8.144 8.370 0.225 0.000 0.471 424 Q N -1.400 118.281 119.800 -0.198 0.000 2.016 424 Q HA -0.137 nan 4.340 nan 0.000 0.200 424 Q C 0.755 176.512 176.000 -0.405 0.000 0.978 424 Q CA 2.581 58.197 55.803 -0.312 0.000 0.833 424 Q CB 0.833 29.468 28.738 -0.171 0.000 0.895 424 Q HN -0.042 8.161 8.270 -0.112 0.000 0.427 425 S N -4.917 110.653 115.700 -0.217 0.000 2.543 425 S HA 0.276 nan 4.470 nan 0.000 0.273 425 S C -2.607 171.966 174.600 -0.046 0.000 1.152 425 S CA -0.182 57.935 58.200 -0.138 0.000 0.910 425 S CB 2.339 65.486 63.200 -0.088 0.000 1.105 425 S HN -0.715 7.614 8.310 -0.147 -0.107 0.465 426 V N 1.652 121.568 119.914 0.005 0.000 2.409 426 V HA 0.772 nan 4.120 nan 0.000 0.291 426 V C -1.597 174.525 176.094 0.047 0.000 1.020 426 V CA -2.701 59.623 62.300 0.041 0.000 0.848 426 V CB 1.397 33.267 31.823 0.078 0.000 0.990 426 V HN 0.754 8.949 8.190 0.007 0.000 0.430 427 K N 4.882 125.304 120.400 0.038 0.000 2.270 427 K HA 0.732 nan 4.320 nan 0.000 0.255 427 K C -2.077 174.555 176.600 0.054 0.000 0.936 427 K CA -2.528 53.784 56.287 0.041 0.000 0.809 427 K CB 2.968 35.475 32.500 0.013 0.000 1.131 427 K HN 0.661 8.829 8.250 0.032 0.101 0.427 428 V N 4.129 124.094 119.914 0.085 0.000 2.318 428 V HA 0.286 nan 4.120 nan 0.000 0.271 428 V C -1.502 174.658 176.094 0.111 0.000 1.030 428 V CA -2.429 59.938 62.300 0.111 0.000 0.844 428 V CB 0.691 32.602 31.823 0.148 0.000 1.015 428 V HN 0.073 8.322 8.190 0.098 0.000 0.460 429 K N 11.300 131.709 120.400 0.014 0.000 2.363 429 K HA 0.062 nan 4.320 nan 0.000 0.289 429 K C -1.011 175.519 176.600 -0.116 0.000 1.063 429 K CA 0.058 56.269 56.287 -0.128 0.000 0.967 429 K CB 0.039 32.460 32.500 -0.133 0.000 0.987 429 K HN 0.723 8.986 8.250 0.022 0.000 0.473 430 Y N 3.379 123.590 120.300 -0.148 0.000 2.618 430 Y HA 0.282 nan 4.550 nan 0.000 0.326 430 Y C -2.123 173.589 175.900 -0.313 0.000 1.168 430 Y CA -3.056 54.974 58.100 -0.117 0.000 1.269 430 Y CB 2.443 40.922 38.460 0.031 0.000 1.388 430 Y HN 0.248 8.033 8.280 -0.650 0.106 0.528 431 H N -0.689 118.495 119.070 0.190 0.000 2.609 431 H HA 0.448 nan 4.556 nan 0.000 0.344 431 H C -1.250 174.212 175.328 0.223 0.000 1.040 431 H CA -1.262 54.825 56.048 0.064 0.000 1.216 431 H CB 2.875 32.678 29.762 0.069 0.000 1.529 431 H HN -0.118 8.420 8.280 0.430 0.000 0.519 432 H N 1.500 120.703 119.070 0.220 0.000 2.797 432 H HA 0.374 nan 4.556 nan 0.000 0.372 432 H C -2.083 173.367 175.328 0.204 0.000 1.168 432 H CA -2.438 53.745 56.048 0.226 0.000 1.163 432 H CB 2.369 32.197 29.762 0.110 0.000 1.778 432 H HN 0.807 8.859 8.280 -0.183 0.118 0.551 433 L N 0.138 121.676 121.223 0.526 0.000 2.452 433 L HA 0.105 nan 4.340 nan 0.000 0.267 433 L C -1.060 176.121 176.870 0.517 0.000 1.188 433 L CA 0.840 55.932 54.840 0.419 0.000 0.821 433 L CB 1.282 43.516 42.059 0.293 0.000 1.102 433 L HN 0.372 8.949 8.230 0.578 0.000 0.470 434 D N 0.995 121.612 120.400 0.363 0.000 3.158 434 D HA 0.299 nan 4.640 nan 0.000 0.314 434 D C -2.153 174.263 176.300 0.193 0.000 1.308 434 D CA -1.994 52.168 54.000 0.269 0.000 1.001 434 D CB 2.826 43.728 40.800 0.170 0.000 1.389 434 D HN 0.370 8.930 8.370 0.318 0.000 0.595 435 H N -4.800 114.315 119.070 0.075 0.000 3.064 435 H HA 0.329 nan 4.556 nan 0.000 0.352 435 H C -1.686 173.603 175.328 -0.066 0.000 1.260 435 H CA -1.652 54.383 56.048 -0.022 0.000 1.160 435 H CB 2.772 32.491 29.762 -0.071 0.000 1.879 435 H HN -0.114 7.987 8.280 -0.298 0.000 0.544 436 E N 1.587 121.812 120.200 0.042 0.000 2.398 436 E HA 0.051 nan 4.350 nan 0.000 0.263 436 E C -1.298 175.376 176.600 0.122 0.000 1.046 436 E CA -1.636 54.778 56.400 0.023 0.000 0.908 436 E CB 0.764 30.465 29.700 0.002 0.000 0.963 436 E HN 0.231 8.490 8.360 0.033 0.121 0.431 437 P HA 0.018 nan 4.420 nan 0.000 0.271 437 P C -2.131 175.403 177.300 0.390 0.000 1.233 437 P CA 0.350 63.615 63.100 0.275 0.000 0.789 437 P CB 0.490 32.364 31.700 0.290 0.000 0.951 438 F N -5.440 114.545 119.950 0.058 0.000 2.807 438 F HA 0.496 nan 4.527 nan 0.000 0.316 438 F C -2.452 173.287 175.800 -0.102 0.000 1.162 438 F CA -2.049 55.920 58.000 -0.052 0.000 0.910 438 F CB 2.376 41.302 39.000 -0.124 0.000 1.314 438 F HN -0.254 8.254 8.300 0.347 0.000 0.454 439 T N -0.571 113.822 114.554 -0.268 0.000 2.916 439 T HA 0.621 nan 4.350 nan 0.000 0.292 439 T C -1.622 172.754 174.700 -0.540 0.000 1.055 439 T CA -1.584 60.261 62.100 -0.425 0.000 1.009 439 T CB 2.865 71.632 68.868 -0.168 0.000 1.118 439 T HN -0.156 8.059 8.240 -0.042 0.000 0.497 440 Y N 1.830 122.042 120.300 -0.147 0.000 2.313 440 Y HA 0.217 nan 4.550 nan 0.000 0.332 440 Y C -1.307 174.581 175.900 -0.020 0.000 1.071 440 Y CA -0.842 57.243 58.100 -0.025 0.000 1.169 440 Y CB 1.234 39.693 38.460 -0.002 0.000 1.192 440 Y HN 0.512 8.553 8.280 -0.224 0.105 0.487 441 N N 3.536 122.304 118.700 0.113 0.000 2.446 441 N HA 0.429 nan 4.740 nan 0.000 0.265 441 N C -2.213 173.363 175.510 0.111 0.000 0.975 441 N CA -0.804 52.292 53.050 0.078 0.000 0.928 441 N CB 2.519 41.033 38.487 0.045 0.000 1.160 441 N HN -0.088 8.359 8.380 0.112 0.000 0.495 442 I N 6.058 126.688 120.570 0.098 0.000 2.418 442 I HA 0.613 nan 4.170 nan 0.000 0.287 442 I C -2.555 173.605 176.117 0.070 0.000 1.008 442 I CA -1.946 59.416 61.300 0.102 0.000 1.104 442 I CB 2.993 41.067 38.000 0.122 0.000 1.264 442 I HN 0.469 8.720 8.210 0.068 0.000 0.438 443 V N 9.012 128.968 119.914 0.069 0.000 2.532 443 V HA 0.675 nan 4.120 nan 0.000 0.295 443 V C -1.556 174.574 176.094 0.059 0.000 1.041 443 V CA -1.616 60.718 62.300 0.057 0.000 0.926 443 V CB 1.329 33.181 31.823 0.048 0.000 0.992 443 V HN 0.808 8.934 8.190 0.077 0.110 0.457 444 V N 5.319 125.266 119.914 0.055 0.000 2.841 444 V HA 0.407 nan 4.120 nan 0.000 0.310 444 V C -2.045 174.067 176.094 0.031 0.000 1.090 444 V CA -1.222 61.108 62.300 0.050 0.000 0.930 444 V CB 4.330 36.194 31.823 0.069 0.000 1.014 444 V HN 0.883 9.017 8.190 0.052 0.087 0.425 445 E N 6.354 126.562 120.200 0.015 0.000 2.070 445 E HA 0.272 nan 4.350 nan 0.000 0.261 445 E C -1.360 175.226 176.600 -0.024 0.000 0.926 445 E CA -2.357 54.042 56.400 -0.001 0.000 0.760 445 E CB 1.253 30.952 29.700 -0.003 0.000 1.133 445 E HN 0.728 8.979 8.360 0.016 0.118 0.420 446 N N 8.213 126.896 118.700 -0.028 0.000 2.739 446 N HA 0.019 nan 4.740 nan 0.000 0.266 446 N C 0.728 176.202 175.510 -0.059 0.000 1.168 446 N CA -1.306 51.707 53.050 -0.061 0.000 1.055 446 N CB -0.350 38.104 38.487 -0.055 0.000 1.393 446 N HN 0.348 8.631 8.380 -0.011 0.090 0.514 447 N N 4.265 122.926 118.700 -0.064 0.000 2.192 447 N HA -0.339 nan 4.740 nan 0.000 0.188 447 N C -0.080 175.398 175.510 -0.054 0.000 1.013 447 N CA 2.359 55.378 53.050 -0.052 0.000 0.863 447 N CB -0.007 38.449 38.487 -0.052 0.000 0.990 447 N HN -0.240 8.065 8.380 -0.073 0.031 0.430 448 S N -0.610 115.046 115.700 -0.074 0.000 2.533 448 S HA 0.004 nan 4.470 nan 0.000 0.282 448 S C 1.062 175.630 174.600 -0.054 0.000 1.304 448 S CA 0.310 58.469 58.200 -0.067 0.000 1.063 448 S CB 0.357 63.504 63.200 -0.089 0.000 0.881 448 S HN -0.693 7.529 8.310 -0.096 0.031 0.493 449 G N 1.584 110.360 108.800 -0.040 0.000 2.479 449 G HA2 -0.242 nan 3.960 nan 0.000 0.220 449 G HA3 -0.242 nan 3.960 nan 0.000 0.220 449 G C -0.940 173.938 174.900 -0.036 0.000 1.115 449 G CA 0.853 45.934 45.100 -0.033 0.000 0.757 449 G HN 0.432 8.700 8.290 -0.037 0.000 0.560 450 A N -0.985 121.809 122.820 -0.043 0.000 2.310 450 A HA 0.130 nan 4.320 nan 0.000 0.299 450 A C -0.679 176.863 177.584 -0.071 0.000 1.147 450 A CA -1.574 50.435 52.037 -0.047 0.000 0.818 450 A CB 1.059 20.037 19.000 -0.037 0.000 1.096 450 A HN -0.667 7.419 8.150 -0.045 0.037 0.495 451 E N 1.142 121.291 120.200 -0.085 0.000 2.652 451 E HA -0.310 nan 4.350 nan 0.000 0.255 451 E C -1.027 175.463 176.600 -0.183 0.000 0.952 451 E CA 0.994 57.314 56.400 -0.133 0.000 0.947 451 E CB 0.083 29.681 29.700 -0.169 0.000 0.912 451 E HN 0.361 8.679 8.360 -0.069 0.000 0.489 452 K N 4.844 125.157 120.400 -0.144 0.000 2.185 452 K HA 0.235 nan 4.320 nan 0.000 0.269 452 K C -1.227 175.380 176.600 0.012 0.000 0.987 452 K CA -1.571 54.678 56.287 -0.063 0.000 0.865 452 K CB 1.774 34.242 32.500 -0.053 0.000 1.090 452 K HN 0.572 8.676 8.250 -0.106 0.082 0.450 453 H N 4.168 123.426 119.070 0.313 0.000 2.552 453 H HA 0.511 nan 4.556 nan 0.000 0.311 453 H C -0.298 175.313 175.328 0.470 0.000 1.071 453 H CA -1.010 55.293 56.048 0.424 0.000 1.307 453 H CB 1.127 31.177 29.762 0.480 0.000 1.416 453 H HN 0.468 8.909 8.280 0.268 0.000 0.464 454 S N 4.024 120.032 115.700 0.513 0.000 2.648 454 S HA 0.709 nan 4.470 nan 0.000 0.305 454 S C -0.710 173.996 174.600 0.177 0.000 1.094 454 S CA -1.711 56.628 58.200 0.232 0.000 0.983 454 S CB 2.035 65.359 63.200 0.208 0.000 1.101 454 S HN 0.688 9.285 8.310 0.478 0.000 0.514 455 T N 2.039 116.574 114.554 -0.032 0.000 2.791 455 T HA 0.372 nan 4.350 nan 0.000 0.288 455 T C -1.288 173.287 174.700 -0.208 0.000 0.999 455 T CA -0.475 61.602 62.100 -0.038 0.000 0.952 455 T CB 0.732 69.642 68.868 0.070 0.000 0.938 455 T HN 0.654 8.643 8.240 -0.227 0.115 0.444 456 V N 7.421 127.097 119.914 -0.396 0.000 2.318 456 V HA 0.373 nan 4.120 nan 0.000 0.271 456 V C -0.883 175.005 176.094 -0.343 0.000 1.030 456 V CA -1.095 60.912 62.300 -0.489 0.000 0.844 456 V CB -0.352 30.851 31.823 -1.033 0.000 1.015 456 V HN 1.047 8.832 8.190 -0.498 0.107 0.460 457 R N 7.535 127.962 120.500 -0.121 0.000 2.207 457 R HA 0.596 nan 4.340 nan 0.000 0.334 457 R C -1.060 175.264 176.300 0.039 0.000 1.013 457 R CA -1.062 55.028 56.100 -0.018 0.000 0.858 457 R CB 0.565 30.966 30.300 0.169 0.000 1.094 457 R HN 0.422 8.641 8.270 -0.084 0.000 0.457 458 I N 4.099 124.618 120.570 -0.085 0.000 2.493 458 I HA 0.635 nan 4.170 nan 0.000 0.298 458 I C -1.492 174.636 176.117 0.018 0.000 0.998 458 I CA -1.019 60.305 61.300 0.041 0.000 1.137 458 I CB 2.673 40.570 38.000 -0.170 0.000 1.310 458 I HN 0.760 8.758 8.210 -0.179 0.105 0.445 459 F N 4.472 124.591 119.950 0.281 0.000 2.593 459 F HA 0.789 nan 4.527 nan 0.000 0.320 459 F C -1.553 174.487 175.800 0.399 0.000 1.060 459 F CA -1.575 56.644 58.000 0.365 0.000 0.940 459 F CB 4.270 43.535 39.000 0.441 0.000 1.268 459 F HN 0.429 8.998 8.300 0.618 0.102 0.475 460 L N 1.265 122.821 121.223 0.555 0.000 2.406 460 L HA 0.672 nan 4.340 nan 0.000 0.272 460 L C -2.366 174.693 176.870 0.315 0.000 0.980 460 L CA -1.336 53.735 54.840 0.386 0.000 0.831 460 L CB 3.547 45.755 42.059 0.248 0.000 1.253 460 L HN 0.893 9.345 8.230 0.558 0.113 0.406 461 A N 5.989 128.901 122.820 0.155 0.000 2.483 461 A HA 0.841 nan 4.320 nan 0.000 0.286 461 A C -3.478 174.111 177.584 0.009 0.000 1.207 461 A CA -2.705 49.256 52.037 -0.127 0.000 0.764 461 A CB 1.981 20.481 19.000 -0.833 0.000 1.341 461 A HN 1.017 9.174 8.150 0.198 0.112 0.428 462 P HA 0.311 nan 4.420 nan 0.000 0.292 462 P C -1.450 175.630 177.300 -0.366 0.000 1.283 462 P CA -0.781 62.047 63.100 -0.454 0.000 0.835 462 P CB 1.279 32.657 31.700 -0.538 0.000 1.017 463 K N 1.231 121.403 120.400 -0.381 0.000 2.166 463 K HA -0.059 nan 4.320 nan 0.000 0.201 463 K C 0.541 176.900 176.600 -0.401 0.000 1.052 463 K CA 1.207 57.283 56.287 -0.351 0.000 0.969 463 K CB 0.890 33.180 32.500 -0.350 0.000 0.761 463 K HN -0.244 7.719 8.250 -0.479 0.000 0.459 464 Y N -1.969 118.175 120.300 -0.260 0.000 2.314 464 Y HA -0.153 nan 4.550 nan 0.000 0.334 464 Y C -0.521 175.259 175.900 -0.200 0.000 1.266 464 Y CA 1.986 59.961 58.100 -0.207 0.000 1.391 464 Y CB 0.781 39.115 38.460 -0.210 0.000 1.306 464 Y HN -0.866 7.237 8.280 -0.295 0.000 0.558 465 D N 0.779 121.219 120.400 0.065 0.000 2.567 465 D HA 0.155 nan 4.640 nan 0.000 0.275 465 D C -0.481 175.810 176.300 -0.015 0.000 1.195 465 D CA -1.277 52.715 54.000 -0.013 0.000 1.087 465 D CB 2.237 43.024 40.800 -0.022 0.000 1.165 465 D HN 0.210 8.549 8.370 0.133 0.112 0.609 466 E N -1.497 118.678 120.200 -0.042 0.000 2.474 466 E HA -0.034 nan 4.350 nan 0.000 0.195 466 E C -0.750 175.826 176.600 -0.040 0.000 1.039 466 E CA 1.113 57.481 56.400 -0.054 0.000 0.881 466 E CB 0.103 29.767 29.700 -0.059 0.000 0.970 466 E HN 0.297 8.629 8.360 -0.046 0.000 0.486 467 L N -0.882 120.327 121.223 -0.023 0.000 2.276 467 L HA 0.202 nan 4.340 nan 0.000 0.194 467 L C 0.435 177.304 176.870 -0.002 0.000 1.099 467 L CA 1.743 56.573 54.840 -0.016 0.000 0.800 467 L CB -0.063 41.987 42.059 -0.015 0.000 0.994 467 L HN -0.101 8.042 8.230 -0.019 0.076 0.475 468 N N -4.406 114.309 118.700 0.024 0.000 3.449 468 N HA -0.012 nan 4.740 nan 0.000 0.312 468 N C -2.038 173.549 175.510 0.128 0.000 1.557 468 N CA -0.686 52.405 53.050 0.069 0.000 0.864 468 N CB 1.398 39.910 38.487 0.041 0.000 1.799 468 N HN -0.562 7.829 8.380 0.019 0.000 0.554 469 N N -0.098 118.688 118.700 0.142 0.000 2.434 469 N HA -0.128 nan 4.740 nan 0.000 0.273 469 N C -1.492 173.971 175.510 -0.080 0.000 1.210 469 N CA 0.827 53.859 53.050 -0.029 0.000 0.992 469 N CB -0.054 38.326 38.487 -0.179 0.000 1.355 469 N HN 0.208 8.682 8.380 0.156 0.000 0.495 470 K N 3.144 123.497 120.400 -0.077 0.000 2.572 470 K HA 0.272 nan 4.320 nan 0.000 0.244 470 K C -0.287 176.258 176.600 -0.090 0.000 0.965 470 K CA -1.510 54.734 56.287 -0.072 0.000 0.943 470 K CB 1.066 33.540 32.500 -0.042 0.000 1.154 470 K HN -0.332 7.878 8.250 -0.066 0.000 0.447 471 L N 6.516 127.683 121.223 -0.092 0.000 2.930 471 L HA -0.001 nan 4.340 nan 0.000 0.250 471 L C -0.823 176.015 176.870 -0.053 0.000 1.320 471 L CA -0.889 53.897 54.840 -0.091 0.000 1.163 471 L CB -1.734 40.275 42.059 -0.084 0.000 1.542 471 L HN 0.858 9.037 8.230 -0.085 0.000 0.428 472 E N 1.545 121.711 120.200 -0.057 0.000 2.081 472 E HA 0.003 nan 4.350 nan 0.000 0.270 472 E C -1.296 175.275 176.600 -0.047 0.000 1.180 472 E CA -1.199 55.178 56.400 -0.038 0.000 0.926 472 E CB -0.649 29.028 29.700 -0.038 0.000 1.035 472 E HN -0.247 7.962 8.360 -0.068 0.109 0.418 473 P HA -0.124 nan 4.420 nan 0.000 0.222 473 P C 0.731 178.028 177.300 -0.004 0.000 1.153 473 P CA 2.426 65.529 63.100 0.005 0.000 0.798 473 P CB 0.297 32.012 31.700 0.024 0.000 0.796 474 D N -0.351 120.033 120.400 -0.027 0.000 2.097 474 D HA -0.323 nan 4.640 nan 0.000 0.197 474 D C 1.405 177.707 176.300 0.003 0.000 0.984 474 D CA 3.368 57.361 54.000 -0.011 0.000 0.826 474 D CB -0.428 40.362 40.800 -0.017 0.000 0.973 474 D HN 0.311 8.662 8.370 -0.032 0.000 0.460 475 E N -1.741 118.448 120.200 -0.018 0.000 2.085 475 E HA -0.351 nan 4.350 nan 0.000 0.194 475 E C 2.481 179.050 176.600 -0.052 0.000 0.994 475 E CA 2.992 59.374 56.400 -0.029 0.000 0.801 475 E CB -0.160 29.512 29.700 -0.047 0.000 0.743 475 E HN 0.114 8.460 8.360 -0.024 0.000 0.453 476 Q N -1.434 118.306 119.800 -0.100 0.000 2.291 476 Q HA -0.245 nan 4.340 nan 0.000 0.205 476 Q C 2.259 178.199 176.000 -0.100 0.000 0.970 476 Q CA 2.571 58.229 55.803 -0.242 0.000 0.876 476 Q CB -0.250 28.195 28.738 -0.488 0.000 0.935 476 Q HN 0.117 8.155 8.270 -0.089 0.179 0.455 477 R N -1.452 119.137 120.500 0.148 0.000 2.200 477 R HA -0.268 nan 4.340 nan 0.000 0.234 477 R C 1.714 178.144 176.300 0.217 0.000 1.127 477 R CA 2.608 58.889 56.100 0.301 0.000 0.989 477 R CB -0.489 29.937 30.300 0.210 0.000 0.869 477 R HN -0.209 8.003 8.270 0.096 0.116 0.459 478 R N -2.923 117.647 120.500 0.116 0.000 2.148 478 R HA -0.092 nan 4.340 nan 0.000 0.223 478 R C 1.177 177.522 176.300 0.075 0.000 1.088 478 R CA 1.289 57.449 56.100 0.100 0.000 0.985 478 R CB -0.135 30.207 30.300 0.069 0.000 0.880 478 R HN -0.656 7.621 8.270 0.071 0.036 0.451 479 L N -1.467 119.771 121.223 0.025 0.000 2.316 479 L HA 0.063 nan 4.340 nan 0.000 0.207 479 L C 0.801 177.702 176.870 0.051 0.000 1.070 479 L CA 0.738 55.569 54.840 -0.016 0.000 0.820 479 L CB 0.110 42.093 42.059 -0.128 0.000 0.992 479 L HN -0.350 7.704 8.230 -0.005 0.173 0.466 480 F N -0.656 119.304 119.950 0.015 0.000 2.512 480 F HA -0.303 nan 4.527 nan 0.000 0.406 480 F C 0.245 176.201 175.800 0.260 0.000 0.990 480 F CA 2.558 60.611 58.000 0.088 0.000 1.137 480 F CB -0.231 38.708 39.000 -0.103 0.000 0.960 480 F HN -0.218 8.096 8.300 0.024 0.000 0.533 481 I N -0.379 120.521 120.570 0.550 0.000 2.465 481 I HA 0.404 nan 4.170 nan 0.000 0.291 481 I C -1.638 174.640 176.117 0.268 0.000 1.014 481 I CA -2.173 59.336 61.300 0.349 0.000 1.093 481 I CB 3.318 41.421 38.000 0.171 0.000 1.267 481 I HN 0.739 9.173 8.210 0.563 0.115 0.431 482 E N 6.470 126.676 120.200 0.010 0.000 2.217 482 E HA 0.025 nan 4.350 nan 0.000 0.279 482 E C -0.654 175.864 176.600 -0.136 0.000 1.068 482 E CA -0.041 56.079 56.400 -0.467 0.000 0.882 482 E CB 0.907 30.396 29.700 -0.352 0.000 1.039 482 E HN 0.086 8.841 8.360 0.160 -0.299 0.418 483 L N 6.167 127.329 121.223 -0.101 0.000 2.375 483 L HA 0.115 nan 4.340 nan 0.000 0.215 483 L C -1.018 175.848 176.870 -0.007 0.000 1.108 483 L CA 0.595 55.457 54.840 0.037 0.000 0.830 483 L CB 0.912 43.094 42.059 0.205 0.000 0.959 483 L HN 0.828 8.845 8.230 -0.170 0.111 0.457 484 D N -3.105 117.247 120.400 -0.079 0.000 2.683 484 D HA 0.189 nan 4.640 nan 0.000 0.246 484 D C -3.038 173.247 176.300 -0.024 0.000 1.238 484 D CA -0.373 53.614 54.000 -0.022 0.000 0.759 484 D CB 2.682 43.475 40.800 -0.012 0.000 1.349 484 D HN -0.818 7.455 8.370 -0.161 0.000 0.426 485 K N 2.081 122.526 120.400 0.075 0.000 2.651 485 K HA 0.476 nan 4.320 nan 0.000 0.259 485 K C -1.881 174.807 176.600 0.148 0.000 1.017 485 K CA -0.238 56.069 56.287 0.033 0.000 0.897 485 K CB 1.709 34.217 32.500 0.012 0.000 1.262 485 K HN 0.142 8.475 8.250 0.138 0.000 0.460 486 F N 0.652 120.585 119.950 -0.028 0.000 2.675 486 F HA 0.432 nan 4.527 nan 0.000 0.324 486 F C -2.391 173.441 175.800 0.053 0.000 1.106 486 F CA -2.506 55.493 58.000 -0.001 0.000 0.970 486 F CB 2.574 41.555 39.000 -0.032 0.000 1.385 486 F HN 0.016 8.086 8.300 -0.383 0.000 0.489 487 F N -0.218 119.768 119.950 0.060 0.000 2.436 487 F HA 0.433 nan 4.527 nan 0.000 0.340 487 F C -2.274 173.661 175.800 0.226 0.000 1.113 487 F CA -1.695 56.219 58.000 -0.145 0.000 1.022 487 F CB 2.184 40.791 39.000 -0.656 0.000 1.128 487 F HN -0.046 8.488 8.300 0.389 0.000 0.466 488 Y N 7.221 127.351 120.300 -0.284 0.000 2.638 488 Y HA 0.236 nan 4.550 nan 0.000 0.339 488 Y C -2.270 173.450 175.900 -0.299 0.000 1.084 488 Y CA -1.275 56.608 58.100 -0.361 0.000 1.068 488 Y CB 4.725 43.206 38.460 0.035 0.000 1.294 488 Y HN -0.215 8.157 8.280 0.154 0.000 0.480 489 T N 3.944 118.129 114.554 -0.615 0.000 2.841 489 T HA 0.591 nan 4.350 nan 0.000 0.283 489 T C -1.585 172.940 174.700 -0.291 0.000 1.000 489 T CA -0.646 61.276 62.100 -0.296 0.000 0.977 489 T CB 1.225 69.958 68.868 -0.224 0.000 0.979 489 T HN -0.003 7.436 8.240 -1.336 0.000 0.446 490 L N 5.905 127.073 121.223 -0.092 0.000 2.372 490 L HA 0.431 nan 4.340 nan 0.000 0.273 490 L C -0.493 176.348 176.870 -0.048 0.000 0.989 490 L CA -1.023 53.820 54.840 0.005 0.000 0.841 490 L CB 2.211 44.326 42.059 0.092 0.000 1.225 490 L HN 0.837 8.900 8.230 -0.111 0.100 0.414 491 T N 2.511 117.041 114.554 -0.040 0.000 2.748 491 T HA 0.214 nan 4.350 nan 0.000 0.304 491 T C -0.948 173.733 174.700 -0.030 0.000 1.041 491 T CA -2.132 59.942 62.100 -0.043 0.000 1.033 491 T CB -1.088 67.762 68.868 -0.031 0.000 0.995 491 T HN 0.135 8.565 8.240 -0.012 -0.197 0.536 492 P HA -0.293 nan 4.420 nan 0.000 0.268 492 P C -0.696 176.595 177.300 -0.015 0.000 1.208 492 P CA 0.554 63.636 63.100 -0.029 0.000 0.777 492 P CB 0.118 31.802 31.700 -0.028 0.000 0.875 493 G N 2.276 111.067 108.800 -0.015 0.000 2.542 493 G HA2 -0.420 nan 3.960 nan 0.000 0.235 493 G HA3 -0.420 nan 3.960 nan 0.000 0.235 493 G C -1.471 173.432 174.900 0.005 0.000 1.286 493 G CA -0.371 44.725 45.100 -0.005 0.000 0.904 493 G HN -0.068 8.104 8.290 -0.024 0.103 0.577 494 K N 2.999 123.406 120.400 0.012 0.000 2.419 494 K HA -0.174 nan 4.320 nan 0.000 0.282 494 K C -0.834 175.786 176.600 0.034 0.000 1.056 494 K CA 1.040 57.340 56.287 0.022 0.000 1.035 494 K CB -0.226 32.286 32.500 0.020 0.000 0.921 494 K HN 0.117 8.372 8.250 0.008 0.000 0.472 495 N N 5.456 124.185 118.700 0.048 0.000 2.269 495 N HA 0.298 nan 4.740 nan 0.000 0.304 495 N C -1.681 173.872 175.510 0.071 0.000 1.072 495 N CA -0.513 52.582 53.050 0.075 0.000 0.802 495 N CB 4.249 42.800 38.487 0.107 0.000 1.348 495 N HN 0.552 8.856 8.380 0.044 0.103 0.484 496 T N -3.580 111.020 114.554 0.075 0.000 2.841 496 T HA 0.669 nan 4.350 nan 0.000 0.283 496 T C -0.911 173.798 174.700 0.015 0.000 1.000 496 T CA -1.733 60.395 62.100 0.047 0.000 0.977 496 T CB 1.455 70.344 68.868 0.036 0.000 0.979 496 T HN 0.199 8.495 8.240 0.092 0.000 0.446 497 I N 2.762 123.295 120.570 -0.061 0.000 2.530 497 I HA 0.446 nan 4.170 nan 0.000 0.297 497 I C -1.521 174.517 176.117 -0.130 0.000 1.011 497 I CA -1.324 59.818 61.300 -0.263 0.000 1.107 497 I CB 3.882 41.678 38.000 -0.341 0.000 1.285 497 I HN 0.540 8.742 8.210 -0.013 0.000 0.436 498 V N 5.063 124.879 119.914 -0.164 0.000 2.588 498 V HA 0.594 nan 4.120 nan 0.000 0.304 498 V C -1.475 174.527 176.094 -0.153 0.000 1.042 498 V CA -1.355 60.890 62.300 -0.091 0.000 0.877 498 V CB 1.794 33.579 31.823 -0.064 0.000 0.996 498 V HN 0.118 8.158 8.190 -0.250 0.000 0.425 499 R N 7.276 127.715 120.500 -0.101 0.000 2.510 499 R HA 0.344 nan 4.340 nan 0.000 0.294 499 R C -1.886 174.337 176.300 -0.129 0.000 1.056 499 R CA -1.757 54.236 56.100 -0.178 0.000 0.918 499 R CB 2.961 33.111 30.300 -0.250 0.000 1.187 499 R HN 0.334 8.588 8.270 -0.026 0.000 0.437 500 N N 6.428 125.017 118.700 -0.185 0.000 2.518 500 N HA 0.145 nan 4.740 nan 0.000 0.283 500 N C 0.779 176.158 175.510 -0.219 0.000 1.119 500 N CA -0.428 52.503 53.050 -0.198 0.000 0.983 500 N CB 0.877 39.280 38.487 -0.141 0.000 1.139 500 N HN 0.464 8.723 8.380 -0.201 0.000 0.465 501 H N 3.472 122.359 119.070 -0.305 0.000 2.375 501 H HA -0.540 nan 4.556 nan 0.000 0.289 501 H C 1.777 177.106 175.328 0.002 0.000 1.121 501 H CA 4.293 60.232 56.048 -0.182 0.000 1.207 501 H CB -0.051 29.755 29.762 0.072 0.000 1.355 501 H HN 0.645 8.785 8.280 -0.233 0.000 0.486 502 Q N -1.593 117.792 119.800 -0.691 0.000 2.124 502 Q HA -0.278 nan 4.340 nan 0.000 0.202 502 Q C 0.834 176.701 176.000 -0.222 0.000 0.977 502 Q CA 2.536 57.978 55.803 -0.601 0.000 0.850 502 Q CB -0.717 27.787 28.738 -0.390 0.000 0.901 502 Q HN 0.289 8.211 8.270 -0.480 0.060 0.429 503 D N -2.452 117.837 120.400 -0.184 0.000 2.352 503 D HA 0.099 nan 4.640 nan 0.000 0.236 503 D C -0.190 176.060 176.300 -0.083 0.000 1.148 503 D CA -0.908 53.017 54.000 -0.124 0.000 0.844 503 D CB -0.977 39.727 40.800 -0.159 0.000 0.933 503 D HN -0.694 7.516 8.370 -0.223 0.026 0.507 504 S N 0.515 116.192 115.700 -0.038 0.000 2.544 504 S HA -0.175 nan 4.470 nan 0.000 0.290 504 S C 0.470 175.060 174.600 -0.017 0.000 1.276 504 S CA 0.650 58.853 58.200 0.005 0.000 1.075 504 S CB 0.357 63.600 63.200 0.071 0.000 0.849 504 S HN -0.728 7.457 8.310 -0.044 0.098 0.494 505 S N 8.607 124.294 115.700 -0.022 0.000 2.727 505 S HA -0.026 nan 4.470 nan 0.000 0.226 505 S C 0.372 174.923 174.600 -0.082 0.000 0.963 505 S CA 1.751 59.934 58.200 -0.028 0.000 0.950 505 S CB -0.651 62.551 63.200 0.003 0.000 0.779 505 S HN 0.336 8.796 8.310 -0.006 -0.154 0.532 506 V N -6.637 113.169 119.914 -0.180 0.000 3.635 506 V HA 0.387 nan 4.120 nan 0.000 0.266 506 V C -0.989 175.034 176.094 -0.120 0.000 1.316 506 V CA 0.011 62.061 62.300 -0.416 0.000 1.060 506 V CB 0.834 32.015 31.823 -1.069 0.000 0.820 506 V HN -0.762 7.258 8.190 -0.124 0.096 0.447 507 T N -1.082 113.474 114.554 0.004 0.000 2.928 507 T HA 0.491 nan 4.350 nan 0.000 0.284 507 T C -0.836 173.928 174.700 0.107 0.000 1.008 507 T CA -2.023 60.142 62.100 0.107 0.000 1.057 507 T CB 1.444 70.389 68.868 0.128 0.000 1.018 507 T HN -0.716 7.512 8.240 -0.021 0.000 0.493 508 I N 3.229 123.874 120.570 0.125 0.000 2.474 508 I HA -0.058 nan 4.170 nan 0.000 0.287 508 I C -0.895 175.264 176.117 0.069 0.000 1.048 508 I CA -1.161 60.189 61.300 0.083 0.000 1.383 508 I CB 1.566 39.618 38.000 0.088 0.000 1.412 508 I HN 0.071 8.372 8.210 0.152 0.000 0.531 509 S N 7.799 123.516 115.700 0.028 0.000 2.339 509 S HA -0.006 nan 4.470 nan 0.000 0.189 509 S C 0.250 174.857 174.600 0.011 0.000 0.966 509 S CA 1.069 59.284 58.200 0.025 0.000 0.925 509 S CB 0.674 63.871 63.200 -0.005 0.000 0.890 509 S HN -0.141 8.331 8.310 0.007 -0.158 0.539 510 K N 2.876 123.256 120.400 -0.033 0.000 2.267 510 K HA 0.100 nan 4.320 nan 0.000 0.282 510 K C -1.043 175.507 176.600 -0.084 0.000 1.078 510 K CA -1.251 55.008 56.287 -0.046 0.000 0.903 510 K CB 0.039 32.506 32.500 -0.056 0.000 1.111 510 K HN -0.211 8.008 8.250 -0.052 0.000 0.475 511 V N 4.836 124.731 119.914 -0.031 0.000 3.096 511 V HA 0.065 nan 4.120 nan 0.000 0.306 511 V C -0.697 175.374 176.094 -0.038 0.000 1.088 511 V CA -0.201 62.083 62.300 -0.027 0.000 1.129 511 V CB 0.937 32.775 31.823 0.025 0.000 1.014 511 V HN -0.010 8.182 8.190 0.003 0.000 0.486 512 R N 5.033 125.518 120.500 -0.026 0.000 2.476 512 R HA 0.307 nan 4.340 nan 0.000 0.305 512 R C -1.413 174.898 176.300 0.018 0.000 0.965 512 R CA -1.341 54.762 56.100 0.005 0.000 0.867 512 R CB 2.027 32.356 30.300 0.049 0.000 1.176 512 R HN -0.106 8.155 8.270 -0.016 0.000 0.447 513 T N 4.293 118.857 114.554 0.016 0.000 2.904 513 T HA 0.229 nan 4.350 nan 0.000 0.290 513 T C 0.916 175.636 174.700 0.033 0.000 1.018 513 T CA -1.378 60.728 62.100 0.009 0.000 1.075 513 T CB 1.262 70.126 68.868 -0.007 0.000 0.986 513 T HN 0.211 8.462 8.240 0.017 0.000 0.523 514 F N 5.929 125.772 119.950 -0.179 0.000 2.184 514 F HA -0.440 nan 4.527 nan 0.000 0.301 514 F C 1.083 176.839 175.800 -0.074 0.000 1.076 514 F CA 3.994 61.896 58.000 -0.163 0.000 1.295 514 F CB 0.356 39.148 39.000 -0.346 0.000 1.026 514 F HN 0.399 9.062 8.300 0.066 -0.324 0.494 515 D N -2.548 117.959 120.400 0.177 0.000 2.097 515 D HA -0.276 nan 4.640 nan 0.000 0.195 515 D C 2.620 178.976 176.300 0.092 0.000 0.989 515 D CA 3.301 57.401 54.000 0.167 0.000 0.827 515 D CB -0.569 40.302 40.800 0.120 0.000 0.966 515 D HN -0.505 7.878 8.370 0.064 0.025 0.456 516 Q N -0.643 119.189 119.800 0.053 0.000 2.124 516 Q HA -0.264 nan 4.340 nan 0.000 0.202 516 Q C 2.594 178.601 176.000 0.012 0.000 0.977 516 Q CA 2.620 58.442 55.803 0.033 0.000 0.850 516 Q CB 0.120 28.877 28.738 0.032 0.000 0.901 516 Q HN -0.639 7.661 8.270 0.049 0.000 0.429 517 L N -1.167 120.045 121.223 -0.018 0.000 2.131 517 L HA -0.297 nan 4.340 nan 0.000 0.210 517 L C 2.318 179.142 176.870 -0.076 0.000 1.092 517 L CA 2.232 57.019 54.840 -0.088 0.000 0.759 517 L CB -0.706 41.227 42.059 -0.210 0.000 0.903 517 L HN -0.330 7.895 8.230 -0.009 0.000 0.435 518 G N -2.664 106.131 108.800 -0.007 0.000 2.479 518 G HA2 -0.282 nan 3.960 nan 0.000 0.220 518 G HA3 -0.282 nan 3.960 nan 0.000 0.220 518 G C -0.537 174.375 174.900 0.021 0.000 1.115 518 G CA 1.044 46.167 45.100 0.038 0.000 0.757 518 G HN -0.105 8.137 8.290 0.031 0.066 0.560 519 A N 0.477 123.302 122.820 0.010 0.000 2.182 519 A HA 0.458 nan 4.320 nan 0.000 0.222 519 A C -0.755 176.817 177.584 -0.019 0.000 1.904 519 A CA -0.162 51.876 52.037 0.002 0.000 0.808 519 A CB 1.559 20.566 19.000 0.011 0.000 1.404 519 A HN -0.287 7.694 8.150 0.011 0.176 0.587 520 G N -1.199 107.590 108.800 -0.018 0.000 3.239 520 G HA2 -0.181 nan 3.960 nan 0.000 0.666 520 G HA3 -0.181 nan 3.960 nan 0.000 0.666 520 G C -1.888 173.007 174.900 -0.009 0.000 1.313 520 G CA -0.214 44.868 45.100 -0.030 0.000 1.001 520 G HN -0.251 8.035 8.290 -0.006 0.000 0.573 521 E N 2.361 122.566 120.200 0.008 0.000 2.299 521 E HA 0.301 nan 4.350 nan 0.000 0.265 521 E C -0.099 176.519 176.600 0.029 0.000 0.911 521 E CA -1.048 55.368 56.400 0.026 0.000 0.789 521 E CB 2.323 32.055 29.700 0.054 0.000 1.246 521 E HN 0.269 8.636 8.360 0.011 0.000 0.427 522 G N 0.848 109.664 108.800 0.026 0.000 2.404 522 G HA2 0.301 nan 3.960 nan 0.000 0.316 522 G HA3 0.301 nan 3.960 nan 0.000 0.316 522 G C -0.602 174.333 174.900 0.058 0.000 1.074 522 G CA -0.358 44.756 45.100 0.024 0.000 0.989 522 G HN 0.145 8.449 8.290 0.022 0.000 0.430 523 V N 1.889 121.874 119.914 0.118 0.000 3.278 523 V HA 0.148 nan 4.120 nan 0.000 0.215 523 V C -0.967 175.217 176.094 0.150 0.000 1.287 523 V CA 0.542 62.928 62.300 0.144 0.000 1.302 523 V CB 1.208 33.138 31.823 0.179 0.000 1.228 523 V HN 0.374 8.639 8.190 0.124 0.000 0.523 524 S N -2.021 113.833 115.700 0.257 0.000 2.556 524 S HA 0.151 nan 4.470 nan 0.000 0.271 524 S C -1.602 172.956 174.600 -0.071 0.000 1.135 524 S CA -1.007 57.257 58.200 0.105 0.000 0.858 524 S CB 2.516 65.799 63.200 0.138 0.000 1.114 524 S HN -0.651 7.992 8.310 0.555 0.000 0.468 525 E N 3.782 123.898 120.200 -0.141 0.000 1.964 525 E HA 0.063 nan 4.350 nan 0.000 0.264 525 E C -1.236 175.214 176.600 -0.250 0.000 1.120 525 E CA -0.404 55.838 56.400 -0.263 0.000 1.061 525 E CB -0.309 29.270 29.700 -0.202 0.000 1.190 525 E HN 0.451 8.757 8.360 -0.091 0.000 0.459 526 D N 2.813 123.035 120.400 -0.296 0.000 2.723 526 D HA 0.291 nan 4.640 nan 0.000 0.205 526 D C -1.112 175.063 176.300 -0.208 0.000 1.295 526 D CA -0.855 53.040 54.000 -0.175 0.000 1.112 526 D CB 2.878 43.655 40.800 -0.039 0.000 1.193 526 D HN -0.609 7.434 8.370 -0.492 0.032 0.610 527 S N -0.460 115.175 115.700 -0.108 0.000 4.019 527 S HA 0.218 nan 4.470 nan 0.000 0.199 527 S C 0.978 175.521 174.600 -0.095 0.000 1.177 527 S CA 0.366 58.487 58.200 -0.132 0.000 1.478 527 S CB 0.965 64.061 63.200 -0.174 0.000 1.580 527 S HN 0.086 8.367 8.310 -0.049 0.000 0.766 528 T N 2.597 117.056 114.554 -0.158 0.000 3.035 528 T HA 0.025 nan 4.350 nan 0.000 0.268 528 T C 1.099 175.653 174.700 -0.244 0.000 1.109 528 T CA 3.481 65.457 62.100 -0.206 0.000 1.119 528 T CB -0.541 68.216 68.868 -0.184 0.000 0.900 528 T HN 0.462 8.581 8.240 -0.201 0.000 0.503 529 E N 0.833 120.962 120.200 -0.119 0.000 2.057 529 E HA -0.136 nan 4.350 nan 0.000 0.190 529 E C 1.173 177.786 176.600 0.022 0.000 0.969 529 E CA 1.517 57.896 56.400 -0.035 0.000 0.812 529 E CB -0.539 29.154 29.700 -0.012 0.000 0.777 529 E HN -0.225 8.042 8.360 -0.115 0.025 0.455 530 Y N 1.249 121.508 120.300 -0.069 0.000 2.692 530 Y HA -0.464 nan 4.550 nan 0.000 0.254 530 Y C -0.937 174.955 175.900 -0.014 0.000 1.417 530 Y CA 2.342 60.413 58.100 -0.048 0.000 0.987 530 Y CB -0.567 37.844 38.460 -0.081 0.000 0.777 530 Y HN 0.041 8.397 8.280 0.126 0.000 0.557 531 C N -8.396 110.729 119.300 -0.290 0.000 3.809 531 C HA 0.332 nan 4.460 nan 0.000 0.342 531 C C -1.069 173.886 174.990 -0.057 0.000 2.837 531 C CA -2.001 56.834 59.018 -0.305 0.000 1.561 531 C CB -0.326 27.122 27.740 -0.486 0.000 3.062 531 C HN -0.335 7.763 8.230 -0.085 0.082 0.382 532 S N 0.381 116.106 115.700 0.041 0.000 2.462 532 S HA 0.173 nan 4.470 nan 0.000 0.269 532 S C -0.827 174.002 174.600 0.382 0.000 1.005 532 S CA 1.647 59.968 58.200 0.201 0.000 1.260 532 S CB 1.384 64.624 63.200 0.065 0.000 0.990 532 S HN 0.119 8.444 8.310 0.025 0.000 0.477 533 C N -0.090 119.387 119.300 0.294 0.000 2.484 533 C HA 0.366 nan 4.460 nan 0.000 0.409 533 C C -0.349 174.921 174.990 0.465 0.000 1.434 533 C CA -0.036 59.243 59.018 0.435 0.000 1.913 533 C CB 2.082 29.995 27.740 0.287 0.000 2.028 533 C HN -0.231 8.096 8.230 0.162 0.000 0.516 534 G N -0.392 108.794 108.800 0.642 0.000 2.721 534 G HA2 -0.222 nan 3.960 nan 0.000 0.686 534 G HA3 -0.222 nan 3.960 nan 0.000 0.686 534 G C -1.176 173.909 174.900 0.309 0.000 1.236 534 G CA -0.639 44.710 45.100 0.414 0.000 0.786 534 G HN -0.306 8.476 8.290 0.820 0.000 0.616 535 W N 1.933 123.213 121.300 -0.034 0.000 2.190 535 W HA 0.027 nan 4.660 nan 0.000 0.330 535 W C -1.275 175.256 176.519 0.020 0.000 1.299 535 W CA -1.851 55.460 57.345 -0.057 0.000 1.215 535 W CB 1.167 30.715 29.460 0.146 0.000 1.147 535 W HN 0.686 9.029 8.180 0.402 0.079 0.563 536 P HA -0.128 nan 4.420 nan 0.000 0.268 536 P C -0.426 176.846 177.300 -0.048 0.000 1.208 536 P CA 0.034 63.020 63.100 -0.191 0.000 0.777 536 P CB 0.550 31.981 31.700 -0.448 0.000 0.875 537 E N 3.960 124.203 120.200 0.072 0.000 2.028 537 E HA -0.386 nan 4.350 nan 0.000 0.190 537 E C 1.152 177.939 176.600 0.312 0.000 0.984 537 E CA 3.375 59.926 56.400 0.251 0.000 0.800 537 E CB -0.124 29.742 29.700 0.276 0.000 0.758 537 E HN 0.645 9.050 8.360 0.076 0.000 0.448 538 H N -3.473 115.674 119.070 0.129 0.000 2.520 538 H HA -0.175 nan 4.556 nan 0.000 0.295 538 H C 0.194 175.699 175.328 0.295 0.000 1.096 538 H CA 2.122 58.251 56.048 0.134 0.000 1.249 538 H CB -1.050 28.685 29.762 -0.046 0.000 1.365 538 H HN 0.247 8.729 8.280 0.338 0.000 0.556 539 M N -2.257 117.403 119.600 0.099 0.000 2.475 539 M HA 0.192 nan 4.480 nan 0.000 0.283 539 M C -0.162 176.387 176.300 0.416 0.000 1.165 539 M CA -2.638 52.837 55.300 0.291 0.000 0.976 539 M CB -0.753 31.999 32.600 0.252 0.000 1.428 539 M HN -0.738 7.441 8.290 -0.086 0.060 0.495 540 L N 1.189 122.626 121.223 0.356 0.000 2.131 540 L HA -0.187 nan 4.340 nan 0.000 0.210 540 L C -1.113 175.802 176.870 0.076 0.000 1.092 540 L CA 2.800 57.789 54.840 0.249 0.000 0.759 540 L CB 0.488 42.672 42.059 0.208 0.000 0.903 540 L HN -0.149 8.145 8.230 0.404 0.179 0.435 541 I N -3.583 116.958 120.570 -0.048 0.000 2.478 541 I HA 0.209 nan 4.170 nan 0.000 0.287 541 I C -2.601 173.469 176.117 -0.078 0.000 1.042 541 I CA -3.323 57.889 61.300 -0.147 0.000 1.067 541 I CB 1.874 39.649 38.000 -0.375 0.000 1.233 541 I HN -0.544 7.660 8.210 0.023 0.020 0.431 542 P HA 0.005 nan 4.420 nan 0.000 0.270 542 P C -1.406 175.823 177.300 -0.118 0.000 1.221 542 P CA -0.233 62.821 63.100 -0.077 0.000 0.788 542 P CB 0.682 32.319 31.700 -0.105 0.000 0.904 543 R N 1.410 121.861 120.500 -0.082 0.000 2.127 543 R HA -0.378 nan 4.340 nan 0.000 0.238 543 R C 0.822 177.094 176.300 -0.046 0.000 1.134 543 R CA 1.901 57.919 56.100 -0.136 0.000 0.975 543 R CB 0.463 30.498 30.300 -0.441 0.000 0.865 543 R HN 0.232 8.834 8.270 -0.033 -0.351 0.447 544 G N -2.331 106.473 108.800 0.007 0.000 2.561 544 G HA2 -0.412 nan 3.960 nan 0.000 0.289 544 G HA3 -0.412 nan 3.960 nan 0.000 0.289 544 G C -1.058 173.914 174.900 0.119 0.000 1.169 544 G CA 0.188 45.386 45.100 0.163 0.000 0.980 544 G HN -0.521 7.739 8.290 0.010 0.035 0.550 545 S N -0.547 115.230 115.700 0.127 0.000 2.625 545 S HA 0.275 nan 4.470 nan 0.000 0.271 545 S C 0.188 174.883 174.600 0.158 0.000 1.161 545 S CA -1.036 57.232 58.200 0.114 0.000 0.820 545 S CB 2.816 66.059 63.200 0.072 0.000 1.137 545 S HN -0.463 7.928 8.310 0.135 0.000 0.470 546 H N 3.996 123.129 119.070 0.105 0.000 2.423 546 H HA -0.172 nan 4.556 nan 0.000 0.297 546 H C -0.411 174.950 175.328 0.055 0.000 1.075 546 H CA 2.360 58.467 56.048 0.098 0.000 1.342 546 H CB 0.325 30.139 29.762 0.086 0.000 1.395 546 H HN 0.662 9.082 8.280 0.235 0.000 0.530 547 K N -5.173 115.175 120.400 -0.087 0.000 2.147 547 K HA -0.187 nan 4.320 nan 0.000 0.205 547 K C 0.399 176.947 176.600 -0.086 0.000 1.049 547 K CA 0.470 56.695 56.287 -0.103 0.000 0.936 547 K CB -0.108 32.370 32.500 -0.037 0.000 0.722 547 K HN -0.216 8.028 8.250 0.025 0.021 0.446 548 G N 0.836 109.615 108.800 -0.035 0.000 3.055 548 G HA2 -0.289 nan 3.960 nan 0.000 0.654 548 G HA3 -0.289 nan 3.960 nan 0.000 0.654 548 G C -1.399 173.553 174.900 0.087 0.000 1.134 548 G CA -0.600 44.512 45.100 0.019 0.000 1.049 548 G HN -0.587 7.518 8.290 -0.020 0.173 0.458 549 M N 2.570 122.271 119.600 0.169 0.000 2.283 549 M HA 0.149 nan 4.480 nan 0.000 0.314 549 M C -2.079 174.449 176.300 0.379 0.000 1.153 549 M CA -0.463 54.985 55.300 0.247 0.000 1.084 549 M CB 3.173 35.960 32.600 0.311 0.000 1.468 549 M HN 0.199 8.595 8.290 0.176 0.000 0.474 550 E N 0.687 121.054 120.200 0.279 0.000 2.224 550 E HA 0.705 nan 4.350 nan 0.000 0.265 550 E C -1.449 175.142 176.600 -0.015 0.000 0.878 550 E CA -1.142 55.377 56.400 0.199 0.000 0.759 550 E CB 2.606 32.390 29.700 0.141 0.000 1.164 550 E HN 0.144 8.596 8.360 0.153 0.000 0.414 551 F N 4.522 124.456 119.950 -0.026 0.000 2.814 551 F HA 0.701 nan 4.527 nan 0.000 0.353 551 F C -1.336 174.436 175.800 -0.047 0.000 1.177 551 F CA -1.330 56.646 58.000 -0.040 0.000 1.036 551 F CB 5.006 43.995 39.000 -0.018 0.000 1.455 551 F HN 0.820 9.275 8.300 0.258 0.000 0.520 552 E N -0.397 119.919 120.200 0.194 0.000 2.265 552 E HA 0.350 nan 4.350 nan 0.000 0.262 552 E C -2.025 174.723 176.600 0.247 0.000 0.889 552 E CA -1.340 55.133 56.400 0.121 0.000 0.789 552 E CB 3.576 33.275 29.700 -0.001 0.000 1.221 552 E HN 0.534 8.984 8.360 0.290 0.084 0.414 553 L N 8.394 129.772 121.223 0.259 0.000 2.287 553 L HA 0.372 nan 4.340 nan 0.000 0.280 553 L C -2.183 174.946 176.870 0.432 0.000 1.055 553 L CA -0.759 54.302 54.840 0.368 0.000 0.863 553 L CB 0.989 43.258 42.059 0.351 0.000 1.245 553 L HN 0.074 8.417 8.230 0.189 0.000 0.432 554 F N 8.956 129.153 119.950 0.411 0.000 2.411 554 F HA 0.512 nan 4.527 nan 0.000 0.352 554 F C -1.816 174.235 175.800 0.418 0.000 1.123 554 F CA -2.798 55.442 58.000 0.400 0.000 1.044 554 F CB 2.054 41.333 39.000 0.466 0.000 1.135 554 F HN 0.392 9.012 8.300 0.740 0.124 0.461 555 V N 8.128 128.458 119.914 0.693 0.000 2.630 555 V HA 0.642 nan 4.120 nan 0.000 0.305 555 V C -2.067 174.205 176.094 0.297 0.000 1.046 555 V CA -1.847 60.690 62.300 0.394 0.000 0.934 555 V CB 2.599 34.569 31.823 0.246 0.000 1.003 555 V HN 0.974 9.495 8.190 0.744 0.115 0.451 556 M N 3.593 123.278 119.600 0.142 0.000 2.530 556 M HA 0.739 nan 4.480 nan 0.000 0.307 556 M C -2.237 174.055 176.300 -0.012 0.000 1.161 556 M CA -1.495 53.819 55.300 0.022 0.000 0.903 556 M CB 4.437 36.971 32.600 -0.111 0.000 1.711 556 M HN 0.671 9.049 8.290 0.147 0.000 0.451 557 L N 5.206 126.425 121.223 -0.007 0.000 2.316 557 L HA 0.592 nan 4.340 nan 0.000 0.280 557 L C -1.758 174.946 176.870 -0.277 0.000 1.006 557 L CA -0.651 54.139 54.840 -0.083 0.000 0.836 557 L CB 0.884 43.023 42.059 0.133 0.000 1.221 557 L HN 0.562 8.820 8.230 0.046 0.000 0.418 558 T N 4.788 119.086 114.554 -0.427 0.000 2.937 558 T HA 0.372 nan 4.350 nan 0.000 0.283 558 T C -1.523 172.595 174.700 -0.969 0.000 1.012 558 T CA -1.655 60.104 62.100 -0.569 0.000 0.997 558 T CB 2.009 70.749 68.868 -0.213 0.000 1.136 558 T HN 0.478 8.549 8.240 -0.282 0.000 0.551 559 D N 0.393 120.351 120.400 -0.738 0.000 2.255 559 D HA 0.232 nan 4.640 nan 0.000 0.249 559 D C 0.151 176.339 176.300 -0.186 0.000 1.078 559 D CA -0.534 53.183 54.000 -0.471 0.000 0.896 559 D CB 1.791 42.561 40.800 -0.050 0.000 1.194 559 D HN 0.309 8.413 8.370 -0.444 0.000 0.429 560 H N 5.472 124.497 119.070 -0.075 0.000 2.448 560 H HA -0.093 nan 4.556 nan 0.000 0.292 560 H C 2.049 177.284 175.328 -0.155 0.000 1.035 560 H CA 3.119 59.109 56.048 -0.096 0.000 1.349 560 H CB 0.952 30.695 29.762 -0.032 0.000 1.425 560 H HN 0.346 8.648 8.280 0.182 0.087 0.539 561 D N -1.163 119.155 120.400 -0.137 0.000 2.183 561 D HA -0.180 nan 4.640 nan 0.000 0.203 561 D C 1.327 177.517 176.300 -0.184 0.000 0.969 561 D CA 3.050 56.946 54.000 -0.175 0.000 0.842 561 D CB -0.258 40.519 40.800 -0.038 0.000 0.957 561 D HN -0.040 8.609 8.370 0.052 -0.249 0.484 562 E N 0.080 120.191 120.200 -0.149 0.000 2.006 562 E HA -0.264 nan 4.350 nan 0.000 0.192 562 E C 1.125 177.582 176.600 -0.237 0.000 0.993 562 E CA 2.451 58.755 56.400 -0.160 0.000 0.808 562 E CB 0.407 30.029 29.700 -0.130 0.000 0.764 562 E HN -0.764 7.755 8.360 -0.092 -0.213 0.449 563 D N -3.175 117.043 120.400 -0.303 0.000 2.178 563 D HA -0.048 nan 4.640 nan 0.000 0.201 563 D C 0.644 176.712 176.300 -0.386 0.000 0.980 563 D CA 1.771 55.576 54.000 -0.325 0.000 0.842 563 D CB 0.589 41.217 40.800 -0.287 0.000 0.948 563 D HN -0.319 7.767 8.370 -0.293 0.108 0.472 564 T N 0.952 115.157 114.554 -0.582 0.000 2.814 564 T HA -0.001 nan 4.350 nan 0.000 0.297 564 T C 0.497 175.032 174.700 -0.275 0.000 0.956 564 T CA 0.496 62.302 62.100 -0.490 0.000 1.123 564 T CB 0.419 68.923 68.868 -0.607 0.000 0.902 564 T HN -0.418 7.417 8.240 -0.675 0.000 0.528 565 V N 4.120 123.920 119.914 -0.189 0.000 2.694 565 V HA -0.031 nan 4.120 nan 0.000 0.306 565 V C -0.762 175.259 176.094 -0.122 0.000 1.054 565 V CA -0.435 61.788 62.300 -0.128 0.000 1.161 565 V CB 0.238 32.010 31.823 -0.085 0.000 0.916 565 V HN -0.309 7.771 8.190 -0.183 0.000 0.490 566 A N 4.793 127.552 122.820 -0.100 0.000 2.303 566 A HA 0.462 nan 4.320 nan 0.000 0.317 566 A C -0.634 176.914 177.584 -0.059 0.000 1.149 566 A CA -0.206 51.781 52.037 -0.084 0.000 0.822 566 A CB 1.098 20.050 19.000 -0.079 0.000 1.131 566 A HN 0.314 8.408 8.150 -0.093 0.000 0.493 567 G N -0.047 108.723 108.800 -0.050 0.000 2.313 567 G HA2 0.013 nan 3.960 nan 0.000 0.296 567 G HA3 0.013 nan 3.960 nan 0.000 0.296 567 G C -2.281 172.600 174.900 -0.032 0.000 1.356 567 G CA -0.098 44.981 45.100 -0.035 0.000 0.833 567 G HN -0.084 8.174 8.290 -0.055 0.000 0.552 568 L N 0.509 121.718 121.223 -0.023 0.000 2.406 568 L HA 0.410 nan 4.340 nan 0.000 0.270 568 L C -0.504 176.356 176.870 -0.015 0.000 0.982 568 L CA 0.280 55.108 54.840 -0.020 0.000 0.843 568 L CB 1.391 43.440 42.059 -0.017 0.000 1.225 568 L HN 0.277 8.496 8.230 -0.019 0.000 0.412 569 S N 3.762 119.452 115.700 -0.016 0.000 3.576 569 S HA 0.162 nan 4.470 nan 0.000 0.179 569 S C -0.936 173.657 174.600 -0.013 0.000 0.977 569 S CA -0.584 57.608 58.200 -0.013 0.000 1.189 569 S CB 0.839 64.031 63.200 -0.014 0.000 1.443 569 S HN 0.548 8.846 8.310 -0.019 0.000 0.874 570 E N 0.429 120.622 120.200 -0.012 0.000 2.446 570 E HA 0.207 nan 4.350 nan 0.000 0.269 570 E C -1.664 174.931 176.600 -0.009 0.000 0.977 570 E CA -0.301 56.092 56.400 -0.011 0.000 0.854 570 E CB 1.472 31.166 29.700 -0.011 0.000 1.545 570 E HN 0.045 8.397 8.360 -0.013 0.000 0.448 571 N N -0.298 118.397 118.700 -0.007 0.000 2.250 571 N HA -0.135 nan 4.740 nan 0.000 0.256 571 N C -1.422 174.088 175.510 0.001 0.000 1.302 571 N CA 0.074 53.122 53.050 -0.003 0.000 0.894 571 N CB 0.354 38.838 38.487 -0.004 0.000 1.067 571 N HN 0.016 8.391 8.380 -0.009 0.000 0.487 572 A N -1.863 120.959 122.820 0.004 0.000 2.404 572 A HA 0.049 nan 4.320 nan 0.000 0.273 572 A C -1.383 176.206 177.584 0.008 0.000 1.144 572 A CA 0.241 52.283 52.037 0.007 0.000 0.806 572 A CB 0.460 19.465 19.000 0.008 0.000 1.080 572 A HN 0.008 8.161 8.150 0.004 0.000 0.509 573 V N 4.149 124.070 119.914 0.012 0.000 5.000 573 V HA 0.283 nan 4.120 nan 0.000 0.311 573 V C -0.620 175.491 176.094 0.027 0.000 1.608 573 V CA -0.730 61.582 62.300 0.020 0.000 0.814 573 V CB 1.961 33.792 31.823 0.012 0.000 1.241 573 V HN -0.223 7.974 8.190 0.011 0.000 0.451 574 C N 3.456 122.778 119.300 0.037 0.000 3.424 574 C HA 0.194 nan 4.460 nan 0.000 0.577 574 C C -0.072 174.939 174.990 0.035 0.000 1.086 574 C CA -0.338 58.705 59.018 0.041 0.000 1.153 574 C CB -3.220 24.553 27.740 0.055 0.000 1.411 574 C HN 0.451 8.703 8.230 0.037 0.000 0.636 575 S N 3.196 118.912 115.700 0.027 0.000 2.559 575 S HA 0.137 nan 4.470 nan 0.000 0.226 575 S C 0.555 175.173 174.600 0.029 0.000 1.000 575 S CA 1.046 59.261 58.200 0.025 0.000 0.948 575 S CB 1.134 64.340 63.200 0.010 0.000 0.870 575 S HN 0.248 8.487 8.310 0.022 0.085 0.497 576 D N 3.229 123.646 120.400 0.029 0.000 2.103 576 D HA -0.262 nan 4.640 nan 0.000 0.190 576 D C 0.423 176.746 176.300 0.038 0.000 0.997 576 D CA 2.968 56.982 54.000 0.022 0.000 0.833 576 D CB -0.222 40.586 40.800 0.013 0.000 0.961 576 D HN -0.099 8.230 8.370 0.027 0.057 0.447 577 A N -0.780 122.085 122.820 0.076 0.000 2.728 577 A HA 0.092 nan 4.320 nan 0.000 0.258 577 A C 1.268 178.936 177.584 0.139 0.000 1.454 577 A CA -0.189 51.913 52.037 0.109 0.000 1.146 577 A CB -1.291 17.827 19.000 0.197 0.000 0.985 577 A HN -0.153 8.047 8.150 0.083 0.000 0.603 578 V N -2.282 117.682 119.914 0.084 0.000 2.380 578 V HA -0.437 nan 4.120 nan 0.000 0.251 578 V C 1.318 177.523 176.094 0.185 0.000 1.063 578 V CA 2.699 65.043 62.300 0.074 0.000 1.055 578 V CB -1.231 30.559 31.823 -0.056 0.000 0.657 578 V HN 0.215 8.358 8.190 0.047 0.075 0.455 579 S N 2.893 118.716 115.700 0.205 0.000 2.363 579 S HA -0.257 nan 4.470 nan 0.000 0.218 579 S C 1.602 176.604 174.600 0.669 0.000 1.035 579 S CA 3.131 61.588 58.200 0.428 0.000 1.043 579 S CB 0.073 63.364 63.200 0.151 0.000 0.986 579 S HN 0.154 8.516 8.310 0.086 0.000 0.423 580 Y N -2.609 117.902 120.300 0.350 0.000 2.583 580 Y HA 0.026 nan 4.550 nan 0.000 0.293 580 Y C 0.080 176.286 175.900 0.511 0.000 1.157 580 Y CA -0.066 58.217 58.100 0.305 0.000 1.315 580 Y CB -0.284 38.240 38.460 0.106 0.000 1.021 580 Y HN 0.081 8.514 8.280 0.255 0.000 0.536 581 C N -4.830 114.881 119.300 0.685 0.000 3.217 581 C HA 0.349 nan 4.460 nan 0.000 0.220 581 C C -0.200 175.084 174.990 0.489 0.000 2.519 581 C CA -0.327 59.086 59.018 0.659 0.000 1.255 581 C CB 3.222 31.312 27.740 0.583 0.000 1.291 581 C HN -0.637 7.846 8.230 0.601 0.108 0.714 582 G N 0.210 109.225 108.800 0.359 0.000 2.240 582 G HA2 -0.084 nan 3.960 nan 0.000 0.199 582 G HA3 -0.084 nan 3.960 nan 0.000 0.199 582 G C -2.654 172.328 174.900 0.136 0.000 1.342 582 G CA -0.090 45.165 45.100 0.258 0.000 1.145 582 G HN 0.140 8.521 8.290 0.322 0.102 0.477 583 A N -0.333 122.542 122.820 0.093 0.000 2.609 583 A HA 0.240 nan 4.320 nan 0.000 0.291 583 A C -1.829 175.768 177.584 0.023 0.000 1.096 583 A CA -0.839 51.224 52.037 0.043 0.000 0.684 583 A CB 2.472 21.481 19.000 0.016 0.000 1.282 583 A HN 0.056 8.273 8.150 0.112 0.000 0.412 584 R N -0.289 120.213 120.500 0.003 0.000 2.407 584 R HA 0.093 nan 4.340 nan 0.000 0.303 584 R C -0.611 175.680 176.300 -0.015 0.000 0.981 584 R CA 0.073 56.163 56.100 -0.018 0.000 0.905 584 R CB 0.673 30.953 30.300 -0.034 0.000 1.099 584 R HN 0.479 8.752 8.270 0.005 0.000 0.459 585 D N 0.439 120.827 120.400 -0.020 0.000 2.713 585 D HA -0.314 nan 4.640 nan 0.000 0.231 585 D C -1.484 174.814 176.300 -0.003 0.000 1.173 585 D CA 1.509 55.501 54.000 -0.013 0.000 0.628 585 D CB -0.430 40.364 40.800 -0.010 0.000 1.033 585 D HN 0.259 8.608 8.370 -0.035 0.000 0.419 586 D N -2.075 118.328 120.400 0.004 0.000 2.732 586 D HA 0.239 nan 4.640 nan 0.000 0.292 586 D C -1.619 174.697 176.300 0.027 0.000 1.135 586 D CA -1.554 52.450 54.000 0.007 0.000 1.071 586 D CB 2.470 43.269 40.800 -0.002 0.000 1.457 586 D HN -0.449 7.912 8.370 0.009 0.013 0.547 587 R N -0.296 120.219 120.500 0.025 0.000 2.719 587 R HA 0.234 nan 4.340 nan 0.000 0.233 587 R C -0.678 175.670 176.300 0.080 0.000 1.257 587 R CA -1.573 54.562 56.100 0.058 0.000 1.109 587 R CB 1.863 32.186 30.300 0.039 0.000 1.447 587 R HN 0.204 8.476 8.270 0.004 0.000 0.537 588 Y N 2.119 122.427 120.300 0.015 0.000 2.637 588 Y HA 0.102 nan 4.550 nan 0.000 0.350 588 Y C -1.312 174.579 175.900 -0.014 0.000 1.069 588 Y CA -1.209 56.899 58.100 0.014 0.000 1.397 588 Y CB 0.425 38.889 38.460 0.006 0.000 1.163 588 Y HN 0.153 8.567 8.280 0.224 0.000 0.527 589 P HA -0.278 nan 4.420 nan 0.000 0.227 589 P C -1.626 175.570 177.300 -0.173 0.000 1.145 589 P CA 1.391 64.361 63.100 -0.218 0.000 0.769 589 P CB -0.102 31.466 31.700 -0.221 0.000 0.769 590 D N -3.530 116.784 120.400 -0.144 0.000 2.391 590 D HA 0.191 nan 4.640 nan 0.000 0.245 590 D C -0.522 175.784 176.300 0.010 0.000 1.069 590 D CA -2.273 51.691 54.000 -0.061 0.000 0.831 590 D CB 2.581 43.391 40.800 0.016 0.000 1.204 590 D HN -0.524 7.664 8.370 -0.110 0.116 0.503 591 K N 6.320 126.655 120.400 -0.108 0.000 2.059 591 K HA -0.347 nan 4.320 nan 0.000 0.212 591 K C 0.621 177.118 176.600 -0.170 0.000 1.050 591 K CA 1.932 58.133 56.287 -0.143 0.000 0.927 591 K CB 0.265 32.640 32.500 -0.208 0.000 0.714 591 K HN -0.068 8.088 8.250 -0.157 0.000 0.447 592 K N -2.349 117.895 120.400 -0.259 0.000 2.168 592 K HA -0.022 nan 4.320 nan 0.000 0.258 592 K C -0.077 176.406 176.600 -0.195 0.000 1.010 592 K CA -0.476 55.580 56.287 -0.384 0.000 0.929 592 K CB 0.574 32.523 32.500 -0.918 0.000 0.998 592 K HN -0.622 7.765 8.250 -0.233 -0.276 0.479 593 A N 2.197 124.931 122.820 -0.143 0.000 2.540 593 A HA -0.060 nan 4.320 nan 0.000 0.239 593 A C -0.140 177.376 177.584 -0.114 0.000 1.061 593 A CA 0.426 52.418 52.037 -0.074 0.000 0.758 593 A CB 0.483 19.525 19.000 0.069 0.000 0.991 593 A HN 0.441 8.494 8.150 -0.162 0.000 0.502 594 M N 3.483 122.858 119.600 -0.375 0.000 2.427 594 M HA -0.280 nan 4.480 nan 0.000 0.345 594 M C 0.870 176.880 176.300 -0.483 0.000 1.653 594 M CA 1.944 56.775 55.300 -0.783 0.000 1.138 594 M CB -0.584 31.061 32.600 -1.591 0.000 1.995 594 M HN 0.429 8.483 8.290 -0.393 0.000 0.459 595 G N 1.350 110.121 108.800 -0.049 0.000 3.134 595 G HA2 -0.192 nan 3.960 nan 0.000 0.195 595 G HA3 -0.192 nan 3.960 nan 0.000 0.195 595 G C -0.680 174.404 174.900 0.307 0.000 1.054 595 G CA -0.532 44.759 45.100 0.319 0.000 0.828 595 G HN -0.061 8.220 8.290 -0.015 0.000 0.462 596 F N 5.392 125.361 119.950 0.032 0.000 2.548 596 F HA -0.148 nan 4.527 nan 0.000 0.403 596 F C -1.786 173.848 175.800 -0.276 0.000 1.004 596 F CA -0.262 57.648 58.000 -0.150 0.000 1.177 596 F CB 0.837 39.738 39.000 -0.165 0.000 0.974 596 F HN -0.324 8.147 8.300 0.285 0.000 0.541 597 P HA -0.200 nan 4.420 nan 0.000 0.223 597 P C 0.041 176.788 177.300 -0.922 0.000 1.151 597 P CA 2.010 64.098 63.100 -1.686 0.000 0.787 597 P CB 0.144 30.784 31.700 -1.766 0.000 0.788 598 F N -2.303 117.393 119.950 -0.423 0.000 2.757 598 F HA 0.045 nan 4.527 nan 0.000 0.292 598 F C -0.061 175.720 175.800 -0.032 0.000 1.204 598 F CA -0.957 56.837 58.000 -0.344 0.000 1.417 598 F CB -1.972 36.605 39.000 -0.706 0.000 1.001 598 F HN 0.127 7.792 8.300 -0.834 0.134 0.508 599 D N 0.302 120.817 120.400 0.192 0.000 2.137 599 D HA -0.158 nan 4.640 nan 0.000 0.202 599 D C 0.593 177.009 176.300 0.193 0.000 0.970 599 D CA 2.434 56.596 54.000 0.270 0.000 0.837 599 D CB 0.247 41.244 40.800 0.328 0.000 0.981 599 D HN -0.078 8.273 8.370 0.145 0.105 0.475 600 R N -1.410 119.181 120.500 0.152 0.000 2.602 600 R HA 0.169 nan 4.340 nan 0.000 0.237 600 R C -1.317 174.984 176.300 0.000 0.000 1.219 600 R CA -1.106 55.010 56.100 0.028 0.000 1.121 600 R CB 1.694 31.914 30.300 -0.133 0.000 1.408 600 R HN -0.887 7.523 8.270 0.235 0.000 0.559 601 K N -0.232 120.147 120.400 -0.036 0.000 2.401 601 K HA -0.131 nan 4.320 nan 0.000 0.278 601 K C -0.150 176.438 176.600 -0.020 0.000 1.018 601 K CA 0.886 57.157 56.287 -0.026 0.000 0.981 601 K CB 0.133 32.615 32.500 -0.030 0.000 0.933 601 K HN 0.183 8.397 8.250 -0.060 0.000 0.477 602 I N 6.768 127.314 120.570 -0.039 0.000 2.382 602 I HA -0.002 nan 4.170 nan 0.000 0.286 602 I C -0.906 175.211 176.117 0.001 0.000 1.002 602 I CA -0.712 60.556 61.300 -0.053 0.000 1.135 602 I CB 1.051 38.910 38.000 -0.235 0.000 1.288 602 I HN 0.325 8.852 8.210 -0.037 -0.340 0.448 603 E N 6.274 126.503 120.200 0.047 0.000 2.358 603 E HA -0.113 nan 4.350 nan 0.000 0.195 603 E C -0.175 176.457 176.600 0.053 0.000 1.010 603 E CA 0.889 57.318 56.400 0.048 0.000 0.856 603 E CB 0.264 30.001 29.700 0.062 0.000 0.795 603 E HN 0.453 8.859 8.360 0.077 0.000 0.504 604 A N -2.238 120.626 122.820 0.075 0.000 2.340 604 A HA 0.197 nan 4.320 nan 0.000 0.268 604 A C 0.226 177.845 177.584 0.059 0.000 1.100 604 A CA 0.329 52.421 52.037 0.091 0.000 0.803 604 A CB 0.730 19.831 19.000 0.169 0.000 1.043 604 A HN -0.327 7.802 8.150 0.080 0.069 0.488 605 R N -1.540 118.993 120.500 0.055 0.000 2.223 605 R HA 0.105 nan 4.340 nan 0.000 0.198 605 R C 0.304 176.624 176.300 0.032 0.000 0.984 605 R CA -0.067 56.052 56.100 0.032 0.000 1.018 605 R CB 0.214 30.528 30.300 0.024 0.000 0.945 605 R HN -0.100 8.648 8.270 0.064 -0.439 0.479 606 T N -1.972 112.617 114.554 0.059 0.000 2.863 606 T HA 0.327 nan 4.350 nan 0.000 0.285 606 T C -0.561 174.218 174.700 0.132 0.000 1.009 606 T CA -1.887 60.249 62.100 0.060 0.000 0.989 606 T CB 2.742 71.629 68.868 0.033 0.000 1.004 606 T HN -0.629 7.893 8.240 0.076 -0.236 0.455 607 A N 7.812 130.716 122.820 0.140 0.000 2.084 607 A HA -0.230 nan 4.320 nan 0.000 0.221 607 A C 0.601 178.335 177.584 0.249 0.000 1.161 607 A CA 2.857 55.070 52.037 0.294 0.000 0.653 607 A CB -0.262 18.881 19.000 0.238 0.000 0.802 607 A HN 0.524 8.720 8.150 0.077 0.000 0.457 608 A N -2.315 120.570 122.820 0.108 0.000 1.929 608 A HA -0.206 nan 4.320 nan 0.000 0.216 608 A C 2.387 180.058 177.584 0.145 0.000 1.176 608 A CA 2.289 54.373 52.037 0.079 0.000 0.628 608 A CB 0.132 19.147 19.000 0.026 0.000 0.816 608 A HN -0.279 7.880 8.150 0.069 0.032 0.444 609 E N -0.171 120.131 120.200 0.170 0.000 2.153 609 E HA -0.321 nan 4.350 nan 0.000 0.194 609 E C 1.754 178.501 176.600 0.246 0.000 0.988 609 E CA 2.346 58.850 56.400 0.173 0.000 0.811 609 E CB -0.137 29.658 29.700 0.159 0.000 0.746 609 E HN -0.405 7.938 8.360 0.161 0.114 0.466 610 F N -2.651 117.393 119.950 0.157 0.000 2.699 610 F HA -0.171 nan 4.527 nan 0.000 0.298 610 F C -0.545 175.384 175.800 0.215 0.000 1.154 610 F CA 0.584 58.696 58.000 0.186 0.000 1.457 610 F CB 0.754 39.913 39.000 0.265 0.000 1.106 610 F HN -0.943 7.619 8.300 0.465 0.017 0.585 611 L N 1.129 122.504 121.223 0.253 0.000 2.530 611 L HA -0.151 nan 4.340 nan 0.000 0.273 611 L C -0.911 175.978 176.870 0.031 0.000 1.141 611 L CA 0.132 55.077 54.840 0.175 0.000 0.905 611 L CB 0.313 42.450 42.059 0.131 0.000 1.202 611 L HN -0.708 7.485 8.230 0.261 0.193 0.473 612 T N 3.581 118.118 114.554 -0.027 0.000 2.902 612 T HA 0.484 nan 4.350 nan 0.000 0.280 612 T C -0.677 174.039 174.700 0.027 0.000 0.992 612 T CA -2.936 59.143 62.100 -0.034 0.000 1.015 612 T CB -0.090 68.721 68.868 -0.095 0.000 1.044 612 T HN -0.418 7.784 8.240 -0.063 0.000 0.520 613 P HA -0.047 nan 4.420 nan 0.000 0.236 613 P C -0.989 176.349 177.300 0.064 0.000 1.172 613 P CA 1.546 64.670 63.100 0.040 0.000 0.759 613 P CB -0.402 31.310 31.700 0.020 0.000 0.843 614 N N -6.255 112.494 118.700 0.081 0.000 2.328 614 N HA 0.097 nan 4.740 nan 0.000 0.247 614 N C -1.801 173.778 175.510 0.115 0.000 1.165 614 N CA -1.020 52.106 53.050 0.127 0.000 0.873 614 N CB 0.131 38.746 38.487 0.212 0.000 1.125 614 N HN 0.194 8.534 8.380 0.057 0.074 0.513 615 M N -0.773 118.912 119.600 0.142 0.000 2.619 615 M HA 0.529 nan 4.480 nan 0.000 0.297 615 M C -1.462 175.020 176.300 0.303 0.000 1.229 615 M CA -0.354 55.108 55.300 0.270 0.000 0.860 615 M CB 5.334 38.145 32.600 0.351 0.000 1.741 615 M HN -0.001 8.212 8.290 0.123 0.150 0.462 616 G N 0.214 109.254 108.800 0.399 0.000 2.635 616 G HA2 0.223 nan 3.960 nan 0.000 0.295 616 G HA3 0.223 nan 3.960 nan 0.000 0.295 616 G C -3.002 171.937 174.900 0.064 0.000 1.359 616 G CA 0.403 45.599 45.100 0.160 0.000 1.232 616 G HN 0.233 8.931 8.290 0.679 0.000 0.597 617 L N 3.384 124.469 121.223 -0.231 0.000 2.292 617 L HA 0.577 nan 4.340 nan 0.000 0.284 617 L C -0.633 176.216 176.870 -0.037 0.000 1.065 617 L CA -0.406 54.285 54.840 -0.249 0.000 0.806 617 L CB 1.190 42.998 42.059 -0.417 0.000 1.175 617 L HN 0.264 8.349 8.230 -0.241 0.000 0.431 618 T N 6.318 120.910 114.554 0.063 0.000 2.892 618 T HA 0.284 nan 4.350 nan 0.000 0.311 618 T C -1.305 173.443 174.700 0.081 0.000 1.033 618 T CA -0.661 61.489 62.100 0.083 0.000 0.991 618 T CB 0.904 69.861 68.868 0.148 0.000 0.981 618 T HN 0.448 8.641 8.240 0.115 0.116 0.457 619 D N 6.187 126.609 120.400 0.037 0.000 2.371 619 D HA 0.048 nan 4.640 nan 0.000 0.256 619 D C -0.731 175.602 176.300 0.055 0.000 1.193 619 D CA -0.168 53.850 54.000 0.031 0.000 0.881 619 D CB 0.277 41.065 40.800 -0.020 0.000 1.143 619 D HN 0.210 8.591 8.370 0.019 0.000 0.473 620 I N -3.734 116.890 120.570 0.090 0.000 2.785 620 I HA 0.479 nan 4.170 nan 0.000 0.302 620 I C -1.455 174.731 176.117 0.115 0.000 1.069 620 I CA -2.882 58.465 61.300 0.077 0.000 1.045 620 I CB 3.390 41.420 38.000 0.049 0.000 1.236 620 I HN -0.436 7.844 8.210 0.117 0.000 0.429 621 K N 1.176 121.613 120.400 0.063 0.000 2.118 621 K HA 0.748 nan 4.320 nan 0.000 0.254 621 K C -1.005 175.586 176.600 -0.015 0.000 0.961 621 K CA -2.339 53.997 56.287 0.081 0.000 0.876 621 K CB 1.823 34.351 32.500 0.047 0.000 1.077 621 K HN 0.416 8.569 8.250 0.025 0.112 0.440 622 I N 1.114 121.682 120.570 -0.003 0.000 2.498 622 I HA 0.552 nan 4.170 nan 0.000 0.290 622 I C -2.068 174.047 176.117 -0.004 0.000 1.032 622 I CA -0.974 60.265 61.300 -0.102 0.000 1.073 622 I CB 2.960 40.785 38.000 -0.293 0.000 1.251 622 I HN 0.720 9.005 8.210 0.124 0.000 0.426 623 K N 3.418 123.815 120.400 -0.005 0.000 2.471 623 K HA 0.554 nan 4.320 nan 0.000 0.252 623 K C -1.594 175.067 176.600 0.102 0.000 0.938 623 K CA -2.369 53.938 56.287 0.034 0.000 0.796 623 K CB 3.038 35.520 32.500 -0.031 0.000 1.161 623 K HN 0.518 8.749 8.250 -0.032 0.000 0.425 624 F N 6.655 126.622 119.950 0.027 0.000 2.502 624 F HA -0.047 nan 4.527 nan 0.000 0.371 624 F C -1.469 174.426 175.800 0.158 0.000 1.083 624 F CA -1.161 56.870 58.000 0.053 0.000 1.174 624 F CB 0.551 39.551 39.000 0.001 0.000 1.096 624 F HN 0.305 8.636 8.300 0.269 0.130 0.545 625 H N 10.815 129.519 119.070 -0.611 0.000 3.215 625 H HA -0.054 nan 4.556 nan 0.000 0.253 625 H C -0.301 174.380 175.328 -1.078 0.000 1.102 625 H CA -0.004 55.701 56.048 -0.573 0.000 1.482 625 H CB -0.186 29.350 29.762 -0.376 0.000 1.542 625 H HN 0.167 8.135 8.280 -0.346 0.104 0.498 626 G N 0.000 108.209 108.800 -0.984 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 44.667 45.100 -0.722 0.000 0.502 626 G HN 0.000 7.994 8.290 -0.494 0.000 0.925