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 3cyj_1_C DATA FIRST_RESID 4 DATA SEQUENCE PRVERLEVSA YTVPTDYPES DGTLQWDSTT MILVEAHGGG RKGLGYTYGD DATA SEQUENCE VSVGRFVESK LAGVAEGSDA LSPPAVWARM QAAIRNAGRP GVGAMAVSAV DATA SEQUENCE DIALWDLKAR LLGLPLADAL PRFHAEVPVY GSGGFTSYPL RRLQEQLGGW DATA SEQUENCE AAAGIPRVKM KVGREPEKDP ERVRAAREAI GESVELMVDA NGAYTRKQAL DATA SEQUENCE YWAGAFAREA GISYLEEPVS SEDREGLRLL RDRGPGGVAI AAGEYEWTLP DATA SEQUENCE QLHDLAGCVD ILQADVTRCG GITGLLRVDG ICRGHQIPFS AHCAPAVSAH DATA SEQUENCE ACCAVESLLH LEYFHDHARV ERLLFDGTLD PEGGSLRPDP DRPGLGLELK DATA SEQUENCE RSEAGKYAA 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.291 177.300 -0.016 0.000 1.155 4 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 4 P CB 0.000 31.691 31.700 -0.015 0.000 0.726 5 R N 0.344 120.839 120.500 -0.008 0.000 2.787 5 R HA 0.617 4.957 4.340 -0.000 0.000 0.271 5 R C -0.412 175.888 176.300 0.000 0.000 0.993 5 R CA -0.949 55.146 56.100 -0.007 0.000 0.993 5 R CB 2.076 32.374 30.300 -0.003 0.000 1.155 5 R HN 0.253 nan 8.270 nan 0.000 0.486 6 V N 3.071 122.985 119.914 -0.001 0.000 2.415 6 V HA 0.054 4.174 4.120 -0.000 0.000 0.267 6 V C 1.727 177.837 176.094 0.027 0.000 1.042 6 V CA 0.766 63.073 62.300 0.012 0.000 1.000 6 V CB 0.437 32.263 31.823 0.004 0.000 1.015 6 V HN 0.983 nan 8.190 nan 0.000 0.478 7 E N 5.869 126.098 120.200 0.047 0.000 2.030 7 E HA 0.039 4.389 4.350 -0.000 0.000 0.189 7 E C 1.105 177.736 176.600 0.052 0.000 0.974 7 E CA 1.183 57.608 56.400 0.042 0.000 0.807 7 E CB 0.233 29.957 29.700 0.040 0.000 0.771 7 E HN 0.797 nan 8.360 nan 0.000 0.451 8 R N -1.491 119.070 120.500 0.101 0.000 2.707 8 R HA 0.643 4.982 4.340 -0.000 0.000 0.272 8 R C -1.602 174.806 176.300 0.180 0.000 1.011 8 R CA -0.716 55.448 56.100 0.107 0.000 0.893 8 R CB 1.065 31.399 30.300 0.056 0.000 1.233 8 R HN 0.212 nan 8.270 nan 0.000 0.464 9 L N 2.843 124.140 121.223 0.124 0.000 2.313 9 L HA 0.434 4.773 4.340 -0.000 0.000 0.283 9 L C -0.370 176.574 176.870 0.123 0.000 1.013 9 L CA -0.728 54.183 54.840 0.118 0.000 0.816 9 L CB 1.895 43.997 42.059 0.072 0.000 1.236 9 L HN 0.794 nan 8.230 nan 0.000 0.419 10 E N 3.343 123.633 120.200 0.149 0.000 2.207 10 E HA 0.683 5.033 4.350 -0.000 0.000 0.270 10 E C -1.327 175.334 176.600 0.101 0.000 0.927 10 E CA -0.931 55.544 56.400 0.125 0.000 0.799 10 E CB 2.740 32.538 29.700 0.163 0.000 1.172 10 E HN 0.163 nan 8.360 nan 0.000 0.404 11 V N 1.483 121.443 119.914 0.076 0.000 2.588 11 V HA 0.580 4.700 4.120 -0.000 0.000 0.304 11 V C -0.432 175.682 176.094 0.034 0.000 1.042 11 V CA -0.604 61.733 62.300 0.062 0.000 0.877 11 V CB 1.419 33.271 31.823 0.049 0.000 0.996 11 V HN 0.912 nan 8.190 nan 0.000 0.425 12 S N 2.786 118.498 115.700 0.020 0.000 2.618 12 S HA 0.990 5.460 4.470 -0.000 0.000 0.277 12 S C -0.709 173.756 174.600 -0.225 0.000 1.138 12 S CA -0.339 57.794 58.200 -0.110 0.000 0.844 12 S CB 2.336 65.469 63.200 -0.111 0.000 1.127 12 S HN 1.575 nan 8.310 nan 0.000 0.474 13 A N 0.647 123.180 122.820 -0.480 0.000 2.454 13 A HA 0.864 5.184 4.320 -0.000 0.000 0.302 13 A C -2.033 175.076 177.584 -0.790 0.000 1.079 13 A CA -0.767 51.011 52.037 -0.432 0.000 0.731 13 A CB 1.006 19.908 19.000 -0.164 0.000 1.299 13 A HN 0.840 nan 8.150 nan 0.000 0.413 14 Y N -0.202 120.107 120.300 0.016 0.000 2.421 14 Y HA 0.561 5.111 4.550 -0.000 0.000 0.339 14 Y C 0.104 176.031 175.900 0.046 0.000 0.996 14 Y CA -0.519 57.601 58.100 0.032 0.000 1.046 14 Y CB 2.717 41.168 38.460 -0.016 0.000 1.226 14 Y HN 0.540 nan 8.280 nan 0.000 0.445 15 T N 3.377 118.057 114.554 0.209 0.000 2.770 15 T HA 0.602 4.952 4.350 -0.000 0.000 0.283 15 T C -0.856 173.947 174.700 0.173 0.000 0.988 15 T CA -0.658 61.539 62.100 0.162 0.000 0.957 15 T CB 0.924 69.868 68.868 0.128 0.000 0.930 15 T HN 0.320 nan 8.240 nan 0.000 0.443 16 V N 6.214 126.158 119.914 0.051 0.000 2.407 16 V HA 0.381 4.501 4.120 -0.000 0.000 0.291 16 V C -2.325 173.770 176.094 0.002 0.000 1.018 16 V CA -2.347 59.897 62.300 -0.094 0.000 0.842 16 V CB 1.443 33.055 31.823 -0.351 0.000 0.996 16 V HN 0.657 nan 8.190 nan 0.000 0.426 17 P HA 0.161 nan 4.420 nan 0.000 0.269 17 P C 0.259 177.572 177.300 0.021 0.000 1.215 17 P CA 0.036 63.169 63.100 0.055 0.000 0.780 17 P CB 0.237 31.980 31.700 0.072 0.000 0.898 18 T N -1.819 112.750 114.554 0.025 0.000 2.860 18 T HA 0.099 4.449 4.350 -0.000 0.000 0.299 18 T C 0.915 175.639 174.700 0.040 0.000 1.045 18 T CA -0.372 61.737 62.100 0.016 0.000 1.071 18 T CB 0.263 69.112 68.868 -0.032 0.000 0.985 18 T HN 0.452 nan 8.240 nan 0.000 0.537 19 D N -0.914 119.545 120.400 0.098 0.000 2.363 19 D HA 0.007 4.647 4.640 -0.000 0.000 0.220 19 D C 0.053 176.472 176.300 0.197 0.000 0.994 19 D CA 0.381 54.458 54.000 0.129 0.000 0.890 19 D CB -0.342 40.544 40.800 0.142 0.000 0.906 19 D HN 0.640 nan 8.370 nan 0.000 0.530 20 Y N -0.367 119.944 120.300 0.019 0.000 2.581 20 Y HA 0.366 4.916 4.550 -0.000 0.000 0.337 20 Y C -2.681 173.176 175.900 -0.072 0.000 1.108 20 Y CA -2.355 55.743 58.100 -0.002 0.000 1.033 20 Y CB 1.903 40.391 38.460 0.046 0.000 1.318 20 Y HN -0.304 nan 8.280 nan 0.000 0.459 21 P HA 0.132 nan 4.420 nan 0.000 0.267 21 P C -1.302 175.781 177.300 -0.361 0.000 1.205 21 P CA 0.384 63.233 63.100 -0.419 0.000 0.765 21 P CB 0.900 32.324 31.700 -0.460 0.000 0.828 22 E N 0.959 120.754 120.200 -0.675 0.000 2.227 22 E HA 0.558 4.908 4.350 -0.000 0.000 0.268 22 E C -0.408 175.444 176.600 -1.247 0.000 0.907 22 E CA -0.689 55.032 56.400 -1.133 0.000 0.786 22 E CB 1.838 30.414 29.700 -1.874 0.000 1.191 22 E HN 0.518 nan 8.360 nan 0.000 0.411 23 S N 1.209 116.385 115.700 -0.872 0.000 2.588 23 S HA 0.608 5.078 4.470 -0.000 0.000 0.269 23 S C -1.435 173.199 174.600 0.056 0.000 1.157 23 S CA -0.991 56.962 58.200 -0.412 0.000 0.824 23 S CB 1.877 64.985 63.200 -0.152 0.000 1.126 23 S HN 0.551 nan 8.310 nan 0.000 0.464 24 D N -0.590 119.991 120.400 0.302 0.000 2.837 24 D HA 0.575 5.214 4.640 -0.000 0.000 0.294 24 D C 1.349 177.737 176.300 0.147 0.000 1.158 24 D CA -0.224 53.949 54.000 0.288 0.000 1.073 24 D CB -0.142 40.914 40.800 0.427 0.000 1.419 24 D HN 0.733 nan 8.370 nan 0.000 0.584 25 G N -1.613 107.228 108.800 0.068 0.000 2.479 25 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.220 25 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.220 25 G C 0.985 175.895 174.900 0.017 0.000 1.115 25 G CA 1.587 46.678 45.100 -0.014 0.000 0.757 25 G HN 0.754 nan 8.290 nan 0.000 0.560 26 T N -3.534 111.063 114.554 0.072 0.000 3.144 26 T HA 0.591 4.941 4.350 -0.000 0.000 0.290 26 T C -0.236 174.530 174.700 0.109 0.000 0.966 26 T CA -0.414 61.726 62.100 0.066 0.000 0.907 26 T CB 0.423 69.313 68.868 0.037 0.000 1.152 26 T HN 0.082 nan 8.240 nan 0.000 0.532 27 L N 0.798 122.135 121.223 0.190 0.000 2.518 27 L HA 0.601 4.941 4.340 -0.000 0.000 0.257 27 L C -1.958 175.121 176.870 0.350 0.000 0.980 27 L CA -0.470 54.527 54.840 0.261 0.000 0.837 27 L CB 2.518 44.746 42.059 0.282 0.000 1.410 27 L HN 0.173 nan 8.230 nan 0.000 0.410 28 Q N 2.125 122.103 119.800 0.297 0.000 2.375 28 Q HA 0.714 5.054 4.340 -0.000 0.000 0.271 28 Q C -1.892 174.293 176.000 0.308 0.000 1.074 28 Q CA -0.520 55.377 55.803 0.156 0.000 0.808 28 Q CB 2.748 31.495 28.738 0.014 0.000 1.327 28 Q HN 0.629 nan 8.270 nan 0.000 0.441 29 W N 0.821 122.100 121.300 -0.035 0.000 3.074 29 W HA 0.550 5.210 4.660 -0.000 0.000 0.332 29 W C -1.008 175.476 176.519 -0.059 0.000 1.253 29 W CA -0.729 56.596 57.345 -0.032 0.000 1.180 29 W CB 0.770 30.222 29.460 -0.014 0.000 1.445 29 W HN 0.602 nan 8.180 nan 0.000 0.573 30 D N -0.159 120.282 120.400 0.069 0.000 2.563 30 D HA 0.226 4.866 4.640 -0.000 0.000 0.256 30 D C -0.143 176.199 176.300 0.071 0.000 1.400 30 D CA 0.270 54.242 54.000 -0.047 0.000 0.800 30 D CB -0.153 40.599 40.800 -0.080 0.000 1.145 30 D HN 0.496 nan 8.370 nan 0.000 0.501 31 S N -1.484 114.336 115.700 0.200 0.000 2.685 31 S HA 0.809 5.279 4.470 -0.000 0.000 0.282 31 S C -0.743 173.992 174.600 0.224 0.000 1.159 31 S CA -0.601 57.702 58.200 0.170 0.000 0.833 31 S CB 1.997 65.271 63.200 0.124 0.000 1.151 31 S HN -0.062 nan 8.310 nan 0.000 0.485 32 T N 1.545 116.189 114.554 0.151 0.000 2.861 32 T HA 0.671 5.021 4.350 -0.000 0.000 0.287 32 T C -1.093 173.704 174.700 0.162 0.000 1.003 32 T CA -0.473 61.718 62.100 0.152 0.000 0.977 32 T CB 1.731 70.668 68.868 0.116 0.000 0.996 32 T HN 0.683 nan 8.240 nan 0.000 0.448 33 T N 3.814 118.486 114.554 0.196 0.000 2.770 33 T HA 0.503 4.852 4.350 -0.000 0.000 0.283 33 T C -0.338 174.501 174.700 0.232 0.000 0.988 33 T CA -0.558 61.649 62.100 0.179 0.000 0.957 33 T CB 0.797 69.737 68.868 0.120 0.000 0.930 33 T HN 0.512 nan 8.240 nan 0.000 0.443 34 M N 4.684 124.389 119.600 0.175 0.000 2.238 34 M HA 0.554 5.034 4.480 -0.000 0.000 0.350 34 M C -1.592 174.740 176.300 0.053 0.000 1.138 34 M CA -0.779 54.531 55.300 0.017 0.000 1.040 34 M CB 0.483 33.018 32.600 -0.109 0.000 1.639 34 M HN 0.427 nan 8.290 nan 0.000 0.451 35 I N 5.775 126.356 120.570 0.019 0.000 2.330 35 I HA 0.325 4.495 4.170 -0.000 0.000 0.289 35 I C -0.907 175.277 176.117 0.111 0.000 1.001 35 I CA -0.384 60.948 61.300 0.053 0.000 1.193 35 I CB 1.433 39.456 38.000 0.038 0.000 1.345 35 I HN 0.575 nan 8.210 nan 0.000 0.461 36 L N 8.248 129.566 121.223 0.159 0.000 2.296 36 L HA 0.674 5.014 4.340 -0.000 0.000 0.286 36 L C -0.746 176.224 176.870 0.167 0.000 1.023 36 L CA -0.304 54.672 54.840 0.226 0.000 0.812 36 L CB 1.469 43.724 42.059 0.327 0.000 1.223 36 L HN 0.330 nan 8.230 nan 0.000 0.421 37 V N 4.772 124.777 119.914 0.150 0.000 2.459 37 V HA 0.508 4.628 4.120 -0.000 0.000 0.295 37 V C -0.366 175.779 176.094 0.084 0.000 1.029 37 V CA -0.660 61.703 62.300 0.105 0.000 0.874 37 V CB 1.674 33.547 31.823 0.084 0.000 0.985 37 V HN 0.753 nan 8.190 nan 0.000 0.438 38 E N 2.926 123.158 120.200 0.054 0.000 2.199 38 E HA 0.707 5.057 4.350 -0.000 0.000 0.265 38 E C -0.729 175.796 176.600 -0.125 0.000 0.882 38 E CA -0.611 55.761 56.400 -0.047 0.000 0.759 38 E CB 2.291 31.962 29.700 -0.048 0.000 1.148 38 E HN 0.779 nan 8.360 nan 0.000 0.412 39 A N 4.156 126.861 122.820 -0.192 0.000 2.303 39 A HA 0.466 4.786 4.320 -0.000 0.000 0.320 39 A C -0.916 176.510 177.584 -0.262 0.000 1.192 39 A CA -0.673 51.281 52.037 -0.140 0.000 0.821 39 A CB 0.589 19.560 19.000 -0.048 0.000 1.188 39 A HN 0.618 nan 8.150 nan 0.000 0.492 40 H N 1.182 120.261 119.070 0.015 0.000 2.466 40 H HA 0.689 5.245 4.556 -0.000 0.000 0.338 40 H C 0.208 175.537 175.328 0.002 0.000 1.091 40 H CA -0.059 55.995 56.048 0.011 0.000 1.207 40 H CB 2.136 31.906 29.762 0.014 0.000 1.466 40 H HN 0.992 nan 8.280 nan 0.000 0.493 41 G N -0.539 108.320 108.800 0.099 0.000 2.616 41 G HA2 0.372 4.332 3.960 -0.000 0.000 0.294 41 G HA3 0.372 4.332 3.960 -0.000 0.000 0.294 41 G C 0.191 175.111 174.900 0.034 0.000 1.489 41 G CA -0.149 44.984 45.100 0.055 0.000 0.836 41 G HN 0.786 nan 8.290 nan 0.000 0.527 42 G N -0.794 108.020 108.800 0.023 0.000 2.390 42 G HA2 0.243 4.203 3.960 -0.000 0.000 0.299 42 G HA3 0.243 4.203 3.960 -0.000 0.000 0.299 42 G C 1.753 176.665 174.900 0.020 0.000 1.002 42 G CA 1.606 46.714 45.100 0.014 0.000 0.979 42 G HN 2.756 nan 8.290 nan 0.000 0.513 43 G N -1.908 106.911 108.800 0.032 0.000 2.166 43 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 43 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 43 G C 0.570 175.495 174.900 0.042 0.000 0.986 43 G CA 1.251 46.373 45.100 0.036 0.000 0.683 43 G HN 0.977 nan 8.290 nan 0.000 0.527 44 R N -0.657 119.868 120.500 0.042 0.000 2.919 44 R HA 0.765 5.104 4.340 -0.000 0.000 0.260 44 R C -0.401 175.912 176.300 0.023 0.000 1.067 44 R CA -0.943 55.175 56.100 0.029 0.000 1.003 44 R CB 1.534 31.838 30.300 0.007 0.000 1.192 44 R HN 0.239 nan 8.270 nan 0.000 0.488 45 K N 0.022 120.411 120.400 -0.019 0.000 2.578 45 K HA 0.454 4.774 4.320 -0.000 0.000 0.250 45 K C -0.721 175.816 176.600 -0.104 0.000 0.955 45 K CA -0.379 55.843 56.287 -0.107 0.000 0.825 45 K CB 1.702 34.141 32.500 -0.102 0.000 1.151 45 K HN 0.779 nan 8.250 nan 0.000 0.432 46 G N 3.580 112.304 108.800 -0.126 0.000 2.389 46 G HA2 0.540 4.500 3.960 -0.000 0.000 0.317 46 G HA3 0.540 4.500 3.960 -0.000 0.000 0.317 46 G C -1.405 173.450 174.900 -0.074 0.000 1.137 46 G CA -0.763 44.289 45.100 -0.080 0.000 0.870 46 G HN 0.609 nan 8.290 nan 0.000 0.496 47 L N 1.519 122.717 121.223 -0.042 0.000 2.381 47 L HA 0.928 5.268 4.340 -0.000 0.000 0.268 47 L C -0.001 176.886 176.870 0.028 0.000 0.997 47 L CA -0.590 54.251 54.840 0.001 0.000 0.818 47 L CB 2.191 44.244 42.059 -0.009 0.000 1.310 47 L HN 0.763 nan 8.230 nan 0.000 0.416 48 G N 2.377 111.232 108.800 0.092 0.000 2.718 48 G HA2 0.617 4.577 3.960 -0.000 0.000 0.295 48 G HA3 0.617 4.577 3.960 -0.000 0.000 0.295 48 G C -2.201 172.793 174.900 0.157 0.000 1.421 48 G CA -0.391 44.745 45.100 0.061 0.000 0.902 48 G HN 0.832 nan 8.290 nan 0.000 0.501 49 Y N -1.878 118.415 120.300 -0.012 0.000 2.670 49 Y HA 0.872 5.422 4.550 -0.000 0.000 0.334 49 Y C -0.559 175.251 175.900 -0.150 0.000 1.185 49 Y CA -1.114 56.945 58.100 -0.068 0.000 1.053 49 Y CB 1.676 40.083 38.460 -0.088 0.000 1.298 49 Y HN 0.801 nan 8.280 nan 0.000 0.459 50 T N 0.055 114.598 114.554 -0.018 0.000 2.843 50 T HA 0.612 4.962 4.350 -0.000 0.000 0.302 50 T C -2.324 172.242 174.700 -0.224 0.000 1.232 50 T CA -0.637 61.395 62.100 -0.113 0.000 1.009 50 T CB 0.941 69.795 68.868 -0.023 0.000 1.254 50 T HN 0.562 nan 8.240 nan 0.000 0.504 51 Y N 0.882 121.243 120.300 0.101 0.000 2.352 51 Y HA 0.734 5.284 4.550 -0.000 0.000 0.339 51 Y C 0.996 176.937 175.900 0.067 0.000 0.992 51 Y CA 0.401 58.540 58.100 0.066 0.000 1.100 51 Y CB 2.101 40.571 38.460 0.018 0.000 1.192 51 Y HN 1.099 nan 8.280 nan 0.000 0.458 52 G N 1.556 110.474 108.800 0.197 0.000 2.452 52 G HA2 0.090 4.050 3.960 -0.000 0.000 0.224 52 G HA3 0.090 4.050 3.960 -0.000 0.000 0.224 52 G C -1.848 173.101 174.900 0.083 0.000 1.208 52 G CA -0.962 44.209 45.100 0.119 0.000 0.946 52 G HN 0.477 nan 8.290 nan 0.000 0.481 53 D N -0.821 119.608 120.400 0.049 0.000 2.313 53 D HA 0.420 5.060 4.640 -0.000 0.000 0.247 53 D C 1.581 177.903 176.300 0.037 0.000 1.094 53 D CA 0.310 54.334 54.000 0.040 0.000 0.925 53 D CB 1.900 42.715 40.800 0.024 0.000 1.188 53 D HN 0.535 nan 8.370 nan 0.000 0.430 54 V N 2.828 122.762 119.914 0.033 0.000 2.453 54 V HA -0.256 3.864 4.120 -0.000 0.000 0.252 54 V C 1.952 178.061 176.094 0.026 0.000 1.068 54 V CA 2.871 65.184 62.300 0.022 0.000 1.070 54 V CB -0.773 31.058 31.823 0.013 0.000 0.664 54 V HN 0.760 nan 8.190 nan 0.000 0.461 55 S N -1.016 114.703 115.700 0.031 0.000 2.442 55 S HA -0.157 4.313 4.470 -0.000 0.000 0.236 55 S C 1.833 176.476 174.600 0.073 0.000 1.007 55 S CA 1.514 59.741 58.200 0.046 0.000 0.965 55 S CB -0.583 62.643 63.200 0.043 0.000 0.773 55 S HN 0.451 nan 8.310 nan 0.000 0.504 56 V N 2.539 122.481 119.914 0.047 0.000 2.317 56 V HA -0.198 3.922 4.120 -0.000 0.000 0.251 56 V C 2.935 179.089 176.094 0.099 0.000 1.065 56 V CA 2.005 64.335 62.300 0.050 0.000 1.049 56 V CB -1.829 30.003 31.823 0.015 0.000 0.651 56 V HN 0.670 nan 8.190 nan 0.000 0.450 57 G N -0.291 108.548 108.800 0.066 0.000 2.476 57 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.218 57 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.218 57 G C 1.662 176.606 174.900 0.072 0.000 1.164 57 G CA 1.242 46.376 45.100 0.057 0.000 0.768 57 G HN 0.443 nan 8.290 nan 0.000 0.560 58 R N -0.166 120.378 120.500 0.073 0.000 2.092 58 R HA 0.039 4.379 4.340 -0.000 0.000 0.231 58 R C 2.185 178.528 176.300 0.072 0.000 1.119 58 R CA 1.220 57.354 56.100 0.057 0.000 0.970 58 R CB -0.900 29.427 30.300 0.045 0.000 0.864 58 R HN 0.377 nan 8.270 nan 0.000 0.440 59 F N -0.240 119.702 119.950 -0.014 0.000 2.102 59 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 59 F C 1.893 177.685 175.800 -0.014 0.000 1.105 59 F CA 1.580 59.569 58.000 -0.018 0.000 1.239 59 F CB -0.215 38.771 39.000 -0.023 0.000 0.991 59 F HN -0.148 nan 8.300 nan 0.000 0.474 60 V N 0.611 120.687 119.914 0.271 0.000 2.252 60 V HA -0.357 3.762 4.120 -0.000 0.000 0.249 60 V C 2.211 178.334 176.094 0.049 0.000 1.056 60 V CA 2.448 64.847 62.300 0.165 0.000 1.022 60 V CB -0.842 31.056 31.823 0.126 0.000 0.641 60 V HN 0.369 nan 8.190 nan 0.000 0.445 61 E N -0.068 120.150 120.200 0.029 0.000 2.058 61 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 61 E C 2.423 178.992 176.600 -0.052 0.000 0.997 61 E CA 1.757 58.154 56.400 -0.005 0.000 0.801 61 E CB -0.308 29.391 29.700 -0.001 0.000 0.746 61 E HN 0.552 nan 8.360 nan 0.000 0.450 62 S N -0.317 115.323 115.700 -0.100 0.000 2.371 62 S HA -0.078 4.392 4.470 -0.000 0.000 0.224 62 S C 1.697 176.167 174.600 -0.217 0.000 1.029 62 S CA 0.981 59.085 58.200 -0.159 0.000 0.978 62 S CB 0.197 63.276 63.200 -0.202 0.000 0.833 62 S HN -0.009 nan 8.310 nan 0.000 0.466 63 K N 0.120 120.333 120.400 -0.311 0.000 2.399 63 K HA 0.400 4.720 4.320 -0.000 0.000 0.196 63 K C 1.672 178.190 176.600 -0.136 0.000 1.117 63 K CA 0.267 56.364 56.287 -0.317 0.000 0.965 63 K CB -0.049 32.050 32.500 -0.669 0.000 0.983 63 K HN 0.376 nan 8.250 nan 0.000 0.531 64 L N -0.339 120.849 121.223 -0.058 0.000 2.467 64 L HA 0.246 4.586 4.340 -0.000 0.000 0.213 64 L C 2.232 179.111 176.870 0.014 0.000 1.053 64 L CA 0.521 55.370 54.840 0.015 0.000 0.847 64 L CB -0.301 41.812 42.059 0.091 0.000 1.075 64 L HN -0.092 nan 8.230 nan 0.000 0.479 65 A N 0.869 123.694 122.820 0.009 0.000 1.933 65 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 65 A C 2.272 179.860 177.584 0.006 0.000 1.175 65 A CA 1.753 53.800 52.037 0.017 0.000 0.628 65 A CB -1.075 17.936 19.000 0.019 0.000 0.814 65 A HN 0.406 nan 8.150 nan 0.000 0.444 66 G N -1.107 107.687 108.800 -0.010 0.000 2.534 66 G HA2 0.055 4.015 3.960 -0.000 0.000 0.217 66 G HA3 0.055 4.015 3.960 -0.000 0.000 0.217 66 G C 1.327 176.222 174.900 -0.008 0.000 1.128 66 G CA 1.104 46.197 45.100 -0.012 0.000 0.784 66 G HN 0.315 nan 8.290 nan 0.000 0.542 67 V N 0.845 120.755 119.914 -0.006 0.000 2.426 67 V HA 0.076 4.196 4.120 -0.000 0.000 0.242 67 V C 3.165 179.265 176.094 0.009 0.000 1.036 67 V CA 1.657 63.957 62.300 -0.000 0.000 1.044 67 V CB -0.291 31.532 31.823 -0.000 0.000 0.688 67 V HN 0.404 nan 8.190 nan 0.000 0.462 68 A N -0.464 122.366 122.820 0.016 0.000 1.873 68 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 68 A C 1.188 178.780 177.584 0.014 0.000 1.186 68 A CA 0.706 52.755 52.037 0.020 0.000 0.616 68 A CB -0.414 18.604 19.000 0.030 0.000 0.823 68 A HN 0.604 nan 8.150 nan 0.000 0.442 69 E N -1.293 118.916 120.200 0.015 0.000 2.452 69 E HA 0.332 4.682 4.350 -0.000 0.000 0.261 69 E C 1.056 177.660 176.600 0.007 0.000 0.987 69 E CA 0.596 57.005 56.400 0.015 0.000 0.926 69 E CB 0.076 29.786 29.700 0.016 0.000 0.934 69 E HN 0.687 nan 8.360 nan 0.000 0.452 70 G N 2.512 111.315 108.800 0.006 0.000 2.176 70 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.253 70 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.253 70 G C 0.324 175.223 174.900 -0.002 0.000 0.979 70 G CA 0.233 45.334 45.100 0.001 0.000 0.641 70 G HN 0.473 nan 8.290 nan 0.000 0.530 71 S N 0.335 116.032 115.700 -0.004 0.000 2.632 71 S HA 0.473 4.943 4.470 -0.000 0.000 0.271 71 S C 0.023 174.611 174.600 -0.021 0.000 1.260 71 S CA -0.050 58.144 58.200 -0.011 0.000 1.010 71 S CB 1.507 64.701 63.200 -0.010 0.000 0.965 71 S HN 0.475 nan 8.310 nan 0.000 0.534 72 D N 1.170 121.554 120.400 -0.027 0.000 2.389 72 D HA 0.133 4.773 4.640 -0.000 0.000 0.263 72 D C 0.703 176.965 176.300 -0.064 0.000 1.255 72 D CA -0.168 53.808 54.000 -0.039 0.000 0.914 72 D CB 0.562 41.340 40.800 -0.037 0.000 1.116 72 D HN 0.498 nan 8.370 nan 0.000 0.502 73 A N 4.160 126.943 122.820 -0.063 0.000 2.235 73 A HA 0.045 4.365 4.320 -0.000 0.000 0.208 73 A C 1.736 179.242 177.584 -0.130 0.000 1.172 73 A CA 0.236 52.220 52.037 -0.088 0.000 0.786 73 A CB -0.313 18.651 19.000 -0.060 0.000 0.804 73 A HN 0.719 nan 8.150 nan 0.000 0.479 74 L N -1.099 120.049 121.223 -0.124 0.000 2.640 74 L HA 0.185 4.524 4.340 -0.000 0.000 0.230 74 L C 0.299 177.040 176.870 -0.214 0.000 1.123 74 L CA 0.141 54.891 54.840 -0.151 0.000 0.900 74 L CB 0.388 42.392 42.059 -0.091 0.000 1.146 74 L HN 0.151 nan 8.230 nan 0.000 0.484 75 S N -0.175 115.395 115.700 -0.216 0.000 2.128 75 S HA 0.266 4.736 4.470 -0.000 0.000 0.157 75 S C -1.818 172.628 174.600 -0.256 0.000 1.650 75 S CA -0.719 57.352 58.200 -0.215 0.000 1.269 75 S CB 0.969 64.107 63.200 -0.104 0.000 1.227 75 S HN -0.049 nan 8.310 nan 0.000 0.405 76 P HA -0.095 nan 4.420 nan 0.000 0.216 76 P C -1.665 175.565 177.300 -0.117 0.000 1.153 76 P CA 1.355 64.195 63.100 -0.434 0.000 0.858 76 P CB -0.840 30.198 31.700 -1.104 0.000 0.789 77 P HA -0.120 nan 4.420 nan 0.000 0.218 77 P C 1.395 178.800 177.300 0.175 0.000 1.149 77 P CA 1.836 64.994 63.100 0.097 0.000 0.817 77 P CB -0.623 31.119 31.700 0.071 0.000 0.785 78 A N -0.729 122.142 122.820 0.085 0.000 1.969 78 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 78 A C 2.252 179.903 177.584 0.113 0.000 1.169 78 A CA 1.490 53.584 52.037 0.094 0.000 0.635 78 A CB -1.583 17.440 19.000 0.039 0.000 0.810 78 A HN 0.034 nan 8.150 nan 0.000 0.445 79 V N -2.200 117.773 119.914 0.098 0.000 2.379 79 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 79 V C 2.143 178.344 176.094 0.178 0.000 1.044 79 V CA 1.682 64.042 62.300 0.099 0.000 1.036 79 V CB -0.983 30.874 31.823 0.057 0.000 0.664 79 V HN 0.858 nan 8.190 nan 0.000 0.453 80 W N 1.163 122.481 121.300 0.029 0.000 2.335 80 W HA -0.265 4.395 4.660 -0.000 0.000 0.311 80 W C 2.480 179.034 176.519 0.059 0.000 1.213 80 W CA 2.476 59.857 57.345 0.061 0.000 1.274 80 W CB -0.326 29.191 29.460 0.094 0.000 1.148 80 W HN 0.197 nan 8.180 nan 0.000 0.498 81 A N 0.662 123.733 122.820 0.419 0.000 1.908 81 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 81 A C 1.963 179.568 177.584 0.035 0.000 1.181 81 A CA 2.085 54.247 52.037 0.207 0.000 0.627 81 A CB -0.850 18.303 19.000 0.255 0.000 0.818 81 A HN 0.438 nan 8.150 nan 0.000 0.445 82 R N -1.054 119.477 120.500 0.053 0.000 2.115 82 R HA -0.011 4.329 4.340 -0.000 0.000 0.230 82 R C 2.278 178.564 176.300 -0.023 0.000 1.111 82 R CA 1.542 57.650 56.100 0.014 0.000 0.976 82 R CB -0.369 29.946 30.300 0.026 0.000 0.870 82 R HN 0.562 nan 8.270 nan 0.000 0.445 83 M N 0.329 119.906 119.600 -0.040 0.000 2.086 83 M HA -0.198 4.282 4.480 -0.000 0.000 0.261 83 M C 2.198 178.428 176.300 -0.118 0.000 1.067 83 M CA 1.552 56.812 55.300 -0.066 0.000 1.116 83 M CB -0.251 32.313 32.600 -0.060 0.000 1.348 83 M HN 0.092 nan 8.290 nan 0.000 0.407 84 Q N 0.112 119.766 119.800 -0.245 0.000 2.084 84 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 84 Q C 2.284 178.214 176.000 -0.117 0.000 0.978 84 Q CA 1.879 57.526 55.803 -0.260 0.000 0.844 84 Q CB -0.643 27.821 28.738 -0.457 0.000 0.898 84 Q HN 0.587 nan 8.270 nan 0.000 0.426 85 A N 1.342 124.113 122.820 -0.082 0.000 1.902 85 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 85 A C 2.365 179.933 177.584 -0.027 0.000 1.181 85 A CA 1.936 53.951 52.037 -0.037 0.000 0.623 85 A CB -0.716 18.274 19.000 -0.017 0.000 0.818 85 A HN 0.375 nan 8.150 nan 0.000 0.443 86 A N 0.275 123.077 122.820 -0.030 0.000 2.019 86 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 86 A C 1.829 179.399 177.584 -0.023 0.000 1.164 86 A CA 1.433 53.453 52.037 -0.028 0.000 0.644 86 A CB -0.735 18.246 19.000 -0.033 0.000 0.805 86 A HN 1.062 nan 8.150 nan 0.000 0.449 87 I N -4.425 116.145 120.570 0.000 0.000 3.914 87 I HA 0.287 4.457 4.170 -0.000 0.000 0.333 87 I C 1.592 177.735 176.117 0.043 0.000 1.449 87 I CA -0.143 61.187 61.300 0.049 0.000 1.135 87 I CB -0.013 38.103 38.000 0.193 0.000 1.073 87 I HN 0.181 nan 8.210 nan 0.000 0.401 88 R N 1.959 122.466 120.500 0.012 0.000 2.094 88 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 88 R C 1.492 177.800 176.300 0.012 0.000 1.137 88 R CA 2.450 58.556 56.100 0.011 0.000 0.943 88 R CB -0.143 30.161 30.300 0.007 0.000 0.850 88 R HN 0.439 nan 8.270 nan 0.000 0.433 89 N N -0.047 118.656 118.700 0.006 0.000 2.354 89 N HA -0.037 4.703 4.740 -0.000 0.000 0.179 89 N C 1.240 176.757 175.510 0.012 0.000 1.021 89 N CA 1.176 54.228 53.050 0.003 0.000 0.887 89 N CB -0.052 38.430 38.487 -0.008 0.000 0.974 89 N HN 0.318 nan 8.380 nan 0.000 0.437 90 A N -0.138 122.699 122.820 0.028 0.000 2.119 90 A HA 0.432 4.752 4.320 -0.000 0.000 0.216 90 A C 0.834 178.521 177.584 0.171 0.000 1.152 90 A CA 0.800 52.882 52.037 0.075 0.000 0.708 90 A CB -0.210 18.780 19.000 -0.017 0.000 0.805 90 A HN 0.266 nan 8.150 nan 0.000 0.460 91 G N -0.924 107.932 108.800 0.093 0.000 2.992 91 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.677 91 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.677 91 G C 0.176 175.016 174.900 -0.099 0.000 1.191 91 G CA 0.008 45.094 45.100 -0.022 0.000 1.178 91 G HN 0.294 nan 8.290 nan 0.000 0.506 92 R N 1.004 121.419 120.500 -0.143 0.000 2.081 92 R HA 0.007 4.347 4.340 -0.000 0.000 0.235 92 R C -1.013 175.065 176.300 -0.370 0.000 1.131 92 R CA 1.866 57.857 56.100 -0.182 0.000 0.960 92 R CB -0.403 29.855 30.300 -0.070 0.000 0.856 92 R HN 0.527 nan 8.270 nan 0.000 0.436 93 P HA 0.189 nan 4.420 nan 0.000 0.278 93 P C 0.297 177.273 177.300 -0.540 0.000 1.266 93 P CA 0.416 62.944 63.100 -0.952 0.000 0.807 93 P CB 1.116 31.368 31.700 -2.414 0.000 1.094 94 G N -0.288 108.316 108.800 -0.328 0.000 2.536 94 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.280 94 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.280 94 G C 0.987 175.758 174.900 -0.214 0.000 1.152 94 G CA 0.296 45.273 45.100 -0.206 0.000 0.970 94 G HN 0.337 nan 8.290 nan 0.000 0.549 95 V N 2.106 121.874 119.914 -0.245 0.000 2.278 95 V HA -0.142 3.978 4.120 -0.000 0.000 0.251 95 V C 3.288 179.027 176.094 -0.590 0.000 1.062 95 V CA 3.645 65.762 62.300 -0.305 0.000 1.038 95 V CB -1.432 30.243 31.823 -0.247 0.000 0.646 95 V HN 1.551 nan 8.190 nan 0.000 0.447 96 G N -0.699 107.623 108.800 -0.797 0.000 2.446 96 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 96 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 96 G C 1.745 176.312 174.900 -0.555 0.000 1.168 96 G CA 1.197 45.621 45.100 -1.125 0.000 0.771 96 G HN 0.661 nan 8.290 nan 0.000 0.551 97 A N 0.279 122.912 122.820 -0.313 0.000 1.930 97 A HA 0.143 4.463 4.320 -0.000 0.000 0.217 97 A C 2.467 180.011 177.584 -0.067 0.000 1.175 97 A CA 1.637 53.602 52.037 -0.120 0.000 0.627 97 A CB -0.312 18.688 19.000 -0.000 0.000 0.815 97 A HN 0.380 nan 8.150 nan 0.000 0.443 98 M N -0.485 119.058 119.600 -0.094 0.000 2.159 98 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 98 M C 2.506 178.783 176.300 -0.039 0.000 1.063 98 M CA 1.402 56.680 55.300 -0.037 0.000 1.110 98 M CB -0.375 32.208 32.600 -0.027 0.000 1.374 98 M HN 0.497 nan 8.290 nan 0.000 0.411 99 A N -0.258 122.499 122.820 -0.106 0.000 1.873 99 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 99 A C 2.219 179.824 177.584 0.035 0.000 1.186 99 A CA 1.530 53.550 52.037 -0.027 0.000 0.616 99 A CB -1.002 17.972 19.000 -0.043 0.000 0.823 99 A HN 0.271 nan 8.150 nan 0.000 0.442 100 V N 0.192 120.108 119.914 0.004 0.000 2.332 100 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 100 V C 2.827 178.995 176.094 0.123 0.000 1.055 100 V CA 2.381 64.710 62.300 0.048 0.000 1.038 100 V CB -0.760 31.035 31.823 -0.047 0.000 0.651 100 V HN 0.581 nan 8.190 nan 0.000 0.450 101 S N 0.138 115.902 115.700 0.106 0.000 2.368 101 S HA -0.192 4.277 4.470 -0.000 0.000 0.225 101 S C 2.186 176.838 174.600 0.087 0.000 1.030 101 S CA 1.498 59.777 58.200 0.132 0.000 0.999 101 S CB -0.485 62.768 63.200 0.089 0.000 0.844 101 S HN 0.674 nan 8.310 nan 0.000 0.459 102 A N 1.114 123.963 122.820 0.049 0.000 1.898 102 A HA -0.000 4.320 4.320 -0.000 0.000 0.216 102 A C 2.342 179.964 177.584 0.064 0.000 1.181 102 A CA 1.331 53.383 52.037 0.025 0.000 0.620 102 A CB -0.888 18.132 19.000 0.033 0.000 0.819 102 A HN 0.331 nan 8.150 nan 0.000 0.442 103 V N 0.582 120.550 119.914 0.090 0.000 2.332 103 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 103 V C 2.283 178.453 176.094 0.126 0.000 1.055 103 V CA 2.575 64.934 62.300 0.099 0.000 1.038 103 V CB -0.861 31.023 31.823 0.102 0.000 0.651 103 V HN 0.760 nan 8.190 nan 0.000 0.450 104 D N -0.223 120.292 120.400 0.192 0.000 2.117 104 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 104 D C 2.002 178.473 176.300 0.285 0.000 0.982 104 D CA 1.173 55.344 54.000 0.286 0.000 0.828 104 D CB -0.110 40.949 40.800 0.431 0.000 0.967 104 D HN 0.434 nan 8.370 nan 0.000 0.464 105 I N 0.640 121.313 120.570 0.172 0.000 2.163 105 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 105 I C 2.529 178.708 176.117 0.102 0.000 1.085 105 I CA 1.107 62.473 61.300 0.110 0.000 1.347 105 I CB -0.429 37.548 38.000 -0.038 0.000 1.044 105 I HN 0.078 nan 8.210 nan 0.000 0.408 106 A N 1.128 123.987 122.820 0.066 0.000 1.883 106 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 106 A C 2.309 179.906 177.584 0.022 0.000 1.186 106 A CA 1.619 53.677 52.037 0.034 0.000 0.624 106 A CB -0.958 18.060 19.000 0.030 0.000 0.822 106 A HN 0.403 nan 8.150 nan 0.000 0.444 107 L N -2.873 118.365 121.223 0.024 0.000 2.093 107 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 107 L C 2.613 179.411 176.870 -0.120 0.000 1.085 107 L CA 1.226 56.030 54.840 -0.060 0.000 0.755 107 L CB -0.559 41.446 42.059 -0.090 0.000 0.904 107 L HN 0.596 nan 8.230 nan 0.000 0.435 108 W N 0.717 122.003 121.300 -0.023 0.000 2.358 108 W HA -0.231 4.429 4.660 0.000 0.000 0.303 108 W C 2.435 178.922 176.519 -0.053 0.000 1.208 108 W CA 1.392 58.713 57.345 -0.039 0.000 1.274 108 W CB -0.331 29.101 29.460 -0.047 0.000 1.138 108 W HN 0.197 nan 8.180 nan 0.000 0.515 109 D N 0.081 120.563 120.400 0.137 0.000 2.123 109 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 109 D C 2.033 178.334 176.300 0.002 0.000 0.992 109 D CA 1.353 55.372 54.000 0.030 0.000 0.833 109 D CB -0.424 40.364 40.800 -0.020 0.000 0.954 109 D HN -0.001 nan 8.370 nan 0.000 0.455 110 L N 1.051 122.263 121.223 -0.019 0.000 2.012 110 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 110 L C 2.199 179.044 176.870 -0.043 0.000 1.073 110 L CA 1.931 56.746 54.840 -0.041 0.000 0.748 110 L CB -0.707 41.317 42.059 -0.059 0.000 0.891 110 L HN -0.046 nan 8.230 nan 0.000 0.431 111 K N -0.759 119.598 120.400 -0.072 0.000 2.063 111 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 111 K C 1.950 178.548 176.600 -0.004 0.000 1.048 111 K CA 1.492 57.730 56.287 -0.082 0.000 0.928 111 K CB -0.256 32.123 32.500 -0.203 0.000 0.713 111 K HN 0.471 nan 8.250 nan 0.000 0.442 112 A N 1.399 124.248 122.820 0.048 0.000 1.902 112 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 112 A C 2.100 179.699 177.584 0.025 0.000 1.181 112 A CA 1.342 53.416 52.037 0.062 0.000 0.623 112 A CB -0.419 18.630 19.000 0.081 0.000 0.818 112 A HN 0.334 nan 8.150 nan 0.000 0.443 113 R N -0.609 119.895 120.500 0.008 0.000 2.081 113 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 113 R C 1.933 178.234 176.300 0.000 0.000 1.131 113 R CA 1.451 57.551 56.100 -0.000 0.000 0.960 113 R CB -0.531 29.762 30.300 -0.011 0.000 0.856 113 R HN 0.491 nan 8.270 nan 0.000 0.436 114 L N 0.728 121.947 121.223 -0.006 0.000 2.353 114 L HA -0.131 4.208 4.340 -0.000 0.000 0.220 114 L C 1.732 178.601 176.870 -0.002 0.000 1.133 114 L CA 0.848 55.684 54.840 -0.007 0.000 0.798 114 L CB -0.124 41.924 42.059 -0.018 0.000 0.922 114 L HN 0.211 nan 8.230 nan 0.000 0.445 115 L N -0.651 120.574 121.223 0.004 0.000 2.607 115 L HA 0.238 4.578 4.340 -0.000 0.000 0.228 115 L C 1.366 178.244 176.870 0.013 0.000 1.123 115 L CA 0.157 55.003 54.840 0.009 0.000 0.890 115 L CB -0.351 41.719 42.059 0.017 0.000 1.103 115 L HN 0.364 nan 8.230 nan 0.000 0.468 116 G N 1.519 110.326 108.800 0.012 0.000 2.341 116 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.292 116 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.292 116 G C -0.044 174.869 174.900 0.020 0.000 1.021 116 G CA 0.365 45.474 45.100 0.014 0.000 0.905 116 G HN 0.297 nan 8.290 nan 0.000 0.508 117 L N -0.567 120.672 121.223 0.027 0.000 2.342 117 L HA 0.510 4.850 4.340 -0.000 0.000 0.271 117 L C -2.086 174.811 176.870 0.045 0.000 1.008 117 L CA -2.790 52.072 54.840 0.037 0.000 0.818 117 L CB 2.119 44.203 42.059 0.042 0.000 1.296 117 L HN -0.183 nan 8.230 nan 0.000 0.427 118 P HA -0.053 nan 4.420 nan 0.000 0.265 118 P C 0.424 177.795 177.300 0.117 0.000 1.193 118 P CA -0.233 62.928 63.100 0.101 0.000 0.765 118 P CB 0.607 32.382 31.700 0.126 0.000 0.823 119 L N 5.165 126.449 121.223 0.101 0.000 2.013 119 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 119 L C 2.164 179.124 176.870 0.149 0.000 1.073 119 L CA 2.496 57.391 54.840 0.092 0.000 0.753 119 L CB -1.709 40.319 42.059 -0.052 0.000 0.890 119 L HN 0.442 nan 8.230 nan 0.000 0.432 120 A N -1.028 121.955 122.820 0.271 0.000 1.997 120 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 120 A C 1.967 179.580 177.584 0.048 0.000 1.172 120 A CA 2.104 54.213 52.037 0.120 0.000 0.645 120 A CB -0.820 18.212 19.000 0.053 0.000 0.813 120 A HN 0.615 nan 8.150 nan 0.000 0.454 121 D N -0.682 119.754 120.400 0.060 0.000 2.323 121 D HA 0.149 4.788 4.640 -0.000 0.000 0.209 121 D C 1.900 178.221 176.300 0.034 0.000 0.973 121 D CA 1.050 55.068 54.000 0.030 0.000 0.874 121 D CB -0.076 40.743 40.800 0.032 0.000 0.930 121 D HN 0.463 nan 8.370 nan 0.000 0.521 122 A N 0.046 122.906 122.820 0.066 0.000 2.169 122 A HA 0.146 4.466 4.320 -0.000 0.000 0.212 122 A C 1.064 178.713 177.584 0.108 0.000 1.153 122 A CA 0.155 52.256 52.037 0.108 0.000 0.756 122 A CB 0.047 19.148 19.000 0.168 0.000 0.813 122 A HN 0.107 nan 8.150 nan 0.000 0.471 123 L N 0.026 121.253 121.223 0.007 0.000 2.352 123 L HA 0.381 4.721 4.340 -0.000 0.000 0.269 123 L C -2.409 174.409 176.870 -0.088 0.000 1.034 123 L CA -2.538 52.245 54.840 -0.096 0.000 0.806 123 L CB 1.057 43.003 42.059 -0.189 0.000 1.244 123 L HN -0.067 nan 8.230 nan 0.000 0.447 124 P HA 0.023 nan 4.420 nan 0.000 0.261 124 P C -1.073 176.114 177.300 -0.189 0.000 1.183 124 P CA 0.202 63.206 63.100 -0.160 0.000 0.761 124 P CB 0.307 31.923 31.700 -0.140 0.000 0.785 125 R N 3.127 123.468 120.500 -0.265 0.000 2.439 125 R HA 0.393 4.733 4.340 -0.000 0.000 0.310 125 R C -0.151 175.936 176.300 -0.355 0.000 0.955 125 R CA -0.409 55.567 56.100 -0.206 0.000 0.853 125 R CB 0.404 30.635 30.300 -0.115 0.000 1.171 125 R HN 0.295 nan 8.270 nan 0.000 0.449 126 F N 1.089 120.876 119.950 -0.272 0.000 2.559 126 F HA 0.240 4.767 4.527 -0.000 0.000 0.286 126 F C 0.563 176.139 175.800 -0.373 0.000 1.108 126 F CA 0.134 57.881 58.000 -0.420 0.000 1.436 126 F CB 0.421 38.970 39.000 -0.752 0.000 1.130 126 F HN 0.371 nan 8.300 nan 0.000 0.584 127 H N -0.906 118.254 119.070 0.149 0.000 2.538 127 H HA 0.529 5.085 4.556 -0.000 0.000 0.353 127 H C 0.821 176.166 175.328 0.029 0.000 1.109 127 H CA -0.332 55.766 56.048 0.083 0.000 1.192 127 H CB 1.663 31.469 29.762 0.074 0.000 1.555 127 H HN 0.047 nan 8.280 nan 0.000 0.518 128 A N 2.913 125.815 122.820 0.137 0.000 1.872 128 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 128 A C 0.832 178.440 177.584 0.040 0.000 1.187 128 A CA 1.365 53.438 52.037 0.060 0.000 0.614 128 A CB -0.082 18.943 19.000 0.041 0.000 0.826 128 A HN 0.829 nan 8.150 nan 0.000 0.442 129 E N -1.402 118.825 120.200 0.045 0.000 2.423 129 E HA 0.590 4.940 4.350 -0.000 0.000 0.269 129 E C -1.088 175.508 176.600 -0.008 0.000 0.948 129 E CA -0.814 55.588 56.400 0.004 0.000 0.802 129 E CB 1.865 31.556 29.700 -0.016 0.000 1.339 129 E HN 0.389 nan 8.360 nan 0.000 0.445 130 V N -2.387 117.505 119.914 -0.036 0.000 2.709 130 V HA 0.617 4.737 4.120 -0.000 0.000 0.308 130 V C -2.758 173.303 176.094 -0.055 0.000 1.062 130 V CA -2.479 59.784 62.300 -0.063 0.000 0.901 130 V CB 1.348 33.153 31.823 -0.030 0.000 1.003 130 V HN 0.655 nan 8.190 nan 0.000 0.425 131 P HA 0.495 nan 4.420 nan 0.000 0.277 131 P C -0.531 176.767 177.300 -0.003 0.000 1.240 131 P CA -0.161 62.922 63.100 -0.029 0.000 0.798 131 P CB 1.891 33.585 31.700 -0.010 0.000 0.979 132 V N 0.579 120.464 119.914 -0.049 0.000 3.102 132 V HA 0.781 4.901 4.120 -0.000 0.000 0.312 132 V C -1.386 174.632 176.094 -0.126 0.000 1.135 132 V CA -1.179 61.053 62.300 -0.114 0.000 1.022 132 V CB 1.823 33.535 31.823 -0.184 0.000 1.056 132 V HN 0.608 nan 8.190 nan 0.000 0.436 133 Y N 0.376 120.495 120.300 -0.303 0.000 2.462 133 Y HA 0.929 5.479 4.550 -0.000 0.000 0.346 133 Y C 0.220 175.855 175.900 -0.442 0.000 0.976 133 Y CA -0.886 56.977 58.100 -0.395 0.000 1.044 133 Y CB 1.592 39.727 38.460 -0.541 0.000 1.230 133 Y HN 1.024 nan 8.280 nan 0.000 0.455 134 G N 1.302 109.791 108.800 -0.519 0.000 2.364 134 G HA2 0.389 4.349 3.960 -0.000 0.000 0.267 134 G HA3 0.389 4.349 3.960 -0.000 0.000 0.267 134 G C -0.885 173.421 174.900 -0.990 0.000 1.233 134 G CA -0.505 43.817 45.100 -1.298 0.000 0.885 134 G HN 0.702 nan 8.290 nan 0.000 0.490 135 S N 1.707 116.915 115.700 -0.819 0.000 2.552 135 S HA 0.827 5.297 4.470 -0.000 0.000 0.314 135 S C 0.557 175.211 174.600 0.089 0.000 1.099 135 S CA 0.247 58.349 58.200 -0.164 0.000 1.070 135 S CB 1.059 64.252 63.200 -0.011 0.000 0.998 135 S HN 1.249 nan 8.310 nan 0.000 0.474 136 G N 2.361 111.222 108.800 0.103 0.000 3.218 136 G HA2 0.474 4.434 3.960 -0.000 0.000 0.143 136 G HA3 0.474 4.434 3.960 -0.000 0.000 0.143 136 G C 0.538 174.966 174.900 -0.786 0.000 1.220 136 G CA 0.353 45.230 45.100 -0.372 0.000 1.382 136 G HN 1.778 nan 8.290 nan 0.000 0.682 137 G N 0.245 108.682 108.800 -0.605 0.000 2.314 137 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.292 137 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.292 137 G C 0.115 174.645 174.900 -0.617 0.000 1.059 137 G CA 0.370 45.214 45.100 -0.427 0.000 0.982 137 G HN 0.819 nan 8.290 nan 0.000 0.505 138 F N -0.008 119.561 119.950 -0.635 0.000 2.553 138 F HA 0.284 4.811 4.527 -0.000 0.000 0.356 138 F C 2.243 177.812 175.800 -0.386 0.000 1.142 138 F CA 0.530 58.216 58.000 -0.523 0.000 1.322 138 F CB 0.351 38.924 39.000 -0.711 0.000 1.126 138 F HN 0.184 nan 8.300 nan 0.000 0.599 139 T N -3.192 111.360 114.554 -0.004 0.000 3.098 139 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 139 T C 1.470 176.196 174.700 0.043 0.000 1.145 139 T CA 0.838 62.941 62.100 0.006 0.000 1.092 139 T CB -0.545 68.331 68.868 0.014 0.000 0.908 139 T HN 0.589 nan 8.240 nan 0.000 0.526 140 S N -0.831 114.906 115.700 0.062 0.000 2.548 140 S HA 0.181 4.651 4.470 -0.000 0.000 0.215 140 S C 0.025 174.858 174.600 0.387 0.000 0.976 140 S CA -0.731 57.567 58.200 0.163 0.000 0.908 140 S CB -0.473 62.794 63.200 0.112 0.000 0.781 140 S HN 0.388 nan 8.310 nan 0.000 0.519 141 Y N 3.520 123.888 120.300 0.113 0.000 2.359 141 Y HA 0.492 5.042 4.550 -0.000 0.000 0.334 141 Y C -2.359 173.532 175.900 -0.015 0.000 1.058 141 Y CA -3.385 54.714 58.100 -0.002 0.000 1.244 141 Y CB -0.142 38.275 38.460 -0.071 0.000 1.187 141 Y HN 0.134 nan 8.280 nan 0.000 0.510 142 P HA 0.058 nan 4.420 nan 0.000 0.270 142 P C 1.011 178.311 177.300 0.000 0.000 1.223 142 P CA -0.082 63.037 63.100 0.031 0.000 0.785 142 P CB 0.871 32.563 31.700 -0.013 0.000 0.923 143 L N 0.382 121.607 121.223 0.004 0.000 2.064 143 L HA -0.359 3.981 4.340 -0.000 0.000 0.216 143 L C 2.917 179.757 176.870 -0.050 0.000 1.077 143 L CA 2.704 57.538 54.840 -0.010 0.000 0.766 143 L CB -1.288 40.769 42.059 -0.003 0.000 0.890 143 L HN 0.414 nan 8.230 nan 0.000 0.435 144 R N 0.448 120.902 120.500 -0.077 0.000 2.066 144 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 144 R C 2.247 178.439 176.300 -0.179 0.000 1.131 144 R CA 1.593 57.627 56.100 -0.110 0.000 0.955 144 R CB -1.286 28.953 30.300 -0.102 0.000 0.851 144 R HN 0.361 nan 8.270 nan 0.000 0.432 145 R N -0.158 120.187 120.500 -0.259 0.000 2.103 145 R HA -0.135 4.205 4.340 -0.000 0.000 0.242 145 R C 2.358 178.439 176.300 -0.365 0.000 1.142 145 R CA 1.981 57.807 56.100 -0.457 0.000 0.960 145 R CB -0.508 29.328 30.300 -0.773 0.000 0.858 145 R HN 0.419 nan 8.270 nan 0.000 0.439 146 L N 1.047 122.185 121.223 -0.141 0.000 1.994 146 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 146 L C 2.102 178.926 176.870 -0.077 0.000 1.071 146 L CA 1.833 56.681 54.840 0.012 0.000 0.745 146 L CB -0.549 41.545 42.059 0.059 0.000 0.892 146 L HN 0.231 nan 8.230 nan 0.000 0.431 147 Q N -0.568 119.179 119.800 -0.089 0.000 2.124 147 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 147 Q C 2.083 178.002 176.000 -0.135 0.000 0.977 147 Q CA 2.014 57.763 55.803 -0.089 0.000 0.850 147 Q CB -0.180 28.516 28.738 -0.070 0.000 0.901 147 Q HN 0.667 nan 8.270 nan 0.000 0.429 148 E N 0.665 120.757 120.200 -0.180 0.000 2.051 148 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 148 E C 2.052 178.473 176.600 -0.300 0.000 0.991 148 E CA 0.998 57.268 56.400 -0.217 0.000 0.799 148 E CB -0.104 29.455 29.700 -0.235 0.000 0.748 148 E HN 0.342 nan 8.360 nan 0.000 0.449 149 Q N 0.568 120.136 119.800 -0.388 0.000 2.084 149 Q HA -0.168 4.171 4.340 -0.000 0.000 0.202 149 Q C 2.251 177.803 176.000 -0.747 0.000 0.978 149 Q CA 1.119 56.533 55.803 -0.649 0.000 0.844 149 Q CB 0.087 28.450 28.738 -0.625 0.000 0.898 149 Q HN 0.286 nan 8.270 nan 0.000 0.426 150 L N -1.028 119.990 121.223 -0.341 0.000 2.068 150 L HA 0.003 4.343 4.340 -0.000 0.000 0.204 150 L C 2.452 179.308 176.870 -0.022 0.000 1.076 150 L CA 0.906 55.708 54.840 -0.063 0.000 0.753 150 L CB -0.828 41.252 42.059 0.035 0.000 0.910 150 L HN 0.377 nan 8.230 nan 0.000 0.439 151 G N 0.137 108.887 108.800 -0.082 0.000 2.442 151 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 151 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 151 G C 1.566 176.427 174.900 -0.065 0.000 1.141 151 G CA 0.847 45.914 45.100 -0.055 0.000 0.763 151 G HN 0.486 nan 8.290 nan 0.000 0.554 152 G N -0.184 108.520 108.800 -0.160 0.000 2.422 152 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 152 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 152 G C 1.580 176.458 174.900 -0.038 0.000 1.146 152 G CA 0.870 45.879 45.100 -0.152 0.000 0.769 152 G HN 0.378 nan 8.290 nan 0.000 0.547 153 W N 1.113 122.406 121.300 -0.010 0.000 2.355 153 W HA 0.078 4.738 4.660 -0.000 0.000 0.309 153 W C 2.939 179.442 176.519 -0.027 0.000 1.206 153 W CA 0.911 58.248 57.345 -0.014 0.000 1.284 153 W CB -1.154 28.307 29.460 0.002 0.000 1.145 153 W HN 0.332 nan 8.180 nan 0.000 0.502 154 A N 0.630 123.567 122.820 0.195 0.000 1.883 154 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 154 A C 2.204 179.823 177.584 0.058 0.000 1.186 154 A CA 2.876 54.971 52.037 0.097 0.000 0.624 154 A CB -1.198 17.838 19.000 0.061 0.000 0.822 154 A HN 0.135 nan 8.150 nan 0.000 0.444 155 A N -0.661 122.183 122.820 0.040 0.000 2.121 155 A HA 0.319 4.639 4.320 -0.000 0.000 0.218 155 A C 2.069 179.669 177.584 0.026 0.000 1.154 155 A CA 1.466 53.514 52.037 0.019 0.000 0.679 155 A CB -0.642 18.358 19.000 -0.000 0.000 0.795 155 A HN 1.089 nan 8.150 nan 0.000 0.458 156 A N -1.430 121.421 122.820 0.051 0.000 2.276 156 A HA 0.427 4.747 4.320 -0.000 0.000 0.212 156 A C 1.651 179.251 177.584 0.025 0.000 1.230 156 A CA 0.984 53.048 52.037 0.046 0.000 0.844 156 A CB -1.081 17.968 19.000 0.082 0.000 0.860 156 A HN 1.783 nan 8.150 nan 0.000 0.486 157 G N -0.740 108.075 108.800 0.024 0.000 2.143 157 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.248 157 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.248 157 G C 0.044 174.941 174.900 -0.005 0.000 0.991 157 G CA 0.325 45.428 45.100 0.006 0.000 0.689 157 G HN 0.509 nan 8.290 nan 0.000 0.522 158 I N 1.796 122.372 120.570 0.009 0.000 2.301 158 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 158 I C -0.972 175.146 176.117 0.002 0.000 1.046 158 I CA -2.189 59.098 61.300 -0.022 0.000 1.282 158 I CB 1.594 39.556 38.000 -0.064 0.000 1.409 158 I HN -0.083 nan 8.210 nan 0.000 0.484 159 P HA 0.154 nan 4.420 nan 0.000 0.261 159 P C -0.314 176.971 177.300 -0.025 0.000 1.352 159 P CA 0.099 63.193 63.100 -0.010 0.000 0.891 159 P CB 0.321 32.014 31.700 -0.012 0.000 1.383 160 R N -0.003 120.472 120.500 -0.043 0.000 2.564 160 R HA 0.586 4.926 4.340 -0.000 0.000 0.284 160 R C -0.937 175.318 176.300 -0.075 0.000 1.031 160 R CA -0.870 55.175 56.100 -0.093 0.000 0.904 160 R CB 2.795 32.999 30.300 -0.160 0.000 1.199 160 R HN -0.175 nan 8.270 nan 0.000 0.443 161 V N -1.360 118.505 119.914 -0.082 0.000 2.971 161 V HA 0.660 4.780 4.120 -0.000 0.000 0.309 161 V C -1.008 175.039 176.094 -0.079 0.000 1.130 161 V CA -1.001 61.295 62.300 -0.007 0.000 0.964 161 V CB 2.250 34.171 31.823 0.163 0.000 1.029 161 V HN 0.718 nan 8.190 nan 0.000 0.427 162 K N 4.080 124.470 120.400 -0.017 0.000 2.270 162 K HA 0.847 5.167 4.320 -0.000 0.000 0.255 162 K C -0.605 175.991 176.600 -0.006 0.000 0.936 162 K CA -0.857 55.389 56.287 -0.067 0.000 0.809 162 K CB 2.003 34.449 32.500 -0.092 0.000 1.131 162 K HN 1.029 nan 8.250 nan 0.000 0.427 163 M N 0.866 120.432 119.600 -0.056 0.000 2.796 163 M HA 0.588 5.068 4.480 -0.000 0.000 0.303 163 M C -1.050 175.184 176.300 -0.111 0.000 1.240 163 M CA -1.094 54.144 55.300 -0.103 0.000 0.831 163 M CB 1.639 34.179 32.600 -0.099 0.000 1.750 163 M HN 0.118 nan 8.290 nan 0.000 0.484 164 K N 1.916 122.234 120.400 -0.136 0.000 2.130 164 K HA 0.696 5.016 4.320 -0.000 0.000 0.268 164 K C -0.555 175.986 176.600 -0.098 0.000 0.983 164 K CA -0.521 55.720 56.287 -0.077 0.000 0.893 164 K CB 1.940 34.431 32.500 -0.013 0.000 1.066 164 K HN 0.751 nan 8.250 nan 0.000 0.450 165 V N -2.993 116.862 119.914 -0.098 0.000 3.141 165 V HA 0.867 4.987 4.120 -0.000 0.000 0.312 165 V C 0.746 176.762 176.094 -0.129 0.000 1.157 165 V CA -0.119 62.116 62.300 -0.109 0.000 1.041 165 V CB 1.448 33.189 31.823 -0.137 0.000 1.071 165 V HN 0.859 nan 8.190 nan 0.000 0.441 166 G N 1.046 109.769 108.800 -0.128 0.000 2.213 166 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.226 166 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.226 166 G C 0.980 175.793 174.900 -0.146 0.000 0.992 166 G CA 0.860 45.808 45.100 -0.253 0.000 0.632 166 G HN 1.102 nan 8.290 nan 0.000 0.511 167 R N 0.795 121.248 120.500 -0.079 0.000 2.073 167 R HA 0.125 4.465 4.340 -0.000 0.000 0.229 167 R C 0.544 176.840 176.300 -0.005 0.000 1.120 167 R CA 1.559 57.641 56.100 -0.030 0.000 0.967 167 R CB -0.009 30.289 30.300 -0.003 0.000 0.862 167 R HN 0.436 nan 8.270 nan 0.000 0.436 168 E N -0.240 119.958 120.200 -0.003 0.000 3.108 168 E HA 0.153 4.503 4.350 -0.000 0.000 0.228 168 E C -2.240 174.369 176.600 0.016 0.000 1.176 168 E CA -1.791 54.621 56.400 0.020 0.000 0.881 168 E CB 1.926 31.643 29.700 0.029 0.000 1.354 168 E HN 0.182 nan 8.360 nan 0.000 0.400 169 P HA -0.288 nan 4.420 nan 0.000 0.216 169 P C 1.357 178.686 177.300 0.048 0.000 1.154 169 P CA 1.144 64.201 63.100 -0.072 0.000 0.865 169 P CB 0.293 32.034 31.700 0.069 0.000 0.789 170 E N 0.016 120.306 120.200 0.150 0.000 2.169 170 E HA -0.280 4.070 4.350 -0.000 0.000 0.202 170 E C 1.353 178.041 176.600 0.147 0.000 1.016 170 E CA 1.415 57.919 56.400 0.172 0.000 0.817 170 E CB -0.135 29.636 29.700 0.117 0.000 0.736 170 E HN 0.104 nan 8.360 nan 0.000 0.462 171 K N 0.254 120.713 120.400 0.099 0.000 2.361 171 K HA -0.016 4.304 4.320 -0.000 0.000 0.196 171 K C 1.415 178.075 176.600 0.100 0.000 1.039 171 K CA 0.444 56.784 56.287 0.088 0.000 1.001 171 K CB 0.144 32.680 32.500 0.060 0.000 0.795 171 K HN 0.188 nan 8.250 nan 0.000 0.495 172 D N 0.630 121.092 120.400 0.104 0.000 2.149 172 D HA -0.057 4.582 4.640 -0.000 0.000 0.201 172 D C -1.030 175.432 176.300 0.270 0.000 0.972 172 D CA 0.702 54.781 54.000 0.133 0.000 0.835 172 D CB -1.110 39.746 40.800 0.093 0.000 0.966 172 D HN 0.101 nan 8.370 nan 0.000 0.476 173 P HA -0.163 nan 4.420 nan 0.000 0.215 173 P C 1.388 178.810 177.300 0.204 0.000 1.157 173 P CA 1.367 64.672 63.100 0.342 0.000 0.874 173 P CB 0.011 31.899 31.700 0.313 0.000 0.790 174 E N -0.443 119.847 120.200 0.150 0.000 2.106 174 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 174 E C 2.123 178.768 176.600 0.075 0.000 0.984 174 E CA 0.809 57.268 56.400 0.098 0.000 0.806 174 E CB -0.128 29.620 29.700 0.079 0.000 0.750 174 E HN 0.056 nan 8.360 nan 0.000 0.458 175 R N 0.095 120.638 120.500 0.072 0.000 2.073 175 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 175 R C 2.648 178.959 176.300 0.017 0.000 1.134 175 R CA 1.693 57.815 56.100 0.035 0.000 0.952 175 R CB -0.425 29.886 30.300 0.018 0.000 0.850 175 R HN 0.268 nan 8.270 nan 0.000 0.433 176 V N -1.161 118.771 119.914 0.029 0.000 2.515 176 V HA -0.139 3.981 4.120 -0.000 0.000 0.250 176 V C 2.026 178.142 176.094 0.036 0.000 1.058 176 V CA 1.373 63.671 62.300 -0.003 0.000 1.064 176 V CB -0.544 31.262 31.823 -0.027 0.000 0.675 176 V HN 0.171 nan 8.190 nan 0.000 0.461 177 R N 0.883 121.424 120.500 0.069 0.000 2.092 177 R HA 0.072 4.412 4.340 -0.000 0.000 0.231 177 R C 2.585 178.905 176.300 0.034 0.000 1.119 177 R CA 1.483 57.619 56.100 0.059 0.000 0.970 177 R CB -0.672 29.670 30.300 0.071 0.000 0.864 177 R HN 0.619 nan 8.270 nan 0.000 0.440 178 A N 1.165 124.002 122.820 0.028 0.000 1.902 178 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 178 A C 2.343 179.928 177.584 0.001 0.000 1.181 178 A CA 1.688 53.732 52.037 0.012 0.000 0.623 178 A CB -0.614 18.392 19.000 0.010 0.000 0.818 178 A HN 0.396 nan 8.150 nan 0.000 0.443 179 A N -0.230 122.589 122.820 -0.001 0.000 1.933 179 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 179 A C 2.178 179.762 177.584 -0.001 0.000 1.175 179 A CA 2.099 54.132 52.037 -0.008 0.000 0.628 179 A CB -0.404 18.585 19.000 -0.017 0.000 0.814 179 A HN 0.480 nan 8.150 nan 0.000 0.444 180 R N 0.219 120.723 120.500 0.006 0.000 2.075 180 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 180 R C 2.038 178.343 176.300 0.009 0.000 1.126 180 R CA 1.820 57.927 56.100 0.010 0.000 0.963 180 R CB -0.620 29.692 30.300 0.020 0.000 0.858 180 R HN 0.527 nan 8.270 nan 0.000 0.435 181 E N 0.261 120.466 120.200 0.008 0.000 2.070 181 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 181 E C 1.643 178.241 176.600 -0.003 0.000 1.004 181 E CA 1.801 58.203 56.400 0.004 0.000 0.805 181 E CB -0.246 29.456 29.700 0.004 0.000 0.744 181 E HN 0.434 nan 8.360 nan 0.000 0.451 182 A N 1.141 123.957 122.820 -0.008 0.000 1.933 182 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 182 A C 2.248 179.827 177.584 -0.009 0.000 1.175 182 A CA 1.663 53.690 52.037 -0.017 0.000 0.628 182 A CB -0.590 18.393 19.000 -0.029 0.000 0.814 182 A HN 0.488 nan 8.150 nan 0.000 0.444 183 I N -4.780 115.791 120.570 0.001 0.000 3.708 183 I HA 0.490 4.660 4.170 -0.000 0.000 0.302 183 I C 1.057 177.180 176.117 0.009 0.000 1.255 183 I CA 0.423 61.730 61.300 0.011 0.000 1.362 183 I CB -0.422 37.591 38.000 0.023 0.000 1.100 183 I HN 0.455 nan 8.210 nan 0.000 0.434 184 G N 2.169 110.973 108.800 0.006 0.000 2.760 184 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.246 184 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.246 184 G C 0.139 175.044 174.900 0.007 0.000 1.359 184 G CA 0.096 45.200 45.100 0.006 0.000 0.861 184 G HN 0.313 nan 8.290 nan 0.000 0.541 185 E N -0.115 120.089 120.200 0.007 0.000 2.435 185 E HA 0.007 4.357 4.350 -0.000 0.000 0.195 185 E C 2.562 179.165 176.600 0.006 0.000 1.029 185 E CA 1.221 57.625 56.400 0.007 0.000 0.865 185 E CB 0.060 29.765 29.700 0.008 0.000 0.833 185 E HN 0.710 nan 8.360 nan 0.000 0.510 186 S N -0.533 115.170 115.700 0.005 0.000 2.548 186 S HA 0.096 4.566 4.470 -0.000 0.000 0.215 186 S C 0.942 175.543 174.600 0.002 0.000 0.976 186 S CA -0.331 57.871 58.200 0.004 0.000 0.908 186 S CB 0.222 63.424 63.200 0.003 0.000 0.781 186 S HN -0.125 nan 8.310 nan 0.000 0.519 187 V N 2.773 122.689 119.914 0.004 0.000 2.465 187 V HA 0.311 4.431 4.120 -0.000 0.000 0.279 187 V C 0.311 176.400 176.094 -0.008 0.000 1.045 187 V CA -0.821 61.480 62.300 0.001 0.000 0.938 187 V CB 1.336 33.167 31.823 0.013 0.000 0.986 187 V HN 0.455 nan 8.190 nan 0.000 0.467 188 E N 3.507 123.693 120.200 -0.023 0.000 2.376 188 E HA 0.173 4.523 4.350 -0.000 0.000 0.266 188 E C -1.100 175.466 176.600 -0.057 0.000 1.009 188 E CA -0.557 55.820 56.400 -0.038 0.000 0.902 188 E CB 0.964 30.629 29.700 -0.057 0.000 0.972 188 E HN 0.488 nan 8.360 nan 0.000 0.439 189 L N 6.046 127.244 121.223 -0.042 0.000 2.280 189 L HA 0.382 4.722 4.340 -0.000 0.000 0.287 189 L C -1.021 175.812 176.870 -0.062 0.000 1.023 189 L CA -0.144 54.666 54.840 -0.050 0.000 0.819 189 L CB 1.092 43.135 42.059 -0.026 0.000 1.212 189 L HN 0.619 nan 8.230 nan 0.000 0.420 190 M N 5.821 125.349 119.600 -0.119 0.000 2.508 190 M HA 0.713 5.193 4.480 -0.000 0.000 0.327 190 M C -0.600 175.670 176.300 -0.051 0.000 1.160 190 M CA -0.950 54.289 55.300 -0.101 0.000 0.980 190 M CB 2.102 34.426 32.600 -0.460 0.000 1.693 190 M HN 0.441 nan 8.290 nan 0.000 0.452 191 V N -1.685 118.258 119.914 0.048 0.000 2.914 191 V HA 0.794 4.914 4.120 -0.000 0.000 0.314 191 V C -1.691 174.445 176.094 0.071 0.000 1.084 191 V CA -0.556 61.734 62.300 -0.016 0.000 0.963 191 V CB 2.167 33.889 31.823 -0.167 0.000 1.025 191 V HN 0.842 nan 8.190 nan 0.000 0.432 192 D N 2.182 122.597 120.400 0.025 0.000 2.757 192 D HA 0.767 5.407 4.640 -0.000 0.000 0.249 192 D C 0.266 176.566 176.300 0.000 0.000 1.168 192 D CA 0.087 54.116 54.000 0.048 0.000 0.870 192 D CB 2.298 43.140 40.800 0.069 0.000 1.411 192 D HN 0.902 nan 8.370 nan 0.000 0.525 193 A N 3.533 126.343 122.820 -0.016 0.000 2.343 193 A HA 0.157 4.477 4.320 -0.000 0.000 0.223 193 A C 0.819 178.332 177.584 -0.118 0.000 1.214 193 A CA -0.135 51.816 52.037 -0.142 0.000 0.900 193 A CB -0.260 18.585 19.000 -0.257 0.000 0.942 193 A HN 0.733 nan 8.150 nan 0.000 0.507 194 N N -0.543 118.143 118.700 -0.023 0.000 2.710 194 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 194 N C 0.850 176.364 175.510 0.005 0.000 1.059 194 N CA 1.253 54.315 53.050 0.021 0.000 0.720 194 N CB -1.427 37.098 38.487 0.063 0.000 0.983 194 N HN 1.390 nan 8.380 nan 0.000 0.544 195 G N -1.688 107.099 108.800 -0.021 0.000 2.147 195 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 195 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 195 G C 0.956 175.823 174.900 -0.054 0.000 1.005 195 G CA 0.803 45.899 45.100 -0.006 0.000 0.713 195 G HN 0.844 nan 8.290 nan 0.000 0.515 196 A N -1.307 121.397 122.820 -0.193 0.000 2.067 196 A HA 0.500 4.820 4.320 -0.000 0.000 0.217 196 A C 0.904 178.392 177.584 -0.160 0.000 1.156 196 A CA 1.064 52.952 52.037 -0.248 0.000 0.683 196 A CB -0.061 18.687 19.000 -0.420 0.000 0.808 196 A HN 0.686 nan 8.150 nan 0.000 0.455 197 Y N 0.278 120.625 120.300 0.078 0.000 2.419 197 Y HA 0.449 4.999 4.550 -0.000 0.000 0.328 197 Y C 1.292 177.247 175.900 0.091 0.000 1.162 197 Y CA -1.017 57.146 58.100 0.105 0.000 1.174 197 Y CB 0.416 38.972 38.460 0.160 0.000 1.228 197 Y HN 0.129 nan 8.280 nan 0.000 0.473 198 T N -1.683 113.036 114.554 0.274 0.000 2.813 198 T HA 0.218 4.568 4.350 -0.000 0.000 0.297 198 T C 1.192 175.991 174.700 0.164 0.000 1.036 198 T CA -0.500 61.703 62.100 0.172 0.000 1.044 198 T CB 0.728 69.670 68.868 0.123 0.000 0.993 198 T HN 0.703 nan 8.240 nan 0.000 0.535 199 R N 0.564 121.128 120.500 0.107 0.000 2.115 199 R HA -0.107 4.233 4.340 -0.000 0.000 0.239 199 R C 2.569 178.909 176.300 0.067 0.000 1.133 199 R CA 1.720 57.869 56.100 0.082 0.000 0.935 199 R CB -0.229 30.103 30.300 0.053 0.000 0.853 199 R HN 0.520 nan 8.270 nan 0.000 0.433 200 K N 0.567 120.997 120.400 0.050 0.000 2.217 200 K HA -0.139 4.181 4.320 -0.000 0.000 0.202 200 K C 2.027 178.642 176.600 0.024 0.000 1.051 200 K CA 0.998 57.300 56.287 0.026 0.000 0.952 200 K CB -0.078 32.429 32.500 0.011 0.000 0.736 200 K HN 0.332 nan 8.250 nan 0.000 0.453 201 Q N 0.414 120.248 119.800 0.056 0.000 2.084 201 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 201 Q C 1.910 177.915 176.000 0.009 0.000 0.978 201 Q CA 1.570 57.414 55.803 0.069 0.000 0.844 201 Q CB -0.041 28.809 28.738 0.188 0.000 0.898 201 Q HN 0.260 nan 8.270 nan 0.000 0.426 202 A N 0.543 123.382 122.820 0.031 0.000 1.933 202 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 202 A C 1.954 179.536 177.584 -0.005 0.000 1.175 202 A CA 1.190 53.232 52.037 0.007 0.000 0.628 202 A CB -0.664 18.456 19.000 0.199 0.000 0.814 202 A HN 0.472 nan 8.150 nan 0.000 0.444 203 L N -1.568 119.651 121.223 -0.005 0.000 2.046 203 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 203 L C 2.297 179.092 176.870 -0.125 0.000 1.077 203 L CA 2.327 57.142 54.840 -0.041 0.000 0.747 203 L CB -0.953 41.091 42.059 -0.025 0.000 0.896 203 L HN 0.548 nan 8.230 nan 0.000 0.432 204 Y N -1.165 118.972 120.300 -0.272 0.000 2.097 204 Y HA -0.318 4.232 4.550 -0.000 0.000 0.282 204 Y C 2.077 177.621 175.900 -0.593 0.000 1.152 204 Y CA 2.177 59.998 58.100 -0.465 0.000 1.136 204 Y CB -0.728 37.349 38.460 -0.640 0.000 0.975 204 Y HN 0.242 nan 8.280 nan 0.000 0.498 205 W N -0.179 120.879 121.300 -0.404 0.000 2.402 205 W HA -0.064 4.596 4.660 -0.000 0.000 0.286 205 W C 2.658 178.892 176.519 -0.476 0.000 1.221 205 W CA 1.315 58.269 57.345 -0.652 0.000 1.257 205 W CB -0.607 28.425 29.460 -0.713 0.000 1.120 205 W HN 0.171 nan 8.180 nan 0.000 0.551 206 A N 0.646 123.436 122.820 -0.051 0.000 1.883 206 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 206 A C 2.250 179.793 177.584 -0.068 0.000 1.186 206 A CA 2.118 54.173 52.037 0.029 0.000 0.624 206 A CB -1.508 17.504 19.000 0.018 0.000 0.822 206 A HN 0.318 nan 8.150 nan 0.000 0.444 207 G N -0.832 107.833 108.800 -0.225 0.000 2.402 207 G HA2 0.063 4.023 3.960 -0.000 0.000 0.216 207 G HA3 0.063 4.023 3.960 -0.000 0.000 0.216 207 G C 1.745 176.464 174.900 -0.302 0.000 1.162 207 G CA 1.409 46.361 45.100 -0.247 0.000 0.777 207 G HN 0.791 nan 8.290 nan 0.000 0.539 208 A N 0.646 123.129 122.820 -0.562 0.000 1.877 208 A HA 0.131 4.451 4.320 -0.000 0.000 0.216 208 A C 2.136 179.631 177.584 -0.148 0.000 1.186 208 A CA 1.426 53.132 52.037 -0.551 0.000 0.620 208 A CB -0.565 17.823 19.000 -1.020 0.000 0.822 208 A HN 0.247 nan 8.150 nan 0.000 0.443 209 F N 0.323 120.312 119.950 0.065 0.000 2.216 209 F HA -0.054 4.473 4.527 -0.000 0.000 0.300 209 F C 2.766 178.590 175.800 0.041 0.000 1.085 209 F CA 0.341 58.404 58.000 0.105 0.000 1.326 209 F CB -1.016 38.073 39.000 0.148 0.000 1.027 209 F HN 0.268 nan 8.300 nan 0.000 0.497 210 A N 0.378 123.297 122.820 0.165 0.000 1.877 210 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 210 A C 2.391 180.006 177.584 0.052 0.000 1.186 210 A CA 1.449 53.537 52.037 0.085 0.000 0.620 210 A CB -0.622 18.399 19.000 0.036 0.000 0.822 210 A HN 0.298 nan 8.150 nan 0.000 0.443 211 R N -0.414 120.094 120.500 0.014 0.000 2.115 211 R HA -0.108 4.231 4.340 -0.000 0.000 0.230 211 R C 2.049 178.374 176.300 0.041 0.000 1.111 211 R CA 1.555 57.658 56.100 0.004 0.000 0.976 211 R CB -0.248 30.027 30.300 -0.041 0.000 0.870 211 R HN 0.684 nan 8.270 nan 0.000 0.445 212 E N -0.176 120.077 120.200 0.088 0.000 2.051 212 E HA -0.019 4.330 4.350 -0.000 0.000 0.189 212 E C 0.987 177.656 176.600 0.116 0.000 0.979 212 E CA 1.110 57.584 56.400 0.123 0.000 0.803 212 E CB 0.277 30.106 29.700 0.215 0.000 0.761 212 E HN 0.295 nan 8.360 nan 0.000 0.451 213 A N -0.499 122.397 122.820 0.127 0.000 2.630 213 A HA 0.449 4.769 4.320 -0.000 0.000 0.287 213 A C 0.999 178.622 177.584 0.065 0.000 1.040 213 A CA 0.274 52.362 52.037 0.085 0.000 0.971 213 A CB 0.417 19.462 19.000 0.076 0.000 1.241 213 A HN 0.217 nan 8.150 nan 0.000 0.558 214 G N 1.259 110.100 108.800 0.069 0.000 2.283 214 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.280 214 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.280 214 G C 0.336 175.267 174.900 0.051 0.000 1.029 214 G CA 0.506 45.637 45.100 0.051 0.000 0.840 214 G HN 1.725 nan 8.290 nan 0.000 0.505 215 I N -1.851 118.762 120.570 0.072 0.000 2.892 215 I HA 0.508 4.678 4.170 -0.000 0.000 0.287 215 I C 1.039 177.198 176.117 0.070 0.000 1.205 215 I CA 0.524 61.861 61.300 0.062 0.000 1.409 215 I CB 1.033 39.078 38.000 0.076 0.000 1.367 215 I HN 0.332 nan 8.210 nan 0.000 0.597 216 S N 3.277 119.021 115.700 0.074 0.000 2.780 216 S HA 0.291 4.761 4.470 -0.000 0.000 0.248 216 S C -0.318 174.374 174.600 0.153 0.000 1.036 216 S CA -0.357 57.893 58.200 0.084 0.000 1.061 216 S CB -0.286 62.949 63.200 0.058 0.000 1.037 216 S HN 0.816 nan 8.310 nan 0.000 0.584 217 Y N 0.769 121.052 120.300 -0.028 0.000 2.399 217 Y HA 0.621 5.171 4.550 -0.000 0.000 0.327 217 Y C -2.136 173.751 175.900 -0.021 0.000 1.111 217 Y CA -1.179 56.896 58.100 -0.042 0.000 1.047 217 Y CB 1.572 39.968 38.460 -0.106 0.000 1.259 217 Y HN 0.180 nan 8.280 nan 0.000 0.434 218 L N 6.542 127.645 121.223 -0.201 0.000 2.388 218 L HA 0.499 4.838 4.340 -0.000 0.000 0.267 218 L C -1.027 175.707 176.870 -0.227 0.000 0.995 218 L CA -0.409 54.385 54.840 -0.077 0.000 0.864 218 L CB 1.399 43.483 42.059 0.043 0.000 1.216 218 L HN 0.743 nan 8.230 nan 0.000 0.430 219 E N 3.359 123.474 120.200 -0.141 0.000 2.249 219 E HA 0.244 4.594 4.350 -0.000 0.000 0.280 219 E C -0.427 176.155 176.600 -0.030 0.000 1.016 219 E CA -0.242 56.082 56.400 -0.128 0.000 0.830 219 E CB 0.649 30.374 29.700 0.041 0.000 1.081 219 E HN 0.661 nan 8.360 nan 0.000 0.395 220 E N 2.777 122.951 120.200 -0.043 0.000 2.199 220 E HA -0.194 4.156 4.350 -0.000 0.000 0.208 220 E C -1.868 174.755 176.600 0.037 0.000 1.310 220 E CA 0.072 56.471 56.400 -0.001 0.000 0.709 220 E CB -0.525 29.175 29.700 0.001 0.000 1.127 220 E HN 0.535 nan 8.360 nan 0.000 0.354 221 P HA -0.138 nan 4.420 nan 0.000 0.218 221 P C 0.774 178.198 177.300 0.207 0.000 1.149 221 P CA 1.639 64.873 63.100 0.223 0.000 0.817 221 P CB 0.055 31.902 31.700 0.245 0.000 0.785 222 V N -4.312 115.678 119.914 0.126 0.000 3.158 222 V HA 0.599 4.719 4.120 -0.000 0.000 0.315 222 V C 0.254 176.387 176.094 0.066 0.000 1.148 222 V CA -1.403 60.961 62.300 0.106 0.000 1.042 222 V CB 1.074 32.956 31.823 0.098 0.000 1.101 222 V HN -0.011 nan 8.190 nan 0.000 0.448 223 S N 1.103 116.838 115.700 0.058 0.000 2.575 223 S HA 0.221 4.691 4.470 -0.000 0.000 0.295 223 S C 1.504 176.137 174.600 0.054 0.000 1.267 223 S CA 0.390 58.621 58.200 0.051 0.000 1.074 223 S CB -0.023 63.199 63.200 0.038 0.000 0.829 223 S HN 1.926 nan 8.310 nan 0.000 0.497 224 S N 2.983 118.729 115.700 0.076 0.000 2.555 224 S HA 0.010 4.480 4.470 -0.000 0.000 0.230 224 S C 1.557 176.190 174.600 0.055 0.000 0.978 224 S CA 1.113 59.353 58.200 0.067 0.000 0.934 224 S CB -0.432 62.827 63.200 0.098 0.000 0.766 224 S HN 0.914 nan 8.310 nan 0.000 0.533 225 E N 1.312 121.546 120.200 0.056 0.000 2.347 225 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 225 E C 0.083 176.696 176.600 0.022 0.000 1.008 225 E CA 0.389 56.810 56.400 0.036 0.000 0.852 225 E CB 0.003 29.726 29.700 0.037 0.000 0.783 225 E HN 0.435 nan 8.360 nan 0.000 0.505 226 D N -0.078 120.337 120.400 0.025 0.000 2.522 226 D HA 0.089 4.729 4.640 -0.000 0.000 0.218 226 D C 0.440 176.747 176.300 0.012 0.000 1.149 226 D CA -0.095 53.917 54.000 0.021 0.000 0.981 226 D CB 0.091 40.910 40.800 0.031 0.000 1.041 226 D HN 0.106 nan 8.370 nan 0.000 0.518 227 R N 1.538 122.037 120.500 -0.000 0.000 2.115 227 R HA -0.124 4.216 4.340 -0.000 0.000 0.230 227 R C 1.574 177.869 176.300 -0.009 0.000 1.111 227 R CA 0.920 57.011 56.100 -0.014 0.000 0.976 227 R CB 0.019 30.302 30.300 -0.028 0.000 0.870 227 R HN 0.310 nan 8.270 nan 0.000 0.445 228 E N 0.930 121.129 120.200 -0.001 0.000 2.077 228 E HA -0.130 4.219 4.350 -0.000 0.000 0.193 228 E C 1.969 178.573 176.600 0.006 0.000 0.989 228 E CA 1.780 58.180 56.400 0.001 0.000 0.800 228 E CB -0.458 29.246 29.700 0.006 0.000 0.746 228 E HN 0.321 nan 8.360 nan 0.000 0.452 229 G N 0.431 109.239 108.800 0.014 0.000 2.403 229 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 229 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 229 G C 1.607 176.519 174.900 0.020 0.000 1.154 229 G CA 0.707 45.821 45.100 0.023 0.000 0.784 229 G HN 0.285 nan 8.290 nan 0.000 0.538 230 L N -0.336 120.893 121.223 0.010 0.000 2.017 230 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 230 L C 2.949 179.812 176.870 -0.012 0.000 1.073 230 L CA 1.352 56.191 54.840 -0.002 0.000 0.745 230 L CB -0.365 41.684 42.059 -0.017 0.000 0.894 230 L HN 0.173 nan 8.230 nan 0.000 0.432 231 R N 0.072 120.564 120.500 -0.014 0.000 2.091 231 R HA -0.223 4.117 4.340 -0.000 0.000 0.238 231 R C 2.308 178.603 176.300 -0.010 0.000 1.136 231 R CA 1.484 57.574 56.100 -0.017 0.000 0.959 231 R CB -0.293 29.997 30.300 -0.017 0.000 0.856 231 R HN 0.174 nan 8.270 nan 0.000 0.437 232 L N 0.849 122.071 121.223 -0.002 0.000 2.042 232 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 232 L C 1.810 178.680 176.870 -0.001 0.000 1.076 232 L CA 1.740 56.580 54.840 0.000 0.000 0.749 232 L CB -0.273 41.790 42.059 0.007 0.000 0.893 232 L HN 0.234 nan 8.230 nan 0.000 0.432 233 L N -1.015 120.210 121.223 0.003 0.000 2.240 233 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 233 L C 2.709 179.573 176.870 -0.010 0.000 1.106 233 L CA 0.509 55.350 54.840 0.003 0.000 0.793 233 L CB -0.688 41.382 42.059 0.019 0.000 0.927 233 L HN 0.277 nan 8.230 nan 0.000 0.446 234 R N 0.825 121.315 120.500 -0.016 0.000 2.066 234 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 234 R C 1.524 177.813 176.300 -0.018 0.000 1.131 234 R CA 1.800 57.885 56.100 -0.024 0.000 0.955 234 R CB -0.294 29.989 30.300 -0.029 0.000 0.851 234 R HN 0.301 nan 8.270 nan 0.000 0.432 235 D N -0.138 120.253 120.400 -0.014 0.000 2.183 235 D HA -0.073 4.567 4.640 -0.000 0.000 0.203 235 D C 1.699 177.990 176.300 -0.013 0.000 0.969 235 D CA 0.842 54.835 54.000 -0.012 0.000 0.842 235 D CB 0.095 40.889 40.800 -0.010 0.000 0.957 235 D HN 0.098 nan 8.370 nan 0.000 0.484 236 R N 0.134 120.625 120.500 -0.014 0.000 2.373 236 R HA 0.229 4.569 4.340 -0.000 0.000 0.221 236 R C 1.061 177.348 176.300 -0.022 0.000 0.893 236 R CA -0.043 56.047 56.100 -0.018 0.000 1.049 236 R CB 0.243 30.533 30.300 -0.017 0.000 1.119 236 R HN 0.017 nan 8.270 nan 0.000 0.535 237 G N 2.980 111.768 108.800 -0.019 0.000 2.690 237 G HA2 0.174 4.134 3.960 -0.000 0.000 0.239 237 G HA3 0.174 4.134 3.960 -0.000 0.000 0.239 237 G C -2.223 172.663 174.900 -0.024 0.000 1.233 237 G CA -0.539 44.548 45.100 -0.021 0.000 0.847 237 G HN -0.028 nan 8.290 nan 0.000 0.588 238 P HA 0.250 nan 4.420 nan 0.000 0.271 238 P C 0.619 177.911 177.300 -0.013 0.000 1.218 238 P CA -0.079 63.007 63.100 -0.024 0.000 0.780 238 P CB 0.608 32.292 31.700 -0.026 0.000 0.901 239 G N 0.680 109.472 108.800 -0.012 0.000 2.432 239 G HA2 0.344 4.304 3.960 -0.000 0.000 0.239 239 G HA3 0.344 4.304 3.960 -0.000 0.000 0.239 239 G C 0.988 175.888 174.900 0.000 0.000 1.291 239 G CA 0.136 45.232 45.100 -0.007 0.000 0.863 239 G HN 0.892 nan 8.290 nan 0.000 0.560 240 G N -0.492 108.311 108.800 0.004 0.000 2.179 240 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.260 240 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.260 240 G C 0.218 175.132 174.900 0.023 0.000 0.977 240 G CA 0.422 45.530 45.100 0.013 0.000 0.641 240 G HN 1.428 nan 8.290 nan 0.000 0.533 241 V N 1.401 121.325 119.914 0.017 0.000 2.293 241 V HA 0.740 4.860 4.120 -0.000 0.000 0.275 241 V C 0.753 176.842 176.094 -0.008 0.000 1.021 241 V CA -0.459 61.855 62.300 0.024 0.000 0.815 241 V CB 1.015 32.858 31.823 0.032 0.000 1.025 241 V HN 1.021 nan 8.190 nan 0.000 0.448 242 A N 6.635 129.446 122.820 -0.016 0.000 2.401 242 A HA 0.651 4.971 4.320 -0.000 0.000 0.259 242 A C -0.157 177.309 177.584 -0.197 0.000 1.103 242 A CA -0.270 51.722 52.037 -0.076 0.000 0.789 242 A CB 0.140 19.120 19.000 -0.033 0.000 1.035 242 A HN 0.615 nan 8.150 nan 0.000 0.491 243 I N 1.986 122.455 120.570 -0.168 0.000 2.304 243 I HA 0.471 4.641 4.170 -0.000 0.000 0.291 243 I C 0.603 176.575 176.117 -0.243 0.000 1.018 243 I CA 0.015 61.201 61.300 -0.189 0.000 1.260 243 I CB 0.455 38.398 38.000 -0.095 0.000 1.390 243 I HN 0.682 nan 8.210 nan 0.000 0.475 244 A N 5.454 128.060 122.820 -0.357 0.000 2.365 244 A HA 0.988 5.308 4.320 -0.000 0.000 0.318 244 A C -0.501 176.968 177.584 -0.192 0.000 1.091 244 A CA -0.372 51.473 52.037 -0.320 0.000 0.763 244 A CB 1.830 20.486 19.000 -0.574 0.000 1.248 244 A HN 0.877 nan 8.150 nan 0.000 0.442 245 A N -0.109 122.635 122.820 -0.128 0.000 2.599 245 A HA 0.851 5.171 4.320 -0.000 0.000 0.290 245 A C 0.195 177.715 177.584 -0.106 0.000 1.101 245 A CA 0.040 52.012 52.037 -0.108 0.000 0.674 245 A CB 0.663 19.617 19.000 -0.076 0.000 1.277 245 A HN 2.574 nan 8.150 nan 0.000 0.419 246 G N -0.397 108.316 108.800 -0.146 0.000 2.870 246 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.216 246 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.216 246 G C 0.515 175.280 174.900 -0.224 0.000 0.973 246 G CA 0.897 45.919 45.100 -0.129 0.000 0.807 246 G HN 1.269 nan 8.290 nan 0.000 0.573 247 E N -0.234 119.679 120.200 -0.479 0.000 2.233 247 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 247 E C 1.300 177.575 176.600 -0.542 0.000 1.004 247 E CA 1.441 57.419 56.400 -0.703 0.000 0.819 247 E CB -0.349 28.551 29.700 -1.334 0.000 0.738 247 E HN 0.581 nan 8.360 nan 0.000 0.478 248 Y N 0.774 121.052 120.300 -0.036 0.000 2.555 248 Y HA 0.336 4.886 4.550 -0.000 0.000 0.259 248 Y C 0.053 176.025 175.900 0.120 0.000 1.179 248 Y CA -0.498 57.634 58.100 0.053 0.000 1.230 248 Y CB 0.269 38.764 38.460 0.059 0.000 1.146 248 Y HN -0.089 nan 8.280 nan 0.000 0.526 249 E N -0.066 120.218 120.200 0.141 0.000 2.354 249 E HA 0.068 4.418 4.350 -0.000 0.000 0.269 249 E C 0.262 176.973 176.600 0.184 0.000 1.036 249 E CA -0.179 56.265 56.400 0.073 0.000 0.876 249 E CB 0.350 30.029 29.700 -0.036 0.000 1.009 249 E HN 0.475 nan 8.360 nan 0.000 0.416 250 W N 1.296 122.636 121.300 0.068 0.000 3.033 250 W HA 0.162 4.822 4.660 -0.000 0.000 0.250 250 W C 0.420 176.981 176.519 0.070 0.000 1.105 250 W CA 0.394 57.776 57.345 0.062 0.000 1.655 250 W CB -0.576 28.905 29.460 0.036 0.000 1.001 250 W HN 0.382 nan 8.180 nan 0.000 0.653 251 T N 0.086 114.462 114.554 -0.296 0.000 2.909 251 T HA 0.246 4.596 4.350 -0.000 0.000 0.289 251 T C 0.641 175.298 174.700 -0.071 0.000 1.005 251 T CA -0.453 61.567 62.100 -0.133 0.000 1.084 251 T CB 1.954 70.683 68.868 -0.231 0.000 0.975 251 T HN 0.091 nan 8.240 nan 0.000 0.509 252 L N 2.739 123.977 121.223 0.026 0.000 2.141 252 L HA 0.166 4.506 4.340 -0.000 0.000 0.209 252 L C -0.678 176.211 176.870 0.031 0.000 1.094 252 L CA 1.230 56.093 54.840 0.038 0.000 0.763 252 L CB -1.272 40.828 42.059 0.069 0.000 0.908 252 L HN 0.603 nan 8.230 nan 0.000 0.437 253 P HA -0.142 nan 4.420 nan 0.000 0.226 253 P C 1.460 178.772 177.300 0.020 0.000 1.153 253 P CA 1.007 64.132 63.100 0.041 0.000 0.777 253 P CB 0.062 31.758 31.700 -0.007 0.000 0.794 254 Q N -0.568 119.169 119.800 -0.104 0.000 2.046 254 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 254 Q C 2.157 178.096 176.000 -0.101 0.000 0.975 254 Q CA 1.157 56.859 55.803 -0.168 0.000 0.836 254 Q CB -0.662 27.874 28.738 -0.338 0.000 0.896 254 Q HN 0.255 nan 8.270 nan 0.000 0.428 255 L N -0.298 120.887 121.223 -0.064 0.000 2.046 255 L HA -0.245 4.094 4.340 -0.000 0.000 0.208 255 L C 2.513 179.348 176.870 -0.059 0.000 1.077 255 L CA 1.524 56.337 54.840 -0.044 0.000 0.747 255 L CB -0.480 41.576 42.059 -0.006 0.000 0.896 255 L HN 0.385 nan 8.230 nan 0.000 0.432 256 H N 0.019 119.045 119.070 -0.073 0.000 2.352 256 H HA -0.208 4.348 4.556 -0.000 0.000 0.299 256 H C 1.869 177.143 175.328 -0.090 0.000 1.097 256 H CA 2.115 58.133 56.048 -0.049 0.000 1.311 256 H CB 0.012 29.789 29.762 0.025 0.000 1.377 256 H HN 0.268 nan 8.280 nan 0.000 0.504 257 D N 0.053 120.336 120.400 -0.195 0.000 2.097 257 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 257 D C 2.264 178.429 176.300 -0.225 0.000 0.984 257 D CA 0.994 54.861 54.000 -0.222 0.000 0.826 257 D CB -0.337 40.407 40.800 -0.093 0.000 0.973 257 D HN 0.330 nan 8.370 nan 0.000 0.460 258 L N 1.200 122.314 121.223 -0.181 0.000 2.083 258 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 258 L C 2.203 178.947 176.870 -0.209 0.000 1.083 258 L CA 1.276 56.023 54.840 -0.155 0.000 0.752 258 L CB -0.631 41.362 42.059 -0.110 0.000 0.899 258 L HN -0.068 nan 8.230 nan 0.000 0.433 259 A N -0.741 121.882 122.820 -0.329 0.000 2.032 259 A HA -0.138 4.181 4.320 -0.000 0.000 0.221 259 A C 2.165 179.479 177.584 -0.449 0.000 1.165 259 A CA 1.520 53.267 52.037 -0.484 0.000 0.645 259 A CB -1.313 17.147 19.000 -0.899 0.000 0.807 259 A HN 0.510 nan 8.150 nan 0.000 0.453 260 G N -2.551 106.034 108.800 -0.357 0.000 2.920 260 G HA2 0.106 4.066 3.960 -0.000 0.000 0.208 260 G HA3 0.106 4.066 3.960 -0.000 0.000 0.208 260 G C 0.877 175.721 174.900 -0.093 0.000 1.159 260 G CA 1.054 46.066 45.100 -0.147 0.000 0.784 260 G HN 0.530 nan 8.290 nan 0.000 0.535 261 C N -0.318 118.916 119.300 -0.109 0.000 3.403 261 C HA 0.432 4.892 4.460 -0.000 0.000 0.317 261 C C 0.929 175.880 174.990 -0.066 0.000 1.346 261 C CA -0.115 58.859 59.018 -0.072 0.000 1.743 261 C CB -0.465 27.233 27.740 -0.069 0.000 2.308 261 C HN 0.269 nan 8.230 nan 0.000 0.675 262 V N -1.558 118.308 119.914 -0.080 0.000 3.113 262 V HA 0.621 4.741 4.120 -0.000 0.000 0.316 262 V C -0.033 176.021 176.094 -0.066 0.000 1.125 262 V CA -0.317 61.937 62.300 -0.077 0.000 1.026 262 V CB 1.188 32.957 31.823 -0.089 0.000 1.080 262 V HN -0.022 nan 8.190 nan 0.000 0.444 263 D N 0.324 120.681 120.400 -0.071 0.000 2.183 263 D HA 0.272 4.911 4.640 -0.000 0.000 0.205 263 D C 0.379 176.649 176.300 -0.051 0.000 0.962 263 D CA 1.564 55.531 54.000 -0.055 0.000 0.849 263 D CB 0.569 41.333 40.800 -0.060 0.000 0.978 263 D HN 0.520 nan 8.370 nan 0.000 0.488 264 I N 1.162 121.688 120.570 -0.073 0.000 2.499 264 I HA 0.188 4.358 4.170 -0.000 0.000 0.288 264 I C -0.980 175.107 176.117 -0.051 0.000 1.048 264 I CA -0.949 60.321 61.300 -0.050 0.000 1.062 264 I CB 2.911 40.893 38.000 -0.030 0.000 1.238 264 I HN -0.210 nan 8.210 nan 0.000 0.426 265 L N 6.696 127.915 121.223 -0.006 0.000 2.312 265 L HA 0.460 4.800 4.340 -0.000 0.000 0.281 265 L C -0.650 176.230 176.870 0.017 0.000 1.070 265 L CA 0.348 55.203 54.840 0.026 0.000 0.805 265 L CB 1.118 43.233 42.059 0.093 0.000 1.174 265 L HN 0.561 nan 8.230 nan 0.000 0.434 266 Q N 3.573 123.368 119.800 -0.008 0.000 2.387 266 Q HA 0.882 5.222 4.340 -0.000 0.000 0.273 266 Q C -1.320 174.742 176.000 0.104 0.000 1.089 266 Q CA -0.978 54.779 55.803 -0.077 0.000 0.824 266 Q CB 2.234 30.913 28.738 -0.098 0.000 1.367 266 Q HN 0.817 nan 8.270 nan 0.000 0.443 267 A N 1.179 124.132 122.820 0.222 0.000 2.587 267 A HA 0.510 4.830 4.320 -0.000 0.000 0.293 267 A C -1.792 175.932 177.584 0.233 0.000 1.087 267 A CA -0.638 51.550 52.037 0.253 0.000 0.692 267 A CB 1.825 21.042 19.000 0.361 0.000 1.291 267 A HN 0.660 nan 8.150 nan 0.000 0.407 268 D N 1.649 122.159 120.400 0.184 0.000 2.392 268 D HA 0.232 4.872 4.640 -0.000 0.000 0.228 268 D C 1.022 177.422 176.300 0.168 0.000 1.074 268 D CA -0.170 53.956 54.000 0.210 0.000 0.838 268 D CB 1.841 42.787 40.800 0.243 0.000 1.067 268 D HN 0.243 nan 8.370 nan 0.000 0.511 269 V N 4.021 124.024 119.914 0.149 0.000 2.527 269 V HA -0.254 3.866 4.120 -0.000 0.000 0.255 269 V C 1.998 178.124 176.094 0.054 0.000 1.081 269 V CA 3.051 65.402 62.300 0.085 0.000 1.092 269 V CB -0.473 31.375 31.823 0.043 0.000 0.673 269 V HN 0.805 nan 8.190 nan 0.000 0.470 270 T N -3.735 110.856 114.554 0.062 0.000 3.129 270 T HA 0.109 4.459 4.350 -0.000 0.000 0.251 270 T C 1.591 176.338 174.700 0.078 0.000 1.117 270 T CA 0.493 62.610 62.100 0.028 0.000 1.034 270 T CB -0.069 68.801 68.868 0.004 0.000 0.968 270 T HN 0.571 nan 8.240 nan 0.000 0.526 271 R N -0.172 120.397 120.500 0.114 0.000 2.383 271 R HA 0.246 4.586 4.340 -0.000 0.000 0.205 271 R C 1.919 178.310 176.300 0.152 0.000 0.875 271 R CA 0.662 56.838 56.100 0.126 0.000 1.039 271 R CB 0.023 30.410 30.300 0.144 0.000 1.267 271 R HN 0.566 nan 8.270 nan 0.000 0.635 272 C N -0.261 119.135 119.300 0.160 0.000 2.524 272 C HA 0.530 4.990 4.460 -0.000 0.000 0.301 272 C C 1.262 176.400 174.990 0.247 0.000 1.296 272 C CA -0.041 59.089 59.018 0.186 0.000 1.683 272 C CB -0.670 27.160 27.740 0.151 0.000 1.764 272 C HN 0.656 nan 8.230 nan 0.000 0.597 273 G N -0.398 108.568 108.800 0.277 0.000 2.138 273 G HA2 0.374 4.334 3.960 -0.000 0.000 0.193 273 G HA3 0.374 4.334 3.960 -0.000 0.000 0.193 273 G C 0.879 176.053 174.900 0.456 0.000 0.998 273 G CA 0.267 45.669 45.100 0.505 0.000 0.668 273 G HN 2.324 nan 8.290 nan 0.000 0.516 274 G N -0.459 108.474 108.800 0.221 0.000 2.539 274 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.256 274 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.256 274 G C 1.070 175.968 174.900 -0.003 0.000 1.233 274 G CA 0.469 45.641 45.100 0.119 0.000 0.936 274 G HN 1.066 nan 8.290 nan 0.000 0.571 275 I N 0.850 121.372 120.570 -0.081 0.000 2.353 275 I HA -0.074 4.096 4.170 -0.000 0.000 0.248 275 I C 3.072 178.937 176.117 -0.421 0.000 1.119 275 I CA 2.069 63.167 61.300 -0.337 0.000 1.417 275 I CB -0.490 37.134 38.000 -0.626 0.000 1.078 275 I HN 0.624 nan 8.210 nan 0.000 0.421 276 T N 0.338 114.703 114.554 -0.315 0.000 2.708 276 T HA -0.131 4.218 4.350 -0.000 0.000 0.266 276 T C 1.929 176.263 174.700 -0.609 0.000 1.037 276 T CA 1.539 63.342 62.100 -0.495 0.000 1.146 276 T CB -0.740 67.660 68.868 -0.779 0.000 0.865 276 T HN 0.558 nan 8.240 nan 0.000 0.435 277 G N 1.173 109.730 108.800 -0.405 0.000 2.418 277 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 277 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 277 G C 1.497 176.321 174.900 -0.127 0.000 1.158 277 G CA 0.488 45.516 45.100 -0.120 0.000 0.771 277 G HN 0.382 nan 8.290 nan 0.000 0.545 278 L N 0.446 121.582 121.223 -0.143 0.000 2.131 278 L HA 0.144 4.484 4.340 -0.000 0.000 0.210 278 L C 2.560 179.285 176.870 -0.242 0.000 1.092 278 L CA 1.010 55.742 54.840 -0.180 0.000 0.759 278 L CB -0.248 41.721 42.059 -0.150 0.000 0.903 278 L HN 0.171 nan 8.230 nan 0.000 0.435 279 L N -1.238 119.829 121.223 -0.259 0.000 2.549 279 L HA -0.169 4.171 4.340 -0.000 0.000 0.230 279 L C 2.044 178.803 176.870 -0.184 0.000 1.162 279 L CA 0.566 55.266 54.840 -0.233 0.000 0.834 279 L CB -0.328 41.576 42.059 -0.259 0.000 0.947 279 L HN 0.197 nan 8.230 nan 0.000 0.452 280 R N -1.909 118.483 120.500 -0.180 0.000 2.308 280 R HA 0.053 4.393 4.340 -0.000 0.000 0.202 280 R C 1.957 178.178 176.300 -0.131 0.000 0.898 280 R CA 0.078 56.102 56.100 -0.127 0.000 1.046 280 R CB 0.058 30.303 30.300 -0.091 0.000 1.026 280 R HN -0.008 nan 8.270 nan 0.000 0.512 281 V N 1.016 120.803 119.914 -0.211 0.000 2.407 281 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 281 V C 1.378 177.321 176.094 -0.251 0.000 1.055 281 V CA 1.959 64.093 62.300 -0.276 0.000 1.049 281 V CB -0.223 31.277 31.823 -0.539 0.000 0.662 281 V HN 0.283 nan 8.190 nan 0.000 0.455 282 D N 0.205 120.456 120.400 -0.250 0.000 2.123 282 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 282 D C 2.144 178.384 176.300 -0.101 0.000 0.992 282 D CA 1.562 55.449 54.000 -0.187 0.000 0.833 282 D CB -0.469 40.219 40.800 -0.186 0.000 0.954 282 D HN 0.487 nan 8.370 nan 0.000 0.455 283 G N 0.731 109.488 108.800 -0.073 0.000 2.422 283 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 283 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 283 G C 1.628 176.540 174.900 0.021 0.000 1.146 283 G CA 0.319 45.404 45.100 -0.025 0.000 0.769 283 G HN 0.216 nan 8.290 nan 0.000 0.547 284 I N 0.758 121.344 120.570 0.027 0.000 2.202 284 I HA -0.085 4.085 4.170 -0.000 0.000 0.242 284 I C 2.856 179.064 176.117 0.152 0.000 1.091 284 I CA 0.679 62.049 61.300 0.115 0.000 1.368 284 I CB -1.316 36.718 38.000 0.056 0.000 1.058 284 I HN 0.177 nan 8.210 nan 0.000 0.410 285 C N 0.744 120.073 119.300 0.048 0.000 2.466 285 C HA -0.029 4.431 4.460 -0.000 0.000 0.278 285 C C 2.877 177.908 174.990 0.067 0.000 1.288 285 C CA 0.209 59.263 59.018 0.060 0.000 1.722 285 C CB -0.764 26.998 27.740 0.037 0.000 2.017 285 C HN 0.426 nan 8.230 nan 0.000 0.488 286 R N 0.988 121.498 120.500 0.017 0.000 2.115 286 R HA -0.038 4.302 4.340 -0.000 0.000 0.230 286 R C 2.363 178.672 176.300 0.014 0.000 1.111 286 R CA 1.487 57.587 56.100 -0.001 0.000 0.976 286 R CB -1.459 28.818 30.300 -0.038 0.000 0.870 286 R HN 0.614 nan 8.270 nan 0.000 0.445 287 G N -0.311 108.509 108.800 0.033 0.000 2.448 287 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 287 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 287 G C 0.693 175.524 174.900 -0.114 0.000 1.127 287 G CA 0.681 45.768 45.100 -0.022 0.000 0.766 287 G HN 0.417 nan 8.290 nan 0.000 0.552 288 H N -0.637 118.432 119.070 -0.002 0.000 2.594 288 H HA 0.257 4.812 4.556 -0.000 0.000 0.279 288 H C 0.699 176.020 175.328 -0.012 0.000 1.042 288 H CA -0.216 55.827 56.048 -0.009 0.000 1.177 288 H CB 0.458 30.207 29.762 -0.021 0.000 1.524 288 H HN 0.089 nan 8.280 nan 0.000 0.537 289 Q N -0.007 119.839 119.800 0.076 0.000 2.453 289 Q HA -0.179 4.161 4.340 -0.000 0.000 0.294 289 Q C -0.145 175.883 176.000 0.046 0.000 1.295 289 Q CA 1.002 56.830 55.803 0.041 0.000 0.853 289 Q CB -2.307 26.443 28.738 0.021 0.000 1.193 289 Q HN 0.720 nan 8.270 nan 0.000 0.461 290 I N -3.965 116.640 120.570 0.059 0.000 2.797 290 I HA 0.758 4.928 4.170 -0.000 0.000 0.307 290 I C -2.426 173.713 176.117 0.036 0.000 1.033 290 I CA -2.974 58.347 61.300 0.035 0.000 1.071 290 I CB 2.120 40.133 38.000 0.023 0.000 1.255 290 I HN -0.292 nan 8.210 nan 0.000 0.445 291 P HA 0.268 nan 4.420 nan 0.000 0.276 291 P C -1.351 176.003 177.300 0.091 0.000 1.252 291 P CA -0.014 63.100 63.100 0.023 0.000 0.802 291 P CB 0.450 32.126 31.700 -0.040 0.000 1.035 292 F N 0.743 120.651 119.950 -0.069 0.000 2.508 292 F HA 0.616 5.143 4.527 -0.000 0.000 0.325 292 F C -0.450 175.320 175.800 -0.050 0.000 1.090 292 F CA -0.398 57.575 58.000 -0.046 0.000 0.945 292 F CB 1.595 40.573 39.000 -0.035 0.000 1.156 292 F HN 0.129 nan 8.300 nan 0.000 0.463 293 S N 4.313 119.385 115.700 -1.048 0.000 2.594 293 S HA 0.793 5.262 4.470 -0.000 0.000 0.296 293 S C -0.868 173.108 174.600 -1.040 0.000 1.124 293 S CA -0.514 57.248 58.200 -0.729 0.000 1.011 293 S CB 0.800 63.919 63.200 -0.135 0.000 1.016 293 S HN 1.043 nan 8.310 nan 0.000 0.485 294 A N 3.404 125.827 122.820 -0.662 0.000 2.401 294 A HA 0.479 4.799 4.320 -0.000 0.000 0.259 294 A C -0.352 177.219 177.584 -0.022 0.000 1.103 294 A CA -0.084 51.820 52.037 -0.222 0.000 0.789 294 A CB -0.093 18.950 19.000 0.071 0.000 1.035 294 A HN 0.975 nan 8.150 nan 0.000 0.491 295 H N 0.694 119.725 119.070 -0.065 0.000 2.511 295 H HA 0.504 5.060 4.556 -0.000 0.000 0.328 295 H C 0.002 175.311 175.328 -0.031 0.000 1.044 295 H CA 0.323 56.327 56.048 -0.073 0.000 1.212 295 H CB 0.449 30.150 29.762 -0.102 0.000 1.428 295 H HN 1.066 nan 8.280 nan 0.000 0.483 296 C N 2.658 121.694 119.300 -0.440 0.000 0.168 296 C HA 0.047 4.507 4.460 -0.000 0.000 0.017 296 C C 1.060 176.149 174.990 0.166 0.000 0.171 296 C CA 0.289 59.194 59.018 -0.187 0.000 0.499 296 C CB -1.578 26.023 27.740 -0.231 0.000 3.212 296 C HN 1.894 nan 8.230 nan 0.000 1.118 297 A N 0.010 123.117 122.820 0.479 0.000 2.362 297 A HA -0.101 4.219 4.320 -0.000 0.000 0.290 297 A C -0.702 177.053 177.584 0.286 0.000 1.441 297 A CA 1.197 53.508 52.037 0.456 0.000 0.743 297 A CB -1.062 18.172 19.000 0.390 0.000 1.125 297 A HN 0.905 nan 8.150 nan 0.000 0.378 298 P HA -0.104 nan 4.420 nan 0.000 0.218 298 P C 1.733 179.158 177.300 0.209 0.000 1.149 298 P CA 1.715 64.916 63.100 0.168 0.000 0.817 298 P CB -0.049 31.726 31.700 0.124 0.000 0.785 299 A N 0.013 122.991 122.820 0.262 0.000 1.892 299 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 299 A C 2.385 180.107 177.584 0.230 0.000 1.188 299 A CA 2.406 54.596 52.037 0.254 0.000 0.631 299 A CB -1.715 17.446 19.000 0.267 0.000 0.822 299 A HN 0.097 nan 8.150 nan 0.000 0.447 300 V N -0.465 119.559 119.914 0.184 0.000 2.488 300 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 300 V C 2.652 178.811 176.094 0.109 0.000 1.046 300 V CA 2.064 64.402 62.300 0.062 0.000 1.053 300 V CB -0.723 31.022 31.823 -0.131 0.000 0.679 300 V HN 0.527 nan 8.190 nan 0.000 0.458 301 S N 0.658 116.428 115.700 0.116 0.000 2.402 301 S HA -0.087 4.383 4.470 -0.000 0.000 0.229 301 S C 2.280 176.945 174.600 0.108 0.000 1.021 301 S CA 1.207 59.473 58.200 0.110 0.000 0.974 301 S CB -0.446 62.819 63.200 0.108 0.000 0.800 301 S HN 0.628 nan 8.310 nan 0.000 0.484 302 A N 1.916 124.803 122.820 0.111 0.000 1.917 302 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 302 A C 1.892 179.440 177.584 -0.060 0.000 1.182 302 A CA 1.593 53.647 52.037 0.029 0.000 0.633 302 A CB -0.814 18.198 19.000 0.020 0.000 0.819 302 A HN 0.591 nan 8.150 nan 0.000 0.448 303 H N -1.108 117.982 119.070 0.032 0.000 2.317 303 H HA 0.072 4.628 4.556 -0.000 0.000 0.304 303 H C 2.669 177.995 175.328 -0.003 0.000 1.067 303 H CA 1.244 57.300 56.048 0.012 0.000 1.352 303 H CB -0.408 29.351 29.762 -0.005 0.000 1.398 303 H HN 0.536 nan 8.280 nan 0.000 0.510 304 A N 0.729 123.612 122.820 0.106 0.000 1.933 304 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 304 A C 2.604 180.210 177.584 0.038 0.000 1.175 304 A CA 1.465 53.508 52.037 0.010 0.000 0.628 304 A CB -1.043 17.945 19.000 -0.019 0.000 0.814 304 A HN 0.484 nan 8.150 nan 0.000 0.444 305 C N -1.515 117.844 119.300 0.098 0.000 2.472 305 C HA -0.046 4.414 4.460 -0.000 0.000 0.278 305 C C 2.618 177.737 174.990 0.216 0.000 1.447 305 C CA 0.249 59.362 59.018 0.158 0.000 1.773 305 C CB -2.051 25.794 27.740 0.176 0.000 1.793 305 C HN 0.735 nan 8.230 nan 0.000 0.544 306 C N 0.684 120.078 119.300 0.157 0.000 2.432 306 C HA 0.002 4.462 4.460 -0.000 0.000 0.282 306 C C 2.687 177.761 174.990 0.139 0.000 1.388 306 C CA 1.224 60.357 59.018 0.191 0.000 1.777 306 C CB -1.412 26.375 27.740 0.078 0.000 1.882 306 C HN 0.725 nan 8.230 nan 0.000 0.520 307 A N -0.531 122.346 122.820 0.094 0.000 2.275 307 A HA 0.347 4.667 4.320 -0.000 0.000 0.212 307 A C 0.571 178.242 177.584 0.146 0.000 1.201 307 A CA 0.512 52.607 52.037 0.096 0.000 0.843 307 A CB 0.035 19.009 19.000 -0.044 0.000 0.873 307 A HN 0.318 nan 8.150 nan 0.000 0.492 308 V N 0.705 120.670 119.914 0.086 0.000 2.293 308 V HA 0.147 4.267 4.120 -0.000 0.000 0.275 308 V C 1.075 177.112 176.094 -0.094 0.000 1.021 308 V CA -0.369 61.902 62.300 -0.049 0.000 0.815 308 V CB 0.987 32.791 31.823 -0.032 0.000 1.025 308 V HN 0.681 nan 8.190 nan 0.000 0.448 309 E N 3.065 122.905 120.200 -0.599 0.000 2.110 309 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 309 E C 1.881 178.365 176.600 -0.192 0.000 0.988 309 E CA 1.651 57.569 56.400 -0.804 0.000 0.804 309 E CB 0.242 29.092 29.700 -1.417 0.000 0.745 309 E HN 0.818 nan 8.360 nan 0.000 0.458 310 S N 0.447 116.062 115.700 -0.141 0.000 2.660 310 S HA -0.019 4.451 4.470 -0.000 0.000 0.223 310 S C 0.706 175.360 174.600 0.089 0.000 0.963 310 S CA -0.361 57.827 58.200 -0.019 0.000 0.932 310 S CB -0.262 62.929 63.200 -0.016 0.000 0.775 310 S HN 0.196 nan 8.310 nan 0.000 0.531 311 L N 1.843 123.154 121.223 0.147 0.000 2.559 311 L HA 0.220 4.560 4.340 -0.000 0.000 0.274 311 L C 0.885 177.731 176.870 -0.040 0.000 1.205 311 L CA 0.032 54.961 54.840 0.148 0.000 0.907 311 L CB 0.645 42.781 42.059 0.129 0.000 1.153 311 L HN 0.262 nan 8.230 nan 0.000 0.490 312 L N 4.478 125.619 121.223 -0.136 0.000 2.269 312 L HA 0.316 4.656 4.340 -0.000 0.000 0.200 312 L C -0.164 176.536 176.870 -0.283 0.000 1.069 312 L CA 0.995 55.662 54.840 -0.288 0.000 0.804 312 L CB -0.213 41.563 42.059 -0.472 0.000 0.987 312 L HN 0.989 nan 8.230 nan 0.000 0.468 313 H N -2.646 116.400 119.070 -0.040 0.000 2.987 313 H HA 0.545 5.101 4.556 -0.000 0.000 0.316 313 H C -1.155 174.157 175.328 -0.026 0.000 1.380 313 H CA -1.352 54.684 56.048 -0.019 0.000 1.160 313 H CB 0.001 29.793 29.762 0.050 0.000 1.865 313 H HN 0.051 nan 8.280 nan 0.000 0.521 314 L N -1.769 119.543 121.223 0.149 0.000 2.330 314 L HA 0.660 5.000 4.340 -0.000 0.000 0.271 314 L C 0.094 176.788 176.870 -0.293 0.000 1.013 314 L CA -0.855 53.984 54.840 -0.000 0.000 0.816 314 L CB 1.841 43.904 42.059 0.006 0.000 1.287 314 L HN 0.864 nan 8.230 nan 0.000 0.435 315 E N 1.321 121.264 120.200 -0.428 0.000 2.152 315 E HA 0.094 4.444 4.350 -0.000 0.000 0.285 315 E C -1.484 174.832 176.600 -0.474 0.000 1.043 315 E CA -0.502 55.351 56.400 -0.910 0.000 0.839 315 E CB 0.531 29.876 29.700 -0.591 0.000 1.069 315 E HN 0.714 nan 8.360 nan 0.000 0.399 316 Y N 6.928 126.823 120.300 -0.674 0.000 2.724 316 Y HA 0.169 4.718 4.550 -0.000 0.000 0.332 316 Y C -1.155 174.575 175.900 -0.283 0.000 1.276 316 Y CA -0.930 56.938 58.100 -0.386 0.000 1.597 316 Y CB -0.299 37.902 38.460 -0.432 0.000 1.584 316 Y HN 0.467 nan 8.280 nan 0.000 0.478 317 F N 4.168 123.836 119.950 -0.470 0.000 2.472 317 F HA 0.160 4.687 4.527 -0.000 0.000 0.364 317 F C 1.536 177.189 175.800 -0.244 0.000 1.090 317 F CA -0.385 57.400 58.000 -0.359 0.000 1.188 317 F CB 0.415 39.146 39.000 -0.448 0.000 1.105 317 F HN 0.628 nan 8.300 nan 0.000 0.536 318 H N 3.617 122.370 119.070 -0.529 0.000 2.260 318 H HA -0.252 4.304 4.556 -0.000 0.000 0.288 318 H C 1.616 176.668 175.328 -0.460 0.000 1.094 318 H CA 2.878 58.756 56.048 -0.284 0.000 1.197 318 H CB -0.162 29.663 29.762 0.106 0.000 1.346 318 H HN 0.739 nan 8.280 nan 0.000 0.486 319 D N -0.888 118.909 120.400 -1.004 0.000 2.149 319 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 319 D C 2.238 178.311 176.300 -0.378 0.000 1.001 319 D CA 2.000 55.608 54.000 -0.654 0.000 0.849 319 D CB -0.475 40.048 40.800 -0.463 0.000 0.939 319 D HN 0.703 nan 8.370 nan 0.000 0.449 320 H N -0.523 118.260 119.070 -0.479 0.000 2.384 320 H HA 0.213 4.769 4.556 -0.000 0.000 0.300 320 H C 2.125 177.317 175.328 -0.228 0.000 1.057 320 H CA 0.485 56.348 56.048 -0.308 0.000 1.370 320 H CB 0.183 29.836 29.762 -0.183 0.000 1.417 320 H HN 0.087 nan 8.280 nan 0.000 0.527 321 A N 1.674 124.345 122.820 -0.249 0.000 1.892 321 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 321 A C 2.239 179.722 177.584 -0.169 0.000 1.188 321 A CA 1.970 53.804 52.037 -0.338 0.000 0.631 321 A CB -0.663 17.822 19.000 -0.859 0.000 0.822 321 A HN 0.336 nan 8.150 nan 0.000 0.447 322 R N -0.640 119.715 120.500 -0.243 0.000 2.080 322 R HA -0.113 4.227 4.340 -0.000 0.000 0.236 322 R C 1.992 178.197 176.300 -0.159 0.000 1.137 322 R CA 1.979 57.959 56.100 -0.200 0.000 0.943 322 R CB -0.541 29.555 30.300 -0.340 0.000 0.846 322 R HN 0.281 nan 8.270 nan 0.000 0.431 323 V N 1.249 121.063 119.914 -0.165 0.000 2.343 323 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 323 V C 2.008 178.007 176.094 -0.157 0.000 1.051 323 V CA 2.174 64.374 62.300 -0.166 0.000 1.036 323 V CB -0.448 31.321 31.823 -0.089 0.000 0.654 323 V HN 0.443 nan 8.190 nan 0.000 0.451 324 E N -0.113 120.060 120.200 -0.045 0.000 2.106 324 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 324 E C 2.569 179.212 176.600 0.072 0.000 0.984 324 E CA 1.518 57.959 56.400 0.069 0.000 0.806 324 E CB -0.326 29.497 29.700 0.206 0.000 0.750 324 E HN 0.641 nan 8.360 nan 0.000 0.458 325 R N 0.937 121.456 120.500 0.031 0.000 2.080 325 R HA -0.162 4.178 4.340 -0.000 0.000 0.236 325 R C 2.193 178.483 176.300 -0.017 0.000 1.137 325 R CA 1.742 57.866 56.100 0.039 0.000 0.943 325 R CB -1.623 28.703 30.300 0.043 0.000 0.846 325 R HN 0.052 nan 8.270 nan 0.000 0.431 326 L N 0.379 121.550 121.223 -0.087 0.000 1.997 326 L HA -0.138 4.202 4.340 -0.000 0.000 0.216 326 L C 2.555 179.320 176.870 -0.174 0.000 1.074 326 L CA 1.996 56.760 54.840 -0.127 0.000 0.763 326 L CB -0.233 41.689 42.059 -0.229 0.000 0.890 326 L HN 0.390 nan 8.230 nan 0.000 0.434 327 L N -2.959 118.061 121.223 -0.339 0.000 2.529 327 L HA 0.099 4.439 4.340 -0.000 0.000 0.223 327 L C -0.090 176.450 176.870 -0.550 0.000 1.113 327 L CA -0.147 54.355 54.840 -0.563 0.000 0.861 327 L CB 0.003 41.490 42.059 -0.952 0.000 1.012 327 L HN 0.016 nan 8.230 nan 0.000 0.461 328 F N -0.537 119.350 119.950 -0.105 0.000 2.540 328 F HA 0.315 4.842 4.527 -0.000 0.000 0.317 328 F C -0.010 175.773 175.800 -0.028 0.000 1.104 328 F CA -1.296 56.661 58.000 -0.071 0.000 0.913 328 F CB 1.854 40.811 39.000 -0.072 0.000 1.170 328 F HN -0.172 nan 8.300 nan 0.000 0.450 329 D N 1.532 122.062 120.400 0.217 0.000 2.304 329 D HA 0.402 5.042 4.640 -0.000 0.000 0.250 329 D C 0.800 177.162 176.300 0.104 0.000 1.107 329 D CA 0.794 54.869 54.000 0.125 0.000 0.885 329 D CB 1.658 42.511 40.800 0.087 0.000 1.192 329 D HN 0.887 nan 8.370 nan 0.000 0.436 330 G N 1.475 110.325 108.800 0.084 0.000 2.143 330 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.175 330 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.175 330 G C 0.453 175.399 174.900 0.076 0.000 1.004 330 G CA 0.129 45.266 45.100 0.062 0.000 0.671 330 G HN 0.667 nan 8.290 nan 0.000 0.512 331 T N -0.364 114.251 114.554 0.102 0.000 2.899 331 T HA 0.692 5.042 4.350 -0.000 0.000 0.295 331 T C 0.691 175.460 174.700 0.115 0.000 1.033 331 T CA -0.526 61.647 62.100 0.122 0.000 1.084 331 T CB 1.866 70.824 68.868 0.150 0.000 0.979 331 T HN 0.510 nan 8.240 nan 0.000 0.532 332 L N 1.389 122.688 121.223 0.127 0.000 2.379 332 L HA 0.527 4.867 4.340 -0.000 0.000 0.269 332 L C 0.234 177.160 176.870 0.093 0.000 1.084 332 L CA -1.038 53.858 54.840 0.094 0.000 0.802 332 L CB 0.985 43.088 42.059 0.073 0.000 1.175 332 L HN 0.745 nan 8.230 nan 0.000 0.448 333 D N 1.737 122.162 120.400 0.041 0.000 2.193 333 D HA 0.284 4.924 4.640 -0.000 0.000 0.244 333 D C -1.870 174.382 176.300 -0.078 0.000 1.064 333 D CA -1.774 52.230 54.000 0.008 0.000 0.845 333 D CB 1.619 42.430 40.800 0.017 0.000 1.148 333 D HN 0.205 nan 8.370 nan 0.000 0.464 334 P HA 0.068 nan 4.420 nan 0.000 0.257 334 P C -0.173 177.007 177.300 -0.201 0.000 1.281 334 P CA -0.118 62.794 63.100 -0.313 0.000 0.826 334 P CB 0.013 31.245 31.700 -0.779 0.000 1.237 335 E N 1.309 121.442 120.200 -0.112 0.000 2.529 335 E HA 0.207 4.557 4.350 -0.000 0.000 0.259 335 E C 1.309 177.875 176.600 -0.057 0.000 0.966 335 E CA 1.459 57.823 56.400 -0.059 0.000 0.937 335 E CB -0.637 29.048 29.700 -0.024 0.000 0.923 335 E HN 0.259 nan 8.360 nan 0.000 0.468 336 G N 2.748 111.521 108.800 -0.045 0.000 2.217 336 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.246 336 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.246 336 G C 0.930 175.800 174.900 -0.051 0.000 0.990 336 G CA 0.350 45.427 45.100 -0.038 0.000 0.627 336 G HN 1.813 nan 8.290 nan 0.000 0.522 337 G N -1.964 106.787 108.800 -0.082 0.000 2.192 337 G HA2 0.186 4.146 3.960 -0.000 0.000 0.193 337 G HA3 0.186 4.146 3.960 -0.000 0.000 0.193 337 G C 0.106 174.946 174.900 -0.100 0.000 0.999 337 G CA 0.701 45.746 45.100 -0.092 0.000 0.659 337 G HN 1.742 nan 8.290 nan 0.000 0.503 338 S N -0.605 115.037 115.700 -0.097 0.000 2.632 338 S HA 0.832 5.302 4.470 -0.000 0.000 0.289 338 S C -0.479 174.066 174.600 -0.092 0.000 1.115 338 S CA -0.691 57.460 58.200 -0.082 0.000 0.889 338 S CB 1.922 65.089 63.200 -0.055 0.000 1.116 338 S HN 0.456 nan 8.310 nan 0.000 0.486 339 L N 1.859 123.040 121.223 -0.071 0.000 2.322 339 L HA 0.629 4.969 4.340 -0.000 0.000 0.281 339 L C -0.012 176.826 176.870 -0.054 0.000 1.014 339 L CA -0.581 54.226 54.840 -0.055 0.000 0.815 339 L CB 1.506 43.550 42.059 -0.025 0.000 1.247 339 L HN 0.460 nan 8.230 nan 0.000 0.421 340 R N 4.128 124.597 120.500 -0.051 0.000 2.360 340 R HA 0.460 4.800 4.340 -0.000 0.000 0.318 340 R C -2.568 173.683 176.300 -0.082 0.000 0.950 340 R CA -1.602 54.463 56.100 -0.058 0.000 0.837 340 R CB 1.579 31.859 30.300 -0.033 0.000 1.165 340 R HN 0.255 nan 8.270 nan 0.000 0.458 341 P HA -0.079 nan 4.420 nan 0.000 0.265 341 P C -0.962 176.313 177.300 -0.043 0.000 1.187 341 P CA 0.114 63.077 63.100 -0.229 0.000 0.766 341 P CB 0.509 31.954 31.700 -0.424 0.000 0.820 342 D N 4.258 124.680 120.400 0.038 0.000 2.339 342 D HA 0.052 4.691 4.640 -0.000 0.000 0.256 342 D C -1.243 175.091 176.300 0.057 0.000 1.214 342 D CA -1.938 52.091 54.000 0.049 0.000 0.877 342 D CB 0.713 41.552 40.800 0.065 0.000 1.111 342 D HN 0.194 nan 8.370 nan 0.000 0.478 343 P HA -0.056 nan 4.420 nan 0.000 0.226 343 P C 0.347 177.669 177.300 0.036 0.000 1.153 343 P CA 0.638 63.759 63.100 0.035 0.000 0.777 343 P CB 0.528 32.241 31.700 0.021 0.000 0.794 344 D N -0.422 119.999 120.400 0.034 0.000 2.349 344 D HA 0.040 4.680 4.640 -0.000 0.000 0.215 344 D C 0.667 176.987 176.300 0.033 0.000 1.016 344 D CA 0.488 54.506 54.000 0.030 0.000 0.870 344 D CB 0.250 41.066 40.800 0.026 0.000 0.917 344 D HN 0.299 nan 8.370 nan 0.000 0.524 345 R N 1.143 121.669 120.500 0.043 0.000 2.494 345 R HA 0.406 4.745 4.340 -0.000 0.000 0.305 345 R C -2.525 173.799 176.300 0.040 0.000 0.959 345 R CA -1.577 54.546 56.100 0.039 0.000 0.864 345 R CB 2.190 32.515 30.300 0.042 0.000 1.159 345 R HN -0.066 nan 8.270 nan 0.000 0.446 346 P HA 0.219 nan 4.420 nan 0.000 0.280 346 P C 0.473 177.763 177.300 -0.016 0.000 1.272 346 P CA 0.035 63.144 63.100 0.015 0.000 0.819 346 P CB 0.835 32.542 31.700 0.012 0.000 1.122 347 G N 0.117 108.904 108.800 -0.023 0.000 2.614 347 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.303 347 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.303 347 G C 0.844 175.610 174.900 -0.222 0.000 1.270 347 G CA 0.498 45.551 45.100 -0.078 0.000 0.988 347 G HN 0.510 nan 8.290 nan 0.000 0.551 348 L N 1.931 122.968 121.223 -0.309 0.000 2.478 348 L HA 0.327 4.667 4.340 -0.000 0.000 0.223 348 L C 2.406 179.089 176.870 -0.311 0.000 1.140 348 L CA 1.138 55.640 54.840 -0.564 0.000 0.842 348 L CB -0.393 41.445 42.059 -0.369 0.000 0.953 348 L HN 1.932 nan 8.230 nan 0.000 0.452 349 G N 0.553 109.263 108.800 -0.150 0.000 2.143 349 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.248 349 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.248 349 G C -0.051 174.810 174.900 -0.064 0.000 0.991 349 G CA -0.080 44.993 45.100 -0.044 0.000 0.689 349 G HN 0.235 nan 8.290 nan 0.000 0.522 350 L N -0.169 120.965 121.223 -0.148 0.000 2.346 350 L HA 0.853 5.193 4.340 -0.000 0.000 0.276 350 L C 0.227 177.011 176.870 -0.143 0.000 1.006 350 L CA -0.186 54.518 54.840 -0.227 0.000 0.817 350 L CB 1.969 43.669 42.059 -0.597 0.000 1.272 350 L HN 0.343 nan 8.230 nan 0.000 0.421 351 E N 2.915 123.122 120.200 0.012 0.000 2.275 351 E HA 0.532 4.882 4.350 -0.000 0.000 0.270 351 E C -1.206 175.559 176.600 0.275 0.000 0.882 351 E CA -0.885 55.579 56.400 0.107 0.000 0.758 351 E CB 2.321 32.061 29.700 0.067 0.000 1.195 351 E HN 0.530 nan 8.360 nan 0.000 0.419 352 L N 1.676 123.071 121.223 0.286 0.000 2.455 352 L HA 0.270 4.610 4.340 -0.000 0.000 0.272 352 L C 0.220 177.130 176.870 0.067 0.000 1.174 352 L CA 0.166 55.122 54.840 0.194 0.000 0.869 352 L CB 0.423 42.547 42.059 0.108 0.000 1.130 352 L HN 0.582 nan 8.230 nan 0.000 0.474 353 K N 5.343 125.736 120.400 -0.012 0.000 2.292 353 K HA 0.237 4.557 4.320 -0.000 0.000 0.290 353 K C 1.334 177.909 176.600 -0.042 0.000 1.083 353 K CA 0.335 56.612 56.287 -0.016 0.000 0.918 353 K CB 0.605 33.090 32.500 -0.026 0.000 1.089 353 K HN 0.759 nan 8.250 nan 0.000 0.473 354 R N 1.928 122.426 120.500 -0.004 0.000 2.081 354 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 354 R C 2.223 178.527 176.300 0.006 0.000 1.131 354 R CA 2.142 58.246 56.100 0.008 0.000 0.960 354 R CB -1.065 29.253 30.300 0.031 0.000 0.856 354 R HN 0.511 nan 8.270 nan 0.000 0.436 355 S N 0.389 116.091 115.700 0.003 0.000 2.351 355 S HA -0.153 4.317 4.470 -0.000 0.000 0.220 355 S C 2.024 176.618 174.600 -0.009 0.000 1.035 355 S CA 1.282 59.481 58.200 -0.001 0.000 1.031 355 S CB -0.169 63.031 63.200 -0.000 0.000 0.928 355 S HN 0.645 nan 8.310 nan 0.000 0.433 356 E N 1.292 121.490 120.200 -0.003 0.000 2.049 356 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 356 E C 2.342 178.979 176.600 0.062 0.000 1.007 356 E CA 1.274 57.696 56.400 0.036 0.000 0.809 356 E CB -0.726 28.999 29.700 0.041 0.000 0.749 356 E HN 0.466 nan 8.360 nan 0.000 0.450 357 A N 0.932 123.723 122.820 -0.049 0.000 1.917 357 A HA -0.172 4.147 4.320 -0.000 0.000 0.219 357 A C 2.511 180.195 177.584 0.168 0.000 1.182 357 A CA 2.319 54.285 52.037 -0.118 0.000 0.633 357 A CB -1.207 17.628 19.000 -0.275 0.000 0.819 357 A HN 0.366 nan 8.150 nan 0.000 0.448 358 G N -0.364 108.492 108.800 0.094 0.000 2.418 358 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 358 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 358 G C 1.602 176.506 174.900 0.008 0.000 1.158 358 G CA 1.334 46.481 45.100 0.078 0.000 0.771 358 G HN 0.656 nan 8.290 nan 0.000 0.545 359 K N -0.620 119.717 120.400 -0.105 0.000 2.147 359 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 359 K C 1.462 177.817 176.600 -0.408 0.000 1.049 359 K CA 1.088 57.186 56.287 -0.315 0.000 0.936 359 K CB -0.248 31.949 32.500 -0.506 0.000 0.722 359 K HN 0.439 nan 8.250 nan 0.000 0.446 360 Y N 0.177 120.531 120.300 0.091 0.000 2.485 360 Y HA 0.397 4.946 4.550 -0.000 0.000 0.260 360 Y C 0.393 176.415 175.900 0.204 0.000 1.173 360 Y CA -0.397 57.780 58.100 0.128 0.000 1.252 360 Y CB 0.073 38.595 38.460 0.104 0.000 1.123 360 Y HN 0.027 nan 8.280 nan 0.000 0.524 361 A N 1.361 124.345 122.820 0.273 0.000 2.584 361 A HA 0.366 4.686 4.320 -0.000 0.000 0.239 361 A C 0.926 178.514 177.584 0.007 0.000 1.043 361 A CA 0.390 52.477 52.037 0.084 0.000 0.756 361 A CB -0.283 18.743 19.000 0.044 0.000 0.963 361 A HN 0.423 nan 8.150 nan 0.000 0.511 362 A N 0.000 122.764 122.820 -0.093 0.000 2.254 362 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 362 A CA 0.000 52.012 52.037 -0.041 0.000 0.836 362 A CB 0.000 18.957 19.000 -0.071 0.000 0.831 362 A HN 0.000 nan 8.150 nan 0.000 0.486