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 3mkt_1_A DATA FIRST_RESID 2 DATA SEQUENCE ENSVHRYKKE ASNLIKLATP VLIASVAQTG MGFVDTIMAG GVSAIDMAAV DATA SEQUENCE SIAASIWLPS ILFGVGLLMA LVPVVAQLNG AGRQHKIPFE VHQGLILALL DATA SEQUENCE VSVPIIAVLF QTQFIIRFMD VEEAMATKTV GYMHAVIFAV PAYLLFQALR DATA SEQUENCE SFTDGMSLTK PAMVIGFIGL LLNIPLNWIF VYGKFGAPEL GGVGCGVATA DATA SEQUENCE IVYWIMLLLL LFYIVTSKRL AHVKVFETFH KPQPKELIRL FRLGFPVAAA DATA SEQUENCE LFFEVTLFAV VALLVAPLGS TVVAAHQVAL NFSSLVFMFP MSIGAAVSIR DATA SEQUENCE VGHKLGEQDT KGAAIAANVG LMTGLATACI TALLTVLFRE QIALLYTENQ DATA SEQUENCE VVVALAMQLL LFAAIYQCMD AVQVVAAGSL RGYKDMTAIF HRTFISYWVL DATA SEQUENCE GLPTGYILGM TNWLTEQPLG AKGFWLGFII GLSAAALMLG QRLYWLQKQS DATA SEQUENCE DDVQLHLAAK 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.455 176.600 -0.241 0.000 1.382 2 E CA 0.000 56.158 56.400 -0.403 0.000 0.976 2 E CB 0.000 29.540 29.700 -0.267 0.000 0.812 3 N N 1.852 120.471 118.700 -0.136 0.000 2.416 3 N HA 0.092 4.836 4.740 0.007 0.000 0.271 3 N C 0.309 175.773 175.510 -0.076 0.000 1.245 3 N CA 1.067 54.072 53.050 -0.075 0.000 0.940 3 N CB 0.766 39.238 38.487 -0.025 0.000 1.175 3 N HN 0.219 nan 8.380 nan 0.000 0.483 4 S N 0.986 116.621 115.700 -0.108 0.000 2.314 4 S HA -0.297 4.177 4.470 0.007 0.000 0.232 4 S C 1.480 175.643 174.600 -0.728 0.000 1.223 4 S CA 1.767 59.862 58.200 -0.175 0.000 1.673 4 S CB -1.549 61.705 63.200 0.090 0.000 2.201 4 S HN 0.498 nan 8.310 nan 0.000 0.619 5 V N -0.708 118.881 119.914 -0.540 0.000 2.250 5 V HA -0.257 3.867 4.120 0.007 0.000 0.250 5 V C 1.878 177.548 176.094 -0.706 0.000 1.060 5 V CA 2.658 64.526 62.300 -0.719 0.000 1.030 5 V CB -1.409 30.348 31.823 -0.110 0.000 0.643 5 V HN 0.830 nan 8.190 nan 0.000 0.445 6 H N -0.791 118.012 119.070 -0.446 0.000 2.548 6 H HA 0.136 4.696 4.556 0.007 0.000 0.268 6 H C 2.432 177.597 175.328 -0.272 0.000 0.975 6 H CA 0.346 56.224 56.048 -0.283 0.000 1.195 6 H CB 0.332 30.003 29.762 -0.152 0.000 1.397 6 H HN 0.443 nan 8.280 nan 0.000 0.572 7 R N 0.681 121.039 120.500 -0.237 0.000 2.036 7 R HA -0.079 4.265 4.340 0.007 0.000 0.216 7 R C 2.271 178.503 176.300 -0.114 0.000 1.241 7 R CA 1.131 57.152 56.100 -0.133 0.000 0.964 7 R CB -0.774 29.482 30.300 -0.073 0.000 0.828 7 R HN 0.334 nan 8.270 nan 0.000 0.468 8 Y N 1.722 122.046 120.300 0.042 0.000 2.215 8 Y HA -0.277 4.277 4.550 0.007 0.000 0.282 8 Y C 1.959 177.874 175.900 0.025 0.000 1.207 8 Y CA 1.199 59.316 58.100 0.028 0.000 1.196 8 Y CB -0.824 37.651 38.460 0.025 0.000 0.969 8 Y HN 0.032 nan 8.280 nan 0.000 0.528 9 K N 0.588 121.039 120.400 0.085 0.000 1.978 9 K HA -0.225 4.100 4.320 0.007 0.000 0.221 9 K C 2.292 178.919 176.600 0.045 0.000 1.036 9 K CA 1.611 57.971 56.287 0.121 0.000 0.996 9 K CB -0.286 32.192 32.500 -0.036 0.000 0.755 9 K HN 0.136 nan 8.250 nan 0.000 0.445 10 K N 1.179 121.565 120.400 -0.022 0.000 2.015 10 K HA -0.227 4.097 4.320 0.007 0.000 0.216 10 K C 1.807 178.414 176.600 0.011 0.000 1.052 10 K CA 2.317 58.596 56.287 -0.014 0.000 0.937 10 K CB -0.304 32.181 32.500 -0.025 0.000 0.719 10 K HN 0.330 nan 8.250 nan 0.000 0.446 11 E N -0.329 119.883 120.200 0.020 0.000 2.095 11 E HA -0.342 4.012 4.350 0.007 0.000 0.212 11 E C 1.966 178.587 176.600 0.034 0.000 1.044 11 E CA 1.634 58.053 56.400 0.033 0.000 0.857 11 E CB -0.471 29.261 29.700 0.054 0.000 0.764 11 E HN 0.457 nan 8.360 nan 0.000 0.462 12 A N 1.601 124.458 122.820 0.062 0.000 1.863 12 A HA -0.340 3.984 4.320 0.007 0.000 0.218 12 A C 2.352 179.949 177.584 0.021 0.000 1.233 12 A CA 3.122 55.190 52.037 0.052 0.000 0.655 12 A CB -1.333 17.715 19.000 0.081 0.000 0.839 12 A HN 0.427 nan 8.150 nan 0.000 0.454 13 S N 0.290 116.002 115.700 0.019 0.000 2.534 13 S HA -0.297 4.177 4.470 0.007 0.000 0.217 13 S C 1.664 176.257 174.600 -0.013 0.000 1.097 13 S CA 1.454 59.654 58.200 0.000 0.000 1.288 13 S CB -1.474 61.724 63.200 -0.003 0.000 1.109 13 S HN 0.692 nan 8.310 nan 0.000 0.398 14 N N 2.384 121.076 118.700 -0.013 0.000 2.171 14 N HA -0.261 4.483 4.740 0.007 0.000 0.200 14 N C 1.773 177.264 175.510 -0.033 0.000 0.991 14 N CA 2.005 55.042 53.050 -0.021 0.000 0.906 14 N CB -0.947 37.540 38.487 -0.000 0.000 1.060 14 N HN 0.642 nan 8.380 nan 0.000 0.510 15 L N 0.279 121.488 121.223 -0.023 0.000 1.900 15 L HA -0.105 4.239 4.340 0.007 0.000 0.230 15 L C 2.248 179.081 176.870 -0.061 0.000 1.089 15 L CA 1.489 56.307 54.840 -0.037 0.000 0.807 15 L CB -1.387 40.659 42.059 -0.021 0.000 0.895 15 L HN 0.129 nan 8.230 nan 0.000 0.430 16 I N -0.815 119.723 120.570 -0.054 0.000 2.381 16 I HA -0.341 3.833 4.170 0.007 0.000 0.255 16 I C 2.503 178.578 176.117 -0.070 0.000 1.140 16 I CA 1.583 62.843 61.300 -0.068 0.000 1.404 16 I CB -0.205 37.768 38.000 -0.044 0.000 1.075 16 I HN 0.528 nan 8.210 nan 0.000 0.433 17 K N 0.634 121.000 120.400 -0.057 0.000 1.988 17 K HA -0.236 4.088 4.320 0.007 0.000 0.221 17 K C 1.997 178.551 176.600 -0.077 0.000 1.053 17 K CA 2.431 58.684 56.287 -0.057 0.000 0.959 17 K CB -0.398 32.071 32.500 -0.052 0.000 0.728 17 K HN 0.404 nan 8.250 nan 0.000 0.447 18 L N 0.249 121.413 121.223 -0.097 0.000 2.072 18 L HA -0.112 4.232 4.340 0.007 0.000 0.205 18 L C 2.550 179.327 176.870 -0.155 0.000 1.079 18 L CA 0.899 55.660 54.840 -0.132 0.000 0.752 18 L CB -0.854 41.116 42.059 -0.149 0.000 0.906 18 L HN 0.240 nan 8.230 nan 0.000 0.436 19 A N 1.597 124.327 122.820 -0.151 0.000 1.912 19 A HA -0.383 3.942 4.320 0.007 0.000 0.217 19 A C 2.486 179.960 177.584 -0.183 0.000 1.309 19 A CA 3.796 55.724 52.037 -0.181 0.000 0.726 19 A CB -1.607 17.290 19.000 -0.171 0.000 0.840 19 A HN 0.552 nan 8.150 nan 0.000 0.473 20 T N -1.989 112.475 114.554 -0.151 0.000 2.668 20 T HA -0.202 4.152 4.350 0.007 0.000 0.265 20 T C -0.122 174.508 174.700 -0.117 0.000 1.041 20 T CA 2.183 64.207 62.100 -0.127 0.000 1.160 20 T CB -2.106 66.717 68.868 -0.075 0.000 0.857 20 T HN 0.413 nan 8.240 nan 0.000 0.455 21 P HA -0.058 nan 4.420 nan 0.000 0.214 21 P C 2.246 179.476 177.300 -0.117 0.000 1.163 21 P CA 1.799 64.845 63.100 -0.089 0.000 0.883 21 P CB -0.481 31.172 31.700 -0.078 0.000 0.788 22 V N -1.859 117.957 119.914 -0.163 0.000 2.216 22 V HA -0.216 3.908 4.120 0.007 0.000 0.243 22 V C 2.231 178.242 176.094 -0.139 0.000 1.044 22 V CA 1.650 63.847 62.300 -0.172 0.000 0.995 22 V CB -2.100 29.564 31.823 -0.265 0.000 0.633 22 V HN 0.014 nan 8.190 nan 0.000 0.446 23 L N -0.265 120.842 121.223 -0.194 0.000 2.085 23 L HA -0.261 4.083 4.340 0.007 0.000 0.218 23 L C 2.494 179.281 176.870 -0.138 0.000 1.080 23 L CA 2.771 57.480 54.840 -0.218 0.000 0.776 23 L CB -0.936 40.897 42.059 -0.376 0.000 0.891 23 L HN 0.418 nan 8.230 nan 0.000 0.437 24 I N 0.013 120.497 120.570 -0.143 0.000 2.133 24 I HA -0.176 3.998 4.170 0.007 0.000 0.238 24 I C 2.785 178.808 176.117 -0.158 0.000 1.074 24 I CA 1.603 62.808 61.300 -0.159 0.000 1.342 24 I CB -0.886 36.996 38.000 -0.197 0.000 1.053 24 I HN 0.291 nan 8.210 nan 0.000 0.404 25 A N 0.273 123.019 122.820 -0.123 0.000 1.881 25 A HA -0.351 3.973 4.320 0.007 0.000 0.219 25 A C 2.542 180.125 177.584 -0.003 0.000 1.215 25 A CA 3.378 55.383 52.037 -0.053 0.000 0.648 25 A CB -1.548 17.464 19.000 0.019 0.000 0.832 25 A HN 0.572 nan 8.150 nan 0.000 0.455 26 S N -0.311 115.403 115.700 0.023 0.000 2.365 26 S HA -0.204 4.270 4.470 0.007 0.000 0.225 26 S C 1.722 176.343 174.600 0.034 0.000 1.039 26 S CA 1.772 60.011 58.200 0.065 0.000 1.033 26 S CB -1.385 61.850 63.200 0.059 0.000 0.887 26 S HN 0.415 nan 8.310 nan 0.000 0.447 27 V N 2.859 122.773 119.914 -0.000 0.000 2.370 27 V HA -0.237 3.887 4.120 0.007 0.000 0.252 27 V C 3.051 179.129 176.094 -0.026 0.000 1.068 27 V CA 1.763 64.064 62.300 0.002 0.000 1.061 27 V CB -1.790 30.019 31.823 -0.024 0.000 0.656 27 V HN 0.730 nan 8.190 nan 0.000 0.455 28 A N -0.660 122.125 122.820 -0.058 0.000 1.824 28 A HA -0.291 4.033 4.320 0.007 0.000 0.215 28 A C 2.190 179.756 177.584 -0.029 0.000 1.209 28 A CA 2.083 54.084 52.037 -0.060 0.000 0.614 28 A CB -0.812 18.149 19.000 -0.066 0.000 0.852 28 A HN 0.560 nan 8.150 nan 0.000 0.447 29 Q N -0.486 119.314 119.800 0.000 0.000 1.928 29 Q HA -0.333 4.011 4.340 0.007 0.000 0.223 29 Q C 2.175 178.159 176.000 -0.026 0.000 1.042 29 Q CA 4.060 59.857 55.803 -0.011 0.000 0.892 29 Q CB -0.833 27.917 28.738 0.021 0.000 1.001 29 Q HN 0.752 nan 8.270 nan 0.000 0.419 30 T N -2.018 112.543 114.554 0.011 0.000 2.665 30 T HA -0.150 4.205 4.350 0.007 0.000 0.268 30 T C 1.737 176.457 174.700 0.034 0.000 1.035 30 T CA 1.813 63.945 62.100 0.054 0.000 1.151 30 T CB -1.397 67.538 68.868 0.111 0.000 0.862 30 T HN 0.570 nan 8.240 nan 0.000 0.438 31 G N 2.766 111.556 108.800 -0.016 0.000 2.941 31 G HA2 -0.283 3.681 3.960 0.007 0.000 0.206 31 G HA3 -0.283 3.681 3.960 0.007 0.000 0.206 31 G C 1.583 176.336 174.900 -0.246 0.000 1.403 31 G CA 1.929 46.945 45.100 -0.140 0.000 0.805 31 G HN 0.733 nan 8.290 nan 0.000 0.689 32 M N 1.048 120.558 119.600 -0.150 0.000 2.164 32 M HA -0.129 4.355 4.480 0.007 0.000 0.251 32 M C 2.208 178.435 176.300 -0.123 0.000 1.087 32 M CA 2.791 58.017 55.300 -0.124 0.000 1.071 32 M CB -1.338 31.228 32.600 -0.057 0.000 1.347 32 M HN 0.294 nan 8.290 nan 0.000 0.399 33 G N 1.247 109.996 108.800 -0.084 0.000 2.806 33 G HA2 -0.332 3.633 3.960 0.007 0.000 0.214 33 G HA3 -0.332 3.633 3.960 0.007 0.000 0.214 33 G C 1.096 176.021 174.900 0.042 0.000 1.331 33 G CA 1.628 46.718 45.100 -0.016 0.000 0.807 33 G HN 0.757 nan 8.290 nan 0.000 0.644 34 F N 1.705 121.680 119.950 0.042 0.000 2.095 34 F HA -0.048 4.484 4.527 0.007 0.000 0.298 34 F C 2.408 178.243 175.800 0.058 0.000 1.104 34 F CA 1.253 59.287 58.000 0.056 0.000 1.232 34 F CB -1.285 37.756 39.000 0.068 0.000 0.987 34 F HN 0.061 nan 8.300 nan 0.000 0.475 35 V N 2.599 122.074 119.914 -0.731 0.000 2.254 35 V HA -0.448 3.677 4.120 0.007 0.000 0.242 35 V C 2.589 178.652 176.094 -0.051 0.000 1.024 35 V CA 2.837 64.849 62.300 -0.480 0.000 1.009 35 V CB -1.333 30.185 31.823 -0.510 0.000 0.653 35 V HN 0.594 nan 8.190 nan 0.000 0.474 36 D N -0.515 119.856 120.400 -0.048 0.000 2.158 36 D HA -0.180 4.464 4.640 0.007 0.000 0.197 36 D C 1.735 178.068 176.300 0.056 0.000 0.995 36 D CA 2.204 56.220 54.000 0.026 0.000 0.846 36 D CB -0.731 40.086 40.800 0.028 0.000 0.941 36 D HN 0.503 nan 8.370 nan 0.000 0.456 37 T N 0.586 115.179 114.554 0.065 0.000 2.508 37 T HA -0.126 4.228 4.350 0.007 0.000 0.249 37 T C 1.945 176.716 174.700 0.118 0.000 1.173 37 T CA 1.174 63.329 62.100 0.092 0.000 1.275 37 T CB -0.654 68.277 68.868 0.106 0.000 0.883 37 T HN 0.271 nan 8.240 nan 0.000 0.394 38 I N 0.870 121.548 120.570 0.180 0.000 2.099 38 I HA -0.200 3.974 4.170 0.007 0.000 0.239 38 I C 2.505 178.709 176.117 0.144 0.000 1.066 38 I CA 1.580 62.980 61.300 0.166 0.000 1.324 38 I CB -0.279 37.839 38.000 0.196 0.000 1.037 38 I HN 0.277 nan 8.210 nan 0.000 0.401 39 M N 1.585 121.311 119.600 0.209 0.000 3.138 39 M HA -0.288 4.196 4.480 0.007 0.000 0.280 39 M C 2.286 178.634 176.300 0.079 0.000 1.053 39 M CA 2.697 58.092 55.300 0.157 0.000 1.065 39 M CB -1.563 31.155 32.600 0.197 0.000 1.207 39 M HN 0.426 nan 8.290 nan 0.000 0.551 40 A N 0.021 122.883 122.820 0.069 0.000 2.240 40 A HA -0.069 4.255 4.320 0.007 0.000 0.199 40 A C 1.572 179.137 177.584 -0.031 0.000 1.172 40 A CA 1.899 53.947 52.037 0.019 0.000 0.807 40 A CB -1.888 17.136 19.000 0.041 0.000 0.830 40 A HN 0.800 nan 8.150 nan 0.000 0.527 41 G N -1.227 107.559 108.800 -0.023 0.000 2.843 41 G HA2 0.440 4.404 3.960 0.007 0.000 0.275 41 G HA3 0.440 4.404 3.960 0.007 0.000 0.275 41 G C 0.452 175.348 174.900 -0.008 0.000 0.709 41 G CA 0.809 45.884 45.100 -0.041 0.000 2.089 41 G HN 1.362 nan 8.290 nan 0.000 0.571 42 G N -0.136 108.653 108.800 -0.018 0.000 3.791 42 G HA2 -0.062 3.903 3.960 0.007 0.000 0.117 42 G HA3 -0.062 3.903 3.960 0.007 0.000 0.117 42 G C 0.776 175.671 174.900 -0.009 0.000 1.177 42 G CA 0.395 45.501 45.100 0.010 0.000 1.242 42 G HN 0.395 nan 8.290 nan 0.000 0.502 43 V N 2.585 122.498 119.914 -0.002 0.000 3.623 43 V HA 0.164 4.288 4.120 0.007 0.000 0.274 43 V C 1.968 178.037 176.094 -0.043 0.000 1.244 43 V CA 1.866 64.156 62.300 -0.017 0.000 1.182 43 V CB 0.008 31.828 31.823 -0.004 0.000 0.925 43 V HN 0.357 nan 8.190 nan 0.000 0.462 44 S N 0.547 116.200 115.700 -0.078 0.000 2.738 44 S HA 0.318 4.792 4.470 0.007 0.000 0.216 44 S C 1.489 176.002 174.600 -0.145 0.000 0.968 44 S CA 0.471 58.580 58.200 -0.151 0.000 0.879 44 S CB -0.006 63.030 63.200 -0.273 0.000 0.837 44 S HN 0.525 nan 8.310 nan 0.000 0.622 45 A N 3.039 125.778 122.820 -0.135 0.000 2.899 45 A HA 0.306 4.631 4.320 0.007 0.000 0.287 45 A C 0.372 177.923 177.584 -0.055 0.000 1.715 45 A CA -0.274 51.705 52.037 -0.096 0.000 1.393 45 A CB -1.262 17.690 19.000 -0.080 0.000 1.070 45 A HN 0.463 nan 8.150 nan 0.000 0.587 46 I N 1.754 122.295 120.570 -0.047 0.000 2.733 46 I HA -0.328 3.846 4.170 0.007 0.000 0.126 46 I C 0.604 176.708 176.117 -0.022 0.000 0.882 46 I CA 1.595 62.877 61.300 -0.029 0.000 2.786 46 I CB -2.237 35.751 38.000 -0.020 0.000 0.556 46 I HN 0.783 nan 8.210 nan 0.000 0.352 47 D N -0.183 120.204 120.400 -0.022 0.000 2.601 47 D HA -0.245 4.399 4.640 0.007 0.000 0.180 47 D C 0.695 176.994 176.300 -0.001 0.000 1.213 47 D CA 1.614 55.609 54.000 -0.008 0.000 1.112 47 D CB -0.468 40.330 40.800 -0.003 0.000 1.132 47 D HN 0.404 nan 8.370 nan 0.000 0.418 48 M N -0.186 119.409 119.600 -0.009 0.000 2.974 48 M HA 0.563 5.048 4.480 0.007 0.000 0.301 48 M C 0.992 177.285 176.300 -0.011 0.000 1.409 48 M CA 0.159 55.456 55.300 -0.006 0.000 1.515 48 M CB -0.028 32.567 32.600 -0.008 0.000 1.163 48 M HN 0.249 nan 8.290 nan 0.000 0.520 49 A N 1.030 123.848 122.820 -0.003 0.000 2.511 49 A HA 0.426 4.750 4.320 0.007 0.000 0.201 49 A C 1.504 179.097 177.584 0.016 0.000 1.628 49 A CA 0.494 52.528 52.037 -0.005 0.000 1.578 49 A CB -0.946 18.038 19.000 -0.027 0.000 1.443 49 A HN 0.514 nan 8.150 nan 0.000 0.514 50 A N 0.735 123.570 122.820 0.025 0.000 2.125 50 A HA 0.065 4.389 4.320 0.007 0.000 0.199 50 A C 2.173 179.789 177.584 0.053 0.000 1.193 50 A CA 3.457 55.525 52.037 0.052 0.000 0.747 50 A CB -1.737 17.303 19.000 0.066 0.000 0.853 50 A HN 1.693 nan 8.150 nan 0.000 0.513 51 V N -1.268 118.676 119.914 0.051 0.000 2.409 51 V HA -0.329 3.795 4.120 0.007 0.000 0.261 51 V C 2.138 178.245 176.094 0.022 0.000 1.099 51 V CA 2.857 65.176 62.300 0.032 0.000 1.100 51 V CB -1.988 29.843 31.823 0.013 0.000 0.677 51 V HN 0.540 nan 8.190 nan 0.000 0.460 52 S N 2.852 118.566 115.700 0.022 0.000 2.414 52 S HA -0.241 4.233 4.470 0.007 0.000 0.225 52 S C 1.860 176.479 174.600 0.032 0.000 1.041 52 S CA 2.277 60.488 58.200 0.018 0.000 1.114 52 S CB -0.836 62.373 63.200 0.014 0.000 1.064 52 S HN 0.875 nan 8.310 nan 0.000 0.420 53 I N 1.997 122.592 120.570 0.042 0.000 2.530 53 I HA -0.052 4.122 4.170 0.007 0.000 0.257 53 I C 2.106 178.275 176.117 0.086 0.000 1.179 53 I CA 0.605 61.943 61.300 0.063 0.000 1.440 53 I CB -1.382 36.663 38.000 0.073 0.000 1.087 53 I HN 0.228 nan 8.210 nan 0.000 0.440 54 A N 1.833 124.698 122.820 0.074 0.000 1.873 54 A HA -0.032 4.292 4.320 0.007 0.000 0.211 54 A C 2.621 180.262 177.584 0.095 0.000 1.218 54 A CA 2.682 54.769 52.037 0.084 0.000 0.659 54 A CB -1.618 17.413 19.000 0.052 0.000 0.853 54 A HN 0.573 nan 8.150 nan 0.000 0.466 55 A N -0.951 121.884 122.820 0.026 0.000 1.940 55 A HA -0.256 4.069 4.320 0.007 0.000 0.221 55 A C 2.484 180.162 177.584 0.157 0.000 1.190 55 A CA 3.020 55.056 52.037 -0.001 0.000 0.647 55 A CB -1.390 17.541 19.000 -0.115 0.000 0.821 55 A HN 0.951 nan 8.150 nan 0.000 0.457 56 S N -0.258 115.511 115.700 0.115 0.000 2.389 56 S HA -0.228 4.246 4.470 0.007 0.000 0.229 56 S C 1.871 176.591 174.600 0.199 0.000 1.048 56 S CA 1.889 60.166 58.200 0.129 0.000 1.117 56 S CB -0.568 62.675 63.200 0.071 0.000 1.020 56 S HN 0.513 nan 8.310 nan 0.000 0.430 57 I N -0.234 120.456 120.570 0.200 0.000 2.423 57 I HA -0.181 3.993 4.170 0.007 0.000 0.254 57 I C 2.111 178.402 176.117 0.289 0.000 1.151 57 I CA 1.238 62.673 61.300 0.225 0.000 1.421 57 I CB -0.466 37.641 38.000 0.178 0.000 1.079 57 I HN 0.560 nan 8.210 nan 0.000 0.431 58 W N 1.520 122.881 121.300 0.103 0.000 2.296 58 W HA -0.284 4.380 4.660 0.006 0.000 0.296 58 W C 1.971 178.571 176.519 0.135 0.000 1.220 58 W CA 1.540 58.951 57.345 0.110 0.000 1.223 58 W CB -0.234 29.279 29.460 0.089 0.000 1.139 58 W HN 0.039 nan 8.180 nan 0.000 0.534 59 L N 0.222 121.655 121.223 0.350 0.000 2.007 59 L HA -0.023 4.321 4.340 0.007 0.000 0.205 59 L C -0.663 176.324 176.870 0.195 0.000 1.073 59 L CA 1.734 56.708 54.840 0.223 0.000 0.744 59 L CB -2.466 39.737 42.059 0.240 0.000 0.898 59 L HN -0.240 nan 8.230 nan 0.000 0.435 60 P HA -0.048 nan 4.420 nan 0.000 0.261 60 P C 1.204 178.618 177.300 0.189 0.000 1.297 60 P CA 0.969 64.183 63.100 0.190 0.000 0.757 60 P CB 0.122 31.924 31.700 0.169 0.000 1.149 61 S N -0.596 115.228 115.700 0.207 0.000 2.591 61 S HA -0.000 4.474 4.470 0.007 0.000 0.235 61 S C 1.588 176.385 174.600 0.328 0.000 1.074 61 S CA 0.076 58.437 58.200 0.270 0.000 0.925 61 S CB -0.482 62.837 63.200 0.199 0.000 0.818 61 S HN 0.087 nan 8.310 nan 0.000 0.535 62 I N 1.984 122.651 120.570 0.162 0.000 2.335 62 I HA -0.031 4.143 4.170 0.007 0.000 0.251 62 I C 2.019 178.218 176.117 0.136 0.000 1.129 62 I CA 1.344 62.727 61.300 0.137 0.000 1.402 62 I CB -0.856 37.152 38.000 0.013 0.000 1.069 62 I HN 0.400 nan 8.210 nan 0.000 0.424 63 L N -0.092 121.219 121.223 0.146 0.000 1.961 63 L HA -0.155 4.189 4.340 0.007 0.000 0.210 63 L C 2.446 179.322 176.870 0.009 0.000 1.072 63 L CA 1.771 56.682 54.840 0.119 0.000 0.749 63 L CB -0.769 41.405 42.059 0.192 0.000 0.889 63 L HN 0.173 nan 8.230 nan 0.000 0.432 64 F N 1.356 121.220 119.950 -0.144 0.000 2.257 64 F HA -0.216 4.315 4.527 0.007 0.000 0.302 64 F C 2.130 177.298 175.800 -1.053 0.000 1.056 64 F CA 1.241 59.022 58.000 -0.364 0.000 1.353 64 F CB -1.049 37.894 39.000 -0.095 0.000 1.064 64 F HN 0.285 nan 8.300 nan 0.000 0.520 65 G N -0.002 108.245 108.800 -0.922 0.000 2.666 65 G HA2 -0.285 3.679 3.960 0.007 0.000 0.215 65 G HA3 -0.285 3.679 3.960 0.007 0.000 0.215 65 G C 1.571 176.132 174.900 -0.566 0.000 1.294 65 G CA 1.843 46.329 45.100 -1.025 0.000 0.811 65 G HN 0.375 nan 8.290 nan 0.000 0.594 66 V N -0.012 119.732 119.914 -0.284 0.000 3.284 66 V HA 0.106 4.230 4.120 0.007 0.000 0.273 66 V C 2.487 178.432 176.094 -0.248 0.000 1.178 66 V CA 1.534 63.707 62.300 -0.212 0.000 1.177 66 V CB -1.237 30.517 31.823 -0.115 0.000 0.793 66 V HN 0.372 nan 8.190 nan 0.000 0.536 67 G N -0.079 108.485 108.800 -0.393 0.000 2.408 67 G HA2 -0.092 3.872 3.960 0.007 0.000 0.215 67 G HA3 -0.092 3.872 3.960 0.007 0.000 0.215 67 G C 1.343 175.972 174.900 -0.451 0.000 1.156 67 G CA 0.586 45.412 45.100 -0.457 0.000 0.793 67 G HN 0.435 nan 8.290 nan 0.000 0.535 68 L N 1.084 122.039 121.223 -0.446 0.000 2.478 68 L HA 0.250 4.594 4.340 0.007 0.000 0.223 68 L C 2.399 179.169 176.870 -0.165 0.000 1.140 68 L CA 0.683 55.369 54.840 -0.257 0.000 0.842 68 L CB -0.546 41.468 42.059 -0.075 0.000 0.953 68 L HN 0.295 nan 8.230 nan 0.000 0.452 69 L N -0.798 120.316 121.223 -0.182 0.000 1.971 69 L HA -0.298 4.047 4.340 0.007 0.000 0.215 69 L C 2.549 179.370 176.870 -0.081 0.000 1.072 69 L CA 1.517 56.285 54.840 -0.120 0.000 0.758 69 L CB -0.104 41.887 42.059 -0.114 0.000 0.889 69 L HN 0.179 nan 8.230 nan 0.000 0.433 70 M N 0.090 119.627 119.600 -0.106 0.000 2.661 70 M HA -0.239 4.245 4.480 0.007 0.000 0.273 70 M C 2.516 178.753 176.300 -0.104 0.000 1.068 70 M CA 1.990 57.236 55.300 -0.089 0.000 1.079 70 M CB -1.920 30.608 32.600 -0.118 0.000 1.223 70 M HN 0.521 nan 8.290 nan 0.000 0.495 71 A N 1.052 123.761 122.820 -0.185 0.000 1.826 71 A HA -0.305 4.019 4.320 0.007 0.000 0.267 71 A C 2.191 179.737 177.584 -0.062 0.000 2.510 71 A CA 2.668 54.580 52.037 -0.209 0.000 0.865 71 A CB -1.614 17.223 19.000 -0.272 0.000 0.830 71 A HN 0.564 nan 8.150 nan 0.000 0.508 72 L N -0.376 120.842 121.223 -0.008 0.000 2.013 72 L HA -0.180 4.164 4.340 0.007 0.000 0.212 72 L C 2.638 179.534 176.870 0.042 0.000 1.073 72 L CA 2.551 57.424 54.840 0.056 0.000 0.753 72 L CB -1.356 40.743 42.059 0.067 0.000 0.890 72 L HN 0.368 nan 8.230 nan 0.000 0.432 73 V N 0.928 120.849 119.914 0.013 0.000 2.220 73 V HA -0.237 3.888 4.120 0.007 0.000 0.250 73 V C -1.004 175.098 176.094 0.012 0.000 1.053 73 V CA 2.129 64.436 62.300 0.011 0.000 1.019 73 V CB -1.894 29.929 31.823 0.000 0.000 0.646 73 V HN 0.331 nan 8.190 nan 0.000 0.455 74 P HA 0.102 nan 4.420 nan 0.000 0.228 74 P C 0.283 177.614 177.300 0.051 0.000 1.748 74 P CA 0.515 63.620 63.100 0.010 0.000 0.909 74 P CB -0.201 31.492 31.700 -0.012 0.000 1.882 75 V N -3.818 116.139 119.914 0.072 0.000 3.477 75 V HA 0.154 4.278 4.120 0.007 0.000 0.297 75 V C 1.149 177.290 176.094 0.078 0.000 1.433 75 V CA 0.139 62.507 62.300 0.113 0.000 1.052 75 V CB 0.221 32.135 31.823 0.150 0.000 0.895 75 V HN 0.025 nan 8.190 nan 0.000 0.438 76 V N 2.118 122.059 119.914 0.045 0.000 3.570 76 V HA 0.431 4.555 4.120 0.007 0.000 0.293 76 V C 1.816 177.905 176.094 -0.008 0.000 1.237 76 V CA 0.994 63.301 62.300 0.012 0.000 1.226 76 V CB -0.586 31.232 31.823 -0.008 0.000 1.028 76 V HN 0.683 nan 8.190 nan 0.000 0.430 77 A N 0.564 123.392 122.820 0.015 0.000 2.810 77 A HA 0.153 4.477 4.320 0.007 0.000 0.247 77 A C 1.564 179.155 177.584 0.012 0.000 1.576 77 A CA 0.468 52.510 52.037 0.009 0.000 1.294 77 A CB -0.327 18.683 19.000 0.017 0.000 0.976 77 A HN 0.854 nan 8.150 nan 0.000 0.631 78 Q N -1.250 118.532 119.800 -0.031 0.000 2.390 78 Q HA 0.195 4.540 4.340 0.007 0.000 0.216 78 Q C 0.511 176.441 176.000 -0.116 0.000 0.916 78 Q CA -0.055 55.696 55.803 -0.088 0.000 0.911 78 Q CB -0.303 28.334 28.738 -0.168 0.000 1.035 78 Q HN 0.365 nan 8.270 nan 0.000 0.541 79 L N 2.769 123.927 121.223 -0.108 0.000 2.994 79 L HA 0.090 4.434 4.340 0.007 0.000 0.256 79 L C 0.354 177.190 176.870 -0.056 0.000 1.315 79 L CA 0.673 55.453 54.840 -0.099 0.000 1.143 79 L CB -0.594 41.408 42.059 -0.094 0.000 1.530 79 L HN 0.459 nan 8.230 nan 0.000 0.422 80 N N -1.214 117.467 118.700 -0.031 0.000 1.926 80 N HA -0.018 4.727 4.740 0.007 0.000 0.221 80 N C 0.829 176.382 175.510 0.072 0.000 1.410 80 N CA 0.422 53.483 53.050 0.018 0.000 0.711 80 N CB 0.490 38.996 38.487 0.032 0.000 1.126 80 N HN 0.187 nan 8.380 nan 0.000 0.546 81 G N 1.466 110.266 108.800 -0.000 0.000 2.909 81 G HA2 0.365 4.329 3.960 0.007 0.000 0.269 81 G HA3 0.365 4.329 3.960 0.007 0.000 0.269 81 G C 1.209 176.063 174.900 -0.077 0.000 0.726 81 G CA 0.517 45.560 45.100 -0.094 0.000 2.082 81 G HN 0.590 nan 8.290 nan 0.000 0.588 82 A N -0.113 122.716 122.820 0.015 0.000 3.292 82 A HA -0.184 4.140 4.320 0.007 0.000 0.273 82 A C 1.910 179.479 177.584 -0.024 0.000 1.153 82 A CA 2.297 54.337 52.037 0.004 0.000 0.998 82 A CB -1.423 17.569 19.000 -0.015 0.000 0.977 82 A HN 1.701 nan 8.150 nan 0.000 0.707 83 G N -1.501 107.278 108.800 -0.035 0.000 2.580 83 G HA2 0.349 4.313 3.960 0.007 0.000 0.225 83 G HA3 0.349 4.313 3.960 0.007 0.000 0.225 83 G C 0.483 175.366 174.900 -0.028 0.000 1.521 83 G CA -0.333 44.744 45.100 -0.038 0.000 1.068 83 G HN 0.636 nan 8.290 nan 0.000 0.564 84 R N 1.309 121.792 120.500 -0.029 0.000 4.266 84 R HA -0.132 4.213 4.340 0.007 0.000 0.146 84 R C 2.291 178.583 176.300 -0.014 0.000 1.642 84 R CA 0.623 56.713 56.100 -0.016 0.000 1.295 84 R CB -0.582 29.701 30.300 -0.029 0.000 1.220 84 R HN 0.701 nan 8.270 nan 0.000 0.614 85 Q N -0.739 119.059 119.800 -0.004 0.000 2.268 85 Q HA -0.250 4.095 4.340 0.007 0.000 0.210 85 Q C 0.514 176.532 176.000 0.030 0.000 0.988 85 Q CA 1.552 57.356 55.803 0.002 0.000 0.883 85 Q CB -0.241 28.482 28.738 -0.024 0.000 0.911 85 Q HN 0.589 nan 8.270 nan 0.000 0.430 86 H N -0.303 118.754 119.070 -0.023 0.000 2.559 86 H HA 0.280 4.840 4.556 0.007 0.000 0.343 86 H C -0.035 175.288 175.328 -0.007 0.000 1.209 86 H CA 0.318 56.359 56.048 -0.013 0.000 1.287 86 H CB 1.066 30.816 29.762 -0.020 0.000 1.650 86 H HN 0.153 nan 8.280 nan 0.000 0.567 87 K N 0.090 119.711 120.400 -1.297 0.000 3.448 87 K HA -0.235 4.089 4.320 0.007 0.000 0.292 87 K C 1.697 178.094 176.600 -0.339 0.000 0.847 87 K CA 1.257 57.198 56.287 -0.577 0.000 1.278 87 K CB -1.852 30.544 32.500 -0.173 0.000 1.266 87 K HN 0.592 nan 8.250 nan 0.000 0.523 88 I N -0.231 120.163 120.570 -0.295 0.000 2.226 88 I HA -0.109 4.065 4.170 0.007 0.000 0.245 88 I C -1.124 174.910 176.117 -0.139 0.000 1.100 88 I CA 1.235 62.444 61.300 -0.151 0.000 1.374 88 I CB -0.784 37.164 38.000 -0.087 0.000 1.057 88 I HN -0.025 nan 8.210 nan 0.000 0.413 89 P HA -0.213 nan 4.420 nan 0.000 0.215 89 P C 1.893 178.964 177.300 -0.382 0.000 1.157 89 P CA 1.903 64.897 63.100 -0.176 0.000 0.874 89 P CB -0.243 31.377 31.700 -0.133 0.000 0.790 90 F N -0.423 119.224 119.950 -0.505 0.000 2.186 90 F HA -0.183 4.349 4.527 0.007 0.000 0.299 90 F C 2.456 178.117 175.800 -0.233 0.000 1.090 90 F CA 0.412 58.154 58.000 -0.429 0.000 1.307 90 F CB 0.043 38.914 39.000 -0.214 0.000 1.019 90 F HN -0.092 nan 8.300 nan 0.000 0.489 91 E N 0.674 120.846 120.200 -0.047 0.000 2.033 91 E HA -0.214 4.141 4.350 0.007 0.000 0.199 91 E C 2.033 178.612 176.600 -0.034 0.000 1.011 91 E CA 1.912 58.257 56.400 -0.093 0.000 0.815 91 E CB -0.864 28.788 29.700 -0.081 0.000 0.755 91 E HN 0.158 nan 8.360 nan 0.000 0.451 92 V N 0.978 120.914 119.914 0.037 0.000 2.218 92 V HA -0.387 3.737 4.120 0.007 0.000 0.251 92 V C 2.283 178.508 176.094 0.218 0.000 1.057 92 V CA 2.608 64.989 62.300 0.134 0.000 1.022 92 V CB -1.002 30.955 31.823 0.224 0.000 0.645 92 V HN 0.475 nan 8.190 nan 0.000 0.451 93 H N -0.386 118.736 119.070 0.087 0.000 2.368 93 H HA -0.225 4.335 4.556 0.007 0.000 0.292 93 H C 2.352 177.687 175.328 0.012 0.000 1.117 93 H CA 2.086 58.197 56.048 0.107 0.000 1.231 93 H CB -0.516 29.412 29.762 0.276 0.000 1.359 93 H HN 0.431 nan 8.280 nan 0.000 0.490 94 Q N -0.457 119.374 119.800 0.053 0.000 2.049 94 Q HA 0.003 4.347 4.340 0.007 0.000 0.198 94 Q C 2.807 178.777 176.000 -0.049 0.000 0.971 94 Q CA 1.208 56.960 55.803 -0.086 0.000 0.833 94 Q CB -0.831 27.749 28.738 -0.264 0.000 0.896 94 Q HN 0.605 nan 8.270 nan 0.000 0.434 95 G N 1.416 110.202 108.800 -0.024 0.000 2.469 95 G HA2 -0.268 3.696 3.960 0.007 0.000 0.219 95 G HA3 -0.268 3.696 3.960 0.007 0.000 0.219 95 G C 1.515 176.418 174.900 0.005 0.000 1.150 95 G CA 0.814 45.907 45.100 -0.012 0.000 0.763 95 G HN 0.338 nan 8.290 nan 0.000 0.561 96 L N 0.081 121.323 121.223 0.032 0.000 2.056 96 L HA -0.016 4.328 4.340 0.007 0.000 0.207 96 L C 2.777 179.660 176.870 0.023 0.000 1.078 96 L CA 0.749 55.610 54.840 0.035 0.000 0.749 96 L CB -0.213 41.873 42.059 0.046 0.000 0.901 96 L HN 0.088 nan 8.230 nan 0.000 0.433 97 I N 0.030 120.611 120.570 0.017 0.000 2.151 97 I HA -0.332 3.842 4.170 0.007 0.000 0.243 97 I C 2.599 178.707 176.117 -0.016 0.000 1.080 97 I CA 1.450 62.753 61.300 0.006 0.000 1.339 97 I CB -1.139 36.862 38.000 0.002 0.000 1.039 97 I HN 0.375 nan 8.210 nan 0.000 0.409 98 L N 1.592 122.794 121.223 -0.035 0.000 2.127 98 L HA -0.146 4.198 4.340 0.007 0.000 0.211 98 L C 2.549 179.415 176.870 -0.007 0.000 1.089 98 L CA 2.091 56.902 54.840 -0.048 0.000 0.757 98 L CB -1.025 41.004 42.059 -0.050 0.000 0.899 98 L HN 0.202 nan 8.230 nan 0.000 0.434 99 A N -0.479 122.346 122.820 0.008 0.000 1.892 99 A HA -0.225 4.099 4.320 0.007 0.000 0.218 99 A C 2.155 179.755 177.584 0.026 0.000 1.188 99 A CA 2.262 54.313 52.037 0.023 0.000 0.631 99 A CB -0.900 18.123 19.000 0.040 0.000 0.822 99 A HN 0.452 nan 8.150 nan 0.000 0.447 100 L N -0.267 120.967 121.223 0.018 0.000 1.976 100 L HA -0.130 4.214 4.340 0.007 0.000 0.209 100 L C 2.452 179.309 176.870 -0.021 0.000 1.071 100 L CA 1.577 56.421 54.840 0.007 0.000 0.746 100 L CB -0.893 41.169 42.059 0.006 0.000 0.890 100 L HN 0.398 nan 8.230 nan 0.000 0.432 101 L N -1.503 119.703 121.223 -0.027 0.000 2.283 101 L HA -0.266 4.078 4.340 0.007 0.000 0.217 101 L C 2.228 179.093 176.870 -0.009 0.000 1.104 101 L CA 0.706 55.522 54.840 -0.041 0.000 0.772 101 L CB -0.822 41.186 42.059 -0.085 0.000 0.899 101 L HN 0.171 nan 8.230 nan 0.000 0.439 102 V N -0.872 119.048 119.914 0.010 0.000 2.521 102 V HA -0.149 3.975 4.120 0.007 0.000 0.239 102 V C 2.497 178.575 176.094 -0.027 0.000 1.053 102 V CA 1.351 63.669 62.300 0.029 0.000 1.073 102 V CB 0.281 32.132 31.823 0.047 0.000 0.746 102 V HN 0.555 nan 8.190 nan 0.000 0.476 103 S N 0.652 116.336 115.700 -0.025 0.000 2.380 103 S HA -0.279 4.195 4.470 0.007 0.000 0.229 103 S C 1.962 176.285 174.600 -0.461 0.000 1.050 103 S CA 2.048 60.202 58.200 -0.078 0.000 1.100 103 S CB -1.133 62.102 63.200 0.058 0.000 0.984 103 S HN 0.266 nan 8.310 nan 0.000 0.434 104 V N 3.657 123.367 119.914 -0.341 0.000 2.255 104 V HA -0.104 4.020 4.120 0.007 0.000 0.247 104 V C -0.317 175.612 176.094 -0.276 0.000 1.051 104 V CA 2.241 64.323 62.300 -0.363 0.000 1.018 104 V CB -1.801 29.909 31.823 -0.188 0.000 0.641 104 V HN 0.373 nan 8.190 nan 0.000 0.445 105 P HA -0.132 nan 4.420 nan 0.000 0.220 105 P C 1.554 178.814 177.300 -0.068 0.000 1.144 105 P CA 1.347 64.407 63.100 -0.066 0.000 0.800 105 P CB 0.019 31.716 31.700 -0.005 0.000 0.772 106 I N -1.931 118.559 120.570 -0.132 0.000 3.228 106 I HA -0.007 4.167 4.170 0.007 0.000 0.279 106 I C 2.050 178.100 176.117 -0.112 0.000 1.221 106 I CA 0.480 61.761 61.300 -0.031 0.000 1.458 106 I CB -0.760 37.309 38.000 0.115 0.000 1.105 106 I HN -0.026 nan 8.210 nan 0.000 0.445 107 I N 1.209 121.384 120.570 -0.658 0.000 2.208 107 I HA -0.310 3.864 4.170 0.007 0.000 0.245 107 I C 2.778 178.913 176.117 0.030 0.000 1.097 107 I CA 1.263 62.195 61.300 -0.613 0.000 1.363 107 I CB -0.521 37.129 38.000 -0.583 0.000 1.051 107 I HN 0.128 nan 8.210 nan 0.000 0.413 108 A N 1.214 124.023 122.820 -0.019 0.000 1.885 108 A HA -0.257 4.067 4.320 0.007 0.000 0.215 108 A C 2.389 180.060 177.584 0.145 0.000 1.255 108 A CA 2.736 54.825 52.037 0.086 0.000 0.692 108 A CB -1.347 17.676 19.000 0.039 0.000 0.842 108 A HN 0.192 nan 8.150 nan 0.000 0.465 109 V N 0.487 120.471 119.914 0.117 0.000 2.233 109 V HA -0.353 3.771 4.120 0.007 0.000 0.256 109 V C 2.428 178.633 176.094 0.185 0.000 1.069 109 V CA 2.368 64.749 62.300 0.136 0.000 1.054 109 V CB -1.209 30.693 31.823 0.132 0.000 0.664 109 V HN 0.653 nan 8.190 nan 0.000 0.453 110 L N -0.166 121.225 121.223 0.279 0.000 1.925 110 L HA -0.270 4.074 4.340 0.007 0.000 0.232 110 L C 2.347 179.386 176.870 0.283 0.000 1.089 110 L CA 3.017 58.057 54.840 0.333 0.000 0.806 110 L CB -1.328 41.074 42.059 0.573 0.000 0.899 110 L HN 0.438 nan 8.230 nan 0.000 0.435 111 F N 0.560 120.628 119.950 0.197 0.000 2.079 111 F HA -0.429 4.102 4.527 0.007 0.000 0.296 111 F C 2.712 178.572 175.800 0.100 0.000 1.084 111 F CA 2.613 60.676 58.000 0.106 0.000 1.236 111 F CB -0.241 38.766 39.000 0.012 0.000 0.984 111 F HN 0.431 nan 8.300 nan 0.000 0.488 112 Q N -0.092 119.584 119.800 -0.206 0.000 2.020 112 Q HA -0.152 4.192 4.340 0.007 0.000 0.198 112 Q C 2.421 178.367 176.000 -0.089 0.000 0.974 112 Q CA 2.493 58.136 55.803 -0.268 0.000 0.829 112 Q CB -0.941 27.769 28.738 -0.047 0.000 0.894 112 Q HN 0.463 nan 8.270 nan 0.000 0.433 113 T N -0.619 113.947 114.554 0.020 0.000 2.788 113 T HA -0.153 4.201 4.350 0.007 0.000 0.268 113 T C 1.543 176.282 174.700 0.065 0.000 1.044 113 T CA 1.391 63.530 62.100 0.065 0.000 1.139 113 T CB -0.077 68.860 68.868 0.114 0.000 0.867 113 T HN 0.287 nan 8.240 nan 0.000 0.454 114 Q N 0.047 119.890 119.800 0.073 0.000 2.084 114 Q HA 0.008 4.352 4.340 0.007 0.000 0.202 114 Q C 1.613 177.669 176.000 0.094 0.000 0.978 114 Q CA 1.060 56.921 55.803 0.097 0.000 0.844 114 Q CB -0.739 28.086 28.738 0.144 0.000 0.898 114 Q HN 0.585 nan 8.270 nan 0.000 0.426 115 F N -0.462 119.357 119.950 -0.217 0.000 2.695 115 F HA 0.079 4.609 4.527 0.006 0.000 0.301 115 F C 1.238 176.945 175.800 -0.155 0.000 1.182 115 F CA 0.052 57.903 58.000 -0.249 0.000 1.412 115 F CB 0.245 38.909 39.000 -0.561 0.000 1.056 115 F HN -0.025 nan 8.300 nan 0.000 0.522 116 I N -2.069 118.493 120.570 -0.013 0.000 5.306 116 I HA 0.092 4.266 4.170 0.007 0.000 0.380 116 I C 0.342 176.460 176.117 0.002 0.000 1.103 116 I CA 0.177 61.466 61.300 -0.018 0.000 1.600 116 I CB -0.149 37.858 38.000 0.012 0.000 2.138 116 I HN -0.122 nan 8.210 nan 0.000 0.707 117 I N -0.189 120.400 120.570 0.031 0.000 7.292 117 I HA -0.389 3.785 4.170 0.007 0.000 0.126 117 I C 1.690 177.857 176.117 0.083 0.000 1.519 117 I CA 1.239 62.575 61.300 0.059 0.000 2.398 117 I CB -0.943 37.077 38.000 0.033 0.000 3.030 117 I HN 0.191 nan 8.210 nan 0.000 0.266 118 R N -0.901 119.664 120.500 0.109 0.000 2.084 118 R HA 0.360 4.704 4.340 0.007 0.000 0.209 118 R C 0.594 177.015 176.300 0.202 0.000 1.173 118 R CA 1.107 57.292 56.100 0.142 0.000 1.053 118 R CB -0.092 30.288 30.300 0.134 0.000 0.948 118 R HN 0.494 nan 8.270 nan 0.000 0.460 119 F N -0.727 119.217 119.950 -0.011 0.000 2.990 119 F HA 0.568 5.099 4.527 0.006 0.000 0.357 119 F C -0.769 175.016 175.800 -0.025 0.000 1.395 119 F CA -0.994 56.994 58.000 -0.021 0.000 1.087 119 F CB 0.929 39.909 39.000 -0.032 0.000 1.655 119 F HN -0.166 nan 8.300 nan 0.000 0.456 120 M N 1.311 120.758 119.600 -0.255 0.000 2.265 120 M HA 0.244 4.728 4.480 0.007 0.000 0.262 120 M C -2.088 174.156 176.300 -0.092 0.000 1.026 120 M CA -0.118 55.062 55.300 -0.201 0.000 0.987 120 M CB 1.424 33.836 32.600 -0.313 0.000 1.937 120 M HN 0.609 nan 8.290 nan 0.000 0.481 121 D N 2.051 122.450 120.400 -0.001 0.000 3.093 121 D HA 0.309 4.953 4.640 0.007 0.000 0.206 121 D C 1.022 177.319 176.300 -0.005 0.000 1.512 121 D CA 1.190 55.204 54.000 0.023 0.000 1.420 121 D CB 0.846 41.684 40.800 0.063 0.000 1.166 121 D HN 0.460 nan 8.370 nan 0.000 0.285 122 V N -2.922 116.991 119.914 -0.002 0.000 3.041 122 V HA 0.209 4.333 4.120 0.007 0.000 0.243 122 V C 1.577 177.667 176.094 -0.007 0.000 1.684 122 V CA -0.066 62.228 62.300 -0.009 0.000 1.063 122 V CB 0.430 32.250 31.823 -0.005 0.000 0.978 122 V HN 0.058 nan 8.190 nan 0.000 0.413 123 E N 2.230 122.430 120.200 -0.001 0.000 2.049 123 E HA -0.310 4.044 4.350 0.007 0.000 0.198 123 E C 1.762 178.361 176.600 -0.001 0.000 1.007 123 E CA 2.731 59.133 56.400 0.002 0.000 0.809 123 E CB -0.148 29.556 29.700 0.007 0.000 0.749 123 E HN 0.906 nan 8.360 nan 0.000 0.450 124 E N 1.211 121.407 120.200 -0.006 0.000 2.813 124 E HA -0.342 4.012 4.350 0.007 0.000 0.233 124 E C 1.913 178.503 176.600 -0.017 0.000 0.922 124 E CA 2.600 58.990 56.400 -0.017 0.000 1.351 124 E CB -1.521 28.154 29.700 -0.041 0.000 1.349 124 E HN 0.331 nan 8.360 nan 0.000 0.485 125 A N 1.186 123.990 122.820 -0.027 0.000 1.858 125 A HA -0.144 4.180 4.320 0.007 0.000 0.216 125 A C 2.240 179.835 177.584 0.017 0.000 1.190 125 A CA 2.433 54.459 52.037 -0.018 0.000 0.617 125 A CB -0.721 18.265 19.000 -0.023 0.000 0.827 125 A HN 0.388 nan 8.150 nan 0.000 0.443 126 M N -0.939 118.669 119.600 0.012 0.000 6.504 126 M HA -0.174 4.310 4.480 0.007 0.000 0.365 126 M C 2.338 178.649 176.300 0.018 0.000 1.031 126 M CA 1.274 56.585 55.300 0.019 0.000 1.056 126 M CB -0.796 31.809 32.600 0.008 0.000 0.985 126 M HN 0.394 nan 8.290 nan 0.000 0.992 127 A N -0.293 122.531 122.820 0.007 0.000 2.023 127 A HA -0.227 4.097 4.320 0.007 0.000 0.223 127 A C 2.027 179.596 177.584 -0.025 0.000 1.180 127 A CA 2.583 54.615 52.037 -0.007 0.000 0.659 127 A CB -1.606 17.398 19.000 0.006 0.000 0.817 127 A HN 0.768 nan 8.150 nan 0.000 0.466 128 T N -0.081 114.476 114.554 0.004 0.000 2.393 128 T HA -0.125 4.229 4.350 0.007 0.000 0.231 128 T C 1.855 176.581 174.700 0.043 0.000 1.377 128 T CA 1.437 63.549 62.100 0.020 0.000 1.375 128 T CB -0.220 68.666 68.868 0.030 0.000 0.887 128 T HN 0.351 nan 8.240 nan 0.000 0.386 129 K N 1.367 121.843 120.400 0.127 0.000 2.281 129 K HA -0.092 4.232 4.320 0.007 0.000 0.203 129 K C 2.537 179.297 176.600 0.266 0.000 1.046 129 K CA 1.469 57.907 56.287 0.251 0.000 0.938 129 K CB -1.333 31.367 32.500 0.332 0.000 0.737 129 K HN 0.767 nan 8.250 nan 0.000 0.458 130 T N -0.308 114.322 114.554 0.126 0.000 2.580 130 T HA -0.196 4.158 4.350 0.007 0.000 0.265 130 T C 2.085 176.669 174.700 -0.193 0.000 1.063 130 T CA 2.355 64.452 62.100 -0.005 0.000 1.170 130 T CB -1.161 67.691 68.868 -0.025 0.000 0.863 130 T HN 0.068 nan 8.240 nan 0.000 0.418 131 V N 1.229 120.966 119.914 -0.295 0.000 2.490 131 V HA 0.132 4.256 4.120 0.007 0.000 0.250 131 V C 2.614 178.406 176.094 -0.503 0.000 1.061 131 V CA 1.568 63.325 62.300 -0.904 0.000 1.064 131 V CB -1.990 29.053 31.823 -1.300 0.000 0.670 131 V HN 0.621 nan 8.190 nan 0.000 0.461 132 G N 1.434 110.178 108.800 -0.093 0.000 2.839 132 G HA2 -0.398 3.566 3.960 0.007 0.000 0.221 132 G HA3 -0.398 3.566 3.960 0.007 0.000 0.221 132 G C 1.424 176.483 174.900 0.265 0.000 1.271 132 G CA 2.273 47.479 45.100 0.177 0.000 0.789 132 G HN 0.895 nan 8.290 nan 0.000 0.659 133 Y N -1.052 119.311 120.300 0.105 0.000 2.286 133 Y HA 0.260 4.814 4.550 0.007 0.000 0.293 133 Y C 2.635 178.585 175.900 0.083 0.000 1.124 133 Y CA 0.846 59.007 58.100 0.102 0.000 1.178 133 Y CB -0.652 37.864 38.460 0.093 0.000 1.010 133 Y HN 0.071 nan 8.280 nan 0.000 0.536 134 M N 0.658 120.137 119.600 -0.202 0.000 2.539 134 M HA -0.134 4.350 4.480 0.007 0.000 0.261 134 M C 0.809 177.177 176.300 0.113 0.000 1.069 134 M CA 1.406 56.639 55.300 -0.112 0.000 1.081 134 M CB -1.369 31.158 32.600 -0.122 0.000 1.412 134 M HN 0.614 nan 8.290 nan 0.000 0.482 135 H N -1.720 117.232 119.070 -0.198 0.000 2.705 135 H HA 0.303 4.863 4.556 0.007 0.000 0.269 135 H C 1.831 176.767 175.328 -0.652 0.000 0.998 135 H CA 0.300 56.134 56.048 -0.357 0.000 1.193 135 H CB 0.641 30.241 29.762 -0.270 0.000 1.485 135 H HN 0.345 nan 8.280 nan 0.000 0.521 136 A N 1.073 123.819 122.820 -0.123 0.000 1.969 136 A HA -0.097 4.227 4.320 0.007 0.000 0.218 136 A C 2.414 179.931 177.584 -0.111 0.000 1.169 136 A CA 0.938 53.034 52.037 0.098 0.000 0.635 136 A CB -0.639 18.529 19.000 0.280 0.000 0.810 136 A HN 0.154 nan 8.150 nan 0.000 0.445 137 V N -0.046 119.749 119.914 -0.199 0.000 2.343 137 V HA -0.225 3.899 4.120 0.007 0.000 0.247 137 V C 2.179 178.000 176.094 -0.455 0.000 1.051 137 V CA 1.775 63.865 62.300 -0.349 0.000 1.036 137 V CB -0.621 31.023 31.823 -0.298 0.000 0.654 137 V HN 0.637 nan 8.190 nan 0.000 0.451 138 I N -0.619 119.649 120.570 -0.504 0.000 3.454 138 I HA -0.133 4.041 4.170 0.007 0.000 0.297 138 I C 1.446 177.323 176.117 -0.401 0.000 1.298 138 I CA 0.728 61.740 61.300 -0.479 0.000 1.297 138 I CB -0.125 37.533 38.000 -0.570 0.000 1.017 138 I HN 0.217 nan 8.210 nan 0.000 0.528 139 F N -0.181 119.724 119.950 -0.075 0.000 2.622 139 F HA 0.254 4.785 4.527 0.007 0.000 0.288 139 F C 2.361 178.136 175.800 -0.041 0.000 1.120 139 F CA 0.423 58.404 58.000 -0.031 0.000 1.423 139 F CB -0.810 38.185 39.000 -0.009 0.000 1.127 139 F HN 0.026 nan 8.300 nan 0.000 0.588 140 A N -0.237 122.576 122.820 -0.011 0.000 2.066 140 A HA 0.002 4.326 4.320 0.007 0.000 0.218 140 A C 2.285 179.944 177.584 0.125 0.000 1.157 140 A CA 1.307 53.329 52.037 -0.025 0.000 0.670 140 A CB -0.931 17.729 19.000 -0.567 0.000 0.804 140 A HN 0.141 nan 8.150 nan 0.000 0.453 141 V N 0.479 120.416 119.914 0.038 0.000 2.244 141 V HA -0.135 3.989 4.120 0.007 0.000 0.244 141 V C -0.094 176.100 176.094 0.167 0.000 1.042 141 V CA 2.454 64.815 62.300 0.103 0.000 1.006 141 V CB -1.307 30.518 31.823 0.003 0.000 0.641 141 V HN 0.323 nan 8.190 nan 0.000 0.446 142 P HA -0.299 nan 4.420 nan 0.000 0.219 142 P C 1.664 179.038 177.300 0.123 0.000 1.158 142 P CA 2.551 65.693 63.100 0.069 0.000 0.895 142 P CB -0.215 31.529 31.700 0.073 0.000 0.792 143 A N -1.034 121.881 122.820 0.158 0.000 1.849 143 A HA -0.293 4.031 4.320 0.007 0.000 0.217 143 A C 2.313 180.034 177.584 0.228 0.000 1.202 143 A CA 2.274 54.409 52.037 0.163 0.000 0.629 143 A CB -2.104 17.000 19.000 0.175 0.000 0.834 143 A HN 0.228 nan 8.150 nan 0.000 0.447 144 Y N 0.314 120.699 120.300 0.141 0.000 2.069 144 Y HA -0.243 4.311 4.550 0.007 0.000 0.278 144 Y C 1.994 178.026 175.900 0.219 0.000 1.175 144 Y CA 1.733 59.946 58.100 0.188 0.000 1.134 144 Y CB -0.730 37.831 38.460 0.169 0.000 0.965 144 Y HN 0.191 nan 8.280 nan 0.000 0.498 145 L N 0.580 122.203 121.223 0.666 0.000 2.211 145 L HA -0.260 4.084 4.340 0.007 0.000 0.216 145 L C 2.510 179.426 176.870 0.078 0.000 1.092 145 L CA 1.860 56.911 54.840 0.352 0.000 0.767 145 L CB -1.384 40.685 42.059 0.017 0.000 0.894 145 L HN 0.563 nan 8.230 nan 0.000 0.437 146 L N -0.970 120.301 121.223 0.079 0.000 2.023 146 L HA -0.223 4.121 4.340 0.007 0.000 0.205 146 L C 2.597 179.466 176.870 -0.002 0.000 1.073 146 L CA 1.787 56.635 54.840 0.014 0.000 0.745 146 L CB -1.085 41.000 42.059 0.044 0.000 0.900 146 L HN 0.275 nan 8.230 nan 0.000 0.435 147 F N 1.546 121.422 119.950 -0.124 0.000 2.032 147 F HA -0.401 4.130 4.527 0.007 0.000 0.297 147 F C 2.769 178.466 175.800 -0.171 0.000 1.125 147 F CA 2.706 60.597 58.000 -0.183 0.000 1.202 147 F CB -0.745 38.043 39.000 -0.354 0.000 0.958 147 F HN 0.336 nan 8.300 nan 0.000 0.491 148 Q N 0.796 120.287 119.800 -0.515 0.000 2.065 148 Q HA -0.350 3.994 4.340 0.007 0.000 0.213 148 Q C 2.281 178.149 176.000 -0.221 0.000 1.012 148 Q CA 2.478 58.045 55.803 -0.393 0.000 0.876 148 Q CB -0.785 28.018 28.738 0.110 0.000 0.954 148 Q HN 0.651 nan 8.270 nan 0.000 0.413 149 A N 0.872 123.597 122.820 -0.158 0.000 1.862 149 A HA -0.286 4.038 4.320 0.007 0.000 0.217 149 A C 2.067 179.617 177.584 -0.056 0.000 1.251 149 A CA 2.095 54.082 52.037 -0.084 0.000 0.673 149 A CB -1.467 17.475 19.000 -0.096 0.000 0.843 149 A HN 0.623 nan 8.150 nan 0.000 0.458 150 L N -0.655 120.510 121.223 -0.096 0.000 1.990 150 L HA -0.160 4.185 4.340 0.007 0.000 0.213 150 L C 2.163 178.947 176.870 -0.145 0.000 1.072 150 L CA 3.057 57.847 54.840 -0.083 0.000 0.755 150 L CB -0.662 41.372 42.059 -0.041 0.000 0.889 150 L HN 0.561 nan 8.230 nan 0.000 0.432 151 R N -0.528 119.770 120.500 -0.337 0.000 1.769 151 R HA 0.127 4.471 4.340 0.007 0.000 0.141 151 R C 2.320 178.441 176.300 -0.299 0.000 1.855 151 R CA 1.478 57.364 56.100 -0.356 0.000 1.662 151 R CB -1.195 28.776 30.300 -0.548 0.000 1.064 151 R HN 0.424 nan 8.270 nan 0.000 0.499 152 S N -0.724 114.711 115.700 -0.441 0.000 2.469 152 S HA -0.313 4.161 4.470 0.007 0.000 0.309 152 S C 1.892 176.489 174.600 -0.004 0.000 1.209 152 S CA 2.295 60.412 58.200 -0.138 0.000 1.281 152 S CB -0.804 62.352 63.200 -0.073 0.000 1.265 152 S HN 0.388 nan 8.310 nan 0.000 0.452 153 F N 0.789 120.645 119.950 -0.155 0.000 2.074 153 F HA 0.083 4.615 4.527 0.007 0.000 0.290 153 F C 3.004 178.753 175.800 -0.084 0.000 1.118 153 F CA 1.834 59.784 58.000 -0.083 0.000 1.199 153 F CB -1.287 37.680 39.000 -0.055 0.000 1.012 153 F HN 0.246 nan 8.300 nan 0.000 0.472 154 T N -0.975 113.632 114.554 0.089 0.000 2.612 154 T HA -0.111 4.243 4.350 0.007 0.000 0.259 154 T C -0.477 174.195 174.700 -0.046 0.000 1.065 154 T CA 1.429 63.538 62.100 0.015 0.000 1.167 154 T CB -0.558 68.311 68.868 0.002 0.000 0.863 154 T HN 0.260 nan 8.240 nan 0.000 0.407 155 D N -0.003 120.352 120.400 -0.074 0.000 3.515 155 D HA 0.026 4.670 4.640 0.007 0.000 0.247 155 D C 0.870 177.129 176.300 -0.068 0.000 1.084 155 D CA 0.452 54.400 54.000 -0.087 0.000 1.030 155 D CB -1.418 39.330 40.800 -0.087 0.000 0.946 155 D HN 0.550 nan 8.370 nan 0.000 0.420 156 G N 1.104 109.877 108.800 -0.045 0.000 4.297 156 G HA2 -0.491 3.473 3.960 0.007 0.000 0.359 156 G HA3 -0.491 3.473 3.960 0.007 0.000 0.359 156 G C 1.171 176.057 174.900 -0.024 0.000 1.454 156 G CA 1.409 46.501 45.100 -0.013 0.000 1.272 156 G HN 0.499 nan 8.290 nan 0.000 0.797 157 M N 0.064 119.625 119.600 -0.065 0.000 2.738 157 M HA 0.318 4.802 4.480 0.007 0.000 0.256 157 M C 0.895 177.084 176.300 -0.185 0.000 1.253 157 M CA 1.702 56.928 55.300 -0.123 0.000 1.223 157 M CB 0.469 32.939 32.600 -0.216 0.000 1.263 157 M HN 1.142 nan 8.290 nan 0.000 0.521 158 S N 1.043 116.633 115.700 -0.184 0.000 3.033 158 S HA 0.260 4.735 4.470 0.007 0.000 0.138 158 S C -1.191 173.324 174.600 -0.142 0.000 0.720 158 S CA -0.831 57.274 58.200 -0.159 0.000 0.812 158 S CB -0.660 62.425 63.200 -0.191 0.000 1.509 158 S HN 0.256 nan 8.310 nan 0.000 0.561 159 L N 2.160 123.319 121.223 -0.106 0.000 2.433 159 L HA 0.658 5.002 4.340 0.007 0.000 0.256 159 L C 0.396 177.234 176.870 -0.054 0.000 1.063 159 L CA 0.102 54.893 54.840 -0.081 0.000 0.922 159 L CB 0.998 43.010 42.059 -0.079 0.000 1.238 159 L HN 0.730 nan 8.230 nan 0.000 0.466 160 T N 2.103 116.622 114.554 -0.058 0.000 3.467 160 T HA 0.074 4.428 4.350 0.007 0.000 0.232 160 T C 1.370 176.086 174.700 0.026 0.000 0.876 160 T CA 0.266 62.343 62.100 -0.039 0.000 0.939 160 T CB -0.407 68.393 68.868 -0.114 0.000 1.165 160 T HN 0.716 nan 8.240 nan 0.000 0.615 161 K N 1.341 121.802 120.400 0.101 0.000 2.097 161 K HA 0.027 4.351 4.320 0.007 0.000 0.205 161 K C -1.052 175.678 176.600 0.218 0.000 1.050 161 K CA 0.814 57.211 56.287 0.184 0.000 0.938 161 K CB -0.392 32.286 32.500 0.297 0.000 0.718 161 K HN 0.300 nan 8.250 nan 0.000 0.442 162 P HA -0.168 nan 4.420 nan 0.000 0.229 162 P C 0.072 177.474 177.300 0.170 0.000 1.147 162 P CA 0.952 64.190 63.100 0.231 0.000 0.766 162 P CB 0.005 31.891 31.700 0.310 0.000 0.775 163 A N 0.601 123.487 122.820 0.109 0.000 1.824 163 A HA -0.154 4.170 4.320 0.007 0.000 0.215 163 A C 1.915 179.513 177.584 0.024 0.000 1.244 163 A CA 1.829 53.906 52.037 0.067 0.000 0.604 163 A CB -1.348 17.651 19.000 -0.002 0.000 0.900 163 A HN 0.051 nan 8.150 nan 0.000 0.455 164 M N 0.214 119.806 119.600 -0.014 0.000 2.435 164 M HA -0.040 4.444 4.480 0.007 0.000 0.262 164 M C 1.830 178.173 176.300 0.073 0.000 1.065 164 M CA 1.203 56.479 55.300 -0.040 0.000 1.076 164 M CB -2.178 30.462 32.600 0.066 0.000 1.403 164 M HN 0.244 nan 8.290 nan 0.000 0.454 165 V N 1.855 121.793 119.914 0.039 0.000 2.270 165 V HA -0.181 3.943 4.120 0.007 0.000 0.218 165 V C 2.263 178.363 176.094 0.011 0.000 0.997 165 V CA 1.682 63.961 62.300 -0.036 0.000 1.019 165 V CB -0.430 31.253 31.823 -0.233 0.000 0.657 165 V HN 0.475 nan 8.190 nan 0.000 0.470 166 I N 0.654 121.240 120.570 0.027 0.000 2.908 166 I HA -0.122 4.052 4.170 0.007 0.000 0.271 166 I C 1.764 177.920 176.117 0.066 0.000 1.275 166 I CA 1.645 62.985 61.300 0.066 0.000 1.446 166 I CB -1.344 36.777 38.000 0.201 0.000 1.092 166 I HN 0.547 nan 8.210 nan 0.000 0.482 167 G N 0.453 109.285 108.800 0.053 0.000 2.654 167 G HA2 -0.200 3.764 3.960 0.007 0.000 0.215 167 G HA3 -0.200 3.764 3.960 0.007 0.000 0.215 167 G C 1.278 176.188 174.900 0.017 0.000 1.310 167 G CA 0.317 45.413 45.100 -0.007 0.000 0.866 167 G HN 0.262 nan 8.290 nan 0.000 0.558 168 F N 1.240 121.196 119.950 0.010 0.000 2.085 168 F HA -0.153 4.378 4.527 0.007 0.000 0.299 168 F C 2.794 178.591 175.800 -0.004 0.000 1.096 168 F CA 0.826 58.827 58.000 0.001 0.000 1.227 168 F CB -0.392 38.606 39.000 -0.002 0.000 0.983 168 F HN 0.004 nan 8.300 nan 0.000 0.482 169 I N -0.167 120.525 120.570 0.205 0.000 2.163 169 I HA -0.255 3.919 4.170 0.007 0.000 0.243 169 I C 2.706 178.872 176.117 0.082 0.000 1.085 169 I CA 1.541 62.899 61.300 0.097 0.000 1.347 169 I CB -2.124 35.893 38.000 0.028 0.000 1.044 169 I HN 0.197 nan 8.210 nan 0.000 0.408 170 G N 2.510 111.349 108.800 0.065 0.000 2.838 170 G HA2 -0.323 3.641 3.960 0.007 0.000 0.215 170 G HA3 -0.323 3.641 3.960 0.007 0.000 0.215 170 G C 1.744 176.671 174.900 0.045 0.000 1.327 170 G CA 1.547 46.672 45.100 0.042 0.000 0.802 170 G HN 0.529 nan 8.290 nan 0.000 0.658 171 L N -0.683 120.561 121.223 0.035 0.000 2.034 171 L HA -0.128 4.217 4.340 0.007 0.000 0.217 171 L C 2.585 179.485 176.870 0.050 0.000 1.077 171 L CA 1.760 56.614 54.840 0.022 0.000 0.769 171 L CB -0.647 41.418 42.059 0.009 0.000 0.890 171 L HN 0.250 nan 8.230 nan 0.000 0.435 172 L N 0.634 121.906 121.223 0.081 0.000 1.933 172 L HA -0.251 4.093 4.340 0.007 0.000 0.220 172 L C 2.678 179.595 176.870 0.077 0.000 1.078 172 L CA 2.453 57.340 54.840 0.079 0.000 0.773 172 L CB -1.058 41.052 42.059 0.085 0.000 0.890 172 L HN 0.455 nan 8.230 nan 0.000 0.434 173 L N -0.278 120.998 121.223 0.089 0.000 2.349 173 L HA -0.236 4.108 4.340 0.007 0.000 0.220 173 L C 2.229 179.161 176.870 0.104 0.000 1.130 173 L CA 0.709 55.618 54.840 0.115 0.000 0.791 173 L CB -0.604 41.552 42.059 0.162 0.000 0.918 173 L HN 0.488 nan 8.230 nan 0.000 0.444 174 N N 0.459 119.206 118.700 0.078 0.000 2.028 174 N HA -0.192 4.552 4.740 0.007 0.000 0.194 174 N C 1.846 177.408 175.510 0.086 0.000 1.050 174 N CA 1.399 54.486 53.050 0.062 0.000 0.848 174 N CB -0.109 38.399 38.487 0.034 0.000 1.038 174 N HN 0.198 nan 8.380 nan 0.000 0.423 175 I N 1.834 122.456 120.570 0.087 0.000 2.077 175 I HA -0.296 3.878 4.170 0.007 0.000 0.231 175 I C -0.770 175.452 176.117 0.176 0.000 1.011 175 I CA 1.536 62.907 61.300 0.118 0.000 1.304 175 I CB -1.978 36.077 38.000 0.091 0.000 1.019 175 I HN 0.176 nan 8.210 nan 0.000 0.388 176 P HA -0.216 nan 4.420 nan 0.000 0.218 176 P C 1.805 179.267 177.300 0.271 0.000 1.154 176 P CA 1.914 65.121 63.100 0.179 0.000 0.872 176 P CB -0.232 31.528 31.700 0.101 0.000 0.790 177 L N -0.797 120.546 121.223 0.199 0.000 2.217 177 L HA -0.036 4.309 4.340 0.007 0.000 0.211 177 L C 2.261 179.273 176.870 0.235 0.000 1.107 177 L CA 1.497 56.450 54.840 0.189 0.000 0.783 177 L CB -1.666 40.420 42.059 0.044 0.000 0.919 177 L HN 0.072 nan 8.230 nan 0.000 0.442 178 N N -1.044 117.781 118.700 0.208 0.000 2.173 178 N HA -0.194 4.550 4.740 0.007 0.000 0.184 178 N C 1.615 177.276 175.510 0.253 0.000 1.025 178 N CA 0.904 54.070 53.050 0.192 0.000 0.852 178 N CB -0.230 38.337 38.487 0.133 0.000 0.998 178 N HN 0.352 nan 8.380 nan 0.000 0.427 179 W N 2.973 124.346 121.300 0.121 0.000 2.285 179 W HA -0.240 4.425 4.660 0.007 0.000 0.333 179 W C 2.175 178.774 176.519 0.134 0.000 1.290 179 W CA 1.495 58.913 57.345 0.122 0.000 1.234 179 W CB -0.778 28.739 29.460 0.095 0.000 1.154 179 W HN -0.030 nan 8.180 nan 0.000 0.463 180 I N 0.191 121.015 120.570 0.422 0.000 2.068 180 I HA -0.360 3.814 4.170 0.007 0.000 0.238 180 I C 2.379 178.446 176.117 -0.083 0.000 1.046 180 I CA 2.302 63.665 61.300 0.106 0.000 1.306 180 I CB -1.417 36.867 38.000 0.473 0.000 1.023 180 I HN 0.064 nan 8.210 nan 0.000 0.399 181 F N 0.599 120.544 119.950 -0.008 0.000 2.113 181 F HA -0.149 4.382 4.527 0.007 0.000 0.297 181 F C 2.532 178.304 175.800 -0.046 0.000 1.103 181 F CA 1.439 59.424 58.000 -0.025 0.000 1.248 181 F CB -1.076 37.925 39.000 0.002 0.000 0.999 181 F HN -0.091 nan 8.300 nan 0.000 0.475 182 V N -1.942 118.054 119.914 0.137 0.000 2.594 182 V HA -0.252 3.872 4.120 0.007 0.000 0.253 182 V C 1.237 177.326 176.094 -0.007 0.000 1.069 182 V CA 1.854 64.179 62.300 0.041 0.000 1.082 182 V CB -0.666 31.168 31.823 0.017 0.000 0.680 182 V HN 0.467 nan 8.190 nan 0.000 0.469 183 Y N -1.036 119.087 120.300 -0.295 0.000 2.531 183 Y HA 0.343 4.897 4.550 0.007 0.000 0.096 183 Y C 2.084 177.537 175.900 -0.745 0.000 0.947 183 Y CA 0.030 57.849 58.100 -0.468 0.000 1.822 183 Y CB 0.194 38.339 38.460 -0.524 0.000 1.139 183 Y HN 0.090 nan 8.280 nan 0.000 0.205 184 G N 4.135 112.134 108.800 -1.335 0.000 2.445 184 G HA2 -0.430 3.534 3.960 0.007 0.000 0.356 184 G HA3 -0.430 3.534 3.960 0.007 0.000 0.356 184 G C 1.049 175.223 174.900 -1.212 0.000 0.788 184 G CA 1.505 45.231 45.100 -2.291 0.000 0.728 184 G HN 0.448 nan 8.290 nan 0.000 0.512 185 K N -0.272 119.680 120.400 -0.747 0.000 3.169 185 K HA -0.353 3.971 4.320 0.007 0.000 0.200 185 K C 1.108 177.610 176.600 -0.163 0.000 0.740 185 K CA 2.146 58.192 56.287 -0.402 0.000 0.792 185 K CB -1.653 30.637 32.500 -0.349 0.000 0.704 185 K HN 0.857 nan 8.250 nan 0.000 0.814 186 F N 1.082 120.978 119.950 -0.090 0.000 2.246 186 F HA -0.326 4.205 4.527 0.007 0.000 0.134 186 F C 1.649 177.425 175.800 -0.041 0.000 1.059 186 F CA 0.533 58.542 58.000 0.015 0.000 0.750 186 F CB -1.473 37.649 39.000 0.204 0.000 0.614 186 F HN 0.726 nan 8.300 nan 0.000 0.798 187 G N 0.508 109.349 108.800 0.068 0.000 3.031 187 G HA2 0.205 4.169 3.960 0.007 0.000 0.198 187 G HA3 0.205 4.169 3.960 0.007 0.000 0.198 187 G C -0.207 174.589 174.900 -0.173 0.000 1.242 187 G CA -0.323 44.740 45.100 -0.063 0.000 0.878 187 G HN 1.745 nan 8.290 nan 0.000 0.493 188 A N 0.200 122.845 122.820 -0.291 0.000 1.668 188 A HA 0.585 4.910 4.320 0.007 0.000 0.256 188 A C -3.321 174.040 177.584 -0.371 0.000 0.976 188 A CA 0.196 52.056 52.037 -0.295 0.000 0.862 188 A CB 0.810 19.640 19.000 -0.283 0.000 0.979 188 A HN 0.654 nan 8.150 nan 0.000 0.330 189 P HA 0.530 nan 4.420 nan 0.000 0.287 189 P C -0.894 176.339 177.300 -0.111 0.000 1.281 189 P CA 0.429 63.399 63.100 -0.217 0.000 0.781 189 P CB 1.409 32.974 31.700 -0.224 0.000 0.903 190 E N 2.427 122.591 120.200 -0.059 0.000 2.317 190 E HA 0.342 4.696 4.350 0.007 0.000 0.270 190 E C 0.117 176.725 176.600 0.013 0.000 0.885 190 E CA -1.352 55.048 56.400 0.001 0.000 0.760 190 E CB 1.015 30.743 29.700 0.046 0.000 1.227 190 E HN 0.235 nan 8.360 nan 0.000 0.434 191 L N 1.441 122.671 121.223 0.012 0.000 2.586 191 L HA -0.086 4.258 4.340 0.007 0.000 0.307 191 L C 2.001 178.856 176.870 -0.026 0.000 1.274 191 L CA 1.572 56.406 54.840 -0.010 0.000 0.857 191 L CB -0.154 41.904 42.059 -0.001 0.000 1.099 191 L HN 0.922 nan 8.230 nan 0.000 0.525 192 G N 1.845 110.604 108.800 -0.069 0.000 2.631 192 G HA2 -0.292 3.672 3.960 0.007 0.000 0.219 192 G HA3 -0.292 3.672 3.960 0.007 0.000 0.219 192 G C 1.330 176.218 174.900 -0.019 0.000 1.214 192 G CA 0.891 45.947 45.100 -0.073 0.000 0.785 192 G HN 0.941 nan 8.290 nan 0.000 0.596 193 G N -0.419 108.377 108.800 -0.007 0.000 2.498 193 G HA2 0.014 3.978 3.960 0.007 0.000 0.219 193 G HA3 0.014 3.978 3.960 0.007 0.000 0.219 193 G C 1.608 176.516 174.900 0.013 0.000 1.119 193 G CA 1.032 46.139 45.100 0.011 0.000 0.766 193 G HN 0.395 nan 8.290 nan 0.000 0.552 194 V N 0.842 120.763 119.914 0.013 0.000 2.719 194 V HA 0.048 4.173 4.120 0.007 0.000 0.252 194 V C 2.861 178.978 176.094 0.038 0.000 1.065 194 V CA 1.697 64.007 62.300 0.017 0.000 1.086 194 V CB -0.236 31.610 31.823 0.039 0.000 0.700 194 V HN 0.406 nan 8.190 nan 0.000 0.467 195 G N -0.654 108.176 108.800 0.050 0.000 2.603 195 G HA2 -0.192 3.772 3.960 0.007 0.000 0.214 195 G HA3 -0.192 3.772 3.960 0.007 0.000 0.214 195 G C 1.793 176.723 174.900 0.051 0.000 1.140 195 G CA 0.836 45.984 45.100 0.080 0.000 0.800 195 G HN 0.637 nan 8.290 nan 0.000 0.533 196 C N 0.783 120.110 119.300 0.045 0.000 2.453 196 C HA 0.204 4.668 4.460 0.007 0.000 0.277 196 C C 2.995 178.021 174.990 0.059 0.000 1.262 196 C CA 1.285 60.334 59.018 0.053 0.000 1.718 196 C CB -1.000 26.782 27.740 0.070 0.000 2.031 196 C HN 0.332 nan 8.230 nan 0.000 0.480 197 G N 0.567 109.412 108.800 0.076 0.000 2.586 197 G HA2 -0.222 3.742 3.960 0.007 0.000 0.218 197 G HA3 -0.222 3.742 3.960 0.007 0.000 0.218 197 G C 1.744 176.636 174.900 -0.014 0.000 1.216 197 G CA 1.457 46.617 45.100 0.099 0.000 0.786 197 G HN 0.551 nan 8.290 nan 0.000 0.583 198 V N 1.479 121.359 119.914 -0.056 0.000 2.913 198 V HA 0.032 4.156 4.120 0.007 0.000 0.260 198 V C 3.169 179.183 176.094 -0.134 0.000 1.098 198 V CA 1.614 63.824 62.300 -0.149 0.000 1.121 198 V CB -0.527 31.163 31.823 -0.221 0.000 0.714 198 V HN 0.530 nan 8.190 nan 0.000 0.487 199 A N -0.203 122.587 122.820 -0.050 0.000 1.884 199 A HA -0.291 4.033 4.320 0.007 0.000 0.219 199 A C 2.375 179.931 177.584 -0.047 0.000 1.197 199 A CA 2.944 54.966 52.037 -0.026 0.000 0.637 199 A CB -1.091 17.910 19.000 0.003 0.000 0.827 199 A HN 0.507 nan 8.150 nan 0.000 0.450 200 T N -0.104 114.408 114.554 -0.070 0.000 2.857 200 T HA 0.154 4.508 4.350 0.007 0.000 0.266 200 T C 2.210 176.876 174.700 -0.057 0.000 1.048 200 T CA 1.219 63.265 62.100 -0.090 0.000 1.139 200 T CB -0.459 68.290 68.868 -0.199 0.000 0.874 200 T HN 0.637 nan 8.240 nan 0.000 0.455 201 A N 2.253 125.022 122.820 -0.084 0.000 1.884 201 A HA -0.135 4.189 4.320 0.007 0.000 0.219 201 A C 2.154 179.807 177.584 0.114 0.000 1.197 201 A CA 1.488 53.505 52.037 -0.032 0.000 0.637 201 A CB -0.767 18.169 19.000 -0.107 0.000 0.827 201 A HN 0.411 nan 8.150 nan 0.000 0.450 202 I N -0.082 120.483 120.570 -0.009 0.000 2.493 202 I HA -0.134 4.040 4.170 0.007 0.000 0.254 202 I C 2.435 178.660 176.117 0.180 0.000 1.160 202 I CA 0.850 62.182 61.300 0.053 0.000 1.445 202 I CB -1.360 36.583 38.000 -0.096 0.000 1.086 202 I HN 0.125 nan 8.210 nan 0.000 0.433 203 V N 1.133 121.111 119.914 0.105 0.000 2.453 203 V HA -0.300 3.824 4.120 0.007 0.000 0.252 203 V C 2.402 178.576 176.094 0.133 0.000 1.068 203 V CA 2.135 64.486 62.300 0.086 0.000 1.070 203 V CB -1.012 30.817 31.823 0.010 0.000 0.664 203 V HN 0.569 nan 8.190 nan 0.000 0.461 204 Y N -1.627 118.681 120.300 0.014 0.000 2.511 204 Y HA -0.004 4.550 4.550 0.007 0.000 0.279 204 Y C 1.812 177.778 175.900 0.111 0.000 1.157 204 Y CA -0.216 57.903 58.100 0.031 0.000 1.300 204 Y CB -0.499 37.972 38.460 0.017 0.000 1.052 204 Y HN 0.325 nan 8.280 nan 0.000 0.529 205 W N 2.673 123.876 121.300 -0.162 0.000 2.309 205 W HA -0.250 4.415 4.660 0.007 0.000 0.326 205 W C 2.415 178.811 176.519 -0.205 0.000 1.222 205 W CA 3.472 60.659 57.345 -0.263 0.000 1.237 205 W CB -1.048 28.341 29.460 -0.118 0.000 1.180 205 W HN 0.250 nan 8.180 nan 0.000 0.456 206 I N -0.548 119.970 120.570 -0.085 0.000 2.113 206 I HA -0.411 3.764 4.170 0.007 0.000 0.242 206 I C 2.402 178.428 176.117 -0.152 0.000 1.064 206 I CA 2.577 63.724 61.300 -0.254 0.000 1.320 206 I CB -1.134 36.810 38.000 -0.093 0.000 1.028 206 I HN 0.174 nan 8.210 nan 0.000 0.406 207 M N 1.151 120.743 119.600 -0.014 0.000 2.151 207 M HA -0.262 4.222 4.480 0.007 0.000 0.256 207 M C 2.526 178.901 176.300 0.124 0.000 1.072 207 M CA 2.738 58.139 55.300 0.168 0.000 1.090 207 M CB -0.772 31.879 32.600 0.085 0.000 1.294 207 M HN 0.532 nan 8.290 nan 0.000 0.415 208 L N 0.321 121.496 121.223 -0.080 0.000 2.043 208 L HA -0.227 4.117 4.340 0.007 0.000 0.212 208 L C 2.380 179.096 176.870 -0.257 0.000 1.075 208 L CA 1.303 56.030 54.840 -0.189 0.000 0.752 208 L CB -0.434 41.426 42.059 -0.331 0.000 0.891 208 L HN 0.392 nan 8.230 nan 0.000 0.432 209 L N 0.200 121.242 121.223 -0.302 0.000 1.943 209 L HA -0.231 4.113 4.340 0.007 0.000 0.215 209 L C 2.614 179.344 176.870 -0.234 0.000 1.074 209 L CA 2.071 56.726 54.840 -0.309 0.000 0.759 209 L CB -1.131 40.627 42.059 -0.502 0.000 0.888 209 L HN 0.353 nan 8.230 nan 0.000 0.433 210 L N 0.227 121.299 121.223 -0.252 0.000 2.137 210 L HA -0.236 4.108 4.340 0.007 0.000 0.213 210 L C 2.648 179.249 176.870 -0.448 0.000 1.085 210 L CA 1.465 56.178 54.840 -0.212 0.000 0.760 210 L CB -2.089 39.901 42.059 -0.115 0.000 0.893 210 L HN 0.448 nan 8.230 nan 0.000 0.434 211 L N 0.164 120.861 121.223 -0.877 0.000 1.882 211 L HA -0.182 4.162 4.340 0.007 0.000 0.222 211 L C 2.433 178.888 176.870 -0.691 0.000 1.095 211 L CA 1.520 55.292 54.840 -1.781 0.000 0.794 211 L CB -1.388 40.034 42.059 -1.062 0.000 0.886 211 L HN 0.109 nan 8.230 nan 0.000 0.429 212 L N -0.920 120.107 121.223 -0.327 0.000 2.040 212 L HA -0.324 4.020 4.340 0.007 0.000 0.228 212 L C 2.250 179.110 176.870 -0.017 0.000 1.092 212 L CA 2.450 57.227 54.840 -0.106 0.000 0.805 212 L CB -1.101 40.924 42.059 -0.056 0.000 0.905 212 L HN 0.491 nan 8.230 nan 0.000 0.443 213 F N -0.953 118.931 119.950 -0.111 0.000 1.988 213 F HA -0.304 4.227 4.527 0.007 0.000 0.296 213 F C 2.370 178.246 175.800 0.127 0.000 1.178 213 F CA 2.386 60.380 58.000 -0.010 0.000 1.174 213 F CB -1.033 37.947 39.000 -0.033 0.000 0.963 213 F HN 0.070 nan 8.300 nan 0.000 0.489 214 Y N -0.328 120.106 120.300 0.224 0.000 2.538 214 Y HA -0.259 4.296 4.550 0.007 0.000 0.287 214 Y C 2.142 178.147 175.900 0.175 0.000 1.157 214 Y CA 0.638 58.856 58.100 0.197 0.000 1.338 214 Y CB 0.001 38.618 38.460 0.262 0.000 0.970 214 Y HN 0.239 nan 8.280 nan 0.000 0.564 215 I N -1.829 118.921 120.570 0.300 0.000 3.098 215 I HA -0.161 4.014 4.170 0.007 0.000 0.241 215 I C 1.786 177.934 176.117 0.051 0.000 1.081 215 I CA 0.526 61.961 61.300 0.225 0.000 1.487 215 I CB -0.278 37.950 38.000 0.381 0.000 1.366 215 I HN -0.170 nan 8.210 nan 0.000 0.463 216 V N 0.950 120.870 119.914 0.012 0.000 2.594 216 V HA -0.219 3.905 4.120 0.007 0.000 0.253 216 V C 2.401 178.423 176.094 -0.120 0.000 1.069 216 V CA 2.216 64.489 62.300 -0.046 0.000 1.082 216 V CB -1.281 30.508 31.823 -0.057 0.000 0.680 216 V HN 0.492 nan 8.190 nan 0.000 0.469 217 T N -1.318 113.126 114.554 -0.183 0.000 2.809 217 T HA -0.064 4.291 4.350 0.007 0.000 0.260 217 T C 1.113 175.701 174.700 -0.187 0.000 1.039 217 T CA 1.189 63.128 62.100 -0.267 0.000 1.141 217 T CB -0.198 68.394 68.868 -0.459 0.000 0.869 217 T HN 0.483 nan 8.240 nan 0.000 0.437 218 S N 1.342 116.949 115.700 -0.155 0.000 3.310 218 S HA -0.168 4.306 4.470 0.007 0.000 0.381 218 S C 0.829 175.320 174.600 -0.182 0.000 0.908 218 S CA 0.318 58.408 58.200 -0.184 0.000 1.333 218 S CB -0.767 62.317 63.200 -0.193 0.000 0.931 218 S HN 0.593 nan 8.310 nan 0.000 0.570 219 K N 2.347 122.635 120.400 -0.186 0.000 2.640 219 K HA -0.099 4.225 4.320 0.007 0.000 0.193 219 K C 1.361 177.891 176.600 -0.116 0.000 1.036 219 K CA 1.491 57.706 56.287 -0.120 0.000 0.962 219 K CB -0.376 32.082 32.500 -0.069 0.000 0.791 219 K HN 0.828 nan 8.250 nan 0.000 0.491 220 R N -1.616 118.798 120.500 -0.144 0.000 4.494 220 R HA 0.277 4.622 4.340 0.007 0.000 0.124 220 R C 0.651 176.890 176.300 -0.102 0.000 1.588 220 R CA -0.671 55.365 56.100 -0.106 0.000 1.083 220 R CB -0.460 29.774 30.300 -0.110 0.000 1.313 220 R HN -0.015 nan 8.270 nan 0.000 0.426 221 L N 1.157 122.305 121.223 -0.125 0.000 2.615 221 L HA 0.471 4.815 4.340 0.007 0.000 0.155 221 L C 0.725 177.333 176.870 -0.437 0.000 1.194 221 L CA 1.311 56.047 54.840 -0.173 0.000 1.826 221 L CB 0.115 42.121 42.059 -0.088 0.000 2.324 221 L HN 0.797 nan 8.230 nan 0.000 0.520 222 A N -4.131 118.166 122.820 -0.872 0.000 3.565 222 A HA 0.383 4.707 4.320 0.007 0.000 0.253 222 A C -1.414 175.538 177.584 -1.054 0.000 0.988 222 A CA -0.171 51.435 52.037 -0.719 0.000 0.543 222 A CB -0.319 18.362 19.000 -0.532 0.000 1.714 222 A HN 0.946 nan 8.150 nan 0.000 0.847 223 H N -2.389 116.688 119.070 0.012 0.000 2.960 223 H HA -0.080 4.480 4.556 0.007 0.000 0.325 223 H C 0.270 175.631 175.328 0.055 0.000 1.301 223 H CA 0.959 57.030 56.048 0.039 0.000 1.190 223 H CB -2.876 26.909 29.762 0.039 0.000 1.462 223 H HN 2.045 nan 8.280 nan 0.000 0.442 224 V N -1.392 118.545 119.914 0.038 0.000 4.263 224 V HA 0.665 4.789 4.120 0.007 0.000 0.280 224 V C 0.995 177.160 176.094 0.118 0.000 1.327 224 V CA -0.229 62.104 62.300 0.055 0.000 0.863 224 V CB 1.524 33.352 31.823 0.008 0.000 1.289 224 V HN 0.422 nan 8.190 nan 0.000 0.450 225 K N -0.249 120.248 120.400 0.161 0.000 2.106 225 K HA 0.855 5.180 4.320 0.007 0.000 0.246 225 K C -1.321 175.395 176.600 0.194 0.000 0.987 225 K CA -0.769 55.685 56.287 0.279 0.000 0.904 225 K CB 1.874 34.619 32.500 0.408 0.000 1.071 225 K HN 0.677 nan 8.250 nan 0.000 0.453 226 V N 1.465 121.531 119.914 0.253 0.000 2.827 226 V HA 0.129 4.253 4.120 0.007 0.000 0.250 226 V C -1.639 174.635 176.094 0.299 0.000 1.755 226 V CA -0.883 61.542 62.300 0.209 0.000 0.888 226 V CB 0.735 32.650 31.823 0.153 0.000 1.303 226 V HN 0.847 nan 8.190 nan 0.000 0.470 227 F N 3.313 123.302 119.950 0.063 0.000 2.086 227 F HA -0.151 4.380 4.527 0.007 0.000 0.338 227 F C 0.756 176.630 175.800 0.124 0.000 1.105 227 F CA 1.667 59.706 58.000 0.066 0.000 1.151 227 F CB 0.125 39.136 39.000 0.018 0.000 1.729 227 F HN 0.757 nan 8.300 nan 0.000 0.750 228 E N 1.197 121.533 120.200 0.226 0.000 2.396 228 E HA 0.915 5.270 4.350 0.007 0.000 0.251 228 E C -0.167 176.688 176.600 0.425 0.000 0.949 228 E CA -0.424 56.293 56.400 0.529 0.000 0.834 228 E CB 2.702 32.732 29.700 0.550 0.000 1.309 228 E HN 0.365 nan 8.360 nan 0.000 0.405 229 T N -2.283 112.590 114.554 0.531 0.000 2.731 229 T HA 0.417 4.771 4.350 0.007 0.000 0.300 229 T C 0.040 174.917 174.700 0.296 0.000 1.283 229 T CA -0.853 61.461 62.100 0.356 0.000 1.005 229 T CB 0.321 69.433 68.868 0.407 0.000 1.420 229 T HN 0.521 nan 8.240 nan 0.000 0.503 230 F N 0.388 120.345 119.950 0.011 0.000 2.033 230 F HA 0.733 5.264 4.527 0.007 0.000 0.215 230 F C 0.407 176.199 175.800 -0.014 0.000 0.855 230 F CA -0.212 57.781 58.000 -0.012 0.000 1.163 230 F CB -0.698 38.281 39.000 -0.035 0.000 2.041 230 F HN 0.953 nan 8.300 nan 0.000 0.590 231 H N -1.003 117.394 119.070 -1.122 0.000 2.834 231 H HA 0.141 4.701 4.556 0.007 0.000 0.252 231 H C -0.359 174.515 175.328 -0.757 0.000 1.260 231 H CA -0.128 55.309 56.048 -1.018 0.000 1.663 231 H CB 0.761 30.211 29.762 -0.520 0.000 1.835 231 H HN 0.782 nan 8.280 nan 0.000 0.481 232 K N 1.516 121.684 120.400 -0.386 0.000 2.703 232 K HA 0.192 4.516 4.320 0.007 0.000 0.196 232 K C -1.729 174.785 176.600 -0.143 0.000 1.457 232 K CA 0.199 56.345 56.287 -0.235 0.000 1.115 232 K CB 0.146 32.528 32.500 -0.197 0.000 1.661 232 K HN 0.159 nan 8.250 nan 0.000 0.552 233 P HA -0.088 nan 4.420 nan 0.000 0.213 233 P C 1.081 178.311 177.300 -0.116 0.000 1.170 233 P CA 1.170 64.232 63.100 -0.063 0.000 0.889 233 P CB 0.082 31.771 31.700 -0.018 0.000 0.782 234 Q N -0.983 118.708 119.800 -0.182 0.000 2.291 234 Q HA -0.099 4.245 4.340 0.007 0.000 0.206 234 Q C -0.810 174.973 176.000 -0.362 0.000 0.976 234 Q CA 1.523 57.053 55.803 -0.455 0.000 0.875 234 Q CB -1.252 26.767 28.738 -1.198 0.000 0.927 234 Q HN 0.257 nan 8.270 nan 0.000 0.450 235 P HA -0.045 nan 4.420 nan 0.000 0.236 235 P C 0.355 177.531 177.300 -0.207 0.000 1.177 235 P CA 0.924 63.879 63.100 -0.243 0.000 0.773 235 P CB 0.110 31.675 31.700 -0.224 0.000 0.878 236 K N 0.205 120.507 120.400 -0.164 0.000 2.400 236 K HA -0.076 4.249 4.320 0.007 0.000 0.194 236 K C 1.747 178.288 176.600 -0.099 0.000 1.033 236 K CA 0.662 56.879 56.287 -0.116 0.000 1.021 236 K CB 0.214 32.661 32.500 -0.090 0.000 0.808 236 K HN 0.007 nan 8.250 nan 0.000 0.505 237 E N -0.302 119.817 120.200 -0.134 0.000 2.364 237 E HA -0.045 4.309 4.350 0.007 0.000 0.196 237 E C 1.032 177.566 176.600 -0.110 0.000 0.990 237 E CA 0.308 56.636 56.400 -0.121 0.000 0.886 237 E CB 0.231 29.830 29.700 -0.169 0.000 0.866 237 E HN 0.085 nan 8.360 nan 0.000 0.493 238 L N 0.708 121.842 121.223 -0.148 0.000 2.558 238 L HA 0.216 4.560 4.340 0.007 0.000 0.225 238 L C 1.429 178.249 176.870 -0.083 0.000 1.128 238 L CA 0.826 55.586 54.840 -0.134 0.000 0.868 238 L CB 0.191 42.122 42.059 -0.214 0.000 1.006 238 L HN 0.302 nan 8.230 nan 0.000 0.454 239 I N -1.809 118.724 120.570 -0.062 0.000 4.018 239 I HA 0.047 4.221 4.170 0.007 0.000 0.337 239 I C 2.116 178.276 176.117 0.072 0.000 1.327 239 I CA 0.149 61.480 61.300 0.052 0.000 1.100 239 I CB 0.224 38.202 38.000 -0.036 0.000 1.025 239 I HN 0.142 nan 8.210 nan 0.000 0.396 240 R N 0.253 120.768 120.500 0.026 0.000 2.191 240 R HA 0.115 4.459 4.340 0.007 0.000 0.196 240 R C 1.877 178.200 176.300 0.039 0.000 0.991 240 R CA 0.418 56.526 56.100 0.013 0.000 1.075 240 R CB 0.232 30.519 30.300 -0.022 0.000 1.040 240 R HN 0.061 nan 8.270 nan 0.000 0.526 241 L N 0.111 121.358 121.223 0.040 0.000 2.109 241 L HA -0.002 4.342 4.340 0.007 0.000 0.207 241 L C 1.833 178.792 176.870 0.149 0.000 1.086 241 L CA 1.516 56.391 54.840 0.058 0.000 0.760 241 L CB -0.770 41.303 42.059 0.023 0.000 0.910 241 L HN 0.151 nan 8.230 nan 0.000 0.437 242 F N 0.192 120.116 119.950 -0.044 0.000 2.098 242 F HA -0.053 4.478 4.527 0.006 0.000 0.294 242 F C 1.790 177.583 175.800 -0.011 0.000 1.107 242 F CA 0.688 58.672 58.000 -0.028 0.000 1.234 242 F CB -0.191 38.779 39.000 -0.050 0.000 1.002 242 F HN -0.091 nan 8.300 nan 0.000 0.472 243 R N 1.347 121.919 120.500 0.120 0.000 4.556 243 R HA 0.147 4.492 4.340 0.007 0.000 0.197 243 R C 0.412 176.727 176.300 0.026 0.000 1.791 243 R CA 0.367 56.477 56.100 0.016 0.000 1.526 243 R CB -0.691 29.601 30.300 -0.012 0.000 1.410 243 R HN 0.421 nan 8.270 nan 0.000 0.826 244 L N -1.677 119.566 121.223 0.032 0.000 1.326 244 L HA 0.136 4.480 4.340 0.007 0.000 0.115 244 L C 1.169 178.035 176.870 -0.007 0.000 1.379 244 L CA 1.328 56.179 54.840 0.019 0.000 1.199 244 L CB -0.790 41.290 42.059 0.035 0.000 2.485 244 L HN 0.444 nan 8.230 nan 0.000 0.472 245 G N 0.216 109.017 108.800 0.001 0.000 2.448 245 G HA2 -0.280 3.684 3.960 0.007 0.000 0.219 245 G HA3 -0.280 3.684 3.960 0.007 0.000 0.219 245 G C 1.240 176.062 174.900 -0.129 0.000 1.127 245 G CA 1.085 46.156 45.100 -0.048 0.000 0.766 245 G HN 0.422 nan 8.290 nan 0.000 0.552 246 F N 2.337 122.103 119.950 -0.307 0.000 2.039 246 F HA 0.075 4.606 4.527 0.006 0.000 0.294 246 F C -0.288 175.288 175.800 -0.375 0.000 1.130 246 F CA 0.858 58.622 58.000 -0.394 0.000 1.189 246 F CB -0.675 38.081 39.000 -0.406 0.000 0.983 246 F HN 0.050 nan 8.300 nan 0.000 0.471 247 P HA -0.141 nan 4.420 nan 0.000 0.226 247 P C 1.337 178.444 177.300 -0.321 0.000 1.146 247 P CA 1.746 64.646 63.100 -0.334 0.000 0.773 247 P CB -0.196 31.412 31.700 -0.154 0.000 0.772 248 V N -4.130 115.658 119.914 -0.209 0.000 2.635 248 V HA 0.224 4.349 4.120 0.007 0.000 0.233 248 V C 2.131 178.171 176.094 -0.089 0.000 1.097 248 V CA 0.859 63.108 62.300 -0.084 0.000 1.134 248 V CB -1.590 30.220 31.823 -0.022 0.000 0.841 248 V HN -0.011 nan 8.190 nan 0.000 0.496 249 A N 1.526 124.249 122.820 -0.162 0.000 1.859 249 A HA -0.210 4.114 4.320 0.007 0.000 0.218 249 A C 2.544 180.017 177.584 -0.185 0.000 1.242 249 A CA 4.131 56.058 52.037 -0.184 0.000 0.661 249 A CB -1.667 17.182 19.000 -0.252 0.000 0.842 249 A HN 1.371 nan 8.150 nan 0.000 0.455 250 A N -0.637 121.909 122.820 -0.457 0.000 1.912 250 A HA -0.004 4.320 4.320 0.007 0.000 0.217 250 A C 2.559 180.027 177.584 -0.194 0.000 1.309 250 A CA 3.567 55.266 52.037 -0.563 0.000 0.726 250 A CB -1.679 16.597 19.000 -1.207 0.000 0.840 250 A HN 1.916 nan 8.150 nan 0.000 0.473 251 A N -0.836 121.831 122.820 -0.256 0.000 2.807 251 A HA -0.301 4.023 4.320 0.007 0.000 0.224 251 A C 2.069 179.651 177.584 -0.004 0.000 1.191 251 A CA 2.269 54.372 52.037 0.110 0.000 1.069 251 A CB -1.457 17.675 19.000 0.220 0.000 0.647 251 A HN 0.844 nan 8.150 nan 0.000 0.512 252 L N -2.151 119.132 121.223 0.101 0.000 1.997 252 L HA -0.279 4.066 4.340 0.007 0.000 0.227 252 L C 2.693 179.558 176.870 -0.008 0.000 1.087 252 L CA 2.546 57.423 54.840 0.061 0.000 0.797 252 L CB -0.566 41.701 42.059 0.346 0.000 0.902 252 L HN 0.637 nan 8.230 nan 0.000 0.441 253 F N -2.132 117.813 119.950 -0.009 0.000 2.407 253 F HA -0.190 4.341 4.527 0.006 0.000 0.299 253 F C 2.190 178.000 175.800 0.016 0.000 1.097 253 F CA 0.664 58.667 58.000 0.005 0.000 1.422 253 F CB -0.263 38.757 39.000 0.034 0.000 1.067 253 F HN 0.028 nan 8.300 nan 0.000 0.539 254 F N 1.487 121.412 119.950 -0.040 0.000 2.171 254 F HA -0.228 4.303 4.527 0.006 0.000 0.300 254 F C 2.670 178.367 175.800 -0.172 0.000 1.090 254 F CA 1.446 59.364 58.000 -0.135 0.000 1.293 254 F CB -0.205 38.670 39.000 -0.209 0.000 1.013 254 F HN 0.018 nan 8.300 nan 0.000 0.486 255 E N 0.056 120.172 120.200 -0.141 0.000 2.160 255 E HA -0.217 4.137 4.350 0.007 0.000 0.195 255 E C 2.180 178.699 176.600 -0.135 0.000 0.991 255 E CA 1.350 57.598 56.400 -0.253 0.000 0.810 255 E CB -0.442 29.069 29.700 -0.316 0.000 0.742 255 E HN 0.363 nan 8.360 nan 0.000 0.466 256 V N 0.905 120.740 119.914 -0.133 0.000 2.332 256 V HA -0.267 3.857 4.120 0.007 0.000 0.248 256 V C 2.502 178.607 176.094 0.019 0.000 1.055 256 V CA 2.388 64.645 62.300 -0.072 0.000 1.038 256 V CB -0.602 31.137 31.823 -0.140 0.000 0.651 256 V HN 0.479 nan 8.190 nan 0.000 0.450 257 T N -0.545 113.951 114.554 -0.098 0.000 2.668 257 T HA -0.131 4.223 4.350 0.007 0.000 0.262 257 T C 1.757 176.453 174.700 -0.007 0.000 1.045 257 T CA 1.809 63.832 62.100 -0.128 0.000 1.152 257 T CB -0.283 68.438 68.868 -0.245 0.000 0.864 257 T HN 0.417 nan 8.240 nan 0.000 0.419 258 L N 0.186 121.353 121.223 -0.094 0.000 2.263 258 L HA -0.092 4.252 4.340 0.007 0.000 0.216 258 L C 2.232 179.371 176.870 0.449 0.000 1.111 258 L CA 0.994 55.928 54.840 0.156 0.000 0.773 258 L CB -0.522 41.519 42.059 -0.031 0.000 0.906 258 L HN 0.278 nan 8.230 nan 0.000 0.439 259 F N 0.615 120.688 119.950 0.205 0.000 2.149 259 F HA -0.044 4.487 4.527 0.007 0.000 0.294 259 F C 2.477 178.435 175.800 0.263 0.000 1.095 259 F CA 0.875 59.057 58.000 0.304 0.000 1.276 259 F CB -0.584 38.540 39.000 0.207 0.000 1.023 259 F HN -0.018 nan 8.300 nan 0.000 0.480 260 A N -0.309 122.720 122.820 0.348 0.000 1.972 260 A HA -0.083 4.241 4.320 0.007 0.000 0.219 260 A C 2.330 180.051 177.584 0.228 0.000 1.169 260 A CA 1.736 53.947 52.037 0.291 0.000 0.635 260 A CB -1.260 18.006 19.000 0.444 0.000 0.810 260 A HN 0.219 nan 8.150 nan 0.000 0.446 261 V N -0.534 119.511 119.914 0.219 0.000 2.220 261 V HA -0.277 3.847 4.120 0.007 0.000 0.242 261 V C 2.468 178.620 176.094 0.097 0.000 1.041 261 V CA 2.101 64.503 62.300 0.170 0.000 0.990 261 V CB -1.246 30.692 31.823 0.192 0.000 0.634 261 V HN 0.341 nan 8.190 nan 0.000 0.452 262 V N -0.028 119.946 119.914 0.100 0.000 2.222 262 V HA -0.382 3.742 4.120 0.007 0.000 0.252 262 V C 2.661 178.586 176.094 -0.282 0.000 1.060 262 V CA 2.640 64.847 62.300 -0.154 0.000 1.027 262 V CB -1.381 30.388 31.823 -0.091 0.000 0.644 262 V HN 0.660 nan 8.190 nan 0.000 0.448 263 A N -0.445 122.340 122.820 -0.058 0.000 1.891 263 A HA -0.358 3.966 4.320 0.007 0.000 0.221 263 A C 2.157 179.667 177.584 -0.122 0.000 1.394 263 A CA 2.923 54.917 52.037 -0.071 0.000 0.730 263 A CB -1.201 17.803 19.000 0.007 0.000 0.845 263 A HN 0.492 nan 8.150 nan 0.000 0.471 264 L N -1.108 120.089 121.223 -0.042 0.000 2.013 264 L HA -0.181 4.163 4.340 0.007 0.000 0.212 264 L C 2.347 179.173 176.870 -0.074 0.000 1.073 264 L CA 2.007 56.817 54.840 -0.050 0.000 0.753 264 L CB -0.509 41.554 42.059 0.006 0.000 0.890 264 L HN 0.482 nan 8.230 nan 0.000 0.432 265 L N -0.415 120.769 121.223 -0.064 0.000 2.103 265 L HA -0.199 4.146 4.340 0.007 0.000 0.215 265 L C 1.734 178.556 176.870 -0.080 0.000 1.080 265 L CA 2.026 56.850 54.840 -0.026 0.000 0.764 265 L CB -0.759 41.341 42.059 0.069 0.000 0.890 265 L HN 0.315 nan 8.230 nan 0.000 0.435 266 V N -2.185 117.547 119.914 -0.303 0.000 3.043 266 V HA 0.325 4.450 4.120 0.007 0.000 0.357 266 V C 1.766 177.788 176.094 -0.120 0.000 1.372 266 V CA 0.427 62.559 62.300 -0.280 0.000 1.214 266 V CB -0.510 30.827 31.823 -0.810 0.000 1.224 266 V HN 0.321 nan 8.190 nan 0.000 0.507 267 A N 1.482 124.240 122.820 -0.103 0.000 2.169 267 A HA 0.200 4.525 4.320 0.007 0.000 0.212 267 A C -0.502 177.048 177.584 -0.057 0.000 1.153 267 A CA 0.378 52.360 52.037 -0.091 0.000 0.756 267 A CB -0.756 18.180 19.000 -0.107 0.000 0.813 267 A HN 0.582 nan 8.150 nan 0.000 0.471 268 P HA 0.298 nan 4.420 nan 0.000 0.231 268 P C -0.149 177.157 177.300 0.010 0.000 1.811 268 P CA 0.248 63.340 63.100 -0.013 0.000 1.051 268 P CB 0.151 31.852 31.700 0.001 0.000 1.951 269 L N -0.164 121.057 121.223 -0.005 0.000 3.128 269 L HA 0.408 4.752 4.340 0.007 0.000 0.277 269 L C 1.189 178.042 176.870 -0.028 0.000 1.171 269 L CA 0.151 54.992 54.840 0.000 0.000 1.008 269 L CB 0.539 42.623 42.059 0.041 0.000 1.442 269 L HN 0.388 nan 8.230 nan 0.000 0.584 270 G N 0.893 109.672 108.800 -0.036 0.000 2.204 270 G HA2 -0.219 3.745 3.960 0.007 0.000 0.153 270 G HA3 -0.219 3.745 3.960 0.007 0.000 0.153 270 G C 0.400 175.276 174.900 -0.040 0.000 1.295 270 G CA 0.203 45.280 45.100 -0.039 0.000 1.257 270 G HN 0.027 nan 8.290 nan 0.000 0.495 271 S N -0.689 114.992 115.700 -0.031 0.000 2.501 271 S HA 0.125 4.599 4.470 0.007 0.000 0.220 271 S C 1.896 176.484 174.600 -0.020 0.000 0.997 271 S CA 1.873 60.058 58.200 -0.025 0.000 0.919 271 S CB -0.100 63.091 63.200 -0.015 0.000 0.778 271 S HN 0.925 nan 8.310 nan 0.000 0.523 272 T N 2.440 116.980 114.554 -0.024 0.000 3.093 272 T HA -0.061 4.293 4.350 0.007 0.000 0.270 272 T C 1.652 176.337 174.700 -0.026 0.000 1.170 272 T CA 0.996 63.081 62.100 -0.023 0.000 1.072 272 T CB -0.788 68.059 68.868 -0.034 0.000 0.863 272 T HN 0.435 nan 8.240 nan 0.000 0.562 273 V N 1.079 120.973 119.914 -0.032 0.000 2.220 273 V HA -0.187 3.937 4.120 0.007 0.000 0.242 273 V C 2.316 178.429 176.094 0.032 0.000 1.041 273 V CA 1.893 64.171 62.300 -0.036 0.000 0.990 273 V CB -0.937 30.836 31.823 -0.083 0.000 0.634 273 V HN 0.299 nan 8.190 nan 0.000 0.452 274 V N 1.073 120.998 119.914 0.018 0.000 2.428 274 V HA -0.345 3.779 4.120 0.007 0.000 0.255 274 V C 2.866 178.994 176.094 0.057 0.000 1.080 274 V CA 2.543 64.873 62.300 0.050 0.000 1.083 274 V CB -1.855 29.980 31.823 0.020 0.000 0.665 274 V HN 0.837 nan 8.190 nan 0.000 0.461 275 A N 0.219 123.063 122.820 0.040 0.000 1.849 275 A HA -0.233 4.091 4.320 0.007 0.000 0.216 275 A C 2.458 180.096 177.584 0.090 0.000 1.225 275 A CA 2.874 54.936 52.037 0.042 0.000 0.653 275 A CB -1.296 17.715 19.000 0.019 0.000 0.844 275 A HN 0.660 nan 8.150 nan 0.000 0.453 276 A N -1.710 121.194 122.820 0.139 0.000 1.930 276 A HA -0.094 4.230 4.320 0.007 0.000 0.217 276 A C 2.007 179.809 177.584 0.363 0.000 1.175 276 A CA 2.268 54.550 52.037 0.408 0.000 0.627 276 A CB -0.940 18.254 19.000 0.323 0.000 0.815 276 A HN 0.867 nan 8.150 nan 0.000 0.443 277 H N -0.562 118.585 119.070 0.128 0.000 2.325 277 H HA -0.178 4.383 4.556 0.007 0.000 0.296 277 H C 2.196 177.519 175.328 -0.010 0.000 1.053 277 H CA 2.456 58.535 56.048 0.051 0.000 1.204 277 H CB -0.538 29.198 29.762 -0.043 0.000 1.383 277 H HN 0.362 nan 8.280 nan 0.000 0.532 278 Q N 0.110 119.811 119.800 -0.164 0.000 2.065 278 Q HA -0.186 4.158 4.340 0.007 0.000 0.213 278 Q C 2.433 178.336 176.000 -0.161 0.000 1.012 278 Q CA 2.263 57.917 55.803 -0.248 0.000 0.876 278 Q CB -0.890 27.776 28.738 -0.120 0.000 0.954 278 Q HN 0.368 nan 8.270 nan 0.000 0.413 279 V N 0.121 119.999 119.914 -0.060 0.000 2.282 279 V HA -0.390 3.735 4.120 0.007 0.000 0.227 279 V C 2.009 178.068 176.094 -0.058 0.000 0.985 279 V CA 2.099 64.384 62.300 -0.026 0.000 1.002 279 V CB -1.477 30.358 31.823 0.020 0.000 0.655 279 V HN 0.599 nan 8.190 nan 0.000 0.484 280 A N -0.432 122.314 122.820 -0.124 0.000 1.863 280 A HA -0.295 4.029 4.320 0.007 0.000 0.218 280 A C 2.216 179.615 177.584 -0.308 0.000 1.233 280 A CA 2.825 54.675 52.037 -0.312 0.000 0.655 280 A CB -0.983 17.578 19.000 -0.731 0.000 0.839 280 A HN 0.560 nan 8.150 nan 0.000 0.454 281 L N -0.581 120.466 121.223 -0.294 0.000 1.929 281 L HA -0.317 4.027 4.340 0.007 0.000 0.229 281 L C 2.372 179.133 176.870 -0.180 0.000 1.086 281 L CA 2.310 56.992 54.840 -0.263 0.000 0.798 281 L CB -0.796 41.061 42.059 -0.337 0.000 0.898 281 L HN 0.653 nan 8.230 nan 0.000 0.436 282 N N -1.131 117.444 118.700 -0.207 0.000 2.053 282 N HA -0.340 4.404 4.740 0.007 0.000 0.200 282 N C 1.794 177.324 175.510 0.034 0.000 1.041 282 N CA 2.337 55.333 53.050 -0.089 0.000 0.882 282 N CB -0.407 38.018 38.487 -0.104 0.000 1.080 282 N HN 0.344 nan 8.380 nan 0.000 0.481 283 F N 1.491 121.371 119.950 -0.116 0.000 1.993 283 F HA -0.259 4.272 4.527 0.007 0.000 0.297 283 F C 2.855 178.615 175.800 -0.067 0.000 1.177 283 F CA 1.493 59.448 58.000 -0.075 0.000 1.182 283 F CB -0.432 38.522 39.000 -0.077 0.000 0.958 283 F HN -0.006 nan 8.300 nan 0.000 0.496 284 S N -0.563 115.002 115.700 -0.225 0.000 2.444 284 S HA -0.285 4.189 4.470 0.007 0.000 0.244 284 S C 2.081 176.599 174.600 -0.137 0.000 1.025 284 S CA 1.272 59.289 58.200 -0.306 0.000 0.995 284 S CB -0.628 62.311 63.200 -0.435 0.000 0.781 284 S HN 0.519 nan 8.310 nan 0.000 0.496 285 S N 0.148 115.796 115.700 -0.087 0.000 2.383 285 S HA -0.005 4.469 4.470 0.007 0.000 0.227 285 S C 1.594 176.262 174.600 0.113 0.000 1.026 285 S CA 0.791 59.016 58.200 0.042 0.000 0.981 285 S CB -0.142 63.078 63.200 0.034 0.000 0.818 285 S HN 0.325 nan 8.310 nan 0.000 0.472 286 L N 1.237 122.453 121.223 -0.013 0.000 2.095 286 L HA 0.081 4.425 4.340 0.007 0.000 0.204 286 L C 2.480 179.293 176.870 -0.095 0.000 1.080 286 L CA 1.033 55.866 54.840 -0.012 0.000 0.759 286 L CB -0.930 41.118 42.059 -0.018 0.000 0.914 286 L HN 0.163 nan 8.230 nan 0.000 0.439 287 V N -0.528 119.173 119.914 -0.354 0.000 2.324 287 V HA -0.353 3.771 4.120 0.007 0.000 0.250 287 V C 2.332 178.408 176.094 -0.029 0.000 1.060 287 V CA 2.157 64.240 62.300 -0.360 0.000 1.042 287 V CB -1.051 30.472 31.823 -0.501 0.000 0.650 287 V HN 0.439 nan 8.190 nan 0.000 0.450 288 F N 0.630 120.544 119.950 -0.060 0.000 2.171 288 F HA -0.222 4.309 4.527 0.007 0.000 0.300 288 F C 2.378 178.224 175.800 0.077 0.000 1.090 288 F CA 2.098 60.115 58.000 0.029 0.000 1.293 288 F CB -0.304 38.732 39.000 0.060 0.000 1.013 288 F HN 0.111 nan 8.300 nan 0.000 0.486 289 M N -0.766 118.856 119.600 0.036 0.000 2.192 289 M HA -0.264 4.220 4.480 0.007 0.000 0.259 289 M C 1.762 178.026 176.300 -0.059 0.000 1.071 289 M CA 1.862 57.138 55.300 -0.041 0.000 1.082 289 M CB -0.472 32.196 32.600 0.114 0.000 1.373 289 M HN 0.272 nan 8.290 nan 0.000 0.408 290 F N 0.399 120.237 119.950 -0.187 0.000 2.014 290 F HA -0.061 4.470 4.527 0.007 0.000 0.295 290 F C -0.684 174.992 175.800 -0.206 0.000 1.145 290 F CA 1.541 59.445 58.000 -0.160 0.000 1.178 290 F CB -2.024 36.906 39.000 -0.118 0.000 0.972 290 F HN 0.098 nan 8.300 nan 0.000 0.476 291 P HA -0.226 nan 4.420 nan 0.000 0.218 291 P C 2.013 179.158 177.300 -0.258 0.000 1.148 291 P CA 1.713 64.739 63.100 -0.124 0.000 0.822 291 P CB -0.229 31.419 31.700 -0.087 0.000 0.784 292 M N -0.584 118.714 119.600 -0.504 0.000 2.073 292 M HA -0.208 4.276 4.480 0.007 0.000 0.258 292 M C 1.879 178.042 176.300 -0.228 0.000 1.070 292 M CA 2.124 57.136 55.300 -0.479 0.000 1.103 292 M CB -0.511 31.671 32.600 -0.698 0.000 1.321 292 M HN -0.139 nan 8.290 nan 0.000 0.405 293 S N 1.008 116.569 115.700 -0.231 0.000 2.365 293 S HA -0.200 4.274 4.470 0.007 0.000 0.225 293 S C 1.784 176.262 174.600 -0.203 0.000 1.039 293 S CA 1.852 59.921 58.200 -0.218 0.000 1.033 293 S CB -0.666 62.359 63.200 -0.291 0.000 0.887 293 S HN 0.540 nan 8.310 nan 0.000 0.447 294 I N 1.358 121.815 120.570 -0.189 0.000 2.142 294 I HA -0.155 4.019 4.170 0.007 0.000 0.240 294 I C 2.736 178.788 176.117 -0.109 0.000 1.078 294 I CA 1.050 62.266 61.300 -0.140 0.000 1.343 294 I CB -1.303 36.631 38.000 -0.109 0.000 1.046 294 I HN 0.400 nan 8.210 nan 0.000 0.405 295 G N 1.040 109.778 108.800 -0.104 0.000 2.839 295 G HA2 -0.427 3.537 3.960 0.007 0.000 0.221 295 G HA3 -0.427 3.537 3.960 0.007 0.000 0.221 295 G C 1.773 176.652 174.900 -0.035 0.000 1.271 295 G CA 1.583 46.645 45.100 -0.065 0.000 0.789 295 G HN 0.526 nan 8.290 nan 0.000 0.659 296 A N 0.901 123.703 122.820 -0.030 0.000 1.917 296 A HA 0.103 4.427 4.320 0.007 0.000 0.219 296 A C 2.920 180.450 177.584 -0.090 0.000 1.182 296 A CA 2.988 55.004 52.037 -0.034 0.000 0.633 296 A CB -1.125 17.791 19.000 -0.140 0.000 0.819 296 A HN 1.375 nan 8.150 nan 0.000 0.448 297 A N -0.622 122.117 122.820 -0.135 0.000 1.881 297 A HA -0.176 4.148 4.320 0.007 0.000 0.219 297 A C 2.290 179.842 177.584 -0.054 0.000 1.215 297 A CA 2.492 54.458 52.037 -0.118 0.000 0.648 297 A CB -1.315 17.613 19.000 -0.119 0.000 0.832 297 A HN 0.519 nan 8.150 nan 0.000 0.455 298 V N -0.532 119.364 119.914 -0.030 0.000 2.216 298 V HA -0.254 3.870 4.120 0.007 0.000 0.243 298 V C 2.725 178.853 176.094 0.055 0.000 1.044 298 V CA 2.455 64.764 62.300 0.015 0.000 0.995 298 V CB -1.106 30.726 31.823 0.015 0.000 0.633 298 V HN 0.771 nan 8.190 nan 0.000 0.446 299 S N 0.370 116.107 115.700 0.062 0.000 2.429 299 S HA -0.316 4.158 4.470 0.007 0.000 0.251 299 S C 1.870 176.550 174.600 0.134 0.000 1.104 299 S CA 2.849 61.120 58.200 0.117 0.000 1.130 299 S CB -0.647 62.619 63.200 0.109 0.000 1.000 299 S HN 0.648 nan 8.310 nan 0.000 0.449 300 I N -2.172 118.444 120.570 0.076 0.000 2.703 300 I HA 0.191 4.365 4.170 0.007 0.000 0.259 300 I C 2.495 178.655 176.117 0.072 0.000 1.151 300 I CA 0.784 62.124 61.300 0.066 0.000 1.470 300 I CB -0.515 37.494 38.000 0.014 0.000 1.112 300 I HN 0.110 nan 8.210 nan 0.000 0.437 301 R N 1.642 122.174 120.500 0.054 0.000 2.115 301 R HA -0.045 4.299 4.340 0.007 0.000 0.230 301 R C 2.161 178.522 176.300 0.103 0.000 1.111 301 R CA 1.456 57.601 56.100 0.076 0.000 0.976 301 R CB -0.691 29.633 30.300 0.040 0.000 0.870 301 R HN 0.440 nan 8.270 nan 0.000 0.445 302 V N 0.087 120.062 119.914 0.103 0.000 3.129 302 V HA 0.050 4.174 4.120 0.007 0.000 0.259 302 V C 1.849 177.964 176.094 0.035 0.000 1.116 302 V CA 1.572 63.936 62.300 0.107 0.000 1.127 302 V CB 0.174 32.139 31.823 0.237 0.000 0.742 302 V HN 0.476 nan 8.190 nan 0.000 0.474 303 G N -1.126 107.716 108.800 0.069 0.000 2.459 303 G HA2 -0.218 3.746 3.960 0.007 0.000 0.213 303 G HA3 -0.218 3.746 3.960 0.007 0.000 0.213 303 G C 1.366 176.261 174.900 -0.009 0.000 1.155 303 G CA 0.798 45.901 45.100 0.006 0.000 0.811 303 G HN 0.697 nan 8.290 nan 0.000 0.534 304 H N 0.324 119.367 119.070 -0.045 0.000 2.395 304 H HA 0.130 4.691 4.556 0.007 0.000 0.299 304 H C 2.330 177.625 175.328 -0.054 0.000 1.070 304 H CA 1.606 57.624 56.048 -0.050 0.000 1.356 304 H CB 0.105 29.845 29.762 -0.037 0.000 1.401 304 H HN 0.201 nan 8.280 nan 0.000 0.524 305 K N -0.172 120.130 120.400 -0.164 0.000 2.155 305 K HA 0.019 4.343 4.320 0.007 0.000 0.203 305 K C 1.750 178.236 176.600 -0.190 0.000 1.052 305 K CA 0.672 56.829 56.287 -0.216 0.000 0.948 305 K CB -0.218 32.243 32.500 -0.065 0.000 0.728 305 K HN 0.264 nan 8.250 nan 0.000 0.448 306 L N -0.773 120.349 121.223 -0.168 0.000 2.179 306 L HA 0.120 4.464 4.340 0.007 0.000 0.208 306 L C 2.047 178.859 176.870 -0.096 0.000 1.096 306 L CA 1.715 56.459 54.840 -0.160 0.000 0.779 306 L CB -0.827 41.072 42.059 -0.265 0.000 0.922 306 L HN 0.289 nan 8.230 nan 0.000 0.443 307 G N -1.498 107.218 108.800 -0.139 0.000 2.430 307 G HA2 -0.162 3.803 3.960 0.007 0.000 0.216 307 G HA3 -0.162 3.803 3.960 0.007 0.000 0.216 307 G C 1.306 176.122 174.900 -0.141 0.000 1.146 307 G CA 0.418 45.437 45.100 -0.135 0.000 0.793 307 G HN 0.399 nan 8.290 nan 0.000 0.537 308 E N -0.013 120.054 120.200 -0.222 0.000 3.033 308 E HA 0.056 4.410 4.350 0.007 0.000 0.420 308 E C 1.974 178.496 176.600 -0.131 0.000 0.478 308 E CA -0.141 56.139 56.400 -0.200 0.000 2.555 308 E CB -0.079 29.433 29.700 -0.314 0.000 1.927 308 E HN 0.187 nan 8.360 nan 0.000 0.499 309 Q N 0.163 119.886 119.800 -0.128 0.000 2.561 309 Q HA -0.118 4.226 4.340 0.007 0.000 0.217 309 Q C -0.554 175.397 176.000 -0.081 0.000 0.980 309 Q CA 0.704 56.455 55.803 -0.087 0.000 0.927 309 Q CB -0.047 28.646 28.738 -0.075 0.000 0.980 309 Q HN 0.401 nan 8.270 nan 0.000 0.525 310 D N 0.238 120.583 120.400 -0.093 0.000 2.837 310 D HA -0.164 4.480 4.640 0.007 0.000 0.230 310 D C 0.072 176.317 176.300 -0.092 0.000 1.152 310 D CA 1.339 55.289 54.000 -0.085 0.000 0.736 310 D CB -1.321 39.440 40.800 -0.065 0.000 1.084 310 D HN 0.280 nan 8.370 nan 0.000 0.429 311 T N -0.485 114.013 114.554 -0.095 0.000 2.732 311 T HA 0.124 4.478 4.350 0.007 0.000 0.287 311 T C 0.829 175.474 174.700 -0.090 0.000 0.993 311 T CA -0.234 61.817 62.100 -0.081 0.000 0.966 311 T CB 0.642 69.471 68.868 -0.066 0.000 1.047 311 T HN -0.158 nan 8.240 nan 0.000 0.527 312 K N 2.161 122.516 120.400 -0.075 0.000 3.006 312 K HA 0.194 4.518 4.320 0.007 0.000 0.265 312 K C 1.567 178.137 176.600 -0.049 0.000 1.279 312 K CA -0.010 56.226 56.287 -0.085 0.000 1.229 312 K CB -0.446 32.011 32.500 -0.072 0.000 1.555 312 K HN 0.754 nan 8.250 nan 0.000 0.300 313 G N 1.206 109.975 108.800 -0.052 0.000 2.485 313 G HA2 -0.323 3.641 3.960 0.007 0.000 0.221 313 G HA3 -0.323 3.641 3.960 0.007 0.000 0.221 313 G C 1.547 176.469 174.900 0.037 0.000 1.115 313 G CA 1.009 46.102 45.100 -0.011 0.000 0.751 313 G HN 0.475 nan 8.290 nan 0.000 0.567 314 A N 1.473 124.300 122.820 0.012 0.000 1.869 314 A HA 0.053 4.377 4.320 0.007 0.000 0.218 314 A C 2.862 180.548 177.584 0.170 0.000 1.203 314 A CA 2.928 55.021 52.037 0.093 0.000 0.638 314 A CB -1.234 17.604 19.000 -0.272 0.000 0.831 314 A HN 1.012 nan 8.150 nan 0.000 0.450 315 A N 0.228 123.106 122.820 0.096 0.000 1.849 315 A HA -0.144 4.180 4.320 0.007 0.000 0.216 315 A C 1.991 179.625 177.584 0.084 0.000 1.225 315 A CA 1.916 54.019 52.037 0.109 0.000 0.653 315 A CB -1.232 17.797 19.000 0.048 0.000 0.844 315 A HN 0.666 nan 8.150 nan 0.000 0.453 316 I N -0.773 119.825 120.570 0.048 0.000 2.704 316 I HA -0.302 3.872 4.170 0.007 0.000 0.162 316 I C 2.786 178.936 176.117 0.055 0.000 0.923 316 I CA 1.377 62.700 61.300 0.039 0.000 1.277 316 I CB -1.352 36.661 38.000 0.023 0.000 1.025 316 I HN 0.428 nan 8.210 nan 0.000 0.395 317 A N 0.729 123.583 122.820 0.057 0.000 1.906 317 A HA -0.344 3.981 4.320 0.007 0.000 0.222 317 A C 2.416 180.043 177.584 0.071 0.000 1.282 317 A CA 3.627 55.703 52.037 0.065 0.000 0.675 317 A CB -1.541 17.510 19.000 0.086 0.000 0.838 317 A HN 0.757 nan 8.150 nan 0.000 0.469 318 A N -0.299 122.586 122.820 0.109 0.000 1.848 318 A HA -0.216 4.108 4.320 0.007 0.000 0.211 318 A C 1.690 179.305 177.584 0.052 0.000 1.225 318 A CA 2.037 54.135 52.037 0.101 0.000 0.637 318 A CB -1.133 17.985 19.000 0.198 0.000 0.867 318 A HN 0.598 nan 8.150 nan 0.000 0.463 319 N N -0.509 118.230 118.700 0.065 0.000 2.503 319 N HA -0.114 4.630 4.740 0.007 0.000 0.189 319 N C 1.296 176.823 175.510 0.029 0.000 1.048 319 N CA 1.131 54.200 53.050 0.033 0.000 0.905 319 N CB -0.406 38.109 38.487 0.047 0.000 0.951 319 N HN 0.357 nan 8.380 nan 0.000 0.446 320 V N -0.257 119.679 119.914 0.035 0.000 2.300 320 V HA 0.086 4.210 4.120 0.007 0.000 0.241 320 V C 2.049 178.151 176.094 0.013 0.000 1.034 320 V CA 1.933 64.252 62.300 0.032 0.000 1.021 320 V CB -0.943 30.901 31.823 0.035 0.000 0.662 320 V HN 0.274 nan 8.190 nan 0.000 0.458 321 G N 0.788 109.592 108.800 0.006 0.000 2.599 321 G HA2 -0.311 3.653 3.960 0.007 0.000 0.219 321 G HA3 -0.311 3.653 3.960 0.007 0.000 0.219 321 G C 1.501 176.388 174.900 -0.021 0.000 1.193 321 G CA 1.756 46.847 45.100 -0.014 0.000 0.778 321 G HN 0.567 nan 8.290 nan 0.000 0.589 322 L N -0.331 120.878 121.223 -0.023 0.000 1.951 322 L HA -0.227 4.117 4.340 0.007 0.000 0.222 322 L C 2.915 179.774 176.870 -0.019 0.000 1.078 322 L CA 2.075 56.895 54.840 -0.033 0.000 0.778 322 L CB -0.795 41.240 42.059 -0.040 0.000 0.893 322 L HN 0.310 nan 8.230 nan 0.000 0.436 323 M N 0.152 119.749 119.600 -0.005 0.000 2.352 323 M HA -0.299 4.186 4.480 0.007 0.000 0.260 323 M C 2.454 178.757 176.300 0.004 0.000 1.068 323 M CA 3.157 58.459 55.300 0.004 0.000 1.082 323 M CB -0.436 32.176 32.600 0.021 0.000 1.262 323 M HN 0.578 nan 8.290 nan 0.000 0.444 324 T N -1.683 112.875 114.554 0.006 0.000 2.595 324 T HA -0.096 4.258 4.350 0.007 0.000 0.264 324 T C 1.912 176.616 174.700 0.006 0.000 1.058 324 T CA 1.538 63.642 62.100 0.007 0.000 1.166 324 T CB -1.978 66.891 68.868 0.001 0.000 0.863 324 T HN 0.615 nan 8.240 nan 0.000 0.415 325 G N 2.796 111.591 108.800 -0.008 0.000 2.663 325 G HA2 -0.293 3.671 3.960 0.007 0.000 0.222 325 G HA3 -0.293 3.671 3.960 0.007 0.000 0.222 325 G C 1.459 176.363 174.900 0.008 0.000 1.146 325 G CA 1.304 46.401 45.100 -0.005 0.000 0.764 325 G HN 0.414 nan 8.290 nan 0.000 0.608 326 L N 1.501 122.721 121.223 -0.004 0.000 1.944 326 L HA -0.119 4.225 4.340 0.007 0.000 0.218 326 L C 3.242 180.118 176.870 0.009 0.000 1.075 326 L CA 2.903 57.741 54.840 -0.004 0.000 0.767 326 L CB -1.582 40.472 42.059 -0.008 0.000 0.890 326 L HN 0.392 nan 8.230 nan 0.000 0.434 327 A N -0.619 122.209 122.820 0.013 0.000 1.906 327 A HA -0.400 3.924 4.320 0.007 0.000 0.222 327 A C 2.276 179.880 177.584 0.032 0.000 1.282 327 A CA 4.045 56.094 52.037 0.020 0.000 0.675 327 A CB -1.557 17.456 19.000 0.022 0.000 0.838 327 A HN 0.716 nan 8.150 nan 0.000 0.469 328 T N -1.921 112.670 114.554 0.060 0.000 2.668 328 T HA 0.121 4.475 4.350 0.007 0.000 0.262 328 T C 2.026 176.754 174.700 0.047 0.000 1.045 328 T CA 1.864 64.027 62.100 0.106 0.000 1.152 328 T CB -1.011 68.006 68.868 0.248 0.000 0.864 328 T HN 0.967 nan 8.240 nan 0.000 0.419 329 A N -0.085 122.760 122.820 0.042 0.000 2.186 329 A HA -0.042 4.282 4.320 0.007 0.000 0.219 329 A C 2.604 180.176 177.584 -0.019 0.000 1.159 329 A CA 1.361 53.393 52.037 -0.008 0.000 0.680 329 A CB -1.493 17.503 19.000 -0.007 0.000 0.787 329 A HN 0.703 nan 8.150 nan 0.000 0.467 330 C N -1.449 117.848 119.300 -0.005 0.000 2.507 330 C HA 0.195 4.659 4.460 0.007 0.000 0.280 330 C C 2.375 177.361 174.990 -0.007 0.000 1.345 330 C CA 0.409 59.424 59.018 -0.005 0.000 1.736 330 C CB -0.836 26.905 27.740 0.001 0.000 2.060 330 C HN 0.605 nan 8.230 nan 0.000 0.498 331 I N 1.698 122.265 120.570 -0.006 0.000 2.163 331 I HA -0.117 4.057 4.170 0.007 0.000 0.240 331 I C 2.665 178.755 176.117 -0.044 0.000 1.081 331 I CA 2.509 63.801 61.300 -0.014 0.000 1.353 331 I CB -1.161 36.842 38.000 0.005 0.000 1.054 331 I HN 0.501 nan 8.210 nan 0.000 0.407 332 T N -1.155 113.346 114.554 -0.089 0.000 3.023 332 T HA 0.088 4.443 4.350 0.007 0.000 0.266 332 T C 1.967 176.639 174.700 -0.047 0.000 1.093 332 T CA 0.773 62.796 62.100 -0.129 0.000 1.129 332 T CB -0.275 68.416 68.868 -0.296 0.000 0.899 332 T HN 0.253 nan 8.240 nan 0.000 0.491 333 A N 1.911 124.712 122.820 -0.032 0.000 1.845 333 A HA 0.135 4.459 4.320 0.007 0.000 0.215 333 A C 2.240 179.835 177.584 0.018 0.000 1.195 333 A CA 1.288 53.324 52.037 -0.002 0.000 0.616 333 A CB -0.946 18.051 19.000 -0.006 0.000 0.832 333 A HN 0.401 nan 8.150 nan 0.000 0.443 334 L N -0.304 120.924 121.223 0.008 0.000 1.994 334 L HA -0.164 4.180 4.340 0.007 0.000 0.208 334 L C 2.455 179.339 176.870 0.024 0.000 1.071 334 L CA 1.955 56.805 54.840 0.017 0.000 0.745 334 L CB -1.114 40.950 42.059 0.009 0.000 0.892 334 L HN 0.615 nan 8.230 nan 0.000 0.431 335 L N -2.563 118.662 121.223 0.003 0.000 2.447 335 L HA -0.116 4.228 4.340 0.007 0.000 0.225 335 L C 1.826 178.730 176.870 0.057 0.000 1.148 335 L CA 1.931 56.767 54.840 -0.006 0.000 0.808 335 L CB -1.575 40.441 42.059 -0.071 0.000 0.928 335 L HN 0.151 nan 8.230 nan 0.000 0.448 336 T N -1.642 112.965 114.554 0.089 0.000 3.010 336 T HA 0.015 4.369 4.350 0.007 0.000 0.252 336 T C 1.921 176.679 174.700 0.098 0.000 1.047 336 T CA 0.932 63.117 62.100 0.142 0.000 1.140 336 T CB -0.157 68.839 68.868 0.213 0.000 0.885 336 T HN 0.152 nan 8.240 nan 0.000 0.464 337 V N 2.328 122.286 119.914 0.072 0.000 2.380 337 V HA -0.167 3.957 4.120 0.007 0.000 0.251 337 V C 2.276 178.404 176.094 0.056 0.000 1.063 337 V CA 1.808 64.140 62.300 0.054 0.000 1.055 337 V CB -0.450 31.399 31.823 0.044 0.000 0.657 337 V HN 0.404 nan 8.190 nan 0.000 0.455 338 L N -0.823 120.451 121.223 0.086 0.000 1.993 338 L HA 0.013 4.358 4.340 0.007 0.000 0.206 338 L C 1.896 178.840 176.870 0.124 0.000 1.074 338 L CA 2.156 57.060 54.840 0.107 0.000 0.746 338 L CB -1.128 41.019 42.059 0.147 0.000 0.896 338 L HN 0.256 nan 8.230 nan 0.000 0.435 339 F N 1.454 121.376 119.950 -0.047 0.000 2.802 339 F HA 0.030 4.561 4.527 0.007 0.000 0.302 339 F C 2.078 177.791 175.800 -0.145 0.000 1.211 339 F CA 0.416 58.367 58.000 -0.083 0.000 1.431 339 F CB -0.583 38.369 39.000 -0.080 0.000 1.114 339 F HN 0.268 nan 8.300 nan 0.000 0.567 340 R N 0.543 121.014 120.500 -0.048 0.000 2.221 340 R HA -0.251 4.093 4.340 0.007 0.000 0.215 340 R C 1.754 177.945 176.300 -0.181 0.000 1.092 340 R CA 1.610 57.639 56.100 -0.118 0.000 0.858 340 R CB -1.378 28.887 30.300 -0.058 0.000 0.791 340 R HN 0.241 nan 8.270 nan 0.000 0.442 341 E N 1.301 121.411 120.200 -0.150 0.000 2.675 341 E HA -0.389 3.966 4.350 0.007 0.000 0.244 341 E C 1.975 178.456 176.600 -0.198 0.000 0.956 341 E CA 2.617 58.921 56.400 -0.160 0.000 1.237 341 E CB -1.173 28.431 29.700 -0.159 0.000 1.217 341 E HN 0.658 nan 8.360 nan 0.000 0.503 342 Q N -0.420 119.208 119.800 -0.287 0.000 2.096 342 Q HA -0.126 4.218 4.340 0.007 0.000 0.204 342 Q C 2.391 178.251 176.000 -0.233 0.000 0.982 342 Q CA 1.474 57.113 55.803 -0.273 0.000 0.850 342 Q CB -0.221 28.277 28.738 -0.399 0.000 0.901 342 Q HN 0.362 nan 8.270 nan 0.000 0.422 343 I N 1.050 121.446 120.570 -0.291 0.000 2.151 343 I HA -0.286 3.888 4.170 0.007 0.000 0.243 343 I C 2.436 178.402 176.117 -0.252 0.000 1.080 343 I CA 1.513 62.629 61.300 -0.306 0.000 1.339 343 I CB -1.507 36.175 38.000 -0.530 0.000 1.039 343 I HN 0.149 nan 8.210 nan 0.000 0.409 344 A N 0.822 123.515 122.820 -0.212 0.000 1.892 344 A HA -0.175 4.149 4.320 0.007 0.000 0.218 344 A C 2.009 179.540 177.584 -0.090 0.000 1.188 344 A CA 1.177 53.135 52.037 -0.132 0.000 0.631 344 A CB -1.087 17.853 19.000 -0.100 0.000 0.822 344 A HN 0.469 nan 8.150 nan 0.000 0.447 345 L N 0.555 121.719 121.223 -0.098 0.000 2.949 345 L HA -0.010 4.334 4.340 0.007 0.000 0.263 345 L C 1.711 178.557 176.870 -0.041 0.000 1.190 345 L CA -0.305 54.498 54.840 -0.062 0.000 1.022 345 L CB -0.930 41.081 42.059 -0.081 0.000 1.313 345 L HN 0.506 nan 8.230 nan 0.000 0.413 346 L N -0.316 120.884 121.223 -0.038 0.000 1.908 346 L HA -0.206 4.138 4.340 0.007 0.000 0.227 346 L C 0.891 177.800 176.870 0.065 0.000 1.087 346 L CA 1.133 55.968 54.840 -0.010 0.000 0.797 346 L CB -0.176 41.869 42.059 -0.022 0.000 0.893 346 L HN 0.073 nan 8.230 nan 0.000 0.432 347 Y N 1.192 121.451 120.300 -0.068 0.000 2.717 347 Y HA -0.065 4.489 4.550 0.007 0.000 0.330 347 Y C 0.405 176.276 175.900 -0.048 0.000 1.217 347 Y CA -0.253 57.812 58.100 -0.058 0.000 1.506 347 Y CB 0.078 38.516 38.460 -0.037 0.000 1.268 347 Y HN 0.164 nan 8.280 nan 0.000 0.561 348 T N 7.437 121.930 114.554 -0.102 0.000 3.162 348 T HA 0.166 4.520 4.350 0.007 0.000 0.264 348 T C -0.289 174.342 174.700 -0.115 0.000 0.959 348 T CA -0.014 62.023 62.100 -0.103 0.000 1.118 348 T CB -0.655 68.139 68.868 -0.124 0.000 0.979 348 T HN 0.606 nan 8.240 nan 0.000 0.679 349 E N 1.841 122.019 120.200 -0.036 0.000 2.469 349 E HA 0.412 4.766 4.350 0.007 0.000 0.237 349 E C 0.401 176.995 176.600 -0.010 0.000 0.840 349 E CA -1.237 55.154 56.400 -0.014 0.000 0.894 349 E CB 0.713 30.450 29.700 0.063 0.000 1.681 349 E HN 0.380 nan 8.360 nan 0.000 0.401 350 N N 0.506 119.206 118.700 0.000 0.000 2.327 350 N HA -0.108 4.636 4.740 0.007 0.000 0.285 350 N C 0.880 176.387 175.510 -0.005 0.000 1.299 350 N CA -0.187 52.859 53.050 -0.006 0.000 0.944 350 N CB 0.139 38.624 38.487 -0.003 0.000 1.067 350 N HN 0.474 nan 8.380 nan 0.000 0.514 351 Q N 0.491 120.286 119.800 -0.008 0.000 1.917 351 Q HA -0.085 4.259 4.340 0.007 0.000 0.205 351 Q C 0.756 176.755 176.000 -0.002 0.000 0.988 351 Q CA 1.275 57.072 55.803 -0.010 0.000 0.851 351 Q CB -0.927 27.804 28.738 -0.012 0.000 0.916 351 Q HN 0.528 nan 8.270 nan 0.000 0.424 352 V N -0.787 119.128 119.914 0.002 0.000 3.845 352 V HA -0.373 3.751 4.120 0.007 0.000 0.547 352 V C 1.676 177.773 176.094 0.005 0.000 0.686 352 V CA 1.181 63.485 62.300 0.008 0.000 2.113 352 V CB -0.737 31.099 31.823 0.021 0.000 2.501 352 V HN 0.467 nan 8.190 nan 0.000 0.522 353 V N 2.196 122.114 119.914 0.006 0.000 2.407 353 V HA -0.457 3.667 4.120 0.007 0.000 0.239 353 V C 2.204 178.298 176.094 0.000 0.000 1.082 353 V CA 3.800 66.103 62.300 0.005 0.000 1.094 353 V CB -1.643 30.187 31.823 0.013 0.000 0.923 353 V HN 1.915 nan 8.190 nan 0.000 0.471 354 V N -0.537 119.375 119.914 -0.004 0.000 2.564 354 V HA -0.523 3.602 4.120 0.007 0.000 0.185 354 V C 2.377 178.460 176.094 -0.019 0.000 1.092 354 V CA 3.910 66.200 62.300 -0.017 0.000 1.174 354 V CB -1.551 30.260 31.823 -0.020 0.000 1.163 354 V HN 0.896 nan 8.190 nan 0.000 0.487 355 A N -1.955 120.857 122.820 -0.012 0.000 1.843 355 A HA -0.022 4.303 4.320 0.007 0.000 0.213 355 A C 1.869 179.453 177.584 -0.000 0.000 1.202 355 A CA 1.943 53.974 52.037 -0.009 0.000 0.607 355 A CB -0.446 18.550 19.000 -0.008 0.000 0.847 355 A HN 0.516 nan 8.150 nan 0.000 0.445 356 L N -0.351 120.874 121.223 0.003 0.000 2.217 356 L HA 0.023 4.367 4.340 0.007 0.000 0.211 356 L C 2.746 179.626 176.870 0.017 0.000 1.107 356 L CA 1.491 56.337 54.840 0.010 0.000 0.783 356 L CB -0.520 41.543 42.059 0.007 0.000 0.919 356 L HN 0.391 nan 8.230 nan 0.000 0.442 357 A N -0.746 122.081 122.820 0.011 0.000 1.865 357 A HA -0.276 4.048 4.320 0.007 0.000 0.217 357 A C 2.310 179.903 177.584 0.015 0.000 1.191 357 A CA 2.059 54.105 52.037 0.014 0.000 0.623 357 A CB -0.737 18.262 19.000 -0.002 0.000 0.826 357 A HN 0.451 nan 8.150 nan 0.000 0.444 358 M N -0.337 119.263 119.600 -0.000 0.000 2.108 358 M HA -0.232 4.253 4.480 0.007 0.000 0.257 358 M C 1.998 178.315 176.300 0.028 0.000 1.071 358 M CA 2.083 57.382 55.300 -0.001 0.000 1.093 358 M CB -1.084 31.509 32.600 -0.012 0.000 1.345 358 M HN 0.497 nan 8.290 nan 0.000 0.403 359 Q N 0.261 120.082 119.800 0.035 0.000 2.061 359 Q HA -0.148 4.196 4.340 0.007 0.000 0.204 359 Q C 2.300 178.355 176.000 0.091 0.000 0.984 359 Q CA 1.724 57.559 55.803 0.054 0.000 0.846 359 Q CB -0.546 28.218 28.738 0.043 0.000 0.902 359 Q HN 0.605 nan 8.270 nan 0.000 0.421 360 L N 0.255 121.529 121.223 0.086 0.000 1.976 360 L HA -0.217 4.127 4.340 0.007 0.000 0.209 360 L C 2.611 179.624 176.870 0.238 0.000 1.071 360 L CA 0.856 55.776 54.840 0.132 0.000 0.746 360 L CB -0.828 41.271 42.059 0.066 0.000 0.890 360 L HN 0.192 nan 8.230 nan 0.000 0.432 361 L N -0.185 121.110 121.223 0.121 0.000 2.119 361 L HA -0.347 3.997 4.340 0.007 0.000 0.226 361 L C 2.648 179.580 176.870 0.103 0.000 1.093 361 L CA 1.819 56.712 54.840 0.088 0.000 0.806 361 L CB -0.497 41.573 42.059 0.019 0.000 0.902 361 L HN 0.296 nan 8.230 nan 0.000 0.444 362 L N -0.719 120.569 121.223 0.109 0.000 1.994 362 L HA -0.269 4.075 4.340 0.007 0.000 0.208 362 L C 2.558 179.498 176.870 0.117 0.000 1.071 362 L CA 1.869 56.768 54.840 0.098 0.000 0.745 362 L CB -0.505 41.609 42.059 0.092 0.000 0.892 362 L HN 0.314 nan 8.230 nan 0.000 0.431 363 F N 1.171 121.120 119.950 -0.003 0.000 2.111 363 F HA -0.323 4.208 4.527 0.007 0.000 0.300 363 F C 2.184 177.972 175.800 -0.020 0.000 1.088 363 F CA 1.653 59.651 58.000 -0.003 0.000 1.243 363 F CB -1.270 37.717 39.000 -0.022 0.000 0.996 363 F HN 0.142 nan 8.300 nan 0.000 0.483 364 A N 1.339 123.849 122.820 -0.517 0.000 1.851 364 A HA -0.077 4.247 4.320 0.007 0.000 0.216 364 A C 2.611 180.051 177.584 -0.240 0.000 1.195 364 A CA 2.664 54.328 52.037 -0.623 0.000 0.622 364 A CB -1.761 17.078 19.000 -0.267 0.000 0.831 364 A HN 0.775 nan 8.150 nan 0.000 0.444 365 A N -0.006 122.767 122.820 -0.079 0.000 1.881 365 A HA -0.227 4.098 4.320 0.007 0.000 0.219 365 A C 2.028 179.590 177.584 -0.037 0.000 1.215 365 A CA 2.078 54.103 52.037 -0.020 0.000 0.648 365 A CB -0.747 18.262 19.000 0.016 0.000 0.832 365 A HN 0.439 nan 8.150 nan 0.000 0.455 366 I N -1.642 118.903 120.570 -0.041 0.000 2.194 366 I HA -0.255 3.919 4.170 0.007 0.000 0.246 366 I C 2.360 178.455 176.117 -0.037 0.000 1.093 366 I CA 1.838 63.123 61.300 -0.024 0.000 1.355 366 I CB -1.481 36.523 38.000 0.007 0.000 1.046 366 I HN 0.621 nan 8.210 nan 0.000 0.413 367 Y N 1.675 121.804 120.300 -0.285 0.000 2.163 367 Y HA -0.246 4.308 4.550 0.007 0.000 0.288 367 Y C 2.692 178.481 175.900 -0.185 0.000 1.136 367 Y CA 1.682 59.605 58.100 -0.296 0.000 1.147 367 Y CB -0.371 37.724 38.460 -0.608 0.000 0.987 367 Y HN 0.217 nan 8.280 nan 0.000 0.509 368 Q N -0.312 119.525 119.800 0.061 0.000 1.943 368 Q HA -0.380 3.964 4.340 0.007 0.000 0.213 368 Q C 2.613 178.583 176.000 -0.050 0.000 1.017 368 Q CA 2.665 58.476 55.803 0.014 0.000 0.874 368 Q CB -1.127 27.592 28.738 -0.032 0.000 0.960 368 Q HN 0.735 nan 8.270 nan 0.000 0.417 369 C N 0.232 119.505 119.300 -0.046 0.000 2.388 369 C HA -0.203 4.261 4.460 0.007 0.000 0.277 369 C C 2.632 177.581 174.990 -0.067 0.000 1.210 369 C CA 1.357 60.349 59.018 -0.044 0.000 1.743 369 C CB -0.988 26.736 27.740 -0.027 0.000 2.047 369 C HN 0.608 nan 8.230 nan 0.000 0.458 370 M N 1.887 121.437 119.600 -0.083 0.000 2.073 370 M HA -0.102 4.383 4.480 0.007 0.000 0.258 370 M C 1.949 178.160 176.300 -0.149 0.000 1.070 370 M CA 2.452 57.697 55.300 -0.092 0.000 1.103 370 M CB -1.544 31.012 32.600 -0.074 0.000 1.321 370 M HN 0.604 nan 8.290 nan 0.000 0.405 371 D N -0.483 119.746 120.400 -0.285 0.000 2.126 371 D HA -0.191 4.453 4.640 0.007 0.000 0.190 371 D C 1.797 178.020 176.300 -0.128 0.000 1.001 371 D CA 2.037 55.842 54.000 -0.326 0.000 0.841 371 D CB -0.299 40.196 40.800 -0.508 0.000 0.949 371 D HN 0.436 nan 8.370 nan 0.000 0.446 372 A N 0.845 123.614 122.820 -0.085 0.000 1.863 372 A HA -0.254 4.070 4.320 0.007 0.000 0.218 372 A C 2.631 180.171 177.584 -0.073 0.000 1.233 372 A CA 3.098 55.103 52.037 -0.054 0.000 0.655 372 A CB -1.489 17.490 19.000 -0.034 0.000 0.839 372 A HN 0.276 nan 8.150 nan 0.000 0.454 373 V N 0.108 119.976 119.914 -0.077 0.000 2.252 373 V HA -0.349 3.775 4.120 0.007 0.000 0.249 373 V C 2.557 178.574 176.094 -0.127 0.000 1.056 373 V CA 3.122 65.368 62.300 -0.090 0.000 1.022 373 V CB -0.738 31.038 31.823 -0.078 0.000 0.641 373 V HN 0.767 nan 8.190 nan 0.000 0.445 374 Q N -0.438 119.283 119.800 -0.131 0.000 2.096 374 Q HA -0.201 4.143 4.340 0.007 0.000 0.208 374 Q C 2.112 177.982 176.000 -0.216 0.000 0.993 374 Q CA 3.071 58.766 55.803 -0.181 0.000 0.862 374 Q CB -0.470 28.171 28.738 -0.161 0.000 0.915 374 Q HN 0.637 nan 8.270 nan 0.000 0.416 375 V N 0.386 120.224 119.914 -0.126 0.000 2.232 375 V HA -0.245 3.879 4.120 0.007 0.000 0.237 375 V C 2.442 178.453 176.094 -0.138 0.000 1.035 375 V CA 1.724 63.977 62.300 -0.079 0.000 0.988 375 V CB -1.331 30.487 31.823 -0.008 0.000 0.636 375 V HN 0.418 nan 8.190 nan 0.000 0.456 376 V N 0.508 120.354 119.914 -0.115 0.000 2.226 376 V HA -0.370 3.754 4.120 0.007 0.000 0.254 376 V C 2.433 178.432 176.094 -0.158 0.000 1.065 376 V CA 3.106 65.338 62.300 -0.113 0.000 1.039 376 V CB -1.209 30.562 31.823 -0.087 0.000 0.653 376 V HN 0.640 nan 8.190 nan 0.000 0.450 377 A N 0.555 123.271 122.820 -0.174 0.000 1.912 377 A HA -0.190 4.134 4.320 0.007 0.000 0.217 377 A C 2.392 179.763 177.584 -0.355 0.000 1.309 377 A CA 3.872 55.778 52.037 -0.220 0.000 0.726 377 A CB -1.770 17.101 19.000 -0.215 0.000 0.840 377 A HN 1.463 nan 8.150 nan 0.000 0.473 378 A N -1.567 120.954 122.820 -0.499 0.000 2.934 378 A HA 0.062 4.386 4.320 0.007 0.000 0.186 378 A C 2.658 179.659 177.584 -0.971 0.000 0.968 378 A CA 2.677 54.147 52.037 -0.946 0.000 1.058 378 A CB -1.792 16.600 19.000 -1.013 0.000 0.780 378 A HN 1.745 nan 8.150 nan 0.000 0.567 379 G N -1.585 106.812 108.800 -0.673 0.000 3.048 379 G HA2 -0.347 3.617 3.960 0.007 0.000 0.226 379 G HA3 -0.347 3.617 3.960 0.007 0.000 0.226 379 G C 1.780 176.671 174.900 -0.015 0.000 1.072 379 G CA 2.545 47.594 45.100 -0.085 0.000 0.721 379 G HN 0.977 nan 8.290 nan 0.000 0.661 380 S N -0.608 115.021 115.700 -0.119 0.000 2.460 380 S HA 0.164 4.638 4.470 0.007 0.000 0.185 380 S C 2.349 176.909 174.600 -0.067 0.000 0.908 380 S CA 0.587 58.765 58.200 -0.036 0.000 0.894 380 S CB -0.565 62.614 63.200 -0.036 0.000 0.855 380 S HN 0.236 nan 8.310 nan 0.000 0.574 381 L N 1.124 122.277 121.223 -0.117 0.000 2.011 381 L HA -0.215 4.129 4.340 0.007 0.000 0.225 381 L C 2.972 179.518 176.870 -0.541 0.000 1.084 381 L CA 1.933 56.677 54.840 -0.160 0.000 0.791 381 L CB -0.635 41.351 42.059 -0.122 0.000 0.898 381 L HN 0.292 nan 8.230 nan 0.000 0.440 382 R N 0.228 120.446 120.500 -0.471 0.000 2.115 382 R HA -0.024 4.320 4.340 0.007 0.000 0.226 382 R C 2.241 178.471 176.300 -0.117 0.000 1.100 382 R CA 0.986 56.836 56.100 -0.417 0.000 0.980 382 R CB -1.331 28.748 30.300 -0.368 0.000 0.875 382 R HN 0.420 nan 8.270 nan 0.000 0.445 383 G N 0.552 109.346 108.800 -0.009 0.000 2.537 383 G HA2 -0.292 3.672 3.960 0.007 0.000 0.220 383 G HA3 -0.292 3.672 3.960 0.007 0.000 0.220 383 G C 0.883 175.900 174.900 0.196 0.000 1.111 383 G CA 0.911 46.139 45.100 0.213 0.000 0.748 383 G HN 0.531 nan 8.290 nan 0.000 0.564 384 Y N -0.669 119.714 120.300 0.139 0.000 2.553 384 Y HA 0.597 5.151 4.550 0.007 0.000 0.303 384 Y C 0.608 176.580 175.900 0.119 0.000 1.194 384 Y CA -0.830 57.338 58.100 0.113 0.000 1.305 384 Y CB -0.477 38.039 38.460 0.094 0.000 1.045 384 Y HN 0.028 nan 8.280 nan 0.000 0.514 385 K N -0.340 120.296 120.400 0.394 0.000 3.552 385 K HA 0.102 4.426 4.320 0.007 0.000 0.382 385 K C -0.083 176.634 176.600 0.195 0.000 1.059 385 K CA 0.042 56.526 56.287 0.328 0.000 0.799 385 K CB -0.305 32.483 32.500 0.480 0.000 1.495 385 K HN 0.019 nan 8.250 nan 0.000 0.491 386 D N 0.980 121.467 120.400 0.146 0.000 2.347 386 D HA -0.269 4.375 4.640 0.007 0.000 0.208 386 D C 1.504 177.858 176.300 0.091 0.000 0.994 386 D CA 1.953 56.005 54.000 0.088 0.000 0.924 386 D CB -0.321 40.510 40.800 0.052 0.000 0.892 386 D HN 0.514 nan 8.370 nan 0.000 0.471 387 M N 0.889 120.567 119.600 0.130 0.000 2.435 387 M HA -0.122 4.362 4.480 0.007 0.000 0.262 387 M C 1.926 178.388 176.300 0.271 0.000 1.065 387 M CA 1.927 57.338 55.300 0.185 0.000 1.076 387 M CB -2.048 30.639 32.600 0.146 0.000 1.403 387 M HN 0.228 nan 8.290 nan 0.000 0.454 388 T N -0.368 114.286 114.554 0.167 0.000 2.720 388 T HA -0.031 4.323 4.350 0.007 0.000 0.268 388 T C 1.928 176.419 174.700 -0.348 0.000 1.037 388 T CA 1.820 63.829 62.100 -0.152 0.000 1.144 388 T CB -0.671 68.178 68.868 -0.031 0.000 0.864 388 T HN 0.477 nan 8.240 nan 0.000 0.444 389 A N 2.392 125.166 122.820 -0.077 0.000 1.823 389 A HA 0.126 4.450 4.320 0.007 0.000 0.214 389 A C 2.414 180.028 177.584 0.050 0.000 1.227 389 A CA 1.573 53.602 52.037 -0.013 0.000 0.616 389 A CB -1.142 17.878 19.000 0.032 0.000 0.874 389 A HN 0.559 nan 8.150 nan 0.000 0.455 390 I N -0.012 120.620 120.570 0.104 0.000 2.381 390 I HA -0.300 3.874 4.170 0.007 0.000 0.255 390 I C 2.389 178.637 176.117 0.219 0.000 1.140 390 I CA 1.999 63.397 61.300 0.163 0.000 1.404 390 I CB -0.550 37.561 38.000 0.185 0.000 1.075 390 I HN 0.641 nan 8.210 nan 0.000 0.433 391 F N 0.926 120.949 119.950 0.121 0.000 2.367 391 F HA -0.158 4.373 4.527 0.007 0.000 0.298 391 F C 2.554 178.419 175.800 0.108 0.000 1.094 391 F CA 1.168 59.203 58.000 0.059 0.000 1.409 391 F CB -0.649 38.335 39.000 -0.026 0.000 1.064 391 F HN 0.046 nan 8.300 nan 0.000 0.528 392 H N 1.272 120.192 119.070 -0.249 0.000 2.293 392 H HA -0.156 4.404 4.556 0.007 0.000 0.300 392 H C 2.529 177.984 175.328 0.211 0.000 1.082 392 H CA 2.396 58.418 56.048 -0.044 0.000 1.308 392 H CB -0.536 29.125 29.762 -0.168 0.000 1.375 392 H HN 0.317 nan 8.280 nan 0.000 0.495 393 R N -0.151 120.305 120.500 -0.074 0.000 2.122 393 R HA -0.186 4.158 4.340 0.007 0.000 0.236 393 R C 2.120 178.452 176.300 0.052 0.000 1.129 393 R CA 2.782 58.839 56.100 -0.072 0.000 0.925 393 R CB -0.912 29.440 30.300 0.088 0.000 0.850 393 R HN 0.459 nan 8.270 nan 0.000 0.431 394 T N 0.767 115.416 114.554 0.159 0.000 2.802 394 T HA -0.209 4.145 4.350 0.007 0.000 0.269 394 T C 1.380 176.262 174.700 0.303 0.000 1.062 394 T CA 1.633 63.853 62.100 0.201 0.000 1.133 394 T CB -0.359 68.620 68.868 0.184 0.000 0.852 394 T HN 0.282 nan 8.240 nan 0.000 0.485 395 F N 0.691 120.728 119.950 0.144 0.000 2.009 395 F HA -0.015 4.516 4.527 0.007 0.000 0.293 395 F C 2.302 178.244 175.800 0.236 0.000 1.156 395 F CA 0.743 58.836 58.000 0.154 0.000 1.168 395 F CB -0.170 38.913 39.000 0.138 0.000 0.981 395 F HN -0.033 nan 8.300 nan 0.000 0.475 396 I N -0.383 120.323 120.570 0.227 0.000 2.623 396 I HA -0.343 3.831 4.170 0.007 0.000 0.261 396 I C 2.344 178.676 176.117 0.359 0.000 1.204 396 I CA 1.013 62.419 61.300 0.177 0.000 1.444 396 I CB -0.130 37.803 38.000 -0.111 0.000 1.094 396 I HN 0.191 nan 8.210 nan 0.000 0.451 397 S N -0.056 115.826 115.700 0.302 0.000 2.371 397 S HA -0.222 4.252 4.470 0.007 0.000 0.224 397 S C 1.935 176.707 174.600 0.286 0.000 1.029 397 S CA 1.218 59.572 58.200 0.257 0.000 0.978 397 S CB -0.310 63.004 63.200 0.190 0.000 0.833 397 S HN 0.683 nan 8.310 nan 0.000 0.466 398 Y N 0.300 120.734 120.300 0.223 0.000 2.315 398 Y HA -0.153 4.401 4.550 0.007 0.000 0.288 398 Y C 1.833 177.833 175.900 0.168 0.000 1.154 398 Y CA 1.547 59.767 58.100 0.200 0.000 1.229 398 Y CB -0.895 37.735 38.460 0.284 0.000 0.980 398 Y HN 0.526 nan 8.280 nan 0.000 0.540 399 W N 0.382 121.539 121.300 -0.237 0.000 2.413 399 W HA -0.111 4.553 4.660 0.006 0.000 0.315 399 W C 2.269 178.614 176.519 -0.289 0.000 1.186 399 W CA 2.631 59.725 57.345 -0.418 0.000 1.326 399 W CB -0.904 28.529 29.460 -0.046 0.000 1.153 399 W HN -0.097 nan 8.180 nan 0.000 0.489 400 V N 1.475 121.271 119.914 -0.197 0.000 2.233 400 V HA -0.304 3.820 4.120 0.007 0.000 0.247 400 V C 2.444 178.293 176.094 -0.408 0.000 1.050 400 V CA 2.337 64.320 62.300 -0.528 0.000 1.010 400 V CB -1.246 30.597 31.823 0.032 0.000 0.637 400 V HN 0.366 nan 8.190 nan 0.000 0.444 401 L N 0.711 121.816 121.223 -0.198 0.000 1.951 401 L HA -0.058 4.286 4.340 0.007 0.000 0.222 401 L C 2.053 178.768 176.870 -0.259 0.000 1.078 401 L CA 2.827 57.568 54.840 -0.165 0.000 0.778 401 L CB -1.657 40.360 42.059 -0.070 0.000 0.893 401 L HN 0.339 nan 8.230 nan 0.000 0.436 402 G N -0.520 108.078 108.800 -0.335 0.000 2.480 402 G HA2 -0.222 3.743 3.960 0.007 0.000 0.169 402 G HA3 -0.222 3.743 3.960 0.007 0.000 0.169 402 G C 1.386 176.000 174.900 -0.478 0.000 1.566 402 G CA 1.010 45.867 45.100 -0.405 0.000 0.887 402 G HN 0.520 nan 8.290 nan 0.000 0.423 403 L N 1.246 122.044 121.223 -0.708 0.000 2.114 403 L HA -0.250 4.094 4.340 0.007 0.000 0.245 403 L C 0.494 177.129 176.870 -0.392 0.000 1.114 403 L CA 2.641 57.137 54.840 -0.573 0.000 0.843 403 L CB -1.805 39.811 42.059 -0.739 0.000 0.945 403 L HN 0.255 nan 8.230 nan 0.000 0.446 404 P HA -0.181 nan 4.420 nan 0.000 0.218 404 P C 1.340 178.429 177.300 -0.353 0.000 1.147 404 P CA 1.951 64.782 63.100 -0.449 0.000 0.827 404 P CB -0.015 31.377 31.700 -0.513 0.000 0.778 405 T N -2.995 111.383 114.554 -0.292 0.000 3.056 405 T HA 0.118 4.472 4.350 0.007 0.000 0.241 405 T C 1.925 176.545 174.700 -0.133 0.000 1.006 405 T CA 0.854 62.831 62.100 -0.203 0.000 1.115 405 T CB -0.763 68.009 68.868 -0.159 0.000 0.939 405 T HN 0.086 nan 8.240 nan 0.000 0.462 406 G N 0.172 108.907 108.800 -0.107 0.000 2.408 406 G HA2 -0.169 3.796 3.960 0.007 0.000 0.217 406 G HA3 -0.169 3.796 3.960 0.007 0.000 0.217 406 G C 1.287 176.250 174.900 0.104 0.000 1.150 406 G CA 0.434 45.546 45.100 0.020 0.000 0.776 406 G HN 0.571 nan 8.290 nan 0.000 0.542 407 Y N 0.811 120.999 120.300 -0.188 0.000 2.089 407 Y HA -0.062 4.492 4.550 0.007 0.000 0.282 407 Y C 2.435 178.001 175.900 -0.556 0.000 1.139 407 Y CA 0.876 58.700 58.100 -0.461 0.000 1.123 407 Y CB -0.054 38.056 38.460 -0.583 0.000 0.980 407 Y HN 0.078 nan 8.280 nan 0.000 0.493 408 I N 1.055 121.412 120.570 -0.356 0.000 3.241 408 I HA -0.234 3.940 4.170 0.007 0.000 0.280 408 I C 1.689 177.674 176.117 -0.220 0.000 1.320 408 I CA 0.175 61.226 61.300 -0.416 0.000 1.413 408 I CB -0.044 37.741 38.000 -0.357 0.000 1.060 408 I HN 0.458 nan 8.210 nan 0.000 0.500 409 L N 0.158 121.310 121.223 -0.118 0.000 2.286 409 L HA 0.201 4.545 4.340 0.007 0.000 0.203 409 L C 2.357 179.250 176.870 0.037 0.000 1.068 409 L CA 1.458 56.291 54.840 -0.012 0.000 0.811 409 L CB -1.103 40.979 42.059 0.038 0.000 0.989 409 L HN 0.193 nan 8.230 nan 0.000 0.467 410 G N -0.193 108.651 108.800 0.073 0.000 2.422 410 G HA2 -0.245 3.719 3.960 0.007 0.000 0.218 410 G HA3 -0.245 3.719 3.960 0.007 0.000 0.218 410 G C 1.456 176.289 174.900 -0.110 0.000 1.140 410 G CA 0.437 45.620 45.100 0.139 0.000 0.775 410 G HN 0.320 nan 8.290 nan 0.000 0.545 411 M N 0.584 119.884 119.600 -0.500 0.000 2.659 411 M HA 0.058 4.542 4.480 0.007 0.000 0.243 411 M C 2.357 178.666 176.300 0.016 0.000 1.111 411 M CA 0.550 55.465 55.300 -0.643 0.000 1.070 411 M CB 0.136 32.161 32.600 -0.958 0.000 1.525 411 M HN 0.142 nan 8.290 nan 0.000 0.517 412 T N 0.476 115.058 114.554 0.047 0.000 3.055 412 T HA -0.065 4.289 4.350 0.007 0.000 0.265 412 T C 1.445 176.249 174.700 0.173 0.000 1.111 412 T CA 1.291 63.439 62.100 0.081 0.000 1.118 412 T CB -0.185 68.714 68.868 0.051 0.000 0.909 412 T HN 0.478 nan 8.240 nan 0.000 0.501 413 N N 0.363 119.241 118.700 0.297 0.000 2.142 413 N HA -0.084 4.661 4.740 0.007 0.000 0.186 413 N C 1.232 176.963 175.510 0.368 0.000 1.023 413 N CA 1.134 54.384 53.050 0.332 0.000 0.852 413 N CB -0.558 38.213 38.487 0.474 0.000 0.998 413 N HN 0.569 nan 8.380 nan 0.000 0.424 414 W N 0.331 121.627 121.300 -0.008 0.000 3.377 414 W HA 0.089 4.753 4.660 0.006 0.000 0.284 414 W C 0.689 177.185 176.519 -0.039 0.000 1.324 414 W CA -0.481 56.844 57.345 -0.032 0.000 1.568 414 W CB 0.122 29.545 29.460 -0.062 0.000 1.028 414 W HN 0.230 nan 8.180 nan 0.000 0.753 415 L N -2.000 119.339 121.223 0.193 0.000 1.544 415 L HA -0.057 4.288 4.340 0.007 0.000 0.069 415 L C 1.810 178.721 176.870 0.068 0.000 1.641 415 L CA 1.017 55.916 54.840 0.097 0.000 1.024 415 L CB -0.543 41.557 42.059 0.067 0.000 1.943 415 L HN -0.316 nan 8.230 nan 0.000 0.418 416 T N 0.743 115.336 114.554 0.065 0.000 2.558 416 T HA 0.131 4.485 4.350 0.007 0.000 0.247 416 T C 0.033 174.771 174.700 0.063 0.000 1.146 416 T CA 0.829 62.960 62.100 0.052 0.000 1.289 416 T CB 0.112 69.009 68.868 0.048 0.000 0.905 416 T HN 0.402 nan 8.240 nan 0.000 0.397 417 E N -0.429 119.820 120.200 0.081 0.000 2.369 417 E HA 0.291 4.646 4.350 0.007 0.000 0.279 417 E C -1.905 174.758 176.600 0.104 0.000 1.179 417 E CA -0.552 55.901 56.400 0.089 0.000 0.919 417 E CB 1.303 31.037 29.700 0.057 0.000 1.253 417 E HN 0.200 nan 8.360 nan 0.000 0.421 418 Q N 0.590 120.456 119.800 0.109 0.000 2.268 418 Q HA 0.384 4.728 4.340 0.007 0.000 0.266 418 Q C -2.325 173.724 176.000 0.081 0.000 1.006 418 Q CA -1.571 54.300 55.803 0.112 0.000 0.824 418 Q CB 2.086 30.926 28.738 0.170 0.000 1.306 418 Q HN 0.080 nan 8.270 nan 0.000 0.424 419 P HA 0.124 nan 4.420 nan 0.000 0.271 419 P C -0.645 176.684 177.300 0.047 0.000 1.535 419 P CA 0.326 63.455 63.100 0.048 0.000 0.820 419 P CB 0.224 31.950 31.700 0.044 0.000 1.606 420 L N -1.896 119.365 121.223 0.064 0.000 5.509 420 L HA 0.042 4.386 4.340 0.007 0.000 0.238 420 L C 0.802 177.741 176.870 0.115 0.000 1.157 420 L CA 0.245 55.122 54.840 0.062 0.000 0.823 420 L CB -0.387 41.693 42.059 0.035 0.000 1.529 420 L HN 0.147 nan 8.230 nan 0.000 0.295 421 G N 2.219 111.142 108.800 0.204 0.000 2.459 421 G HA2 0.169 4.133 3.960 0.007 0.000 0.213 421 G HA3 0.169 4.133 3.960 0.007 0.000 0.213 421 G C 1.337 176.437 174.900 0.332 0.000 1.155 421 G CA 1.122 46.473 45.100 0.418 0.000 0.811 421 G HN 0.901 nan 8.290 nan 0.000 0.534 422 A N 2.165 125.117 122.820 0.220 0.000 1.849 422 A HA -0.140 4.184 4.320 0.007 0.000 0.217 422 A C 2.267 179.569 177.584 -0.469 0.000 1.202 422 A CA 2.609 54.606 52.037 -0.065 0.000 0.629 422 A CB -0.674 18.271 19.000 -0.091 0.000 0.834 422 A HN 0.475 nan 8.150 nan 0.000 0.447 423 K N -0.526 119.738 120.400 -0.228 0.000 2.032 423 K HA -0.074 4.250 4.320 0.007 0.000 0.209 423 K C 1.996 178.502 176.600 -0.157 0.000 1.048 423 K CA 1.868 58.051 56.287 -0.173 0.000 0.927 423 K CB -1.125 31.354 32.500 -0.035 0.000 0.712 423 K HN 0.315 nan 8.250 nan 0.000 0.441 424 G N 2.038 110.817 108.800 -0.035 0.000 2.672 424 G HA2 -0.361 3.603 3.960 0.007 0.000 0.218 424 G HA3 -0.361 3.603 3.960 0.007 0.000 0.218 424 G C 1.429 176.369 174.900 0.066 0.000 1.238 424 G CA 1.455 46.591 45.100 0.061 0.000 0.791 424 G HN 0.632 nan 8.290 nan 0.000 0.606 425 F N -1.522 118.407 119.950 -0.035 0.000 2.546 425 F HA 0.213 4.745 4.527 0.007 0.000 0.298 425 F C 2.223 178.104 175.800 0.135 0.000 1.120 425 F CA 0.066 58.042 58.000 -0.040 0.000 1.456 425 F CB -0.333 38.535 39.000 -0.220 0.000 1.088 425 F HN 0.266 nan 8.300 nan 0.000 0.572 426 W N 1.153 121.989 121.300 -0.774 0.000 2.378 426 W HA -0.160 4.505 4.660 0.007 0.000 0.313 426 W C 2.504 179.111 176.519 0.147 0.000 1.197 426 W CA 1.058 57.934 57.345 -0.783 0.000 1.304 426 W CB -0.152 28.259 29.460 -1.748 0.000 1.148 426 W HN 0.220 nan 8.180 nan 0.000 0.494 427 L N 0.441 121.915 121.223 0.419 0.000 2.083 427 L HA -0.049 4.295 4.340 0.007 0.000 0.209 427 L C 2.278 179.395 176.870 0.412 0.000 1.083 427 L CA 2.222 57.373 54.840 0.518 0.000 0.752 427 L CB -1.158 41.093 42.059 0.319 0.000 0.899 427 L HN 0.008 nan 8.230 nan 0.000 0.433 428 G N -0.280 108.718 108.800 0.330 0.000 2.469 428 G HA2 -0.372 3.592 3.960 0.007 0.000 0.220 428 G HA3 -0.372 3.592 3.960 0.007 0.000 0.220 428 G C 1.381 176.457 174.900 0.293 0.000 1.136 428 G CA 0.975 46.230 45.100 0.258 0.000 0.759 428 G HN 0.469 nan 8.290 nan 0.000 0.562 429 F N 1.186 121.357 119.950 0.368 0.000 2.171 429 F HA -0.002 4.529 4.527 0.007 0.000 0.300 429 F C 2.458 178.457 175.800 0.332 0.000 1.090 429 F CA 0.188 58.423 58.000 0.390 0.000 1.293 429 F CB -0.064 39.303 39.000 0.610 0.000 1.013 429 F HN 0.009 nan 8.300 nan 0.000 0.486 430 I N 0.278 121.224 120.570 0.627 0.000 2.208 430 I HA -0.303 3.872 4.170 0.007 0.000 0.245 430 I C 2.344 178.632 176.117 0.285 0.000 1.097 430 I CA 1.104 62.646 61.300 0.404 0.000 1.363 430 I CB -1.132 37.041 38.000 0.289 0.000 1.051 430 I HN 0.087 nan 8.210 nan 0.000 0.413 431 I N 0.639 121.344 120.570 0.225 0.000 2.700 431 I HA -0.166 4.008 4.170 0.007 0.000 0.261 431 I C 2.474 178.654 176.117 0.105 0.000 1.219 431 I CA 1.102 62.480 61.300 0.131 0.000 1.463 431 I CB -1.884 36.164 38.000 0.080 0.000 1.092 431 I HN 0.171 nan 8.210 nan 0.000 0.452 432 G N 1.021 109.893 108.800 0.120 0.000 2.499 432 G HA2 -0.129 3.835 3.960 0.007 0.000 0.213 432 G HA3 -0.129 3.835 3.960 0.007 0.000 0.213 432 G C 1.534 176.703 174.900 0.448 0.000 1.230 432 G CA 0.063 45.142 45.100 -0.036 0.000 0.813 432 G HN 0.201 nan 8.290 nan 0.000 0.542 433 L N 1.592 123.218 121.223 0.673 0.000 2.137 433 L HA -0.114 4.230 4.340 0.007 0.000 0.213 433 L C 3.117 180.139 176.870 0.254 0.000 1.085 433 L CA 1.626 56.752 54.840 0.476 0.000 0.760 433 L CB -0.739 41.391 42.059 0.118 0.000 0.893 433 L HN 0.173 nan 8.230 nan 0.000 0.434 434 S N -0.676 115.151 115.700 0.213 0.000 2.363 434 S HA -0.245 4.229 4.470 0.007 0.000 0.218 434 S C 2.179 176.856 174.600 0.128 0.000 1.035 434 S CA 1.329 59.605 58.200 0.127 0.000 1.043 434 S CB -0.704 62.562 63.200 0.110 0.000 0.986 434 S HN 0.536 nan 8.310 nan 0.000 0.423 435 A N 1.792 124.704 122.820 0.154 0.000 1.927 435 A HA -0.084 4.240 4.320 0.007 0.000 0.220 435 A C 2.305 179.991 177.584 0.170 0.000 1.185 435 A CA 2.166 54.286 52.037 0.139 0.000 0.639 435 A CB -1.358 17.722 19.000 0.132 0.000 0.820 435 A HN 0.554 nan 8.150 nan 0.000 0.451 436 A N -0.171 122.826 122.820 0.294 0.000 1.829 436 A HA 0.078 4.402 4.320 0.007 0.000 0.216 436 A C 2.611 180.207 177.584 0.020 0.000 1.207 436 A CA 2.890 55.045 52.037 0.197 0.000 0.622 436 A CB -1.525 17.535 19.000 0.101 0.000 0.846 436 A HN 1.410 nan 8.150 nan 0.000 0.447 437 A N -0.654 122.159 122.820 -0.012 0.000 1.929 437 A HA -0.253 4.071 4.320 0.007 0.000 0.221 437 A C 2.299 179.847 177.584 -0.061 0.000 1.211 437 A CA 2.122 54.117 52.037 -0.069 0.000 0.657 437 A CB -0.845 18.126 19.000 -0.050 0.000 0.827 437 A HN 0.862 nan 8.150 nan 0.000 0.462 438 L N -1.752 119.461 121.223 -0.018 0.000 2.156 438 L HA -0.104 4.240 4.340 0.007 0.000 0.208 438 L C 2.548 179.401 176.870 -0.028 0.000 1.095 438 L CA 1.128 55.954 54.840 -0.024 0.000 0.770 438 L CB -0.189 41.870 42.059 -0.000 0.000 0.914 438 L HN 0.334 nan 8.230 nan 0.000 0.439 439 M N -0.559 119.040 119.600 -0.002 0.000 2.117 439 M HA -0.180 4.304 4.480 0.007 0.000 0.262 439 M C 2.057 178.337 176.300 -0.032 0.000 1.065 439 M CA 1.493 56.798 55.300 0.008 0.000 1.114 439 M CB -0.660 31.981 32.600 0.068 0.000 1.361 439 M HN 0.287 nan 8.290 nan 0.000 0.408 440 L N -1.427 119.745 121.223 -0.084 0.000 2.240 440 L HA 0.029 4.373 4.340 0.007 0.000 0.211 440 L C 2.526 179.311 176.870 -0.142 0.000 1.106 440 L CA 1.398 56.150 54.840 -0.147 0.000 0.793 440 L CB -2.382 39.507 42.059 -0.283 0.000 0.927 440 L HN 0.287 nan 8.230 nan 0.000 0.446 441 G N -0.840 107.884 108.800 -0.127 0.000 2.471 441 G HA2 -0.272 3.692 3.960 0.007 0.000 0.219 441 G HA3 -0.272 3.692 3.960 0.007 0.000 0.219 441 G C 1.533 176.354 174.900 -0.133 0.000 1.125 441 G CA 0.338 45.358 45.100 -0.133 0.000 0.775 441 G HN 0.433 nan 8.290 nan 0.000 0.548 442 Q N -0.301 119.433 119.800 -0.110 0.000 2.389 442 Q HA 0.041 4.385 4.340 0.007 0.000 0.204 442 Q C 1.746 177.660 176.000 -0.144 0.000 0.944 442 Q CA 0.110 55.840 55.803 -0.122 0.000 0.908 442 Q CB 0.162 28.845 28.738 -0.093 0.000 1.002 442 Q HN 0.239 nan 8.270 nan 0.000 0.493 443 R N 1.434 121.877 120.500 -0.094 0.000 3.351 443 R HA 0.136 4.480 4.340 0.007 0.000 0.296 443 R C -0.751 175.537 176.300 -0.020 0.000 1.427 443 R CA -0.229 55.857 56.100 -0.023 0.000 1.257 443 R CB -0.788 29.540 30.300 0.048 0.000 1.378 443 R HN 0.146 nan 8.270 nan 0.000 0.610 444 L N 2.662 123.825 121.223 -0.100 0.000 2.363 444 L HA 0.131 4.475 4.340 0.007 0.000 0.286 444 L C -0.287 176.573 176.870 -0.016 0.000 1.106 444 L CA 0.502 55.239 54.840 -0.171 0.000 0.859 444 L CB -0.515 41.365 42.059 -0.298 0.000 1.223 444 L HN 0.530 nan 8.230 nan 0.000 0.446 445 Y N 5.098 125.448 120.300 0.083 0.000 3.651 445 Y HA -0.396 4.158 4.550 0.007 0.000 0.418 445 Y C 1.602 177.686 175.900 0.306 0.000 1.085 445 Y CA 1.923 60.120 58.100 0.161 0.000 2.515 445 Y CB -1.569 36.964 38.460 0.122 0.000 0.884 445 Y HN 0.928 nan 8.280 nan 0.000 0.517 446 W N -1.393 120.026 121.300 0.199 0.000 0.884 446 W HA -0.321 4.343 4.660 0.007 0.000 0.223 446 W C 0.374 176.953 176.519 0.100 0.000 0.938 446 W CA 2.943 60.357 57.345 0.114 0.000 0.355 446 W CB -1.540 27.980 29.460 0.101 0.000 1.935 446 W HN 0.457 nan 8.180 nan 0.000 1.232 447 L N -1.715 119.776 121.223 0.446 0.000 4.639 447 L HA 0.496 4.840 4.340 0.007 0.000 0.462 447 L C 0.263 177.292 176.870 0.264 0.000 1.019 447 L CA 0.659 55.694 54.840 0.324 0.000 1.733 447 L CB -1.295 40.992 42.059 0.380 0.000 1.673 447 L HN 0.075 nan 8.230 nan 0.000 0.613 448 Q N 1.290 121.304 119.800 0.356 0.000 0.581 448 Q HA 0.011 4.355 4.340 0.007 0.000 0.257 448 Q C -0.593 175.449 176.000 0.070 0.000 1.086 448 Q CA 1.562 57.497 55.803 0.220 0.000 0.461 448 Q CB -0.615 28.188 28.738 0.108 0.000 5.200 448 Q HN 0.667 nan 8.270 nan 0.000 0.315 449 K N 1.210 121.540 120.400 -0.116 0.000 2.358 449 K HA 0.605 4.929 4.320 0.007 0.000 0.260 449 K C -0.428 176.126 176.600 -0.076 0.000 0.956 449 K CA -0.850 55.388 56.287 -0.081 0.000 0.834 449 K CB 2.079 34.475 32.500 -0.173 0.000 1.102 449 K HN 0.438 nan 8.250 nan 0.000 0.431 450 Q N 1.910 121.678 119.800 -0.053 0.000 3.078 450 Q HA 0.116 4.460 4.340 0.007 0.000 0.202 450 Q C 1.022 176.975 176.000 -0.077 0.000 1.165 450 Q CA -0.301 55.470 55.803 -0.053 0.000 0.377 450 Q CB -0.815 27.908 28.738 -0.026 0.000 5.614 450 Q HN 0.717 nan 8.270 nan 0.000 0.305 451 S N -0.089 115.571 115.700 -0.067 0.000 2.710 451 S HA 0.038 4.512 4.470 0.007 0.000 0.224 451 S C -0.119 174.420 174.600 -0.102 0.000 0.948 451 S CA 0.088 58.239 58.200 -0.082 0.000 0.949 451 S CB -0.271 62.895 63.200 -0.058 0.000 0.778 451 S HN 0.278 nan 8.310 nan 0.000 0.498 452 D N 2.429 122.766 120.400 -0.106 0.000 2.348 452 D HA -0.041 4.603 4.640 0.007 0.000 0.211 452 D C 1.736 177.930 176.300 -0.177 0.000 0.998 452 D CA 0.729 54.656 54.000 -0.120 0.000 0.873 452 D CB -0.222 40.521 40.800 -0.095 0.000 0.925 452 D HN 0.701 nan 8.370 nan 0.000 0.524 453 D N 0.882 121.147 120.400 -0.226 0.000 2.117 453 D HA -0.135 4.509 4.640 0.007 0.000 0.197 453 D C 1.903 177.777 176.300 -0.709 0.000 0.987 453 D CA 0.506 54.269 54.000 -0.396 0.000 0.829 453 D CB -0.491 40.084 40.800 -0.375 0.000 0.961 453 D HN 0.099 nan 8.370 nan 0.000 0.460 454 V N 0.363 119.995 119.914 -0.471 0.000 3.305 454 V HA -0.123 4.001 4.120 0.007 0.000 0.269 454 V C 2.161 178.149 176.094 -0.176 0.000 1.157 454 V CA 1.077 63.181 62.300 -0.327 0.000 1.157 454 V CB -0.234 31.516 31.823 -0.122 0.000 0.772 454 V HN 0.067 nan 8.190 nan 0.000 0.498 455 Q N -0.405 119.286 119.800 -0.181 0.000 2.297 455 Q HA 0.056 4.400 4.340 0.007 0.000 0.204 455 Q C 1.863 177.817 176.000 -0.077 0.000 0.962 455 Q CA 1.226 56.964 55.803 -0.109 0.000 0.879 455 Q CB 0.053 28.720 28.738 -0.118 0.000 0.947 455 Q HN 0.599 nan 8.270 nan 0.000 0.462 456 L N -1.181 119.974 121.223 -0.114 0.000 2.567 456 L HA 0.035 4.379 4.340 0.007 0.000 0.225 456 L C 0.907 177.931 176.870 0.256 0.000 1.119 456 L CA 0.420 55.281 54.840 0.035 0.000 0.871 456 L CB -0.068 42.020 42.059 0.048 0.000 1.036 456 L HN 0.263 nan 8.230 nan 0.000 0.459 457 H N -1.685 117.368 119.070 -0.028 0.000 2.893 457 H HA 0.177 4.737 4.556 0.007 0.000 0.270 457 H C 0.957 176.266 175.328 -0.031 0.000 1.095 457 H CA -0.333 55.696 56.048 -0.033 0.000 1.186 457 H CB 1.226 30.960 29.762 -0.046 0.000 1.562 457 H HN 0.094 nan 8.280 nan 0.000 0.536 458 L N -0.164 121.099 121.223 0.067 0.000 2.858 458 L HA 0.353 4.697 4.340 0.007 0.000 0.251 458 L C 1.670 178.545 176.870 0.008 0.000 1.149 458 L CA 0.423 55.275 54.840 0.020 0.000 0.955 458 L CB 0.829 42.884 42.059 -0.008 0.000 1.289 458 L HN 0.220 nan 8.230 nan 0.000 0.542 459 A N -1.715 121.118 122.820 0.021 0.000 2.358 459 A HA 0.670 4.995 4.320 0.007 0.000 0.223 459 A C 1.830 179.429 177.584 0.024 0.000 1.218 459 A CA 0.774 52.818 52.037 0.012 0.000 0.942 459 A CB 0.137 19.140 19.000 0.006 0.000 1.005 459 A HN 0.159 nan 8.150 nan 0.000 0.514 460 A N -0.915 121.933 122.820 0.045 0.000 2.070 460 A HA 0.519 4.843 4.320 0.007 0.000 0.202 460 A C 0.921 178.504 177.584 -0.002 0.000 1.277 460 A CA 1.082 53.138 52.037 0.032 0.000 0.872 460 A CB 0.051 19.088 19.000 0.062 0.000 0.933 460 A HN 0.378 nan 8.150 nan 0.000 0.475 461 K N 0.000 120.405 120.400 0.009 0.000 2.780 461 K HA 0.000 4.324 4.320 0.007 0.000 0.191 461 K CA 0.000 56.280 56.287 -0.011 0.000 0.838 461 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 461 K HN 0.000 nan 8.250 nan 0.000 0.543