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 1lvl_1_A DATA FIRST_RESID 1 DATA SEQUENCE QQTIQTTLLI IGGGPGGYVA AIRAGQLGIP TVLVEGQALG GTcLNIGcIP DATA SEQUENCE SKALIHVAEQ FHQASRFTEP SPLGISVASP RLDIGQSVAW KDGIVDRLTT DATA SEQUENCE GVAALLKKHG VKVVHGWAKV LDGKQVEVDG QRIQCEHLLL ATGSSSVELP DATA SEQUENCE MLPLGGPVIS STEALAPKAL PQHLVVVGGG YIGLELGIAY RKLGAQVSVV DATA SEQUENCE EARERILPTY DSELTAPVAE SLKKLGIALH LGHSVEGYEN GCLLANDGKG DATA SEQUENCE GQLRLEADRV LVAVGRRPRT KGFNLECLDL KMNGAAIAID ERCQTSMHNV DATA SEQUENCE WAIGDVAGEP MLAHRAMAQG EMVAEIIAGK ARRFEPAAIA AVCFTDPEVV DATA SEQUENCE VVGKTPEQAS QQGLDCIVAQ FPFAANGRAM SLESKSGFVR VVARRDNHLI DATA SEQUENCE LGWQAVGVAV SELSTAFAQS LEMGACLEDV AGTIHAHPTL GEAVQEAALR DATA SEQUENCE ALGHALHI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.004 176.000 0.007 0.000 1.003 1 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 1 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 2 Q N 0.423 120.227 119.800 0.006 0.000 2.297 2 Q HA 0.555 4.895 4.340 -0.000 0.000 0.268 2 Q C -0.608 175.397 176.000 0.007 0.000 1.045 2 Q CA -0.563 55.244 55.803 0.006 0.000 0.861 2 Q CB 0.581 29.321 28.738 0.005 0.000 1.344 2 Q HN 0.525 nan 8.270 nan 0.000 0.452 3 T N 2.304 116.862 114.554 0.008 0.000 2.778 3 T HA 0.115 4.465 4.350 -0.000 0.000 0.282 3 T C 0.228 174.932 174.700 0.007 0.000 0.983 3 T CA 0.202 62.307 62.100 0.009 0.000 1.193 3 T CB -0.481 68.392 68.868 0.009 0.000 0.938 3 T HN 0.313 nan 8.240 nan 0.000 0.523 4 I N 3.773 124.348 120.570 0.008 0.000 2.519 4 I HA 0.291 4.461 4.170 -0.000 0.000 0.287 4 I C 0.487 176.609 176.117 0.009 0.000 1.047 4 I CA 0.184 61.488 61.300 0.007 0.000 1.381 4 I CB 1.134 39.137 38.000 0.006 0.000 1.417 4 I HN 0.544 nan 8.210 nan 0.000 0.540 5 Q N 3.929 123.735 119.800 0.008 0.000 2.285 5 Q HA 0.637 4.977 4.340 -0.000 0.000 0.269 5 Q C -1.252 174.754 176.000 0.011 0.000 1.030 5 Q CA -0.548 55.261 55.803 0.010 0.000 0.788 5 Q CB 1.765 30.509 28.738 0.009 0.000 1.266 5 Q HN 0.852 nan 8.270 nan 0.000 0.438 6 T N -0.326 114.237 114.554 0.015 0.000 2.724 6 T HA 0.458 4.807 4.350 -0.000 0.000 0.274 6 T C 0.493 175.209 174.700 0.026 0.000 0.984 6 T CA -0.425 61.686 62.100 0.018 0.000 1.024 6 T CB 1.224 70.103 68.868 0.020 0.000 1.320 6 T HN 0.444 nan 8.240 nan 0.000 0.555 7 T N 0.182 114.757 114.554 0.035 0.000 2.988 7 T HA 0.311 4.661 4.350 -0.000 0.000 0.240 7 T C 0.286 175.041 174.700 0.091 0.000 1.014 7 T CA 0.045 62.183 62.100 0.063 0.000 1.155 7 T CB -0.011 68.896 68.868 0.066 0.000 0.872 7 T HN 0.323 nan 8.240 nan 0.000 0.440 8 L N 2.193 123.452 121.223 0.060 0.000 2.349 8 L HA 0.595 4.935 4.340 -0.000 0.000 0.278 8 L C -1.554 175.338 176.870 0.037 0.000 0.996 8 L CA -0.702 54.173 54.840 0.059 0.000 0.825 8 L CB 1.607 43.662 42.059 -0.007 0.000 1.243 8 L HN 0.242 nan 8.230 nan 0.000 0.412 9 L N 5.915 127.172 121.223 0.057 0.000 2.329 9 L HA 0.586 4.926 4.340 -0.000 0.000 0.279 9 L C -0.963 175.931 176.870 0.041 0.000 1.014 9 L CA -0.630 54.233 54.840 0.039 0.000 0.814 9 L CB 2.101 44.186 42.059 0.043 0.000 1.257 9 L HN 0.610 nan 8.230 nan 0.000 0.424 10 I N 5.147 125.725 120.570 0.014 0.000 2.466 10 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 10 I C -0.575 175.529 176.117 -0.021 0.000 1.026 10 I CA -0.561 60.741 61.300 0.003 0.000 1.078 10 I CB 2.244 40.237 38.000 -0.012 0.000 1.249 10 I HN 0.344 nan 8.210 nan 0.000 0.429 11 I N 5.256 125.806 120.570 -0.033 0.000 2.307 11 I HA 0.547 4.717 4.170 -0.000 0.000 0.289 11 I C 0.595 176.649 176.117 -0.105 0.000 1.021 11 I CA -0.055 61.192 61.300 -0.089 0.000 1.224 11 I CB 0.359 38.288 38.000 -0.119 0.000 1.376 11 I HN 0.826 nan 8.210 nan 0.000 0.470 12 G N 4.194 112.924 108.800 -0.117 0.000 3.067 12 G HA2 0.038 3.998 3.960 -0.000 0.000 0.686 12 G HA3 0.038 3.998 3.960 -0.000 0.000 0.686 12 G C 0.001 174.860 174.900 -0.069 0.000 1.119 12 G CA -0.465 44.575 45.100 -0.101 0.000 0.790 12 G HN 1.011 nan 8.290 nan 0.000 0.605 13 G N 0.603 109.369 108.800 -0.057 0.000 4.331 13 G HA2 0.720 4.680 3.960 -0.000 0.000 0.299 13 G HA3 0.720 4.680 3.960 -0.000 0.000 0.299 13 G C 0.689 175.617 174.900 0.047 0.000 1.158 13 G CA 0.924 46.028 45.100 0.007 0.000 0.916 13 G HN 1.361 nan 8.290 nan 0.000 0.553 14 G N 0.104 108.868 108.800 -0.061 0.000 2.642 14 G HA2 0.543 4.503 3.960 -0.000 0.000 0.291 14 G HA3 0.543 4.503 3.960 -0.000 0.000 0.291 14 G C -1.096 173.529 174.900 -0.458 0.000 1.345 14 G CA -1.312 43.708 45.100 -0.135 0.000 1.043 14 G HN -0.071 nan 8.290 nan 0.000 0.528 15 P HA -0.228 nan 4.420 nan 0.000 0.222 15 P C 1.917 178.875 177.300 -0.570 0.000 1.157 15 P CA 2.412 65.056 63.100 -0.761 0.000 0.905 15 P CB 0.087 31.590 31.700 -0.327 0.000 0.792 16 G N -1.661 106.946 108.800 -0.322 0.000 2.408 16 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.215 16 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.215 16 G C 1.689 176.488 174.900 -0.170 0.000 1.156 16 G CA 0.824 45.803 45.100 -0.202 0.000 0.793 16 G HN 0.394 nan 8.290 nan 0.000 0.535 17 G N 0.685 109.382 108.800 -0.172 0.000 2.454 17 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.214 17 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.214 17 G C 1.724 176.614 174.900 -0.016 0.000 1.217 17 G CA 1.208 46.258 45.100 -0.084 0.000 0.799 17 G HN 0.534 nan 8.290 nan 0.000 0.538 18 Y N 0.734 121.010 120.300 -0.039 0.000 2.403 18 Y HA 0.119 4.669 4.550 -0.000 0.000 0.291 18 Y C 2.200 178.072 175.900 -0.047 0.000 1.143 18 Y CA 0.497 58.574 58.100 -0.038 0.000 1.257 18 Y CB -0.936 37.507 38.460 -0.029 0.000 0.984 18 Y HN 0.037 nan 8.280 nan 0.000 0.550 19 V N 0.694 120.712 119.914 0.173 0.000 2.951 19 V HA -0.030 4.090 4.120 -0.000 0.000 0.255 19 V C 2.678 178.772 176.094 -0.000 0.000 1.088 19 V CA 1.072 63.435 62.300 0.107 0.000 1.109 19 V CB -0.870 30.977 31.823 0.040 0.000 0.724 19 V HN 0.591 nan 8.190 nan 0.000 0.471 20 A N 0.326 123.125 122.820 -0.036 0.000 1.898 20 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 20 A C 2.409 179.958 177.584 -0.058 0.000 1.181 20 A CA 1.794 53.790 52.037 -0.069 0.000 0.620 20 A CB -0.660 18.290 19.000 -0.084 0.000 0.819 20 A HN 0.508 nan 8.150 nan 0.000 0.442 21 A N 0.437 123.244 122.820 -0.021 0.000 1.829 21 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 21 A C 2.090 179.651 177.584 -0.038 0.000 1.207 21 A CA 1.672 53.701 52.037 -0.014 0.000 0.622 21 A CB -0.956 18.060 19.000 0.026 0.000 0.846 21 A HN 0.473 nan 8.150 nan 0.000 0.447 22 I N -1.019 119.528 120.570 -0.040 0.000 2.091 22 I HA -0.355 3.815 4.170 -0.000 0.000 0.240 22 I C 2.837 178.822 176.117 -0.221 0.000 1.046 22 I CA 1.895 63.101 61.300 -0.157 0.000 1.306 22 I CB -0.412 37.511 38.000 -0.128 0.000 1.018 22 I HN 0.306 nan 8.210 nan 0.000 0.404 23 R N 0.416 120.830 120.500 -0.143 0.000 2.115 23 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 23 R C 2.268 178.500 176.300 -0.113 0.000 1.111 23 R CA 1.432 57.452 56.100 -0.134 0.000 0.976 23 R CB -0.355 29.888 30.300 -0.095 0.000 0.870 23 R HN 0.446 nan 8.270 nan 0.000 0.445 24 A N 0.133 122.894 122.820 -0.099 0.000 1.897 24 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 24 A C 2.341 179.892 177.584 -0.055 0.000 1.181 24 A CA 1.463 53.448 52.037 -0.086 0.000 0.620 24 A CB -0.912 18.033 19.000 -0.091 0.000 0.821 24 A HN 0.406 nan 8.150 nan 0.000 0.443 25 G N -0.505 108.272 108.800 -0.039 0.000 2.491 25 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 25 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 25 G C 1.602 176.521 174.900 0.032 0.000 1.180 25 G CA 1.183 46.293 45.100 0.016 0.000 0.774 25 G HN 0.620 nan 8.290 nan 0.000 0.562 26 Q N -0.393 119.381 119.800 -0.044 0.000 2.077 26 Q HA 0.002 4.342 4.340 -0.000 0.000 0.206 26 Q C 2.574 178.572 176.000 -0.003 0.000 0.989 26 Q CA 1.061 56.856 55.803 -0.013 0.000 0.853 26 Q CB -0.243 28.414 28.738 -0.134 0.000 0.907 26 Q HN 0.455 nan 8.270 nan 0.000 0.418 27 L N -0.846 120.357 121.223 -0.034 0.000 2.552 27 L HA 0.068 4.408 4.340 -0.000 0.000 0.227 27 L C 0.947 177.806 176.870 -0.019 0.000 1.146 27 L CA 0.369 55.191 54.840 -0.030 0.000 0.858 27 L CB -0.071 41.956 42.059 -0.053 0.000 0.969 27 L HN 0.446 nan 8.230 nan 0.000 0.451 28 G N 1.144 109.940 108.800 -0.008 0.000 2.212 28 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.255 28 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.255 28 G C -0.016 174.878 174.900 -0.010 0.000 1.062 28 G CA -0.251 44.849 45.100 -0.001 0.000 0.815 28 G HN 0.272 nan 8.290 nan 0.000 0.497 29 I N 0.900 121.457 120.570 -0.021 0.000 2.353 29 I HA 0.293 4.463 4.170 -0.000 0.000 0.293 29 I C -1.837 174.274 176.117 -0.011 0.000 0.992 29 I CA -2.581 58.705 61.300 -0.023 0.000 1.268 29 I CB 1.572 39.541 38.000 -0.050 0.000 1.387 29 I HN -0.126 nan 8.210 nan 0.000 0.478 30 P HA 0.061 nan 4.420 nan 0.000 0.262 30 P C -0.984 176.319 177.300 0.004 0.000 1.199 30 P CA 0.284 63.387 63.100 0.005 0.000 0.763 30 P CB 0.398 32.104 31.700 0.010 0.000 0.790 31 T N 2.491 117.046 114.554 0.003 0.000 2.916 31 T HA 0.530 4.880 4.350 -0.000 0.000 0.298 31 T C -1.095 173.607 174.700 0.003 0.000 1.031 31 T CA -0.508 61.592 62.100 -0.000 0.000 0.993 31 T CB 1.624 70.486 68.868 -0.010 0.000 1.045 31 T HN 0.160 nan 8.240 nan 0.000 0.454 32 V N 3.986 123.902 119.914 0.004 0.000 2.971 32 V HA 0.823 4.943 4.120 -0.000 0.000 0.309 32 V C -1.701 174.393 176.094 -0.001 0.000 1.130 32 V CA -0.892 61.410 62.300 0.002 0.000 0.964 32 V CB 2.102 33.927 31.823 0.004 0.000 1.029 32 V HN 0.848 nan 8.190 nan 0.000 0.427 33 L N 5.915 127.136 121.223 -0.005 0.000 2.362 33 L HA 0.780 5.120 4.340 -0.000 0.000 0.275 33 L C -1.100 175.753 176.870 -0.028 0.000 0.998 33 L CA -0.453 54.379 54.840 -0.013 0.000 0.820 33 L CB 2.035 44.094 42.059 0.000 0.000 1.270 33 L HN 0.562 nan 8.230 nan 0.000 0.415 34 V N 3.423 123.304 119.914 -0.055 0.000 2.472 34 V HA 0.590 4.710 4.120 -0.000 0.000 0.290 34 V C -0.588 175.405 176.094 -0.168 0.000 1.037 34 V CA -0.409 61.833 62.300 -0.096 0.000 0.908 34 V CB 1.555 33.321 31.823 -0.094 0.000 0.985 34 V HN 0.750 nan 8.190 nan 0.000 0.454 35 E N 2.603 122.645 120.200 -0.263 0.000 2.334 35 E HA 0.459 4.809 4.350 -0.000 0.000 0.280 35 E C 0.679 176.839 176.600 -0.733 0.000 0.899 35 E CA 0.168 56.332 56.400 -0.393 0.000 0.813 35 E CB 1.278 30.822 29.700 -0.261 0.000 1.318 35 E HN 0.536 nan 8.360 nan 0.000 0.399 36 G N 3.088 111.318 108.800 -0.950 0.000 2.459 36 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 36 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 36 G C 1.056 175.125 174.900 -1.386 0.000 1.183 36 G CA 1.387 45.396 45.100 -1.820 0.000 0.776 36 G HN 0.479 nan 8.290 nan 0.000 0.552 37 Q N -0.761 118.591 119.800 -0.748 0.000 2.385 37 Q HA 0.618 4.958 4.340 -0.000 0.000 0.195 37 Q C 0.496 176.330 176.000 -0.277 0.000 0.977 37 Q CA 1.037 56.631 55.803 -0.347 0.000 0.856 37 Q CB 0.483 29.225 28.738 0.007 0.000 0.986 37 Q HN 0.516 nan 8.270 nan 0.000 0.558 38 A N -0.644 122.066 122.820 -0.184 0.000 2.599 38 A HA 0.505 4.825 4.320 -0.000 0.000 0.294 38 A C -1.652 175.909 177.584 -0.039 0.000 1.055 38 A CA -0.785 51.211 52.037 -0.068 0.000 0.683 38 A CB 0.395 19.395 19.000 0.001 0.000 1.278 38 A HN 0.251 nan 8.150 nan 0.000 0.412 39 L N 1.127 122.357 121.223 0.012 0.000 2.464 39 L HA 0.519 4.859 4.340 -0.000 0.000 0.264 39 L C 1.713 178.641 176.870 0.096 0.000 1.199 39 L CA 1.471 56.342 54.840 0.052 0.000 0.818 39 L CB 0.708 42.794 42.059 0.045 0.000 1.102 39 L HN 1.711 nan 8.230 nan 0.000 0.473 40 G N 0.389 109.327 108.800 0.230 0.000 2.454 40 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.225 40 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.225 40 G C 0.647 175.625 174.900 0.129 0.000 1.138 40 G CA -0.112 45.171 45.100 0.305 0.000 0.667 40 G HN 1.620 nan 8.290 nan 0.000 0.512 41 G N -1.755 107.083 108.800 0.063 0.000 2.512 41 G HA2 0.153 4.113 3.960 -0.000 0.000 0.210 41 G HA3 0.153 4.113 3.960 -0.000 0.000 0.210 41 G C 0.812 175.728 174.900 0.026 0.000 1.295 41 G CA 1.070 46.183 45.100 0.022 0.000 0.934 41 G HN 1.391 nan 8.290 nan 0.000 0.554 42 T N -0.311 114.254 114.554 0.018 0.000 2.643 42 T HA -0.188 4.162 4.350 -0.000 0.000 0.264 42 T C 2.421 177.139 174.700 0.029 0.000 1.045 42 T CA 2.437 64.552 62.100 0.025 0.000 1.155 42 T CB -0.835 68.047 68.868 0.023 0.000 0.863 42 T HN 0.902 nan 8.240 nan 0.000 0.420 43 c N 1.157 119.774 118.600 0.028 0.000 2.349 43 c HA -0.111 4.459 4.570 -0.000 0.000 0.274 43 c C 2.652 176.764 174.090 0.037 0.000 1.178 43 c CA 0.767 57.119 56.329 0.038 0.000 1.769 43 c CB -1.361 41.169 42.510 0.033 0.000 2.047 43 c HN 0.434 nan 8.230 nan 0.000 0.448 44 L N 0.407 121.659 121.223 0.048 0.000 2.179 44 L HA -0.016 4.323 4.340 -0.000 0.000 0.208 44 L C 2.172 179.050 176.870 0.013 0.000 1.096 44 L CA 1.726 56.588 54.840 0.037 0.000 0.779 44 L CB -1.500 40.597 42.059 0.063 0.000 0.922 44 L HN 0.541 nan 8.230 nan 0.000 0.443 45 N N 0.291 119.002 118.700 0.019 0.000 2.402 45 N HA 0.090 4.829 4.740 -0.000 0.000 0.174 45 N C 1.149 176.664 175.510 0.009 0.000 1.027 45 N CA 0.746 53.801 53.050 0.009 0.000 0.891 45 N CB 1.143 39.640 38.487 0.017 0.000 1.016 45 N HN 0.408 nan 8.380 nan 0.000 0.439 46 I N -3.716 116.864 120.570 0.017 0.000 3.013 46 I HA 0.541 4.711 4.170 -0.000 0.000 0.321 46 I C 0.184 176.318 176.117 0.028 0.000 1.497 46 I CA -0.690 60.623 61.300 0.021 0.000 0.862 46 I CB 0.860 38.874 38.000 0.023 0.000 1.654 46 I HN -0.153 nan 8.210 nan 0.000 0.609 47 G N 0.445 109.264 108.800 0.032 0.000 3.400 47 G HA2 0.180 4.140 3.960 -0.000 0.000 0.167 47 G HA3 0.180 4.140 3.960 -0.000 0.000 0.167 47 G C 0.634 175.566 174.900 0.053 0.000 1.196 47 G CA 0.562 45.693 45.100 0.051 0.000 1.174 47 G HN 0.213 nan 8.290 nan 0.000 0.681 48 c N 0.415 119.052 118.600 0.063 0.000 2.218 48 c HA -0.240 4.330 4.570 -0.000 0.000 0.257 48 c C 2.738 176.819 174.090 -0.016 0.000 1.090 48 c CA 1.630 57.981 56.329 0.037 0.000 1.804 48 c CB -1.370 41.163 42.510 0.038 0.000 1.804 48 c HN 0.468 nan 8.230 nan 0.000 0.396 49 I N 1.851 122.405 120.570 -0.026 0.000 2.252 49 I HA -0.077 4.093 4.170 -0.000 0.000 0.245 49 I C -0.274 175.801 176.117 -0.070 0.000 1.102 49 I CA 1.796 63.056 61.300 -0.066 0.000 1.385 49 I CB -1.444 36.512 38.000 -0.073 0.000 1.064 49 I HN 0.398 nan 8.210 nan 0.000 0.414 50 P HA -0.062 nan 4.420 nan 0.000 0.225 50 P C 1.586 178.888 177.300 0.003 0.000 1.156 50 P CA 1.449 64.526 63.100 -0.039 0.000 0.787 50 P CB -0.078 31.609 31.700 -0.022 0.000 0.802 51 S N 0.528 116.239 115.700 0.018 0.000 2.329 51 S HA -0.072 4.398 4.470 -0.000 0.000 0.215 51 S C 1.993 176.613 174.600 0.032 0.000 1.031 51 S CA 0.810 59.039 58.200 0.048 0.000 0.985 51 S CB -0.975 62.270 63.200 0.075 0.000 0.917 51 S HN -0.115 nan 8.310 nan 0.000 0.441 52 K N 2.542 122.920 120.400 -0.037 0.000 2.160 52 K HA 0.175 4.495 4.320 -0.000 0.000 0.206 52 K C 2.212 178.823 176.600 0.019 0.000 1.047 52 K CA 1.454 57.679 56.287 -0.102 0.000 0.930 52 K CB -1.322 31.002 32.500 -0.293 0.000 0.720 52 K HN 0.564 nan 8.250 nan 0.000 0.450 53 A N -0.036 122.805 122.820 0.034 0.000 2.016 53 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 53 A C 2.075 179.841 177.584 0.304 0.000 1.162 53 A CA 0.800 52.934 52.037 0.163 0.000 0.662 53 A CB -0.331 18.606 19.000 -0.105 0.000 0.812 53 A HN 0.208 nan 8.150 nan 0.000 0.450 54 L N -0.158 121.165 121.223 0.166 0.000 2.109 54 L HA 0.028 4.368 4.340 -0.000 0.000 0.207 54 L C 2.146 179.090 176.870 0.122 0.000 1.086 54 L CA 1.319 56.246 54.840 0.146 0.000 0.760 54 L CB -0.375 41.722 42.059 0.065 0.000 0.910 54 L HN 0.409 nan 8.230 nan 0.000 0.437 55 I N -0.956 119.684 120.570 0.116 0.000 2.127 55 I HA -0.382 3.788 4.170 -0.000 0.000 0.241 55 I C 2.603 178.793 176.117 0.123 0.000 1.075 55 I CA 1.713 63.076 61.300 0.105 0.000 1.334 55 I CB -0.624 37.446 38.000 0.116 0.000 1.040 55 I HN 0.455 nan 8.210 nan 0.000 0.405 56 H N 0.506 119.631 119.070 0.091 0.000 2.290 56 H HA -0.198 4.358 4.556 -0.000 0.000 0.298 56 H C 2.343 177.691 175.328 0.034 0.000 1.087 56 H CA 2.429 58.525 56.048 0.080 0.000 1.291 56 H CB -0.223 29.617 29.762 0.129 0.000 1.369 56 H HN 0.279 nan 8.280 nan 0.000 0.492 57 V N 1.123 121.146 119.914 0.182 0.000 2.667 57 V HA -0.067 4.053 4.120 -0.000 0.000 0.252 57 V C 2.567 178.661 176.094 -0.001 0.000 1.065 57 V CA 1.666 63.982 62.300 0.025 0.000 1.083 57 V CB -1.009 30.845 31.823 0.052 0.000 0.692 57 V HN 0.566 nan 8.190 nan 0.000 0.468 58 A N -0.310 122.519 122.820 0.015 0.000 1.873 58 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 58 A C 2.130 179.745 177.584 0.051 0.000 1.186 58 A CA 1.597 53.650 52.037 0.027 0.000 0.616 58 A CB -0.623 18.369 19.000 -0.015 0.000 0.823 58 A HN 0.582 nan 8.150 nan 0.000 0.442 59 E N 0.136 120.327 120.200 -0.015 0.000 2.070 59 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 59 E C 2.159 178.717 176.600 -0.071 0.000 1.004 59 E CA 1.501 57.881 56.400 -0.033 0.000 0.805 59 E CB -0.398 29.240 29.700 -0.104 0.000 0.744 59 E HN 0.662 nan 8.360 nan 0.000 0.451 60 Q N -0.620 119.078 119.800 -0.170 0.000 2.224 60 Q HA -0.119 4.221 4.340 -0.000 0.000 0.203 60 Q C 2.059 178.045 176.000 -0.024 0.000 0.970 60 Q CA 0.664 56.388 55.803 -0.131 0.000 0.865 60 Q CB -0.289 28.343 28.738 -0.178 0.000 0.922 60 Q HN 0.257 nan 8.270 nan 0.000 0.445 61 F N 0.755 120.652 119.950 -0.088 0.000 2.187 61 F HA -0.142 4.385 4.527 -0.000 0.000 0.295 61 F C 2.407 178.191 175.800 -0.026 0.000 1.091 61 F CA 1.411 59.380 58.000 -0.051 0.000 1.308 61 F CB -0.288 38.689 39.000 -0.039 0.000 1.030 61 F HN 0.120 nan 8.300 nan 0.000 0.487 62 H N 0.304 119.302 119.070 -0.120 0.000 2.293 62 H HA -0.138 4.418 4.556 -0.000 0.000 0.300 62 H C 2.177 177.312 175.328 -0.322 0.000 1.082 62 H CA 2.348 58.272 56.048 -0.207 0.000 1.308 62 H CB -0.358 29.345 29.762 -0.099 0.000 1.375 62 H HN 0.157 nan 8.280 nan 0.000 0.495 63 Q N 0.223 119.787 119.800 -0.394 0.000 2.061 63 Q HA -0.072 4.268 4.340 -0.000 0.000 0.204 63 Q C 2.539 178.186 176.000 -0.588 0.000 0.984 63 Q CA 1.506 56.986 55.803 -0.538 0.000 0.846 63 Q CB -0.971 27.593 28.738 -0.290 0.000 0.902 63 Q HN 0.616 nan 8.270 nan 0.000 0.421 64 A N 0.312 122.925 122.820 -0.345 0.000 2.121 64 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 64 A C 2.363 179.718 177.584 -0.382 0.000 1.154 64 A CA 1.276 53.172 52.037 -0.236 0.000 0.679 64 A CB -0.248 18.669 19.000 -0.140 0.000 0.795 64 A HN 0.281 nan 8.150 nan 0.000 0.458 65 S N 0.001 115.360 115.700 -0.568 0.000 2.371 65 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 65 S C 2.076 176.444 174.600 -0.385 0.000 1.029 65 S CA 1.281 59.187 58.200 -0.490 0.000 0.978 65 S CB -0.325 62.579 63.200 -0.493 0.000 0.833 65 S HN 0.871 nan 8.310 nan 0.000 0.466 66 R N 0.709 120.869 120.500 -0.567 0.000 2.159 66 R HA -0.056 4.284 4.340 -0.000 0.000 0.237 66 R C 0.890 176.981 176.300 -0.350 0.000 1.131 66 R CA 1.475 57.266 56.100 -0.514 0.000 0.982 66 R CB -0.754 29.110 30.300 -0.726 0.000 0.868 66 R HN 0.273 nan 8.270 nan 0.000 0.453 67 F N 2.409 122.261 119.950 -0.163 0.000 2.802 67 F HA 0.070 4.597 4.527 -0.000 0.000 0.302 67 F C 1.707 177.451 175.800 -0.093 0.000 1.211 67 F CA 0.670 58.601 58.000 -0.115 0.000 1.431 67 F CB -0.393 38.541 39.000 -0.111 0.000 1.114 67 F HN 0.210 nan 8.300 nan 0.000 0.567 68 T N -4.190 110.381 114.554 0.029 0.000 3.035 68 T HA 0.031 4.381 4.350 -0.000 0.000 0.259 68 T C 0.865 175.576 174.700 0.018 0.000 1.078 68 T CA 0.201 62.310 62.100 0.014 0.000 1.132 68 T CB 0.243 69.098 68.868 -0.021 0.000 0.900 68 T HN 0.099 nan 8.240 nan 0.000 0.480 69 E N 2.504 122.710 120.200 0.010 0.000 2.283 69 E HA 0.296 4.646 4.350 -0.000 0.000 0.267 69 E C -2.445 174.183 176.600 0.046 0.000 1.045 69 E CA -2.498 53.911 56.400 0.014 0.000 0.884 69 E CB 1.130 30.826 29.700 -0.007 0.000 1.106 69 E HN 0.200 nan 8.360 nan 0.000 0.408 70 P HA -0.011 nan 4.420 nan 0.000 0.265 70 P C -0.715 176.624 177.300 0.065 0.000 1.193 70 P CA 0.134 63.261 63.100 0.045 0.000 0.765 70 P CB 0.927 32.642 31.700 0.025 0.000 0.823 71 S N 2.308 118.062 115.700 0.091 0.000 2.568 71 S HA 0.507 4.977 4.470 -0.000 0.000 0.293 71 S C -1.540 173.098 174.600 0.063 0.000 1.089 71 S CA -1.644 56.627 58.200 0.117 0.000 0.945 71 S CB 1.011 64.385 63.200 0.290 0.000 1.077 71 S HN 0.324 nan 8.310 nan 0.000 0.485 72 P HA 0.030 nan 4.420 nan 0.000 0.234 72 P C 0.867 178.177 177.300 0.016 0.000 1.167 72 P CA 0.437 63.554 63.100 0.028 0.000 0.763 72 P CB 0.124 31.841 31.700 0.028 0.000 0.835 73 L N -0.832 120.406 121.223 0.024 0.000 2.492 73 L HA 0.219 4.558 4.340 -0.000 0.000 0.223 73 L C 1.894 178.707 176.870 -0.095 0.000 1.132 73 L CA 1.425 56.249 54.840 -0.027 0.000 0.850 73 L CB -1.192 40.864 42.059 -0.004 0.000 0.966 73 L HN 0.180 nan 8.230 nan 0.000 0.454 74 G N -0.485 108.260 108.800 -0.091 0.000 2.179 74 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 74 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 74 G C 0.491 175.279 174.900 -0.185 0.000 0.977 74 G CA 0.308 45.344 45.100 -0.107 0.000 0.641 74 G HN 0.316 nan 8.290 nan 0.000 0.533 75 I N 0.959 121.316 120.570 -0.354 0.000 2.472 75 I HA 0.569 4.739 4.170 -0.000 0.000 0.290 75 I C 0.513 176.395 176.117 -0.390 0.000 1.016 75 I CA -0.271 60.722 61.300 -0.512 0.000 1.348 75 I CB 1.796 39.167 38.000 -1.048 0.000 1.417 75 I HN 0.112 nan 8.210 nan 0.000 0.521 76 S N 5.113 120.679 115.700 -0.223 0.000 2.547 76 S HA 0.767 5.237 4.470 -0.000 0.000 0.281 76 S C -0.877 173.700 174.600 -0.038 0.000 1.118 76 S CA -0.579 57.576 58.200 -0.074 0.000 0.947 76 S CB 1.438 64.609 63.200 -0.048 0.000 1.053 76 S HN 0.490 nan 8.310 nan 0.000 0.482 77 V N 1.579 121.508 119.914 0.026 0.000 3.007 77 V HA 1.052 5.172 4.120 -0.000 0.000 0.311 77 V C -0.167 175.936 176.094 0.016 0.000 1.120 77 V CA -0.874 61.436 62.300 0.017 0.000 0.980 77 V CB 1.173 33.018 31.823 0.037 0.000 1.033 77 V HN 1.096 nan 8.190 nan 0.000 0.429 78 A N 1.497 124.322 122.820 0.008 0.000 2.299 78 A HA 0.828 5.148 4.320 -0.000 0.000 0.332 78 A C 0.617 178.208 177.584 0.011 0.000 1.131 78 A CA -0.126 51.916 52.037 0.009 0.000 0.844 78 A CB 1.081 20.086 19.000 0.008 0.000 1.251 78 A HN 2.224 nan 8.150 nan 0.000 0.486 79 S N 0.292 116.001 115.700 0.016 0.000 3.628 79 S HA -0.095 4.375 4.470 -0.000 0.000 0.373 79 S C -2.335 172.294 174.600 0.049 0.000 0.968 79 S CA 0.571 58.789 58.200 0.031 0.000 1.215 79 S CB -2.053 61.166 63.200 0.032 0.000 0.912 79 S HN 0.802 nan 8.310 nan 0.000 0.495 80 P HA 0.420 nan 4.420 nan 0.000 0.271 80 P C 0.089 177.555 177.300 0.277 0.000 1.233 80 P CA 0.224 63.359 63.100 0.059 0.000 0.764 80 P CB 0.516 32.097 31.700 -0.199 0.000 0.825 81 R N 2.217 122.924 120.500 0.344 0.000 2.744 81 R HA 0.762 5.102 4.340 -0.000 0.000 0.279 81 R C -1.029 175.370 176.300 0.166 0.000 0.977 81 R CA -1.086 55.161 56.100 0.244 0.000 0.906 81 R CB 2.092 32.460 30.300 0.112 0.000 1.197 81 R HN 0.401 nan 8.270 nan 0.000 0.463 82 L N 1.596 122.735 121.223 -0.140 0.000 2.482 82 L HA 0.455 4.795 4.340 -0.000 0.000 0.269 82 L C -1.848 174.886 176.870 -0.226 0.000 0.967 82 L CA -0.352 54.262 54.840 -0.377 0.000 0.851 82 L CB 2.087 43.525 42.059 -1.035 0.000 1.242 82 L HN 0.563 nan 8.230 nan 0.000 0.404 83 D N 4.811 125.131 120.400 -0.133 0.000 2.462 83 D HA 0.353 4.993 4.640 -0.000 0.000 0.245 83 D C 0.903 177.158 176.300 -0.074 0.000 1.122 83 D CA -0.283 53.669 54.000 -0.080 0.000 0.864 83 D CB 1.453 42.230 40.800 -0.037 0.000 1.098 83 D HN 0.477 nan 8.370 nan 0.000 0.541 84 I N 0.241 120.762 120.570 -0.081 0.000 3.176 84 I HA 0.116 4.286 4.170 -0.000 0.000 0.275 84 I C 2.209 178.319 176.117 -0.011 0.000 1.298 84 I CA 0.357 61.620 61.300 -0.062 0.000 1.445 84 I CB -0.824 37.136 38.000 -0.067 0.000 1.075 84 I HN 0.429 nan 8.210 nan 0.000 0.482 85 G N 0.528 109.326 108.800 -0.003 0.000 2.491 85 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 85 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 85 G C 1.624 176.545 174.900 0.036 0.000 1.180 85 G CA 0.674 45.784 45.100 0.017 0.000 0.774 85 G HN 0.423 nan 8.290 nan 0.000 0.562 86 Q N 0.494 120.314 119.800 0.034 0.000 2.124 86 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 86 Q C 3.055 179.122 176.000 0.112 0.000 0.977 86 Q CA 1.475 57.315 55.803 0.062 0.000 0.850 86 Q CB -0.304 28.456 28.738 0.037 0.000 0.901 86 Q HN 0.511 nan 8.270 nan 0.000 0.429 87 S N 0.381 116.132 115.700 0.086 0.000 2.368 87 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 87 S C 2.192 176.924 174.600 0.220 0.000 1.030 87 S CA 1.305 59.597 58.200 0.154 0.000 0.999 87 S CB -0.310 62.923 63.200 0.055 0.000 0.844 87 S HN 0.132 nan 8.310 nan 0.000 0.459 88 V N 2.088 122.072 119.914 0.116 0.000 2.379 88 V HA -0.101 4.019 4.120 -0.000 0.000 0.245 88 V C 2.737 178.874 176.094 0.073 0.000 1.044 88 V CA 1.433 63.784 62.300 0.085 0.000 1.036 88 V CB -1.326 30.526 31.823 0.050 0.000 0.664 88 V HN 0.535 nan 8.190 nan 0.000 0.453 89 A N -0.406 122.464 122.820 0.083 0.000 1.908 89 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 89 A C 1.958 179.587 177.584 0.074 0.000 1.181 89 A CA 2.192 54.267 52.037 0.064 0.000 0.627 89 A CB -1.017 18.025 19.000 0.071 0.000 0.818 89 A HN 0.749 nan 8.150 nan 0.000 0.445 90 W N 1.004 122.301 121.300 -0.006 0.000 2.318 90 W HA -0.222 4.438 4.660 -0.000 0.000 0.313 90 W C 2.176 178.688 176.519 -0.012 0.000 1.221 90 W CA 2.284 59.624 57.345 -0.008 0.000 1.266 90 W CB -0.131 29.328 29.460 -0.003 0.000 1.150 90 W HN 0.301 nan 8.180 nan 0.000 0.496 91 K N 0.013 120.280 120.400 -0.222 0.000 2.097 91 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 91 K C 1.564 177.985 176.600 -0.299 0.000 1.049 91 K CA 1.955 58.014 56.287 -0.381 0.000 0.933 91 K CB -0.570 31.867 32.500 -0.104 0.000 0.717 91 K HN 0.047 nan 8.250 nan 0.000 0.442 92 D N -0.106 120.196 120.400 -0.164 0.000 2.178 92 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 92 D C 1.786 178.004 176.300 -0.137 0.000 0.974 92 D CA 1.158 55.090 54.000 -0.115 0.000 0.841 92 D CB -0.311 40.457 40.800 -0.053 0.000 0.953 92 D HN 0.464 nan 8.370 nan 0.000 0.478 93 G N 1.045 109.745 108.800 -0.167 0.000 2.440 93 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 93 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 93 G C 1.797 176.584 174.900 -0.188 0.000 1.154 93 G CA 0.406 45.416 45.100 -0.151 0.000 0.767 93 G HN 0.277 nan 8.290 nan 0.000 0.552 94 I N 0.434 120.820 120.570 -0.307 0.000 2.179 94 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 94 I C 2.771 178.772 176.117 -0.193 0.000 1.088 94 I CA 0.586 61.711 61.300 -0.292 0.000 1.357 94 I CB -0.404 37.314 38.000 -0.470 0.000 1.051 94 I HN 0.029 nan 8.210 nan 0.000 0.409 95 V N 0.920 120.728 119.914 -0.177 0.000 2.343 95 V HA -0.329 3.791 4.120 -0.000 0.000 0.247 95 V C 2.178 178.222 176.094 -0.083 0.000 1.051 95 V CA 2.355 64.590 62.300 -0.110 0.000 1.036 95 V CB -0.764 31.007 31.823 -0.086 0.000 0.654 95 V HN 0.462 nan 8.190 nan 0.000 0.451 96 D N 0.192 120.541 120.400 -0.086 0.000 2.087 96 D HA -0.217 4.423 4.640 -0.000 0.000 0.192 96 D C 2.386 178.646 176.300 -0.067 0.000 0.993 96 D CA 1.645 55.606 54.000 -0.066 0.000 0.828 96 D CB -0.161 40.602 40.800 -0.063 0.000 0.968 96 D HN 0.261 nan 8.370 nan 0.000 0.448 97 R N -0.565 119.888 120.500 -0.078 0.000 2.139 97 R HA -0.133 4.207 4.340 -0.000 0.000 0.243 97 R C 2.370 178.628 176.300 -0.071 0.000 1.145 97 R CA 0.890 56.947 56.100 -0.071 0.000 0.976 97 R CB -0.309 29.946 30.300 -0.075 0.000 0.866 97 R HN 0.351 nan 8.270 nan 0.000 0.449 98 L N -0.446 120.732 121.223 -0.075 0.000 2.307 98 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 98 L C 2.427 179.252 176.870 -0.076 0.000 1.099 98 L CA 1.006 55.804 54.840 -0.071 0.000 0.816 98 L CB -0.254 41.769 42.059 -0.061 0.000 0.952 98 L HN 0.272 nan 8.230 nan 0.000 0.455 99 T N -4.035 110.482 114.554 -0.062 0.000 2.770 99 T HA -0.143 4.207 4.350 -0.000 0.000 0.263 99 T C 1.858 176.514 174.700 -0.072 0.000 1.039 99 T CA 1.476 63.542 62.100 -0.057 0.000 1.142 99 T CB -0.803 68.048 68.868 -0.028 0.000 0.868 99 T HN 0.140 nan 8.240 nan 0.000 0.435 100 T N 1.967 116.484 114.554 -0.061 0.000 2.620 100 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 100 T C 2.288 176.943 174.700 -0.074 0.000 1.044 100 T CA 1.772 63.836 62.100 -0.060 0.000 1.161 100 T CB -1.278 67.558 68.868 -0.053 0.000 0.862 100 T HN 0.623 nan 8.240 nan 0.000 0.438 101 G N 0.577 109.328 108.800 -0.082 0.000 2.432 101 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 101 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 101 G C 1.667 176.492 174.900 -0.126 0.000 1.135 101 G CA 0.894 45.940 45.100 -0.090 0.000 0.767 101 G HN 0.487 nan 8.290 nan 0.000 0.550 102 V N 1.261 121.067 119.914 -0.181 0.000 2.453 102 V HA -0.037 4.083 4.120 -0.000 0.000 0.247 102 V C 3.237 179.224 176.094 -0.180 0.000 1.048 102 V CA 1.670 63.794 62.300 -0.293 0.000 1.049 102 V CB -0.747 30.798 31.823 -0.463 0.000 0.672 102 V HN 0.458 nan 8.190 nan 0.000 0.457 103 A N 0.629 123.381 122.820 -0.114 0.000 1.851 103 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 103 A C 2.510 180.058 177.584 -0.061 0.000 1.195 103 A CA 2.387 54.382 52.037 -0.070 0.000 0.622 103 A CB -1.113 17.853 19.000 -0.056 0.000 0.831 103 A HN 0.580 nan 8.150 nan 0.000 0.444 104 A N -0.571 122.210 122.820 -0.064 0.000 1.915 104 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 104 A C 2.137 179.694 177.584 -0.046 0.000 1.198 104 A CA 2.025 54.028 52.037 -0.056 0.000 0.647 104 A CB -0.748 18.218 19.000 -0.057 0.000 0.825 104 A HN 0.496 nan 8.150 nan 0.000 0.456 105 L N -1.286 119.916 121.223 -0.035 0.000 2.313 105 L HA -0.039 4.301 4.340 -0.000 0.000 0.214 105 L C 2.183 179.117 176.870 0.108 0.000 1.119 105 L CA 0.236 55.101 54.840 0.042 0.000 0.809 105 L CB -0.181 41.907 42.059 0.049 0.000 0.933 105 L HN 0.269 nan 8.230 nan 0.000 0.449 106 L N -0.702 120.533 121.223 0.020 0.000 2.131 106 L HA -0.065 4.275 4.340 -0.000 0.000 0.206 106 L C 2.438 179.323 176.870 0.025 0.000 1.087 106 L CA 1.494 56.354 54.840 0.035 0.000 0.767 106 L CB -0.872 41.184 42.059 -0.004 0.000 0.917 106 L HN 0.108 nan 8.230 nan 0.000 0.441 107 K N 0.205 120.599 120.400 -0.011 0.000 2.002 107 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 107 K C 2.115 178.685 176.600 -0.050 0.000 1.048 107 K CA 1.078 57.348 56.287 -0.029 0.000 0.930 107 K CB -0.291 32.184 32.500 -0.042 0.000 0.714 107 K HN 0.046 nan 8.250 nan 0.000 0.438 108 K N 0.735 121.082 120.400 -0.087 0.000 2.032 108 K HA -0.205 4.115 4.320 -0.000 0.000 0.218 108 K C 1.736 178.170 176.600 -0.278 0.000 1.054 108 K CA 1.689 57.858 56.287 -0.197 0.000 0.941 108 K CB -0.409 31.956 32.500 -0.225 0.000 0.720 108 K HN 0.406 nan 8.250 nan 0.000 0.449 109 H N -0.725 118.327 119.070 -0.029 0.000 2.547 109 H HA 0.083 4.639 4.556 -0.000 0.000 0.266 109 H C 0.505 175.820 175.328 -0.022 0.000 0.988 109 H CA 0.763 56.797 56.048 -0.024 0.000 1.147 109 H CB -0.164 29.584 29.762 -0.023 0.000 1.365 109 H HN 0.503 nan 8.280 nan 0.000 0.589 110 G N 1.941 110.761 108.800 0.033 0.000 2.392 110 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.290 110 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.290 110 G C 0.203 175.118 174.900 0.025 0.000 1.032 110 G CA 0.497 45.605 45.100 0.013 0.000 1.269 110 G HN 0.457 nan 8.290 nan 0.000 0.511 111 V N -1.385 118.545 119.914 0.025 0.000 2.715 111 V HA 0.867 4.987 4.120 -0.000 0.000 0.310 111 V C 0.301 176.399 176.094 0.007 0.000 1.054 111 V CA -1.472 60.838 62.300 0.017 0.000 0.928 111 V CB 2.042 33.878 31.823 0.020 0.000 1.007 111 V HN 0.512 nan 8.190 nan 0.000 0.437 112 K N 3.311 123.713 120.400 0.003 0.000 2.234 112 K HA 0.633 4.953 4.320 -0.000 0.000 0.282 112 K C -1.301 175.299 176.600 0.001 0.000 1.039 112 K CA -0.502 55.784 56.287 -0.002 0.000 0.928 112 K CB 1.628 34.126 32.500 -0.003 0.000 1.039 112 K HN 0.725 nan 8.250 nan 0.000 0.470 113 V N 5.330 125.244 119.914 0.000 0.000 2.384 113 V HA 0.265 4.385 4.120 -0.000 0.000 0.287 113 V C -0.681 175.424 176.094 0.018 0.000 1.020 113 V CA -0.770 61.538 62.300 0.013 0.000 0.850 113 V CB 1.552 33.387 31.823 0.020 0.000 0.987 113 V HN 0.569 nan 8.190 nan 0.000 0.436 114 V N 5.565 125.492 119.914 0.021 0.000 2.495 114 V HA 0.537 4.656 4.120 -0.000 0.000 0.298 114 V C 0.296 176.419 176.094 0.049 0.000 1.031 114 V CA -0.233 62.082 62.300 0.024 0.000 0.871 114 V CB 1.448 33.270 31.823 -0.002 0.000 0.988 114 V HN 0.941 nan 8.190 nan 0.000 0.432 115 H N 3.838 122.836 119.070 -0.120 0.000 1.924 115 H HA 0.443 4.999 4.556 -0.000 0.000 0.287 115 H C 0.918 176.101 175.328 -0.242 0.000 1.786 115 H CA 0.637 56.574 56.048 -0.186 0.000 1.408 115 H CB 0.754 30.423 29.762 -0.155 0.000 1.741 115 H HN 1.240 nan 8.280 nan 0.000 0.601 116 G N -0.508 108.128 108.800 -0.274 0.000 2.881 116 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.681 116 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.681 116 G C -0.613 174.038 174.900 -0.415 0.000 1.567 116 G CA -0.137 44.800 45.100 -0.273 0.000 1.013 116 G HN 0.428 nan 8.290 nan 0.000 0.580 117 W N 0.174 121.456 121.300 -0.029 0.000 2.237 117 W HA 0.581 5.241 4.660 -0.000 0.000 0.335 117 W C 0.625 177.126 176.519 -0.029 0.000 1.230 117 W CA 0.205 57.524 57.345 -0.044 0.000 1.253 117 W CB 1.741 31.188 29.460 -0.021 0.000 1.129 117 W HN 1.068 nan 8.180 nan 0.000 0.590 118 A N 3.116 126.025 122.820 0.148 0.000 2.303 118 A HA 0.597 4.917 4.320 -0.000 0.000 0.320 118 A C -0.905 176.770 177.584 0.150 0.000 1.192 118 A CA -0.767 51.321 52.037 0.084 0.000 0.821 118 A CB 0.796 19.793 19.000 -0.005 0.000 1.188 118 A HN 0.445 nan 8.150 nan 0.000 0.492 119 K N 1.568 122.062 120.400 0.156 0.000 2.265 119 K HA 0.516 4.836 4.320 -0.000 0.000 0.267 119 K C -0.470 176.223 176.600 0.156 0.000 0.994 119 K CA -0.392 56.008 56.287 0.188 0.000 0.860 119 K CB 1.712 34.293 32.500 0.136 0.000 1.099 119 K HN 0.400 nan 8.250 nan 0.000 0.448 120 V N 4.986 125.022 119.914 0.205 0.000 2.715 120 V HA 0.072 4.192 4.120 -0.000 0.000 0.299 120 V C 1.078 177.230 176.094 0.096 0.000 1.054 120 V CA 0.058 62.451 62.300 0.154 0.000 1.077 120 V CB 0.502 32.446 31.823 0.201 0.000 0.972 120 V HN 0.698 nan 8.190 nan 0.000 0.484 121 L N 2.189 123.453 121.223 0.069 0.000 2.577 121 L HA 0.383 4.723 4.340 -0.000 0.000 0.225 121 L C 0.124 177.016 176.870 0.037 0.000 1.053 121 L CA 0.178 55.046 54.840 0.047 0.000 0.866 121 L CB 0.393 42.476 42.059 0.039 0.000 1.132 121 L HN 0.879 nan 8.230 nan 0.000 0.486 122 D N -1.430 118.993 120.400 0.040 0.000 2.764 122 D HA 0.055 4.695 4.640 -0.000 0.000 0.293 122 D C -0.133 176.187 176.300 0.033 0.000 1.287 122 D CA -0.337 53.680 54.000 0.029 0.000 0.768 122 D CB 0.917 41.729 40.800 0.020 0.000 1.288 122 D HN -0.118 nan 8.370 nan 0.000 0.426 123 G N -0.142 108.672 108.800 0.023 0.000 3.213 123 G HA2 0.394 4.354 3.960 -0.000 0.000 0.263 123 G HA3 0.394 4.354 3.960 -0.000 0.000 0.263 123 G C 0.452 175.361 174.900 0.014 0.000 0.829 123 G CA -0.054 45.058 45.100 0.021 0.000 1.983 123 G HN 0.457 nan 8.290 nan 0.000 0.616 124 K N -1.128 119.285 120.400 0.021 0.000 1.429 124 K HA 0.006 4.326 4.320 -0.000 0.000 0.089 124 K C 0.483 177.096 176.600 0.022 0.000 2.304 124 K CA -0.011 56.284 56.287 0.014 0.000 1.024 124 K CB 0.090 32.592 32.500 0.004 0.000 2.538 124 K HN 0.382 nan 8.250 nan 0.000 0.354 125 Q N 0.420 120.237 119.800 0.028 0.000 2.528 125 Q HA 0.677 5.017 4.340 -0.000 0.000 0.289 125 Q C -1.409 174.615 176.000 0.041 0.000 1.091 125 Q CA -1.049 54.772 55.803 0.030 0.000 0.797 125 Q CB 3.289 32.043 28.738 0.026 0.000 1.466 125 Q HN -0.092 nan 8.270 nan 0.000 0.436 126 V N 0.482 120.420 119.914 0.040 0.000 3.120 126 V HA 0.305 4.425 4.120 -0.000 0.000 0.303 126 V C -1.577 174.543 176.094 0.044 0.000 1.238 126 V CA -0.688 61.642 62.300 0.049 0.000 1.008 126 V CB 2.575 34.424 31.823 0.043 0.000 1.064 126 V HN 0.817 nan 8.190 nan 0.000 0.434 127 E N 2.041 122.272 120.200 0.053 0.000 2.224 127 E HA 0.722 5.072 4.350 -0.000 0.000 0.265 127 E C -1.993 174.640 176.600 0.055 0.000 0.878 127 E CA -0.454 55.975 56.400 0.048 0.000 0.759 127 E CB 2.129 31.860 29.700 0.051 0.000 1.164 127 E HN 0.409 nan 8.360 nan 0.000 0.414 128 V N 4.842 124.781 119.914 0.042 0.000 2.349 128 V HA 0.169 4.288 4.120 -0.000 0.000 0.284 128 V C -0.062 176.057 176.094 0.042 0.000 1.014 128 V CA -0.544 61.780 62.300 0.040 0.000 0.826 128 V CB 1.142 32.971 31.823 0.011 0.000 1.009 128 V HN 1.047 nan 8.190 nan 0.000 0.431 129 D N 3.926 124.364 120.400 0.062 0.000 2.860 129 D HA -0.204 4.436 4.640 -0.000 0.000 0.229 129 D C 1.214 177.539 176.300 0.043 0.000 1.169 129 D CA 2.583 56.618 54.000 0.059 0.000 0.737 129 D CB -0.807 40.025 40.800 0.053 0.000 1.080 129 D HN 1.228 nan 8.370 nan 0.000 0.424 130 G N -1.487 107.337 108.800 0.040 0.000 3.151 130 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.197 130 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.197 130 G C -0.349 174.567 174.900 0.026 0.000 1.682 130 G CA -0.022 45.096 45.100 0.031 0.000 1.205 130 G HN 0.515 nan 8.290 nan 0.000 0.510 131 Q N 2.454 122.268 119.800 0.022 0.000 2.313 131 Q HA 0.621 4.961 4.340 -0.000 0.000 0.266 131 Q C 0.039 176.051 176.000 0.021 0.000 0.989 131 Q CA -0.024 55.790 55.803 0.018 0.000 0.890 131 Q CB 1.139 29.885 28.738 0.013 0.000 1.200 131 Q HN 0.574 nan 8.270 nan 0.000 0.396 132 R N 1.919 122.430 120.500 0.020 0.000 2.615 132 R HA 0.607 4.947 4.340 -0.000 0.000 0.270 132 R C -0.155 176.155 176.300 0.018 0.000 1.081 132 R CA 0.008 56.121 56.100 0.021 0.000 1.154 132 R CB 0.574 30.886 30.300 0.019 0.000 1.063 132 R HN 0.685 nan 8.270 nan 0.000 0.519 133 I N 1.063 121.645 120.570 0.019 0.000 2.610 133 I HA 0.207 4.377 4.170 -0.000 0.000 0.289 133 I C -0.613 175.515 176.117 0.019 0.000 1.163 133 I CA -0.701 60.609 61.300 0.017 0.000 1.044 133 I CB 2.082 40.091 38.000 0.015 0.000 1.251 133 I HN 0.477 nan 8.210 nan 0.000 0.424 134 Q N 4.500 124.310 119.800 0.017 0.000 2.418 134 Q HA 0.885 5.225 4.340 -0.000 0.000 0.276 134 Q C -0.859 175.151 176.000 0.016 0.000 1.081 134 Q CA -0.842 54.971 55.803 0.016 0.000 0.864 134 Q CB 3.104 31.849 28.738 0.012 0.000 1.384 134 Q HN 0.850 nan 8.270 nan 0.000 0.467 135 C N -2.618 116.690 119.300 0.013 0.000 3.165 135 C HA 0.309 4.769 4.460 -0.000 0.000 0.345 135 C C 0.397 175.381 174.990 -0.010 0.000 1.367 135 C CA -0.571 58.457 59.018 0.016 0.000 1.205 135 C CB 0.747 28.509 27.740 0.036 0.000 1.447 135 C HN 1.029 nan 8.230 nan 0.000 0.451 136 E N -0.275 119.909 120.200 -0.027 0.000 2.201 136 E HA 0.123 4.473 4.350 -0.000 0.000 0.193 136 E C -0.387 176.012 176.600 -0.336 0.000 0.957 136 E CA 0.733 57.038 56.400 -0.157 0.000 0.858 136 E CB 0.226 29.841 29.700 -0.141 0.000 0.816 136 E HN 0.762 nan 8.360 nan 0.000 0.475 137 H N -0.151 118.973 119.070 0.090 0.000 2.589 137 H HA 0.370 4.926 4.556 -0.000 0.000 0.351 137 H C -1.311 174.121 175.328 0.173 0.000 1.074 137 H CA -0.755 55.413 56.048 0.201 0.000 1.203 137 H CB 1.946 31.832 29.762 0.206 0.000 1.558 137 H HN -0.067 nan 8.280 nan 0.000 0.522 138 L N 3.762 125.190 121.223 0.342 0.000 2.307 138 L HA 0.449 4.789 4.340 -0.000 0.000 0.284 138 L C -1.504 175.573 176.870 0.346 0.000 1.023 138 L CA -0.507 54.471 54.840 0.231 0.000 0.810 138 L CB 1.080 43.220 42.059 0.134 0.000 1.231 138 L HN 0.617 nan 8.230 nan 0.000 0.423 139 L N 6.292 127.653 121.223 0.231 0.000 2.381 139 L HA 0.540 4.880 4.340 -0.000 0.000 0.274 139 L C -1.531 175.408 176.870 0.115 0.000 0.988 139 L CA -0.649 54.324 54.840 0.221 0.000 0.824 139 L CB 1.858 43.980 42.059 0.105 0.000 1.263 139 L HN 0.641 nan 8.230 nan 0.000 0.410 140 L N 4.915 126.205 121.223 0.110 0.000 2.295 140 L HA 0.676 5.016 4.340 -0.000 0.000 0.285 140 L C 0.265 177.154 176.870 0.031 0.000 1.035 140 L CA -0.075 54.802 54.840 0.061 0.000 0.806 140 L CB 1.728 43.850 42.059 0.105 0.000 1.214 140 L HN 0.761 nan 8.230 nan 0.000 0.426 141 A N 0.473 123.284 122.820 -0.014 0.000 3.339 141 A HA 0.263 4.583 4.320 -0.000 0.000 0.219 141 A C 0.786 178.342 177.584 -0.047 0.000 0.974 141 A CA -0.123 51.897 52.037 -0.029 0.000 1.050 141 A CB -0.283 18.688 19.000 -0.048 0.000 1.271 141 A HN 0.731 nan 8.150 nan 0.000 0.565 142 T N -2.494 112.037 114.554 -0.038 0.000 2.962 142 T HA 0.372 4.722 4.350 -0.000 0.000 0.270 142 T C 1.618 176.328 174.700 0.016 0.000 1.088 142 T CA 1.406 63.477 62.100 -0.049 0.000 1.127 142 T CB -0.162 68.679 68.868 -0.044 0.000 0.883 142 T HN 2.150 nan 8.240 nan 0.000 0.493 143 G N 0.606 109.420 108.800 0.023 0.000 2.545 143 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.240 143 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.240 143 G C -0.170 174.754 174.900 0.039 0.000 1.172 143 G CA -0.043 45.069 45.100 0.021 0.000 0.949 143 G HN 1.085 nan 8.290 nan 0.000 0.574 144 S N -1.588 114.134 115.700 0.037 0.000 2.565 144 S HA 0.758 5.228 4.470 -0.000 0.000 0.269 144 S C -0.734 173.884 174.600 0.030 0.000 1.153 144 S CA 0.900 59.121 58.200 0.034 0.000 0.835 144 S CB 1.598 64.812 63.200 0.023 0.000 1.122 144 S HN 1.729 nan 8.310 nan 0.000 0.462 145 S N 0.708 116.421 115.700 0.022 0.000 2.627 145 S HA 0.743 5.212 4.470 -0.000 0.000 0.283 145 S C -1.035 173.564 174.600 -0.001 0.000 1.127 145 S CA -0.506 57.702 58.200 0.013 0.000 0.863 145 S CB 1.623 64.832 63.200 0.016 0.000 1.121 145 S HN 1.010 nan 8.310 nan 0.000 0.479 146 S N 1.255 116.949 115.700 -0.010 0.000 2.523 146 S HA 0.485 4.954 4.470 -0.000 0.000 0.275 146 S C -0.125 174.463 174.600 -0.021 0.000 1.281 146 S CA -0.696 57.492 58.200 -0.021 0.000 1.050 146 S CB 0.753 63.937 63.200 -0.028 0.000 0.937 146 S HN 0.495 nan 8.310 nan 0.000 0.492 147 V N 3.217 123.116 119.914 -0.024 0.000 2.529 147 V HA 0.121 4.241 4.120 -0.000 0.000 0.292 147 V C 0.823 176.901 176.094 -0.026 0.000 1.028 147 V CA 0.130 62.416 62.300 -0.022 0.000 1.074 147 V CB 0.200 32.010 31.823 -0.022 0.000 0.958 147 V HN 0.931 nan 8.190 nan 0.000 0.481 148 E N 3.835 124.021 120.200 -0.023 0.000 2.277 148 E HA 0.463 4.813 4.350 -0.000 0.000 0.274 148 E C -0.911 175.677 176.600 -0.021 0.000 1.022 148 E CA -0.720 55.666 56.400 -0.023 0.000 0.853 148 E CB 1.234 30.922 29.700 -0.021 0.000 1.086 148 E HN 0.547 nan 8.360 nan 0.000 0.397 149 L N 5.751 126.961 121.223 -0.021 0.000 2.290 149 L HA 0.200 4.540 4.340 -0.000 0.000 0.284 149 L C -1.735 175.129 176.870 -0.010 0.000 1.078 149 L CA -1.646 53.185 54.840 -0.016 0.000 0.815 149 L CB 1.004 43.053 42.059 -0.017 0.000 1.162 149 L HN 0.492 nan 8.230 nan 0.000 0.435 150 P HA -0.167 nan 4.420 nan 0.000 0.214 150 P C 1.379 178.680 177.300 0.001 0.000 1.163 150 P CA 1.158 64.255 63.100 -0.004 0.000 0.883 150 P CB 0.173 31.869 31.700 -0.005 0.000 0.788 151 M N -1.512 118.092 119.600 0.006 0.000 2.682 151 M HA 0.088 4.568 4.480 -0.000 0.000 0.235 151 M C 0.126 176.440 176.300 0.024 0.000 1.114 151 M CA 0.327 55.635 55.300 0.014 0.000 1.053 151 M CB -1.103 31.508 32.600 0.018 0.000 1.599 151 M HN -0.093 nan 8.290 nan 0.000 0.520 152 L N 1.957 123.189 121.223 0.016 0.000 2.470 152 L HA 0.430 4.770 4.340 -0.000 0.000 0.256 152 L C -2.403 174.469 176.870 0.003 0.000 1.357 152 L CA -1.589 53.262 54.840 0.019 0.000 0.902 152 L CB 1.161 43.223 42.059 0.005 0.000 1.121 152 L HN -0.114 nan 8.230 nan 0.000 0.507 153 P HA 0.091 nan 4.420 nan 0.000 0.271 153 P C -0.061 177.238 177.300 -0.002 0.000 1.216 153 P CA -0.383 62.718 63.100 0.001 0.000 0.776 153 P CB 1.222 32.926 31.700 0.006 0.000 0.881 154 L N 2.066 123.281 121.223 -0.013 0.000 2.476 154 L HA 0.509 4.849 4.340 -0.000 0.000 0.264 154 L C 1.211 178.078 176.870 -0.005 0.000 1.224 154 L CA 1.530 56.359 54.840 -0.018 0.000 0.821 154 L CB -0.417 41.629 42.059 -0.023 0.000 1.101 154 L HN 0.849 nan 8.230 nan 0.000 0.488 155 G N 0.645 109.444 108.800 -0.003 0.000 2.677 155 G HA2 0.539 4.499 3.960 -0.000 0.000 0.321 155 G HA3 0.539 4.499 3.960 -0.000 0.000 0.321 155 G C -0.147 174.765 174.900 0.019 0.000 1.449 155 G CA -0.258 44.847 45.100 0.008 0.000 1.064 155 G HN 1.181 nan 8.290 nan 0.000 0.627 156 G N 3.893 112.702 108.800 0.016 0.000 2.583 156 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.292 156 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.292 156 G C -0.308 174.602 174.900 0.017 0.000 1.203 156 G CA 0.998 46.112 45.100 0.024 0.000 0.987 156 G HN 1.326 nan 8.290 nan 0.000 0.554 157 P HA -0.125 nan 4.420 nan 0.000 0.230 157 P C 0.792 178.057 177.300 -0.058 0.000 1.153 157 P CA 1.835 64.956 63.100 0.035 0.000 0.891 157 P CB -0.076 31.727 31.700 0.172 0.000 0.773 158 V N 0.523 120.405 119.914 -0.054 0.000 2.347 158 V HA 0.266 4.386 4.120 -0.000 0.000 0.280 158 V C 0.524 176.574 176.094 -0.073 0.000 1.021 158 V CA -0.658 61.575 62.300 -0.112 0.000 0.847 158 V CB 0.936 32.706 31.823 -0.088 0.000 0.990 158 V HN -0.052 nan 8.190 nan 0.000 0.444 159 I N 2.662 123.176 120.570 -0.093 0.000 3.133 159 I HA 0.960 5.130 4.170 -0.000 0.000 0.311 159 I C 0.248 176.321 176.117 -0.074 0.000 1.072 159 I CA -0.527 60.731 61.300 -0.069 0.000 1.015 159 I CB 2.414 40.371 38.000 -0.072 0.000 1.233 159 I HN 0.572 nan 8.210 nan 0.000 0.473 160 S N 0.313 115.981 115.700 -0.054 0.000 2.874 160 S HA 0.418 4.888 4.470 -0.000 0.000 0.318 160 S C 0.894 175.470 174.600 -0.040 0.000 1.109 160 S CA 0.004 58.173 58.200 -0.052 0.000 0.878 160 S CB 0.972 64.149 63.200 -0.038 0.000 1.307 160 S HN 0.791 nan 8.310 nan 0.000 0.592 161 S N 1.274 116.955 115.700 -0.033 0.000 2.369 161 S HA -0.191 4.279 4.470 -0.000 0.000 0.225 161 S C 1.874 176.479 174.600 0.009 0.000 1.043 161 S CA 2.137 60.329 58.200 -0.012 0.000 1.074 161 S CB -1.938 61.253 63.200 -0.015 0.000 0.962 161 S HN 0.818 nan 8.310 nan 0.000 0.433 162 T N 2.463 117.021 114.554 0.006 0.000 2.649 162 T HA -0.184 4.165 4.350 -0.000 0.000 0.268 162 T C 1.729 176.441 174.700 0.020 0.000 1.036 162 T CA 2.083 64.192 62.100 0.015 0.000 1.157 162 T CB -0.584 68.291 68.868 0.011 0.000 0.861 162 T HN 0.512 nan 8.240 nan 0.000 0.445 163 E N 0.819 121.025 120.200 0.011 0.000 2.299 163 E HA 0.278 4.628 4.350 -0.000 0.000 0.193 163 E C 2.277 178.898 176.600 0.035 0.000 0.998 163 E CA 0.676 57.086 56.400 0.016 0.000 0.851 163 E CB -0.472 29.227 29.700 -0.001 0.000 0.795 163 E HN 0.513 nan 8.360 nan 0.000 0.492 164 A N 0.726 123.566 122.820 0.033 0.000 1.930 164 A HA -0.075 4.244 4.320 -0.000 0.000 0.217 164 A C 1.730 179.427 177.584 0.188 0.000 1.175 164 A CA 0.769 52.861 52.037 0.092 0.000 0.627 164 A CB -0.496 18.538 19.000 0.057 0.000 0.815 164 A HN 0.230 nan 8.150 nan 0.000 0.443 165 L N -0.767 120.524 121.223 0.113 0.000 2.713 165 L HA 0.181 4.521 4.340 -0.000 0.000 0.245 165 L C 0.888 177.801 176.870 0.071 0.000 1.169 165 L CA 0.423 55.318 54.840 0.091 0.000 0.962 165 L CB -0.349 41.745 42.059 0.058 0.000 1.161 165 L HN 0.411 nan 8.230 nan 0.000 0.427 166 A N 0.085 122.955 122.820 0.083 0.000 3.368 166 A HA 0.347 4.667 4.320 -0.000 0.000 0.211 166 A C -2.412 175.213 177.584 0.068 0.000 1.004 166 A CA -0.601 51.472 52.037 0.061 0.000 1.059 166 A CB -0.183 18.842 19.000 0.042 0.000 1.298 166 A HN 0.003 nan 8.150 nan 0.000 0.613 167 P HA 0.218 nan 4.420 nan 0.000 0.272 167 P C 0.022 177.352 177.300 0.050 0.000 1.223 167 P CA -0.007 63.144 63.100 0.084 0.000 0.784 167 P CB 1.135 32.910 31.700 0.125 0.000 0.923 168 K N 0.592 121.018 120.400 0.044 0.000 2.373 168 K HA 0.594 4.914 4.320 -0.000 0.000 0.200 168 K C 0.426 177.042 176.600 0.027 0.000 1.054 168 K CA -0.413 55.892 56.287 0.031 0.000 1.065 168 K CB 0.716 33.232 32.500 0.027 0.000 0.886 168 K HN 0.456 nan 8.250 nan 0.000 0.546 169 A N 1.188 124.031 122.820 0.038 0.000 2.609 169 A HA 0.647 4.967 4.320 -0.000 0.000 0.291 169 A C -1.617 176.007 177.584 0.066 0.000 1.096 169 A CA -0.918 51.141 52.037 0.037 0.000 0.684 169 A CB 1.119 20.140 19.000 0.035 0.000 1.282 169 A HN 0.130 nan 8.150 nan 0.000 0.412 170 L N 1.725 122.988 121.223 0.067 0.000 2.334 170 L HA 0.567 4.907 4.340 -0.000 0.000 0.272 170 L C -1.851 175.090 176.870 0.118 0.000 1.020 170 L CA -1.987 52.933 54.840 0.132 0.000 0.812 170 L CB 1.695 43.806 42.059 0.087 0.000 1.264 170 L HN 0.598 nan 8.230 nan 0.000 0.439 171 P HA 0.103 nan 4.420 nan 0.000 0.272 171 P C -0.473 176.882 177.300 0.093 0.000 1.230 171 P CA -0.376 62.771 63.100 0.079 0.000 0.788 171 P CB 1.240 32.947 31.700 0.011 0.000 0.949 172 Q N -0.471 119.384 119.800 0.091 0.000 2.089 172 Q HA -0.050 4.290 4.340 -0.000 0.000 0.195 172 Q C 0.704 176.798 176.000 0.157 0.000 0.963 172 Q CA 1.111 56.979 55.803 0.107 0.000 0.834 172 Q CB 0.168 28.963 28.738 0.094 0.000 0.906 172 Q HN 0.588 nan 8.270 nan 0.000 0.452 173 H N -0.408 118.686 119.070 0.040 0.000 2.782 173 H HA 0.366 4.922 4.556 -0.000 0.000 0.347 173 H C -1.858 173.475 175.328 0.008 0.000 1.038 173 H CA -0.729 55.339 56.048 0.034 0.000 1.255 173 H CB 1.428 31.213 29.762 0.040 0.000 1.623 173 H HN 0.048 nan 8.280 nan 0.000 0.525 174 L N 6.207 127.248 121.223 -0.303 0.000 2.322 174 L HA 0.457 4.797 4.340 -0.000 0.000 0.281 174 L C -1.462 175.122 176.870 -0.477 0.000 1.014 174 L CA -0.433 54.212 54.840 -0.324 0.000 0.815 174 L CB 1.414 43.299 42.059 -0.289 0.000 1.247 174 L HN 0.355 nan 8.230 nan 0.000 0.421 175 V N 5.185 124.881 119.914 -0.364 0.000 2.630 175 V HA 0.606 4.726 4.120 -0.000 0.000 0.305 175 V C -0.560 175.417 176.094 -0.195 0.000 1.046 175 V CA -0.665 61.473 62.300 -0.270 0.000 0.934 175 V CB 1.973 33.703 31.823 -0.154 0.000 1.003 175 V HN 0.555 nan 8.190 nan 0.000 0.451 176 V N 4.310 124.147 119.914 -0.128 0.000 2.409 176 V HA 0.318 4.438 4.120 -0.000 0.000 0.290 176 V C -0.317 175.740 176.094 -0.062 0.000 1.017 176 V CA -0.568 61.670 62.300 -0.103 0.000 0.841 176 V CB 1.928 33.704 31.823 -0.079 0.000 1.003 176 V HN 0.606 nan 8.190 nan 0.000 0.426 177 V N 4.526 124.399 119.914 -0.069 0.000 2.356 177 V HA 0.793 4.913 4.120 -0.000 0.000 0.258 177 V C 0.760 176.832 176.094 -0.036 0.000 1.065 177 V CA 0.528 62.802 62.300 -0.044 0.000 0.935 177 V CB 0.357 32.146 31.823 -0.057 0.000 1.061 177 V HN 1.235 nan 8.190 nan 0.000 0.484 178 G N 3.402 112.192 108.800 -0.018 0.000 3.187 178 G HA2 0.308 4.268 3.960 -0.000 0.000 0.682 178 G HA3 0.308 4.268 3.960 -0.000 0.000 0.682 178 G C -0.152 174.744 174.900 -0.008 0.000 1.266 178 G CA -0.516 44.574 45.100 -0.016 0.000 0.902 178 G HN 1.128 nan 8.290 nan 0.000 0.589 179 G N 0.602 109.407 108.800 0.008 0.000 5.001 179 G HA2 0.751 4.711 3.960 -0.000 0.000 0.304 179 G HA3 0.751 4.711 3.960 -0.000 0.000 0.304 179 G C 0.549 175.474 174.900 0.042 0.000 1.400 179 G CA 0.809 45.925 45.100 0.026 0.000 1.029 179 G HN 1.310 nan 8.290 nan 0.000 0.584 180 G N -0.311 108.509 108.800 0.032 0.000 2.887 180 G HA2 0.446 4.406 3.960 -0.000 0.000 0.277 180 G HA3 0.446 4.406 3.960 -0.000 0.000 0.277 180 G C 0.828 175.796 174.900 0.113 0.000 1.346 180 G CA -0.547 44.590 45.100 0.061 0.000 1.058 180 G HN 0.342 nan 8.290 nan 0.000 0.535 181 Y N -0.954 119.398 120.300 0.087 0.000 2.224 181 Y HA -0.023 4.527 4.550 -0.000 0.000 0.289 181 Y C 2.288 178.248 175.900 0.100 0.000 1.146 181 Y CA 1.225 59.391 58.100 0.110 0.000 1.182 181 Y CB -0.647 37.898 38.460 0.141 0.000 0.983 181 Y HN 0.160 nan 8.280 nan 0.000 0.524 182 I N 1.722 122.131 120.570 -0.268 0.000 2.142 182 I HA -0.164 4.006 4.170 -0.000 0.000 0.240 182 I C 2.821 178.920 176.117 -0.030 0.000 1.078 182 I CA 1.926 63.119 61.300 -0.179 0.000 1.343 182 I CB -1.180 36.639 38.000 -0.301 0.000 1.046 182 I HN 0.444 nan 8.210 nan 0.000 0.405 183 G N 0.029 108.809 108.800 -0.033 0.000 2.404 183 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 183 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 183 G C 1.728 176.650 174.900 0.037 0.000 1.174 183 G CA 0.580 45.676 45.100 -0.007 0.000 0.780 183 G HN 0.284 nan 8.290 nan 0.000 0.537 184 L N 0.023 121.286 121.223 0.066 0.000 1.988 184 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 184 L C 2.942 179.879 176.870 0.112 0.000 1.071 184 L CA 1.401 56.293 54.840 0.087 0.000 0.744 184 L CB -0.578 41.545 42.059 0.107 0.000 0.893 184 L HN 0.280 nan 8.230 nan 0.000 0.433 185 E N 0.114 120.407 120.200 0.156 0.000 2.097 185 E HA -0.267 4.082 4.350 -0.000 0.000 0.196 185 E C 2.290 178.979 176.600 0.148 0.000 1.000 185 E CA 1.298 57.803 56.400 0.175 0.000 0.804 185 E CB -0.176 29.667 29.700 0.237 0.000 0.740 185 E HN 0.422 nan 8.360 nan 0.000 0.454 186 L N -0.024 121.284 121.223 0.142 0.000 2.072 186 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 186 L C 2.517 179.528 176.870 0.235 0.000 1.079 186 L CA 1.058 56.011 54.840 0.189 0.000 0.752 186 L CB -0.454 41.690 42.059 0.142 0.000 0.906 186 L HN 0.204 nan 8.230 nan 0.000 0.436 187 G N 0.314 109.193 108.800 0.132 0.000 2.433 187 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 187 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 187 G C 1.556 176.524 174.900 0.112 0.000 1.186 187 G CA 0.878 46.041 45.100 0.105 0.000 0.779 187 G HN 0.280 nan 8.290 nan 0.000 0.543 188 I N 1.538 122.155 120.570 0.079 0.000 2.163 188 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 188 I C 3.314 179.446 176.117 0.025 0.000 1.085 188 I CA 1.150 62.473 61.300 0.037 0.000 1.347 188 I CB -0.345 37.677 38.000 0.036 0.000 1.044 188 I HN 0.247 nan 8.210 nan 0.000 0.408 189 A N -0.132 122.719 122.820 0.051 0.000 1.978 189 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 189 A C 2.168 179.696 177.584 -0.093 0.000 1.170 189 A CA 1.523 53.554 52.037 -0.011 0.000 0.636 189 A CB -0.922 18.080 19.000 0.002 0.000 0.810 189 A HN 0.435 nan 8.150 nan 0.000 0.448 190 Y N -0.762 119.538 120.300 0.000 0.000 2.263 190 Y HA -0.113 4.436 4.550 -0.000 0.000 0.292 190 Y C 2.605 178.503 175.900 -0.003 0.000 1.130 190 Y CA 1.778 59.875 58.100 -0.006 0.000 1.179 190 Y CB -0.098 38.352 38.460 -0.018 0.000 0.998 190 Y HN 0.338 nan 8.280 nan 0.000 0.532 191 R N 1.070 121.632 120.500 0.103 0.000 2.070 191 R HA -0.121 4.219 4.340 -0.000 0.000 0.233 191 R C 1.872 178.175 176.300 0.004 0.000 1.137 191 R CA 1.857 57.986 56.100 0.048 0.000 0.945 191 R CB -0.333 29.978 30.300 0.018 0.000 0.845 191 R HN 0.141 nan 8.270 nan 0.000 0.430 192 K N 0.083 120.445 120.400 -0.062 0.000 2.209 192 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 192 K C 1.915 178.613 176.600 0.163 0.000 1.048 192 K CA 1.353 57.605 56.287 -0.058 0.000 0.940 192 K CB -0.160 32.272 32.500 -0.113 0.000 0.729 192 K HN 0.228 nan 8.250 nan 0.000 0.451 193 L N -0.606 120.645 121.223 0.048 0.000 2.376 193 L HA -0.049 4.291 4.340 -0.000 0.000 0.219 193 L C 1.273 178.151 176.870 0.014 0.000 1.133 193 L CA 0.899 55.720 54.840 -0.033 0.000 0.816 193 L CB -0.034 41.883 42.059 -0.236 0.000 0.933 193 L HN 0.525 nan 8.230 nan 0.000 0.449 194 G N -1.054 107.808 108.800 0.103 0.000 2.183 194 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.168 194 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.168 194 G C 0.106 175.068 174.900 0.104 0.000 1.008 194 G CA -0.219 44.964 45.100 0.139 0.000 0.677 194 G HN 0.407 nan 8.290 nan 0.000 0.498 195 A N 0.056 122.942 122.820 0.111 0.000 2.282 195 A HA 0.804 5.124 4.320 -0.000 0.000 0.319 195 A C 0.351 178.008 177.584 0.122 0.000 1.121 195 A CA -0.366 51.751 52.037 0.133 0.000 0.836 195 A CB 0.847 19.967 19.000 0.200 0.000 1.146 195 A HN 0.190 nan 8.150 nan 0.000 0.494 196 Q N -0.006 119.872 119.800 0.131 0.000 2.373 196 Q HA 0.476 4.816 4.340 -0.000 0.000 0.255 196 Q C -0.825 175.233 176.000 0.097 0.000 0.980 196 Q CA 0.166 56.061 55.803 0.154 0.000 0.882 196 Q CB 1.463 30.347 28.738 0.243 0.000 1.249 196 Q HN 0.455 nan 8.270 nan 0.000 0.438 197 V N 1.299 121.252 119.914 0.065 0.000 2.808 197 V HA 0.484 4.604 4.120 -0.000 0.000 0.308 197 V C -0.788 175.288 176.094 -0.030 0.000 1.099 197 V CA -0.643 61.626 62.300 -0.052 0.000 0.920 197 V CB 2.543 34.367 31.823 0.003 0.000 1.014 197 V HN 0.768 nan 8.190 nan 0.000 0.425 198 S N 2.366 118.011 115.700 -0.092 0.000 2.542 198 S HA 0.788 5.258 4.470 -0.000 0.000 0.293 198 S C -0.813 173.788 174.600 0.001 0.000 1.089 198 S CA -0.691 57.531 58.200 0.035 0.000 0.961 198 S CB 2.200 65.531 63.200 0.218 0.000 1.062 198 S HN 0.452 nan 8.310 nan 0.000 0.483 199 V N 2.555 122.481 119.914 0.020 0.000 2.459 199 V HA 0.574 4.694 4.120 -0.000 0.000 0.295 199 V C -0.681 175.446 176.094 0.056 0.000 1.029 199 V CA -0.545 61.763 62.300 0.012 0.000 0.874 199 V CB 1.779 33.604 31.823 0.002 0.000 0.985 199 V HN 0.728 nan 8.190 nan 0.000 0.438 200 V N 4.034 123.977 119.914 0.049 0.000 2.540 200 V HA 0.715 4.835 4.120 -0.000 0.000 0.302 200 V C -0.583 175.542 176.094 0.052 0.000 1.035 200 V CA -0.555 61.787 62.300 0.071 0.000 0.873 200 V CB 1.830 33.684 31.823 0.052 0.000 0.992 200 V HN 0.985 nan 8.190 nan 0.000 0.428 201 E N 3.560 123.801 120.200 0.068 0.000 2.321 201 E HA 0.679 5.029 4.350 -0.000 0.000 0.278 201 E C 0.134 176.780 176.600 0.076 0.000 0.902 201 E CA -0.137 56.297 56.400 0.055 0.000 0.758 201 E CB 1.993 31.718 29.700 0.043 0.000 1.213 201 E HN 0.660 nan 8.360 nan 0.000 0.426 202 A N 4.842 127.697 122.820 0.059 0.000 2.239 202 A HA 0.117 4.437 4.320 -0.000 0.000 0.209 202 A C 0.693 178.305 177.584 0.047 0.000 1.171 202 A CA 0.568 52.639 52.037 0.056 0.000 0.768 202 A CB -0.222 18.799 19.000 0.034 0.000 0.790 202 A HN 0.454 nan 8.150 nan 0.000 0.478 203 R N -1.580 118.948 120.500 0.045 0.000 3.006 203 R HA 0.356 4.696 4.340 -0.000 0.000 0.235 203 R C 0.592 176.921 176.300 0.047 0.000 1.362 203 R CA -0.533 55.590 56.100 0.037 0.000 1.067 203 R CB 0.293 30.609 30.300 0.025 0.000 1.396 203 R HN 0.201 nan 8.270 nan 0.000 0.504 204 E N 1.068 121.292 120.200 0.039 0.000 2.114 204 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 204 E C 0.287 176.913 176.600 0.045 0.000 1.008 204 E CA 1.665 58.090 56.400 0.041 0.000 0.810 204 E CB -0.101 29.620 29.700 0.035 0.000 0.739 204 E HN 0.385 nan 8.360 nan 0.000 0.456 205 R N -1.451 119.075 120.500 0.043 0.000 2.733 205 R HA 0.355 4.695 4.340 -0.000 0.000 0.272 205 R C -0.957 175.372 176.300 0.048 0.000 1.029 205 R CA -0.997 55.130 56.100 0.046 0.000 0.888 205 R CB 0.494 30.824 30.300 0.051 0.000 1.251 205 R HN -0.190 nan 8.270 nan 0.000 0.464 206 I N 2.019 122.620 120.570 0.052 0.000 2.932 206 I HA -0.051 4.119 4.170 -0.000 0.000 0.295 206 I C 1.182 177.348 176.117 0.081 0.000 1.227 206 I CA -0.207 61.129 61.300 0.061 0.000 1.429 206 I CB -0.336 37.699 38.000 0.058 0.000 1.339 206 I HN 0.709 nan 8.210 nan 0.000 0.589 207 L N 7.020 128.295 121.223 0.087 0.000 3.854 207 L HA -0.201 4.139 4.340 -0.000 0.000 0.460 207 L C -1.286 175.606 176.870 0.036 0.000 1.228 207 L CA -0.307 54.591 54.840 0.097 0.000 0.760 207 L CB -1.105 41.108 42.059 0.257 0.000 1.597 207 L HN 0.607 nan 8.230 nan 0.000 0.852 208 P HA -0.189 nan 4.420 nan 0.000 0.229 208 P C 1.259 178.523 177.300 -0.060 0.000 1.150 208 P CA 1.711 64.805 63.100 -0.009 0.000 0.765 208 P CB -0.047 31.651 31.700 -0.003 0.000 0.783 209 T N -3.735 110.710 114.554 -0.180 0.000 2.985 209 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 209 T C 0.499 175.038 174.700 -0.268 0.000 1.076 209 T CA 0.906 62.829 62.100 -0.295 0.000 1.135 209 T CB -0.550 68.013 68.868 -0.508 0.000 0.890 209 T HN 0.020 nan 8.240 nan 0.000 0.480 210 Y N 2.716 123.044 120.300 0.047 0.000 2.360 210 Y HA 0.458 5.008 4.550 -0.000 0.000 0.337 210 Y C 0.206 176.133 175.900 0.046 0.000 1.039 210 Y CA -3.031 55.096 58.100 0.046 0.000 1.109 210 Y CB 0.529 39.017 38.460 0.047 0.000 1.201 210 Y HN 0.168 nan 8.280 nan 0.000 0.458 211 D N -0.676 119.862 120.400 0.229 0.000 2.406 211 D HA -0.024 4.616 4.640 -0.000 0.000 0.234 211 D C 0.612 176.997 176.300 0.142 0.000 1.196 211 D CA 0.253 54.340 54.000 0.145 0.000 0.881 211 D CB 0.774 41.646 40.800 0.119 0.000 1.205 211 D HN 0.433 nan 8.370 nan 0.000 0.453 212 S N 0.271 116.032 115.700 0.103 0.000 2.428 212 S HA -0.163 4.307 4.470 -0.000 0.000 0.230 212 S C 1.603 176.267 174.600 0.106 0.000 1.014 212 S CA 0.712 58.968 58.200 0.093 0.000 0.957 212 S CB -0.455 62.783 63.200 0.063 0.000 0.784 212 S HN 0.733 nan 8.310 nan 0.000 0.499 213 E N 1.262 121.528 120.200 0.109 0.000 2.038 213 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 213 E C 1.979 178.767 176.600 0.313 0.000 1.000 213 E CA 1.197 57.678 56.400 0.136 0.000 0.803 213 E CB -0.205 29.533 29.700 0.063 0.000 0.750 213 E HN 0.377 nan 8.360 nan 0.000 0.448 214 L N 0.359 121.769 121.223 0.312 0.000 2.027 214 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 214 L C 2.357 179.275 176.870 0.081 0.000 1.074 214 L CA 2.032 56.986 54.840 0.189 0.000 0.745 214 L CB -0.457 41.641 42.059 0.066 0.000 0.898 214 L HN 0.151 nan 8.230 nan 0.000 0.433 215 T N -0.572 114.049 114.554 0.111 0.000 3.023 215 T HA 0.001 4.351 4.350 -0.000 0.000 0.266 215 T C 1.878 176.630 174.700 0.087 0.000 1.093 215 T CA 0.770 62.931 62.100 0.101 0.000 1.129 215 T CB -0.305 68.650 68.868 0.146 0.000 0.899 215 T HN 0.453 nan 8.240 nan 0.000 0.491 216 A N 2.436 125.316 122.820 0.100 0.000 1.908 216 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 216 A C 0.156 177.786 177.584 0.076 0.000 1.181 216 A CA 1.175 53.263 52.037 0.085 0.000 0.627 216 A CB -1.580 17.475 19.000 0.092 0.000 0.818 216 A HN 0.356 nan 8.150 nan 0.000 0.445 217 P HA -0.142 nan 4.420 nan 0.000 0.216 217 P C 1.617 178.944 177.300 0.046 0.000 1.153 217 P CA 1.634 64.773 63.100 0.066 0.000 0.858 217 P CB -0.167 31.570 31.700 0.062 0.000 0.789 218 V N 0.136 120.074 119.914 0.040 0.000 2.295 218 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 218 V C 2.502 178.619 176.094 0.039 0.000 1.049 218 V CA 2.161 64.483 62.300 0.038 0.000 1.024 218 V CB -1.884 29.966 31.823 0.045 0.000 0.648 218 V HN 0.106 nan 8.190 nan 0.000 0.447 219 A N -0.129 122.716 122.820 0.043 0.000 1.903 219 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 219 A C 2.199 179.799 177.584 0.026 0.000 1.191 219 A CA 2.089 54.147 52.037 0.034 0.000 0.638 219 A CB -0.566 18.456 19.000 0.037 0.000 0.823 219 A HN 0.526 nan 8.150 nan 0.000 0.451 220 E N 0.340 120.559 120.200 0.032 0.000 2.118 220 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 220 E C 2.399 179.014 176.600 0.024 0.000 0.992 220 E CA 1.477 57.894 56.400 0.028 0.000 0.804 220 E CB -0.498 29.223 29.700 0.036 0.000 0.741 220 E HN 0.695 nan 8.360 nan 0.000 0.458 221 S N 0.899 116.615 115.700 0.026 0.000 2.387 221 S HA -0.091 4.379 4.470 -0.000 0.000 0.226 221 S C 1.957 176.564 174.600 0.012 0.000 1.026 221 S CA 0.516 58.728 58.200 0.021 0.000 0.972 221 S CB -0.096 63.118 63.200 0.022 0.000 0.814 221 S HN 0.074 nan 8.310 nan 0.000 0.477 222 L N 1.953 123.183 121.223 0.012 0.000 2.017 222 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 222 L C 2.263 179.132 176.870 -0.001 0.000 1.073 222 L CA 1.570 56.412 54.840 0.004 0.000 0.745 222 L CB -1.016 41.046 42.059 0.005 0.000 0.894 222 L HN 0.242 nan 8.230 nan 0.000 0.432 223 K N -0.400 120.000 120.400 -0.000 0.000 2.002 223 K HA -0.178 4.141 4.320 -0.000 0.000 0.209 223 K C 2.054 178.656 176.600 0.004 0.000 1.048 223 K CA 1.245 57.530 56.287 -0.004 0.000 0.930 223 K CB -0.205 32.294 32.500 -0.002 0.000 0.714 223 K HN 0.233 nan 8.250 nan 0.000 0.438 224 K N 0.822 121.228 120.400 0.011 0.000 2.113 224 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 224 K C 2.019 178.628 176.600 0.016 0.000 1.047 224 K CA 1.180 57.477 56.287 0.016 0.000 0.928 224 K CB -0.178 32.335 32.500 0.022 0.000 0.716 224 K HN 0.148 nan 8.250 nan 0.000 0.446 225 L N -0.641 120.586 121.223 0.007 0.000 2.418 225 L HA 0.004 4.344 4.340 -0.000 0.000 0.218 225 L C 1.130 178.003 176.870 0.005 0.000 1.125 225 L CA 0.613 55.451 54.840 -0.004 0.000 0.835 225 L CB 0.123 42.161 42.059 -0.035 0.000 0.953 225 L HN 0.462 nan 8.230 nan 0.000 0.454 226 G N 0.450 109.255 108.800 0.009 0.000 2.131 226 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.201 226 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.201 226 G C 0.030 174.942 174.900 0.021 0.000 1.000 226 G CA -0.506 44.604 45.100 0.018 0.000 0.680 226 G HN 0.206 nan 8.290 nan 0.000 0.514 227 I N 1.830 122.403 120.570 0.006 0.000 2.307 227 I HA 0.570 4.740 4.170 -0.000 0.000 0.289 227 I C 1.044 177.143 176.117 -0.030 0.000 1.021 227 I CA -0.437 60.864 61.300 0.002 0.000 1.224 227 I CB 1.374 39.374 38.000 0.000 0.000 1.376 227 I HN 0.322 nan 8.210 nan 0.000 0.470 228 A N 7.514 130.311 122.820 -0.039 0.000 2.425 228 A HA 0.508 4.827 4.320 -0.000 0.000 0.242 228 A C -0.294 177.146 177.584 -0.240 0.000 1.077 228 A CA 0.039 51.983 52.037 -0.155 0.000 0.781 228 A CB 0.446 19.375 19.000 -0.117 0.000 1.020 228 A HN 0.778 nan 8.150 nan 0.000 0.494 229 L N 2.214 123.189 121.223 -0.414 0.000 2.563 229 L HA 0.239 4.579 4.340 -0.000 0.000 0.259 229 L C -1.103 175.573 176.870 -0.323 0.000 1.034 229 L CA -0.357 54.329 54.840 -0.257 0.000 0.899 229 L CB 0.787 42.770 42.059 -0.127 0.000 1.159 229 L HN 0.960 nan 8.230 nan 0.000 0.456 230 H N 3.989 122.998 119.070 -0.102 0.000 2.982 230 H HA 0.299 4.855 4.556 -0.000 0.000 0.261 230 H C 0.098 175.348 175.328 -0.130 0.000 1.603 230 H CA -0.262 55.646 56.048 -0.234 0.000 1.398 230 H CB 0.231 29.771 29.762 -0.369 0.000 1.693 230 H HN 0.383 nan 8.280 nan 0.000 0.535 231 L N 0.346 121.600 121.223 0.051 0.000 2.482 231 L HA 0.188 4.528 4.340 -0.000 0.000 0.242 231 L C 1.721 178.716 176.870 0.208 0.000 1.210 231 L CA 0.288 55.187 54.840 0.099 0.000 0.819 231 L CB 0.345 42.444 42.059 0.067 0.000 1.203 231 L HN 0.822 nan 8.230 nan 0.000 0.495 232 G N -0.940 107.962 108.800 0.169 0.000 2.284 232 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.268 232 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.268 232 G C 0.117 175.134 174.900 0.195 0.000 0.980 232 G CA 0.486 45.688 45.100 0.169 0.000 0.631 232 G HN 0.657 nan 8.290 nan 0.000 0.548 233 H N 0.609 119.705 119.070 0.043 0.000 2.487 233 H HA 0.696 5.252 4.556 -0.000 0.000 0.333 233 H C 0.232 175.571 175.328 0.019 0.000 1.114 233 H CA 0.232 56.297 56.048 0.028 0.000 1.310 233 H CB 1.527 31.307 29.762 0.030 0.000 1.462 233 H HN 0.186 nan 8.280 nan 0.000 0.516 234 S N 1.254 117.008 115.700 0.090 0.000 2.537 234 S HA 0.406 4.876 4.470 -0.000 0.000 0.301 234 S C -0.420 174.209 174.600 0.048 0.000 1.092 234 S CA -0.912 57.319 58.200 0.053 0.000 1.048 234 S CB 1.714 64.926 63.200 0.021 0.000 1.053 234 S HN 0.290 nan 8.310 nan 0.000 0.501 235 V N 2.397 122.332 119.914 0.034 0.000 2.465 235 V HA 0.269 4.389 4.120 -0.000 0.000 0.279 235 V C 1.069 177.176 176.094 0.022 0.000 1.045 235 V CA -0.017 62.300 62.300 0.029 0.000 0.938 235 V CB 1.301 33.131 31.823 0.012 0.000 0.986 235 V HN 1.055 nan 8.190 nan 0.000 0.467 236 E N 2.598 122.815 120.200 0.029 0.000 2.465 236 E HA 0.372 4.722 4.350 -0.000 0.000 0.209 236 E C 0.612 177.234 176.600 0.037 0.000 0.951 236 E CA 0.616 57.031 56.400 0.025 0.000 0.997 236 E CB 1.106 30.816 29.700 0.018 0.000 1.025 236 E HN 0.907 nan 8.360 nan 0.000 0.500 237 G N -0.132 108.704 108.800 0.060 0.000 2.441 237 G HA2 0.264 4.224 3.960 -0.000 0.000 0.294 237 G HA3 0.264 4.224 3.960 -0.000 0.000 0.294 237 G C -2.400 172.606 174.900 0.176 0.000 1.393 237 G CA -0.705 44.448 45.100 0.090 0.000 0.796 237 G HN 0.030 nan 8.290 nan 0.000 0.494 238 Y N 0.965 121.263 120.300 -0.003 0.000 2.344 238 Y HA 0.505 5.055 4.550 -0.000 0.000 0.328 238 Y C -0.577 175.322 175.900 -0.001 0.000 1.067 238 Y CA -1.252 56.847 58.100 -0.002 0.000 1.247 238 Y CB 1.654 40.111 38.460 -0.004 0.000 1.113 238 Y HN 0.349 nan 8.280 nan 0.000 0.465 239 E N 5.639 125.750 120.200 -0.148 0.000 1.856 239 E HA 0.094 4.444 4.350 -0.000 0.000 0.263 239 E C 0.689 177.108 176.600 -0.302 0.000 1.137 239 E CA 0.190 56.492 56.400 -0.163 0.000 1.007 239 E CB 0.196 29.845 29.700 -0.085 0.000 1.117 239 E HN 0.870 nan 8.360 nan 0.000 0.438 240 N N 2.691 121.168 118.700 -0.372 0.000 3.058 240 N HA -0.279 4.461 4.740 -0.000 0.000 0.176 240 N C 1.076 176.212 175.510 -0.624 0.000 0.244 240 N CA 2.621 55.431 53.050 -0.399 0.000 1.993 240 N CB -1.213 37.160 38.487 -0.191 0.000 1.263 240 N HN 0.538 nan 8.380 nan 0.000 0.407 241 G N -0.516 108.058 108.800 -0.376 0.000 3.371 241 G HA2 0.393 4.353 3.960 -0.000 0.000 0.248 241 G HA3 0.393 4.353 3.960 -0.000 0.000 0.248 241 G C 0.182 174.973 174.900 -0.183 0.000 1.161 241 G CA 0.726 45.666 45.100 -0.267 0.000 0.796 241 G HN 0.733 nan 8.290 nan 0.000 0.539 242 C N -0.065 119.070 119.300 -0.275 0.000 2.985 242 C HA 0.748 5.208 4.460 -0.000 0.000 0.332 242 C C -0.986 174.075 174.990 0.118 0.000 1.164 242 C CA -1.263 57.749 59.018 -0.011 0.000 1.347 242 C CB 0.830 28.551 27.740 -0.032 0.000 1.764 242 C HN 0.250 nan 8.230 nan 0.000 0.489 243 L N 5.269 126.643 121.223 0.251 0.000 2.334 243 L HA 0.825 5.165 4.340 -0.000 0.000 0.273 243 L C -1.455 175.490 176.870 0.126 0.000 1.013 243 L CA -0.611 54.398 54.840 0.282 0.000 0.816 243 L CB 1.370 43.559 42.059 0.217 0.000 1.278 243 L HN 0.603 nan 8.230 nan 0.000 0.431 244 L N 4.355 125.639 121.223 0.101 0.000 2.385 244 L HA 0.834 5.174 4.340 -0.000 0.000 0.273 244 L C -0.291 176.612 176.870 0.055 0.000 0.990 244 L CA -0.417 54.458 54.840 0.059 0.000 0.821 244 L CB 1.164 43.249 42.059 0.043 0.000 1.279 244 L HN 0.810 nan 8.230 nan 0.000 0.412 245 A N 3.475 126.329 122.820 0.057 0.000 2.556 245 A HA 0.775 5.095 4.320 -0.000 0.000 0.294 245 A C -1.129 176.488 177.584 0.055 0.000 1.091 245 A CA -0.634 51.446 52.037 0.072 0.000 0.704 245 A CB 2.591 21.660 19.000 0.116 0.000 1.300 245 A HN 0.759 nan 8.150 nan 0.000 0.406 246 N N 0.363 119.059 118.700 -0.007 0.000 2.262 246 N HA 0.459 5.199 4.740 -0.000 0.000 0.295 246 N C -2.078 173.286 175.510 -0.244 0.000 1.161 246 N CA -0.294 52.694 53.050 -0.104 0.000 0.767 246 N CB 2.300 40.753 38.487 -0.056 0.000 1.499 246 N HN 0.657 nan 8.380 nan 0.000 0.476 247 D N 1.230 121.404 120.400 -0.376 0.000 2.460 247 D HA 0.403 5.043 4.640 -0.000 0.000 0.232 247 D C 1.324 177.528 176.300 -0.160 0.000 1.079 247 D CA -0.405 53.387 54.000 -0.347 0.000 0.864 247 D CB 1.081 41.565 40.800 -0.527 0.000 1.048 247 D HN 0.809 nan 8.370 nan 0.000 0.523 248 G N 3.876 112.616 108.800 -0.099 0.000 3.776 248 G HA2 -0.560 3.400 3.960 -0.000 0.000 0.306 248 G HA3 -0.560 3.400 3.960 -0.000 0.000 0.306 248 G C 1.175 176.048 174.900 -0.045 0.000 2.000 248 G CA 1.688 46.756 45.100 -0.054 0.000 2.201 248 G HN 0.542 nan 8.290 nan 0.000 0.893 249 K N 0.221 120.593 120.400 -0.046 0.000 2.025 249 K HA 0.502 4.822 4.320 -0.000 0.000 0.211 249 K C 1.341 177.917 176.600 -0.040 0.000 1.029 249 K CA 1.181 57.448 56.287 -0.033 0.000 0.948 249 K CB -0.362 32.122 32.500 -0.026 0.000 0.768 249 K HN 1.262 nan 8.250 nan 0.000 0.446 250 G N -0.368 108.403 108.800 -0.049 0.000 2.152 250 G HA2 0.520 4.479 3.960 -0.000 0.000 0.290 250 G HA3 0.520 4.479 3.960 -0.000 0.000 0.290 250 G C -0.856 174.011 174.900 -0.055 0.000 1.307 250 G CA -0.228 44.843 45.100 -0.047 0.000 1.289 250 G HN 0.447 nan 8.290 nan 0.000 0.612 251 G N 0.717 109.466 108.800 -0.086 0.000 2.695 251 G HA2 0.762 4.722 3.960 -0.000 0.000 0.290 251 G HA3 0.762 4.722 3.960 -0.000 0.000 0.290 251 G C -0.632 174.220 174.900 -0.081 0.000 1.410 251 G CA -0.580 44.464 45.100 -0.095 0.000 0.844 251 G HN 0.834 nan 8.290 nan 0.000 0.478 252 Q N -0.678 119.108 119.800 -0.023 0.000 2.990 252 Q HA 0.907 5.247 4.340 -0.000 0.000 0.255 252 Q C -0.469 175.579 176.000 0.080 0.000 1.040 252 Q CA -1.196 54.614 55.803 0.013 0.000 0.897 252 Q CB 1.696 30.445 28.738 0.019 0.000 1.429 252 Q HN 0.691 nan 8.270 nan 0.000 0.497 253 L N -0.352 120.905 121.223 0.056 0.000 5.535 253 L HA 0.115 4.455 4.340 -0.000 0.000 0.238 253 L C -1.736 175.138 176.870 0.007 0.000 1.179 253 L CA -0.475 54.380 54.840 0.025 0.000 0.842 253 L CB 0.703 42.754 42.059 -0.012 0.000 1.542 253 L HN 0.657 nan 8.230 nan 0.000 0.313 254 R N 3.630 124.127 120.500 -0.005 0.000 2.320 254 R HA 0.693 5.033 4.340 -0.000 0.000 0.319 254 R C -1.098 175.201 176.300 -0.002 0.000 0.969 254 R CA -0.538 55.566 56.100 0.007 0.000 0.857 254 R CB 1.272 31.575 30.300 0.005 0.000 1.160 254 R HN 0.166 nan 8.270 nan 0.000 0.491 255 L N 2.840 124.077 121.223 0.022 0.000 2.287 255 L HA 0.343 4.683 4.340 -0.000 0.000 0.287 255 L C -0.061 176.861 176.870 0.087 0.000 1.022 255 L CA -0.650 54.217 54.840 0.046 0.000 0.814 255 L CB 1.414 43.544 42.059 0.118 0.000 1.217 255 L HN 0.469 nan 8.230 nan 0.000 0.420 256 E N 3.409 123.623 120.200 0.024 0.000 2.070 256 E HA 0.518 4.867 4.350 -0.000 0.000 0.282 256 E C -0.345 176.350 176.600 0.159 0.000 1.104 256 E CA -0.134 56.302 56.400 0.060 0.000 0.876 256 E CB 1.213 30.911 29.700 -0.003 0.000 1.055 256 E HN 0.558 nan 8.360 nan 0.000 0.401 257 A N 2.986 125.994 122.820 0.314 0.000 2.374 257 A HA 0.466 4.786 4.320 -0.000 0.000 0.317 257 A C 0.100 177.884 177.584 0.333 0.000 1.094 257 A CA -0.746 51.531 52.037 0.399 0.000 0.765 257 A CB 0.907 20.061 19.000 0.257 0.000 1.268 257 A HN 0.512 nan 8.150 nan 0.000 0.438 258 D N 0.688 121.224 120.400 0.226 0.000 2.535 258 D HA 0.183 4.823 4.640 -0.000 0.000 0.229 258 D C -0.137 176.230 176.300 0.111 0.000 1.238 258 D CA -0.026 54.099 54.000 0.208 0.000 0.824 258 D CB 0.372 41.253 40.800 0.135 0.000 1.045 258 D HN 0.386 nan 8.370 nan 0.000 0.500 259 R N -0.065 120.434 120.500 -0.001 0.000 2.633 259 R HA 0.399 4.739 4.340 -0.000 0.000 0.255 259 R C -1.759 174.395 176.300 -0.242 0.000 1.106 259 R CA -0.546 55.477 56.100 -0.128 0.000 0.959 259 R CB 2.150 32.368 30.300 -0.138 0.000 1.259 259 R HN -0.087 nan 8.270 nan 0.000 0.453 260 V N 3.143 122.864 119.914 -0.321 0.000 2.876 260 V HA 0.631 4.751 4.120 -0.000 0.000 0.312 260 V C -0.536 175.404 176.094 -0.256 0.000 1.085 260 V CA -0.968 61.128 62.300 -0.340 0.000 0.945 260 V CB 2.858 34.376 31.823 -0.509 0.000 1.017 260 V HN 0.636 nan 8.190 nan 0.000 0.428 261 L N 3.631 124.727 121.223 -0.212 0.000 2.491 261 L HA 0.620 4.960 4.340 -0.000 0.000 0.267 261 L C -1.257 175.533 176.870 -0.134 0.000 0.971 261 L CA -0.475 54.261 54.840 -0.174 0.000 0.857 261 L CB 1.762 43.704 42.059 -0.196 0.000 1.226 261 L HN 0.514 nan 8.230 nan 0.000 0.408 262 V N 4.247 124.094 119.914 -0.113 0.000 2.461 262 V HA 0.539 4.659 4.120 -0.000 0.000 0.275 262 V C 0.756 176.804 176.094 -0.076 0.000 1.047 262 V CA 0.130 62.379 62.300 -0.087 0.000 0.955 262 V CB 1.095 32.872 31.823 -0.075 0.000 0.988 262 V HN 0.850 nan 8.190 nan 0.000 0.471 263 A N 4.098 126.877 122.820 -0.069 0.000 3.365 263 A HA 0.490 4.810 4.320 -0.000 0.000 0.258 263 A C 0.376 177.922 177.584 -0.065 0.000 0.964 263 A CA 0.098 52.092 52.037 -0.072 0.000 0.988 263 A CB 0.771 19.725 19.000 -0.076 0.000 1.193 263 A HN 1.146 nan 8.150 nan 0.000 0.508 264 V N -2.469 117.413 119.914 -0.054 0.000 3.577 264 V HA 0.626 4.746 4.120 -0.000 0.000 0.294 264 V C 0.661 176.731 176.094 -0.040 0.000 1.317 264 V CA 0.541 62.816 62.300 -0.041 0.000 1.169 264 V CB -0.816 30.988 31.823 -0.032 0.000 1.011 264 V HN 1.745 nan 8.190 nan 0.000 0.426 265 G N 0.090 108.859 108.800 -0.052 0.000 2.361 265 G HA2 0.241 4.201 3.960 -0.000 0.000 0.331 265 G HA3 0.241 4.201 3.960 -0.000 0.000 0.331 265 G C -1.189 173.686 174.900 -0.041 0.000 1.324 265 G CA -1.013 44.060 45.100 -0.045 0.000 0.984 265 G HN 0.362 nan 8.290 nan 0.000 0.586 266 R N -0.064 120.420 120.500 -0.027 0.000 2.574 266 R HA 0.536 4.876 4.340 -0.000 0.000 0.288 266 R C 0.017 176.315 176.300 -0.004 0.000 1.004 266 R CA -0.916 55.174 56.100 -0.017 0.000 0.895 266 R CB 2.151 32.442 30.300 -0.015 0.000 1.191 266 R HN 0.816 nan 8.270 nan 0.000 0.444 267 R N 1.948 122.448 120.500 -0.000 0.000 2.460 267 R HA 0.502 4.841 4.340 -0.000 0.000 0.303 267 R C -2.650 173.659 176.300 0.016 0.000 0.968 267 R CA -2.156 53.947 56.100 0.005 0.000 0.889 267 R CB 0.880 31.180 30.300 -0.001 0.000 1.123 267 R HN 0.147 nan 8.270 nan 0.000 0.455 268 P HA -0.157 nan 4.420 nan 0.000 0.263 268 P C -0.908 176.424 177.300 0.052 0.000 1.168 268 P CA 0.257 63.377 63.100 0.035 0.000 0.759 268 P CB 0.421 32.138 31.700 0.029 0.000 0.782 269 R N 2.478 123.032 120.500 0.091 0.000 2.230 269 R HA 0.302 4.642 4.340 -0.000 0.000 0.337 269 R C 0.069 176.511 176.300 0.238 0.000 1.063 269 R CA 0.097 56.284 56.100 0.144 0.000 0.935 269 R CB -0.315 30.082 30.300 0.162 0.000 1.121 269 R HN 0.362 nan 8.270 nan 0.000 0.486 270 T N 2.532 117.140 114.554 0.090 0.000 3.040 270 T HA 0.176 4.526 4.350 -0.000 0.000 0.266 270 T C -0.159 174.341 174.700 -0.334 0.000 1.005 270 T CA -0.031 62.024 62.100 -0.075 0.000 0.906 270 T CB 0.227 69.061 68.868 -0.056 0.000 1.082 270 T HN 0.378 nan 8.240 nan 0.000 0.531 271 K N -0.071 120.211 120.400 -0.197 0.000 2.395 271 K HA 0.546 4.866 4.320 -0.000 0.000 0.247 271 K C 0.483 177.008 176.600 -0.124 0.000 0.973 271 K CA -0.105 56.044 56.287 -0.230 0.000 0.828 271 K CB 1.693 34.121 32.500 -0.120 0.000 1.272 271 K HN 0.057 nan 8.250 nan 0.000 0.439 272 G N 1.482 110.206 108.800 -0.127 0.000 2.213 272 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.226 272 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.226 272 G C -0.485 174.455 174.900 0.066 0.000 0.992 272 G CA 0.342 45.427 45.100 -0.025 0.000 0.632 272 G HN 0.571 nan 8.290 nan 0.000 0.511 273 F N -0.781 119.161 119.950 -0.014 0.000 2.588 273 F HA 0.788 5.315 4.527 -0.000 0.000 0.314 273 F C -0.134 175.673 175.800 0.012 0.000 1.069 273 F CA -1.987 56.022 58.000 0.015 0.000 0.931 273 F CB 1.035 40.068 39.000 0.055 0.000 1.260 273 F HN -0.118 nan 8.300 nan 0.000 0.465 274 N N 2.214 120.941 118.700 0.046 0.000 2.926 274 N HA 0.048 4.788 4.740 -0.000 0.000 0.284 274 N C 0.748 176.207 175.510 -0.085 0.000 1.303 274 N CA 0.272 53.297 53.050 -0.042 0.000 1.062 274 N CB -0.434 38.074 38.487 0.034 0.000 1.389 274 N HN 0.880 nan 8.380 nan 0.000 0.538 275 L N -0.250 120.791 121.223 -0.303 0.000 2.275 275 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 275 L C 1.256 178.045 176.870 -0.134 0.000 1.119 275 L CA 1.030 55.739 54.840 -0.219 0.000 0.790 275 L CB 0.086 41.879 42.059 -0.444 0.000 0.919 275 L HN 0.306 nan 8.230 nan 0.000 0.443 276 E N -1.392 118.714 120.200 -0.156 0.000 2.268 276 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 276 E C 1.983 178.547 176.600 -0.059 0.000 0.995 276 E CA 0.805 57.144 56.400 -0.101 0.000 0.836 276 E CB -0.283 29.355 29.700 -0.102 0.000 0.763 276 E HN 0.412 nan 8.360 nan 0.000 0.491 277 C N 0.750 120.024 119.300 -0.043 0.000 2.485 277 C HA 0.046 4.506 4.460 -0.000 0.000 0.283 277 C C 0.139 175.121 174.990 -0.014 0.000 1.478 277 C CA -0.049 58.957 59.018 -0.020 0.000 1.741 277 C CB -1.419 26.319 27.740 -0.004 0.000 1.675 277 C HN 0.153 nan 8.230 nan 0.000 0.573 278 L N 0.617 121.829 121.223 -0.018 0.000 2.354 278 L HA 0.350 4.689 4.340 -0.000 0.000 0.269 278 L C 0.427 177.286 176.870 -0.019 0.000 1.005 278 L CA -0.137 54.696 54.840 -0.012 0.000 0.819 278 L CB 0.861 42.920 42.059 -0.001 0.000 1.311 278 L HN 0.033 nan 8.230 nan 0.000 0.423 279 D N 1.030 121.420 120.400 -0.017 0.000 2.813 279 D HA 0.018 4.658 4.640 -0.000 0.000 0.248 279 D C -0.039 176.247 176.300 -0.023 0.000 1.254 279 D CA -0.068 53.919 54.000 -0.020 0.000 0.921 279 D CB -0.415 40.374 40.800 -0.018 0.000 1.118 279 D HN 0.014 nan 8.370 nan 0.000 0.450 280 L N 0.828 122.037 121.223 -0.025 0.000 2.305 280 L HA 0.200 4.540 4.340 -0.000 0.000 0.281 280 L C 0.709 177.564 176.870 -0.024 0.000 1.085 280 L CA -0.395 54.429 54.840 -0.026 0.000 0.813 280 L CB 0.981 43.027 42.059 -0.022 0.000 1.157 280 L HN -0.061 nan 8.230 nan 0.000 0.436 281 K N 4.101 124.486 120.400 -0.024 0.000 2.382 281 K HA 0.296 4.615 4.320 -0.000 0.000 0.275 281 K C -0.431 176.159 176.600 -0.017 0.000 1.009 281 K CA 0.171 56.447 56.287 -0.020 0.000 0.970 281 K CB 0.557 33.046 32.500 -0.019 0.000 0.934 281 K HN 0.584 nan 8.250 nan 0.000 0.479 282 M N 1.845 121.436 119.600 -0.015 0.000 2.777 282 M HA 0.245 4.725 4.480 -0.000 0.000 0.307 282 M C -0.247 176.049 176.300 -0.007 0.000 1.228 282 M CA -0.733 54.560 55.300 -0.011 0.000 0.871 282 M CB 1.661 34.252 32.600 -0.015 0.000 1.721 282 M HN 0.542 nan 8.290 nan 0.000 0.487 283 N N 0.445 119.142 118.700 -0.004 0.000 2.750 283 N HA 0.431 5.171 4.740 -0.000 0.000 0.253 283 N C -0.169 175.341 175.510 0.000 0.000 1.408 283 N CA 0.467 53.518 53.050 0.001 0.000 0.780 283 N CB 0.647 39.138 38.487 0.006 0.000 1.191 283 N HN 0.912 nan 8.380 nan 0.000 0.511 284 G N 1.644 110.443 108.800 -0.003 0.000 2.574 284 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.286 284 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.286 284 G C 0.928 175.824 174.900 -0.007 0.000 1.212 284 G CA 0.140 45.237 45.100 -0.004 0.000 0.979 284 G HN 0.925 nan 8.290 nan 0.000 0.557 285 A N 0.260 123.077 122.820 -0.005 0.000 2.248 285 A HA 0.591 4.911 4.320 -0.000 0.000 0.210 285 A C 1.449 179.032 177.584 -0.001 0.000 1.174 285 A CA 2.218 54.251 52.037 -0.006 0.000 0.750 285 A CB -0.743 18.254 19.000 -0.004 0.000 0.780 285 A HN 2.356 nan 8.150 nan 0.000 0.478 286 A N -0.641 122.180 122.820 0.003 0.000 2.350 286 A HA 0.699 5.019 4.320 -0.000 0.000 0.318 286 A C -0.180 177.408 177.584 0.007 0.000 1.132 286 A CA -0.755 51.287 52.037 0.010 0.000 0.811 286 A CB 0.573 19.581 19.000 0.014 0.000 1.313 286 A HN 0.249 nan 8.150 nan 0.000 0.454 287 I N 1.492 122.070 120.570 0.014 0.000 2.556 287 I HA 0.312 4.482 4.170 -0.000 0.000 0.284 287 I C 0.973 177.093 176.117 0.005 0.000 1.114 287 I CA 0.003 61.308 61.300 0.009 0.000 1.418 287 I CB 1.060 39.073 38.000 0.022 0.000 1.394 287 I HN 0.683 nan 8.210 nan 0.000 0.552 288 A N 7.608 130.426 122.820 -0.003 0.000 2.354 288 A HA 0.688 5.008 4.320 -0.000 0.000 0.269 288 A C -0.425 177.155 177.584 -0.007 0.000 1.109 288 A CA -0.230 51.806 52.037 -0.002 0.000 0.800 288 A CB 0.246 19.243 19.000 -0.005 0.000 1.045 288 A HN 0.660 nan 8.150 nan 0.000 0.489 289 I N -0.731 119.840 120.570 0.001 0.000 2.894 289 I HA 0.606 4.775 4.170 -0.000 0.000 0.302 289 I C -0.554 175.572 176.117 0.015 0.000 1.188 289 I CA -1.002 60.297 61.300 -0.002 0.000 1.014 289 I CB 1.999 40.002 38.000 0.004 0.000 1.242 289 I HN 0.612 nan 8.210 nan 0.000 0.430 290 D N 3.218 123.628 120.400 0.016 0.000 2.506 290 D HA 0.106 4.746 4.640 -0.000 0.000 0.272 290 D C 0.765 177.110 176.300 0.076 0.000 1.214 290 D CA -0.262 53.762 54.000 0.041 0.000 1.067 290 D CB 0.403 41.222 40.800 0.031 0.000 1.117 290 D HN 0.776 nan 8.370 nan 0.000 0.578 291 E N -0.286 119.974 120.200 0.101 0.000 2.463 291 E HA -0.202 4.148 4.350 -0.000 0.000 0.201 291 E C 0.780 177.479 176.600 0.165 0.000 1.045 291 E CA 0.654 57.145 56.400 0.151 0.000 0.872 291 E CB -0.270 29.514 29.700 0.141 0.000 0.797 291 E HN 0.407 nan 8.360 nan 0.000 0.538 292 R N -0.264 120.327 120.500 0.152 0.000 2.468 292 R HA 0.210 4.550 4.340 -0.000 0.000 0.280 292 R C 0.162 176.626 176.300 0.274 0.000 0.963 292 R CA 0.219 56.447 56.100 0.213 0.000 1.083 292 R CB -0.168 30.285 30.300 0.253 0.000 1.200 292 R HN 0.133 nan 8.270 nan 0.000 0.541 293 C N 1.441 120.835 119.300 0.156 0.000 4.331 293 C HA -0.187 4.273 4.460 -0.000 0.000 0.293 293 C C 0.717 175.821 174.990 0.190 0.000 1.436 293 C CA 0.857 59.961 59.018 0.142 0.000 1.993 293 C CB -2.314 25.506 27.740 0.133 0.000 1.266 293 C HN 0.591 nan 8.230 nan 0.000 0.795 294 Q N 0.356 120.164 119.800 0.012 0.000 2.245 294 Q HA 0.514 4.854 4.340 -0.000 0.000 0.256 294 Q C 0.904 176.770 176.000 -0.224 0.000 0.942 294 Q CA 0.283 55.862 55.803 -0.374 0.000 0.896 294 Q CB 1.497 29.825 28.738 -0.684 0.000 1.272 294 Q HN 0.682 nan 8.270 nan 0.000 0.442 295 T N -0.686 113.720 114.554 -0.247 0.000 2.801 295 T HA 0.077 4.427 4.350 -0.000 0.000 0.324 295 T C 1.223 175.852 174.700 -0.119 0.000 1.088 295 T CA 0.104 62.125 62.100 -0.132 0.000 0.975 295 T CB 0.328 69.135 68.868 -0.102 0.000 1.316 295 T HN 0.682 nan 8.240 nan 0.000 0.533 296 S N -0.933 114.722 115.700 -0.075 0.000 2.561 296 S HA 0.107 4.577 4.470 -0.000 0.000 0.225 296 S C 0.721 175.286 174.600 -0.060 0.000 0.977 296 S CA -0.180 57.983 58.200 -0.060 0.000 0.926 296 S CB -0.641 62.535 63.200 -0.040 0.000 0.769 296 S HN 0.677 nan 8.310 nan 0.000 0.533 297 M N 2.396 121.953 119.600 -0.071 0.000 2.055 297 M HA 0.271 4.751 4.480 -0.000 0.000 0.347 297 M C 1.047 177.308 176.300 -0.065 0.000 1.123 297 M CA -0.472 54.800 55.300 -0.046 0.000 1.035 297 M CB 0.585 33.162 32.600 -0.038 0.000 1.484 297 M HN 0.298 nan 8.290 nan 0.000 0.428 298 H N 4.164 123.148 119.070 -0.143 0.000 1.689 298 H HA -0.313 4.243 4.556 -0.000 0.000 0.129 298 H C 0.091 175.278 175.328 -0.236 0.000 1.102 298 H CA 2.995 58.948 56.048 -0.158 0.000 1.817 298 H CB -0.147 29.572 29.762 -0.071 0.000 2.178 298 H HN 0.774 nan 8.280 nan 0.000 0.942 299 N N -0.121 118.438 118.700 -0.235 0.000 2.484 299 N HA 0.184 4.924 4.740 -0.000 0.000 0.245 299 N C -1.147 174.287 175.510 -0.128 0.000 1.184 299 N CA -0.187 52.758 53.050 -0.175 0.000 0.884 299 N CB 0.667 38.987 38.487 -0.278 0.000 1.182 299 N HN -0.030 nan 8.380 nan 0.000 0.493 300 V N 0.692 120.354 119.914 -0.420 0.000 2.555 300 V HA 0.460 4.580 4.120 -0.000 0.000 0.302 300 V C -0.819 174.882 176.094 -0.654 0.000 1.038 300 V CA -0.744 61.387 62.300 -0.281 0.000 0.887 300 V CB 1.032 32.784 31.823 -0.118 0.000 0.991 300 V HN 0.220 nan 8.190 nan 0.000 0.434 301 W N 2.198 123.520 121.300 0.036 0.000 2.915 301 W HA 0.833 5.493 4.660 -0.000 0.000 0.337 301 W C -0.219 176.301 176.519 0.002 0.000 1.102 301 W CA -0.587 56.766 57.345 0.013 0.000 1.224 301 W CB 2.139 31.596 29.460 -0.004 0.000 1.416 301 W HN 0.700 nan 8.180 nan 0.000 0.503 302 A N 4.203 127.118 122.820 0.159 0.000 2.393 302 A HA 0.942 5.262 4.320 -0.000 0.000 0.306 302 A C -1.008 176.602 177.584 0.043 0.000 1.050 302 A CA -0.812 51.276 52.037 0.087 0.000 0.724 302 A CB 1.078 20.106 19.000 0.047 0.000 1.248 302 A HN 0.821 nan 8.150 nan 0.000 0.424 303 I N -1.081 119.493 120.570 0.007 0.000 3.095 303 I HA 0.906 5.076 4.170 -0.000 0.000 0.310 303 I C 0.481 176.562 176.117 -0.059 0.000 1.196 303 I CA -0.285 60.981 61.300 -0.055 0.000 0.985 303 I CB 1.892 39.846 38.000 -0.076 0.000 1.250 303 I HN 1.807 nan 8.210 nan 0.000 0.446 304 G N 3.075 111.820 108.800 -0.092 0.000 2.569 304 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.259 304 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.259 304 G C 0.096 174.973 174.900 -0.037 0.000 1.263 304 G CA 0.759 45.816 45.100 -0.072 0.000 0.928 304 G HN 0.856 nan 8.290 nan 0.000 0.572 305 D N -0.580 119.807 120.400 -0.022 0.000 2.182 305 D HA -0.023 4.617 4.640 -0.000 0.000 0.201 305 D C 2.476 178.785 176.300 0.014 0.000 0.986 305 D CA 1.254 55.255 54.000 0.001 0.000 0.847 305 D CB -0.289 40.516 40.800 0.008 0.000 0.942 305 D HN 0.379 nan 8.370 nan 0.000 0.467 306 V N 0.415 120.342 119.914 0.021 0.000 2.720 306 V HA -0.136 3.984 4.120 -0.000 0.000 0.256 306 V C 1.861 177.973 176.094 0.031 0.000 1.082 306 V CA 1.636 63.962 62.300 0.043 0.000 1.101 306 V CB -0.286 31.578 31.823 0.067 0.000 0.693 306 V HN 0.228 nan 8.190 nan 0.000 0.479 307 A N -1.441 121.386 122.820 0.013 0.000 2.307 307 A HA 0.474 4.794 4.320 -0.000 0.000 0.218 307 A C 1.891 179.482 177.584 0.011 0.000 1.228 307 A CA 1.164 53.205 52.037 0.006 0.000 0.857 307 A CB -0.497 18.494 19.000 -0.015 0.000 0.897 307 A HN 0.968 nan 8.150 nan 0.000 0.495 308 G N 0.219 109.027 108.800 0.014 0.000 3.581 308 G HA2 -0.482 3.478 3.960 -0.000 0.000 0.336 308 G HA3 -0.482 3.478 3.960 -0.000 0.000 0.336 308 G C 0.754 175.668 174.900 0.024 0.000 1.259 308 G CA 0.987 46.099 45.100 0.019 0.000 1.001 308 G HN 0.601 nan 8.290 nan 0.000 0.662 309 E N 1.265 121.484 120.200 0.030 0.000 3.722 309 E HA -0.247 4.103 4.350 -0.000 0.000 0.458 309 E C -1.748 174.884 176.600 0.053 0.000 1.676 309 E CA 1.769 58.196 56.400 0.045 0.000 1.600 309 E CB -1.378 28.357 29.700 0.057 0.000 1.361 309 E HN 0.550 nan 8.360 nan 0.000 0.371 310 P HA 0.097 nan 4.420 nan 0.000 0.280 310 P C -0.686 176.641 177.300 0.045 0.000 1.300 310 P CA 0.593 63.733 63.100 0.066 0.000 0.785 310 P CB 0.276 32.026 31.700 0.083 0.000 0.874 311 M N 4.654 124.289 119.600 0.057 0.000 3.268 311 M HA 0.138 4.618 4.480 -0.000 0.000 0.249 311 M C -0.511 175.827 176.300 0.063 0.000 1.527 311 M CA 0.647 55.978 55.300 0.052 0.000 1.645 311 M CB -0.865 31.774 32.600 0.065 0.000 1.193 311 M HN 0.226 nan 8.290 nan 0.000 0.534 312 L N -0.259 120.948 121.223 -0.027 0.000 2.422 312 L HA 0.567 4.907 4.340 -0.000 0.000 0.264 312 L C 1.030 177.768 176.870 -0.220 0.000 0.984 312 L CA -0.601 54.164 54.840 -0.125 0.000 0.819 312 L CB 1.602 43.481 42.059 -0.300 0.000 1.330 312 L HN 0.485 nan 8.230 nan 0.000 0.410 313 A N 1.434 124.170 122.820 -0.140 0.000 1.869 313 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 313 A C 1.976 179.499 177.584 -0.102 0.000 1.203 313 A CA 2.330 54.319 52.037 -0.082 0.000 0.638 313 A CB -1.086 17.936 19.000 0.037 0.000 0.831 313 A HN 0.976 nan 8.150 nan 0.000 0.450 314 H N -0.958 118.136 119.070 0.040 0.000 2.518 314 H HA -0.118 4.438 4.556 -0.000 0.000 0.292 314 H C 1.954 177.327 175.328 0.075 0.000 1.068 314 H CA 1.423 57.501 56.048 0.051 0.000 1.275 314 H CB -0.570 29.230 29.762 0.064 0.000 1.375 314 H HN 0.624 nan 8.280 nan 0.000 0.563 315 R N 1.081 121.486 120.500 -0.158 0.000 2.075 315 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 315 R C 2.449 178.719 176.300 -0.049 0.000 1.114 315 R CA 1.013 57.111 56.100 -0.002 0.000 0.972 315 R CB -0.058 30.222 30.300 -0.034 0.000 0.869 315 R HN 0.332 nan 8.270 nan 0.000 0.437 316 A N 0.942 123.705 122.820 -0.095 0.000 1.855 316 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 316 A C 2.197 179.718 177.584 -0.106 0.000 1.191 316 A CA 1.291 53.258 52.037 -0.116 0.000 0.613 316 A CB -0.465 18.463 19.000 -0.121 0.000 0.829 316 A HN 0.306 nan 8.150 nan 0.000 0.442 317 M N -0.419 119.135 119.600 -0.077 0.000 2.106 317 M HA -0.224 4.256 4.480 -0.000 0.000 0.259 317 M C 2.319 178.615 176.300 -0.007 0.000 1.068 317 M CA 1.683 56.953 55.300 -0.051 0.000 1.100 317 M CB -0.297 32.305 32.600 0.003 0.000 1.351 317 M HN 0.493 nan 8.290 nan 0.000 0.404 318 A N -1.049 121.797 122.820 0.043 0.000 2.119 318 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 318 A C 1.885 179.493 177.584 0.040 0.000 1.152 318 A CA 0.963 53.062 52.037 0.102 0.000 0.708 318 A CB -0.322 18.830 19.000 0.253 0.000 0.805 318 A HN 0.555 nan 8.150 nan 0.000 0.460 319 Q N -0.835 118.894 119.800 -0.118 0.000 2.165 319 Q HA 0.029 4.369 4.340 -0.000 0.000 0.197 319 Q C 2.234 178.151 176.000 -0.138 0.000 0.952 319 Q CA 0.673 56.325 55.803 -0.252 0.000 0.848 319 Q CB -0.272 28.229 28.738 -0.395 0.000 0.931 319 Q HN 0.638 nan 8.270 nan 0.000 0.470 320 G N 2.025 110.757 108.800 -0.113 0.000 2.628 320 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.217 320 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.217 320 G C 1.183 176.029 174.900 -0.091 0.000 1.240 320 G CA 1.424 46.464 45.100 -0.100 0.000 0.792 320 G HN 0.537 nan 8.290 nan 0.000 0.593 321 E N -0.253 119.911 120.200 -0.059 0.000 2.171 321 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 321 E C 2.298 178.863 176.600 -0.058 0.000 0.997 321 E CA 1.535 57.905 56.400 -0.050 0.000 0.810 321 E CB -0.312 29.378 29.700 -0.016 0.000 0.738 321 E HN 0.525 nan 8.360 nan 0.000 0.467 322 M N 0.233 119.808 119.600 -0.042 0.000 2.200 322 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 322 M C 1.990 178.228 176.300 -0.102 0.000 1.066 322 M CA 0.943 56.225 55.300 -0.031 0.000 1.127 322 M CB 0.181 32.803 32.600 0.038 0.000 1.379 322 M HN 0.166 nan 8.290 nan 0.000 0.420 323 V N 0.934 120.755 119.914 -0.156 0.000 2.295 323 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 323 V C 2.686 178.545 176.094 -0.393 0.000 1.049 323 V CA 1.938 64.051 62.300 -0.312 0.000 1.024 323 V CB -1.196 30.460 31.823 -0.279 0.000 0.648 323 V HN 0.632 nan 8.190 nan 0.000 0.447 324 A N -0.120 122.538 122.820 -0.271 0.000 1.873 324 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 324 A C 2.115 179.569 177.584 -0.216 0.000 1.193 324 A CA 2.212 54.104 52.037 -0.242 0.000 0.629 324 A CB -0.570 18.335 19.000 -0.158 0.000 0.826 324 A HN 0.670 nan 8.150 nan 0.000 0.447 325 E N -0.424 119.680 120.200 -0.159 0.000 2.150 325 E HA -0.126 4.223 4.350 -0.000 0.000 0.193 325 E C 1.886 178.402 176.600 -0.140 0.000 0.985 325 E CA 1.121 57.449 56.400 -0.121 0.000 0.814 325 E CB -0.314 29.343 29.700 -0.072 0.000 0.752 325 E HN 0.731 nan 8.360 nan 0.000 0.466 326 I N 1.008 121.466 120.570 -0.187 0.000 2.252 326 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 326 I C 2.396 178.368 176.117 -0.243 0.000 1.102 326 I CA 0.994 62.188 61.300 -0.176 0.000 1.385 326 I CB -0.212 37.678 38.000 -0.182 0.000 1.064 326 I HN 0.084 nan 8.210 nan 0.000 0.414 327 I N 1.071 121.387 120.570 -0.423 0.000 2.208 327 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 327 I C 2.380 178.351 176.117 -0.244 0.000 1.097 327 I CA 1.324 62.336 61.300 -0.481 0.000 1.363 327 I CB -0.372 37.219 38.000 -0.681 0.000 1.051 327 I HN 0.173 nan 8.210 nan 0.000 0.413 328 A N 0.109 122.818 122.820 -0.185 0.000 2.261 328 A HA 0.294 4.614 4.320 -0.000 0.000 0.208 328 A C 1.738 179.282 177.584 -0.068 0.000 1.223 328 A CA 0.923 52.897 52.037 -0.104 0.000 0.833 328 A CB -0.811 18.135 19.000 -0.091 0.000 0.830 328 A HN 0.646 nan 8.150 nan 0.000 0.483 329 G N -0.837 107.925 108.800 -0.064 0.000 2.313 329 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.215 329 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.215 329 G C 0.367 175.255 174.900 -0.021 0.000 1.023 329 G CA 0.086 45.169 45.100 -0.028 0.000 0.626 329 G HN 0.532 nan 8.290 nan 0.000 0.503 330 K N 1.521 121.901 120.400 -0.032 0.000 2.382 330 K HA 0.580 4.900 4.320 -0.000 0.000 0.275 330 K C 0.524 177.120 176.600 -0.007 0.000 1.009 330 K CA 0.400 56.676 56.287 -0.017 0.000 0.970 330 K CB 1.137 33.623 32.500 -0.023 0.000 0.934 330 K HN 0.598 nan 8.250 nan 0.000 0.479 331 A N 4.217 127.043 122.820 0.009 0.000 2.309 331 A HA 0.374 4.694 4.320 -0.000 0.000 0.290 331 A C -0.242 177.359 177.584 0.028 0.000 1.206 331 A CA -0.446 51.606 52.037 0.024 0.000 0.850 331 A CB 0.369 19.386 19.000 0.028 0.000 1.118 331 A HN 0.601 nan 8.150 nan 0.000 0.523 332 R N 0.632 121.156 120.500 0.040 0.000 2.846 332 R HA 0.726 5.066 4.340 -0.000 0.000 0.263 332 R C -0.902 175.445 176.300 0.079 0.000 1.080 332 R CA -0.879 55.253 56.100 0.053 0.000 0.961 332 R CB 1.945 32.273 30.300 0.046 0.000 1.231 332 R HN 0.896 nan 8.270 nan 0.000 0.465 333 R N 0.569 121.131 120.500 0.103 0.000 3.170 333 R HA 0.112 4.452 4.340 -0.000 0.000 0.257 333 R C -1.756 174.649 176.300 0.175 0.000 1.139 333 R CA -0.478 55.700 56.100 0.131 0.000 1.158 333 R CB 0.600 30.956 30.300 0.093 0.000 1.269 333 R HN 0.490 nan 8.270 nan 0.000 0.459 334 F N 4.993 124.969 119.950 0.044 0.000 2.494 334 F HA 0.256 4.783 4.527 0.000 0.000 0.351 334 F C -0.558 175.266 175.800 0.040 0.000 1.205 334 F CA 0.038 58.062 58.000 0.040 0.000 1.125 334 F CB 0.587 39.613 39.000 0.044 0.000 1.268 334 F HN 0.470 nan 8.300 nan 0.000 0.593 335 E N 6.506 126.614 120.200 -0.154 0.000 3.132 335 E HA 0.312 4.661 4.350 -0.000 0.000 0.241 335 E C -2.659 173.783 176.600 -0.264 0.000 1.196 335 E CA -1.788 54.490 56.400 -0.203 0.000 0.869 335 E CB -0.192 29.472 29.700 -0.060 0.000 1.387 335 E HN 0.297 nan 8.360 nan 0.000 0.393 336 P HA 0.071 nan 4.420 nan 0.000 0.271 336 P C 0.204 177.411 177.300 -0.155 0.000 1.233 336 P CA -0.335 62.584 63.100 -0.301 0.000 0.789 336 P CB 1.232 32.698 31.700 -0.391 0.000 0.951 337 A N 0.536 123.313 122.820 -0.071 0.000 2.067 337 A HA 0.436 4.756 4.320 -0.000 0.000 0.217 337 A C 0.984 178.563 177.584 -0.008 0.000 1.156 337 A CA 1.379 53.400 52.037 -0.026 0.000 0.683 337 A CB -0.443 18.563 19.000 0.010 0.000 0.808 337 A HN 0.907 nan 8.150 nan 0.000 0.455 338 A N -1.502 121.316 122.820 -0.004 0.000 2.567 338 A HA 0.608 4.928 4.320 -0.000 0.000 0.291 338 A C -1.529 176.089 177.584 0.057 0.000 1.048 338 A CA -0.503 51.554 52.037 0.034 0.000 0.661 338 A CB 0.281 19.326 19.000 0.075 0.000 1.288 338 A HN 0.272 nan 8.150 nan 0.000 0.424 339 I N 1.592 122.220 120.570 0.097 0.000 2.448 339 I HA 0.514 4.684 4.170 -0.000 0.000 0.281 339 I C 0.729 176.954 176.117 0.181 0.000 1.027 339 I CA -0.538 60.861 61.300 0.165 0.000 1.111 339 I CB 1.688 39.793 38.000 0.175 0.000 1.236 339 I HN 0.897 nan 8.210 nan 0.000 0.452 340 A N 5.097 128.023 122.820 0.177 0.000 2.540 340 A HA 0.583 4.903 4.320 -0.000 0.000 0.239 340 A C 0.281 177.976 177.584 0.184 0.000 1.061 340 A CA 0.079 52.196 52.037 0.133 0.000 0.758 340 A CB 0.158 19.175 19.000 0.029 0.000 0.991 340 A HN 0.817 nan 8.150 nan 0.000 0.502 341 A N 2.516 125.413 122.820 0.129 0.000 2.343 341 A HA 0.663 4.983 4.320 -0.000 0.000 0.316 341 A C -0.646 176.944 177.584 0.009 0.000 1.104 341 A CA -0.458 51.648 52.037 0.115 0.000 0.768 341 A CB 1.286 20.373 19.000 0.145 0.000 1.213 341 A HN 1.145 nan 8.150 nan 0.000 0.456 342 V N 1.125 121.012 119.914 -0.046 0.000 2.735 342 V HA 0.434 4.554 4.120 -0.000 0.000 0.310 342 V C -0.634 175.330 176.094 -0.218 0.000 1.061 342 V CA -0.549 61.647 62.300 -0.173 0.000 0.913 342 V CB 1.772 33.470 31.823 -0.209 0.000 1.005 342 V HN 1.028 nan 8.190 nan 0.000 0.428 343 C N 4.141 123.289 119.300 -0.254 0.000 2.319 343 C HA 0.516 4.976 4.460 -0.000 0.000 0.323 343 C C 0.233 175.100 174.990 -0.206 0.000 1.277 343 C CA -0.796 58.162 59.018 -0.100 0.000 1.517 343 C CB 0.168 27.936 27.740 0.047 0.000 2.206 343 C HN 0.767 nan 8.230 nan 0.000 0.486 344 F N 2.424 122.400 119.950 0.045 0.000 2.783 344 F HA 0.157 4.684 4.527 -0.000 0.000 0.338 344 F C 1.665 177.504 175.800 0.066 0.000 1.178 344 F CA -0.086 57.945 58.000 0.052 0.000 1.343 344 F CB -0.545 38.493 39.000 0.063 0.000 1.496 344 F HN 0.649 nan 8.300 nan 0.000 0.583 345 T N -3.433 111.184 114.554 0.105 0.000 2.788 345 T HA 0.166 4.516 4.350 -0.000 0.000 0.280 345 T C -0.290 174.444 174.700 0.056 0.000 0.984 345 T CA -0.874 61.281 62.100 0.093 0.000 0.972 345 T CB 1.556 70.469 68.868 0.076 0.000 1.039 345 T HN 0.074 nan 8.240 nan 0.000 0.530 346 D N 2.223 122.651 120.400 0.046 0.000 2.454 346 D HA 0.374 5.013 4.640 -0.000 0.000 0.225 346 D C -2.140 174.173 176.300 0.021 0.000 1.081 346 D CA -2.202 51.816 54.000 0.029 0.000 0.864 346 D CB 0.785 41.599 40.800 0.023 0.000 1.040 346 D HN 0.255 nan 8.370 nan 0.000 0.517 347 P HA 0.246 nan 4.420 nan 0.000 0.282 347 P C -0.577 176.705 177.300 -0.030 0.000 1.287 347 P CA -0.508 62.590 63.100 -0.004 0.000 0.792 347 P CB 1.319 33.021 31.700 0.003 0.000 1.163 348 E N -0.636 119.522 120.200 -0.070 0.000 2.277 348 E HA 0.434 4.784 4.350 -0.000 0.000 0.274 348 E C -0.649 175.863 176.600 -0.147 0.000 1.022 348 E CA -0.918 55.396 56.400 -0.143 0.000 0.853 348 E CB 1.318 30.883 29.700 -0.226 0.000 1.086 348 E HN 0.116 nan 8.360 nan 0.000 0.397 349 V N 2.346 122.152 119.914 -0.180 0.000 2.715 349 V HA 0.494 4.614 4.120 -0.000 0.000 0.310 349 V C -0.495 175.471 176.094 -0.213 0.000 1.054 349 V CA -0.791 61.388 62.300 -0.201 0.000 0.928 349 V CB 2.062 33.749 31.823 -0.227 0.000 1.007 349 V HN 0.396 nan 8.190 nan 0.000 0.437 350 V N 3.463 123.273 119.914 -0.173 0.000 2.777 350 V HA 0.584 4.704 4.120 -0.000 0.000 0.306 350 V C -0.992 175.055 176.094 -0.078 0.000 1.112 350 V CA -0.472 61.782 62.300 -0.078 0.000 0.917 350 V CB 2.242 34.115 31.823 0.083 0.000 1.018 350 V HN 0.611 nan 8.190 nan 0.000 0.426 351 V N 4.916 124.796 119.914 -0.057 0.000 2.623 351 V HA 0.676 4.796 4.120 -0.000 0.000 0.304 351 V C -0.838 175.294 176.094 0.064 0.000 1.054 351 V CA -0.616 61.656 62.300 -0.048 0.000 0.882 351 V CB 2.226 33.995 31.823 -0.089 0.000 1.002 351 V HN 0.587 nan 8.190 nan 0.000 0.424 352 V N 3.727 123.692 119.914 0.085 0.000 2.524 352 V HA 0.940 5.060 4.120 -0.000 0.000 0.297 352 V C 0.481 176.641 176.094 0.111 0.000 1.035 352 V CA 0.454 62.839 62.300 0.142 0.000 0.867 352 V CB 1.018 32.993 31.823 0.254 0.000 1.004 352 V HN 1.477 nan 8.190 nan 0.000 0.426 353 G N 4.930 113.785 108.800 0.093 0.000 2.627 353 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.214 353 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.214 353 G C -0.470 174.450 174.900 0.033 0.000 1.331 353 G CA -0.637 44.499 45.100 0.059 0.000 0.891 353 G HN 0.720 nan 8.290 nan 0.000 0.539 354 K N 1.253 121.654 120.400 0.002 0.000 2.401 354 K HA 0.464 4.784 4.320 -0.000 0.000 0.278 354 K C 1.245 177.835 176.600 -0.016 0.000 1.018 354 K CA 0.615 56.900 56.287 -0.004 0.000 0.981 354 K CB 0.481 32.968 32.500 -0.021 0.000 0.933 354 K HN 0.838 nan 8.250 nan 0.000 0.477 355 T N 0.521 115.085 114.554 0.015 0.000 2.816 355 T HA 0.165 4.515 4.350 -0.000 0.000 0.282 355 T C -1.849 172.848 174.700 -0.005 0.000 0.993 355 T CA -1.785 60.325 62.100 0.016 0.000 0.994 355 T CB 0.940 69.849 68.868 0.068 0.000 1.025 355 T HN 0.250 nan 8.240 nan 0.000 0.529 356 P HA -0.123 nan 4.420 nan 0.000 0.214 356 P C 1.413 178.708 177.300 -0.008 0.000 1.163 356 P CA 1.347 64.434 63.100 -0.021 0.000 0.889 356 P CB -0.039 31.648 31.700 -0.021 0.000 0.790 357 E N 0.070 120.276 120.200 0.010 0.000 2.082 357 E HA -0.303 4.047 4.350 -0.000 0.000 0.215 357 E C 2.190 178.796 176.600 0.010 0.000 1.048 357 E CA 1.598 58.007 56.400 0.015 0.000 0.869 357 E CB -0.941 28.778 29.700 0.031 0.000 0.773 357 E HN 0.401 nan 8.360 nan 0.000 0.466 358 Q N 0.174 119.983 119.800 0.016 0.000 2.096 358 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 358 Q C 2.307 178.307 176.000 -0.000 0.000 0.982 358 Q CA 1.360 57.170 55.803 0.012 0.000 0.850 358 Q CB -0.241 28.509 28.738 0.021 0.000 0.901 358 Q HN 0.357 nan 8.270 nan 0.000 0.422 359 A N 0.232 123.046 122.820 -0.010 0.000 1.969 359 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 359 A C 2.218 179.790 177.584 -0.018 0.000 1.169 359 A CA 1.513 53.537 52.037 -0.021 0.000 0.635 359 A CB -0.318 18.660 19.000 -0.036 0.000 0.810 359 A HN 0.216 nan 8.150 nan 0.000 0.445 360 S N -0.411 115.280 115.700 -0.015 0.000 2.371 360 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 360 S C 2.165 176.760 174.600 -0.009 0.000 1.029 360 S CA 1.160 59.352 58.200 -0.014 0.000 0.978 360 S CB -0.251 62.942 63.200 -0.012 0.000 0.833 360 S HN 0.595 nan 8.310 nan 0.000 0.466 361 Q N 1.388 121.186 119.800 -0.004 0.000 2.061 361 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 361 Q C 1.810 177.808 176.000 -0.003 0.000 0.984 361 Q CA 1.462 57.264 55.803 -0.001 0.000 0.846 361 Q CB -0.647 28.093 28.738 0.003 0.000 0.902 361 Q HN 0.589 nan 8.270 nan 0.000 0.421 362 Q N -0.586 119.212 119.800 -0.004 0.000 2.482 362 Q HA 0.187 4.527 4.340 -0.000 0.000 0.209 362 Q C 0.382 176.377 176.000 -0.008 0.000 0.961 362 Q CA 0.567 56.367 55.803 -0.004 0.000 0.945 362 Q CB 0.146 28.881 28.738 -0.004 0.000 1.012 362 Q HN 0.543 nan 8.270 nan 0.000 0.515 363 G N 0.658 109.451 108.800 -0.011 0.000 2.289 363 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.280 363 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.280 363 G C -0.583 174.306 174.900 -0.018 0.000 1.089 363 G CA -0.233 44.858 45.100 -0.013 0.000 0.939 363 G HN 0.208 nan 8.290 nan 0.000 0.499 364 L N 0.508 121.717 121.223 -0.023 0.000 2.334 364 L HA 0.645 4.985 4.340 -0.000 0.000 0.273 364 L C -0.124 176.725 176.870 -0.036 0.000 1.013 364 L CA -1.193 53.629 54.840 -0.030 0.000 0.816 364 L CB 1.717 43.757 42.059 -0.033 0.000 1.278 364 L HN 0.353 nan 8.230 nan 0.000 0.431 365 D N 0.654 121.029 120.400 -0.042 0.000 2.233 365 D HA 0.363 5.003 4.640 -0.000 0.000 0.240 365 D C -0.999 175.264 176.300 -0.061 0.000 1.074 365 D CA -0.347 53.625 54.000 -0.047 0.000 0.838 365 D CB 1.517 42.289 40.800 -0.046 0.000 1.124 365 D HN 0.267 nan 8.370 nan 0.000 0.475 366 C N 2.727 121.991 119.300 -0.059 0.000 2.561 366 C HA 0.558 5.018 4.460 -0.000 0.000 0.319 366 C C 0.385 175.333 174.990 -0.069 0.000 1.198 366 C CA -0.853 58.124 59.018 -0.070 0.000 1.665 366 C CB 0.863 28.562 27.740 -0.068 0.000 2.258 366 C HN 0.581 nan 8.230 nan 0.000 0.493 367 I N 2.491 123.016 120.570 -0.076 0.000 2.331 367 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 367 I C -0.514 175.553 176.117 -0.083 0.000 0.998 367 I CA -0.186 61.076 61.300 -0.063 0.000 1.267 367 I CB 0.916 38.893 38.000 -0.038 0.000 1.386 367 I HN 0.223 nan 8.210 nan 0.000 0.476 368 V N 5.857 125.723 119.914 -0.081 0.000 2.407 368 V HA 0.731 4.851 4.120 -0.000 0.000 0.291 368 V C 0.038 176.078 176.094 -0.091 0.000 1.018 368 V CA -0.345 61.895 62.300 -0.099 0.000 0.842 368 V CB 1.518 33.288 31.823 -0.088 0.000 0.996 368 V HN 0.881 nan 8.190 nan 0.000 0.426 369 A N 4.620 127.382 122.820 -0.097 0.000 2.413 369 A HA 0.926 5.246 4.320 -0.000 0.000 0.307 369 A C -0.865 176.690 177.584 -0.048 0.000 1.087 369 A CA -0.647 51.351 52.037 -0.066 0.000 0.750 369 A CB 2.101 21.077 19.000 -0.041 0.000 1.296 369 A HN 0.760 nan 8.150 nan 0.000 0.423 370 Q N 0.557 120.334 119.800 -0.038 0.000 2.389 370 Q HA 0.696 5.036 4.340 -0.000 0.000 0.277 370 Q C -2.364 173.676 176.000 0.066 0.000 1.082 370 Q CA -0.547 55.246 55.803 -0.016 0.000 0.810 370 Q CB 1.971 30.567 28.738 -0.237 0.000 1.374 370 Q HN 0.748 nan 8.270 nan 0.000 0.422 371 F N 4.974 124.917 119.950 -0.011 0.000 2.536 371 F HA 0.605 5.132 4.527 -0.000 0.000 0.322 371 F C -2.639 173.092 175.800 -0.116 0.000 1.144 371 F CA -2.072 55.905 58.000 -0.038 0.000 0.924 371 F CB 1.976 40.973 39.000 -0.006 0.000 1.181 371 F HN 0.397 nan 8.300 nan 0.000 0.438 372 P HA 0.181 nan 4.420 nan 0.000 0.279 372 P C 0.033 177.203 177.300 -0.216 0.000 1.252 372 P CA -0.174 62.742 63.100 -0.307 0.000 0.811 372 P CB 1.162 32.721 31.700 -0.234 0.000 1.035 373 F N 0.327 120.355 119.950 0.129 0.000 2.780 373 F HA 0.137 4.664 4.527 -0.000 0.000 0.299 373 F C 2.385 178.239 175.800 0.089 0.000 1.146 373 F CA 0.459 58.545 58.000 0.143 0.000 1.428 373 F CB -1.349 37.715 39.000 0.106 0.000 1.115 373 F HN 0.324 nan 8.300 nan 0.000 0.583 374 A N -0.184 122.732 122.820 0.159 0.000 2.119 374 A HA 0.245 4.565 4.320 -0.000 0.000 0.217 374 A C 2.081 179.721 177.584 0.093 0.000 1.153 374 A CA 1.112 53.212 52.037 0.106 0.000 0.692 374 A CB -0.709 18.320 19.000 0.048 0.000 0.799 374 A HN 0.164 nan 8.150 nan 0.000 0.458 375 A N -0.451 122.414 122.820 0.075 0.000 2.462 375 A HA 0.384 4.704 4.320 -0.000 0.000 0.261 375 A C 0.283 178.073 177.584 0.344 0.000 1.323 375 A CA -0.058 52.057 52.037 0.130 0.000 0.913 375 A CB -0.715 18.233 19.000 -0.087 0.000 1.028 375 A HN 0.488 nan 8.150 nan 0.000 0.511 376 N N -1.360 117.531 118.700 0.320 0.000 2.410 376 N HA 0.465 5.205 4.740 -0.000 0.000 0.287 376 N C 1.155 176.770 175.510 0.175 0.000 1.044 376 N CA 0.220 53.461 53.050 0.319 0.000 0.881 376 N CB 1.442 40.218 38.487 0.481 0.000 1.405 376 N HN -0.059 nan 8.380 nan 0.000 0.490 377 G N 2.220 111.088 108.800 0.113 0.000 2.404 377 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.215 377 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.215 377 G C 1.486 176.387 174.900 0.002 0.000 1.174 377 G CA 0.614 45.754 45.100 0.067 0.000 0.780 377 G HN 0.547 nan 8.290 nan 0.000 0.537 378 R N 1.332 121.796 120.500 -0.061 0.000 2.113 378 R HA -0.026 4.314 4.340 -0.000 0.000 0.231 378 R C 2.862 179.117 176.300 -0.074 0.000 1.129 378 R CA 2.197 58.240 56.100 -0.094 0.000 0.915 378 R CB -1.312 28.906 30.300 -0.136 0.000 0.837 378 R HN 0.254 nan 8.270 nan 0.000 0.430 379 A N 0.441 123.210 122.820 -0.084 0.000 1.944 379 A HA -0.336 3.984 4.320 -0.000 0.000 0.222 379 A C 2.386 179.961 177.584 -0.015 0.000 1.237 379 A CA 2.756 54.742 52.037 -0.084 0.000 0.668 379 A CB -0.792 18.211 19.000 0.005 0.000 0.830 379 A HN 0.537 nan 8.150 nan 0.000 0.471 380 M N 0.116 119.732 119.600 0.026 0.000 2.175 380 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 380 M C 2.411 178.718 176.300 0.013 0.000 1.063 380 M CA 1.682 57.001 55.300 0.032 0.000 1.119 380 M CB -0.490 32.141 32.600 0.050 0.000 1.377 380 M HN 0.669 nan 8.290 nan 0.000 0.415 381 S N 0.579 116.278 115.700 -0.002 0.000 2.400 381 S HA -0.108 4.362 4.470 -0.000 0.000 0.232 381 S C 1.552 176.145 174.600 -0.011 0.000 1.025 381 S CA 0.908 59.104 58.200 -0.007 0.000 0.993 381 S CB -0.458 62.730 63.200 -0.020 0.000 0.808 381 S HN 0.320 nan 8.310 nan 0.000 0.478 382 L N 1.523 122.731 121.223 -0.025 0.000 2.629 382 L HA 0.349 4.689 4.340 -0.000 0.000 0.230 382 L C 0.676 177.536 176.870 -0.017 0.000 1.151 382 L CA 0.288 55.109 54.840 -0.030 0.000 0.924 382 L CB -1.572 40.448 42.059 -0.065 0.000 1.137 382 L HN 0.324 nan 8.230 nan 0.000 0.457 383 E N -1.328 118.872 120.200 -0.000 0.000 2.722 383 E HA -0.372 3.978 4.350 -0.000 0.000 0.265 383 E C 1.229 177.835 176.600 0.010 0.000 1.081 383 E CA 0.476 56.882 56.400 0.010 0.000 0.781 383 E CB -1.320 28.387 29.700 0.011 0.000 1.372 383 E HN 0.408 nan 8.360 nan 0.000 0.423 384 S N -0.391 115.310 115.700 0.003 0.000 4.024 384 S HA -0.389 4.080 4.470 -0.000 0.000 0.420 384 S C 0.046 174.652 174.600 0.011 0.000 1.771 384 S CA 2.595 60.803 58.200 0.013 0.000 4.062 384 S CB -0.538 62.696 63.200 0.057 0.000 0.800 384 S HN 0.528 nan 8.310 nan 0.000 0.459 385 K N 1.851 122.273 120.400 0.036 0.000 5.230 385 K HA -0.091 4.229 4.320 -0.000 0.000 0.331 385 K C -0.172 176.490 176.600 0.104 0.000 0.863 385 K CA 0.940 57.258 56.287 0.051 0.000 1.030 385 K CB -1.591 30.924 32.500 0.026 0.000 1.845 385 K HN 0.495 nan 8.250 nan 0.000 0.404 386 S N 0.809 116.587 115.700 0.131 0.000 2.562 386 S HA 0.609 5.079 4.470 -0.000 0.000 0.281 386 S C 1.103 175.821 174.600 0.197 0.000 1.333 386 S CA -0.010 58.310 58.200 0.200 0.000 1.052 386 S CB 1.577 64.863 63.200 0.143 0.000 0.884 386 S HN 0.776 nan 8.310 nan 0.000 0.506 387 G N 0.850 109.808 108.800 0.262 0.000 2.635 387 G HA2 0.697 4.657 3.960 -0.000 0.000 0.194 387 G HA3 0.697 4.657 3.960 -0.000 0.000 0.194 387 G C -1.405 173.547 174.900 0.088 0.000 1.198 387 G CA -0.498 44.699 45.100 0.161 0.000 0.972 387 G HN 0.795 nan 8.290 nan 0.000 0.520 388 F N -2.400 117.424 119.950 -0.210 0.000 3.122 388 F HA 0.813 5.340 4.527 -0.000 0.000 0.325 388 F C -1.389 174.204 175.800 -0.346 0.000 1.162 388 F CA -1.378 56.349 58.000 -0.455 0.000 0.876 388 F CB 1.177 40.048 39.000 -0.215 0.000 1.429 388 F HN 0.510 nan 8.300 nan 0.000 0.484 389 V N 1.243 121.190 119.914 0.055 0.000 2.735 389 V HA 0.714 4.833 4.120 -0.000 0.000 0.310 389 V C -0.822 175.500 176.094 0.381 0.000 1.061 389 V CA -0.779 61.637 62.300 0.193 0.000 0.913 389 V CB 1.953 33.934 31.823 0.264 0.000 1.005 389 V HN 0.893 nan 8.190 nan 0.000 0.428 390 R N 1.939 122.621 120.500 0.304 0.000 2.686 390 R HA 0.852 5.192 4.340 -0.000 0.000 0.283 390 R C -2.110 174.144 176.300 -0.075 0.000 0.978 390 R CA -0.395 55.809 56.100 0.174 0.000 0.897 390 R CB 2.395 32.866 30.300 0.286 0.000 1.192 390 R HN 0.562 nan 8.270 nan 0.000 0.457 391 V N 4.095 123.847 119.914 -0.270 0.000 2.914 391 V HA 0.688 4.808 4.120 -0.000 0.000 0.314 391 V C -1.472 174.363 176.094 -0.431 0.000 1.084 391 V CA -0.510 61.379 62.300 -0.686 0.000 0.963 391 V CB 2.355 33.698 31.823 -0.800 0.000 1.025 391 V HN 0.544 nan 8.190 nan 0.000 0.432 392 V N 5.207 124.839 119.914 -0.470 0.000 2.524 392 V HA 0.934 5.053 4.120 -0.000 0.000 0.297 392 V C -0.033 175.911 176.094 -0.250 0.000 1.035 392 V CA 0.165 62.299 62.300 -0.276 0.000 0.867 392 V CB 1.145 32.839 31.823 -0.215 0.000 1.004 392 V HN 1.289 nan 8.190 nan 0.000 0.426 393 A N 4.792 127.513 122.820 -0.166 0.000 2.556 393 A HA 0.824 5.144 4.320 -0.000 0.000 0.294 393 A C -0.533 176.996 177.584 -0.092 0.000 1.091 393 A CA -0.983 50.984 52.037 -0.116 0.000 0.704 393 A CB 1.623 20.581 19.000 -0.070 0.000 1.300 393 A HN 0.732 nan 8.150 nan 0.000 0.406 394 R N 1.114 121.565 120.500 -0.082 0.000 2.370 394 R HA 0.156 4.496 4.340 -0.000 0.000 0.309 394 R C 0.956 177.156 176.300 -0.167 0.000 1.059 394 R CA -0.380 55.662 56.100 -0.097 0.000 0.981 394 R CB 0.630 30.885 30.300 -0.075 0.000 0.972 394 R HN 0.749 nan 8.270 nan 0.000 0.437 395 R N 2.134 122.538 120.500 -0.160 0.000 2.303 395 R HA -0.157 4.183 4.340 -0.000 0.000 0.225 395 R C 0.882 177.018 176.300 -0.273 0.000 1.114 395 R CA 1.789 57.761 56.100 -0.214 0.000 1.007 395 R CB 0.139 30.363 30.300 -0.126 0.000 0.861 395 R HN 0.711 nan 8.270 nan 0.000 0.471 396 D N -1.076 119.200 120.400 -0.208 0.000 2.388 396 D HA -0.076 4.564 4.640 -0.000 0.000 0.208 396 D C 0.555 176.759 176.300 -0.161 0.000 1.035 396 D CA 0.428 54.330 54.000 -0.164 0.000 0.875 396 D CB -0.070 40.677 40.800 -0.088 0.000 0.984 396 D HN 0.295 nan 8.370 nan 0.000 0.508 397 N N -0.882 117.725 118.700 -0.156 0.000 2.081 397 N HA -0.059 4.680 4.740 -0.000 0.000 0.230 397 N C -0.039 175.510 175.510 0.064 0.000 1.351 397 N CA -0.257 52.773 53.050 -0.033 0.000 0.840 397 N CB -0.788 37.698 38.487 -0.001 0.000 1.189 397 N HN 0.059 nan 8.380 nan 0.000 0.503 398 H N -0.086 118.973 119.070 -0.018 0.000 2.971 398 H HA -0.167 4.389 4.556 -0.000 0.000 0.281 398 H C -0.281 175.031 175.328 -0.026 0.000 1.131 398 H CA 0.722 56.754 56.048 -0.027 0.000 1.166 398 H CB -1.446 28.305 29.762 -0.018 0.000 1.311 398 H HN 0.373 nan 8.280 nan 0.000 0.349 399 L N 1.712 122.969 121.223 0.057 0.000 2.562 399 L HA 0.057 4.397 4.340 -0.000 0.000 0.271 399 L C 0.939 177.809 176.870 0.001 0.000 1.167 399 L CA 0.289 55.150 54.840 0.034 0.000 0.917 399 L CB 0.136 42.205 42.059 0.017 0.000 1.187 399 L HN 0.117 nan 8.230 nan 0.000 0.482 400 I N 6.171 126.743 120.570 0.003 0.000 2.556 400 I HA -0.075 4.094 4.170 -0.000 0.000 0.284 400 I C 0.903 176.981 176.117 -0.066 0.000 1.114 400 I CA 0.114 61.371 61.300 -0.071 0.000 1.418 400 I CB 0.963 38.940 38.000 -0.037 0.000 1.394 400 I HN 0.723 nan 8.210 nan 0.000 0.552 401 L N 5.724 126.871 121.223 -0.126 0.000 2.575 401 L HA 0.431 4.771 4.340 -0.000 0.000 0.228 401 L C 0.921 177.731 176.870 -0.101 0.000 1.075 401 L CA -0.016 54.775 54.840 -0.082 0.000 0.867 401 L CB 0.063 42.076 42.059 -0.076 0.000 1.097 401 L HN 0.781 nan 8.230 nan 0.000 0.485 402 G N -1.614 107.048 108.800 -0.230 0.000 2.506 402 G HA2 0.422 4.382 3.960 -0.000 0.000 0.292 402 G HA3 0.422 4.382 3.960 -0.000 0.000 0.292 402 G C -2.643 171.961 174.900 -0.492 0.000 1.425 402 G CA -0.523 44.456 45.100 -0.200 0.000 0.788 402 G HN -0.066 nan 8.290 nan 0.000 0.490 403 W N -0.467 120.680 121.300 -0.255 0.000 3.425 403 W HA 0.649 5.309 4.660 -0.000 0.000 0.318 403 W C -0.696 175.512 176.519 -0.518 0.000 1.201 403 W CA -0.469 56.550 57.345 -0.545 0.000 1.212 403 W CB 2.797 31.588 29.460 -1.114 0.000 1.355 403 W HN 0.623 nan 8.180 nan 0.000 0.515 404 Q N 1.837 121.527 119.800 -0.183 0.000 2.416 404 Q HA 0.898 5.238 4.340 -0.000 0.000 0.281 404 Q C -1.060 174.880 176.000 -0.100 0.000 1.067 404 Q CA -0.902 54.820 55.803 -0.135 0.000 0.809 404 Q CB 2.628 31.317 28.738 -0.082 0.000 1.418 404 Q HN 0.462 nan 8.270 nan 0.000 0.411 405 A N 0.611 123.374 122.820 -0.095 0.000 2.594 405 A HA 0.876 5.196 4.320 -0.000 0.000 0.295 405 A C -1.545 175.907 177.584 -0.220 0.000 1.071 405 A CA -0.634 51.350 52.037 -0.088 0.000 0.685 405 A CB 1.488 20.642 19.000 0.256 0.000 1.285 405 A HN 0.403 nan 8.150 nan 0.000 0.405 406 V N 0.358 120.083 119.914 -0.314 0.000 2.686 406 V HA 0.946 5.066 4.120 -0.000 0.000 0.306 406 V C 0.390 176.491 176.094 0.012 0.000 1.065 406 V CA 0.258 62.414 62.300 -0.241 0.000 0.894 406 V CB 1.273 32.862 31.823 -0.391 0.000 1.004 406 V HN 2.240 nan 8.190 nan 0.000 0.424 407 G N 1.752 110.581 108.800 0.048 0.000 2.336 407 G HA2 0.373 4.333 3.960 -0.000 0.000 0.300 407 G HA3 0.373 4.333 3.960 -0.000 0.000 0.300 407 G C -1.320 173.562 174.900 -0.031 0.000 1.375 407 G CA -0.413 44.748 45.100 0.102 0.000 0.885 407 G HN 0.676 nan 8.290 nan 0.000 0.599 408 V N 1.034 120.903 119.914 -0.074 0.000 2.901 408 V HA 0.332 4.452 4.120 -0.000 0.000 0.307 408 V C 1.880 177.889 176.094 -0.142 0.000 1.084 408 V CA 1.902 64.146 62.300 -0.093 0.000 1.184 408 V CB 1.045 32.814 31.823 -0.090 0.000 0.941 408 V HN 2.756 nan 8.190 nan 0.000 0.493 409 A N 4.088 126.852 122.820 -0.093 0.000 2.723 409 A HA -0.184 4.136 4.320 -0.000 0.000 0.305 409 A C 1.387 178.894 177.584 -0.129 0.000 1.513 409 A CA 1.230 53.211 52.037 -0.094 0.000 0.925 409 A CB -1.699 17.244 19.000 -0.096 0.000 0.956 409 A HN 1.187 nan 8.150 nan 0.000 0.508 410 V N 0.201 120.036 119.914 -0.132 0.000 3.129 410 V HA -0.163 3.957 4.120 -0.000 0.000 0.259 410 V C 2.468 178.476 176.094 -0.143 0.000 1.116 410 V CA 2.254 64.484 62.300 -0.117 0.000 1.127 410 V CB -0.310 31.486 31.823 -0.046 0.000 0.742 410 V HN 1.129 nan 8.190 nan 0.000 0.474 411 S N 0.146 115.745 115.700 -0.170 0.000 2.387 411 S HA -0.232 4.238 4.470 -0.000 0.000 0.230 411 S C 1.597 176.107 174.600 -0.151 0.000 1.035 411 S CA 1.435 59.511 58.200 -0.206 0.000 1.014 411 S CB -0.388 62.687 63.200 -0.208 0.000 0.836 411 S HN 0.635 nan 8.310 nan 0.000 0.466 412 E N 1.294 121.416 120.200 -0.130 0.000 2.511 412 E HA 0.179 4.529 4.350 -0.000 0.000 0.196 412 E C 1.708 178.149 176.600 -0.264 0.000 1.066 412 E CA 0.155 56.464 56.400 -0.151 0.000 0.871 412 E CB -0.392 29.244 29.700 -0.106 0.000 0.863 412 E HN 0.597 nan 8.360 nan 0.000 0.520 413 L N 0.874 121.875 121.223 -0.371 0.000 2.395 413 L HA -0.087 4.253 4.340 -0.000 0.000 0.218 413 L C 2.250 178.511 176.870 -1.016 0.000 1.130 413 L CA 0.798 55.216 54.840 -0.704 0.000 0.826 413 L CB -0.545 41.036 42.059 -0.796 0.000 0.941 413 L HN 0.090 nan 8.230 nan 0.000 0.451 414 S N -0.916 114.447 115.700 -0.561 0.000 2.387 414 S HA -0.223 4.247 4.470 -0.000 0.000 0.230 414 S C 1.925 176.382 174.600 -0.239 0.000 1.035 414 S CA 1.879 59.902 58.200 -0.296 0.000 1.014 414 S CB -0.960 62.170 63.200 -0.117 0.000 0.836 414 S HN 0.392 nan 8.310 nan 0.000 0.466 415 T N 2.825 117.233 114.554 -0.242 0.000 2.720 415 T HA -0.043 4.306 4.350 -0.000 0.000 0.268 415 T C 2.213 176.802 174.700 -0.184 0.000 1.037 415 T CA 1.543 63.540 62.100 -0.171 0.000 1.144 415 T CB -0.837 67.937 68.868 -0.157 0.000 0.864 415 T HN 0.654 nan 8.240 nan 0.000 0.444 416 A N 1.255 123.890 122.820 -0.309 0.000 1.855 416 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 416 A C 1.981 179.431 177.584 -0.223 0.000 1.191 416 A CA 1.182 53.040 52.037 -0.298 0.000 0.613 416 A CB -0.908 17.834 19.000 -0.429 0.000 0.829 416 A HN 0.376 nan 8.150 nan 0.000 0.442 417 F N 0.419 120.165 119.950 -0.339 0.000 2.069 417 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 417 F C 2.933 178.691 175.800 -0.070 0.000 1.113 417 F CA 0.554 58.331 58.000 -0.372 0.000 1.214 417 F CB -1.447 37.414 39.000 -0.231 0.000 0.978 417 F HN 0.278 nan 8.300 nan 0.000 0.474 418 A N -0.330 122.573 122.820 0.140 0.000 1.883 418 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 418 A C 2.192 179.818 177.584 0.070 0.000 1.186 418 A CA 1.961 54.058 52.037 0.101 0.000 0.624 418 A CB -0.956 18.072 19.000 0.046 0.000 0.822 418 A HN 0.511 nan 8.150 nan 0.000 0.444 419 Q N -0.067 119.749 119.800 0.026 0.000 2.083 419 Q HA -0.122 4.218 4.340 -0.000 0.000 0.198 419 Q C 2.502 178.531 176.000 0.049 0.000 0.969 419 Q CA 1.755 57.570 55.803 0.020 0.000 0.838 419 Q CB -0.259 28.470 28.738 -0.014 0.000 0.900 419 Q HN 0.858 nan 8.270 nan 0.000 0.436 420 S N 1.154 116.895 115.700 0.068 0.000 2.383 420 S HA -0.150 4.320 4.470 -0.000 0.000 0.229 420 S C 1.988 176.686 174.600 0.162 0.000 1.030 420 S CA 0.970 59.246 58.200 0.126 0.000 1.002 420 S CB -0.576 62.741 63.200 0.195 0.000 0.829 420 S HN 0.254 nan 8.310 nan 0.000 0.467 421 L N 0.871 122.208 121.223 0.190 0.000 2.056 421 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 421 L C 2.997 179.921 176.870 0.091 0.000 1.078 421 L CA 1.533 56.468 54.840 0.158 0.000 0.749 421 L CB -0.589 41.577 42.059 0.179 0.000 0.901 421 L HN 0.273 nan 8.230 nan 0.000 0.433 422 E N -0.002 120.240 120.200 0.070 0.000 2.204 422 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 422 E C 2.000 178.622 176.600 0.037 0.000 0.990 422 E CA 1.251 57.675 56.400 0.041 0.000 0.821 422 E CB -0.005 29.713 29.700 0.029 0.000 0.750 422 E HN 0.199 nan 8.360 nan 0.000 0.477 423 M N -1.368 118.261 119.600 0.047 0.000 2.447 423 M HA 0.215 4.695 4.480 -0.000 0.000 0.264 423 M C 0.771 177.099 176.300 0.048 0.000 1.095 423 M CA 0.988 56.313 55.300 0.042 0.000 1.125 423 M CB 0.567 33.193 32.600 0.043 0.000 1.389 423 M HN 0.156 nan 8.290 nan 0.000 0.459 424 G N 0.819 109.656 108.800 0.061 0.000 2.401 424 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.283 424 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.283 424 G C -0.036 174.906 174.900 0.069 0.000 1.117 424 G CA 0.025 45.160 45.100 0.058 0.000 1.051 424 G HN 0.801 nan 8.290 nan 0.000 0.510 425 A N -0.685 122.193 122.820 0.096 0.000 2.322 425 A HA 0.751 5.071 4.320 -0.000 0.000 0.269 425 A C 0.930 178.577 177.584 0.104 0.000 1.094 425 A CA 0.349 52.450 52.037 0.106 0.000 0.807 425 A CB 0.788 19.875 19.000 0.145 0.000 1.047 425 A HN 1.234 nan 8.150 nan 0.000 0.487 426 C N 0.882 120.237 119.300 0.092 0.000 2.349 426 C HA 0.409 4.869 4.460 -0.000 0.000 0.361 426 C C 2.166 177.205 174.990 0.082 0.000 1.189 426 C CA -0.572 58.498 59.018 0.086 0.000 2.155 426 C CB 0.435 28.224 27.740 0.082 0.000 2.336 426 C HN 0.939 nan 8.230 nan 0.000 0.540 427 L N 0.741 121.997 121.223 0.054 0.000 2.064 427 L HA -0.264 4.076 4.340 -0.000 0.000 0.216 427 L C 2.350 179.219 176.870 -0.002 0.000 1.077 427 L CA 1.797 56.649 54.840 0.019 0.000 0.766 427 L CB -0.572 41.453 42.059 -0.056 0.000 0.890 427 L HN 0.782 nan 8.230 nan 0.000 0.435 428 E N -0.028 120.142 120.200 -0.050 0.000 2.085 428 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 428 E C 1.833 178.447 176.600 0.024 0.000 0.994 428 E CA 1.544 57.921 56.400 -0.039 0.000 0.801 428 E CB -0.171 29.501 29.700 -0.046 0.000 0.743 428 E HN 0.472 nan 8.360 nan 0.000 0.453 429 D N -0.513 119.918 120.400 0.052 0.000 2.224 429 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 429 D C 1.865 178.226 176.300 0.102 0.000 0.965 429 D CA 0.553 54.594 54.000 0.069 0.000 0.852 429 D CB -0.003 40.839 40.800 0.070 0.000 0.947 429 D HN 0.057 nan 8.370 nan 0.000 0.494 430 V N 1.145 121.142 119.914 0.139 0.000 2.407 430 V HA -0.100 4.020 4.120 -0.000 0.000 0.245 430 V C 2.474 178.681 176.094 0.189 0.000 1.041 430 V CA 1.557 63.980 62.300 0.206 0.000 1.040 430 V CB -0.569 31.431 31.823 0.296 0.000 0.671 430 V HN 0.158 nan 8.190 nan 0.000 0.455 431 A N 0.536 123.413 122.820 0.095 0.000 1.930 431 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 431 A C 2.056 179.674 177.584 0.056 0.000 1.175 431 A CA 1.585 53.637 52.037 0.025 0.000 0.627 431 A CB -0.876 18.103 19.000 -0.035 0.000 0.815 431 A HN 0.564 nan 8.150 nan 0.000 0.443 432 G N -0.562 108.280 108.800 0.070 0.000 3.424 432 G HA2 0.401 4.361 3.960 -0.000 0.000 0.263 432 G HA3 0.401 4.361 3.960 -0.000 0.000 0.263 432 G C -0.000 174.953 174.900 0.089 0.000 1.310 432 G CA 0.356 45.500 45.100 0.072 0.000 1.089 432 G HN 0.270 nan 8.290 nan 0.000 0.534 433 T N 0.743 115.384 114.554 0.146 0.000 2.841 433 T HA 0.404 4.754 4.350 -0.000 0.000 0.283 433 T C 0.125 174.952 174.700 0.211 0.000 1.000 433 T CA -0.376 61.796 62.100 0.120 0.000 0.977 433 T CB 1.681 70.600 68.868 0.085 0.000 0.979 433 T HN 0.042 nan 8.240 nan 0.000 0.446 434 I N 4.062 124.691 120.570 0.098 0.000 2.452 434 I HA 0.192 4.362 4.170 -0.000 0.000 0.287 434 I C -0.013 176.156 176.117 0.088 0.000 1.079 434 I CA -0.129 61.240 61.300 0.116 0.000 1.387 434 I CB 0.219 38.249 38.000 0.050 0.000 1.404 434 I HN 0.575 nan 8.210 nan 0.000 0.522 435 H N 4.263 123.327 119.070 -0.009 0.000 2.492 435 H HA 0.605 5.161 4.556 -0.000 0.000 0.345 435 H C -0.019 175.302 175.328 -0.012 0.000 1.136 435 H CA -0.648 55.385 56.048 -0.025 0.000 1.202 435 H CB 1.601 31.337 29.762 -0.042 0.000 1.524 435 H HN 0.678 nan 8.280 nan 0.000 0.506 436 A N 1.898 124.760 122.820 0.070 0.000 2.354 436 A HA 0.317 4.637 4.320 -0.000 0.000 0.269 436 A C -0.573 177.027 177.584 0.027 0.000 1.109 436 A CA -0.128 51.934 52.037 0.040 0.000 0.800 436 A CB -0.135 18.861 19.000 -0.007 0.000 1.045 436 A HN 0.861 nan 8.150 nan 0.000 0.489 437 H N 2.106 121.172 119.070 -0.007 0.000 2.472 437 H HA 0.600 5.156 4.556 -0.000 0.000 0.338 437 H C -2.222 173.097 175.328 -0.015 0.000 1.133 437 H CA -1.557 54.481 56.048 -0.017 0.000 1.216 437 H CB 1.292 31.044 29.762 -0.018 0.000 1.497 437 H HN 0.498 nan 8.280 nan 0.000 0.500 438 P HA 0.166 nan 4.420 nan 0.000 0.274 438 P C -1.073 176.024 177.300 -0.339 0.000 1.504 438 P CA -0.565 62.062 63.100 -0.789 0.000 1.011 438 P CB 0.392 31.713 31.700 -0.631 0.000 1.366 439 T N -0.354 114.062 114.554 -0.231 0.000 2.918 439 T HA 0.237 4.587 4.350 -0.000 0.000 0.286 439 T C 1.150 175.786 174.700 -0.105 0.000 1.026 439 T CA -0.872 61.144 62.100 -0.140 0.000 1.031 439 T CB 1.102 69.915 68.868 -0.092 0.000 1.046 439 T HN -0.099 nan 8.240 nan 0.000 0.479 440 L N 2.235 123.390 121.223 -0.113 0.000 2.270 440 L HA 0.071 4.411 4.340 -0.000 0.000 0.217 440 L C 2.504 179.400 176.870 0.043 0.000 1.107 440 L CA 2.024 56.807 54.840 -0.095 0.000 0.772 440 L CB -1.356 40.557 42.059 -0.242 0.000 0.902 440 L HN 1.054 nan 8.230 nan 0.000 0.439 441 G N -2.094 106.708 108.800 0.002 0.000 2.920 441 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.208 441 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.208 441 G C 1.425 176.343 174.900 0.029 0.000 1.159 441 G CA -0.072 45.051 45.100 0.038 0.000 0.784 441 G HN 0.405 nan 8.290 nan 0.000 0.535 442 E N 0.641 120.824 120.200 -0.028 0.000 2.106 442 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 442 E C 2.846 179.280 176.600 -0.277 0.000 0.984 442 E CA 0.679 56.990 56.400 -0.149 0.000 0.806 442 E CB -0.071 29.547 29.700 -0.138 0.000 0.750 442 E HN 0.390 nan 8.360 nan 0.000 0.458 443 A N 0.944 123.681 122.820 -0.138 0.000 1.986 443 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 443 A C 2.420 179.970 177.584 -0.058 0.000 1.171 443 A CA 1.260 53.207 52.037 -0.151 0.000 0.640 443 A CB -0.552 18.629 19.000 0.302 0.000 0.811 443 A HN 0.126 nan 8.150 nan 0.000 0.451 444 V N -0.485 119.430 119.914 0.001 0.000 2.453 444 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 444 V C 2.621 178.689 176.094 -0.043 0.000 1.048 444 V CA 2.054 64.390 62.300 0.060 0.000 1.049 444 V CB -0.689 31.122 31.823 -0.020 0.000 0.672 444 V HN 0.746 nan 8.190 nan 0.000 0.457 445 Q N -0.283 119.286 119.800 -0.384 0.000 2.046 445 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 445 Q C 2.343 178.206 176.000 -0.228 0.000 0.975 445 Q CA 1.404 56.934 55.803 -0.455 0.000 0.836 445 Q CB 0.020 28.245 28.738 -0.856 0.000 0.896 445 Q HN 0.597 nan 8.270 nan 0.000 0.428 446 E N 0.347 120.359 120.200 -0.313 0.000 2.051 446 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 446 E C 1.889 178.460 176.600 -0.049 0.000 0.991 446 E CA 1.099 57.329 56.400 -0.284 0.000 0.799 446 E CB -0.263 28.918 29.700 -0.866 0.000 0.748 446 E HN 0.445 nan 8.360 nan 0.000 0.449 447 A N 1.377 124.226 122.820 0.048 0.000 1.978 447 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 447 A C 2.325 179.964 177.584 0.092 0.000 1.170 447 A CA 1.956 54.096 52.037 0.170 0.000 0.636 447 A CB -0.401 18.753 19.000 0.256 0.000 0.810 447 A HN 0.260 nan 8.150 nan 0.000 0.448 448 A N -1.563 121.312 122.820 0.092 0.000 2.123 448 A HA 0.260 4.580 4.320 -0.000 0.000 0.214 448 A C 1.867 179.417 177.584 -0.058 0.000 1.152 448 A CA 1.050 53.109 52.037 0.037 0.000 0.728 448 A CB -0.237 18.830 19.000 0.111 0.000 0.814 448 A HN 0.382 nan 8.150 nan 0.000 0.464 449 L N -0.546 120.634 121.223 -0.072 0.000 2.162 449 L HA 0.139 4.479 4.340 -0.000 0.000 0.205 449 L C 2.303 179.086 176.870 -0.146 0.000 1.086 449 L CA 1.483 56.221 54.840 -0.170 0.000 0.778 449 L CB -0.889 41.111 42.059 -0.099 0.000 0.928 449 L HN 0.468 nan 8.230 nan 0.000 0.446 450 R N -0.583 119.903 120.500 -0.023 0.000 2.081 450 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 450 R C 2.146 178.436 176.300 -0.015 0.000 1.131 450 R CA 1.359 57.469 56.100 0.017 0.000 0.960 450 R CB -0.126 30.223 30.300 0.081 0.000 0.856 450 R HN 0.338 nan 8.270 nan 0.000 0.436 451 A N 0.660 123.462 122.820 -0.030 0.000 1.972 451 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 451 A C 2.022 179.596 177.584 -0.015 0.000 1.169 451 A CA 1.083 53.106 52.037 -0.024 0.000 0.635 451 A CB -0.373 18.608 19.000 -0.032 0.000 0.810 451 A HN 0.349 nan 8.150 nan 0.000 0.446 452 L N -1.724 119.445 121.223 -0.090 0.000 2.554 452 L HA 0.151 4.491 4.340 -0.000 0.000 0.226 452 L C 1.778 178.628 176.870 -0.033 0.000 1.137 452 L CA 0.643 55.410 54.840 -0.121 0.000 0.863 452 L CB -0.074 41.798 42.059 -0.312 0.000 0.985 452 L HN 0.605 nan 8.230 nan 0.000 0.451 453 G N 0.251 109.045 108.800 -0.010 0.000 2.179 453 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 453 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 453 G C 0.233 175.232 174.900 0.165 0.000 0.990 453 G CA 0.169 45.317 45.100 0.080 0.000 0.646 453 G HN 0.704 nan 8.290 nan 0.000 0.517 454 H N -1.711 117.370 119.070 0.019 0.000 2.514 454 H HA 0.814 5.370 4.556 -0.000 0.000 0.226 454 H C 0.246 175.594 175.328 0.033 0.000 1.421 454 H CA -0.055 56.005 56.048 0.021 0.000 1.394 454 H CB 0.140 29.908 29.762 0.011 0.000 1.701 454 H HN 0.685 nan 8.280 nan 0.000 0.515 455 A N 1.575 124.475 122.820 0.133 0.000 2.322 455 A HA 0.469 4.789 4.320 -0.000 0.000 0.269 455 A C 0.545 178.207 177.584 0.130 0.000 1.094 455 A CA -0.689 51.429 52.037 0.135 0.000 0.807 455 A CB 0.559 19.666 19.000 0.179 0.000 1.047 455 A HN 0.686 nan 8.150 nan 0.000 0.487 456 L N -0.471 120.837 121.223 0.142 0.000 2.575 456 L HA 0.181 4.521 4.340 -0.000 0.000 0.228 456 L C 0.930 177.685 176.870 -0.192 0.000 1.075 456 L CA 0.640 55.479 54.840 -0.002 0.000 0.867 456 L CB 0.005 42.071 42.059 0.012 0.000 1.097 456 L HN 0.863 nan 8.230 nan 0.000 0.485 457 H N -1.515 117.680 119.070 0.209 0.000 2.674 457 H HA 0.445 5.001 4.556 -0.000 0.000 0.274 457 H C -0.479 175.001 175.328 0.253 0.000 1.121 457 H CA -0.239 55.956 56.048 0.244 0.000 1.132 457 H CB 1.101 31.043 29.762 0.299 0.000 1.606 457 H HN 0.025 nan 8.280 nan 0.000 0.558 458 I N 0.000 120.735 120.570 0.276 0.000 2.984 458 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 458 I CA 0.000 61.355 61.300 0.092 0.000 1.566 458 I CB 0.000 37.966 38.000 -0.057 0.000 1.214 458 I HN 0.000 nan 8.210 nan 0.000 0.494