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 3bcd_1_A DATA FIRST_RESID 15 DATA SEQUENCE SLFLIESEPS TGASVSKNLT EIILIFSNDI NKVSQLALTD LITDSDIQGI DATA SEQUENCE DYNIEGNKVI INNFSLEPTC NYRLSYEVID IYDNHLQGYI EFLVNQSNYP DATA SEQUENCE QIPDQEVNHT ILQAFYWEMN TGEYATEHPE EANLWNLLAE RAPELAEAGF DATA SEQUENCE TAVWLPPANK GMAGIHDVGY GTYDLWDLGE FDQKGTVRTK YGTKGELENA DATA SEQUENCE IDALHNNDIK VYFDAVLNHR MGADYAETVL LDENSRDKPG QYIKAWTGFN DATA SEQUENCE FPGRNGEYSN FTWNGQCFDG TDWDDYSKES GKYLFDEKSW DWTYNWDEDY DATA SEQUENCE LMGADVDYEN EAVQNDVIDW GQWIINNIDF DGFRLDAVKH IDYRFIDKWM DATA SEQUENCE SAVQNSSNRD VFFVGEAWVE DVDDLKGFLD TVGNPDLRVF DFPLRSFFVD DATA SEQUENCE MLNGAYMADL RNAGLVNSPG YENRAVTFVD NHDTDRDEGS YTVSIYSRKY DATA SEQUENCE QAYAYILTRA EGVPTVYWKD YYIWEMKEGL DKLLTARRYY AYGPGYEVDN DATA SEQUENCE NDADIYSYVR SGFPDVAGDG LVLMISDGTS GNVAGKWINS RQPDTEFYDL DATA SEQUENCE TGHIKEHVTT DSEGYGNFKV IKSEDKGWSI WVPVE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.768 174.600 0.280 0.000 1.055 15 S CA 0.000 58.350 58.200 0.250 0.000 1.107 15 S CB 0.000 63.369 63.200 0.282 0.000 0.593 16 L N 4.105 125.471 121.223 0.239 0.000 2.292 16 L HA 0.912 5.261 4.340 0.014 0.000 0.284 16 L C -1.025 176.032 176.870 0.311 0.000 1.065 16 L CA 0.177 55.096 54.840 0.132 0.000 0.806 16 L CB -0.075 42.034 42.059 0.084 0.000 1.175 16 L HN 0.651 nan 8.230 nan 0.000 0.431 17 F N 2.993 123.060 119.950 0.195 0.000 2.744 17 F HA 0.433 4.970 4.527 0.016 0.000 0.311 17 F C -1.500 174.479 175.800 0.300 0.000 1.144 17 F CA -1.589 56.550 58.000 0.232 0.000 0.938 17 F CB 0.618 39.706 39.000 0.147 0.000 1.292 17 F HN 0.384 nan 8.300 nan 0.000 0.444 18 L N 3.390 124.886 121.223 0.455 0.000 2.418 18 L HA 0.374 4.722 4.340 0.014 0.000 0.274 18 L C 0.186 177.124 176.870 0.114 0.000 1.135 18 L CA 0.213 55.101 54.840 0.080 0.000 0.870 18 L CB 0.299 42.378 42.059 0.034 0.000 1.154 18 L HN 0.817 nan 8.230 nan 0.000 0.462 19 I N 3.310 123.838 120.570 -0.070 0.000 2.277 19 I HA -0.026 4.152 4.170 0.014 0.000 0.243 19 I C 0.567 176.685 176.117 0.002 0.000 1.094 19 I CA 0.908 62.235 61.300 0.045 0.000 1.393 19 I CB 0.055 38.039 38.000 -0.026 0.000 1.078 19 I HN 0.854 nan 8.210 nan 0.000 0.417 20 E N -0.745 119.391 120.200 -0.107 0.000 2.432 20 E HA 0.472 4.830 4.350 0.014 0.000 0.279 20 E C -1.061 175.444 176.600 -0.159 0.000 1.099 20 E CA -0.943 55.403 56.400 -0.091 0.000 0.859 20 E CB 1.378 31.044 29.700 -0.057 0.000 1.402 20 E HN 0.011 nan 8.360 nan 0.000 0.451 21 S N -0.252 115.377 115.700 -0.117 0.000 2.607 21 S HA 0.670 5.148 4.470 0.014 0.000 0.273 21 S C -1.372 173.173 174.600 -0.093 0.000 1.148 21 S CA -0.897 57.225 58.200 -0.130 0.000 0.833 21 S CB 2.019 65.146 63.200 -0.122 0.000 1.130 21 S HN 0.647 nan 8.310 nan 0.000 0.470 22 E N 1.732 121.874 120.200 -0.096 0.000 2.255 22 E HA 0.576 4.934 4.350 0.014 0.000 0.256 22 E C -2.833 173.697 176.600 -0.117 0.000 0.887 22 E CA -2.030 54.316 56.400 -0.090 0.000 0.782 22 E CB 1.869 31.524 29.700 -0.075 0.000 1.214 22 E HN 0.508 nan 8.360 nan 0.000 0.417 23 P HA 0.106 nan 4.420 nan 0.000 0.272 23 P C -0.616 176.633 177.300 -0.085 0.000 1.240 23 P CA -0.427 62.588 63.100 -0.143 0.000 0.791 23 P CB 0.832 32.391 31.700 -0.235 0.000 0.978 24 S N -0.137 115.534 115.700 -0.049 0.000 2.576 24 S HA 0.113 4.591 4.470 0.014 0.000 0.276 24 S C 0.675 175.279 174.600 0.006 0.000 1.339 24 S CA -0.250 57.936 58.200 -0.024 0.000 1.039 24 S CB -0.182 63.011 63.200 -0.012 0.000 0.902 24 S HN 0.587 nan 8.310 nan 0.000 0.516 25 T N 1.500 116.056 114.554 0.004 0.000 2.933 25 T HA 0.338 4.696 4.350 0.014 0.000 0.306 25 T C 1.516 176.235 174.700 0.031 0.000 1.045 25 T CA 1.400 63.508 62.100 0.015 0.000 1.143 25 T CB -0.578 68.252 68.868 -0.064 0.000 1.003 25 T HN 1.281 nan 8.240 nan 0.000 0.540 26 G N 2.486 111.323 108.800 0.062 0.000 2.179 26 G HA2 -0.112 3.856 3.960 0.014 0.000 0.260 26 G HA3 -0.112 3.856 3.960 0.014 0.000 0.260 26 G C 0.332 175.254 174.900 0.036 0.000 0.977 26 G CA 0.219 45.342 45.100 0.038 0.000 0.641 26 G HN 1.307 nan 8.290 nan 0.000 0.533 27 A N -0.098 122.767 122.820 0.076 0.000 2.332 27 A HA 0.733 5.061 4.320 0.014 0.000 0.258 27 A C 0.673 178.319 177.584 0.103 0.000 1.087 27 A CA 0.847 52.920 52.037 0.059 0.000 0.802 27 A CB 0.638 19.654 19.000 0.027 0.000 1.042 27 A HN 0.995 nan 8.150 nan 0.000 0.489 28 S N -0.156 115.590 115.700 0.077 0.000 2.442 28 S HA 0.542 5.021 4.470 0.014 0.000 0.297 28 S C -0.079 174.579 174.600 0.097 0.000 1.131 28 S CA -0.393 57.876 58.200 0.115 0.000 1.092 28 S CB 0.959 64.218 63.200 0.099 0.000 0.998 28 S HN 1.268 nan 8.310 nan 0.000 0.478 29 V N 0.948 120.935 119.914 0.123 0.000 3.046 29 V HA 0.787 4.915 4.120 0.014 0.000 0.316 29 V C 0.267 176.416 176.094 0.090 0.000 1.104 29 V CA -1.024 61.312 62.300 0.061 0.000 1.006 29 V CB 1.683 33.483 31.823 -0.039 0.000 1.058 29 V HN 0.688 nan 8.190 nan 0.000 0.440 30 S N 0.971 116.706 115.700 0.059 0.000 2.576 30 S HA 0.189 4.667 4.470 0.014 0.000 0.276 30 S C 1.210 175.852 174.600 0.069 0.000 1.339 30 S CA 0.300 58.536 58.200 0.060 0.000 1.039 30 S CB 0.757 63.982 63.200 0.040 0.000 0.902 30 S HN 1.103 nan 8.310 nan 0.000 0.516 31 K N 3.437 123.877 120.400 0.066 0.000 2.280 31 K HA -0.113 4.215 4.320 0.014 0.000 0.202 31 K C 1.067 177.704 176.600 0.062 0.000 1.047 31 K CA 2.042 58.375 56.287 0.076 0.000 0.942 31 K CB -0.483 32.048 32.500 0.052 0.000 0.739 31 K HN 0.673 nan 8.250 nan 0.000 0.457 32 N N 0.739 119.461 118.700 0.038 0.000 2.550 32 N HA -0.004 4.744 4.740 0.014 0.000 0.186 32 N C -0.149 175.368 175.510 0.013 0.000 1.110 32 N CA -0.293 52.769 53.050 0.020 0.000 0.912 32 N CB -0.039 38.453 38.487 0.009 0.000 0.968 32 N HN 0.112 nan 8.380 nan 0.000 0.448 33 L N 0.868 122.109 121.223 0.030 0.000 2.601 33 L HA -0.106 4.242 4.340 0.014 0.000 0.277 33 L C 1.409 178.293 176.870 0.023 0.000 1.219 33 L CA 0.900 55.753 54.840 0.022 0.000 0.915 33 L CB 0.825 42.892 42.059 0.013 0.000 1.160 33 L HN -0.088 nan 8.230 nan 0.000 0.494 34 T N 3.220 117.735 114.554 -0.065 0.000 3.018 34 T HA 0.167 4.525 4.350 0.014 0.000 0.246 34 T C 0.215 174.711 174.700 -0.339 0.000 1.026 34 T CA 0.621 62.588 62.100 -0.221 0.000 1.081 34 T CB 0.047 68.814 68.868 -0.169 0.000 0.970 34 T HN 0.810 nan 8.240 nan 0.000 0.475 35 E N 0.055 120.186 120.200 -0.115 0.000 2.408 35 E HA 0.552 4.910 4.350 0.014 0.000 0.275 35 E C -1.531 175.110 176.600 0.068 0.000 0.935 35 E CA -1.042 55.339 56.400 -0.031 0.000 0.775 35 E CB 1.712 31.376 29.700 -0.061 0.000 1.277 35 E HN 0.284 nan 8.360 nan 0.000 0.455 36 I N 1.595 122.236 120.570 0.118 0.000 2.530 36 I HA 0.446 4.624 4.170 0.014 0.000 0.297 36 I C -0.526 175.599 176.117 0.014 0.000 1.011 36 I CA -1.045 60.279 61.300 0.039 0.000 1.107 36 I CB 1.756 39.800 38.000 0.073 0.000 1.285 36 I HN 0.438 nan 8.210 nan 0.000 0.436 37 I N 6.418 126.965 120.570 -0.039 0.000 2.466 37 I HA 0.407 4.585 4.170 0.014 0.000 0.289 37 I C -0.836 175.207 176.117 -0.123 0.000 1.026 37 I CA -0.552 60.712 61.300 -0.059 0.000 1.078 37 I CB 1.794 39.756 38.000 -0.062 0.000 1.249 37 I HN 0.256 nan 8.210 nan 0.000 0.429 38 L N 6.788 127.906 121.223 -0.174 0.000 2.307 38 L HA 0.596 4.944 4.340 0.014 0.000 0.284 38 L C -0.505 176.082 176.870 -0.471 0.000 1.023 38 L CA -0.612 53.989 54.840 -0.399 0.000 0.810 38 L CB 1.681 43.425 42.059 -0.524 0.000 1.231 38 L HN 0.445 nan 8.230 nan 0.000 0.423 39 I N 3.069 123.304 120.570 -0.559 0.000 2.382 39 I HA 0.369 4.547 4.170 0.014 0.000 0.286 39 I C -0.540 175.248 176.117 -0.548 0.000 1.002 39 I CA -0.239 60.821 61.300 -0.399 0.000 1.135 39 I CB 1.118 38.986 38.000 -0.220 0.000 1.288 39 I HN 0.398 nan 8.210 nan 0.000 0.448 40 F N 2.574 122.426 119.950 -0.163 0.000 2.461 40 F HA 0.254 4.789 4.527 0.013 0.000 0.337 40 F C 1.785 177.412 175.800 -0.287 0.000 1.079 40 F CA -0.462 57.405 58.000 -0.222 0.000 1.032 40 F CB 1.045 39.916 39.000 -0.215 0.000 1.327 40 F HN 0.480 nan 8.300 nan 0.000 0.491 41 S N -0.947 114.589 115.700 -0.273 0.000 2.461 41 S HA 0.100 4.578 4.470 0.014 0.000 0.228 41 S C 0.257 174.754 174.600 -0.172 0.000 1.005 41 S CA 0.313 58.269 58.200 -0.407 0.000 0.942 41 S CB -0.422 62.188 63.200 -0.983 0.000 0.776 41 S HN 0.541 nan 8.310 nan 0.000 0.514 42 N N 1.333 119.961 118.700 -0.121 0.000 2.381 42 N HA 0.413 5.161 4.740 0.014 0.000 0.294 42 N C -1.554 173.876 175.510 -0.132 0.000 1.216 42 N CA -0.668 52.315 53.050 -0.112 0.000 0.803 42 N CB 0.784 39.185 38.487 -0.143 0.000 1.372 42 N HN 0.075 nan 8.380 nan 0.000 0.500 43 D N 0.542 120.839 120.400 -0.171 0.000 2.399 43 D HA 0.182 4.830 4.640 0.014 0.000 0.241 43 D C 0.294 176.484 176.300 -0.184 0.000 1.133 43 D CA 0.211 54.127 54.000 -0.140 0.000 0.890 43 D CB 1.146 41.868 40.800 -0.130 0.000 1.201 43 D HN 0.236 nan 8.370 nan 0.000 0.432 44 I N 2.162 122.649 120.570 -0.139 0.000 2.488 44 I HA 0.068 4.246 4.170 0.014 0.000 0.299 44 I C 1.216 177.251 176.117 -0.136 0.000 0.984 44 I CA -0.275 60.918 61.300 -0.178 0.000 1.250 44 I CB 1.525 39.409 38.000 -0.194 0.000 1.389 44 I HN 0.352 nan 8.210 nan 0.000 0.488 45 N N 4.017 122.629 118.700 -0.147 0.000 2.684 45 N HA 0.112 4.860 4.740 0.014 0.000 0.220 45 N C -0.023 175.441 175.510 -0.077 0.000 1.037 45 N CA 1.023 54.011 53.050 -0.103 0.000 0.975 45 N CB 0.788 39.208 38.487 -0.112 0.000 1.426 45 N HN 0.486 nan 8.380 nan 0.000 0.450 46 K N -0.114 120.219 120.400 -0.111 0.000 2.385 46 K HA 0.501 4.829 4.320 0.014 0.000 0.248 46 K C -1.463 175.046 176.600 -0.152 0.000 0.955 46 K CA -0.880 55.355 56.287 -0.088 0.000 0.816 46 K CB 3.113 35.561 32.500 -0.086 0.000 1.250 46 K HN -0.206 nan 8.250 nan 0.000 0.434 47 V N 2.882 122.706 119.914 -0.150 0.000 2.293 47 V HA 0.024 4.153 4.120 0.014 0.000 0.275 47 V C 0.967 176.956 176.094 -0.175 0.000 1.021 47 V CA -0.065 62.079 62.300 -0.260 0.000 0.815 47 V CB 0.863 32.331 31.823 -0.593 0.000 1.025 47 V HN 0.985 nan 8.190 nan 0.000 0.448 48 S N 3.437 119.059 115.700 -0.131 0.000 2.377 48 S HA 0.029 4.507 4.470 0.014 0.000 0.223 48 S C 0.679 175.254 174.600 -0.042 0.000 1.030 48 S CA 0.282 58.439 58.200 -0.072 0.000 0.970 48 S CB 0.139 63.293 63.200 -0.077 0.000 0.830 48 S HN 0.679 nan 8.310 nan 0.000 0.473 49 Q N -0.169 119.605 119.800 -0.043 0.000 2.394 49 Q HA 0.753 5.101 4.340 0.014 0.000 0.273 49 Q C -2.021 173.971 176.000 -0.013 0.000 1.089 49 Q CA -0.926 54.868 55.803 -0.014 0.000 0.812 49 Q CB 1.877 30.617 28.738 0.004 0.000 1.353 49 Q HN 0.351 nan 8.270 nan 0.000 0.438 50 L N 2.085 123.313 121.223 0.007 0.000 2.611 50 L HA 0.889 5.237 4.340 0.014 0.000 0.260 50 L C -2.197 174.710 176.870 0.062 0.000 0.924 50 L CA 0.019 54.878 54.840 0.032 0.000 0.901 50 L CB 2.195 44.225 42.059 -0.048 0.000 1.369 50 L HN 0.718 nan 8.230 nan 0.000 0.415 51 A N 3.921 126.787 122.820 0.077 0.000 2.594 51 A HA 0.829 5.157 4.320 0.014 0.000 0.295 51 A C -2.345 175.280 177.584 0.068 0.000 1.071 51 A CA -0.483 51.594 52.037 0.067 0.000 0.685 51 A CB 1.795 20.822 19.000 0.045 0.000 1.285 51 A HN 0.855 nan 8.150 nan 0.000 0.405 52 L N 1.461 122.714 121.223 0.049 0.000 2.342 52 L HA 0.715 5.063 4.340 0.014 0.000 0.276 52 L C -0.628 176.267 176.870 0.041 0.000 0.997 52 L CA 0.344 55.194 54.840 0.017 0.000 0.838 52 L CB 1.737 43.749 42.059 -0.078 0.000 1.224 52 L HN 0.660 nan 8.230 nan 0.000 0.416 53 T N 2.505 117.092 114.554 0.056 0.000 2.797 53 T HA 0.295 4.653 4.350 0.014 0.000 0.279 53 T C -0.898 173.834 174.700 0.052 0.000 0.991 53 T CA -0.404 61.721 62.100 0.041 0.000 0.979 53 T CB 1.264 70.128 68.868 -0.007 0.000 0.943 53 T HN 0.537 nan 8.240 nan 0.000 0.444 54 D N 2.880 123.281 120.400 0.002 0.000 2.336 54 D HA 0.132 4.780 4.640 0.014 0.000 0.249 54 D C 0.899 177.063 176.300 -0.227 0.000 1.213 54 D CA -0.472 53.383 54.000 -0.241 0.000 0.870 54 D CB 0.515 41.214 40.800 -0.167 0.000 1.076 54 D HN 0.418 nan 8.370 nan 0.000 0.483 55 L N 3.780 124.831 121.223 -0.287 0.000 2.395 55 L HA -0.073 4.275 4.340 0.014 0.000 0.218 55 L C 1.669 178.417 176.870 -0.203 0.000 1.130 55 L CA 0.160 54.879 54.840 -0.202 0.000 0.826 55 L CB -0.125 41.825 42.059 -0.182 0.000 0.941 55 L HN 0.547 nan 8.230 nan 0.000 0.451 56 I N -0.418 119.985 120.570 -0.279 0.000 2.296 56 I HA -0.125 4.053 4.170 0.014 0.000 0.242 56 I C 2.493 178.482 176.117 -0.212 0.000 1.087 56 I CA 1.761 62.873 61.300 -0.314 0.000 1.393 56 I CB -1.547 36.136 38.000 -0.529 0.000 1.093 56 I HN 0.278 nan 8.210 nan 0.000 0.421 57 T N -2.111 112.335 114.554 -0.180 0.000 3.129 57 T HA 0.002 4.360 4.350 0.014 0.000 0.251 57 T C 0.747 175.396 174.700 -0.085 0.000 1.117 57 T CA 0.253 62.286 62.100 -0.112 0.000 1.034 57 T CB -0.444 68.371 68.868 -0.087 0.000 0.968 57 T HN 0.240 nan 8.240 nan 0.000 0.526 58 D N 0.981 121.323 120.400 -0.096 0.000 2.686 58 D HA -0.159 4.489 4.640 0.014 0.000 0.235 58 D C -0.932 175.340 176.300 -0.047 0.000 1.160 58 D CA 0.413 54.369 54.000 -0.072 0.000 0.645 58 D CB -1.465 39.298 40.800 -0.062 0.000 1.039 58 D HN 0.527 nan 8.370 nan 0.000 0.423 59 S N 0.776 116.452 115.700 -0.040 0.000 2.454 59 S HA 0.390 4.868 4.470 0.014 0.000 0.306 59 S C -0.504 174.099 174.600 0.005 0.000 1.100 59 S CA -1.040 57.152 58.200 -0.013 0.000 1.087 59 S CB 1.612 64.810 63.200 -0.004 0.000 1.019 59 S HN 0.133 nan 8.310 nan 0.000 0.480 60 D N 2.088 122.495 120.400 0.013 0.000 2.348 60 D HA 0.250 4.898 4.640 0.014 0.000 0.253 60 D C 0.259 176.586 176.300 0.044 0.000 1.161 60 D CA -0.104 53.913 54.000 0.029 0.000 0.876 60 D CB 0.559 41.374 40.800 0.026 0.000 1.160 60 D HN 0.397 nan 8.370 nan 0.000 0.459 61 I N 3.036 123.641 120.570 0.059 0.000 2.618 61 I HA -0.099 4.079 4.170 0.014 0.000 0.284 61 I C 0.928 177.088 176.117 0.071 0.000 1.146 61 I CA -0.074 61.267 61.300 0.070 0.000 1.425 61 I CB 0.364 38.408 38.000 0.073 0.000 1.383 61 I HN 0.033 nan 8.210 nan 0.000 0.562 62 Q N 4.484 124.324 119.800 0.067 0.000 2.259 62 Q HA 0.327 4.675 4.340 0.014 0.000 0.246 62 Q C 0.968 177.014 176.000 0.076 0.000 0.920 62 Q CA 0.242 56.083 55.803 0.064 0.000 0.895 62 Q CB 1.380 30.147 28.738 0.048 0.000 1.220 62 Q HN 0.985 nan 8.270 nan 0.000 0.439 63 G N 0.929 109.773 108.800 0.074 0.000 2.176 63 G HA2 -0.256 3.712 3.960 0.014 0.000 0.232 63 G HA3 -0.256 3.712 3.960 0.014 0.000 0.232 63 G C 0.325 175.277 174.900 0.087 0.000 0.986 63 G CA 0.211 45.351 45.100 0.066 0.000 0.643 63 G HN 0.690 nan 8.290 nan 0.000 0.522 64 I N -1.576 119.072 120.570 0.130 0.000 2.993 64 I HA 0.647 4.826 4.170 0.014 0.000 0.286 64 I C -0.103 176.106 176.117 0.155 0.000 1.215 64 I CA -0.190 61.220 61.300 0.183 0.000 1.393 64 I CB 0.662 38.809 38.000 0.245 0.000 1.371 64 I HN -0.016 nan 8.210 nan 0.000 0.602 65 D N 1.902 122.396 120.400 0.156 0.000 2.523 65 D HA 0.519 5.167 4.640 0.014 0.000 0.236 65 D C -1.490 174.928 176.300 0.196 0.000 1.094 65 D CA -0.104 53.954 54.000 0.097 0.000 0.942 65 D CB 2.444 43.244 40.800 -0.001 0.000 1.447 65 D HN 0.677 nan 8.370 nan 0.000 0.479 66 Y N -0.586 119.734 120.300 0.033 0.000 2.655 66 Y HA 0.668 5.227 4.550 0.015 0.000 0.336 66 Y C -1.658 174.248 175.900 0.010 0.000 1.154 66 Y CA -1.079 57.040 58.100 0.030 0.000 1.055 66 Y CB 1.398 39.885 38.460 0.045 0.000 1.295 66 Y HN 0.225 nan 8.280 nan 0.000 0.465 67 N N 0.643 119.479 118.700 0.227 0.000 2.455 67 N HA 0.462 5.211 4.740 0.014 0.000 0.285 67 N C -2.264 173.334 175.510 0.145 0.000 1.080 67 N CA -0.409 52.694 53.050 0.089 0.000 0.932 67 N CB 1.771 40.264 38.487 0.010 0.000 1.610 67 N HN 0.805 nan 8.380 nan 0.000 0.493 68 I N 2.112 122.755 120.570 0.121 0.000 2.331 68 I HA 0.298 4.476 4.170 0.014 0.000 0.292 68 I C -0.125 176.013 176.117 0.036 0.000 0.998 68 I CA -0.277 61.075 61.300 0.087 0.000 1.267 68 I CB 1.340 39.388 38.000 0.079 0.000 1.386 68 I HN 0.481 nan 8.210 nan 0.000 0.476 69 E N 5.197 125.412 120.200 0.025 0.000 3.108 69 E HA 0.385 4.743 4.350 0.014 0.000 0.228 69 E C 0.508 177.108 176.600 -0.001 0.000 1.176 69 E CA -0.235 56.169 56.400 0.006 0.000 0.881 69 E CB 1.270 30.971 29.700 0.002 0.000 1.354 69 E HN 0.929 nan 8.360 nan 0.000 0.400 70 G N 3.515 112.309 108.800 -0.010 0.000 2.720 70 G HA2 -0.417 3.551 3.960 0.014 0.000 0.293 70 G HA3 -0.417 3.551 3.960 0.014 0.000 0.293 70 G C 0.770 175.658 174.900 -0.020 0.000 1.256 70 G CA 0.511 45.597 45.100 -0.023 0.000 0.974 70 G HN 0.555 nan 8.290 nan 0.000 0.551 71 N N 1.705 120.401 118.700 -0.007 0.000 2.299 71 N HA 0.113 4.861 4.740 0.014 0.000 0.187 71 N C 0.485 176.044 175.510 0.083 0.000 1.099 71 N CA 0.750 53.814 53.050 0.023 0.000 0.867 71 N CB 0.251 38.737 38.487 -0.002 0.000 0.974 71 N HN 0.718 nan 8.380 nan 0.000 0.477 72 K N 0.550 120.974 120.400 0.040 0.000 2.110 72 K HA 0.523 4.851 4.320 0.014 0.000 0.263 72 K C -0.870 175.768 176.600 0.062 0.000 0.975 72 K CA -0.770 55.532 56.287 0.026 0.000 0.895 72 K CB 2.756 35.246 32.500 -0.016 0.000 1.060 72 K HN -0.202 nan 8.250 nan 0.000 0.448 73 V N 3.661 123.612 119.914 0.062 0.000 2.531 73 V HA 0.356 4.484 4.120 0.014 0.000 0.301 73 V C -0.787 175.340 176.094 0.055 0.000 1.034 73 V CA -0.918 61.432 62.300 0.083 0.000 0.865 73 V CB 1.391 33.281 31.823 0.113 0.000 0.995 73 V HN 0.564 nan 8.190 nan 0.000 0.424 74 I N 6.076 126.695 120.570 0.082 0.000 2.362 74 I HA 0.524 4.702 4.170 0.014 0.000 0.289 74 I C -0.443 175.747 176.117 0.121 0.000 0.994 74 I CA -0.068 61.272 61.300 0.067 0.000 1.158 74 I CB 1.480 39.500 38.000 0.033 0.000 1.315 74 I HN 0.381 nan 8.210 nan 0.000 0.451 75 I N 7.646 128.301 120.570 0.141 0.000 2.377 75 I HA 0.521 4.700 4.170 0.014 0.000 0.293 75 I C 0.007 176.245 176.117 0.202 0.000 0.987 75 I CA -0.077 61.353 61.300 0.217 0.000 1.185 75 I CB 1.060 39.211 38.000 0.252 0.000 1.341 75 I HN 0.770 nan 8.210 nan 0.000 0.455 76 N N 3.302 122.065 118.700 0.106 0.000 3.522 76 N HA 0.411 5.159 4.740 0.014 0.000 0.328 76 N C -0.387 174.989 175.510 -0.223 0.000 1.623 76 N CA -0.959 51.957 53.050 -0.223 0.000 0.812 76 N CB 0.329 38.665 38.487 -0.251 0.000 2.008 76 N HN 0.391 nan 8.380 nan 0.000 0.601 77 N N -2.033 116.427 118.700 -0.400 0.000 2.862 77 N HA -0.131 4.617 4.740 0.014 0.000 0.246 77 N C -1.739 173.711 175.510 -0.099 0.000 1.111 77 N CA 0.843 53.778 53.050 -0.192 0.000 0.688 77 N CB -1.765 36.691 38.487 -0.052 0.000 1.018 77 N HN 0.566 nan 8.380 nan 0.000 0.556 78 F N -2.488 117.456 119.950 -0.009 0.000 2.629 78 F HA 0.781 5.317 4.527 0.015 0.000 0.316 78 F C 0.216 176.000 175.800 -0.027 0.000 1.081 78 F CA -1.416 56.573 58.000 -0.018 0.000 0.954 78 F CB 1.481 40.461 39.000 -0.033 0.000 1.337 78 F HN -0.086 nan 8.300 nan 0.000 0.474 79 S N 2.453 118.314 115.700 0.268 0.000 2.669 79 S HA 0.618 5.096 4.470 0.014 0.000 0.315 79 S C -0.930 173.766 174.600 0.159 0.000 1.106 79 S CA -0.583 57.719 58.200 0.169 0.000 1.107 79 S CB -0.088 63.168 63.200 0.093 0.000 0.990 79 S HN 0.687 nan 8.310 nan 0.000 0.471 80 L N 3.913 125.231 121.223 0.157 0.000 2.417 80 L HA 0.439 4.787 4.340 0.014 0.000 0.268 80 L C 0.526 177.488 176.870 0.154 0.000 1.158 80 L CA -0.330 54.562 54.840 0.086 0.000 0.819 80 L CB 0.717 42.829 42.059 0.088 0.000 1.112 80 L HN 0.595 nan 8.230 nan 0.000 0.458 81 E N 3.348 123.694 120.200 0.243 0.000 2.197 81 E HA 0.289 4.648 4.350 0.014 0.000 0.281 81 E C -2.302 174.369 176.600 0.119 0.000 0.995 81 E CA -1.876 54.614 56.400 0.150 0.000 0.808 81 E CB 1.246 31.018 29.700 0.119 0.000 1.093 81 E HN 0.311 nan 8.360 nan 0.000 0.394 82 P HA -0.119 nan 4.420 nan 0.000 0.267 82 P C 0.372 177.616 177.300 -0.094 0.000 1.200 82 P CA 0.698 63.790 63.100 -0.014 0.000 0.772 82 P CB 0.499 32.163 31.700 -0.060 0.000 0.855 83 T N -1.557 112.907 114.554 -0.150 0.000 8.285 83 T HA -0.259 4.099 4.350 0.014 0.000 0.317 83 T C 0.317 174.824 174.700 -0.321 0.000 2.029 83 T CA 1.238 63.076 62.100 -0.436 0.000 3.092 83 T CB -2.578 65.764 68.868 -0.878 0.000 2.254 83 T HN 0.466 nan 8.240 nan 0.000 1.172 84 C N 3.062 122.268 119.300 -0.157 0.000 2.534 84 C HA 0.611 5.079 4.460 0.014 0.000 0.385 84 C C 0.959 175.735 174.990 -0.357 0.000 1.264 84 C CA -0.851 57.991 59.018 -0.293 0.000 2.342 84 C CB 0.452 27.882 27.740 -0.518 0.000 2.564 84 C HN 0.637 nan 8.230 nan 0.000 0.603 85 N N 0.800 119.243 118.700 -0.429 0.000 2.473 85 N HA 0.480 5.229 4.740 0.014 0.000 0.291 85 N C -1.502 173.626 175.510 -0.635 0.000 1.083 85 N CA -0.181 52.656 53.050 -0.355 0.000 0.951 85 N CB 1.366 39.744 38.487 -0.182 0.000 1.164 85 N HN 0.628 nan 8.380 nan 0.000 0.480 86 Y N 0.039 120.057 120.300 -0.471 0.000 2.524 86 Y HA 0.377 4.935 4.550 0.014 0.000 0.347 86 Y C 0.024 175.632 175.900 -0.487 0.000 1.005 86 Y CA -0.996 56.758 58.100 -0.578 0.000 1.025 86 Y CB 2.216 40.086 38.460 -0.982 0.000 1.275 86 Y HN 0.289 nan 8.280 nan 0.000 0.460 87 R N 2.809 123.255 120.500 -0.089 0.000 2.480 87 R HA 0.617 4.966 4.340 0.014 0.000 0.306 87 R C -2.066 174.281 176.300 0.077 0.000 0.958 87 R CA -0.908 55.209 56.100 0.027 0.000 0.861 87 R CB 1.194 31.527 30.300 0.054 0.000 1.171 87 R HN 0.759 nan 8.270 nan 0.000 0.445 88 L N 3.921 125.245 121.223 0.168 0.000 2.262 88 L HA 0.389 4.738 4.340 0.014 0.000 0.288 88 L C -1.043 175.968 176.870 0.236 0.000 1.035 88 L CA 0.065 55.019 54.840 0.189 0.000 0.820 88 L CB 1.561 43.761 42.059 0.235 0.000 1.204 88 L HN 0.644 nan 8.230 nan 0.000 0.424 89 S N 4.489 120.288 115.700 0.167 0.000 2.541 89 S HA 0.665 5.144 4.470 0.014 0.000 0.283 89 S C -0.860 173.835 174.600 0.157 0.000 1.196 89 S CA -0.499 57.767 58.200 0.111 0.000 1.062 89 S CB 0.979 64.198 63.200 0.031 0.000 1.009 89 S HN 0.559 nan 8.310 nan 0.000 0.502 90 Y N -1.034 119.323 120.300 0.095 0.000 2.581 90 Y HA 0.797 5.356 4.550 0.014 0.000 0.345 90 Y C -0.864 175.049 175.900 0.021 0.000 1.036 90 Y CA -1.250 56.877 58.100 0.044 0.000 1.042 90 Y CB 1.290 39.795 38.460 0.075 0.000 1.289 90 Y HN 0.554 nan 8.280 nan 0.000 0.471 91 E N 2.098 122.404 120.200 0.176 0.000 2.260 91 E HA 0.538 4.896 4.350 0.014 0.000 0.266 91 E C -1.478 175.133 176.600 0.019 0.000 0.887 91 E CA -1.049 55.407 56.400 0.093 0.000 0.777 91 E CB 3.073 32.781 29.700 0.013 0.000 1.205 91 E HN 0.721 nan 8.360 nan 0.000 0.414 92 V N 0.044 119.938 119.914 -0.032 0.000 2.864 92 V HA 0.706 4.834 4.120 0.014 0.000 0.314 92 V C -0.482 175.436 176.094 -0.293 0.000 1.073 92 V CA -0.885 61.277 62.300 -0.230 0.000 0.956 92 V CB 1.735 33.279 31.823 -0.465 0.000 1.023 92 V HN 0.586 nan 8.190 nan 0.000 0.435 93 I N 3.360 123.735 120.570 -0.325 0.000 2.418 93 I HA 0.447 4.626 4.170 0.014 0.000 0.287 93 I C -0.367 175.607 176.117 -0.238 0.000 1.008 93 I CA -0.527 60.580 61.300 -0.321 0.000 1.104 93 I CB 1.640 39.410 38.000 -0.384 0.000 1.264 93 I HN 0.949 nan 8.210 nan 0.000 0.438 94 D N 6.475 126.753 120.400 -0.203 0.000 2.414 94 D HA 0.056 4.705 4.640 0.014 0.000 0.259 94 D C 1.155 177.318 176.300 -0.228 0.000 1.269 94 D CA -0.396 53.463 54.000 -0.235 0.000 1.028 94 D CB 0.756 41.414 40.800 -0.236 0.000 1.093 94 D HN 0.628 nan 8.370 nan 0.000 0.545 95 I N -3.486 116.854 120.570 -0.383 0.000 3.444 95 I HA 0.029 4.207 4.170 0.014 0.000 0.287 95 I C 0.194 176.139 176.117 -0.287 0.000 1.302 95 I CA 0.247 61.328 61.300 -0.365 0.000 1.368 95 I CB -0.671 37.070 38.000 -0.432 0.000 1.048 95 I HN 0.230 nan 8.210 nan 0.000 0.487 96 Y N 0.956 121.253 120.300 -0.005 0.000 2.660 96 Y HA 0.258 4.816 4.550 0.013 0.000 0.254 96 Y C 0.412 176.328 175.900 0.028 0.000 1.176 96 Y CA -0.785 57.322 58.100 0.011 0.000 1.195 96 Y CB 0.169 38.636 38.460 0.013 0.000 1.190 96 Y HN 0.192 nan 8.280 nan 0.000 0.535 97 D N 0.667 121.142 120.400 0.124 0.000 3.059 97 D HA -0.201 4.448 4.640 0.014 0.000 0.220 97 D C -0.768 175.654 176.300 0.204 0.000 1.169 97 D CA 0.623 54.705 54.000 0.137 0.000 0.902 97 D CB -0.952 39.926 40.800 0.129 0.000 1.116 97 D HN 0.404 nan 8.370 nan 0.000 0.417 98 N N 0.893 119.696 118.700 0.171 0.000 2.497 98 N HA 0.081 4.829 4.740 0.014 0.000 0.268 98 N C 0.087 175.712 175.510 0.191 0.000 1.171 98 N CA 0.431 53.590 53.050 0.181 0.000 0.948 98 N CB 0.463 39.037 38.487 0.145 0.000 1.069 98 N HN 0.221 nan 8.380 nan 0.000 0.460 99 H N 0.823 119.901 119.070 0.013 0.000 2.481 99 H HA 0.558 5.122 4.556 0.013 0.000 0.339 99 H C -0.292 175.050 175.328 0.023 0.000 1.131 99 H CA -0.435 55.615 56.048 0.004 0.000 1.301 99 H CB 1.107 30.875 29.762 0.010 0.000 1.476 99 H HN 0.342 nan 8.280 nan 0.000 0.529 100 L N 1.632 122.917 121.223 0.104 0.000 2.543 100 L HA 0.310 4.659 4.340 0.014 0.000 0.265 100 L C -1.301 175.650 176.870 0.136 0.000 0.945 100 L CA -0.393 54.527 54.840 0.133 0.000 0.869 100 L CB 1.966 44.115 42.059 0.151 0.000 1.294 100 L HN 0.675 nan 8.230 nan 0.000 0.405 101 Q N 2.978 122.825 119.800 0.079 0.000 2.293 101 Q HA 0.808 5.157 4.340 0.014 0.000 0.261 101 Q C -0.732 175.162 176.000 -0.178 0.000 0.960 101 Q CA -0.190 55.581 55.803 -0.054 0.000 0.882 101 Q CB 1.877 30.603 28.738 -0.020 0.000 1.275 101 Q HN 1.007 nan 8.270 nan 0.000 0.445 102 G N 2.056 110.474 108.800 -0.637 0.000 2.554 102 G HA2 0.519 4.487 3.960 0.014 0.000 0.306 102 G HA3 0.519 4.487 3.960 0.014 0.000 0.306 102 G C -2.177 172.336 174.900 -0.644 0.000 1.320 102 G CA -0.506 44.243 45.100 -0.584 0.000 0.800 102 G HN 0.707 nan 8.290 nan 0.000 0.481 103 Y N -1.419 118.667 120.300 -0.355 0.000 2.604 103 Y HA 0.736 5.293 4.550 0.012 0.000 0.331 103 Y C -0.950 175.017 175.900 0.112 0.000 1.158 103 Y CA -1.584 56.465 58.100 -0.086 0.000 1.056 103 Y CB 1.118 39.531 38.460 -0.078 0.000 1.330 103 Y HN 0.908 nan 8.280 nan 0.000 0.457 104 I N -0.278 120.307 120.570 0.024 0.000 2.797 104 I HA 0.867 5.045 4.170 0.014 0.000 0.307 104 I C -1.071 175.127 176.117 0.135 0.000 1.033 104 I CA -0.961 60.300 61.300 -0.065 0.000 1.071 104 I CB 2.534 40.570 38.000 0.061 0.000 1.255 104 I HN 0.810 nan 8.210 nan 0.000 0.445 105 E N 2.529 122.809 120.200 0.133 0.000 2.392 105 E HA 0.759 5.117 4.350 0.014 0.000 0.269 105 E C -1.600 175.148 176.600 0.248 0.000 0.924 105 E CA -0.635 55.862 56.400 0.161 0.000 0.784 105 E CB 2.928 32.718 29.700 0.149 0.000 1.292 105 E HN 0.626 nan 8.360 nan 0.000 0.447 106 F N -0.594 119.405 119.950 0.081 0.000 2.807 106 F HA 0.655 5.190 4.527 0.013 0.000 0.316 106 F C -2.441 173.422 175.800 0.104 0.000 1.162 106 F CA -1.215 56.826 58.000 0.069 0.000 0.910 106 F CB 0.716 39.748 39.000 0.054 0.000 1.314 106 F HN 0.359 nan 8.300 nan 0.000 0.454 107 L N 1.856 123.277 121.223 0.330 0.000 2.401 107 L HA 0.865 5.213 4.340 0.014 0.000 0.266 107 L C -1.535 175.523 176.870 0.315 0.000 0.991 107 L CA -0.923 54.052 54.840 0.224 0.000 0.818 107 L CB 2.369 44.508 42.059 0.134 0.000 1.321 107 L HN 0.657 nan 8.230 nan 0.000 0.413 108 V N 4.487 124.559 119.914 0.263 0.000 2.370 108 V HA 0.467 4.595 4.120 0.014 0.000 0.283 108 V C 0.050 176.240 176.094 0.161 0.000 1.023 108 V CA -1.046 61.400 62.300 0.243 0.000 0.857 108 V CB 1.232 33.217 31.823 0.269 0.000 0.985 108 V HN 0.787 nan 8.190 nan 0.000 0.443 109 N N 2.804 121.595 118.700 0.152 0.000 2.305 109 N HA -0.004 4.744 4.740 0.014 0.000 0.232 109 N C 0.073 175.611 175.510 0.047 0.000 1.274 109 N CA 0.022 53.162 53.050 0.149 0.000 0.870 109 N CB 0.301 38.877 38.487 0.149 0.000 1.105 109 N HN 0.808 nan 8.380 nan 0.000 0.436 110 Q N 0.032 119.838 119.800 0.011 0.000 2.354 110 Q HA 0.232 4.581 4.340 0.014 0.000 0.244 110 Q C 0.326 176.022 176.000 -0.507 0.000 0.969 110 Q CA 0.030 55.705 55.803 -0.213 0.000 0.885 110 Q CB 0.701 29.388 28.738 -0.085 0.000 1.241 110 Q HN 0.640 nan 8.270 nan 0.000 0.461 111 S N 1.190 116.647 115.700 -0.404 0.000 2.549 111 S HA 0.296 4.774 4.470 0.014 0.000 0.225 111 S C -0.321 174.058 174.600 -0.368 0.000 1.039 111 S CA -0.231 57.756 58.200 -0.355 0.000 0.942 111 S CB 0.027 63.128 63.200 -0.166 0.000 0.881 111 S HN 0.647 nan 8.310 nan 0.000 0.503 112 N N 0.817 119.300 118.700 -0.361 0.000 2.573 112 N HA 0.447 5.195 4.740 0.014 0.000 0.262 112 N C -1.691 173.674 175.510 -0.242 0.000 1.029 112 N CA -0.460 52.447 53.050 -0.238 0.000 0.882 112 N CB 1.106 39.521 38.487 -0.121 0.000 1.204 112 N HN 0.261 nan 8.380 nan 0.000 0.519 113 Y N 1.257 121.425 120.300 -0.219 0.000 2.354 113 Y HA 0.396 4.954 4.550 0.013 0.000 0.322 113 Y C -1.745 174.008 175.900 -0.245 0.000 1.253 113 Y CA -2.399 55.480 58.100 -0.369 0.000 1.272 113 Y CB 0.799 38.697 38.460 -0.938 0.000 1.255 113 Y HN 0.340 nan 8.280 nan 0.000 0.500 114 P HA -0.045 nan 4.420 nan 0.000 0.266 114 P C -1.254 176.060 177.300 0.022 0.000 1.195 114 P CA -0.005 63.079 63.100 -0.028 0.000 0.768 114 P CB 0.459 32.112 31.700 -0.079 0.000 0.838 115 Q N 2.843 122.649 119.800 0.011 0.000 2.421 115 Q HA 0.307 4.655 4.340 0.014 0.000 0.242 115 Q C -0.224 175.759 176.000 -0.028 0.000 1.024 115 Q CA -0.215 55.596 55.803 0.013 0.000 0.891 115 Q CB 0.390 29.130 28.738 0.003 0.000 1.222 115 Q HN 0.352 nan 8.270 nan 0.000 0.483 116 I N 4.503 125.041 120.570 -0.052 0.000 2.331 116 I HA 0.304 4.483 4.170 0.014 0.000 0.292 116 I C -1.911 174.148 176.117 -0.096 0.000 0.998 116 I CA -2.725 58.488 61.300 -0.145 0.000 1.267 116 I CB 0.578 38.380 38.000 -0.331 0.000 1.386 116 I HN 0.175 nan 8.210 nan 0.000 0.476 117 P HA 0.095 nan 4.420 nan 0.000 0.266 117 P C 0.471 177.742 177.300 -0.048 0.000 1.195 117 P CA -0.093 62.956 63.100 -0.084 0.000 0.768 117 P CB 0.890 32.514 31.700 -0.128 0.000 0.838 118 D N 1.282 121.669 120.400 -0.022 0.000 2.133 118 D HA -0.205 4.443 4.640 0.014 0.000 0.192 118 D C 1.598 177.914 176.300 0.027 0.000 1.001 118 D CA 1.544 55.548 54.000 0.006 0.000 0.844 118 D CB -0.281 40.523 40.800 0.007 0.000 0.944 118 D HN 0.454 nan 8.370 nan 0.000 0.447 119 Q N 0.084 119.892 119.800 0.013 0.000 2.439 119 Q HA -0.101 4.247 4.340 0.014 0.000 0.211 119 Q C 0.834 176.861 176.000 0.046 0.000 0.978 119 Q CA 1.044 56.864 55.803 0.029 0.000 0.897 119 Q CB 0.213 28.953 28.738 0.002 0.000 0.956 119 Q HN 0.238 nan 8.270 nan 0.000 0.483 120 E N -1.290 118.940 120.200 0.049 0.000 2.601 120 E HA 0.127 4.485 4.350 0.014 0.000 0.219 120 E C -0.497 176.227 176.600 0.207 0.000 0.964 120 E CA -0.088 56.382 56.400 0.117 0.000 1.050 120 E CB 0.914 30.677 29.700 0.105 0.000 1.068 120 E HN 0.035 nan 8.360 nan 0.000 0.496 121 V N 3.159 123.166 119.914 0.154 0.000 2.763 121 V HA -0.029 4.099 4.120 0.014 0.000 0.306 121 V C 0.817 177.060 176.094 0.249 0.000 1.059 121 V CA -0.133 62.301 62.300 0.223 0.000 1.138 121 V CB 0.413 32.306 31.823 0.116 0.000 0.940 121 V HN 0.154 nan 8.190 nan 0.000 0.489 122 N N 2.505 121.365 118.700 0.267 0.000 2.415 122 N HA 0.165 4.913 4.740 0.014 0.000 0.248 122 N C -0.237 175.368 175.510 0.159 0.000 1.271 122 N CA 0.087 53.175 53.050 0.062 0.000 0.913 122 N CB 0.292 38.701 38.487 -0.131 0.000 1.129 122 N HN 0.696 nan 8.380 nan 0.000 0.444 123 H N -0.390 118.705 119.070 0.041 0.000 2.463 123 H HA 0.455 5.019 4.556 0.014 0.000 0.332 123 H C -0.364 175.000 175.328 0.061 0.000 1.127 123 H CA -0.438 55.643 56.048 0.056 0.000 1.238 123 H CB 1.314 31.128 29.762 0.087 0.000 1.478 123 H HN 0.333 nan 8.280 nan 0.000 0.499 124 T N 3.492 118.156 114.554 0.184 0.000 2.982 124 T HA 0.369 4.727 4.350 0.014 0.000 0.321 124 T C -0.568 174.298 174.700 0.276 0.000 1.229 124 T CA -0.681 61.531 62.100 0.186 0.000 1.044 124 T CB 1.385 70.290 68.868 0.062 0.000 1.184 124 T HN 0.350 nan 8.240 nan 0.000 0.477 125 I N 2.329 123.102 120.570 0.338 0.000 2.569 125 I HA 0.553 4.732 4.170 0.014 0.000 0.296 125 I C -1.110 175.180 176.117 0.289 0.000 1.028 125 I CA -1.161 60.322 61.300 0.304 0.000 1.082 125 I CB 2.104 40.316 38.000 0.354 0.000 1.264 125 I HN 0.357 nan 8.210 nan 0.000 0.429 126 L N 5.360 126.595 121.223 0.020 0.000 2.280 126 L HA 0.325 4.673 4.340 0.014 0.000 0.287 126 L C 0.056 176.934 176.870 0.014 0.000 1.023 126 L CA -0.007 54.725 54.840 -0.180 0.000 0.819 126 L CB 1.356 42.946 42.059 -0.782 0.000 1.212 126 L HN 0.588 nan 8.230 nan 0.000 0.420 127 Q N 4.352 124.175 119.800 0.039 0.000 2.301 127 Q HA 0.219 4.568 4.340 0.014 0.000 0.262 127 Q C 0.256 176.102 176.000 -0.257 0.000 1.168 127 Q CA 0.150 55.767 55.803 -0.310 0.000 0.908 127 Q CB 0.840 29.242 28.738 -0.561 0.000 1.348 127 Q HN 0.861 nan 8.270 nan 0.000 0.441 128 A N 5.825 128.509 122.820 -0.227 0.000 2.543 128 A HA 0.312 4.640 4.320 0.014 0.000 0.258 128 A C -0.607 176.722 177.584 -0.425 0.000 1.391 128 A CA -0.256 51.706 52.037 -0.124 0.000 1.066 128 A CB -0.755 18.183 19.000 -0.103 0.000 0.972 128 A HN 0.713 nan 8.150 nan 0.000 0.560 129 F N -3.974 115.643 119.950 -0.555 0.000 2.817 129 F HA 0.704 5.240 4.527 0.015 0.000 0.317 129 F C -0.964 174.787 175.800 -0.082 0.000 1.168 129 F CA -1.772 55.859 58.000 -0.614 0.000 0.911 129 F CB 0.829 39.449 39.000 -0.633 0.000 1.337 129 F HN 0.145 nan 8.300 nan 0.000 0.464 130 Y N -2.004 118.247 120.300 -0.081 0.000 2.705 130 Y HA 0.365 4.924 4.550 0.015 0.000 0.332 130 Y C -0.039 176.003 175.900 0.236 0.000 1.221 130 Y CA -1.657 56.520 58.100 0.127 0.000 1.059 130 Y CB 0.832 39.280 38.460 -0.019 0.000 1.298 130 Y HN 0.913 nan 8.280 nan 0.000 0.459 131 W N 1.321 122.756 121.300 0.224 0.000 2.354 131 W HA -0.122 4.547 4.660 0.014 0.000 0.315 131 W C 0.471 176.927 176.519 -0.105 0.000 1.206 131 W CA 2.705 60.139 57.345 0.148 0.000 1.290 131 W CB 0.167 29.781 29.460 0.256 0.000 1.152 131 W HN 0.877 nan 8.180 nan 0.000 0.489 132 E N 0.002 120.137 120.200 -0.109 0.000 2.489 132 E HA -0.012 4.346 4.350 0.014 0.000 0.193 132 E C 0.829 177.139 176.600 -0.484 0.000 1.057 132 E CA -0.082 56.167 56.400 -0.251 0.000 0.866 132 E CB -0.442 29.098 29.700 -0.268 0.000 0.916 132 E HN 0.098 nan 8.360 nan 0.000 0.500 133 M N 1.400 120.427 119.600 -0.955 0.000 2.255 133 M HA -0.122 4.366 4.480 0.014 0.000 0.356 133 M C 0.016 176.113 176.300 -0.338 0.000 1.338 133 M CA 0.655 55.476 55.300 -0.799 0.000 0.962 133 M CB 0.134 32.158 32.600 -0.960 0.000 1.877 133 M HN 0.127 nan 8.290 nan 0.000 0.463 134 N N 1.762 120.392 118.700 -0.115 0.000 2.693 134 N HA -0.165 4.583 4.740 0.014 0.000 0.249 134 N C -1.050 174.445 175.510 -0.026 0.000 1.119 134 N CA 1.404 54.419 53.050 -0.058 0.000 0.717 134 N CB -0.866 37.529 38.487 -0.152 0.000 1.071 134 N HN 0.953 nan 8.380 nan 0.000 0.555 135 T N -4.216 110.364 114.554 0.043 0.000 2.924 135 T HA 0.726 5.084 4.350 0.014 0.000 0.291 135 T C 1.137 175.974 174.700 0.227 0.000 1.045 135 T CA 0.331 62.492 62.100 0.100 0.000 1.015 135 T CB 1.925 70.833 68.868 0.068 0.000 1.103 135 T HN 0.913 nan 8.240 nan 0.000 0.496 136 G N 1.827 110.730 108.800 0.172 0.000 2.596 136 G HA2 -0.274 3.695 3.960 0.014 0.000 0.295 136 G HA3 -0.274 3.695 3.960 0.014 0.000 0.295 136 G C 0.679 175.653 174.900 0.122 0.000 1.240 136 G CA 0.544 45.744 45.100 0.166 0.000 0.985 136 G HN 0.847 nan 8.290 nan 0.000 0.555 137 E N -0.071 120.164 120.200 0.058 0.000 2.358 137 E HA 0.008 4.366 4.350 0.014 0.000 0.195 137 E C 2.217 178.794 176.600 -0.038 0.000 1.010 137 E CA 0.937 57.318 56.400 -0.032 0.000 0.856 137 E CB -0.030 29.608 29.700 -0.104 0.000 0.795 137 E HN 0.610 nan 8.360 nan 0.000 0.504 138 Y N 0.872 121.254 120.300 0.136 0.000 2.165 138 Y HA -0.268 4.290 4.550 0.013 0.000 0.286 138 Y C 2.508 178.511 175.900 0.172 0.000 1.155 138 Y CA 1.253 59.474 58.100 0.201 0.000 1.164 138 Y CB -0.467 38.127 38.460 0.224 0.000 0.978 138 Y HN 0.066 nan 8.280 nan 0.000 0.513 139 A N -0.492 122.466 122.820 0.230 0.000 1.902 139 A HA -0.182 4.146 4.320 0.014 0.000 0.217 139 A C 2.271 179.905 177.584 0.084 0.000 1.181 139 A CA 2.186 54.301 52.037 0.130 0.000 0.623 139 A CB -1.214 17.832 19.000 0.076 0.000 0.818 139 A HN 0.414 nan 8.150 nan 0.000 0.443 140 T N 0.491 115.078 114.554 0.056 0.000 2.643 140 T HA -0.137 4.221 4.350 0.014 0.000 0.264 140 T C 1.706 176.391 174.700 -0.025 0.000 1.045 140 T CA 1.655 63.761 62.100 0.009 0.000 1.155 140 T CB -0.333 68.532 68.868 -0.005 0.000 0.863 140 T HN 0.680 nan 8.240 nan 0.000 0.420 141 E N 0.383 120.553 120.200 -0.050 0.000 2.347 141 E HA -0.062 4.296 4.350 0.014 0.000 0.196 141 E C 0.271 176.609 176.600 -0.437 0.000 1.008 141 E CA 0.736 57.006 56.400 -0.217 0.000 0.852 141 E CB 0.011 29.565 29.700 -0.244 0.000 0.783 141 E HN 0.598 nan 8.360 nan 0.000 0.505 142 H N 0.248 119.352 119.070 0.057 0.000 2.439 142 H HA 0.147 4.711 4.556 0.013 0.000 0.228 142 H C -1.890 173.472 175.328 0.057 0.000 1.423 142 H CA -1.493 54.598 56.048 0.072 0.000 1.386 142 H CB 1.145 30.992 29.762 0.141 0.000 1.641 142 H HN 0.057 nan 8.280 nan 0.000 0.508 143 P HA -0.123 nan 4.420 nan 0.000 0.229 143 P C 1.466 178.792 177.300 0.042 0.000 1.160 143 P CA 0.751 63.880 63.100 0.048 0.000 0.777 143 P CB 0.483 32.190 31.700 0.013 0.000 0.814 144 E N 1.570 121.807 120.200 0.061 0.000 2.209 144 E HA -0.209 4.149 4.350 0.014 0.000 0.196 144 E C 1.212 177.834 176.600 0.036 0.000 0.993 144 E CA 1.247 57.673 56.400 0.044 0.000 0.819 144 E CB -1.037 28.693 29.700 0.050 0.000 0.745 144 E HN 0.383 nan 8.360 nan 0.000 0.477 145 E N 0.509 120.748 120.200 0.064 0.000 2.502 145 E HA 0.135 4.493 4.350 0.014 0.000 0.194 145 E C 1.619 178.174 176.600 -0.074 0.000 1.062 145 E CA 0.412 56.819 56.400 0.012 0.000 0.867 145 E CB 0.073 29.821 29.700 0.080 0.000 0.888 145 E HN 0.402 nan 8.360 nan 0.000 0.510 146 A N 1.291 124.074 122.820 -0.061 0.000 2.216 146 A HA -0.083 4.246 4.320 0.014 0.000 0.214 146 A C 0.355 177.849 177.584 -0.150 0.000 1.160 146 A CA 0.745 52.713 52.037 -0.114 0.000 0.725 146 A CB -0.076 18.876 19.000 -0.080 0.000 0.784 146 A HN 0.113 nan 8.150 nan 0.000 0.472 147 N N -0.953 117.670 118.700 -0.128 0.000 2.725 147 N HA 0.291 5.039 4.740 0.014 0.000 0.248 147 N C 0.123 175.549 175.510 -0.140 0.000 1.402 147 N CA -0.381 52.581 53.050 -0.146 0.000 0.766 147 N CB 1.205 39.645 38.487 -0.079 0.000 1.223 147 N HN 0.126 nan 8.380 nan 0.000 0.515 148 L N 0.135 121.203 121.223 -0.258 0.000 2.093 148 L HA 0.129 4.477 4.340 0.014 0.000 0.208 148 L C 1.238 178.095 176.870 -0.022 0.000 1.085 148 L CA 1.708 56.409 54.840 -0.232 0.000 0.755 148 L CB -0.254 41.554 42.059 -0.418 0.000 0.904 148 L HN 0.601 nan 8.230 nan 0.000 0.435 149 W N -0.362 120.894 121.300 -0.074 0.000 2.338 149 W HA -0.233 4.435 4.660 0.014 0.000 0.304 149 W C 2.354 178.830 176.519 -0.070 0.000 1.212 149 W CA 0.297 57.591 57.345 -0.086 0.000 1.264 149 W CB -0.512 28.907 29.460 -0.068 0.000 1.142 149 W HN 0.244 nan 8.180 nan 0.000 0.512 150 N N 0.625 119.432 118.700 0.177 0.000 2.120 150 N HA -0.163 4.585 4.740 0.014 0.000 0.188 150 N C 1.589 177.137 175.510 0.063 0.000 1.024 150 N CA 1.282 54.385 53.050 0.087 0.000 0.852 150 N CB -0.981 37.534 38.487 0.046 0.000 1.003 150 N HN 0.075 nan 8.380 nan 0.000 0.424 151 L N 0.904 122.161 121.223 0.056 0.000 2.093 151 L HA 0.037 4.385 4.340 0.014 0.000 0.208 151 L C 1.878 178.799 176.870 0.084 0.000 1.085 151 L CA 1.186 56.062 54.840 0.059 0.000 0.755 151 L CB -0.438 41.655 42.059 0.057 0.000 0.904 151 L HN 0.126 nan 8.230 nan 0.000 0.435 152 L N -0.996 120.284 121.223 0.094 0.000 2.072 152 L HA -0.106 4.242 4.340 0.014 0.000 0.205 152 L C 2.666 179.563 176.870 0.045 0.000 1.079 152 L CA 0.990 55.883 54.840 0.089 0.000 0.752 152 L CB -0.971 41.133 42.059 0.076 0.000 0.906 152 L HN 0.333 nan 8.230 nan 0.000 0.436 153 A N -0.225 122.613 122.820 0.030 0.000 1.908 153 A HA -0.262 4.067 4.320 0.014 0.000 0.218 153 A C 2.304 179.899 177.584 0.017 0.000 1.181 153 A CA 1.875 53.913 52.037 0.002 0.000 0.627 153 A CB -0.529 18.470 19.000 -0.001 0.000 0.818 153 A HN 0.434 nan 8.150 nan 0.000 0.445 154 E N -0.216 120.003 120.200 0.032 0.000 2.051 154 E HA -0.174 4.185 4.350 0.014 0.000 0.192 154 E C 2.032 178.659 176.600 0.046 0.000 0.991 154 E CA 1.034 57.454 56.400 0.034 0.000 0.799 154 E CB -0.111 29.609 29.700 0.034 0.000 0.748 154 E HN 0.584 nan 8.360 nan 0.000 0.449 155 R N -0.236 120.302 120.500 0.064 0.000 2.299 155 R HA 0.120 4.469 4.340 0.014 0.000 0.197 155 R C 2.160 178.518 176.300 0.096 0.000 0.971 155 R CA 0.394 56.549 56.100 0.092 0.000 1.030 155 R CB 0.058 30.433 30.300 0.124 0.000 0.932 155 R HN 0.108 nan 8.270 nan 0.000 0.477 156 A N 2.749 125.607 122.820 0.063 0.000 1.884 156 A HA -0.147 4.182 4.320 0.014 0.000 0.219 156 A C -0.460 177.161 177.584 0.062 0.000 1.197 156 A CA 1.358 53.423 52.037 0.046 0.000 0.637 156 A CB -1.364 17.639 19.000 0.005 0.000 0.827 156 A HN 0.143 nan 8.150 nan 0.000 0.450 157 P HA -0.220 nan 4.420 nan 0.000 0.216 157 P C 1.379 178.732 177.300 0.088 0.000 1.153 157 P CA 1.708 64.845 63.100 0.063 0.000 0.858 157 P CB -0.192 31.540 31.700 0.054 0.000 0.789 158 E N -0.368 119.898 120.200 0.110 0.000 2.216 158 E HA -0.068 4.290 4.350 0.014 0.000 0.192 158 E C 1.957 178.672 176.600 0.191 0.000 0.988 158 E CA 0.643 57.127 56.400 0.141 0.000 0.834 158 E CB -1.046 28.744 29.700 0.149 0.000 0.772 158 E HN 0.223 nan 8.360 nan 0.000 0.479 159 L N 1.360 122.709 121.223 0.209 0.000 1.994 159 L HA -0.177 4.171 4.340 0.014 0.000 0.208 159 L C 2.903 179.926 176.870 0.256 0.000 1.071 159 L CA 1.455 56.473 54.840 0.297 0.000 0.745 159 L CB -0.726 41.451 42.059 0.197 0.000 0.892 159 L HN 0.214 nan 8.230 nan 0.000 0.431 160 A N -0.273 122.636 122.820 0.148 0.000 1.917 160 A HA -0.302 4.026 4.320 0.014 0.000 0.219 160 A C 2.247 179.869 177.584 0.063 0.000 1.182 160 A CA 2.170 54.262 52.037 0.092 0.000 0.633 160 A CB -0.667 18.370 19.000 0.061 0.000 0.819 160 A HN 0.504 nan 8.150 nan 0.000 0.448 161 E N -0.529 119.720 120.200 0.082 0.000 2.204 161 E HA -0.085 4.273 4.350 0.014 0.000 0.195 161 E C 1.996 178.623 176.600 0.045 0.000 0.990 161 E CA 0.766 57.212 56.400 0.076 0.000 0.821 161 E CB -0.193 29.568 29.700 0.101 0.000 0.750 161 E HN 0.594 nan 8.360 nan 0.000 0.477 162 A N -0.326 122.517 122.820 0.039 0.000 2.066 162 A HA 0.103 4.431 4.320 0.014 0.000 0.218 162 A C 1.830 179.232 177.584 -0.302 0.000 1.157 162 A CA 1.376 53.376 52.037 -0.062 0.000 0.670 162 A CB -0.123 18.894 19.000 0.029 0.000 0.804 162 A HN 0.466 nan 8.150 nan 0.000 0.453 163 G N -2.634 106.003 108.800 -0.270 0.000 2.296 163 G HA2 -0.135 3.834 3.960 0.014 0.000 0.188 163 G HA3 -0.135 3.834 3.960 0.014 0.000 0.188 163 G C 0.077 174.813 174.900 -0.272 0.000 1.000 163 G CA -0.253 44.651 45.100 -0.326 0.000 0.672 163 G HN 0.287 nan 8.290 nan 0.000 0.483 164 F N 2.064 121.977 119.950 -0.062 0.000 2.529 164 F HA 0.419 4.954 4.527 0.013 0.000 0.365 164 F C 1.952 177.714 175.800 -0.063 0.000 1.102 164 F CA 1.146 59.108 58.000 -0.063 0.000 1.271 164 F CB 1.457 40.413 39.000 -0.073 0.000 1.120 164 F HN 0.088 nan 8.300 nan 0.000 0.579 165 T N -0.716 113.906 114.554 0.112 0.000 2.985 165 T HA 0.643 5.001 4.350 0.014 0.000 0.254 165 T C 0.148 174.772 174.700 -0.127 0.000 1.021 165 T CA 0.184 62.271 62.100 -0.022 0.000 0.957 165 T CB 0.247 69.076 68.868 -0.065 0.000 1.047 165 T HN 0.658 nan 8.240 nan 0.000 0.511 166 A N 1.054 123.806 122.820 -0.113 0.000 2.606 166 A HA 0.757 5.086 4.320 0.014 0.000 0.293 166 A C -1.264 176.187 177.584 -0.222 0.000 1.082 166 A CA -0.725 51.115 52.037 -0.328 0.000 0.685 166 A CB 1.716 20.364 19.000 -0.587 0.000 1.284 166 A HN 0.944 nan 8.150 nan 0.000 0.408 167 V N -2.118 117.613 119.914 -0.304 0.000 2.525 167 V HA 0.742 4.870 4.120 0.014 0.000 0.299 167 V C -0.911 175.200 176.094 0.028 0.000 1.034 167 V CA -0.613 61.613 62.300 -0.124 0.000 0.863 167 V CB 1.244 32.991 31.823 -0.126 0.000 0.999 167 V HN 1.400 nan 8.190 nan 0.000 0.423 168 W N 7.144 128.480 121.300 0.061 0.000 2.358 168 W HA 0.696 5.364 4.660 0.013 0.000 0.307 168 W C -0.932 175.712 176.519 0.207 0.000 1.203 168 W CA -1.730 55.752 57.345 0.228 0.000 1.279 168 W CB 0.450 30.138 29.460 0.380 0.000 1.264 168 W HN 0.697 nan 8.180 nan 0.000 0.474 169 L N 9.116 130.535 121.223 0.326 0.000 2.418 169 L HA 0.351 4.699 4.340 0.014 0.000 0.265 169 L C -1.228 175.531 176.870 -0.186 0.000 1.143 169 L CA -2.027 52.837 54.840 0.040 0.000 0.809 169 L CB 0.521 42.574 42.059 -0.009 0.000 1.124 169 L HN 0.314 nan 8.230 nan 0.000 0.456 170 P HA 0.142 nan 4.420 nan 0.000 0.272 170 P C -2.626 174.229 177.300 -0.741 0.000 1.240 170 P CA -1.529 60.663 63.100 -1.514 0.000 0.791 170 P CB -0.476 29.962 31.700 -2.103 0.000 0.978 171 P HA 0.001 nan 4.420 nan 0.000 0.264 171 P C 0.293 177.419 177.300 -0.289 0.000 1.193 171 P CA 0.586 63.422 63.100 -0.440 0.000 0.763 171 P CB -0.056 31.430 31.700 -0.357 0.000 0.810 172 A N 3.285 125.880 122.820 -0.374 0.000 2.308 172 A HA 0.049 4.378 4.320 0.014 0.000 0.217 172 A C 0.831 178.602 177.584 0.313 0.000 1.216 172 A CA 0.046 52.131 52.037 0.080 0.000 0.864 172 A CB -0.590 18.378 19.000 -0.053 0.000 0.902 172 A HN 0.645 nan 8.150 nan 0.000 0.499 173 N N -0.472 118.423 118.700 0.325 0.000 2.502 173 N HA 0.323 5.072 4.740 0.014 0.000 0.280 173 N C -0.513 175.148 175.510 0.252 0.000 1.223 173 N CA -0.697 52.573 53.050 0.366 0.000 0.966 173 N CB 0.755 39.487 38.487 0.410 0.000 1.203 173 N HN -0.104 nan 8.380 nan 0.000 0.565 174 K N -0.549 120.018 120.400 0.279 0.000 2.382 174 K HA 0.362 4.690 4.320 0.014 0.000 0.275 174 K C -0.106 176.644 176.600 0.249 0.000 1.009 174 K CA -0.020 56.421 56.287 0.256 0.000 0.970 174 K CB 0.293 33.003 32.500 0.349 0.000 0.934 174 K HN 0.738 nan 8.250 nan 0.000 0.479 175 G N 2.672 111.571 108.800 0.164 0.000 2.600 175 G HA2 0.345 4.313 3.960 0.014 0.000 0.303 175 G HA3 0.345 4.313 3.960 0.014 0.000 0.303 175 G C 0.558 175.528 174.900 0.117 0.000 1.253 175 G CA -0.527 44.667 45.100 0.158 0.000 0.974 175 G HN 0.835 nan 8.290 nan 0.000 0.483 176 M N 0.186 119.864 119.600 0.130 0.000 2.213 176 M HA 0.095 4.583 4.480 0.014 0.000 0.263 176 M C 1.885 178.172 176.300 -0.022 0.000 1.062 176 M CA 2.300 57.625 55.300 0.041 0.000 1.105 176 M CB 0.015 32.656 32.600 0.067 0.000 1.385 176 M HN 0.411 nan 8.290 nan 0.000 0.417 177 A N 0.733 123.555 122.820 0.004 0.000 2.259 177 A HA 0.474 4.803 4.320 0.014 0.000 0.208 177 A C 1.583 179.169 177.584 0.004 0.000 1.201 177 A CA 0.625 52.663 52.037 0.001 0.000 0.824 177 A CB -1.438 17.574 19.000 0.019 0.000 0.838 177 A HN 0.904 nan 8.150 nan 0.000 0.485 178 G N 0.314 109.094 108.800 -0.032 0.000 2.622 178 G HA2 -0.406 3.562 3.960 0.014 0.000 0.307 178 G HA3 -0.406 3.562 3.960 0.014 0.000 0.307 178 G C 1.054 175.877 174.900 -0.128 0.000 1.226 178 G CA 0.598 45.663 45.100 -0.059 0.000 0.997 178 G HN 0.920 nan 8.290 nan 0.000 0.551 179 I N 1.155 121.605 120.570 -0.200 0.000 2.657 179 I HA -0.068 4.110 4.170 0.014 0.000 0.261 179 I C 2.016 177.804 176.117 -0.548 0.000 1.212 179 I CA 2.009 63.073 61.300 -0.393 0.000 1.453 179 I CB -0.097 37.650 38.000 -0.421 0.000 1.092 179 I HN 0.528 nan 8.210 nan 0.000 0.452 180 H N -0.792 118.160 119.070 -0.197 0.000 2.551 180 H HA 0.185 4.749 4.556 0.014 0.000 0.271 180 H C 0.088 175.273 175.328 -0.239 0.000 0.984 180 H CA -0.063 55.857 56.048 -0.213 0.000 1.164 180 H CB -0.147 29.529 29.762 -0.143 0.000 1.437 180 H HN 0.280 nan 8.280 nan 0.000 0.550 181 D N 1.504 121.814 120.400 -0.151 0.000 2.325 181 D HA 0.011 4.659 4.640 0.014 0.000 0.251 181 D C 1.341 177.476 176.300 -0.275 0.000 1.196 181 D CA -0.105 53.810 54.000 -0.142 0.000 0.866 181 D CB 1.897 42.656 40.800 -0.067 0.000 1.101 181 D HN -0.079 nan 8.370 nan 0.000 0.476 182 V N 3.781 123.493 119.914 -0.337 0.000 2.660 182 V HA -0.126 4.003 4.120 0.014 0.000 0.257 182 V C 1.839 177.772 176.094 -0.268 0.000 1.088 182 V CA 1.996 64.044 62.300 -0.420 0.000 1.106 182 V CB -0.447 30.902 31.823 -0.789 0.000 0.686 182 V HN 0.951 nan 8.190 nan 0.000 0.481 183 G N -2.367 106.312 108.800 -0.201 0.000 2.227 183 G HA2 -0.236 3.732 3.960 0.014 0.000 0.168 183 G HA3 -0.236 3.732 3.960 0.014 0.000 0.168 183 G C 0.391 175.134 174.900 -0.262 0.000 1.006 183 G CA 0.108 45.069 45.100 -0.232 0.000 0.684 183 G HN 0.456 nan 8.290 nan 0.000 0.489 184 Y N 1.151 121.553 120.300 0.168 0.000 2.546 184 Y HA 0.327 4.886 4.550 0.014 0.000 0.287 184 Y C 2.362 178.441 175.900 0.299 0.000 1.158 184 Y CA 0.700 58.958 58.100 0.263 0.000 1.307 184 Y CB 0.533 39.214 38.460 0.368 0.000 1.036 184 Y HN 0.308 nan 8.280 nan 0.000 0.532 185 G N 0.796 109.774 108.800 0.297 0.000 3.541 185 G HA2 0.061 4.029 3.960 0.014 0.000 0.253 185 G HA3 0.061 4.029 3.960 0.014 0.000 0.253 185 G C -0.070 174.988 174.900 0.264 0.000 1.017 185 G CA -0.388 44.877 45.100 0.274 0.000 1.832 185 G HN 0.037 nan 8.290 nan 0.000 0.649 186 T N 0.522 115.231 114.554 0.259 0.000 2.866 186 T HA -0.070 4.289 4.350 0.014 0.000 0.293 186 T C 0.466 175.274 174.700 0.180 0.000 1.005 186 T CA 0.511 62.687 62.100 0.127 0.000 1.162 186 T CB 1.073 69.903 68.868 -0.063 0.000 0.968 186 T HN 0.492 nan 8.240 nan 0.000 0.530 187 Y N 2.083 122.441 120.300 0.098 0.000 2.583 187 Y HA 0.312 4.870 4.550 0.014 0.000 0.270 187 Y C 0.276 176.304 175.900 0.214 0.000 1.113 187 Y CA -0.097 58.143 58.100 0.233 0.000 1.307 187 Y CB 0.790 39.411 38.460 0.269 0.000 1.369 187 Y HN 0.531 nan 8.280 nan 0.000 0.506 188 D N 0.498 120.889 120.400 -0.016 0.000 2.476 188 D HA 0.242 4.891 4.640 0.014 0.000 0.251 188 D C 0.366 176.600 176.300 -0.110 0.000 1.291 188 D CA -0.129 53.678 54.000 -0.322 0.000 0.939 188 D CB 1.238 41.834 40.800 -0.341 0.000 1.221 188 D HN 0.372 nan 8.370 nan 0.000 0.567 189 L N 2.077 123.134 121.223 -0.276 0.000 2.275 189 L HA -0.021 4.327 4.340 0.014 0.000 0.215 189 L C 1.171 178.085 176.870 0.074 0.000 1.119 189 L CA 0.820 55.480 54.840 -0.301 0.000 0.790 189 L CB 0.005 41.335 42.059 -1.215 0.000 0.919 189 L HN 0.482 nan 8.230 nan 0.000 0.443 190 W N -0.938 120.392 121.300 0.050 0.000 3.197 190 W HA 0.022 4.691 4.660 0.014 0.000 0.274 190 W C 0.645 177.354 176.519 0.316 0.000 1.297 190 W CA -0.503 56.899 57.345 0.096 0.000 1.662 190 W CB 0.287 29.675 29.460 -0.120 0.000 1.106 190 W HN -0.050 nan 8.180 nan 0.000 0.663 191 D N 1.083 121.805 120.400 0.536 0.000 2.485 191 D HA 0.139 4.787 4.640 0.014 0.000 0.221 191 D C 0.178 176.779 176.300 0.502 0.000 1.112 191 D CA -0.020 54.355 54.000 0.625 0.000 0.911 191 D CB 0.336 41.477 40.800 0.568 0.000 1.019 191 D HN 0.065 nan 8.370 nan 0.000 0.516 192 L N 2.974 124.494 121.223 0.495 0.000 2.805 192 L HA 0.352 4.700 4.340 0.014 0.000 0.237 192 L C 1.231 178.291 176.870 0.316 0.000 1.252 192 L CA -0.095 54.992 54.840 0.412 0.000 1.064 192 L CB -0.310 41.977 42.059 0.380 0.000 1.361 192 L HN 0.677 nan 8.230 nan 0.000 0.474 193 G N 0.763 109.731 108.800 0.281 0.000 2.167 193 G HA2 -0.232 3.736 3.960 0.014 0.000 0.194 193 G HA3 -0.232 3.736 3.960 0.014 0.000 0.194 193 G C 0.400 175.366 174.900 0.111 0.000 1.027 193 G CA 0.282 45.502 45.100 0.202 0.000 0.717 193 G HN 0.543 nan 8.290 nan 0.000 0.501 194 E N -1.230 119.000 120.200 0.049 0.000 2.453 194 E HA 0.417 4.775 4.350 0.014 0.000 0.211 194 E C 0.122 176.455 176.600 -0.446 0.000 0.897 194 E CA -0.193 56.059 56.400 -0.246 0.000 1.063 194 E CB 0.414 29.876 29.700 -0.397 0.000 1.080 194 E HN 0.404 nan 8.360 nan 0.000 0.512 195 F N 0.547 120.619 119.950 0.203 0.000 2.579 195 F HA 0.277 4.813 4.527 0.014 0.000 0.324 195 F C 0.015 175.904 175.800 0.148 0.000 1.058 195 F CA -1.307 56.800 58.000 0.178 0.000 0.944 195 F CB 1.101 40.226 39.000 0.209 0.000 1.245 195 F HN -0.261 nan 8.300 nan 0.000 0.477 196 D N 2.271 122.867 120.400 0.327 0.000 2.455 196 D HA 0.134 4.782 4.640 0.014 0.000 0.234 196 D C -0.846 175.578 176.300 0.205 0.000 1.224 196 D CA 0.383 54.504 54.000 0.201 0.000 0.999 196 D CB -0.120 40.774 40.800 0.156 0.000 1.072 196 D HN 0.473 nan 8.370 nan 0.000 0.514 197 Q N 1.919 121.835 119.800 0.193 0.000 2.423 197 Q HA 0.320 4.668 4.340 0.014 0.000 0.278 197 Q C 0.164 176.178 176.000 0.022 0.000 1.097 197 Q CA -1.085 54.805 55.803 0.145 0.000 0.809 197 Q CB 1.962 30.875 28.738 0.293 0.000 1.391 197 Q HN 0.029 nan 8.270 nan 0.000 0.428 198 K N -0.038 120.301 120.400 -0.103 0.000 3.020 198 K HA -0.270 4.059 4.320 0.014 0.000 0.266 198 K C 0.572 177.134 176.600 -0.064 0.000 1.067 198 K CA 1.187 57.387 56.287 -0.144 0.000 0.780 198 K CB -1.776 30.613 32.500 -0.186 0.000 1.220 198 K HN 1.219 nan 8.250 nan 0.000 0.483 199 G N -1.486 107.297 108.800 -0.028 0.000 2.176 199 G HA2 -0.288 3.680 3.960 0.014 0.000 0.232 199 G HA3 -0.288 3.680 3.960 0.014 0.000 0.232 199 G C 0.129 175.023 174.900 -0.010 0.000 0.986 199 G CA 0.933 46.025 45.100 -0.014 0.000 0.643 199 G HN 0.797 nan 8.290 nan 0.000 0.522 200 T N -1.792 112.761 114.554 -0.002 0.000 2.883 200 T HA 0.585 4.943 4.350 0.014 0.000 0.301 200 T C 1.135 175.857 174.700 0.037 0.000 1.158 200 T CA 0.442 62.538 62.100 -0.006 0.000 1.007 200 T CB 1.933 70.772 68.868 -0.049 0.000 1.186 200 T HN 0.469 nan 8.240 nan 0.000 0.499 201 V N 2.588 122.524 119.914 0.036 0.000 2.500 201 V HA 0.177 4.306 4.120 0.014 0.000 0.243 201 V C 1.510 177.640 176.094 0.061 0.000 1.039 201 V CA 1.044 63.384 62.300 0.067 0.000 1.053 201 V CB -0.561 31.292 31.823 0.050 0.000 0.695 201 V HN 0.822 nan 8.190 nan 0.000 0.463 202 R N 1.497 122.009 120.500 0.021 0.000 2.560 202 R HA 0.359 4.707 4.340 0.014 0.000 0.270 202 R C 0.425 176.714 176.300 -0.018 0.000 1.074 202 R CA 0.178 56.286 56.100 0.013 0.000 1.140 202 R CB 0.385 30.664 30.300 -0.036 0.000 1.073 202 R HN 0.327 nan 8.270 nan 0.000 0.527 203 T N -1.728 112.820 114.554 -0.010 0.000 2.793 203 T HA 0.086 4.444 4.350 0.014 0.000 0.299 203 T C 1.128 175.635 174.700 -0.322 0.000 1.038 203 T CA -0.406 61.635 62.100 -0.100 0.000 0.948 203 T CB 0.785 69.667 68.868 0.023 0.000 1.231 203 T HN 0.808 nan 8.240 nan 0.000 0.538 204 K N -0.700 119.357 120.400 -0.572 0.000 2.147 204 K HA -0.121 4.207 4.320 0.014 0.000 0.205 204 K C 1.679 177.727 176.600 -0.920 0.000 1.049 204 K CA 1.399 57.190 56.287 -0.825 0.000 0.936 204 K CB -0.398 31.449 32.500 -1.089 0.000 0.722 204 K HN 0.759 nan 8.250 nan 0.000 0.446 205 Y N -0.498 119.415 120.300 -0.645 0.000 2.490 205 Y HA 0.221 4.780 4.550 0.014 0.000 0.285 205 Y C 1.226 176.403 175.900 -1.205 0.000 1.117 205 Y CA 0.079 57.496 58.100 -1.138 0.000 1.262 205 Y CB 0.994 38.324 38.460 -1.883 0.000 1.043 205 Y HN 0.305 nan 8.280 nan 0.000 0.553 206 G N -0.278 108.189 108.800 -0.555 0.000 2.340 206 G HA2 0.130 4.098 3.960 0.014 0.000 0.282 206 G HA3 0.130 4.098 3.960 0.014 0.000 0.282 206 G C -0.764 174.252 174.900 0.194 0.000 1.312 206 G CA -0.600 44.410 45.100 -0.152 0.000 0.942 206 G HN 0.096 nan 8.290 nan 0.000 0.495 207 T N -1.486 113.231 114.554 0.271 0.000 2.862 207 T HA 0.555 4.913 4.350 0.014 0.000 0.276 207 T C 1.394 176.238 174.700 0.241 0.000 0.974 207 T CA 0.484 62.709 62.100 0.207 0.000 0.966 207 T CB 1.966 70.897 68.868 0.105 0.000 1.072 207 T HN 0.769 nan 8.240 nan 0.000 0.538 208 K N 0.489 120.969 120.400 0.134 0.000 2.026 208 K HA -0.075 4.253 4.320 0.014 0.000 0.208 208 K C 2.384 178.978 176.600 -0.011 0.000 1.048 208 K CA 1.590 57.914 56.287 0.061 0.000 0.929 208 K CB -1.185 31.356 32.500 0.067 0.000 0.713 208 K HN 0.798 nan 8.250 nan 0.000 0.439 209 G N 1.359 110.166 108.800 0.011 0.000 2.586 209 G HA2 -0.333 3.635 3.960 0.014 0.000 0.218 209 G HA3 -0.333 3.635 3.960 0.014 0.000 0.218 209 G C 1.163 176.048 174.900 -0.024 0.000 1.216 209 G CA 1.368 46.463 45.100 -0.007 0.000 0.786 209 G HN 0.483 nan 8.290 nan 0.000 0.583 210 E N -0.164 120.057 120.200 0.035 0.000 2.114 210 E HA -0.197 4.161 4.350 0.014 0.000 0.199 210 E C 2.397 178.958 176.600 -0.064 0.000 1.008 210 E CA 1.125 57.565 56.400 0.066 0.000 0.810 210 E CB -0.236 29.599 29.700 0.225 0.000 0.739 210 E HN 0.359 nan 8.360 nan 0.000 0.456 211 L N 1.553 122.622 121.223 -0.256 0.000 2.027 211 L HA -0.171 4.177 4.340 0.014 0.000 0.206 211 L C 1.964 178.537 176.870 -0.494 0.000 1.074 211 L CA 1.831 56.231 54.840 -0.732 0.000 0.745 211 L CB -0.290 41.263 42.059 -0.844 0.000 0.898 211 L HN 0.019 nan 8.230 nan 0.000 0.433 212 E N -0.128 119.882 120.200 -0.316 0.000 2.110 212 E HA -0.243 4.115 4.350 0.014 0.000 0.193 212 E C 1.900 178.359 176.600 -0.235 0.000 0.988 212 E CA 1.239 57.475 56.400 -0.274 0.000 0.804 212 E CB -0.562 29.033 29.700 -0.174 0.000 0.745 212 E HN 0.716 nan 8.360 nan 0.000 0.458 213 N N 1.883 120.478 118.700 -0.175 0.000 2.062 213 N HA -0.162 4.587 4.740 0.014 0.000 0.191 213 N C 1.982 177.398 175.510 -0.156 0.000 1.042 213 N CA 1.745 54.719 53.050 -0.127 0.000 0.845 213 N CB -0.319 38.128 38.487 -0.066 0.000 1.024 213 N HN 0.039 nan 8.380 nan 0.000 0.424 214 A N 1.790 124.506 122.820 -0.173 0.000 1.896 214 A HA -0.174 4.154 4.320 0.014 0.000 0.220 214 A C 2.578 179.977 177.584 -0.308 0.000 1.206 214 A CA 1.963 53.881 52.037 -0.198 0.000 0.647 214 A CB -1.100 17.783 19.000 -0.195 0.000 0.828 214 A HN 0.459 nan 8.150 nan 0.000 0.455 215 I N -0.142 120.163 120.570 -0.442 0.000 2.151 215 I HA -0.314 3.864 4.170 0.014 0.000 0.243 215 I C 2.001 177.824 176.117 -0.490 0.000 1.080 215 I CA 1.813 62.754 61.300 -0.599 0.000 1.339 215 I CB -0.599 36.989 38.000 -0.686 0.000 1.039 215 I HN 0.302 nan 8.210 nan 0.000 0.409 216 D N 1.056 121.291 120.400 -0.276 0.000 2.097 216 D HA -0.146 4.503 4.640 0.014 0.000 0.195 216 D C 2.289 178.527 176.300 -0.103 0.000 0.989 216 D CA 1.583 55.504 54.000 -0.132 0.000 0.827 216 D CB -0.399 40.346 40.800 -0.093 0.000 0.966 216 D HN 0.361 nan 8.370 nan 0.000 0.456 217 A N 0.756 123.506 122.820 -0.118 0.000 1.917 217 A HA -0.177 4.151 4.320 0.014 0.000 0.219 217 A C 2.383 179.916 177.584 -0.085 0.000 1.182 217 A CA 1.199 53.188 52.037 -0.080 0.000 0.633 217 A CB -0.864 18.093 19.000 -0.072 0.000 0.819 217 A HN 0.219 nan 8.150 nan 0.000 0.448 218 L N -2.033 119.092 121.223 -0.164 0.000 2.044 218 L HA -0.164 4.184 4.340 0.014 0.000 0.205 218 L C 2.570 179.374 176.870 -0.109 0.000 1.075 218 L CA 1.618 56.356 54.840 -0.170 0.000 0.747 218 L CB -0.728 41.164 42.059 -0.279 0.000 0.903 218 L HN 0.542 nan 8.230 nan 0.000 0.435 219 H N -1.002 117.988 119.070 -0.134 0.000 2.387 219 H HA -0.180 4.384 4.556 0.014 0.000 0.299 219 H C 2.101 177.378 175.328 -0.085 0.000 1.090 219 H CA 1.073 57.048 56.048 -0.121 0.000 1.332 219 H CB 0.098 29.777 29.762 -0.138 0.000 1.386 219 H HN 0.264 nan 8.280 nan 0.000 0.516 220 N N 1.243 119.973 118.700 0.050 0.000 2.132 220 N HA -0.171 4.577 4.740 0.014 0.000 0.191 220 N C 0.500 176.016 175.510 0.010 0.000 1.015 220 N CA 1.511 54.569 53.050 0.013 0.000 0.864 220 N CB -0.230 38.254 38.487 -0.005 0.000 1.006 220 N HN 0.394 nan 8.380 nan 0.000 0.430 221 N N 0.398 119.102 118.700 0.008 0.000 2.251 221 N HA 0.089 4.837 4.740 0.014 0.000 0.217 221 N C -1.005 174.512 175.510 0.011 0.000 1.124 221 N CA -0.104 52.953 53.050 0.011 0.000 0.843 221 N CB 0.459 38.955 38.487 0.015 0.000 1.024 221 N HN 0.049 nan 8.380 nan 0.000 0.501 222 D N 0.872 121.280 120.400 0.013 0.000 2.718 222 D HA -0.166 4.482 4.640 0.014 0.000 0.242 222 D C -0.825 175.470 176.300 -0.008 0.000 1.123 222 D CA 0.823 54.826 54.000 0.005 0.000 0.690 222 D CB -0.730 40.072 40.800 0.002 0.000 1.059 222 D HN 0.360 nan 8.370 nan 0.000 0.429 223 I N 0.769 121.331 120.570 -0.013 0.000 2.582 223 I HA 0.235 4.414 4.170 0.014 0.000 0.292 223 I C 0.360 176.415 176.117 -0.103 0.000 1.066 223 I CA -0.915 60.343 61.300 -0.070 0.000 1.053 223 I CB 1.923 39.879 38.000 -0.073 0.000 1.241 223 I HN -0.302 nan 8.210 nan 0.000 0.421 224 K N 4.724 124.995 120.400 -0.215 0.000 2.098 224 K HA 0.606 4.934 4.320 0.014 0.000 0.261 224 K C -0.788 175.498 176.600 -0.523 0.000 0.987 224 K CA -0.674 55.430 56.287 -0.305 0.000 0.916 224 K CB 2.054 34.326 32.500 -0.380 0.000 1.039 224 K HN 0.277 nan 8.250 nan 0.000 0.455 225 V N 3.220 122.880 119.914 -0.424 0.000 2.376 225 V HA 0.247 4.375 4.120 0.014 0.000 0.287 225 V C -1.149 174.947 176.094 0.003 0.000 1.015 225 V CA -1.000 61.106 62.300 -0.322 0.000 0.834 225 V CB 0.408 31.972 31.823 -0.432 0.000 1.001 225 V HN 0.472 nan 8.190 nan 0.000 0.428 226 Y N 3.666 124.039 120.300 0.122 0.000 2.334 226 Y HA 0.572 5.130 4.550 0.013 0.000 0.328 226 Y C -0.210 175.820 175.900 0.217 0.000 1.130 226 Y CA -1.967 56.218 58.100 0.142 0.000 1.163 226 Y CB 1.121 39.654 38.460 0.122 0.000 1.207 226 Y HN 0.601 nan 8.280 nan 0.000 0.471 227 F N 2.672 122.611 119.950 -0.019 0.000 2.404 227 F HA 0.269 4.804 4.527 0.014 0.000 0.339 227 F C 0.171 176.089 175.800 0.196 0.000 1.105 227 F CA -0.652 57.256 58.000 -0.153 0.000 1.087 227 F CB 0.801 39.313 39.000 -0.813 0.000 1.143 227 F HN 0.437 nan 8.300 nan 0.000 0.491 228 D N 5.419 125.990 120.400 0.286 0.000 2.468 228 D HA 0.245 4.893 4.640 0.014 0.000 0.218 228 D C -0.657 175.989 176.300 0.576 0.000 1.155 228 D CA -0.047 54.209 54.000 0.427 0.000 0.924 228 D CB 0.706 41.756 40.800 0.417 0.000 1.029 228 D HN 0.590 nan 8.370 nan 0.000 0.515 229 A N 3.728 126.986 122.820 0.730 0.000 2.350 229 A HA 0.336 4.664 4.320 0.014 0.000 0.293 229 A C 0.055 177.805 177.584 0.278 0.000 1.231 229 A CA -0.488 51.928 52.037 0.632 0.000 0.883 229 A CB 0.421 19.789 19.000 0.613 0.000 1.133 229 A HN 0.355 nan 8.150 nan 0.000 0.533 230 V N 5.624 125.641 119.914 0.171 0.000 2.270 230 V HA 0.120 4.249 4.120 0.014 0.000 0.263 230 V C 0.745 176.754 176.094 -0.141 0.000 1.066 230 V CA 0.178 62.517 62.300 0.064 0.000 0.857 230 V CB 0.289 32.173 31.823 0.101 0.000 1.099 230 V HN 0.890 nan 8.190 nan 0.000 0.476 231 L N 2.812 123.953 121.223 -0.135 0.000 2.640 231 L HA 0.177 4.525 4.340 0.014 0.000 0.230 231 L C 2.047 178.918 176.870 0.002 0.000 1.123 231 L CA 0.187 54.941 54.840 -0.143 0.000 0.900 231 L CB -0.231 41.690 42.059 -0.231 0.000 1.146 231 L HN 0.623 nan 8.230 nan 0.000 0.484 232 N N 0.263 118.923 118.700 -0.067 0.000 2.135 232 N HA -0.105 4.643 4.740 0.014 0.000 0.186 232 N C 0.712 176.263 175.510 0.068 0.000 1.027 232 N CA 1.041 54.134 53.050 0.070 0.000 0.849 232 N CB 0.277 38.843 38.487 0.131 0.000 1.002 232 N HN 0.439 nan 8.380 nan 0.000 0.425 233 H N -3.045 116.052 119.070 0.046 0.000 2.960 233 H HA 0.628 5.192 4.556 0.014 0.000 0.303 233 H C -0.762 174.531 175.328 -0.059 0.000 1.412 233 H CA -0.996 55.060 56.048 0.012 0.000 1.227 233 H CB 0.938 30.682 29.762 -0.030 0.000 1.912 233 H HN -0.150 nan 8.280 nan 0.000 0.583 234 R N 0.357 120.907 120.500 0.084 0.000 2.771 234 R HA 0.576 4.925 4.340 0.014 0.000 0.274 234 R C -0.855 175.556 176.300 0.185 0.000 0.987 234 R CA -0.890 55.183 56.100 -0.045 0.000 0.908 234 R CB 2.599 32.508 30.300 -0.652 0.000 1.213 234 R HN 0.768 nan 8.270 nan 0.000 0.468 235 M N -0.806 118.997 119.600 0.339 0.000 2.531 235 M HA 0.423 4.912 4.480 0.014 0.000 0.286 235 M C 0.213 176.797 176.300 0.473 0.000 1.232 235 M CA -0.200 55.306 55.300 0.344 0.000 0.877 235 M CB 2.712 35.431 32.600 0.198 0.000 1.726 235 M HN 0.781 nan 8.290 nan 0.000 0.463 236 G N 0.867 109.812 108.800 0.242 0.000 2.130 236 G HA2 -0.025 3.944 3.960 0.014 0.000 0.216 236 G HA3 -0.025 3.944 3.960 0.014 0.000 0.216 236 G C 0.111 175.019 174.900 0.013 0.000 0.999 236 G CA -0.111 45.060 45.100 0.119 0.000 0.686 236 G HN 1.216 nan 8.290 nan 0.000 0.515 237 A N -0.031 122.597 122.820 -0.321 0.000 2.624 237 A HA 0.320 4.648 4.320 0.014 0.000 0.231 237 A C 1.427 178.862 177.584 -0.249 0.000 1.034 237 A CA 1.293 52.798 52.037 -0.886 0.000 0.754 237 A CB 0.291 19.059 19.000 -0.386 0.000 0.953 237 A HN 0.351 nan 8.150 nan 0.000 0.509 238 D N -0.322 119.908 120.400 -0.284 0.000 2.183 238 D HA 0.077 4.725 4.640 0.014 0.000 0.203 238 D C 0.272 176.716 176.300 0.240 0.000 0.969 238 D CA 2.216 56.250 54.000 0.055 0.000 0.842 238 D CB -0.025 40.847 40.800 0.120 0.000 0.957 238 D HN 0.750 nan 8.370 nan 0.000 0.484 239 Y N -1.758 118.552 120.300 0.017 0.000 2.638 239 Y HA 0.636 5.194 4.550 0.014 0.000 0.335 239 Y C -1.408 174.261 175.900 -0.385 0.000 1.155 239 Y CA -1.785 56.251 58.100 -0.108 0.000 1.046 239 Y CB 0.954 39.339 38.460 -0.126 0.000 1.303 239 Y HN -0.162 nan 8.280 nan 0.000 0.460 240 A N 1.315 123.688 122.820 -0.746 0.000 2.303 240 A HA 0.766 5.094 4.320 0.014 0.000 0.317 240 A C -0.833 176.536 177.584 -0.358 0.000 1.149 240 A CA -0.675 50.817 52.037 -0.908 0.000 0.822 240 A CB 0.887 18.922 19.000 -1.607 0.000 1.131 240 A HN 0.803 nan 8.150 nan 0.000 0.493 241 E N -0.134 119.881 120.200 -0.309 0.000 2.369 241 E HA 0.438 4.797 4.350 0.014 0.000 0.270 241 E C -1.143 175.326 176.600 -0.218 0.000 0.909 241 E CA -0.837 55.459 56.400 -0.173 0.000 0.775 241 E CB 2.012 31.655 29.700 -0.096 0.000 1.270 241 E HN 0.563 nan 8.360 nan 0.000 0.445 242 T N 1.378 115.843 114.554 -0.149 0.000 2.737 242 T HA 0.278 4.636 4.350 0.014 0.000 0.296 242 T C -0.389 174.295 174.700 -0.028 0.000 0.922 242 T CA -0.307 61.744 62.100 -0.081 0.000 1.079 242 T CB 0.138 68.975 68.868 -0.050 0.000 0.892 242 T HN 0.064 nan 8.240 nan 0.000 0.514 243 V N 4.772 124.681 119.914 -0.008 0.000 2.588 243 V HA 0.411 4.539 4.120 0.014 0.000 0.304 243 V C -0.237 175.891 176.094 0.057 0.000 1.042 243 V CA -1.078 61.164 62.300 -0.096 0.000 0.877 243 V CB 1.995 33.495 31.823 -0.539 0.000 0.996 243 V HN 0.712 nan 8.190 nan 0.000 0.425 244 L N 5.899 127.116 121.223 -0.010 0.000 2.349 244 L HA 0.492 4.840 4.340 0.014 0.000 0.275 244 L C -0.425 176.373 176.870 -0.119 0.000 1.115 244 L CA 0.474 55.133 54.840 -0.301 0.000 0.820 244 L CB 0.625 42.414 42.059 -0.450 0.000 1.135 244 L HN 0.516 nan 8.230 nan 0.000 0.445 245 L N 3.770 124.928 121.223 -0.108 0.000 2.334 245 L HA 0.325 4.673 4.340 0.014 0.000 0.277 245 L C 0.090 176.938 176.870 -0.037 0.000 1.075 245 L CA -0.720 54.128 54.840 0.012 0.000 0.804 245 L CB 1.306 43.394 42.059 0.048 0.000 1.174 245 L HN 0.660 nan 8.230 nan 0.000 0.438 246 D N 0.765 121.156 120.400 -0.015 0.000 2.400 246 D HA -0.054 4.595 4.640 0.014 0.000 0.238 246 D C 0.988 177.272 176.300 -0.028 0.000 1.157 246 D CA -0.077 53.901 54.000 -0.037 0.000 0.889 246 D CB 0.962 41.728 40.800 -0.058 0.000 1.199 246 D HN 0.435 nan 8.370 nan 0.000 0.436 247 E N 1.360 121.544 120.200 -0.027 0.000 2.268 247 E HA -0.137 4.222 4.350 0.014 0.000 0.195 247 E C 0.536 177.139 176.600 0.004 0.000 0.995 247 E CA 0.720 57.112 56.400 -0.014 0.000 0.836 247 E CB -0.372 29.320 29.700 -0.013 0.000 0.763 247 E HN 0.543 nan 8.360 nan 0.000 0.491 248 N N 0.020 118.722 118.700 0.003 0.000 2.320 248 N HA 0.002 4.751 4.740 0.014 0.000 0.237 248 N C 0.019 175.550 175.510 0.036 0.000 1.129 248 N CA -0.110 52.956 53.050 0.027 0.000 0.854 248 N CB 0.581 39.092 38.487 0.039 0.000 1.083 248 N HN -0.190 nan 8.380 nan 0.000 0.504 249 S N 0.358 116.073 115.700 0.025 0.000 2.576 249 S HA 0.110 4.589 4.470 0.014 0.000 0.276 249 S C 1.301 175.946 174.600 0.075 0.000 1.339 249 S CA -0.609 57.621 58.200 0.051 0.000 1.039 249 S CB 1.020 64.255 63.200 0.057 0.000 0.902 249 S HN 0.435 nan 8.310 nan 0.000 0.516 250 R N 1.628 122.183 120.500 0.091 0.000 2.115 250 R HA 0.021 4.369 4.340 0.014 0.000 0.226 250 R C -0.552 175.770 176.300 0.037 0.000 1.100 250 R CA 1.026 57.163 56.100 0.063 0.000 0.980 250 R CB 0.038 30.370 30.300 0.052 0.000 0.875 250 R HN 0.650 nan 8.270 nan 0.000 0.445 251 D N 0.033 120.458 120.400 0.043 0.000 2.481 251 D HA 0.181 4.830 4.640 0.014 0.000 0.244 251 D C -0.512 175.905 176.300 0.194 0.000 1.057 251 D CA -0.474 53.570 54.000 0.073 0.000 0.848 251 D CB 1.685 42.446 40.800 -0.064 0.000 1.388 251 D HN -0.106 nan 8.370 nan 0.000 0.475 252 K N -0.048 120.449 120.400 0.162 0.000 3.071 252 K HA -0.143 4.185 4.320 0.014 0.000 0.262 252 K C -2.301 174.344 176.600 0.075 0.000 0.977 252 K CA 0.131 56.492 56.287 0.123 0.000 0.721 252 K CB -1.301 31.285 32.500 0.142 0.000 1.293 252 K HN 0.339 nan 8.250 nan 0.000 0.475 253 P HA -0.089 nan 4.420 nan 0.000 0.262 253 P C 1.041 178.333 177.300 -0.013 0.000 1.182 253 P CA 1.649 64.764 63.100 0.024 0.000 0.761 253 P CB 0.871 32.585 31.700 0.023 0.000 0.795 254 G N 1.699 110.470 108.800 -0.049 0.000 2.184 254 G HA2 -0.230 3.738 3.960 0.014 0.000 0.264 254 G HA3 -0.230 3.738 3.960 0.014 0.000 0.264 254 G C 0.096 174.904 174.900 -0.153 0.000 0.975 254 G CA -0.145 44.895 45.100 -0.100 0.000 0.642 254 G HN 0.627 nan 8.290 nan 0.000 0.536 255 Q N -0.717 119.015 119.800 -0.112 0.000 2.230 255 Q HA 0.515 4.864 4.340 0.014 0.000 0.248 255 Q C -0.654 175.259 176.000 -0.145 0.000 0.915 255 Q CA -0.646 55.096 55.803 -0.100 0.000 0.900 255 Q CB 1.185 29.908 28.738 -0.026 0.000 1.229 255 Q HN 0.398 nan 8.270 nan 0.000 0.439 256 Y N 1.933 122.231 120.300 -0.004 0.000 2.365 256 Y HA 0.242 4.801 4.550 0.014 0.000 0.340 256 Y C 0.608 176.564 175.900 0.094 0.000 1.016 256 Y CA -0.493 57.624 58.100 0.029 0.000 1.196 256 Y CB 0.497 38.974 38.460 0.027 0.000 1.167 256 Y HN 0.455 nan 8.280 nan 0.000 0.509 257 I N 0.460 121.150 120.570 0.201 0.000 2.910 257 I HA 0.685 4.863 4.170 0.014 0.000 0.310 257 I C -0.974 175.073 176.117 -0.116 0.000 1.043 257 I CA -1.513 59.833 61.300 0.076 0.000 1.053 257 I CB 1.994 39.857 38.000 -0.229 0.000 1.242 257 I HN 0.235 nan 8.210 nan 0.000 0.452 258 K N 3.432 123.528 120.400 -0.507 0.000 2.281 258 K HA 0.728 5.056 4.320 0.014 0.000 0.272 258 K C -1.062 175.335 176.600 -0.338 0.000 1.048 258 K CA -0.262 55.630 56.287 -0.660 0.000 0.898 258 K CB 1.049 32.819 32.500 -1.215 0.000 1.128 258 K HN 0.821 nan 8.250 nan 0.000 0.460 259 A N 4.209 126.880 122.820 -0.249 0.000 2.331 259 A HA 0.461 4.790 4.320 0.014 0.000 0.320 259 A C -1.342 176.159 177.584 -0.139 0.000 1.138 259 A CA -0.772 51.251 52.037 -0.024 0.000 0.790 259 A CB 0.317 19.402 19.000 0.143 0.000 1.206 259 A HN 0.822 nan 8.150 nan 0.000 0.470 260 W N 2.608 123.944 121.300 0.060 0.000 2.290 260 W HA 0.357 5.025 4.660 0.014 0.000 0.408 260 W C 0.831 177.331 176.519 -0.032 0.000 0.966 260 W CA 0.572 57.899 57.345 -0.030 0.000 1.579 260 W CB 0.595 30.047 29.460 -0.013 0.000 1.662 260 W HN 0.787 nan 8.180 nan 0.000 0.341 261 T N -1.315 113.273 114.554 0.058 0.000 3.087 261 T HA 0.252 4.611 4.350 0.014 0.000 0.283 261 T C 0.632 175.486 174.700 0.257 0.000 0.956 261 T CA -0.270 62.002 62.100 0.285 0.000 0.894 261 T CB 0.268 69.333 68.868 0.330 0.000 1.160 261 T HN 0.223 nan 8.240 nan 0.000 0.532 262 G N 1.302 109.847 108.800 -0.426 0.000 2.428 262 G HA2 0.565 4.533 3.960 0.014 0.000 0.320 262 G HA3 0.565 4.533 3.960 0.014 0.000 0.320 262 G C -1.135 173.279 174.900 -0.811 0.000 1.098 262 G CA -0.520 43.969 45.100 -1.017 0.000 0.984 262 G HN 0.313 nan 8.290 nan 0.000 0.444 263 F N 2.343 122.108 119.950 -0.308 0.000 2.382 263 F HA 0.261 4.797 4.527 0.014 0.000 0.361 263 F C 0.691 176.104 175.800 -0.646 0.000 1.109 263 F CA -1.398 56.319 58.000 -0.471 0.000 1.031 263 F CB 1.964 40.584 39.000 -0.633 0.000 1.234 263 F HN 0.518 nan 8.300 nan 0.000 0.445 264 N N 1.578 120.084 118.700 -0.323 0.000 2.184 264 N HA 0.092 4.840 4.740 0.014 0.000 0.206 264 N C -0.099 175.369 175.510 -0.071 0.000 1.151 264 N CA -0.488 52.446 53.050 -0.194 0.000 0.878 264 N CB -0.543 37.972 38.487 0.046 0.000 1.014 264 N HN 0.438 nan 8.380 nan 0.000 0.512 265 F N -0.023 120.057 119.950 0.218 0.000 2.667 265 F HA -0.144 4.391 4.527 0.014 0.000 0.250 265 F C -1.417 174.466 175.800 0.138 0.000 1.029 265 F CA -0.364 57.764 58.000 0.213 0.000 0.944 265 F CB -1.337 37.723 39.000 0.100 0.000 0.994 265 F HN 0.137 nan 8.300 nan 0.000 0.842 266 P HA -0.089 nan 4.420 nan 0.000 0.218 266 P C 1.882 179.259 177.300 0.128 0.000 1.152 266 P CA 1.794 64.990 63.100 0.161 0.000 0.826 266 P CB 0.021 31.802 31.700 0.134 0.000 0.790 267 G N 0.206 109.110 108.800 0.172 0.000 2.479 267 G HA2 -0.258 3.710 3.960 0.014 0.000 0.220 267 G HA3 -0.258 3.710 3.960 0.014 0.000 0.220 267 G C 1.828 176.765 174.900 0.061 0.000 1.115 267 G CA 0.593 45.795 45.100 0.170 0.000 0.757 267 G HN 0.305 nan 8.290 nan 0.000 0.560 268 R N -0.353 120.070 120.500 -0.128 0.000 2.156 268 R HA 0.057 4.405 4.340 0.014 0.000 0.207 268 R C 1.037 177.063 176.300 -0.456 0.000 1.040 268 R CA 0.423 56.069 56.100 -0.755 0.000 1.013 268 R CB -0.068 29.826 30.300 -0.675 0.000 0.931 268 R HN 0.120 nan 8.270 nan 0.000 0.465 269 N N 0.193 118.806 118.700 -0.146 0.000 2.727 269 N HA -0.177 4.572 4.740 0.014 0.000 0.249 269 N C 0.149 175.596 175.510 -0.104 0.000 1.048 269 N CA 1.311 54.317 53.050 -0.073 0.000 0.714 269 N CB -1.232 37.235 38.487 -0.034 0.000 0.959 269 N HN 0.711 nan 8.380 nan 0.000 0.544 270 G N -0.616 108.112 108.800 -0.121 0.000 2.157 270 G HA2 -0.317 3.651 3.960 0.014 0.000 0.248 270 G HA3 -0.317 3.651 3.960 0.014 0.000 0.248 270 G C -0.122 174.654 174.900 -0.206 0.000 0.979 270 G CA 0.559 45.586 45.100 -0.121 0.000 0.650 270 G HN 0.624 nan 8.290 nan 0.000 0.529 271 E N -0.644 119.387 120.200 -0.281 0.000 2.373 271 E HA 0.442 4.800 4.350 0.014 0.000 0.267 271 E C 1.245 177.583 176.600 -0.436 0.000 1.032 271 E CA 0.006 56.177 56.400 -0.382 0.000 0.889 271 E CB 0.217 29.690 29.700 -0.379 0.000 0.984 271 E HN 0.504 nan 8.360 nan 0.000 0.425 272 Y N 0.121 120.260 120.300 -0.268 0.000 2.884 272 Y HA -0.402 4.156 4.550 0.014 0.000 0.483 272 Y C 0.560 175.930 175.900 -0.884 0.000 1.209 272 Y CA 1.238 58.999 58.100 -0.565 0.000 2.681 272 Y CB -1.249 36.746 38.460 -0.774 0.000 0.894 272 Y HN 0.446 nan 8.280 nan 0.000 0.529 273 S N 0.291 115.531 115.700 -0.767 0.000 2.603 273 S HA 0.461 4.939 4.470 0.014 0.000 0.274 273 S C -0.352 174.088 174.600 -0.268 0.000 1.168 273 S CA -0.247 57.574 58.200 -0.631 0.000 0.963 273 S CB 1.065 63.600 63.200 -1.109 0.000 1.078 273 S HN 0.448 nan 8.310 nan 0.000 0.477 274 N N 3.564 122.205 118.700 -0.098 0.000 2.295 274 N HA 0.173 4.921 4.740 0.014 0.000 0.221 274 N C -0.170 175.397 175.510 0.095 0.000 1.129 274 N CA -0.604 52.443 53.050 -0.006 0.000 0.836 274 N CB 0.064 38.538 38.487 -0.023 0.000 1.040 274 N HN 0.485 nan 8.380 nan 0.000 0.494 275 F N 2.688 122.636 119.950 -0.002 0.000 2.484 275 F HA 0.183 4.719 4.527 0.014 0.000 0.360 275 F C 0.431 176.329 175.800 0.164 0.000 1.101 275 F CA -0.122 57.895 58.000 0.028 0.000 1.251 275 F CB 0.785 39.797 39.000 0.020 0.000 1.132 275 F HN 0.102 nan 8.300 nan 0.000 0.570 276 T N 1.631 115.809 114.554 -0.626 0.000 2.924 276 T HA 0.505 4.864 4.350 0.014 0.000 0.291 276 T C -1.375 172.855 174.700 -0.783 0.000 1.045 276 T CA -0.761 61.103 62.100 -0.393 0.000 1.015 276 T CB 1.147 69.911 68.868 -0.174 0.000 1.103 276 T HN 0.541 nan 8.240 nan 0.000 0.496 277 W N 2.472 123.509 121.300 -0.438 0.000 2.606 277 W HA 0.655 5.324 4.660 0.014 0.000 0.332 277 W C 0.214 176.671 176.519 -0.104 0.000 1.052 277 W CA -0.325 56.841 57.345 -0.298 0.000 1.223 277 W CB 1.376 30.763 29.460 -0.121 0.000 1.383 277 W HN 1.075 nan 8.180 nan 0.000 0.524 278 N N -0.796 117.952 118.700 0.080 0.000 3.278 278 N HA 0.469 5.217 4.740 0.014 0.000 0.307 278 N C 0.942 176.561 175.510 0.182 0.000 1.551 278 N CA -0.308 52.817 53.050 0.125 0.000 0.794 278 N CB -0.010 38.502 38.487 0.041 0.000 1.770 278 N HN 0.402 nan 8.380 nan 0.000 0.612 279 G N -0.641 108.236 108.800 0.128 0.000 2.469 279 G HA2 -0.273 3.696 3.960 0.014 0.000 0.220 279 G HA3 -0.273 3.696 3.960 0.014 0.000 0.220 279 G C 0.861 175.819 174.900 0.097 0.000 1.136 279 G CA 0.740 45.897 45.100 0.095 0.000 0.759 279 G HN 0.534 nan 8.290 nan 0.000 0.562 280 Q N -0.476 119.323 119.800 -0.002 0.000 2.500 280 Q HA -0.008 4.340 4.340 0.014 0.000 0.213 280 Q C 2.213 178.165 176.000 -0.079 0.000 0.974 280 Q CA 0.437 56.224 55.803 -0.027 0.000 0.918 280 Q CB -0.313 28.391 28.738 -0.057 0.000 0.980 280 Q HN 0.570 nan 8.270 nan 0.000 0.505 281 C N -0.371 118.816 119.300 -0.189 0.000 2.697 281 C HA 0.258 4.727 4.460 0.014 0.000 0.267 281 C C 0.555 175.255 174.990 -0.482 0.000 1.278 281 C CA -0.351 58.403 59.018 -0.441 0.000 1.708 281 C CB -0.958 26.367 27.740 -0.690 0.000 1.860 281 C HN 0.138 nan 8.230 nan 0.000 0.589 282 F N 0.121 120.201 119.950 0.217 0.000 2.588 282 F HA 0.345 4.880 4.527 0.014 0.000 0.314 282 F C 0.766 176.714 175.800 0.247 0.000 1.069 282 F CA -0.767 57.388 58.000 0.258 0.000 0.931 282 F CB 0.993 40.241 39.000 0.413 0.000 1.260 282 F HN -0.185 nan 8.300 nan 0.000 0.465 283 D N 0.631 121.199 120.400 0.280 0.000 2.240 283 D HA 0.274 4.922 4.640 0.014 0.000 0.206 283 D C 0.839 176.876 176.300 -0.438 0.000 0.963 283 D CA 0.942 54.929 54.000 -0.022 0.000 0.863 283 D CB 0.662 41.458 40.800 -0.006 0.000 0.973 283 D HN 0.717 nan 8.370 nan 0.000 0.501 284 G N -1.562 107.003 108.800 -0.391 0.000 2.427 284 G HA2 0.412 4.381 3.960 0.014 0.000 0.306 284 G HA3 0.412 4.381 3.960 0.014 0.000 0.306 284 G C -1.204 173.465 174.900 -0.384 0.000 1.280 284 G CA -0.082 44.371 45.100 -1.079 0.000 0.837 284 G HN 0.014 nan 8.290 nan 0.000 0.482 285 T N -1.620 112.773 114.554 -0.267 0.000 2.681 285 T HA 0.529 4.887 4.350 0.014 0.000 0.296 285 T C -1.172 173.586 174.700 0.097 0.000 1.157 285 T CA 0.546 62.719 62.100 0.122 0.000 1.025 285 T CB 1.819 70.850 68.868 0.271 0.000 1.441 285 T HN 0.813 nan 8.240 nan 0.000 0.504 286 D N -0.121 120.462 120.400 0.306 0.000 2.599 286 D HA 0.200 4.849 4.640 0.014 0.000 0.249 286 D C -0.257 176.341 176.300 0.496 0.000 1.313 286 D CA -0.328 53.817 54.000 0.242 0.000 0.815 286 D CB 0.160 41.134 40.800 0.290 0.000 1.077 286 D HN 0.407 nan 8.370 nan 0.000 0.492 287 W N 1.367 122.910 121.300 0.405 0.000 3.425 287 W HA 0.399 5.067 4.660 0.014 0.000 0.318 287 W C -2.190 174.488 176.519 0.265 0.000 1.201 287 W CA -0.695 56.859 57.345 0.348 0.000 1.212 287 W CB 2.197 31.794 29.460 0.228 0.000 1.355 287 W HN -0.181 nan 8.180 nan 0.000 0.515 288 D N 2.938 123.051 120.400 -0.478 0.000 2.492 288 D HA 0.166 4.815 4.640 0.014 0.000 0.248 288 D C -0.090 175.830 176.300 -0.634 0.000 1.101 288 D CA -0.087 53.627 54.000 -0.476 0.000 0.840 288 D CB 1.713 42.203 40.800 -0.517 0.000 1.209 288 D HN 0.253 nan 8.370 nan 0.000 0.524 289 D N 2.123 122.371 120.400 -0.253 0.000 2.340 289 D HA 0.055 4.703 4.640 0.014 0.000 0.220 289 D C 0.818 177.107 176.300 -0.017 0.000 1.039 289 D CA 0.458 54.469 54.000 0.019 0.000 0.866 289 D CB 0.158 41.148 40.800 0.316 0.000 0.913 289 D HN 0.528 nan 8.370 nan 0.000 0.523 290 Y N -0.136 120.111 120.300 -0.088 0.000 2.177 290 Y HA -0.105 4.453 4.550 0.014 0.000 0.291 290 Y C 2.692 178.540 175.900 -0.088 0.000 1.117 290 Y CA 0.973 59.034 58.100 -0.066 0.000 1.114 290 Y CB -0.114 38.299 38.460 -0.078 0.000 1.017 290 Y HN 0.007 nan 8.280 nan 0.000 0.505 291 S N -0.887 114.826 115.700 0.023 0.000 2.496 291 S HA -0.013 4.465 4.470 0.014 0.000 0.224 291 S C 0.535 175.050 174.600 -0.143 0.000 0.996 291 S CA 0.151 58.320 58.200 -0.052 0.000 0.927 291 S CB -0.064 63.096 63.200 -0.067 0.000 0.774 291 S HN 0.222 nan 8.310 nan 0.000 0.524 292 K N 1.121 121.327 120.400 -0.324 0.000 3.239 292 K HA -0.125 4.204 4.320 0.014 0.000 0.270 292 K C -1.040 175.118 176.600 -0.737 0.000 1.049 292 K CA 0.877 56.855 56.287 -0.515 0.000 0.769 292 K CB -2.314 30.216 32.500 0.051 0.000 1.305 292 K HN 0.779 nan 8.250 nan 0.000 0.469 293 E N -0.086 119.556 120.200 -0.929 0.000 2.263 293 E HA 0.304 4.662 4.350 0.014 0.000 0.268 293 E C -0.548 175.946 176.600 -0.176 0.000 0.884 293 E CA -0.601 55.578 56.400 -0.368 0.000 0.766 293 E CB 1.469 31.111 29.700 -0.096 0.000 1.196 293 E HN 0.204 nan 8.360 nan 0.000 0.416 294 S N 1.011 116.790 115.700 0.132 0.000 2.614 294 S HA 0.820 5.298 4.470 0.014 0.000 0.265 294 S C 0.413 175.010 174.600 -0.005 0.000 1.303 294 S CA -0.182 58.167 58.200 0.249 0.000 1.000 294 S CB 1.482 64.860 63.200 0.297 0.000 0.935 294 S HN 0.771 nan 8.310 nan 0.000 0.551 295 G N 0.173 108.807 108.800 -0.276 0.000 2.356 295 G HA2 0.434 4.402 3.960 0.014 0.000 0.281 295 G HA3 0.434 4.402 3.960 0.014 0.000 0.281 295 G C -1.912 172.533 174.900 -0.759 0.000 1.246 295 G CA -0.872 43.882 45.100 -0.577 0.000 0.889 295 G HN 0.687 nan 8.290 nan 0.000 0.486 296 K N 0.468 120.380 120.400 -0.813 0.000 2.616 296 K HA 0.558 4.886 4.320 0.014 0.000 0.241 296 K C -1.781 174.559 176.600 -0.434 0.000 0.961 296 K CA -0.576 55.334 56.287 -0.629 0.000 0.942 296 K CB 0.868 33.141 32.500 -0.378 0.000 1.153 296 K HN 0.491 nan 8.250 nan 0.000 0.452 297 Y N 4.318 124.514 120.300 -0.173 0.000 2.402 297 Y HA 0.273 4.831 4.550 0.014 0.000 0.332 297 Y C -0.229 175.541 175.900 -0.216 0.000 0.960 297 Y CA -1.265 56.771 58.100 -0.107 0.000 1.228 297 Y CB 1.322 39.748 38.460 -0.057 0.000 1.120 297 Y HN 0.410 nan 8.280 nan 0.000 0.491 298 L N 4.544 125.739 121.223 -0.047 0.000 2.312 298 L HA 0.483 4.831 4.340 0.014 0.000 0.281 298 L C -1.006 175.783 176.870 -0.134 0.000 1.070 298 L CA -0.229 54.390 54.840 -0.368 0.000 0.805 298 L CB 0.196 41.976 42.059 -0.466 0.000 1.174 298 L HN 0.434 nan 8.230 nan 0.000 0.434 299 F N 2.079 121.923 119.950 -0.178 0.000 2.375 299 F HA 0.186 4.721 4.527 0.014 0.000 0.333 299 F C 0.695 176.422 175.800 -0.121 0.000 1.104 299 F CA -1.083 56.858 58.000 -0.098 0.000 1.149 299 F CB 0.932 39.909 39.000 -0.039 0.000 1.190 299 F HN 0.526 nan 8.300 nan 0.000 0.533 300 D N 2.053 122.513 120.400 0.100 0.000 2.533 300 D HA -0.040 4.608 4.640 0.014 0.000 0.236 300 D C 0.361 176.660 176.300 -0.001 0.000 1.137 300 D CA 1.092 55.095 54.000 0.004 0.000 0.867 300 D CB 0.327 41.106 40.800 -0.036 0.000 1.170 300 D HN 0.656 nan 8.370 nan 0.000 0.474 301 E N -0.412 119.773 120.200 -0.024 0.000 3.680 301 E HA -0.248 4.110 4.350 0.014 0.000 0.309 301 E C -0.185 176.394 176.600 -0.035 0.000 0.793 301 E CA 0.825 57.210 56.400 -0.025 0.000 1.083 301 E CB -0.405 29.285 29.700 -0.016 0.000 1.548 301 E HN 0.406 nan 8.360 nan 0.000 0.456 302 K N 0.884 121.253 120.400 -0.051 0.000 2.098 302 K HA 0.471 4.799 4.320 0.014 0.000 0.257 302 K C 0.219 176.710 176.600 -0.182 0.000 0.999 302 K CA -0.094 56.139 56.287 -0.091 0.000 0.924 302 K CB 1.625 34.076 32.500 -0.082 0.000 1.028 302 K HN 0.154 nan 8.250 nan 0.000 0.466 303 S N -0.467 115.132 115.700 -0.168 0.000 2.569 303 S HA 0.487 4.966 4.470 0.014 0.000 0.280 303 S C -0.876 173.655 174.600 -0.115 0.000 1.111 303 S CA -1.078 57.001 58.200 -0.201 0.000 0.887 303 S CB 0.652 63.824 63.200 -0.047 0.000 1.095 303 S HN 0.530 nan 8.310 nan 0.000 0.476 304 W N 1.641 122.947 121.300 0.011 0.000 2.170 304 W HA 0.242 4.911 4.660 0.015 0.000 0.342 304 W C 0.161 176.703 176.519 0.039 0.000 1.294 304 W CA -0.243 57.107 57.345 0.008 0.000 1.246 304 W CB 0.379 29.810 29.460 -0.048 0.000 1.156 304 W HN 0.570 nan 8.180 nan 0.000 0.572 305 D N 0.887 121.489 120.400 0.335 0.000 2.329 305 D HA 0.032 4.680 4.640 0.014 0.000 0.246 305 D C -0.287 176.164 176.300 0.251 0.000 1.111 305 D CA -0.249 53.882 54.000 0.218 0.000 0.941 305 D CB 0.442 41.340 40.800 0.163 0.000 1.169 305 D HN 0.116 nan 8.370 nan 0.000 0.441 306 W N 1.511 122.727 121.300 -0.140 0.000 2.381 306 W HA 0.193 4.861 4.660 0.014 0.000 0.321 306 W C 0.852 177.225 176.519 -0.243 0.000 1.407 306 W CA -0.544 56.648 57.345 -0.254 0.000 1.274 306 W CB -0.760 28.424 29.460 -0.459 0.000 1.310 306 W HN 0.099 nan 8.180 nan 0.000 0.551 307 T N -0.352 114.348 114.554 0.244 0.000 2.916 307 T HA 0.225 4.583 4.350 0.014 0.000 0.292 307 T C 0.518 175.574 174.700 0.594 0.000 1.064 307 T CA -0.681 61.671 62.100 0.421 0.000 1.011 307 T CB 1.695 70.697 68.868 0.223 0.000 1.152 307 T HN 0.334 nan 8.240 nan 0.000 0.510 308 Y N 2.291 122.880 120.300 0.482 0.000 2.040 308 Y HA -0.122 4.436 4.550 0.013 0.000 0.275 308 Y C 0.796 176.822 175.900 0.210 0.000 1.171 308 Y CA 1.777 60.054 58.100 0.295 0.000 1.123 308 Y CB -0.374 38.291 38.460 0.342 0.000 0.963 308 Y HN 0.609 nan 8.280 nan 0.000 0.493 309 N N -0.435 118.284 118.700 0.032 0.000 2.492 309 N HA -0.020 4.728 4.740 0.014 0.000 0.289 309 N C -0.735 174.826 175.510 0.087 0.000 1.133 309 N CA -0.508 52.511 53.050 -0.051 0.000 0.961 309 N CB 0.235 38.705 38.487 -0.028 0.000 1.186 309 N HN 0.412 nan 8.380 nan 0.000 0.493 310 W N 1.637 122.899 121.300 -0.062 0.000 2.264 310 W HA -0.078 4.590 4.660 0.013 0.000 0.331 310 W C 0.124 176.634 176.519 -0.016 0.000 1.364 310 W CA 0.797 58.127 57.345 -0.025 0.000 1.253 310 W CB 0.110 29.545 29.460 -0.042 0.000 1.215 310 W HN 0.734 nan 8.180 nan 0.000 0.561 311 D N 2.751 122.834 120.400 -0.529 0.000 2.870 311 D HA -0.241 4.407 4.640 0.014 0.000 0.228 311 D C 0.457 176.619 176.300 -0.231 0.000 1.147 311 D CA 1.438 55.205 54.000 -0.389 0.000 0.757 311 D CB -1.014 39.669 40.800 -0.195 0.000 1.091 311 D HN 0.671 nan 8.370 nan 0.000 0.429 312 E N -0.624 119.497 120.200 -0.131 0.000 2.451 312 E HA 0.022 4.380 4.350 0.014 0.000 0.194 312 E C 0.987 177.615 176.600 0.047 0.000 1.027 312 E CA -0.041 56.357 56.400 -0.004 0.000 0.914 312 E CB 0.374 30.081 29.700 0.012 0.000 1.054 312 E HN 0.317 nan 8.360 nan 0.000 0.461 313 D N -0.117 120.212 120.400 -0.118 0.000 2.123 313 D HA -0.162 4.487 4.640 0.014 0.000 0.200 313 D C -0.064 176.131 176.300 -0.175 0.000 0.976 313 D CA 0.669 54.645 54.000 -0.040 0.000 0.831 313 D CB 0.120 40.957 40.800 0.062 0.000 0.974 313 D HN 0.101 nan 8.370 nan 0.000 0.469 314 Y N 0.653 120.582 120.300 -0.619 0.000 2.402 314 Y HA 0.284 4.842 4.550 0.014 0.000 0.333 314 Y C 0.587 176.274 175.900 -0.356 0.000 1.076 314 Y CA -0.162 57.598 58.100 -0.567 0.000 1.299 314 Y CB 0.873 38.817 38.460 -0.861 0.000 1.197 314 Y HN -0.024 nan 8.280 nan 0.000 0.517 315 L N 5.637 126.200 121.223 -1.099 0.000 2.738 315 L HA 0.478 4.826 4.340 0.014 0.000 0.175 315 L C -0.524 175.816 176.870 -0.883 0.000 1.125 315 L CA 0.769 55.096 54.840 -0.854 0.000 0.857 315 L CB 0.286 41.878 42.059 -0.777 0.000 1.300 315 L HN 0.709 nan 8.230 nan 0.000 0.499 316 M N -2.330 116.706 119.600 -0.940 0.000 2.732 316 M HA 0.645 5.134 4.480 0.014 0.000 0.272 316 M C 0.002 176.069 176.300 -0.389 0.000 1.203 316 M CA -0.329 54.660 55.300 -0.517 0.000 0.841 316 M CB 1.160 33.526 32.600 -0.391 0.000 1.685 316 M HN 0.298 nan 8.290 nan 0.000 0.492 317 G N 0.653 109.400 108.800 -0.089 0.000 2.782 317 G HA2 0.282 4.250 3.960 0.014 0.000 0.228 317 G HA3 0.282 4.250 3.960 0.014 0.000 0.228 317 G C -0.464 174.513 174.900 0.128 0.000 1.372 317 G CA -0.307 44.786 45.100 -0.011 0.000 0.862 317 G HN 1.826 nan 8.290 nan 0.000 0.547 318 A N 0.138 122.972 122.820 0.024 0.000 2.444 318 A HA 0.548 4.877 4.320 0.014 0.000 0.273 318 A C 0.325 177.900 177.584 -0.015 0.000 1.136 318 A CA 0.976 52.906 52.037 -0.177 0.000 0.799 318 A CB 0.266 18.786 19.000 -0.800 0.000 1.081 318 A HN 1.130 nan 8.150 nan 0.000 0.509 319 D N 2.431 122.986 120.400 0.259 0.000 2.264 319 D HA 0.381 5.029 4.640 0.014 0.000 0.250 319 D C -0.053 176.545 176.300 0.497 0.000 1.113 319 D CA -0.099 54.124 54.000 0.372 0.000 0.871 319 D CB 1.003 42.116 40.800 0.522 0.000 1.167 319 D HN 0.276 nan 8.370 nan 0.000 0.447 320 V N 3.387 123.514 119.914 0.355 0.000 2.686 320 V HA 0.105 4.233 4.120 0.014 0.000 0.295 320 V C 0.276 176.317 176.094 -0.089 0.000 1.055 320 V CA -0.283 62.108 62.300 0.152 0.000 1.050 320 V CB 1.424 33.114 31.823 -0.223 0.000 0.984 320 V HN 0.616 nan 8.190 nan 0.000 0.482 321 D N 2.442 122.720 120.400 -0.204 0.000 2.456 321 D HA 0.203 4.851 4.640 0.014 0.000 0.219 321 D C 0.201 176.247 176.300 -0.423 0.000 1.126 321 D CA -0.124 53.761 54.000 -0.191 0.000 0.890 321 D CB 0.323 41.069 40.800 -0.089 0.000 1.025 321 D HN 0.511 nan 8.370 nan 0.000 0.511 322 Y N 1.584 121.801 120.300 -0.138 0.000 2.529 322 Y HA 0.079 4.637 4.550 0.014 0.000 0.290 322 Y C 1.650 177.412 175.900 -0.231 0.000 1.177 322 Y CA 0.171 58.083 58.100 -0.314 0.000 1.305 322 Y CB 0.380 38.596 38.460 -0.407 0.000 1.047 322 Y HN 0.444 nan 8.280 nan 0.000 0.522 323 E N -0.149 120.004 120.200 -0.079 0.000 2.371 323 E HA -0.097 4.261 4.350 0.014 0.000 0.194 323 E C 0.602 177.140 176.600 -0.103 0.000 1.012 323 E CA -0.064 56.281 56.400 -0.091 0.000 0.860 323 E CB 0.076 29.724 29.700 -0.087 0.000 0.811 323 E HN 0.166 nan 8.360 nan 0.000 0.502 324 N N 1.877 120.490 118.700 -0.146 0.000 2.405 324 N HA -0.060 4.689 4.740 0.014 0.000 0.260 324 N C 0.403 175.817 175.510 -0.160 0.000 1.152 324 N CA 0.412 53.368 53.050 -0.156 0.000 0.948 324 N CB 0.820 39.187 38.487 -0.200 0.000 1.111 324 N HN 0.103 nan 8.380 nan 0.000 0.485 325 E N 2.730 122.863 120.200 -0.111 0.000 2.110 325 E HA -0.175 4.183 4.350 0.014 0.000 0.193 325 E C 1.381 177.903 176.600 -0.129 0.000 0.988 325 E CA 1.354 57.700 56.400 -0.090 0.000 0.804 325 E CB 0.046 29.713 29.700 -0.055 0.000 0.745 325 E HN 0.777 nan 8.360 nan 0.000 0.458 326 A N 0.821 123.551 122.820 -0.151 0.000 1.930 326 A HA -0.126 4.203 4.320 0.014 0.000 0.217 326 A C 2.460 179.738 177.584 -0.510 0.000 1.175 326 A CA 1.027 52.933 52.037 -0.219 0.000 0.627 326 A CB -0.503 18.477 19.000 -0.033 0.000 0.815 326 A HN 0.106 nan 8.150 nan 0.000 0.443 327 V N -0.056 119.577 119.914 -0.469 0.000 2.358 327 V HA -0.303 3.825 4.120 0.014 0.000 0.246 327 V C 2.628 178.495 176.094 -0.378 0.000 1.047 327 V CA 2.173 64.088 62.300 -0.641 0.000 1.035 327 V CB -0.904 30.551 31.823 -0.613 0.000 0.658 327 V HN 0.634 nan 8.190 nan 0.000 0.452 328 Q N -0.013 119.648 119.800 -0.233 0.000 2.112 328 Q HA -0.245 4.103 4.340 0.014 0.000 0.206 328 Q C 2.192 178.258 176.000 0.110 0.000 0.987 328 Q CA 1.842 57.624 55.803 -0.035 0.000 0.858 328 Q CB -0.298 28.479 28.738 0.065 0.000 0.905 328 Q HN 0.622 nan 8.270 nan 0.000 0.420 329 N N 0.634 119.315 118.700 -0.032 0.000 2.142 329 N HA -0.142 4.606 4.740 0.014 0.000 0.186 329 N C 1.279 176.800 175.510 0.018 0.000 1.023 329 N CA 1.299 54.353 53.050 0.007 0.000 0.852 329 N CB -0.357 38.100 38.487 -0.049 0.000 0.998 329 N HN 0.229 nan 8.380 nan 0.000 0.424 330 D N 0.342 120.647 120.400 -0.158 0.000 2.097 330 D HA -0.071 4.577 4.640 0.014 0.000 0.195 330 D C 1.808 178.267 176.300 0.266 0.000 0.989 330 D CA 0.634 54.628 54.000 -0.010 0.000 0.827 330 D CB 0.073 40.657 40.800 -0.360 0.000 0.966 330 D HN -0.068 nan 8.370 nan 0.000 0.456 331 V N 0.816 120.874 119.914 0.240 0.000 2.594 331 V HA -0.185 3.944 4.120 0.014 0.000 0.253 331 V C 2.379 178.886 176.094 0.688 0.000 1.069 331 V CA 0.958 63.504 62.300 0.410 0.000 1.082 331 V CB -0.360 31.692 31.823 0.381 0.000 0.680 331 V HN 0.339 nan 8.190 nan 0.000 0.469 332 I N -0.114 120.800 120.570 0.573 0.000 2.286 332 I HA -0.168 4.010 4.170 0.014 0.000 0.245 332 I C 2.292 178.554 176.117 0.241 0.000 1.104 332 I CA 1.421 62.951 61.300 0.382 0.000 1.397 332 I CB -0.610 37.535 38.000 0.242 0.000 1.072 332 I HN 0.301 nan 8.210 nan 0.000 0.417 333 D N 0.354 120.931 120.400 0.294 0.000 2.104 333 D HA -0.252 4.397 4.640 0.014 0.000 0.194 333 D C 1.711 178.242 176.300 0.384 0.000 0.994 333 D CA 1.266 55.468 54.000 0.336 0.000 0.830 333 D CB -0.432 40.618 40.800 0.416 0.000 0.959 333 D HN 0.471 nan 8.370 nan 0.000 0.452 334 W N 1.758 123.081 121.300 0.037 0.000 2.338 334 W HA -0.108 4.560 4.660 0.013 0.000 0.304 334 W C 2.285 178.773 176.519 -0.053 0.000 1.212 334 W CA 2.307 59.340 57.345 -0.519 0.000 1.264 334 W CB -0.547 28.405 29.460 -0.847 0.000 1.142 334 W HN -0.021 nan 8.180 nan 0.000 0.512 335 G N -0.318 108.594 108.800 0.187 0.000 2.422 335 G HA2 -0.249 3.720 3.960 0.014 0.000 0.218 335 G HA3 -0.249 3.720 3.960 0.014 0.000 0.218 335 G C 1.342 176.155 174.900 -0.144 0.000 1.140 335 G CA 0.916 45.951 45.100 -0.108 0.000 0.775 335 G HN 0.422 nan 8.290 nan 0.000 0.545 336 Q N -1.184 118.579 119.800 -0.061 0.000 2.079 336 Q HA -0.113 4.235 4.340 0.014 0.000 0.200 336 Q C 2.129 178.168 176.000 0.065 0.000 0.974 336 Q CA 1.174 56.972 55.803 -0.008 0.000 0.840 336 Q CB -0.221 28.543 28.738 0.044 0.000 0.898 336 Q HN 0.660 nan 8.270 nan 0.000 0.430 337 W N 0.927 122.160 121.300 -0.112 0.000 2.358 337 W HA -0.205 4.463 4.660 0.014 0.000 0.303 337 W C 1.566 177.951 176.519 -0.223 0.000 1.208 337 W CA 1.012 58.300 57.345 -0.095 0.000 1.274 337 W CB -0.083 29.380 29.460 0.004 0.000 1.138 337 W HN 0.053 nan 8.180 nan 0.000 0.515 338 I N 0.476 120.833 120.570 -0.355 0.000 2.226 338 I HA -0.308 3.870 4.170 0.014 0.000 0.245 338 I C 2.188 178.130 176.117 -0.291 0.000 1.100 338 I CA 1.354 62.295 61.300 -0.598 0.000 1.374 338 I CB -1.425 35.946 38.000 -1.048 0.000 1.057 338 I HN 0.015 nan 8.210 nan 0.000 0.413 339 I N 0.835 121.290 120.570 -0.192 0.000 2.141 339 I HA -0.216 3.963 4.170 0.014 0.000 0.236 339 I C 2.030 178.090 176.117 -0.095 0.000 1.071 339 I CA 1.397 62.633 61.300 -0.106 0.000 1.345 339 I CB -1.361 36.605 38.000 -0.057 0.000 1.066 339 I HN 0.269 nan 8.210 nan 0.000 0.406 340 N N 0.945 119.599 118.700 -0.077 0.000 2.416 340 N HA -0.064 4.685 4.740 0.014 0.000 0.177 340 N C 1.418 176.883 175.510 -0.076 0.000 1.036 340 N CA 0.737 53.755 53.050 -0.054 0.000 0.901 340 N CB -0.127 38.356 38.487 -0.005 0.000 0.976 340 N HN 0.424 nan 8.380 nan 0.000 0.444 341 N N 0.171 118.781 118.700 -0.150 0.000 2.420 341 N HA 0.154 4.903 4.740 0.014 0.000 0.185 341 N C 1.085 176.402 175.510 -0.321 0.000 1.033 341 N CA 0.295 53.220 53.050 -0.208 0.000 0.879 341 N CB 0.265 38.598 38.487 -0.257 0.000 1.071 341 N HN 0.004 nan 8.380 nan 0.000 0.437 342 I N 0.746 121.029 120.570 -0.478 0.000 3.793 342 I HA 0.066 4.245 4.170 0.014 0.000 0.315 342 I C 0.049 176.002 176.117 -0.273 0.000 1.275 342 I CA 0.544 61.598 61.300 -0.410 0.000 1.214 342 I CB -1.131 36.568 38.000 -0.501 0.000 1.018 342 I HN 0.197 nan 8.210 nan 0.000 0.439 343 D N 0.585 120.874 120.400 -0.185 0.000 2.907 343 D HA -0.252 4.396 4.640 0.014 0.000 0.226 343 D C -0.036 176.203 176.300 -0.102 0.000 1.141 343 D CA 0.330 54.254 54.000 -0.126 0.000 0.779 343 D CB -1.361 39.372 40.800 -0.112 0.000 1.095 343 D HN 0.098 nan 8.370 nan 0.000 0.430 344 F N 0.240 120.067 119.950 -0.206 0.000 2.399 344 F HA 0.288 4.823 4.527 0.014 0.000 0.313 344 F C 2.114 177.820 175.800 -0.156 0.000 1.202 344 F CA 0.208 58.092 58.000 -0.194 0.000 1.192 344 F CB 0.455 39.277 39.000 -0.297 0.000 1.256 344 F HN -0.114 nan 8.300 nan 0.000 0.558 345 D N -0.093 120.389 120.400 0.136 0.000 2.441 345 D HA 0.281 4.930 4.640 0.014 0.000 0.210 345 D C 0.628 176.995 176.300 0.112 0.000 1.102 345 D CA 0.464 54.527 54.000 0.104 0.000 0.840 345 D CB 1.020 41.893 40.800 0.121 0.000 0.990 345 D HN 0.631 nan 8.370 nan 0.000 0.505 346 G N 0.150 108.958 108.800 0.014 0.000 2.320 346 G HA2 0.418 4.386 3.960 0.014 0.000 0.296 346 G HA3 0.418 4.386 3.960 0.014 0.000 0.296 346 G C -2.041 172.611 174.900 -0.414 0.000 1.306 346 G CA -0.878 44.089 45.100 -0.222 0.000 0.836 346 G HN -0.021 nan 8.290 nan 0.000 0.517 347 F N -0.192 119.732 119.950 -0.043 0.000 2.578 347 F HA 0.688 5.223 4.527 0.014 0.000 0.311 347 F C 0.297 176.164 175.800 0.111 0.000 1.094 347 F CA -0.807 57.294 58.000 0.169 0.000 0.923 347 F CB 2.624 41.841 39.000 0.361 0.000 1.230 347 F HN 0.551 nan 8.300 nan 0.000 0.450 348 R N 3.447 124.124 120.500 0.294 0.000 2.265 348 R HA 0.644 4.992 4.340 0.014 0.000 0.319 348 R C -1.670 174.788 176.300 0.264 0.000 1.006 348 R CA -0.441 55.726 56.100 0.111 0.000 0.880 348 R CB 0.669 30.840 30.300 -0.215 0.000 1.077 348 R HN 0.806 nan 8.270 nan 0.000 0.454 349 L N 4.373 125.711 121.223 0.192 0.000 2.259 349 L HA 0.243 4.591 4.340 0.014 0.000 0.288 349 L C -0.142 176.832 176.870 0.174 0.000 1.051 349 L CA -0.694 54.239 54.840 0.156 0.000 0.824 349 L CB 1.110 43.211 42.059 0.070 0.000 1.206 349 L HN 0.707 nan 8.230 nan 0.000 0.429 350 D N 3.479 124.011 120.400 0.219 0.000 2.389 350 D HA 0.367 5.016 4.640 0.014 0.000 0.247 350 D C 0.805 177.224 176.300 0.199 0.000 1.128 350 D CA 0.524 54.685 54.000 0.269 0.000 0.884 350 D CB 1.065 42.083 40.800 0.363 0.000 1.194 350 D HN 0.728 nan 8.370 nan 0.000 0.441 351 A N 2.631 125.573 122.820 0.203 0.000 2.791 351 A HA -0.194 4.135 4.320 0.014 0.000 0.292 351 A C 1.514 179.196 177.584 0.163 0.000 1.487 351 A CA 0.750 52.921 52.037 0.223 0.000 0.760 351 A CB -2.007 17.147 19.000 0.256 0.000 1.031 351 A HN 0.633 nan 8.150 nan 0.000 0.503 352 V N 0.258 120.227 119.914 0.092 0.000 2.913 352 V HA -0.200 3.929 4.120 0.014 0.000 0.260 352 V C 2.348 178.493 176.094 0.086 0.000 1.098 352 V CA 2.692 65.054 62.300 0.103 0.000 1.121 352 V CB -0.397 31.517 31.823 0.151 0.000 0.714 352 V HN 0.911 nan 8.190 nan 0.000 0.487 353 K N -1.638 118.668 120.400 -0.156 0.000 2.418 353 K HA -0.047 4.281 4.320 0.014 0.000 0.195 353 K C 1.178 177.639 176.600 -0.232 0.000 1.035 353 K CA 0.896 57.029 56.287 -0.256 0.000 1.003 353 K CB -0.231 31.904 32.500 -0.609 0.000 0.793 353 K HN 0.581 nan 8.250 nan 0.000 0.494 354 H N 0.789 119.889 119.070 0.050 0.000 2.567 354 H HA 0.306 4.870 4.556 0.014 0.000 0.294 354 H C -0.259 175.126 175.328 0.096 0.000 1.050 354 H CA 0.024 56.097 56.048 0.042 0.000 1.168 354 H CB -0.037 29.710 29.762 -0.025 0.000 1.422 354 H HN 0.144 nan 8.280 nan 0.000 0.562 355 I N 1.196 121.888 120.570 0.205 0.000 2.498 355 I HA 0.019 4.197 4.170 0.014 0.000 0.290 355 I C 0.224 176.456 176.117 0.191 0.000 1.032 355 I CA -0.966 60.455 61.300 0.201 0.000 1.073 355 I CB 2.462 40.533 38.000 0.117 0.000 1.251 355 I HN -0.062 nan 8.210 nan 0.000 0.426 356 D N 5.721 126.233 120.400 0.187 0.000 3.061 356 D HA -0.204 4.444 4.640 0.014 0.000 0.226 356 D C 0.808 177.155 176.300 0.079 0.000 1.168 356 D CA 0.779 54.834 54.000 0.092 0.000 0.822 356 D CB 0.531 41.401 40.800 0.116 0.000 1.152 356 D HN 0.498 nan 8.370 nan 0.000 0.555 357 Y N 3.307 123.697 120.300 0.150 0.000 2.639 357 Y HA 0.025 4.584 4.550 0.014 0.000 0.297 357 Y C 1.987 177.897 175.900 0.016 0.000 1.151 357 Y CA 0.352 58.497 58.100 0.074 0.000 1.335 357 Y CB -0.358 38.154 38.460 0.086 0.000 0.994 357 Y HN 0.250 nan 8.280 nan 0.000 0.548 358 R N -0.791 119.719 120.500 0.017 0.000 2.080 358 R HA 0.000 4.349 4.340 0.014 0.000 0.222 358 R C 1.813 178.126 176.300 0.021 0.000 1.107 358 R CA 1.239 57.348 56.100 0.015 0.000 0.980 358 R CB -0.550 29.665 30.300 -0.141 0.000 0.879 358 R HN 0.385 nan 8.270 nan 0.000 0.439 359 F N 1.668 121.545 119.950 -0.122 0.000 2.113 359 F HA -0.143 4.392 4.527 0.014 0.000 0.297 359 F C 1.882 177.591 175.800 -0.151 0.000 1.103 359 F CA 1.121 59.027 58.000 -0.156 0.000 1.248 359 F CB -0.083 38.745 39.000 -0.285 0.000 0.999 359 F HN -0.158 nan 8.300 nan 0.000 0.475 360 I N 0.922 121.309 120.570 -0.304 0.000 2.194 360 I HA -0.332 3.846 4.170 0.014 0.000 0.246 360 I C 2.223 178.172 176.117 -0.280 0.000 1.093 360 I CA 2.104 63.197 61.300 -0.344 0.000 1.355 360 I CB -1.608 36.303 38.000 -0.149 0.000 1.046 360 I HN 0.269 nan 8.210 nan 0.000 0.413 361 D N 0.648 120.934 120.400 -0.189 0.000 2.097 361 D HA -0.228 4.420 4.640 0.014 0.000 0.197 361 D C 2.291 178.475 176.300 -0.193 0.000 0.984 361 D CA 1.429 55.324 54.000 -0.175 0.000 0.826 361 D CB -0.020 40.723 40.800 -0.095 0.000 0.973 361 D HN 0.213 nan 8.370 nan 0.000 0.460 362 K N -0.994 119.294 120.400 -0.187 0.000 2.057 362 K HA -0.171 4.157 4.320 0.014 0.000 0.207 362 K C 2.114 178.592 176.600 -0.202 0.000 1.049 362 K CA 1.222 57.415 56.287 -0.156 0.000 0.931 362 K CB -0.399 32.056 32.500 -0.075 0.000 0.714 362 K HN 0.332 nan 8.250 nan 0.000 0.440 363 W N 1.191 122.106 121.300 -0.641 0.000 2.407 363 W HA -0.105 4.564 4.660 0.014 0.000 0.305 363 W C 1.911 178.152 176.519 -0.464 0.000 1.196 363 W CA 1.480 58.445 57.345 -0.634 0.000 1.311 363 W CB -0.104 28.721 29.460 -1.058 0.000 1.135 363 W HN -0.022 nan 8.180 nan 0.000 0.514 364 M N -0.066 119.382 119.600 -0.253 0.000 2.108 364 M HA -0.267 4.221 4.480 0.014 0.000 0.261 364 M C 2.188 178.220 176.300 -0.446 0.000 1.066 364 M CA 2.169 57.099 55.300 -0.616 0.000 1.107 364 M CB -0.778 31.354 32.600 -0.780 0.000 1.356 364 M HN -0.125 nan 8.290 nan 0.000 0.406 365 S N 0.275 115.795 115.700 -0.301 0.000 2.383 365 S HA -0.049 4.429 4.470 0.014 0.000 0.227 365 S C 2.032 176.530 174.600 -0.170 0.000 1.026 365 S CA 1.203 59.289 58.200 -0.190 0.000 0.981 365 S CB -0.291 62.822 63.200 -0.144 0.000 0.818 365 S HN 0.555 nan 8.310 nan 0.000 0.472 366 A N 1.133 123.822 122.820 -0.218 0.000 1.873 366 A HA -0.006 4.322 4.320 0.014 0.000 0.215 366 A C 2.328 179.783 177.584 -0.214 0.000 1.186 366 A CA 1.346 53.273 52.037 -0.183 0.000 0.616 366 A CB -0.940 17.959 19.000 -0.168 0.000 0.823 366 A HN 0.317 nan 8.150 nan 0.000 0.442 367 V N 0.018 119.709 119.914 -0.372 0.000 2.255 367 V HA -0.327 3.801 4.120 0.014 0.000 0.247 367 V C 2.776 178.810 176.094 -0.100 0.000 1.051 367 V CA 2.532 64.639 62.300 -0.321 0.000 1.018 367 V CB -0.873 30.573 31.823 -0.628 0.000 0.641 367 V HN 0.718 nan 8.190 nan 0.000 0.445 368 Q N 0.870 120.661 119.800 -0.016 0.000 2.014 368 Q HA -0.236 4.113 4.340 0.014 0.000 0.207 368 Q C 1.960 177.957 176.000 -0.006 0.000 0.993 368 Q CA 2.339 58.174 55.803 0.053 0.000 0.850 368 Q CB -0.545 28.260 28.738 0.113 0.000 0.916 368 Q HN 0.633 nan 8.270 nan 0.000 0.417 369 N N -0.333 118.346 118.700 -0.034 0.000 2.348 369 N HA -0.128 4.620 4.740 0.014 0.000 0.185 369 N C 1.506 176.999 175.510 -0.028 0.000 1.019 369 N CA 1.251 54.282 53.050 -0.031 0.000 0.880 369 N CB -0.442 38.020 38.487 -0.041 0.000 0.965 369 N HN 0.480 nan 8.380 nan 0.000 0.437 370 S N -1.355 114.323 115.700 -0.037 0.000 2.453 370 S HA 0.031 4.509 4.470 0.014 0.000 0.231 370 S C 0.855 175.444 174.600 -0.017 0.000 1.005 370 S CA 0.324 58.507 58.200 -0.028 0.000 0.949 370 S CB 0.063 63.240 63.200 -0.038 0.000 0.774 370 S HN 0.242 nan 8.310 nan 0.000 0.510 371 S N -0.479 115.210 115.700 -0.018 0.000 2.618 371 S HA 0.522 5.000 4.470 0.014 0.000 0.277 371 S C -0.176 174.416 174.600 -0.014 0.000 1.138 371 S CA -0.825 57.365 58.200 -0.017 0.000 0.844 371 S CB 1.065 64.251 63.200 -0.023 0.000 1.127 371 S HN 0.124 nan 8.310 nan 0.000 0.474 372 N N 1.211 119.901 118.700 -0.016 0.000 2.457 372 N HA 0.047 4.795 4.740 0.014 0.000 0.180 372 N C 0.724 176.226 175.510 -0.013 0.000 1.050 372 N CA 0.246 53.288 53.050 -0.013 0.000 0.906 372 N CB -0.514 37.964 38.487 -0.015 0.000 0.968 372 N HN 0.720 nan 8.380 nan 0.000 0.445 373 R N 1.297 121.784 120.500 -0.021 0.000 2.643 373 R HA 0.048 4.397 4.340 0.014 0.000 0.270 373 R C -0.638 175.658 176.300 -0.006 0.000 1.061 373 R CA -0.255 55.832 56.100 -0.021 0.000 1.107 373 R CB 0.408 30.685 30.300 -0.039 0.000 0.999 373 R HN -0.189 nan 8.270 nan 0.000 0.460 374 D N 4.060 124.466 120.400 0.009 0.000 2.422 374 D HA 0.122 4.771 4.640 0.014 0.000 0.227 374 D C -0.465 175.846 176.300 0.019 0.000 1.190 374 D CA -0.432 53.584 54.000 0.027 0.000 0.905 374 D CB 0.732 41.561 40.800 0.047 0.000 1.034 374 D HN 0.339 nan 8.370 nan 0.000 0.507 375 V N 4.149 124.047 119.914 -0.027 0.000 2.924 375 V HA 0.184 4.312 4.120 0.014 0.000 0.305 375 V C 0.281 176.218 176.094 -0.261 0.000 1.073 375 V CA -0.377 61.825 62.300 -0.164 0.000 1.098 375 V CB 0.732 32.398 31.823 -0.262 0.000 1.000 375 V HN 0.451 nan 8.190 nan 0.000 0.484 376 F N 4.282 123.892 119.950 -0.567 0.000 2.482 376 F HA 0.714 5.249 4.527 0.013 0.000 0.331 376 F C -1.046 174.353 175.800 -0.669 0.000 1.115 376 F CA -0.787 56.922 58.000 -0.485 0.000 0.955 376 F CB 1.214 39.942 39.000 -0.453 0.000 1.136 376 F HN 0.329 nan 8.300 nan 0.000 0.452 377 F N 6.147 125.780 119.950 -0.529 0.000 2.518 377 F HA 0.587 5.122 4.527 0.014 0.000 0.323 377 F C -0.886 174.555 175.800 -0.599 0.000 1.129 377 F CA -1.256 56.547 58.000 -0.329 0.000 0.920 377 F CB 2.016 40.929 39.000 -0.145 0.000 1.160 377 F HN 0.288 nan 8.300 nan 0.000 0.440 378 V N 3.372 123.136 119.914 -0.250 0.000 2.483 378 V HA 0.821 4.950 4.120 0.014 0.000 0.297 378 V C -0.246 175.707 176.094 -0.234 0.000 1.027 378 V CA -0.252 61.821 62.300 -0.378 0.000 0.855 378 V CB 1.417 32.885 31.823 -0.591 0.000 0.995 378 V HN 0.828 nan 8.190 nan 0.000 0.424 379 G N 3.950 112.666 108.800 -0.141 0.000 2.400 379 G HA2 0.421 4.389 3.960 0.014 0.000 0.301 379 G HA3 0.421 4.389 3.960 0.014 0.000 0.301 379 G C -0.435 174.518 174.900 0.089 0.000 1.154 379 G CA -0.388 44.725 45.100 0.022 0.000 0.852 379 G HN 0.772 nan 8.290 nan 0.000 0.511 380 E N 1.269 121.600 120.200 0.217 0.000 1.963 380 E HA 0.434 4.792 4.350 0.014 0.000 0.274 380 E C -0.346 176.351 176.600 0.163 0.000 1.061 380 E CA -0.512 56.104 56.400 0.361 0.000 0.847 380 E CB 0.517 30.426 29.700 0.349 0.000 1.083 380 E HN 0.438 nan 8.360 nan 0.000 0.402 381 A N 6.249 129.123 122.820 0.090 0.000 2.328 381 A HA 0.140 4.469 4.320 0.014 0.000 0.318 381 A C -1.037 176.425 177.584 -0.203 0.000 1.347 381 A CA -0.699 51.204 52.037 -0.223 0.000 0.842 381 A CB 0.225 18.871 19.000 -0.590 0.000 1.148 381 A HN 0.694 nan 8.150 nan 0.000 0.499 382 W N 4.691 125.662 121.300 -0.548 0.000 2.365 382 W HA 0.507 5.175 4.660 0.013 0.000 0.371 382 W C -1.510 174.664 176.519 -0.574 0.000 1.006 382 W CA -0.403 56.353 57.345 -0.981 0.000 1.528 382 W CB 0.635 29.567 29.460 -0.881 0.000 1.497 382 W HN 0.327 nan 8.180 nan 0.000 0.367 383 V N 6.345 126.205 119.914 -0.090 0.000 2.567 383 V HA 0.107 4.236 4.120 0.014 0.000 0.298 383 V C 0.428 176.570 176.094 0.080 0.000 1.047 383 V CA -0.601 61.703 62.300 0.006 0.000 0.880 383 V CB 1.809 33.608 31.823 -0.041 0.000 1.009 383 V HN 0.351 nan 8.190 nan 0.000 0.429 384 E N 1.612 121.877 120.200 0.108 0.000 2.472 384 E HA 0.058 4.416 4.350 0.014 0.000 0.196 384 E C 0.064 176.703 176.600 0.064 0.000 1.033 384 E CA 0.072 56.543 56.400 0.118 0.000 0.886 384 E CB 0.594 30.376 29.700 0.137 0.000 0.944 384 E HN 0.837 nan 8.360 nan 0.000 0.492 385 D N -0.407 120.021 120.400 0.047 0.000 2.198 385 D HA 0.012 4.660 4.640 0.014 0.000 0.245 385 D C 1.374 177.681 176.300 0.013 0.000 1.079 385 D CA -0.302 53.712 54.000 0.024 0.000 0.854 385 D CB 1.737 42.551 40.800 0.023 0.000 1.148 385 D HN -0.117 nan 8.370 nan 0.000 0.456 386 V N 1.191 121.098 119.914 -0.012 0.000 2.427 386 V HA -0.120 4.008 4.120 0.014 0.000 0.248 386 V C 1.271 177.319 176.094 -0.077 0.000 1.051 386 V CA 1.401 63.676 62.300 -0.042 0.000 1.048 386 V CB -0.443 31.345 31.823 -0.058 0.000 0.666 386 V HN 0.494 nan 8.190 nan 0.000 0.456 387 D N 0.411 120.775 120.400 -0.059 0.000 2.144 387 D HA -0.129 4.519 4.640 0.014 0.000 0.200 387 D C 1.980 178.269 176.300 -0.017 0.000 0.978 387 D CA 1.565 55.525 54.000 -0.067 0.000 0.833 387 D CB -0.381 40.396 40.800 -0.038 0.000 0.961 387 D HN 0.453 nan 8.370 nan 0.000 0.470 388 D N 0.273 120.694 120.400 0.035 0.000 2.149 388 D HA -0.134 4.515 4.640 0.014 0.000 0.198 388 D C 2.114 178.448 176.300 0.057 0.000 0.990 388 D CA 0.409 54.481 54.000 0.120 0.000 0.839 388 D CB -0.097 40.781 40.800 0.130 0.000 0.948 388 D HN 0.139 nan 8.370 nan 0.000 0.460 389 L N 1.150 122.374 121.223 0.002 0.000 2.072 389 L HA -0.082 4.267 4.340 0.014 0.000 0.205 389 L C 2.025 178.874 176.870 -0.035 0.000 1.079 389 L CA 1.594 56.434 54.840 0.000 0.000 0.752 389 L CB -0.283 41.794 42.059 0.030 0.000 0.906 389 L HN -0.167 nan 8.230 nan 0.000 0.436 390 K N -0.541 119.763 120.400 -0.161 0.000 2.034 390 K HA -0.182 4.146 4.320 0.014 0.000 0.214 390 K C 1.984 178.501 176.600 -0.138 0.000 1.051 390 K CA 1.576 57.671 56.287 -0.321 0.000 0.931 390 K CB -0.952 31.182 32.500 -0.610 0.000 0.715 390 K HN 0.532 nan 8.250 nan 0.000 0.446 391 G N 0.683 109.431 108.800 -0.087 0.000 2.442 391 G HA2 -0.280 3.689 3.960 0.014 0.000 0.219 391 G HA3 -0.280 3.689 3.960 0.014 0.000 0.219 391 G C 1.341 176.069 174.900 -0.287 0.000 1.141 391 G CA 0.612 45.704 45.100 -0.014 0.000 0.763 391 G HN 0.269 nan 8.290 nan 0.000 0.554 392 F N 1.061 120.551 119.950 -0.766 0.000 2.134 392 F HA 0.087 4.623 4.527 0.014 0.000 0.299 392 F C 2.346 177.884 175.800 -0.437 0.000 1.097 392 F CA 1.043 58.438 58.000 -1.008 0.000 1.264 392 F CB -0.245 38.291 39.000 -0.774 0.000 1.001 392 F HN 0.056 nan 8.300 nan 0.000 0.479 393 L N -0.138 120.835 121.223 -0.416 0.000 2.109 393 L HA -0.173 4.175 4.340 0.014 0.000 0.207 393 L C 2.047 178.765 176.870 -0.253 0.000 1.086 393 L CA 1.193 55.830 54.840 -0.337 0.000 0.760 393 L CB -0.732 41.321 42.059 -0.011 0.000 0.910 393 L HN 0.058 nan 8.230 nan 0.000 0.437 394 D N -0.815 119.502 120.400 -0.138 0.000 2.178 394 D HA -0.141 4.507 4.640 0.014 0.000 0.202 394 D C 2.119 178.303 176.300 -0.192 0.000 0.974 394 D CA 1.400 55.342 54.000 -0.098 0.000 0.841 394 D CB -0.181 40.617 40.800 -0.002 0.000 0.953 394 D HN 0.237 nan 8.370 nan 0.000 0.478 395 T N 0.457 114.825 114.554 -0.309 0.000 2.812 395 T HA -0.054 4.305 4.350 0.014 0.000 0.264 395 T C 2.272 176.665 174.700 -0.512 0.000 1.042 395 T CA 0.605 62.462 62.100 -0.405 0.000 1.140 395 T CB -0.152 68.466 68.868 -0.416 0.000 0.870 395 T HN -0.023 nan 8.240 nan 0.000 0.445 396 V N 0.647 120.231 119.914 -0.550 0.000 2.358 396 V HA 0.093 4.222 4.120 0.014 0.000 0.246 396 V C 2.279 178.240 176.094 -0.222 0.000 1.047 396 V CA 1.539 63.614 62.300 -0.376 0.000 1.035 396 V CB -1.330 30.202 31.823 -0.484 0.000 0.658 396 V HN 0.713 nan 8.190 nan 0.000 0.452 397 G N 0.797 109.462 108.800 -0.224 0.000 2.143 397 G HA2 -0.281 3.688 3.960 0.014 0.000 0.248 397 G HA3 -0.281 3.688 3.960 0.014 0.000 0.248 397 G C 0.138 174.960 174.900 -0.129 0.000 0.991 397 G CA 0.365 45.380 45.100 -0.141 0.000 0.689 397 G HN 0.506 nan 8.290 nan 0.000 0.522 398 N N 0.584 119.187 118.700 -0.161 0.000 2.457 398 N HA 0.442 5.190 4.740 0.014 0.000 0.250 398 N C -1.225 174.197 175.510 -0.147 0.000 0.982 398 N CA -1.700 51.256 53.050 -0.156 0.000 0.941 398 N CB 1.769 40.136 38.487 -0.200 0.000 1.120 398 N HN -0.043 nan 8.380 nan 0.000 0.505 399 P HA 0.016 nan 4.420 nan 0.000 0.228 399 P C 0.157 177.400 177.300 -0.095 0.000 1.151 399 P CA 0.748 63.783 63.100 -0.107 0.000 0.770 399 P CB 0.479 32.127 31.700 -0.087 0.000 0.786 400 D N -1.167 119.179 120.400 -0.089 0.000 2.347 400 D HA 0.013 4.661 4.640 0.014 0.000 0.213 400 D C 0.513 176.771 176.300 -0.070 0.000 0.985 400 D CA 0.276 54.253 54.000 -0.038 0.000 0.879 400 D CB -0.166 40.675 40.800 0.067 0.000 0.919 400 D HN 0.137 nan 8.370 nan 0.000 0.526 401 L N 1.903 123.049 121.223 -0.128 0.000 2.315 401 L HA 0.218 4.566 4.340 0.014 0.000 0.283 401 L C 0.177 176.968 176.870 -0.132 0.000 1.089 401 L CA -0.064 54.695 54.840 -0.135 0.000 0.833 401 L CB 0.217 42.181 42.059 -0.159 0.000 1.170 401 L HN -0.223 nan 8.230 nan 0.000 0.442 402 R N 3.729 124.118 120.500 -0.186 0.000 2.691 402 R HA 0.881 5.229 4.340 0.014 0.000 0.259 402 R C -1.033 175.169 176.300 -0.164 0.000 1.048 402 R CA -0.900 55.090 56.100 -0.183 0.000 1.086 402 R CB 1.532 31.655 30.300 -0.296 0.000 1.166 402 R HN 0.504 nan 8.270 nan 0.000 0.526 403 V N -1.872 117.970 119.914 -0.120 0.000 3.049 403 V HA 0.513 4.642 4.120 0.014 0.000 0.309 403 V C -0.676 175.369 176.094 -0.081 0.000 1.148 403 V CA -1.280 60.975 62.300 -0.076 0.000 0.990 403 V CB 1.458 33.348 31.823 0.112 0.000 1.039 403 V HN 0.546 nan 8.190 nan 0.000 0.430 404 F N 1.152 121.146 119.950 0.073 0.000 2.529 404 F HA 0.261 4.796 4.527 0.014 0.000 0.365 404 F C 1.173 177.056 175.800 0.139 0.000 1.102 404 F CA 0.272 58.287 58.000 0.025 0.000 1.271 404 F CB 0.531 39.345 39.000 -0.310 0.000 1.120 404 F HN 0.635 nan 8.300 nan 0.000 0.579 405 D N 4.004 124.604 120.400 0.332 0.000 2.688 405 D HA 0.043 4.691 4.640 0.014 0.000 0.228 405 D C 1.068 177.377 176.300 0.015 0.000 1.116 405 D CA 0.224 54.319 54.000 0.157 0.000 1.023 405 D CB -0.416 40.433 40.800 0.082 0.000 1.100 405 D HN 0.360 nan 8.370 nan 0.000 0.487 406 F N 0.920 120.936 119.950 0.110 0.000 2.161 406 F HA -0.103 4.432 4.527 0.013 0.000 0.300 406 F C -0.490 175.232 175.800 -0.131 0.000 1.089 406 F CA 0.789 58.748 58.000 -0.067 0.000 1.282 406 F CB -1.184 37.748 39.000 -0.114 0.000 1.010 406 F HN 0.329 nan 8.300 nan 0.000 0.485 407 P HA -0.212 nan 4.420 nan 0.000 0.216 407 P C 1.911 179.127 177.300 -0.139 0.000 1.153 407 P CA 1.182 64.275 63.100 -0.013 0.000 0.858 407 P CB -0.050 31.648 31.700 -0.004 0.000 0.789 408 L N -0.174 120.910 121.223 -0.232 0.000 2.046 408 L HA -0.091 4.257 4.340 0.014 0.000 0.208 408 L C 2.479 178.876 176.870 -0.788 0.000 1.077 408 L CA 1.795 56.351 54.840 -0.474 0.000 0.747 408 L CB -1.039 40.767 42.059 -0.422 0.000 0.896 408 L HN -0.208 nan 8.230 nan 0.000 0.432 409 R N -0.820 119.288 120.500 -0.653 0.000 2.120 409 R HA -0.158 4.190 4.340 0.014 0.000 0.234 409 R C 2.475 178.564 176.300 -0.351 0.000 1.123 409 R CA 1.333 57.071 56.100 -0.602 0.000 0.975 409 R CB -0.307 29.630 30.300 -0.606 0.000 0.866 409 R HN 0.648 nan 8.270 nan 0.000 0.446 410 S N -0.354 115.207 115.700 -0.232 0.000 2.400 410 S HA -0.208 4.270 4.470 0.014 0.000 0.232 410 S C 1.752 176.251 174.600 -0.170 0.000 1.025 410 S CA 1.124 59.249 58.200 -0.125 0.000 0.993 410 S CB -0.496 62.677 63.200 -0.044 0.000 0.808 410 S HN 0.487 nan 8.310 nan 0.000 0.478 411 F N 1.116 120.824 119.950 -0.403 0.000 2.206 411 F HA 0.180 4.716 4.527 0.015 0.000 0.298 411 F C 1.671 177.308 175.800 -0.272 0.000 1.090 411 F CA 1.139 58.916 58.000 -0.371 0.000 1.323 411 F CB -0.221 38.476 39.000 -0.504 0.000 1.028 411 F HN 0.248 nan 8.300 nan 0.000 0.492 412 F N -1.120 118.795 119.950 -0.059 0.000 2.186 412 F HA -0.181 4.354 4.527 0.012 0.000 0.299 412 F C 2.215 177.894 175.800 -0.203 0.000 1.090 412 F CA 0.577 58.490 58.000 -0.145 0.000 1.307 412 F CB -0.838 38.029 39.000 -0.221 0.000 1.019 412 F HN -0.264 nan 8.300 nan 0.000 0.489 413 V N 0.157 120.040 119.914 -0.053 0.000 2.407 413 V HA -0.315 3.813 4.120 0.014 0.000 0.248 413 V C 2.122 178.125 176.094 -0.152 0.000 1.055 413 V CA 2.128 64.365 62.300 -0.104 0.000 1.049 413 V CB -0.568 31.214 31.823 -0.068 0.000 0.662 413 V HN 0.308 nan 8.190 nan 0.000 0.455 414 D N 0.255 120.520 120.400 -0.226 0.000 2.092 414 D HA -0.225 4.423 4.640 0.014 0.000 0.193 414 D C 2.117 178.253 176.300 -0.274 0.000 0.994 414 D CA 1.808 55.620 54.000 -0.314 0.000 0.828 414 D CB -0.243 40.202 40.800 -0.592 0.000 0.963 414 D HN 0.378 nan 8.370 nan 0.000 0.450 415 M N -0.265 119.177 119.600 -0.264 0.000 2.435 415 M HA -0.136 4.352 4.480 0.014 0.000 0.262 415 M C 2.193 178.423 176.300 -0.116 0.000 1.065 415 M CA 0.558 55.772 55.300 -0.143 0.000 1.076 415 M CB -0.125 32.461 32.600 -0.023 0.000 1.403 415 M HN 0.106 nan 8.290 nan 0.000 0.454 416 L N 0.777 121.907 121.223 -0.155 0.000 2.081 416 L HA -0.238 4.111 4.340 0.014 0.000 0.212 416 L C 1.674 178.499 176.870 -0.075 0.000 1.080 416 L CA 1.243 55.970 54.840 -0.188 0.000 0.754 416 L CB -0.766 41.120 42.059 -0.289 0.000 0.893 416 L HN 0.547 nan 8.230 nan 0.000 0.433 417 N N -0.732 117.934 118.700 -0.056 0.000 2.238 417 N HA 0.221 4.970 4.740 0.014 0.000 0.235 417 N C 0.148 175.643 175.510 -0.024 0.000 1.209 417 N CA 0.466 53.506 53.050 -0.017 0.000 0.879 417 N CB 0.906 39.392 38.487 -0.002 0.000 1.136 417 N HN 0.147 nan 8.380 nan 0.000 0.517 418 G N -0.797 107.977 108.800 -0.043 0.000 3.367 418 G HA2 0.445 4.413 3.960 0.014 0.000 0.686 418 G HA3 0.445 4.413 3.960 0.014 0.000 0.686 418 G C -0.954 173.904 174.900 -0.070 0.000 1.146 418 G CA -0.529 44.551 45.100 -0.033 0.000 0.913 418 G HN 0.618 nan 8.290 nan 0.000 0.554 419 A N 1.993 124.767 122.820 -0.078 0.000 2.387 419 A HA 0.865 5.193 4.320 0.014 0.000 0.298 419 A C -0.778 176.834 177.584 0.046 0.000 1.165 419 A CA -0.782 51.177 52.037 -0.131 0.000 0.814 419 A CB 1.399 20.142 19.000 -0.429 0.000 1.357 419 A HN 1.779 nan 8.150 nan 0.000 0.443 420 Y N 1.942 122.251 120.300 0.016 0.000 2.595 420 Y HA 0.224 4.782 4.550 0.013 0.000 0.347 420 Y C 1.168 177.223 175.900 0.258 0.000 1.025 420 Y CA -0.447 57.725 58.100 0.120 0.000 1.295 420 Y CB 0.646 39.162 38.460 0.094 0.000 1.147 420 Y HN 0.583 nan 8.280 nan 0.000 0.515 421 M N 3.248 122.830 119.600 -0.031 0.000 2.296 421 M HA -0.113 4.375 4.480 0.014 0.000 0.265 421 M C 2.238 178.607 176.300 0.115 0.000 1.064 421 M CA 1.221 56.603 55.300 0.137 0.000 1.109 421 M CB -1.192 31.470 32.600 0.103 0.000 1.396 421 M HN 0.830 nan 8.290 nan 0.000 0.430 422 A N 0.635 123.503 122.820 0.081 0.000 1.997 422 A HA -0.206 4.123 4.320 0.014 0.000 0.221 422 A C 1.627 179.329 177.584 0.195 0.000 1.172 422 A CA 1.993 54.154 52.037 0.207 0.000 0.645 422 A CB -0.772 18.378 19.000 0.249 0.000 0.813 422 A HN 0.417 nan 8.150 nan 0.000 0.454 423 D N -0.480 120.053 120.400 0.222 0.000 2.378 423 D HA 0.009 4.658 4.640 0.014 0.000 0.227 423 D C 1.475 177.583 176.300 -0.321 0.000 1.012 423 D CA 0.326 54.375 54.000 0.082 0.000 0.905 423 D CB -0.191 40.775 40.800 0.277 0.000 0.895 423 D HN 0.491 nan 8.370 nan 0.000 0.532 424 L N 0.127 120.984 121.223 -0.609 0.000 2.376 424 L HA -0.032 4.316 4.340 0.014 0.000 0.219 424 L C 2.429 178.967 176.870 -0.554 0.000 1.133 424 L CA 0.371 54.608 54.840 -1.004 0.000 0.816 424 L CB -0.084 41.126 42.059 -1.416 0.000 0.933 424 L HN -0.054 nan 8.230 nan 0.000 0.449 425 R N 0.446 120.829 120.500 -0.194 0.000 2.159 425 R HA -0.144 4.204 4.340 0.014 0.000 0.237 425 R C 0.693 176.980 176.300 -0.023 0.000 1.131 425 R CA 1.336 57.471 56.100 0.057 0.000 0.982 425 R CB 0.106 30.509 30.300 0.172 0.000 0.868 425 R HN 0.415 nan 8.270 nan 0.000 0.453 426 N N -0.780 117.865 118.700 -0.092 0.000 2.241 426 N HA 0.144 4.892 4.740 0.014 0.000 0.238 426 N C -1.150 174.292 175.510 -0.114 0.000 1.244 426 N CA 0.109 53.119 53.050 -0.067 0.000 0.880 426 N CB 1.703 40.176 38.487 -0.023 0.000 1.179 426 N HN 0.105 nan 8.380 nan 0.000 0.513 427 A N 0.337 123.027 122.820 -0.217 0.000 2.306 427 A HA 0.791 5.119 4.320 0.014 0.000 0.314 427 A C 0.872 178.345 177.584 -0.185 0.000 1.164 427 A CA 0.135 52.026 52.037 -0.243 0.000 0.822 427 A CB 0.498 19.203 19.000 -0.490 0.000 1.130 427 A HN 0.256 nan 8.150 nan 0.000 0.496 428 G N -0.227 108.489 108.800 -0.139 0.000 2.730 428 G HA2 0.105 4.073 3.960 0.014 0.000 0.686 428 G HA3 0.105 4.073 3.960 0.014 0.000 0.686 428 G C 0.273 175.142 174.900 -0.052 0.000 1.343 428 G CA -0.056 44.980 45.100 -0.106 0.000 0.826 428 G HN 1.746 nan 8.290 nan 0.000 0.582 429 L N 1.068 122.278 121.223 -0.021 0.000 2.079 429 L HA -0.011 4.337 4.340 0.014 0.000 0.210 429 L C 3.006 179.894 176.870 0.030 0.000 1.081 429 L CA 2.792 57.637 54.840 0.008 0.000 0.752 429 L CB -0.513 41.572 42.059 0.044 0.000 0.896 429 L HN 1.182 nan 8.230 nan 0.000 0.433 430 V N 0.101 120.027 119.914 0.021 0.000 2.982 430 V HA -0.217 3.912 4.120 0.014 0.000 0.265 430 V C 1.365 177.462 176.094 0.006 0.000 1.122 430 V CA 1.775 64.088 62.300 0.022 0.000 1.143 430 V CB -0.739 31.097 31.823 0.023 0.000 0.726 430 V HN 0.641 nan 8.190 nan 0.000 0.507 431 N N -0.586 118.113 118.700 -0.003 0.000 2.238 431 N HA 0.166 4.914 4.740 0.014 0.000 0.235 431 N C -0.035 175.483 175.510 0.013 0.000 1.209 431 N CA 0.035 53.083 53.050 -0.003 0.000 0.879 431 N CB 0.952 39.423 38.487 -0.027 0.000 1.136 431 N HN 0.240 nan 8.380 nan 0.000 0.517 432 S N 2.758 118.478 115.700 0.034 0.000 2.399 432 S HA 0.312 4.791 4.470 0.014 0.000 0.301 432 S C -2.394 172.282 174.600 0.128 0.000 1.093 432 S CA -0.962 57.267 58.200 0.048 0.000 1.077 432 S CB 1.256 64.454 63.200 -0.003 0.000 0.980 432 S HN 0.077 nan 8.310 nan 0.000 0.494 433 P HA 0.119 nan 4.420 nan 0.000 0.262 433 P C 1.046 178.455 177.300 0.181 0.000 1.182 433 P CA 1.012 64.177 63.100 0.108 0.000 0.761 433 P CB 0.218 31.963 31.700 0.074 0.000 0.795 434 G N 2.129 110.987 108.800 0.096 0.000 2.234 434 G HA2 -0.309 3.660 3.960 0.014 0.000 0.235 434 G HA3 -0.309 3.660 3.960 0.014 0.000 0.235 434 G C 0.393 175.154 174.900 -0.233 0.000 0.997 434 G CA -0.117 44.961 45.100 -0.036 0.000 0.623 434 G HN 0.500 nan 8.290 nan 0.000 0.514 435 Y N 0.524 120.816 120.300 -0.014 0.000 2.563 435 Y HA 0.382 4.940 4.550 0.014 0.000 0.250 435 Y C 2.080 177.972 175.900 -0.012 0.000 1.126 435 Y CA 0.541 58.631 58.100 -0.017 0.000 1.231 435 Y CB 0.367 38.818 38.460 -0.015 0.000 1.288 435 Y HN 0.310 nan 8.280 nan 0.000 0.537 436 E N 0.633 120.899 120.200 0.109 0.000 2.085 436 E HA -0.180 4.178 4.350 0.014 0.000 0.194 436 E C 1.208 177.835 176.600 0.045 0.000 0.994 436 E CA 1.506 57.946 56.400 0.066 0.000 0.801 436 E CB -0.154 29.568 29.700 0.038 0.000 0.743 436 E HN 0.271 nan 8.360 nan 0.000 0.453 437 N N 0.291 119.005 118.700 0.023 0.000 2.461 437 N HA 0.026 4.774 4.740 0.014 0.000 0.188 437 N C 0.640 176.157 175.510 0.012 0.000 1.134 437 N CA 0.264 53.325 53.050 0.018 0.000 0.878 437 N CB 0.284 38.775 38.487 0.007 0.000 0.972 437 N HN 0.087 nan 8.380 nan 0.000 0.456 438 R N 0.131 120.639 120.500 0.013 0.000 2.359 438 R HA 0.275 4.623 4.340 0.014 0.000 0.231 438 R C 0.044 176.351 176.300 0.011 0.000 0.913 438 R CA -0.150 55.946 56.100 -0.007 0.000 1.075 438 R CB 0.481 30.779 30.300 -0.005 0.000 1.087 438 R HN -0.006 nan 8.270 nan 0.000 0.515 439 A N 1.054 123.901 122.820 0.044 0.000 2.289 439 A HA 0.393 4.721 4.320 0.014 0.000 0.298 439 A C -0.196 177.436 177.584 0.080 0.000 1.208 439 A CA -0.365 51.711 52.037 0.064 0.000 0.845 439 A CB 0.917 19.962 19.000 0.076 0.000 1.125 439 A HN 0.018 nan 8.150 nan 0.000 0.517 440 V N 3.985 123.944 119.914 0.076 0.000 2.328 440 V HA 0.390 4.518 4.120 0.014 0.000 0.278 440 V C 0.578 176.876 176.094 0.339 0.000 1.021 440 V CA -0.198 62.195 62.300 0.156 0.000 0.838 440 V CB 0.952 32.761 31.823 -0.022 0.000 0.999 440 V HN 1.016 nan 8.190 nan 0.000 0.447 441 T N 2.928 117.677 114.554 0.325 0.000 2.928 441 T HA 0.877 5.235 4.350 0.014 0.000 0.284 441 T C -0.644 174.317 174.700 0.434 0.000 1.008 441 T CA -0.532 61.760 62.100 0.319 0.000 1.057 441 T CB 1.682 70.671 68.868 0.202 0.000 1.018 441 T HN 0.720 nan 8.240 nan 0.000 0.493 442 F N -1.098 118.909 119.950 0.094 0.000 2.770 442 F HA 0.629 5.165 4.527 0.015 0.000 0.313 442 F C -0.701 175.053 175.800 -0.075 0.000 1.154 442 F CA -1.333 56.675 58.000 0.013 0.000 0.923 442 F CB 0.558 39.539 39.000 -0.031 0.000 1.301 442 F HN 0.275 nan 8.300 nan 0.000 0.449 443 V N -0.549 119.212 119.914 -0.255 0.000 3.013 443 V HA 0.309 4.437 4.120 0.014 0.000 0.238 443 V C -0.424 175.521 176.094 -0.249 0.000 1.161 443 V CA 0.873 62.908 62.300 -0.442 0.000 1.170 443 V CB 0.208 31.509 31.823 -0.870 0.000 0.917 443 V HN 0.796 nan 8.190 nan 0.000 0.478 444 D N -0.590 119.799 120.400 -0.019 0.000 2.626 444 D HA 0.520 5.168 4.640 0.014 0.000 0.278 444 D C -1.250 174.864 176.300 -0.310 0.000 1.211 444 D CA -0.180 53.792 54.000 -0.047 0.000 0.903 444 D CB 2.534 43.354 40.800 0.033 0.000 1.408 444 D HN 0.406 nan 8.370 nan 0.000 0.454 445 N N -2.118 116.187 118.700 -0.658 0.000 3.308 445 N HA 0.054 4.803 4.740 0.014 0.000 0.276 445 N C 0.571 175.664 175.510 -0.695 0.000 1.533 445 N CA -0.491 51.970 53.050 -0.981 0.000 0.878 445 N CB 0.183 38.330 38.487 -0.568 0.000 1.566 445 N HN 0.351 nan 8.380 nan 0.000 0.546 446 H N -1.721 117.163 119.070 -0.310 0.000 2.543 446 H HA 0.072 4.637 4.556 0.014 0.000 0.286 446 H C -0.548 174.904 175.328 0.206 0.000 1.037 446 H CA 1.208 57.360 56.048 0.173 0.000 1.250 446 H CB -0.082 29.908 29.762 0.379 0.000 1.373 446 H HN 0.530 nan 8.280 nan 0.000 0.580 447 D N 0.739 120.961 120.400 -0.296 0.000 2.394 447 D HA -0.054 4.594 4.640 0.014 0.000 0.226 447 D C 2.222 178.642 176.300 0.201 0.000 0.990 447 D CA 1.865 55.866 54.000 0.001 0.000 0.902 447 D CB -0.002 40.793 40.800 -0.008 0.000 1.038 447 D HN 0.570 nan 8.370 nan 0.000 0.499 448 T N -1.637 112.957 114.554 0.067 0.000 2.985 448 T HA -0.073 4.285 4.350 0.014 0.000 0.266 448 T C 0.611 175.403 174.700 0.153 0.000 1.076 448 T CA 0.540 62.724 62.100 0.140 0.000 1.135 448 T CB 0.230 69.125 68.868 0.044 0.000 0.890 448 T HN -0.202 nan 8.240 nan 0.000 0.480 449 D N 1.566 122.061 120.400 0.159 0.000 2.408 449 D HA 0.368 5.016 4.640 0.014 0.000 0.261 449 D C -0.438 176.094 176.300 0.388 0.000 1.190 449 D CA -0.797 53.389 54.000 0.311 0.000 0.910 449 D CB 0.704 41.787 40.800 0.471 0.000 1.097 449 D HN 0.669 nan 8.370 nan 0.000 0.522 450 R N 1.464 122.142 120.500 0.296 0.000 2.774 450 R HA 0.531 4.880 4.340 0.014 0.000 0.272 450 R C -0.246 176.203 176.300 0.247 0.000 1.000 450 R CA -0.713 55.564 56.100 0.295 0.000 0.906 450 R CB 0.864 31.272 30.300 0.180 0.000 1.227 450 R HN -0.222 nan 8.270 nan 0.000 0.468 451 D N 0.645 121.214 120.400 0.282 0.000 2.078 451 D HA -0.128 4.520 4.640 0.014 0.000 0.193 451 D C -0.182 176.215 176.300 0.162 0.000 0.990 451 D CA 1.859 56.020 54.000 0.268 0.000 0.827 451 D CB 0.158 41.150 40.800 0.321 0.000 0.975 451 D HN 0.672 nan 8.370 nan 0.000 0.451 452 E N -1.912 118.360 120.200 0.119 0.000 2.238 452 E HA 0.543 4.901 4.350 0.014 0.000 0.267 452 E C 0.375 176.949 176.600 -0.044 0.000 0.887 452 E CA -0.854 55.574 56.400 0.046 0.000 0.769 452 E CB 2.117 31.855 29.700 0.064 0.000 1.187 452 E HN 0.073 nan 8.360 nan 0.000 0.416 453 G N 1.650 110.386 108.800 -0.106 0.000 2.137 453 G HA2 -0.335 3.633 3.960 0.014 0.000 0.237 453 G HA3 -0.335 3.633 3.960 0.014 0.000 0.237 453 G C 0.250 174.894 174.900 -0.427 0.000 1.002 453 G CA 0.274 45.230 45.100 -0.240 0.000 0.702 453 G HN 0.809 nan 8.290 nan 0.000 0.515 454 S N -1.122 114.419 115.700 -0.266 0.000 2.579 454 S HA 0.487 4.965 4.470 0.014 0.000 0.275 454 S C 1.343 175.751 174.600 -0.320 0.000 1.345 454 S CA 0.311 58.371 58.200 -0.234 0.000 1.031 454 S CB 0.610 63.808 63.200 -0.004 0.000 0.892 454 S HN 0.355 nan 8.310 nan 0.000 0.529 455 Y N 2.166 122.470 120.300 0.007 0.000 2.490 455 Y HA 0.230 4.788 4.550 0.013 0.000 0.285 455 Y C 1.676 177.610 175.900 0.057 0.000 1.117 455 Y CA 0.567 58.656 58.100 -0.018 0.000 1.262 455 Y CB 0.072 38.480 38.460 -0.086 0.000 1.043 455 Y HN 0.734 nan 8.280 nan 0.000 0.553 456 T N -1.859 112.853 114.554 0.264 0.000 2.681 456 T HA 0.467 4.825 4.350 0.014 0.000 0.296 456 T C -1.259 173.540 174.700 0.164 0.000 1.157 456 T CA -0.688 61.546 62.100 0.222 0.000 1.025 456 T CB 0.772 69.843 68.868 0.338 0.000 1.441 456 T HN -0.311 nan 8.240 nan 0.000 0.504 457 V N 3.281 123.284 119.914 0.147 0.000 2.583 457 V HA 0.495 4.623 4.120 0.014 0.000 0.287 457 V C 0.851 177.034 176.094 0.148 0.000 1.051 457 V CA 0.203 62.598 62.300 0.158 0.000 1.010 457 V CB 1.135 33.060 31.823 0.170 0.000 0.988 457 V HN 1.087 nan 8.190 nan 0.000 0.478 458 S N 7.184 122.992 115.700 0.181 0.000 2.596 458 S HA 0.300 4.779 4.470 0.014 0.000 0.260 458 S C 0.047 174.665 174.600 0.030 0.000 1.336 458 S CA -0.621 57.663 58.200 0.139 0.000 0.993 458 S CB 0.592 63.905 63.200 0.189 0.000 0.923 458 S HN 0.478 nan 8.310 nan 0.000 0.567 459 I N 2.671 123.213 120.570 -0.047 0.000 2.191 459 I HA 0.124 4.302 4.170 0.014 0.000 0.289 459 I C 0.538 176.524 176.117 -0.219 0.000 1.141 459 I CA -0.719 60.459 61.300 -0.202 0.000 1.430 459 I CB -1.660 36.231 38.000 -0.181 0.000 1.497 459 I HN 0.799 nan 8.210 nan 0.000 0.636 460 Y N 1.333 121.585 120.300 -0.081 0.000 2.578 460 Y HA 0.322 4.877 4.550 0.009 0.000 0.297 460 Y C 0.863 176.701 175.900 -0.104 0.000 1.176 460 Y CA -0.404 57.620 58.100 -0.126 0.000 1.315 460 Y CB 0.083 38.471 38.460 -0.120 0.000 1.031 460 Y HN 0.328 nan 8.280 nan 0.000 0.524 461 S N 0.781 116.356 115.700 -0.209 0.000 2.546 461 S HA 0.491 4.969 4.470 0.014 0.000 0.272 461 S C -0.276 174.252 174.600 -0.119 0.000 1.140 461 S CA -0.937 57.224 58.200 -0.064 0.000 0.920 461 S CB 0.931 64.120 63.200 -0.018 0.000 1.083 461 S HN 0.487 nan 8.310 nan 0.000 0.476 462 R N 1.487 121.967 120.500 -0.032 0.000 3.770 462 R HA -0.166 4.182 4.340 0.014 0.000 0.305 462 R C 1.041 177.250 176.300 -0.153 0.000 1.184 462 R CA 1.120 57.197 56.100 -0.039 0.000 0.823 462 R CB -1.822 28.458 30.300 -0.034 0.000 1.285 462 R HN 0.763 nan 8.270 nan 0.000 0.499 463 K N 0.336 120.623 120.400 -0.189 0.000 2.148 463 K HA -0.122 4.207 4.320 0.014 0.000 0.204 463 K C 1.345 177.761 176.600 -0.307 0.000 1.050 463 K CA 1.520 57.633 56.287 -0.292 0.000 0.942 463 K CB -0.050 32.297 32.500 -0.255 0.000 0.724 463 K HN 0.370 nan 8.250 nan 0.000 0.446 464 Y N 0.773 120.887 120.300 -0.312 0.000 2.220 464 Y HA -0.149 4.408 4.550 0.011 0.000 0.291 464 Y C 2.426 177.905 175.900 -0.703 0.000 1.129 464 Y CA 1.055 58.756 58.100 -0.664 0.000 1.161 464 Y CB -0.049 37.602 38.460 -1.348 0.000 0.997 464 Y HN 0.114 nan 8.280 nan 0.000 0.522 465 Q N 0.163 119.759 119.800 -0.340 0.000 2.096 465 Q HA -0.209 4.140 4.340 0.014 0.000 0.204 465 Q C 2.493 178.387 176.000 -0.177 0.000 0.982 465 Q CA 1.925 57.656 55.803 -0.120 0.000 0.850 465 Q CB -0.481 28.265 28.738 0.012 0.000 0.901 465 Q HN 0.514 nan 8.270 nan 0.000 0.422 466 A N -0.682 121.884 122.820 -0.424 0.000 1.873 466 A HA -0.166 4.163 4.320 0.014 0.000 0.215 466 A C 1.794 179.038 177.584 -0.567 0.000 1.186 466 A CA 1.196 52.697 52.037 -0.893 0.000 0.616 466 A CB -0.935 17.111 19.000 -1.590 0.000 0.823 466 A HN 0.453 nan 8.150 nan 0.000 0.442 467 Y N 0.018 120.091 120.300 -0.379 0.000 2.224 467 Y HA -0.163 4.395 4.550 0.013 0.000 0.289 467 Y C 2.886 178.729 175.900 -0.095 0.000 1.146 467 Y CA 0.985 58.968 58.100 -0.194 0.000 1.182 467 Y CB -0.208 38.145 38.460 -0.179 0.000 0.983 467 Y HN 0.362 nan 8.280 nan 0.000 0.524 468 A N -0.754 122.093 122.820 0.045 0.000 1.933 468 A HA -0.258 4.070 4.320 0.014 0.000 0.218 468 A C 1.965 179.634 177.584 0.142 0.000 1.175 468 A CA 1.636 53.733 52.037 0.099 0.000 0.628 468 A CB -1.198 17.878 19.000 0.127 0.000 0.814 468 A HN 0.628 nan 8.150 nan 0.000 0.444 469 Y N 1.205 121.516 120.300 0.018 0.000 2.133 469 Y HA -0.191 4.368 4.550 0.015 0.000 0.287 469 Y C 2.152 178.063 175.900 0.019 0.000 1.134 469 Y CA 2.091 60.209 58.100 0.030 0.000 1.133 469 Y CB -0.277 38.191 38.460 0.014 0.000 0.987 469 Y HN 0.415 nan 8.280 nan 0.000 0.502 470 I N -1.661 119.005 120.570 0.160 0.000 2.315 470 I HA -0.199 3.980 4.170 0.014 0.000 0.248 470 I C 1.881 178.018 176.117 0.032 0.000 1.117 470 I CA 1.601 62.958 61.300 0.094 0.000 1.404 470 I CB -0.708 37.397 38.000 0.174 0.000 1.071 470 I HN 0.201 nan 8.210 nan 0.000 0.419 471 L N 1.450 122.714 121.223 0.068 0.000 2.201 471 L HA -0.093 4.255 4.340 0.014 0.000 0.212 471 L C 2.643 179.514 176.870 0.001 0.000 1.105 471 L CA 1.766 56.634 54.840 0.048 0.000 0.775 471 L CB -0.817 41.281 42.059 0.066 0.000 0.913 471 L HN 0.508 nan 8.230 nan 0.000 0.440 472 T N -3.373 111.185 114.554 0.008 0.000 3.129 472 T HA -0.005 4.354 4.350 0.014 0.000 0.251 472 T C 1.000 175.746 174.700 0.075 0.000 1.117 472 T CA -0.195 61.927 62.100 0.036 0.000 1.034 472 T CB -0.042 68.895 68.868 0.115 0.000 0.968 472 T HN 0.099 nan 8.240 nan 0.000 0.526 473 R N 0.441 120.922 120.500 -0.031 0.000 2.390 473 R HA 0.608 4.956 4.340 0.014 0.000 0.291 473 R C 1.428 177.723 176.300 -0.008 0.000 1.070 473 R CA 0.090 56.151 56.100 -0.065 0.000 1.014 473 R CB 0.540 30.649 30.300 -0.319 0.000 1.007 473 R HN 0.206 nan 8.270 nan 0.000 0.466 474 A N 3.387 126.247 122.820 0.068 0.000 2.121 474 A HA -0.044 4.284 4.320 0.014 0.000 0.218 474 A C -0.006 177.562 177.584 -0.028 0.000 1.154 474 A CA 1.110 53.142 52.037 -0.009 0.000 0.679 474 A CB -0.019 18.975 19.000 -0.010 0.000 0.795 474 A HN 0.719 nan 8.150 nan 0.000 0.458 475 E N -2.580 117.605 120.200 -0.024 0.000 2.320 475 E HA 0.556 4.915 4.350 0.014 0.000 0.264 475 E C 0.376 176.978 176.600 0.004 0.000 0.923 475 E CA 0.215 56.609 56.400 -0.011 0.000 0.796 475 E CB 1.412 31.107 29.700 -0.008 0.000 1.262 475 E HN 0.741 nan 8.360 nan 0.000 0.428 476 G N -0.624 108.195 108.800 0.032 0.000 2.796 476 G HA2 -0.124 3.844 3.960 0.014 0.000 0.226 476 G HA3 -0.124 3.844 3.960 0.014 0.000 0.226 476 G C -1.041 173.919 174.900 0.101 0.000 1.381 476 G CA -0.433 44.708 45.100 0.069 0.000 0.867 476 G HN 0.542 nan 8.290 nan 0.000 0.552 477 V N 3.037 123.045 119.914 0.157 0.000 2.482 477 V HA 0.594 4.722 4.120 0.014 0.000 0.295 477 V C -1.829 174.406 176.094 0.236 0.000 1.026 477 V CA -0.694 61.731 62.300 0.208 0.000 0.856 477 V CB 2.224 34.226 31.823 0.299 0.000 1.001 477 V HN 0.812 nan 8.190 nan 0.000 0.424 478 P HA 0.436 nan 4.420 nan 0.000 0.279 478 P C -0.667 176.831 177.300 0.330 0.000 1.252 478 P CA -0.270 62.985 63.100 0.259 0.000 0.811 478 P CB 1.368 33.191 31.700 0.204 0.000 1.035 479 T N 0.688 115.481 114.554 0.398 0.000 2.841 479 T HA 0.344 4.702 4.350 0.014 0.000 0.285 479 T C -0.209 174.776 174.700 0.475 0.000 0.991 479 T CA -0.451 61.918 62.100 0.449 0.000 0.966 479 T CB 1.021 70.207 68.868 0.531 0.000 0.962 479 T HN 0.069 nan 8.240 nan 0.000 0.438 480 V N 3.758 123.931 119.914 0.432 0.000 2.439 480 V HA 0.298 4.426 4.120 0.014 0.000 0.282 480 V C -0.548 175.747 176.094 0.334 0.000 1.039 480 V CA -0.921 61.624 62.300 0.408 0.000 0.913 480 V CB 0.757 32.691 31.823 0.185 0.000 0.983 480 V HN 0.771 nan 8.190 nan 0.000 0.460 481 Y N 4.347 124.798 120.300 0.252 0.000 2.365 481 Y HA 0.118 4.675 4.550 0.013 0.000 0.340 481 Y C 0.850 176.829 175.900 0.132 0.000 1.016 481 Y CA -1.348 56.842 58.100 0.149 0.000 1.196 481 Y CB 0.590 39.169 38.460 0.199 0.000 1.167 481 Y HN 0.860 nan 8.280 nan 0.000 0.509 482 W N 6.053 127.268 121.300 -0.142 0.000 2.290 482 W HA -0.336 4.332 4.660 0.014 0.000 0.311 482 W C 1.527 177.767 176.519 -0.465 0.000 1.238 482 W CA 2.734 59.951 57.345 -0.213 0.000 1.255 482 W CB 0.025 29.424 29.460 -0.102 0.000 1.145 482 W HN 0.743 nan 8.180 nan 0.000 0.506 483 K N 0.176 120.080 120.400 -0.825 0.000 2.097 483 K HA -0.193 4.136 4.320 0.014 0.000 0.206 483 K C 1.549 177.744 176.600 -0.675 0.000 1.049 483 K CA 1.954 57.589 56.287 -1.088 0.000 0.933 483 K CB -0.363 31.253 32.500 -1.473 0.000 0.717 483 K HN -0.095 nan 8.250 nan 0.000 0.442 484 D N -0.530 119.705 120.400 -0.275 0.000 2.178 484 D HA -0.177 4.471 4.640 0.014 0.000 0.201 484 D C 1.493 177.760 176.300 -0.056 0.000 0.980 484 D CA 1.082 55.137 54.000 0.092 0.000 0.842 484 D CB -0.095 40.858 40.800 0.254 0.000 0.948 484 D HN 0.347 nan 8.370 nan 0.000 0.472 485 Y N -1.402 118.674 120.300 -0.373 0.000 2.397 485 Y HA -0.058 4.500 4.550 0.013 0.000 0.292 485 Y C 1.394 176.912 175.900 -0.636 0.000 1.115 485 Y CA 1.003 58.782 58.100 -0.536 0.000 1.208 485 Y CB 0.290 38.314 38.460 -0.727 0.000 1.046 485 Y HN -0.054 nan 8.280 nan 0.000 0.552 486 Y N -2.501 117.534 120.300 -0.441 0.000 2.526 486 Y HA 0.080 4.639 4.550 0.014 0.000 0.265 486 Y C 1.632 177.273 175.900 -0.431 0.000 1.092 486 Y CA -0.301 57.479 58.100 -0.534 0.000 1.277 486 Y CB 0.664 38.590 38.460 -0.890 0.000 1.228 486 Y HN -0.021 nan 8.280 nan 0.000 0.507 487 I N -1.844 118.509 120.570 -0.362 0.000 2.947 487 I HA -0.071 4.107 4.170 0.014 0.000 0.263 487 I C 1.073 177.068 176.117 -0.202 0.000 1.130 487 I CA 0.897 61.941 61.300 -0.427 0.000 1.448 487 I CB -0.913 36.587 38.000 -0.832 0.000 1.222 487 I HN 0.308 nan 8.210 nan 0.000 0.453 488 W N 1.908 123.143 121.300 -0.109 0.000 3.180 488 W HA 0.073 4.745 4.660 0.019 0.000 0.254 488 W C 0.314 176.812 176.519 -0.035 0.000 1.318 488 W CA -0.189 57.127 57.345 -0.048 0.000 1.608 488 W CB 0.146 29.578 29.460 -0.047 0.000 1.124 488 W HN 0.149 nan 8.180 nan 0.000 0.694 489 E N -0.645 119.632 120.200 0.128 0.000 2.596 489 E HA -0.245 4.113 4.350 0.014 0.000 0.272 489 E C 0.571 177.220 176.600 0.081 0.000 1.039 489 E CA 0.997 57.445 56.400 0.080 0.000 0.804 489 E CB -1.912 27.861 29.700 0.122 0.000 1.373 489 E HN 0.494 nan 8.360 nan 0.000 0.404 490 M N -0.800 118.817 119.600 0.029 0.000 2.382 490 M HA 0.077 4.565 4.480 0.014 0.000 0.247 490 M C 2.001 178.311 176.300 0.017 0.000 1.104 490 M CA 0.228 55.572 55.300 0.074 0.000 1.030 490 M CB 0.142 32.691 32.600 -0.085 0.000 1.424 490 M HN 0.043 nan 8.290 nan 0.000 0.486 491 K N 1.602 121.860 120.400 -0.237 0.000 2.049 491 K HA -0.257 4.071 4.320 0.014 0.000 0.219 491 K C 1.833 178.325 176.600 -0.180 0.000 1.056 491 K CA 1.904 57.898 56.287 -0.489 0.000 0.946 491 K CB -0.015 32.052 32.500 -0.722 0.000 0.723 491 K HN 0.202 nan 8.250 nan 0.000 0.453 492 E N -0.611 119.546 120.200 -0.072 0.000 2.086 492 E HA -0.195 4.163 4.350 0.014 0.000 0.200 492 E C 1.984 178.629 176.600 0.076 0.000 1.012 492 E CA 1.708 58.113 56.400 0.008 0.000 0.812 492 E CB -0.370 29.344 29.700 0.024 0.000 0.743 492 E HN 0.613 nan 8.360 nan 0.000 0.453 493 G N 0.671 109.567 108.800 0.160 0.000 2.394 493 G HA2 -0.164 3.804 3.960 0.014 0.000 0.215 493 G HA3 -0.164 3.804 3.960 0.014 0.000 0.215 493 G C 1.755 176.804 174.900 0.249 0.000 1.165 493 G CA 0.246 45.493 45.100 0.246 0.000 0.784 493 G HN 0.157 nan 8.290 nan 0.000 0.535 494 L N 0.504 121.851 121.223 0.205 0.000 2.083 494 L HA -0.076 4.272 4.340 0.014 0.000 0.209 494 L C 2.359 179.285 176.870 0.094 0.000 1.083 494 L CA 1.063 55.953 54.840 0.083 0.000 0.752 494 L CB -0.322 41.767 42.059 0.050 0.000 0.899 494 L HN 0.103 nan 8.230 nan 0.000 0.433 495 D N 0.159 120.627 120.400 0.114 0.000 2.178 495 D HA -0.131 4.517 4.640 0.014 0.000 0.202 495 D C 2.171 178.522 176.300 0.086 0.000 0.974 495 D CA 1.012 55.072 54.000 0.100 0.000 0.841 495 D CB 0.079 40.927 40.800 0.081 0.000 0.953 495 D HN 0.287 nan 8.370 nan 0.000 0.478 496 K N -0.014 120.450 120.400 0.107 0.000 2.155 496 K HA 0.024 4.353 4.320 0.014 0.000 0.203 496 K C 2.111 178.775 176.600 0.106 0.000 1.052 496 K CA 0.530 56.883 56.287 0.109 0.000 0.948 496 K CB 0.072 32.635 32.500 0.104 0.000 0.728 496 K HN 0.179 nan 8.250 nan 0.000 0.448 497 L N 0.644 121.933 121.223 0.110 0.000 2.240 497 L HA -0.056 4.293 4.340 0.014 0.000 0.211 497 L C 2.123 179.005 176.870 0.021 0.000 1.106 497 L CA 0.599 55.489 54.840 0.083 0.000 0.793 497 L CB -0.394 41.708 42.059 0.072 0.000 0.927 497 L HN 0.093 nan 8.230 nan 0.000 0.446 498 L N -0.630 120.579 121.223 -0.024 0.000 2.141 498 L HA -0.125 4.223 4.340 0.014 0.000 0.209 498 L C 2.597 179.419 176.870 -0.081 0.000 1.094 498 L CA 1.109 55.879 54.840 -0.117 0.000 0.763 498 L CB -0.833 41.094 42.059 -0.221 0.000 0.908 498 L HN 0.220 nan 8.230 nan 0.000 0.437 499 T N 0.031 114.594 114.554 0.015 0.000 2.737 499 T HA -0.158 4.200 4.350 0.014 0.000 0.265 499 T C 2.108 176.918 174.700 0.182 0.000 1.038 499 T CA 1.286 63.443 62.100 0.095 0.000 1.144 499 T CB -0.270 68.705 68.868 0.178 0.000 0.866 499 T HN 0.430 nan 8.240 nan 0.000 0.434 500 A N 1.867 124.789 122.820 0.169 0.000 1.884 500 A HA -0.253 4.075 4.320 0.014 0.000 0.219 500 A C 2.281 179.956 177.584 0.151 0.000 1.197 500 A CA 2.368 54.528 52.037 0.204 0.000 0.637 500 A CB -0.705 18.342 19.000 0.079 0.000 0.827 500 A HN 0.465 nan 8.150 nan 0.000 0.450 501 R N -1.067 119.441 120.500 0.013 0.000 2.075 501 R HA -0.152 4.196 4.340 0.014 0.000 0.232 501 R C 2.371 178.586 176.300 -0.142 0.000 1.126 501 R CA 1.691 57.733 56.100 -0.096 0.000 0.963 501 R CB -0.193 30.043 30.300 -0.108 0.000 0.858 501 R HN 0.412 nan 8.270 nan 0.000 0.435 502 R N -0.560 119.838 120.500 -0.169 0.000 2.092 502 R HA -0.104 4.244 4.340 0.014 0.000 0.231 502 R C 0.879 177.021 176.300 -0.264 0.000 1.119 502 R CA 1.839 57.736 56.100 -0.339 0.000 0.970 502 R CB -0.292 29.605 30.300 -0.673 0.000 0.864 502 R HN 0.433 nan 8.270 nan 0.000 0.440 503 Y N -3.024 117.295 120.300 0.031 0.000 2.430 503 Y HA 0.222 4.780 4.550 0.013 0.000 0.254 503 Y C 0.616 176.392 175.900 -0.206 0.000 1.088 503 Y CA -0.151 57.836 58.100 -0.189 0.000 1.267 503 Y CB 0.649 38.709 38.460 -0.665 0.000 1.204 503 Y HN -0.038 nan 8.280 nan 0.000 0.515 504 Y N -1.391 119.112 120.300 0.339 0.000 2.585 504 Y HA 0.435 4.993 4.550 0.015 0.000 0.272 504 Y C 1.398 177.375 175.900 0.127 0.000 1.119 504 Y CA -0.202 58.046 58.100 0.247 0.000 1.255 504 Y CB 0.325 38.874 38.460 0.147 0.000 1.284 504 Y HN -0.139 nan 8.280 nan 0.000 0.499 505 A N 0.990 123.810 122.820 0.001 0.000 3.026 505 A HA 0.386 4.714 4.320 0.014 0.000 0.272 505 A C -1.266 175.923 177.584 -0.657 0.000 1.782 505 A CA 0.429 52.303 52.037 -0.272 0.000 1.451 505 A CB -1.733 17.096 19.000 -0.285 0.000 1.081 505 A HN 0.406 nan 8.150 nan 0.000 0.611 506 Y N -0.241 119.939 120.300 -0.200 0.000 2.609 506 Y HA 0.599 5.158 4.550 0.014 0.000 0.342 506 Y C 0.910 176.482 175.900 -0.547 0.000 1.058 506 Y CA -0.074 57.737 58.100 -0.482 0.000 1.055 506 Y CB 1.557 39.623 38.460 -0.657 0.000 1.292 506 Y HN 1.029 nan 8.280 nan 0.000 0.476 507 G N 1.156 109.558 108.800 -0.663 0.000 2.750 507 G HA2 -0.185 3.783 3.960 0.014 0.000 0.228 507 G HA3 -0.185 3.783 3.960 0.014 0.000 0.228 507 G C -2.969 171.812 174.900 -0.197 0.000 1.367 507 G CA -1.367 43.531 45.100 -0.337 0.000 0.871 507 G HN 0.452 nan 8.290 nan 0.000 0.560 508 P HA 0.385 nan 4.420 nan 0.000 0.266 508 P C 0.698 177.741 177.300 -0.429 0.000 1.186 508 P CA 1.071 63.994 63.100 -0.295 0.000 0.767 508 P CB 0.425 31.920 31.700 -0.342 0.000 0.820 509 G N 1.280 109.801 108.800 -0.465 0.000 2.412 509 G HA2 0.578 4.547 3.960 0.014 0.000 0.318 509 G HA3 0.578 4.547 3.960 0.014 0.000 0.318 509 G C -1.703 172.800 174.900 -0.663 0.000 1.146 509 G CA -0.278 44.543 45.100 -0.464 0.000 0.882 509 G HN 0.375 nan 8.290 nan 0.000 0.501 510 Y N 0.182 120.344 120.300 -0.231 0.000 2.396 510 Y HA 0.298 4.856 4.550 0.013 0.000 0.332 510 Y C 0.214 176.104 175.900 -0.018 0.000 1.034 510 Y CA -1.071 56.969 58.100 -0.099 0.000 1.057 510 Y CB 1.993 40.358 38.460 -0.158 0.000 1.220 510 Y HN 0.390 nan 8.280 nan 0.000 0.440 511 E N 2.271 122.603 120.200 0.219 0.000 2.345 511 E HA 0.452 4.811 4.350 0.014 0.000 0.259 511 E C -0.152 176.494 176.600 0.077 0.000 1.117 511 E CA -0.472 56.032 56.400 0.173 0.000 0.913 511 E CB 1.904 31.711 29.700 0.178 0.000 1.057 511 E HN 0.458 nan 8.360 nan 0.000 0.432 512 V N -1.481 118.440 119.914 0.012 0.000 3.234 512 V HA 0.397 4.525 4.120 0.014 0.000 0.317 512 V C 0.218 176.332 176.094 0.033 0.000 1.147 512 V CA -0.558 61.732 62.300 -0.017 0.000 1.037 512 V CB 1.770 33.545 31.823 -0.081 0.000 1.148 512 V HN 0.689 nan 8.190 nan 0.000 0.455 513 D N -0.128 120.301 120.400 0.049 0.000 2.433 513 D HA 0.069 4.717 4.640 0.014 0.000 0.211 513 D C 0.503 176.854 176.300 0.085 0.000 1.114 513 D CA 0.556 54.601 54.000 0.076 0.000 0.837 513 D CB -0.431 40.420 40.800 0.086 0.000 0.984 513 D HN 0.733 nan 8.370 nan 0.000 0.505 514 N N 0.299 119.046 118.700 0.078 0.000 2.351 514 N HA 0.083 4.831 4.740 0.014 0.000 0.254 514 N C -0.672 174.881 175.510 0.072 0.000 1.241 514 N CA -0.608 52.493 53.050 0.085 0.000 0.883 514 N CB -1.000 37.549 38.487 0.104 0.000 1.202 514 N HN -0.007 nan 8.380 nan 0.000 0.512 515 N N 0.562 119.305 118.700 0.072 0.000 2.297 515 N HA 0.178 4.927 4.740 0.014 0.000 0.232 515 N C -0.438 175.109 175.510 0.062 0.000 1.311 515 N CA 0.439 53.535 53.050 0.077 0.000 0.897 515 N CB 0.406 38.973 38.487 0.134 0.000 1.137 515 N HN 0.506 nan 8.380 nan 0.000 0.449 516 D N -1.843 118.555 120.400 -0.002 0.000 3.236 516 D HA 0.361 5.010 4.640 0.014 0.000 0.325 516 D C 0.126 176.176 176.300 -0.415 0.000 1.352 516 D CA -0.602 53.333 54.000 -0.109 0.000 0.979 516 D CB -0.150 40.632 40.800 -0.029 0.000 1.410 516 D HN 0.322 nan 8.370 nan 0.000 0.588 517 A N -0.686 121.839 122.820 -0.492 0.000 1.933 517 A HA -0.070 4.258 4.320 0.014 0.000 0.218 517 A C 1.140 178.540 177.584 -0.307 0.000 1.175 517 A CA 2.045 53.668 52.037 -0.690 0.000 0.628 517 A CB -0.653 18.217 19.000 -0.216 0.000 0.814 517 A HN 0.529 nan 8.150 nan 0.000 0.444 518 D N -1.629 118.687 120.400 -0.140 0.000 2.454 518 D HA 0.270 4.918 4.640 0.014 0.000 0.214 518 D C 0.082 176.399 176.300 0.028 0.000 1.088 518 D CA 0.232 54.213 54.000 -0.031 0.000 0.855 518 D CB 0.589 41.389 40.800 -0.002 0.000 1.025 518 D HN 0.396 nan 8.370 nan 0.000 0.502 519 I N 0.740 121.331 120.570 0.035 0.000 2.466 519 I HA 0.247 4.426 4.170 0.014 0.000 0.289 519 I C -1.337 174.864 176.117 0.141 0.000 1.026 519 I CA -1.142 60.215 61.300 0.095 0.000 1.078 519 I CB 2.220 40.269 38.000 0.081 0.000 1.249 519 I HN -0.218 nan 8.210 nan 0.000 0.429 520 Y N 5.758 126.099 120.300 0.068 0.000 2.341 520 Y HA 0.613 5.171 4.550 0.012 0.000 0.338 520 Y C -0.548 175.422 175.900 0.117 0.000 0.965 520 Y CA -0.318 57.832 58.100 0.083 0.000 1.108 520 Y CB 1.578 40.087 38.460 0.081 0.000 1.180 520 Y HN 0.571 nan 8.280 nan 0.000 0.458 521 S N 4.989 120.424 115.700 -0.440 0.000 2.677 521 S HA 0.657 5.136 4.470 0.014 0.000 0.304 521 S C -2.056 172.227 174.600 -0.529 0.000 1.108 521 S CA -0.715 57.279 58.200 -0.343 0.000 0.944 521 S CB 2.105 65.202 63.200 -0.172 0.000 1.127 521 S HN 0.615 nan 8.310 nan 0.000 0.511 522 Y N -0.152 119.908 120.300 -0.400 0.000 2.565 522 Y HA 0.546 5.105 4.550 0.014 0.000 0.330 522 Y C -2.155 173.628 175.900 -0.196 0.000 1.150 522 Y CA -0.817 57.107 58.100 -0.295 0.000 1.055 522 Y CB 0.684 39.034 38.460 -0.184 0.000 1.337 522 Y HN 0.488 nan 8.280 nan 0.000 0.457 523 V N 6.451 125.987 119.914 -0.631 0.000 2.588 523 V HA 0.676 4.805 4.120 0.014 0.000 0.304 523 V C -0.861 174.868 176.094 -0.608 0.000 1.042 523 V CA -0.946 61.047 62.300 -0.511 0.000 0.877 523 V CB 1.834 33.475 31.823 -0.304 0.000 0.996 523 V HN 0.614 nan 8.190 nan 0.000 0.425 524 R N 2.262 122.522 120.500 -0.401 0.000 2.343 524 R HA 0.367 4.715 4.340 0.014 0.000 0.320 524 R C 1.096 177.346 176.300 -0.084 0.000 0.956 524 R CA -0.166 55.780 56.100 -0.257 0.000 0.836 524 R CB 1.655 31.831 30.300 -0.206 0.000 1.151 524 R HN 0.868 nan 8.270 nan 0.000 0.450 525 S N 0.852 116.558 115.700 0.010 0.000 2.461 525 S HA 0.069 4.547 4.470 0.014 0.000 0.228 525 S C 0.929 175.569 174.600 0.066 0.000 1.005 525 S CA 0.434 58.676 58.200 0.070 0.000 0.942 525 S CB -0.105 63.205 63.200 0.183 0.000 0.776 525 S HN 0.974 nan 8.310 nan 0.000 0.514 526 G N 0.409 109.222 108.800 0.022 0.000 2.730 526 G HA2 -0.104 3.864 3.960 0.014 0.000 0.686 526 G HA3 -0.104 3.864 3.960 0.014 0.000 0.686 526 G C -0.581 174.336 174.900 0.029 0.000 1.343 526 G CA -0.735 44.384 45.100 0.032 0.000 0.826 526 G HN 0.377 nan 8.290 nan 0.000 0.582 527 F N 1.524 121.533 119.950 0.099 0.000 2.459 527 F HA 0.380 4.916 4.527 0.015 0.000 0.346 527 F C -0.106 175.720 175.800 0.044 0.000 1.128 527 F CA -0.998 57.038 58.000 0.059 0.000 1.268 527 F CB 1.556 40.568 39.000 0.021 0.000 1.161 527 F HN 0.339 nan 8.300 nan 0.000 0.583 528 P HA -0.030 nan 4.420 nan 0.000 0.240 528 P C -0.283 177.078 177.300 0.101 0.000 1.190 528 P CA 0.760 63.947 63.100 0.145 0.000 0.781 528 P CB 0.057 31.825 31.700 0.113 0.000 0.931 529 D N -0.856 119.598 120.400 0.090 0.000 2.559 529 D HA 0.196 4.845 4.640 0.014 0.000 0.234 529 D C -0.134 176.178 176.300 0.019 0.000 1.226 529 D CA -0.714 53.302 54.000 0.025 0.000 0.830 529 D CB -0.109 40.675 40.800 -0.028 0.000 1.028 529 D HN -0.068 nan 8.370 nan 0.000 0.492 530 V N 0.360 120.323 119.914 0.082 0.000 2.638 530 V HA 0.751 4.879 4.120 0.014 0.000 0.306 530 V C -0.239 175.902 176.094 0.079 0.000 1.052 530 V CA -1.432 60.912 62.300 0.073 0.000 0.885 530 V CB 1.860 33.760 31.823 0.128 0.000 0.999 530 V HN 0.298 nan 8.190 nan 0.000 0.424 531 A N 2.717 125.567 122.820 0.049 0.000 2.301 531 A HA 0.715 5.044 4.320 0.014 0.000 0.298 531 A C 1.152 178.769 177.584 0.055 0.000 1.185 531 A CA 0.390 52.455 52.037 0.046 0.000 0.830 531 A CB 0.528 19.544 19.000 0.027 0.000 1.112 531 A HN 2.252 nan 8.150 nan 0.000 0.508 532 G N 2.031 110.872 108.800 0.068 0.000 2.157 532 G HA2 -0.189 3.779 3.960 0.014 0.000 0.239 532 G HA3 -0.189 3.779 3.960 0.014 0.000 0.239 532 G C -0.127 174.883 174.900 0.184 0.000 0.982 532 G CA 0.455 45.614 45.100 0.098 0.000 0.650 532 G HN 1.226 nan 8.290 nan 0.000 0.527 533 D N -0.039 120.463 120.400 0.170 0.000 2.487 533 D HA 0.728 5.376 4.640 0.014 0.000 0.262 533 D C 0.820 177.283 176.300 0.272 0.000 1.130 533 D CA 0.343 54.488 54.000 0.242 0.000 1.038 533 D CB 0.968 41.866 40.800 0.162 0.000 1.142 533 D HN 1.627 nan 8.370 nan 0.000 0.575 534 G N -1.432 107.540 108.800 0.287 0.000 2.663 534 G HA2 0.469 4.437 3.960 0.014 0.000 0.686 534 G HA3 0.469 4.437 3.960 0.014 0.000 0.686 534 G C -1.223 173.816 174.900 0.232 0.000 1.288 534 G CA -0.304 44.916 45.100 0.199 0.000 0.836 534 G HN 1.426 nan 8.290 nan 0.000 0.584 535 L N -3.499 117.792 121.223 0.114 0.000 2.869 535 L HA 0.897 5.246 4.340 0.014 0.000 0.265 535 L C -0.831 175.969 176.870 -0.115 0.000 1.011 535 L CA -1.258 53.617 54.840 0.057 0.000 0.913 535 L CB 1.443 43.519 42.059 0.028 0.000 1.490 535 L HN 1.256 nan 8.230 nan 0.000 0.410 536 V N 1.993 121.802 119.914 -0.176 0.000 2.525 536 V HA 0.629 4.757 4.120 0.014 0.000 0.299 536 V C -0.664 175.363 176.094 -0.112 0.000 1.034 536 V CA -0.372 61.722 62.300 -0.344 0.000 0.863 536 V CB 1.593 32.873 31.823 -0.904 0.000 0.999 536 V HN 0.891 nan 8.190 nan 0.000 0.423 537 L N 6.324 127.519 121.223 -0.047 0.000 2.325 537 L HA 0.753 5.101 4.340 0.014 0.000 0.279 537 L C -0.413 176.514 176.870 0.096 0.000 1.054 537 L CA 0.252 55.146 54.840 0.090 0.000 0.804 537 L CB 1.305 43.473 42.059 0.182 0.000 1.200 537 L HN 0.671 nan 8.230 nan 0.000 0.436 538 M N 7.287 126.996 119.600 0.181 0.000 2.263 538 M HA 0.500 4.988 4.480 0.014 0.000 0.295 538 M C -0.916 175.532 176.300 0.248 0.000 1.028 538 M CA -0.483 54.930 55.300 0.189 0.000 0.921 538 M CB 1.938 34.664 32.600 0.210 0.000 1.601 538 M HN 0.626 nan 8.290 nan 0.000 0.440 539 I N -0.844 119.889 120.570 0.271 0.000 2.846 539 I HA 0.947 5.125 4.170 0.014 0.000 0.307 539 I C -0.727 175.529 176.117 0.231 0.000 1.053 539 I CA -0.557 60.916 61.300 0.287 0.000 1.050 539 I CB 2.349 40.533 38.000 0.306 0.000 1.239 539 I HN 0.663 nan 8.210 nan 0.000 0.439 540 S N 1.425 117.245 115.700 0.200 0.000 2.541 540 S HA 0.372 4.851 4.470 0.014 0.000 0.271 540 S C -0.659 174.015 174.600 0.124 0.000 1.133 540 S CA -0.477 57.811 58.200 0.146 0.000 0.876 540 S CB 1.741 65.012 63.200 0.118 0.000 1.105 540 S HN 0.883 nan 8.310 nan 0.000 0.470 541 D N 1.829 122.284 120.400 0.092 0.000 2.368 541 D HA 0.219 4.867 4.640 0.014 0.000 0.218 541 D C 0.891 177.223 176.300 0.052 0.000 1.112 541 D CA -0.168 53.873 54.000 0.068 0.000 0.834 541 D CB -0.355 40.475 40.800 0.051 0.000 0.953 541 D HN 0.569 nan 8.370 nan 0.000 0.505 542 G N -0.023 108.809 108.800 0.054 0.000 2.544 542 G HA2 0.331 4.299 3.960 0.014 0.000 0.242 542 G HA3 0.331 4.299 3.960 0.014 0.000 0.242 542 G C 0.764 175.689 174.900 0.042 0.000 1.247 542 G CA 0.237 45.362 45.100 0.042 0.000 0.840 542 G HN 0.231 nan 8.290 nan 0.000 0.578 543 T N -2.672 111.902 114.554 0.034 0.000 3.111 543 T HA 0.122 4.481 4.350 0.014 0.000 0.284 543 T C 1.936 176.652 174.700 0.026 0.000 0.983 543 T CA 0.609 62.728 62.100 0.032 0.000 0.900 543 T CB 0.079 68.966 68.868 0.032 0.000 1.132 543 T HN 0.590 nan 8.240 nan 0.000 0.531 544 S N 1.238 116.952 115.700 0.024 0.000 2.474 544 S HA 0.293 4.771 4.470 0.014 0.000 0.235 544 S C 2.176 176.787 174.600 0.018 0.000 0.997 544 S CA 0.721 58.933 58.200 0.021 0.000 0.949 544 S CB -0.873 62.340 63.200 0.021 0.000 0.766 544 S HN 1.453 nan 8.310 nan 0.000 0.517 545 G N 1.924 110.734 108.800 0.017 0.000 2.175 545 G HA2 -0.252 3.717 3.960 0.014 0.000 0.244 545 G HA3 -0.252 3.717 3.960 0.014 0.000 0.244 545 G C -0.153 174.754 174.900 0.010 0.000 0.982 545 G CA 0.076 45.183 45.100 0.012 0.000 0.641 545 G HN 0.884 nan 8.290 nan 0.000 0.527 546 N N -0.197 118.511 118.700 0.014 0.000 2.432 546 N HA 0.623 5.371 4.740 0.014 0.000 0.292 546 N C -0.148 175.375 175.510 0.023 0.000 1.193 546 N CA -0.491 52.569 53.050 0.016 0.000 0.878 546 N CB 1.923 40.420 38.487 0.017 0.000 1.252 546 N HN 0.181 nan 8.380 nan 0.000 0.520 547 V N -0.266 119.665 119.914 0.028 0.000 2.649 547 V HA 0.641 4.770 4.120 0.014 0.000 0.292 547 V C 0.412 176.536 176.094 0.049 0.000 1.055 547 V CA -0.414 61.913 62.300 0.045 0.000 1.023 547 V CB 0.534 32.389 31.823 0.053 0.000 0.992 547 V HN 1.008 nan 8.190 nan 0.000 0.480 548 A N 3.125 125.985 122.820 0.067 0.000 2.486 548 A HA 0.889 5.217 4.320 0.014 0.000 0.300 548 A C -0.133 177.504 177.584 0.089 0.000 1.048 548 A CA -0.062 52.015 52.037 0.067 0.000 0.696 548 A CB 1.873 20.911 19.000 0.063 0.000 1.278 548 A HN 1.078 nan 8.150 nan 0.000 0.405 549 G N 0.261 109.108 108.800 0.079 0.000 2.511 549 G HA2 0.656 4.624 3.960 0.014 0.000 0.318 549 G HA3 0.656 4.624 3.960 0.014 0.000 0.318 549 G C -1.249 173.718 174.900 0.111 0.000 1.210 549 G CA -0.655 44.498 45.100 0.090 0.000 0.969 549 G HN 0.603 nan 8.290 nan 0.000 0.484 550 K N -0.109 120.378 120.400 0.145 0.000 2.535 550 K HA 0.232 4.560 4.320 0.014 0.000 0.251 550 K C -1.511 175.254 176.600 0.275 0.000 0.942 550 K CA -0.704 55.690 56.287 0.178 0.000 0.798 550 K CB 1.533 34.107 32.500 0.124 0.000 1.267 550 K HN 0.591 nan 8.250 nan 0.000 0.434 551 W N 7.330 128.670 121.300 0.067 0.000 2.481 551 W HA 0.363 5.030 4.660 0.012 0.000 0.320 551 W C -0.936 175.690 176.519 0.177 0.000 1.209 551 W CA -0.381 57.034 57.345 0.117 0.000 1.400 551 W CB 0.254 29.767 29.460 0.088 0.000 1.361 551 W HN 0.428 nan 8.180 nan 0.000 0.456 552 I N 5.535 126.013 120.570 -0.154 0.000 2.569 552 I HA 0.086 4.264 4.170 0.014 0.000 0.296 552 I C 0.147 175.883 176.117 -0.635 0.000 1.028 552 I CA -0.911 60.218 61.300 -0.286 0.000 1.082 552 I CB 1.893 39.721 38.000 -0.285 0.000 1.264 552 I HN 0.299 nan 8.210 nan 0.000 0.429 553 N N 2.950 121.096 118.700 -0.924 0.000 2.401 553 N HA 0.049 4.797 4.740 0.014 0.000 0.255 553 N C 0.805 175.918 175.510 -0.662 0.000 1.110 553 N CA 0.034 52.387 53.050 -1.161 0.000 0.949 553 N CB 1.001 38.729 38.487 -1.264 0.000 1.110 553 N HN 0.632 nan 8.380 nan 0.000 0.490 554 S N 3.432 118.826 115.700 -0.510 0.000 2.496 554 S HA 0.049 4.527 4.470 0.014 0.000 0.224 554 S C 0.780 175.227 174.600 -0.256 0.000 0.996 554 S CA 0.019 57.981 58.200 -0.397 0.000 0.927 554 S CB 0.035 63.046 63.200 -0.316 0.000 0.774 554 S HN 0.680 nan 8.310 nan 0.000 0.524 555 R N 0.201 120.538 120.500 -0.272 0.000 3.963 555 R HA -0.111 4.237 4.340 0.014 0.000 0.394 555 R C -0.852 175.419 176.300 -0.050 0.000 1.131 555 R CA 1.306 57.289 56.100 -0.195 0.000 1.059 555 R CB -2.466 27.690 30.300 -0.240 0.000 1.614 555 R HN 0.719 nan 8.270 nan 0.000 0.546 556 Q N -0.247 119.565 119.800 0.020 0.000 2.616 556 Q HA 0.332 4.680 4.340 0.014 0.000 0.250 556 Q C -2.591 173.473 176.000 0.108 0.000 0.991 556 Q CA -2.001 53.863 55.803 0.102 0.000 0.707 556 Q CB 2.510 31.380 28.738 0.219 0.000 1.247 556 Q HN -0.071 nan 8.270 nan 0.000 0.491 557 P HA -0.080 nan 4.420 nan 0.000 0.267 557 P C -0.576 176.768 177.300 0.072 0.000 1.200 557 P CA 0.229 63.365 63.100 0.060 0.000 0.772 557 P CB 0.449 32.175 31.700 0.043 0.000 0.855 558 D N -0.170 120.273 120.400 0.073 0.000 2.697 558 D HA -0.136 4.512 4.640 0.014 0.000 0.235 558 D C -0.640 175.698 176.300 0.064 0.000 1.167 558 D CA 1.350 55.389 54.000 0.064 0.000 0.656 558 D CB -1.514 39.314 40.800 0.047 0.000 1.025 558 D HN 0.277 nan 8.370 nan 0.000 0.419 559 T N 0.485 115.101 114.554 0.103 0.000 2.861 559 T HA 0.347 4.705 4.350 0.014 0.000 0.287 559 T C 0.025 174.776 174.700 0.084 0.000 1.003 559 T CA -0.721 61.412 62.100 0.054 0.000 0.977 559 T CB 2.634 71.521 68.868 0.033 0.000 0.996 559 T HN 0.091 nan 8.240 nan 0.000 0.448 560 E N 2.328 122.513 120.200 -0.026 0.000 2.200 560 E HA 0.473 4.831 4.350 0.014 0.000 0.283 560 E C -1.233 175.328 176.600 -0.064 0.000 1.015 560 E CA -0.397 56.026 56.400 0.039 0.000 0.819 560 E CB 0.550 30.276 29.700 0.044 0.000 1.081 560 E HN 0.396 nan 8.360 nan 0.000 0.397 561 F N 3.448 123.458 119.950 0.101 0.000 2.561 561 F HA 0.431 4.967 4.527 0.015 0.000 0.321 561 F C -0.458 175.503 175.800 0.268 0.000 1.065 561 F CA -0.658 57.473 58.000 0.218 0.000 0.934 561 F CB 1.317 40.534 39.000 0.361 0.000 1.215 561 F HN 0.423 nan 8.300 nan 0.000 0.471 562 Y N -0.695 119.777 120.300 0.287 0.000 2.581 562 Y HA 0.591 5.149 4.550 0.014 0.000 0.345 562 Y C -1.606 174.236 175.900 -0.097 0.000 1.036 562 Y CA -1.506 56.660 58.100 0.111 0.000 1.042 562 Y CB 1.467 39.652 38.460 -0.458 0.000 1.289 562 Y HN 0.504 nan 8.280 nan 0.000 0.471 563 D N 3.426 123.375 120.400 -0.752 0.000 2.396 563 D HA 0.141 4.790 4.640 0.014 0.000 0.225 563 D C 0.382 176.225 176.300 -0.762 0.000 1.121 563 D CA -0.613 52.672 54.000 -1.192 0.000 0.853 563 D CB 1.219 41.066 40.800 -1.588 0.000 1.043 563 D HN 0.684 nan 8.370 nan 0.000 0.500 564 L N 2.413 123.162 121.223 -0.791 0.000 2.622 564 L HA 0.142 4.491 4.340 0.014 0.000 0.233 564 L C 1.637 178.323 176.870 -0.306 0.000 1.156 564 L CA 1.093 55.630 54.840 -0.504 0.000 0.866 564 L CB -1.745 40.038 42.059 -0.460 0.000 0.980 564 L HN 0.411 nan 8.230 nan 0.000 0.448 565 T N -4.178 110.120 114.554 -0.428 0.000 3.067 565 T HA 0.323 4.681 4.350 0.014 0.000 0.261 565 T C 1.610 175.903 174.700 -0.678 0.000 1.110 565 T CA 0.518 62.267 62.100 -0.586 0.000 1.113 565 T CB -0.412 67.949 68.868 -0.845 0.000 0.917 565 T HN 0.757 nan 8.240 nan 0.000 0.499 566 G N 0.553 109.092 108.800 -0.434 0.000 2.143 566 G HA2 -0.308 3.660 3.960 0.014 0.000 0.249 566 G HA3 -0.308 3.660 3.960 0.014 0.000 0.249 566 G C 0.470 175.239 174.900 -0.219 0.000 0.981 566 G CA 0.685 45.631 45.100 -0.257 0.000 0.665 566 G HN 0.688 nan 8.290 nan 0.000 0.528 567 H N -0.820 118.087 119.070 -0.272 0.000 2.355 567 H HA 0.267 4.834 4.556 0.018 0.000 0.303 567 H C 1.213 176.458 175.328 -0.138 0.000 1.061 567 H CA 0.691 56.588 56.048 -0.252 0.000 1.368 567 H CB 0.351 29.880 29.762 -0.389 0.000 1.412 567 H HN 0.325 nan 8.280 nan 0.000 0.523 568 I N 1.637 122.202 120.570 -0.007 0.000 2.353 568 I HA 0.088 4.267 4.170 0.014 0.000 0.293 568 I C -0.041 176.122 176.117 0.077 0.000 0.992 568 I CA -0.115 61.230 61.300 0.075 0.000 1.268 568 I CB 1.522 39.663 38.000 0.235 0.000 1.387 568 I HN 0.131 nan 8.210 nan 0.000 0.478 569 K N 5.293 125.750 120.400 0.095 0.000 3.129 569 K HA 0.357 4.685 4.320 0.014 0.000 0.224 569 K C -0.348 176.304 176.600 0.085 0.000 1.249 569 K CA -0.059 56.266 56.287 0.063 0.000 1.177 569 K CB 0.516 33.020 32.500 0.005 0.000 1.393 569 K HN 0.555 nan 8.250 nan 0.000 0.459 570 E N -0.576 119.759 120.200 0.225 0.000 2.429 570 E HA 0.343 4.702 4.350 0.014 0.000 0.276 570 E C -0.881 176.029 176.600 0.516 0.000 0.953 570 E CA -0.863 55.677 56.400 0.232 0.000 0.787 570 E CB 1.922 31.750 29.700 0.212 0.000 1.307 570 E HN 0.272 nan 8.360 nan 0.000 0.458 571 H N -0.638 118.556 119.070 0.206 0.000 2.676 571 H HA 0.649 5.213 4.556 0.013 0.000 0.352 571 H C -0.966 174.400 175.328 0.064 0.000 1.193 571 H CA -1.250 54.955 56.048 0.262 0.000 1.243 571 H CB 2.058 31.928 29.762 0.181 0.000 1.751 571 H HN 0.037 nan 8.280 nan 0.000 0.567 572 V N 1.556 121.533 119.914 0.105 0.000 2.623 572 V HA 0.194 4.322 4.120 0.014 0.000 0.304 572 V C -0.434 175.627 176.094 -0.055 0.000 1.054 572 V CA -0.667 61.493 62.300 -0.235 0.000 0.882 572 V CB 1.914 33.174 31.823 -0.938 0.000 1.002 572 V HN 0.795 nan 8.190 nan 0.000 0.424 573 T N 3.173 117.693 114.554 -0.055 0.000 2.779 573 T HA 0.513 4.872 4.350 0.014 0.000 0.280 573 T C 0.308 175.005 174.700 -0.005 0.000 0.987 573 T CA -0.366 61.759 62.100 0.042 0.000 0.966 573 T CB 1.471 70.367 68.868 0.047 0.000 0.933 573 T HN 0.941 nan 8.240 nan 0.000 0.442 574 T N 0.756 115.354 114.554 0.073 0.000 2.754 574 T HA 0.493 4.852 4.350 0.014 0.000 0.286 574 T C 0.127 174.856 174.700 0.048 0.000 0.997 574 T CA -0.821 61.290 62.100 0.017 0.000 0.982 574 T CB 0.637 69.560 68.868 0.092 0.000 1.027 574 T HN 0.615 nan 8.240 nan 0.000 0.529 575 D N -0.822 119.612 120.400 0.058 0.000 2.564 575 D HA 0.289 4.937 4.640 0.014 0.000 0.273 575 D C 1.467 177.818 176.300 0.085 0.000 1.192 575 D CA -0.368 53.687 54.000 0.092 0.000 1.080 575 D CB 0.132 41.024 40.800 0.152 0.000 1.160 575 D HN 0.491 nan 8.370 nan 0.000 0.607 576 S N -1.248 114.502 115.700 0.084 0.000 2.469 576 S HA -0.143 4.335 4.470 0.014 0.000 0.238 576 S C 1.117 175.762 174.600 0.075 0.000 0.998 576 S CA 0.834 59.075 58.200 0.069 0.000 0.957 576 S CB -0.604 62.630 63.200 0.057 0.000 0.764 576 S HN 0.602 nan 8.310 nan 0.000 0.514 577 E N 0.601 120.869 120.200 0.113 0.000 2.452 577 E HA 0.353 4.712 4.350 0.014 0.000 0.197 577 E C 1.321 177.967 176.600 0.078 0.000 1.022 577 E CA 0.273 56.755 56.400 0.138 0.000 0.890 577 E CB 0.177 30.031 29.700 0.257 0.000 0.918 577 E HN 0.612 nan 8.360 nan 0.000 0.496 578 G N 0.444 109.271 108.800 0.044 0.000 2.179 578 G HA2 -0.259 3.710 3.960 0.014 0.000 0.220 578 G HA3 -0.259 3.710 3.960 0.014 0.000 0.220 578 G C -0.335 174.451 174.900 -0.190 0.000 0.990 578 G CA -0.468 44.589 45.100 -0.071 0.000 0.646 578 G HN 0.188 nan 8.290 nan 0.000 0.517 579 Y N 1.014 121.155 120.300 -0.265 0.000 2.299 579 Y HA 0.531 5.089 4.550 0.013 0.000 0.326 579 Y C 1.062 176.482 175.900 -0.801 0.000 1.164 579 Y CA 0.866 58.583 58.100 -0.639 0.000 1.234 579 Y CB 1.825 39.802 38.460 -0.805 0.000 1.219 579 Y HN 0.400 nan 8.280 nan 0.000 0.497 580 G N 1.823 110.127 108.800 -0.827 0.000 2.690 580 G HA2 0.140 4.109 3.960 0.014 0.000 0.291 580 G HA3 0.140 4.109 3.960 0.014 0.000 0.291 580 G C -1.632 172.850 174.900 -0.697 0.000 1.403 580 G CA -1.083 43.518 45.100 -0.832 0.000 0.864 580 G HN 0.598 nan 8.290 nan 0.000 0.480 581 N N 0.883 119.460 118.700 -0.205 0.000 2.719 581 N HA 0.245 4.993 4.740 0.014 0.000 0.243 581 N C -0.766 174.538 175.510 -0.343 0.000 1.104 581 N CA -0.276 52.808 53.050 0.056 0.000 0.981 581 N CB 0.140 38.780 38.487 0.254 0.000 1.290 581 N HN 0.165 nan 8.380 nan 0.000 0.513 582 F N 1.980 121.737 119.950 -0.321 0.000 2.380 582 F HA 0.371 4.906 4.527 0.012 0.000 0.325 582 F C 0.948 176.587 175.800 -0.270 0.000 1.136 582 F CA -0.113 57.514 58.000 -0.622 0.000 1.171 582 F CB 0.937 39.496 39.000 -0.735 0.000 1.230 582 F HN 0.091 nan 8.300 nan 0.000 0.554 583 K N 0.773 121.230 120.400 0.095 0.000 2.395 583 K HA 0.803 5.131 4.320 0.014 0.000 0.247 583 K C -1.614 175.256 176.600 0.448 0.000 0.973 583 K CA -1.084 55.379 56.287 0.293 0.000 0.828 583 K CB 2.972 35.609 32.500 0.228 0.000 1.272 583 K HN 0.415 nan 8.250 nan 0.000 0.439 584 V N 2.204 122.272 119.914 0.256 0.000 3.147 584 V HA 0.481 4.609 4.120 0.014 0.000 0.306 584 V C -1.476 174.670 176.094 0.087 0.000 1.209 584 V CA -0.930 61.473 62.300 0.172 0.000 1.023 584 V CB 2.120 34.043 31.823 0.166 0.000 1.059 584 V HN 0.628 nan 8.190 nan 0.000 0.435 585 I N 4.184 124.760 120.570 0.010 0.000 2.365 585 I HA 0.394 4.573 4.170 0.014 0.000 0.291 585 I C 0.269 176.381 176.117 -0.010 0.000 1.004 585 I CA -0.494 60.792 61.300 -0.024 0.000 1.311 585 I CB 1.316 39.247 38.000 -0.115 0.000 1.401 585 I HN 0.497 nan 8.210 nan 0.000 0.491 586 K N 5.659 126.067 120.400 0.013 0.000 2.111 586 K HA 0.200 4.528 4.320 0.014 0.000 0.249 586 K C -0.267 176.343 176.600 0.017 0.000 1.157 586 K CA -0.120 56.182 56.287 0.026 0.000 1.048 586 K CB 0.156 32.676 32.500 0.032 0.000 1.498 586 K HN 0.727 nan 8.250 nan 0.000 0.344 587 S N -0.615 115.093 115.700 0.014 0.000 2.579 587 S HA 0.115 4.593 4.470 0.014 0.000 0.272 587 S C 0.931 175.566 174.600 0.058 0.000 1.141 587 S CA -0.954 57.260 58.200 0.024 0.000 0.843 587 S CB 1.888 65.087 63.200 -0.002 0.000 1.122 587 S HN 0.560 nan 8.310 nan 0.000 0.468 588 E N 0.993 121.236 120.200 0.072 0.000 2.070 588 E HA -0.281 4.077 4.350 0.014 0.000 0.197 588 E C 1.075 177.772 176.600 0.162 0.000 1.004 588 E CA 2.163 58.626 56.400 0.105 0.000 0.805 588 E CB -0.317 29.437 29.700 0.091 0.000 0.744 588 E HN 0.765 nan 8.360 nan 0.000 0.451 589 D N -0.354 120.123 120.400 0.129 0.000 2.149 589 D HA -0.053 4.595 4.640 0.014 0.000 0.201 589 D C 0.888 177.279 176.300 0.152 0.000 0.972 589 D CA 1.049 55.147 54.000 0.163 0.000 0.835 589 D CB 0.265 41.122 40.800 0.097 0.000 0.966 589 D HN 0.083 nan 8.370 nan 0.000 0.476 590 K N -0.742 119.623 120.400 -0.059 0.000 2.564 590 K HA 0.297 4.625 4.320 0.014 0.000 0.205 590 K C 0.713 176.961 176.600 -0.586 0.000 1.053 590 K CA -0.069 55.885 56.287 -0.555 0.000 1.072 590 K CB 1.527 33.558 32.500 -0.782 0.000 0.822 590 K HN -0.059 nan 8.250 nan 0.000 0.497 591 G N 2.690 111.495 108.800 0.008 0.000 3.471 591 G HA2 0.033 4.001 3.960 0.014 0.000 0.254 591 G HA3 0.033 4.001 3.960 0.014 0.000 0.254 591 G C -0.396 174.697 174.900 0.321 0.000 1.199 591 G CA -0.390 44.775 45.100 0.108 0.000 1.683 591 G HN 0.265 nan 8.290 nan 0.000 0.625 592 W N -0.804 120.502 121.300 0.009 0.000 3.439 592 W HA 0.728 5.394 4.660 0.009 0.000 0.323 592 W C -1.209 175.393 176.519 0.140 0.000 1.174 592 W CA -1.671 55.733 57.345 0.098 0.000 1.224 592 W CB 0.277 29.815 29.460 0.130 0.000 1.348 592 W HN -0.058 nan 8.180 nan 0.000 0.498 593 S N 2.736 118.550 115.700 0.190 0.000 2.540 593 S HA 0.727 5.206 4.470 0.014 0.000 0.275 593 S C -0.961 173.609 174.600 -0.051 0.000 1.123 593 S CA -0.716 57.457 58.200 -0.044 0.000 0.907 593 S CB 1.884 65.046 63.200 -0.064 0.000 1.081 593 S HN 0.394 nan 8.310 nan 0.000 0.476 594 I N 2.261 122.688 120.570 -0.238 0.000 2.439 594 I HA 0.333 4.511 4.170 0.014 0.000 0.283 594 I C -1.449 174.460 176.117 -0.347 0.000 1.023 594 I CA -0.404 60.802 61.300 -0.158 0.000 1.100 594 I CB 1.281 39.236 38.000 -0.075 0.000 1.238 594 I HN 0.571 nan 8.210 nan 0.000 0.445 595 W N 6.954 128.188 121.300 -0.109 0.000 2.338 595 W HA 0.546 5.212 4.660 0.011 0.000 0.307 595 W C 0.037 176.564 176.519 0.013 0.000 1.167 595 W CA -0.524 56.793 57.345 -0.048 0.000 1.208 595 W CB 1.533 31.030 29.460 0.062 0.000 1.228 595 W HN 0.240 nan 8.180 nan 0.000 0.499 596 V N 1.874 121.858 119.914 0.118 0.000 3.102 596 V HA 0.721 4.849 4.120 0.014 0.000 0.312 596 V C -2.756 173.344 176.094 0.010 0.000 1.135 596 V CA -3.641 58.660 62.300 0.001 0.000 1.022 596 V CB 1.792 33.172 31.823 -0.738 0.000 1.056 596 V HN 0.240 nan 8.190 nan 0.000 0.436 597 P HA 0.212 nan 4.420 nan 0.000 0.271 597 P C 0.993 178.325 177.300 0.054 0.000 1.218 597 P CA 0.254 63.158 63.100 -0.327 0.000 0.780 597 P CB 0.968 32.504 31.700 -0.274 0.000 0.901 598 V N 0.108 120.020 119.914 -0.003 0.000 2.591 598 V HA -0.026 4.102 4.120 0.014 0.000 0.249 598 V C 0.548 176.639 176.094 -0.005 0.000 1.053 598 V CA 1.318 63.614 62.300 -0.008 0.000 1.068 598 V CB -0.958 30.801 31.823 -0.107 0.000 0.689 598 V HN 0.459 nan 8.190 nan 0.000 0.462 599 E N 0.000 120.196 120.200 -0.007 0.000 2.725 599 E HA 0.000 4.358 4.350 0.014 0.000 0.291 599 E CA 0.000 56.404 56.400 0.006 0.000 0.976 599 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 599 E HN 0.000 nan 8.360 nan 0.000 0.440