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 3dc1_1_C DATA FIRST_RESID 1 DATA SEQUENCE MNYARFITAA SAARNPSPIR TMTDILSRGP KSMISLAGGL PNPNMFPFKT DATA SEQUENCE AVITVENGKT IQFGEEMMKR ALQYSPSAGI PELLSWLKQL QIKLHNPPTI DATA SEQUENCE HYPPSQGQMD LCVTSGSQQG LCKVFEMIIN PGDNVLLDEP AYSGTLQSLH DATA SEQUENCE PLGCNIINVA SDESGIVPDS LRDILSRWKP EDAKNPQKNT PKFLYTVPNG DATA SEQUENCE NNPTGNSLTS ERKKEIYELA RKYDFLIIED DPYYFLQFNK FRVPTFLSMD DATA SEQUENCE VDGRVIRADS FSXIISSGLR IGFLTGPKPL IERVILHIQV STLHPSTFNQ DATA SEQUENCE LMISQLLHEW GEEGFMAHVD RVIDFYSNQK DAILAAADKW LTGLAEWHVP DATA SEQUENCE AAGMFLWIKV KGINDVKELI EEKAVKMGVL MLPGNAFYVD SSAPSPYLRA DATA SEQUENCE SFSSASPEQM DVAFQVLAQL IKESL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.125 176.300 -0.292 0.000 1.140 1 M CA 0.000 55.101 55.300 -0.332 0.000 0.988 1 M CB 0.000 32.511 32.600 -0.148 0.000 1.302 2 N N 1.569 120.169 118.700 -0.166 0.000 3.188 2 N HA 0.226 4.966 4.740 -0.000 0.000 0.279 2 N C 0.100 175.641 175.510 0.052 0.000 1.213 2 N CA 0.140 53.157 53.050 -0.055 0.000 1.138 2 N CB -0.330 38.132 38.487 -0.042 0.000 1.417 2 N HN 0.278 nan 8.380 nan 0.000 0.526 3 Y N 0.563 120.990 120.300 0.212 0.000 2.556 3 Y HA -0.176 4.374 4.550 -0.000 0.000 0.290 3 Y C 2.130 178.161 175.900 0.218 0.000 1.149 3 Y CA 0.899 59.163 58.100 0.273 0.000 1.329 3 Y CB 0.024 38.575 38.460 0.152 0.000 0.975 3 Y HN 0.556 nan 8.280 nan 0.000 0.561 4 A N 0.100 123.049 122.820 0.215 0.000 2.119 4 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 4 A C 2.183 179.775 177.584 0.014 0.000 1.153 4 A CA 0.733 52.834 52.037 0.107 0.000 0.692 4 A CB -0.361 18.672 19.000 0.055 0.000 0.799 4 A HN 0.402 nan 8.150 nan 0.000 0.458 5 R N -1.093 119.341 120.500 -0.111 0.000 2.062 5 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 5 R C 0.395 176.477 176.300 -0.362 0.000 1.136 5 R CA 1.604 57.453 56.100 -0.419 0.000 0.948 5 R CB -0.344 29.387 30.300 -0.948 0.000 0.845 5 R HN 0.589 nan 8.270 nan 0.000 0.430 6 F N 0.310 120.311 119.950 0.086 0.000 2.701 6 F HA 0.323 4.850 4.527 -0.000 0.000 0.295 6 F C 0.114 175.978 175.800 0.107 0.000 1.165 6 F CA 0.014 58.084 58.000 0.115 0.000 1.399 6 F CB 0.116 39.208 39.000 0.153 0.000 0.996 6 F HN -0.137 nan 8.300 nan 0.000 0.513 7 I N 0.034 120.716 120.570 0.187 0.000 2.439 7 I HA 0.186 4.356 4.170 -0.000 0.000 0.285 7 I C 0.348 176.508 176.117 0.072 0.000 1.021 7 I CA -0.429 60.952 61.300 0.134 0.000 1.091 7 I CB 1.529 39.605 38.000 0.127 0.000 1.242 7 I HN -0.066 nan 8.210 nan 0.000 0.439 8 T N 3.887 118.477 114.554 0.060 0.000 2.724 8 T HA 0.027 4.377 4.350 -0.000 0.000 0.324 8 T C 1.333 176.041 174.700 0.013 0.000 1.071 8 T CA 0.445 62.563 62.100 0.030 0.000 1.061 8 T CB 1.006 69.888 68.868 0.023 0.000 0.990 8 T HN 0.754 nan 8.240 nan 0.000 0.543 9 A N 0.951 123.773 122.820 0.003 0.000 1.872 9 A HA 0.210 4.530 4.320 -0.000 0.000 0.214 9 A C 2.583 180.162 177.584 -0.008 0.000 1.187 9 A CA 1.434 53.470 52.037 -0.002 0.000 0.614 9 A CB -1.280 17.717 19.000 -0.004 0.000 0.826 9 A HN 0.917 nan 8.150 nan 0.000 0.442 10 A N -0.339 122.471 122.820 -0.016 0.000 1.903 10 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 10 A C 2.528 180.084 177.584 -0.046 0.000 1.191 10 A CA 2.601 54.619 52.037 -0.032 0.000 0.638 10 A CB -1.071 17.904 19.000 -0.043 0.000 0.823 10 A HN 0.660 nan 8.150 nan 0.000 0.451 11 S N -0.633 115.040 115.700 -0.044 0.000 2.368 11 S HA 0.033 4.503 4.470 -0.000 0.000 0.224 11 S C 2.168 176.759 174.600 -0.016 0.000 1.029 11 S CA 1.438 59.609 58.200 -0.048 0.000 0.988 11 S CB -0.533 62.649 63.200 -0.030 0.000 0.838 11 S HN 0.925 nan 8.310 nan 0.000 0.462 12 A N 1.120 123.941 122.820 0.001 0.000 1.978 12 A HA 0.169 4.489 4.320 -0.000 0.000 0.220 12 A C 2.243 179.828 177.584 0.003 0.000 1.170 12 A CA 1.747 53.790 52.037 0.011 0.000 0.636 12 A CB -1.110 17.900 19.000 0.016 0.000 0.810 12 A HN 0.834 nan 8.150 nan 0.000 0.448 13 A N -0.439 122.377 122.820 -0.006 0.000 2.238 13 A HA 0.125 4.445 4.320 -0.000 0.000 0.208 13 A C 0.975 178.553 177.584 -0.009 0.000 1.177 13 A CA -0.372 51.661 52.037 -0.007 0.000 0.804 13 A CB -0.190 18.805 19.000 -0.010 0.000 0.823 13 A HN 0.435 nan 8.150 nan 0.000 0.482 14 R N 1.660 122.153 120.500 -0.012 0.000 2.489 14 R HA 0.164 4.504 4.340 -0.000 0.000 0.287 14 R C -1.018 175.283 176.300 0.003 0.000 1.053 14 R CA 0.074 56.170 56.100 -0.006 0.000 1.036 14 R CB 0.084 30.381 30.300 -0.006 0.000 0.966 14 R HN 0.306 nan 8.270 nan 0.000 0.432 15 N N 3.160 121.863 118.700 0.006 0.000 2.314 15 N HA 0.320 5.060 4.740 -0.000 0.000 0.304 15 N C -2.546 172.970 175.510 0.011 0.000 1.073 15 N CA -1.868 51.187 53.050 0.008 0.000 0.822 15 N CB 1.493 39.983 38.487 0.005 0.000 1.280 15 N HN 0.177 nan 8.380 nan 0.000 0.489 16 P HA -0.094 nan 4.420 nan 0.000 0.262 16 P C -0.367 176.938 177.300 0.008 0.000 1.151 16 P CA 0.700 63.806 63.100 0.010 0.000 0.757 16 P CB 0.379 32.083 31.700 0.006 0.000 0.754 17 S N 3.297 119.002 115.700 0.009 0.000 2.317 17 S HA 0.369 4.839 4.470 -0.000 0.000 0.144 17 S C -2.629 171.968 174.600 -0.006 0.000 1.660 17 S CA -1.188 57.013 58.200 0.002 0.000 1.273 17 S CB 0.036 63.240 63.200 0.006 0.000 1.330 17 S HN 0.189 nan 8.310 nan 0.000 0.395 18 P HA 0.475 nan 4.420 nan 0.000 0.281 18 P C 0.714 177.988 177.300 -0.045 0.000 1.264 18 P CA -0.674 62.416 63.100 -0.017 0.000 0.824 18 P CB 0.785 32.479 31.700 -0.010 0.000 1.092 19 I N -0.740 119.790 120.570 -0.066 0.000 2.286 19 I HA -0.036 4.134 4.170 -0.000 0.000 0.245 19 I C 1.664 177.743 176.117 -0.063 0.000 1.104 19 I CA 1.155 62.387 61.300 -0.113 0.000 1.397 19 I CB -0.489 37.402 38.000 -0.182 0.000 1.072 19 I HN 0.285 nan 8.210 nan 0.000 0.417 20 R N 0.649 121.127 120.500 -0.037 0.000 2.210 20 R HA 0.172 4.511 4.340 -0.000 0.000 0.338 20 R C 0.743 177.033 176.300 -0.017 0.000 1.062 20 R CA 0.466 56.554 56.100 -0.021 0.000 0.902 20 R CB 0.661 30.953 30.300 -0.014 0.000 1.050 20 R HN 0.222 nan 8.270 nan 0.000 0.461 21 T N 2.422 116.967 114.554 -0.015 0.000 3.397 21 T HA 0.078 4.428 4.350 -0.000 0.000 0.233 21 T C 1.042 175.737 174.700 -0.008 0.000 0.969 21 T CA -0.007 62.087 62.100 -0.011 0.000 1.316 21 T CB 0.161 69.021 68.868 -0.013 0.000 1.175 21 T HN 0.472 nan 8.240 nan 0.000 0.381 22 M N 2.597 122.193 119.600 -0.007 0.000 2.561 22 M HA 0.268 4.748 4.480 -0.000 0.000 0.238 22 M C 1.665 177.962 176.300 -0.004 0.000 1.131 22 M CA 0.745 56.042 55.300 -0.005 0.000 1.046 22 M CB -0.010 32.587 32.600 -0.004 0.000 1.532 22 M HN 0.581 nan 8.290 nan 0.000 0.497 23 T N -3.840 110.711 114.554 -0.005 0.000 3.169 23 T HA 0.052 4.402 4.350 -0.000 0.000 0.250 23 T C 1.286 175.983 174.700 -0.005 0.000 1.111 23 T CA 0.384 62.482 62.100 -0.004 0.000 1.010 23 T CB -0.198 68.668 68.868 -0.002 0.000 0.984 23 T HN 0.199 nan 8.240 nan 0.000 0.537 24 D N 2.338 122.735 120.400 -0.005 0.000 2.183 24 D HA -0.035 4.605 4.640 -0.000 0.000 0.203 24 D C 1.629 177.926 176.300 -0.004 0.000 0.969 24 D CA 0.655 54.653 54.000 -0.005 0.000 0.842 24 D CB -0.158 40.639 40.800 -0.004 0.000 0.957 24 D HN 0.702 nan 8.370 nan 0.000 0.484 25 I N -1.663 118.904 120.570 -0.004 0.000 3.891 25 I HA 0.218 4.388 4.170 -0.000 0.000 0.331 25 I C 1.123 177.237 176.117 -0.004 0.000 1.406 25 I CA -0.123 61.175 61.300 -0.003 0.000 1.139 25 I CB 0.181 38.179 38.000 -0.003 0.000 1.056 25 I HN -0.034 nan 8.210 nan 0.000 0.399 26 L N 0.550 121.770 121.223 -0.004 0.000 2.253 26 L HA 0.148 4.488 4.340 -0.000 0.000 0.205 26 L C 2.340 179.207 176.870 -0.005 0.000 1.078 26 L CA 1.617 56.454 54.840 -0.004 0.000 0.805 26 L CB -0.249 41.808 42.059 -0.004 0.000 0.963 26 L HN 0.237 nan 8.230 nan 0.000 0.459 27 S N 0.282 115.979 115.700 -0.006 0.000 2.402 27 S HA -0.103 4.367 4.470 -0.000 0.000 0.229 27 S C 1.458 176.054 174.600 -0.007 0.000 1.021 27 S CA 1.288 59.483 58.200 -0.007 0.000 0.974 27 S CB -0.238 62.957 63.200 -0.008 0.000 0.800 27 S HN 0.692 nan 8.310 nan 0.000 0.484 28 R N -0.013 120.484 120.500 -0.006 0.000 2.642 28 R HA 0.515 4.855 4.340 -0.000 0.000 0.435 28 R C 0.631 176.929 176.300 -0.004 0.000 1.046 28 R CA 0.025 56.121 56.100 -0.005 0.000 1.103 28 R CB -0.311 29.986 30.300 -0.005 0.000 1.425 28 R HN 0.186 nan 8.270 nan 0.000 0.586 29 G N 0.789 109.586 108.800 -0.004 0.000 3.019 29 G HA2 0.512 4.472 3.960 -0.000 0.000 0.152 29 G HA3 0.512 4.472 3.960 -0.000 0.000 0.152 29 G C -1.994 172.903 174.900 -0.004 0.000 1.320 29 G CA -1.393 43.705 45.100 -0.004 0.000 1.013 29 G HN 0.142 nan 8.290 nan 0.000 0.593 30 P HA 0.262 nan 4.420 nan 0.000 0.268 30 P C -0.195 177.102 177.300 -0.005 0.000 1.204 30 P CA 0.072 63.170 63.100 -0.004 0.000 0.768 30 P CB 1.216 32.913 31.700 -0.004 0.000 0.842 31 K N 1.245 121.642 120.400 -0.005 0.000 2.410 31 K HA 0.079 4.399 4.320 -0.000 0.000 0.200 31 K C 0.419 177.015 176.600 -0.006 0.000 1.023 31 K CA 0.087 56.370 56.287 -0.006 0.000 1.149 31 K CB -0.123 32.372 32.500 -0.007 0.000 0.859 31 K HN 0.359 nan 8.250 nan 0.000 0.514 32 S N -0.126 115.570 115.700 -0.006 0.000 2.562 32 S HA 0.241 4.711 4.470 -0.000 0.000 0.246 32 S C 0.028 174.625 174.600 -0.005 0.000 1.056 32 S CA -0.860 57.336 58.200 -0.006 0.000 1.042 32 S CB -0.312 62.885 63.200 -0.005 0.000 0.822 32 S HN 0.233 nan 8.310 nan 0.000 0.465 33 M N 2.402 121.999 119.600 -0.005 0.000 2.200 33 M HA 0.464 4.944 4.480 -0.000 0.000 0.355 33 M C -0.983 175.314 176.300 -0.005 0.000 1.283 33 M CA -0.233 55.065 55.300 -0.005 0.000 1.124 33 M CB 0.178 32.775 32.600 -0.004 0.000 1.625 33 M HN 0.332 nan 8.290 nan 0.000 0.463 34 I N 4.037 124.604 120.570 -0.004 0.000 2.337 34 I HA 0.267 4.437 4.170 -0.000 0.000 0.285 34 I C -0.227 175.888 176.117 -0.004 0.000 1.041 34 I CA -0.361 60.937 61.300 -0.005 0.000 1.199 34 I CB 0.989 38.986 38.000 -0.005 0.000 1.370 34 I HN 0.608 nan 8.210 nan 0.000 0.470 35 S N 5.994 121.692 115.700 -0.003 0.000 2.508 35 S HA 0.617 5.087 4.470 -0.000 0.000 0.284 35 S C 0.406 175.005 174.600 -0.001 0.000 1.192 35 S CA -0.478 57.721 58.200 -0.002 0.000 1.070 35 S CB 0.874 64.073 63.200 -0.002 0.000 1.004 35 S HN 0.603 nan 8.310 nan 0.000 0.493 36 L N 3.839 125.062 121.223 -0.001 0.000 3.184 36 L HA 0.383 4.723 4.340 -0.000 0.000 0.283 36 L C 1.823 178.694 176.870 0.002 0.000 1.218 36 L CA -0.082 54.758 54.840 0.000 0.000 1.028 36 L CB -0.036 42.023 42.059 -0.000 0.000 1.400 36 L HN 0.735 nan 8.230 nan 0.000 0.591 37 A N 0.534 123.355 122.820 0.001 0.000 1.970 37 A HA 0.230 4.550 4.320 -0.000 0.000 0.216 37 A C 1.508 179.092 177.584 0.000 0.000 1.170 37 A CA 0.887 52.924 52.037 -0.000 0.000 0.645 37 A CB -0.550 18.449 19.000 -0.002 0.000 0.816 37 A HN 0.333 nan 8.150 nan 0.000 0.447 38 G N -1.813 106.988 108.800 0.003 0.000 2.636 38 G HA2 0.387 4.347 3.960 -0.000 0.000 0.246 38 G HA3 0.387 4.347 3.960 -0.000 0.000 0.246 38 G C 0.782 175.688 174.900 0.010 0.000 1.216 38 G CA 0.098 45.201 45.100 0.005 0.000 0.854 38 G HN 0.590 nan 8.290 nan 0.000 0.572 39 G N -0.460 108.344 108.800 0.006 0.000 3.159 39 G HA2 0.287 4.247 3.960 -0.000 0.000 0.232 39 G HA3 0.287 4.247 3.960 -0.000 0.000 0.232 39 G C 0.653 175.602 174.900 0.081 0.000 1.116 39 G CA -0.485 44.626 45.100 0.017 0.000 0.767 39 G HN 0.491 nan 8.290 nan 0.000 0.547 40 L N 2.199 123.493 121.223 0.118 0.000 2.485 40 L HA 0.243 4.583 4.340 -0.000 0.000 0.275 40 L C -1.544 175.440 176.870 0.191 0.000 1.207 40 L CA -1.514 53.476 54.840 0.251 0.000 0.855 40 L CB 0.005 42.184 42.059 0.199 0.000 1.114 40 L HN 0.003 nan 8.230 nan 0.000 0.485 41 P HA 0.013 nan 4.420 nan 0.000 0.274 41 P C -0.677 176.601 177.300 -0.037 0.000 1.246 41 P CA -0.580 62.583 63.100 0.106 0.000 0.795 41 P CB 0.450 32.251 31.700 0.168 0.000 1.006 42 N N 2.019 120.640 118.700 -0.131 0.000 2.438 42 N HA 0.014 4.754 4.740 -0.000 0.000 0.267 42 N C -1.392 173.831 175.510 -0.478 0.000 1.222 42 N CA -1.235 51.691 53.050 -0.207 0.000 0.930 42 N CB 0.407 38.798 38.487 -0.160 0.000 1.083 42 N HN 0.196 nan 8.380 nan 0.000 0.476 43 P HA -0.014 nan 4.420 nan 0.000 0.225 43 P C 0.389 177.401 177.300 -0.481 0.000 1.156 43 P CA 0.711 63.465 63.100 -0.576 0.000 0.787 43 P CB 0.369 32.009 31.700 -0.099 0.000 0.802 44 N N -0.628 117.900 118.700 -0.286 0.000 2.585 44 N HA -0.036 4.704 4.740 -0.000 0.000 0.188 44 N C 1.408 176.806 175.510 -0.188 0.000 1.102 44 N CA 0.774 53.725 53.050 -0.165 0.000 0.920 44 N CB -0.538 37.886 38.487 -0.105 0.000 0.963 44 N HN 0.171 nan 8.380 nan 0.000 0.447 45 M N -0.408 118.974 119.600 -0.363 0.000 2.541 45 M HA 0.111 4.591 4.480 -0.000 0.000 0.252 45 M C -0.331 175.937 176.300 -0.054 0.000 1.125 45 M CA 0.222 55.381 55.300 -0.235 0.000 1.091 45 M CB -0.344 32.104 32.600 -0.254 0.000 1.420 45 M HN -0.144 nan 8.290 nan 0.000 0.486 46 F N 1.127 121.055 119.950 -0.036 0.000 2.399 46 F HA 0.285 4.811 4.527 -0.000 0.000 0.342 46 F C -1.297 174.430 175.800 -0.122 0.000 1.106 46 F CA -2.592 55.371 58.000 -0.061 0.000 1.196 46 F CB -0.508 38.505 39.000 0.022 0.000 1.163 46 F HN -0.036 nan 8.300 nan 0.000 0.547 47 P HA 0.007 nan 4.420 nan 0.000 0.226 47 P C -0.351 176.783 177.300 -0.276 0.000 1.161 47 P CA 0.729 63.647 63.100 -0.305 0.000 0.804 47 P CB 0.167 31.519 31.700 -0.579 0.000 0.829 48 F N 0.334 120.329 119.950 0.074 0.000 2.412 48 F HA 0.292 4.819 4.527 -0.000 0.000 0.348 48 F C 1.708 177.570 175.800 0.103 0.000 1.102 48 F CA -0.072 57.965 58.000 0.061 0.000 1.196 48 F CB 0.571 39.584 39.000 0.023 0.000 1.144 48 F HN -0.325 nan 8.300 nan 0.000 0.541 49 K N 0.331 120.883 120.400 0.253 0.000 2.403 49 K HA 0.169 4.489 4.320 -0.000 0.000 0.199 49 K C 0.306 177.017 176.600 0.185 0.000 1.199 49 K CA 0.677 57.072 56.287 0.180 0.000 0.924 49 K CB 0.642 33.208 32.500 0.109 0.000 1.137 49 K HN 0.778 nan 8.250 nan 0.000 0.510 50 T N -1.712 112.956 114.554 0.189 0.000 2.889 50 T HA 0.783 5.132 4.350 -0.000 0.000 0.315 50 T C -1.553 173.237 174.700 0.150 0.000 1.291 50 T CA -0.872 61.332 62.100 0.173 0.000 1.028 50 T CB 2.299 71.231 68.868 0.107 0.000 1.235 50 T HN 0.056 nan 8.240 nan 0.000 0.491 51 A N 1.421 124.309 122.820 0.114 0.000 2.449 51 A HA 0.805 5.125 4.320 -0.000 0.000 0.302 51 A C -1.102 176.426 177.584 -0.093 0.000 1.048 51 A CA -0.812 51.213 52.037 -0.021 0.000 0.708 51 A CB 1.984 20.907 19.000 -0.129 0.000 1.274 51 A HN 1.096 nan 8.150 nan 0.000 0.410 52 V N 2.737 122.594 119.914 -0.094 0.000 2.487 52 V HA 0.553 4.673 4.120 -0.000 0.000 0.298 52 V C -0.647 175.365 176.094 -0.137 0.000 1.028 52 V CA -0.163 62.076 62.300 -0.102 0.000 0.860 52 V CB 1.302 33.094 31.823 -0.051 0.000 0.991 52 V HN 0.716 nan 8.190 nan 0.000 0.427 53 I N 3.920 124.387 120.570 -0.173 0.000 2.478 53 I HA 0.388 4.558 4.170 -0.000 0.000 0.287 53 I C 0.167 176.197 176.117 -0.146 0.000 1.042 53 I CA -0.412 60.782 61.300 -0.176 0.000 1.067 53 I CB 2.542 40.385 38.000 -0.262 0.000 1.233 53 I HN 0.699 nan 8.210 nan 0.000 0.431 54 T N 3.564 118.051 114.554 -0.112 0.000 2.771 54 T HA 0.629 4.979 4.350 -0.000 0.000 0.291 54 T C -0.286 174.351 174.700 -0.105 0.000 0.954 54 T CA -0.628 61.416 62.100 -0.093 0.000 1.045 54 T CB 1.263 70.094 68.868 -0.062 0.000 0.917 54 T HN 0.188 nan 8.240 nan 0.000 0.484 55 V N 3.433 123.280 119.914 -0.112 0.000 2.472 55 V HA 0.385 4.505 4.120 -0.000 0.000 0.290 55 V C 0.510 176.578 176.094 -0.044 0.000 1.037 55 V CA -0.970 61.259 62.300 -0.118 0.000 0.908 55 V CB 1.406 33.103 31.823 -0.210 0.000 0.985 55 V HN 1.019 nan 8.190 nan 0.000 0.454 56 E N 3.533 123.727 120.200 -0.010 0.000 2.257 56 E HA 0.202 4.552 4.350 -0.000 0.000 0.278 56 E C 0.324 176.999 176.600 0.126 0.000 1.049 56 E CA 0.170 56.596 56.400 0.043 0.000 0.876 56 E CB 0.020 29.742 29.700 0.037 0.000 1.035 56 E HN 0.770 nan 8.360 nan 0.000 0.419 57 N N 1.648 120.426 118.700 0.130 0.000 2.901 57 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 57 N C -0.603 175.114 175.510 0.346 0.000 1.044 57 N CA 0.987 54.159 53.050 0.204 0.000 0.847 57 N CB -0.876 37.736 38.487 0.208 0.000 1.127 57 N HN 0.556 nan 8.380 nan 0.000 0.562 58 G N -1.032 107.887 108.800 0.199 0.000 2.695 58 G HA2 0.556 4.515 3.960 -0.000 0.000 0.290 58 G HA3 0.556 4.515 3.960 -0.000 0.000 0.290 58 G C -1.149 173.752 174.900 0.001 0.000 1.410 58 G CA -0.775 44.392 45.100 0.112 0.000 0.844 58 G HN -0.042 nan 8.290 nan 0.000 0.478 59 K N 0.865 121.247 120.400 -0.031 0.000 2.382 59 K HA 0.196 4.516 4.320 -0.000 0.000 0.275 59 K C 0.420 176.966 176.600 -0.089 0.000 1.009 59 K CA 0.064 56.325 56.287 -0.044 0.000 0.970 59 K CB 0.658 33.134 32.500 -0.040 0.000 0.934 59 K HN 0.461 nan 8.250 nan 0.000 0.479 60 T N 3.482 117.995 114.554 -0.068 0.000 2.871 60 T HA 0.052 4.402 4.350 -0.000 0.000 0.296 60 T C 0.893 175.535 174.700 -0.096 0.000 0.998 60 T CA 0.066 62.116 62.100 -0.083 0.000 1.162 60 T CB 0.030 68.864 68.868 -0.057 0.000 0.947 60 T HN 0.291 nan 8.240 nan 0.000 0.536 61 I N 3.923 124.412 120.570 -0.136 0.000 2.416 61 I HA 0.179 4.349 4.170 -0.000 0.000 0.288 61 I C 0.698 176.753 176.117 -0.104 0.000 1.051 61 I CA -0.045 61.176 61.300 -0.132 0.000 1.375 61 I CB 0.525 38.403 38.000 -0.203 0.000 1.407 61 I HN 0.492 nan 8.210 nan 0.000 0.516 62 Q N 5.726 125.539 119.800 0.022 0.000 2.372 62 Q HA 0.501 4.841 4.340 -0.000 0.000 0.273 62 Q C -1.532 174.693 176.000 0.376 0.000 1.078 62 Q CA -0.783 55.068 55.803 0.079 0.000 0.806 62 Q CB 3.034 31.797 28.738 0.042 0.000 1.332 62 Q HN 0.371 nan 8.270 nan 0.000 0.435 63 F N 0.973 120.876 119.950 -0.078 0.000 2.375 63 F HA 0.428 4.955 4.527 -0.000 0.000 0.361 63 F C 0.827 176.614 175.800 -0.022 0.000 1.117 63 F CA -0.990 56.969 58.000 -0.069 0.000 1.037 63 F CB 1.119 40.075 39.000 -0.072 0.000 1.192 63 F HN 0.607 nan 8.300 nan 0.000 0.452 64 G N 2.664 111.530 108.800 0.110 0.000 2.621 64 G HA2 0.186 4.146 3.960 -0.000 0.000 0.271 64 G HA3 0.186 4.146 3.960 -0.000 0.000 0.271 64 G C 0.874 175.814 174.900 0.067 0.000 1.236 64 G CA -0.391 44.749 45.100 0.067 0.000 0.958 64 G HN 0.536 nan 8.290 nan 0.000 0.512 65 E N 0.086 120.318 120.200 0.053 0.000 2.097 65 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 65 E C 1.787 178.408 176.600 0.036 0.000 1.000 65 E CA 1.245 57.679 56.400 0.057 0.000 0.804 65 E CB -0.241 29.484 29.700 0.042 0.000 0.740 65 E HN 0.519 nan 8.360 nan 0.000 0.454 66 E N 0.477 120.678 120.200 0.002 0.000 2.046 66 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 66 E C 2.011 178.579 176.600 -0.052 0.000 0.982 66 E CA 0.797 57.185 56.400 -0.019 0.000 0.800 66 E CB -0.400 29.281 29.700 -0.031 0.000 0.756 66 E HN 0.181 nan 8.360 nan 0.000 0.449 67 M N 0.615 120.153 119.600 -0.104 0.000 2.080 67 M HA -0.153 4.327 4.480 -0.000 0.000 0.260 67 M C 2.192 178.347 176.300 -0.241 0.000 1.068 67 M CA 1.432 56.588 55.300 -0.241 0.000 1.109 67 M CB -0.514 31.884 32.600 -0.337 0.000 1.342 67 M HN 0.127 nan 8.290 nan 0.000 0.405 68 M N -0.063 119.508 119.600 -0.048 0.000 2.202 68 M HA -0.178 4.302 4.480 -0.000 0.000 0.262 68 M C 1.731 178.128 176.300 0.162 0.000 1.063 68 M CA 1.875 57.267 55.300 0.154 0.000 1.097 68 M CB -0.410 32.349 32.600 0.265 0.000 1.382 68 M HN 0.266 nan 8.290 nan 0.000 0.413 69 K N -0.953 119.507 120.400 0.099 0.000 2.103 69 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 69 K C 2.205 178.865 176.600 0.100 0.000 1.052 69 K CA 1.300 57.662 56.287 0.126 0.000 0.945 69 K CB -0.198 32.344 32.500 0.071 0.000 0.722 69 K HN 0.409 nan 8.250 nan 0.000 0.443 70 R N 0.970 121.477 120.500 0.012 0.000 2.075 70 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 70 R C 2.073 178.374 176.300 0.001 0.000 1.126 70 R CA 1.319 57.408 56.100 -0.019 0.000 0.963 70 R CB -0.193 30.049 30.300 -0.097 0.000 0.858 70 R HN 0.117 nan 8.270 nan 0.000 0.435 71 A N 0.597 123.410 122.820 -0.011 0.000 2.070 71 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 71 A C 1.854 179.568 177.584 0.217 0.000 1.159 71 A CA 0.962 53.050 52.037 0.085 0.000 0.656 71 A CB -0.159 18.935 19.000 0.157 0.000 0.800 71 A HN 0.395 nan 8.150 nan 0.000 0.453 72 L N -1.515 119.822 121.223 0.190 0.000 2.693 72 L HA 0.168 4.508 4.340 -0.000 0.000 0.235 72 L C 0.778 177.702 176.870 0.090 0.000 1.127 72 L CA -0.204 54.706 54.840 0.116 0.000 0.914 72 L CB 0.213 42.397 42.059 0.207 0.000 1.193 72 L HN 0.333 nan 8.230 nan 0.000 0.502 73 Q N -0.343 119.549 119.800 0.152 0.000 2.205 73 Q HA 0.241 4.580 4.340 -0.000 0.000 0.249 73 Q C -0.928 175.120 176.000 0.079 0.000 0.948 73 Q CA -0.555 55.339 55.803 0.152 0.000 0.895 73 Q CB 0.722 29.555 28.738 0.160 0.000 1.249 73 Q HN -0.020 nan 8.270 nan 0.000 0.458 74 Y N 0.729 121.124 120.300 0.159 0.000 2.805 74 Y HA 0.124 4.674 4.550 -0.000 0.000 0.337 74 Y C 0.860 176.692 175.900 -0.115 0.000 1.252 74 Y CA 1.042 59.211 58.100 0.116 0.000 1.515 74 Y CB 0.309 38.850 38.460 0.135 0.000 1.305 74 Y HN 0.650 nan 8.280 nan 0.000 0.600 75 S N 2.858 118.343 115.700 -0.359 0.000 2.810 75 S HA 0.780 5.250 4.470 -0.000 0.000 0.315 75 S C -3.004 171.360 174.600 -0.394 0.000 1.138 75 S CA -1.923 56.062 58.200 -0.359 0.000 0.889 75 S CB 1.979 65.016 63.200 -0.273 0.000 1.236 75 S HN 0.247 nan 8.310 nan 0.000 0.548 76 P HA 0.369 nan 4.420 nan 0.000 0.272 76 P C 0.408 177.696 177.300 -0.020 0.000 1.223 76 P CA -0.344 62.709 63.100 -0.078 0.000 0.784 76 P CB 0.432 32.106 31.700 -0.043 0.000 0.923 77 S N 1.506 117.231 115.700 0.041 0.000 2.370 77 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 77 S C 1.646 176.301 174.600 0.092 0.000 1.033 77 S CA 1.797 60.055 58.200 0.097 0.000 1.011 77 S CB -0.753 62.486 63.200 0.064 0.000 0.852 77 S HN 0.654 nan 8.310 nan 0.000 0.457 78 A N 0.342 123.195 122.820 0.055 0.000 2.348 78 A HA 0.608 4.927 4.320 -0.000 0.000 0.224 78 A C 0.838 178.453 177.584 0.051 0.000 1.227 78 A CA 0.402 52.470 52.037 0.051 0.000 0.885 78 A CB -0.160 18.859 19.000 0.033 0.000 0.933 78 A HN 0.768 nan 8.150 nan 0.000 0.506 79 G N -0.293 108.537 108.800 0.049 0.000 2.335 79 G HA2 0.266 4.226 3.960 -0.000 0.000 0.592 79 G HA3 0.266 4.226 3.960 -0.000 0.000 0.592 79 G C -0.273 174.633 174.900 0.010 0.000 1.442 79 G CA -0.528 44.598 45.100 0.044 0.000 0.976 79 G HN 1.097 nan 8.290 nan 0.000 0.652 80 I N -0.426 120.143 120.570 -0.003 0.000 2.813 80 I HA 0.360 4.530 4.170 -0.000 0.000 0.287 80 I C -1.222 174.890 176.117 -0.008 0.000 1.196 80 I CA -1.416 59.870 61.300 -0.024 0.000 1.421 80 I CB 0.787 38.762 38.000 -0.042 0.000 1.365 80 I HN 0.263 nan 8.210 nan 0.000 0.591 81 P HA -0.132 nan 4.420 nan 0.000 0.216 81 P C 1.089 178.410 177.300 0.034 0.000 1.150 81 P CA 1.508 64.611 63.100 0.005 0.000 0.837 81 P CB 0.164 31.859 31.700 -0.008 0.000 0.786 82 E N -0.613 119.599 120.200 0.021 0.000 2.051 82 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 82 E C 1.811 178.549 176.600 0.230 0.000 0.991 82 E CA 0.927 57.378 56.400 0.085 0.000 0.799 82 E CB -1.017 28.636 29.700 -0.078 0.000 0.748 82 E HN 0.130 nan 8.360 nan 0.000 0.449 83 L N 0.076 121.365 121.223 0.110 0.000 2.313 83 L HA 0.052 4.392 4.340 -0.000 0.000 0.214 83 L C 1.723 178.633 176.870 0.066 0.000 1.119 83 L CA 1.109 55.995 54.840 0.078 0.000 0.809 83 L CB -0.049 42.014 42.059 0.008 0.000 0.933 83 L HN 0.120 nan 8.230 nan 0.000 0.449 84 L N -1.195 120.062 121.223 0.056 0.000 2.209 84 L HA 0.026 4.366 4.340 -0.000 0.000 0.207 84 L C 2.425 179.313 176.870 0.029 0.000 1.094 84 L CA 1.700 56.550 54.840 0.017 0.000 0.790 84 L CB -0.432 41.636 42.059 0.015 0.000 0.932 84 L HN 0.371 nan 8.230 nan 0.000 0.447 85 S N -2.051 113.696 115.700 0.078 0.000 2.395 85 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 85 S C 1.731 176.370 174.600 0.064 0.000 1.027 85 S CA 0.938 59.177 58.200 0.066 0.000 0.965 85 S CB -0.924 62.329 63.200 0.090 0.000 0.812 85 S HN 0.615 nan 8.310 nan 0.000 0.482 86 W N 2.284 123.526 121.300 -0.098 0.000 2.453 86 W HA 0.188 4.848 4.660 -0.000 0.000 0.289 86 W C 1.717 178.100 176.519 -0.227 0.000 1.215 86 W CA 0.504 57.725 57.345 -0.206 0.000 1.297 86 W CB -0.145 29.076 29.460 -0.399 0.000 1.113 86 W HN 0.144 nan 8.180 nan 0.000 0.551 87 L N 0.608 121.916 121.223 0.143 0.000 2.046 87 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 87 L C 2.313 179.091 176.870 -0.154 0.000 1.077 87 L CA 1.601 56.353 54.840 -0.148 0.000 0.747 87 L CB -0.861 40.926 42.059 -0.453 0.000 0.896 87 L HN -0.074 nan 8.230 nan 0.000 0.432 88 K N -0.577 119.765 120.400 -0.096 0.000 2.097 88 K HA -0.209 4.111 4.320 -0.000 0.000 0.205 88 K C 2.172 178.706 176.600 -0.110 0.000 1.050 88 K CA 0.932 57.171 56.287 -0.079 0.000 0.938 88 K CB -0.120 32.349 32.500 -0.051 0.000 0.718 88 K HN 0.048 nan 8.250 nan 0.000 0.442 89 Q N 1.223 120.927 119.800 -0.159 0.000 2.226 89 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 89 Q C 1.789 177.624 176.000 -0.275 0.000 0.975 89 Q CA 1.132 56.799 55.803 -0.226 0.000 0.866 89 Q CB -0.069 28.485 28.738 -0.308 0.000 0.915 89 Q HN 0.309 nan 8.270 nan 0.000 0.440 90 L N -0.590 120.457 121.223 -0.293 0.000 2.162 90 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 90 L C 1.908 178.711 176.870 -0.110 0.000 1.086 90 L CA 1.204 55.894 54.840 -0.250 0.000 0.778 90 L CB -0.282 41.637 42.059 -0.233 0.000 0.928 90 L HN 0.057 nan 8.230 nan 0.000 0.446 91 Q N 0.143 119.912 119.800 -0.051 0.000 2.096 91 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 91 Q C 2.341 178.339 176.000 -0.004 0.000 0.982 91 Q CA 2.219 58.040 55.803 0.030 0.000 0.850 91 Q CB -0.436 28.346 28.738 0.073 0.000 0.901 91 Q HN 0.606 nan 8.270 nan 0.000 0.422 92 I N 0.615 121.150 120.570 -0.060 0.000 2.252 92 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 92 I C 2.397 178.472 176.117 -0.071 0.000 1.102 92 I CA 1.081 62.339 61.300 -0.071 0.000 1.385 92 I CB -0.128 37.817 38.000 -0.092 0.000 1.064 92 I HN 0.063 nan 8.210 nan 0.000 0.414 93 K N 0.033 120.373 120.400 -0.100 0.000 2.057 93 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 93 K C 1.996 178.551 176.600 -0.076 0.000 1.050 93 K CA 1.251 57.484 56.287 -0.091 0.000 0.935 93 K CB -0.280 32.150 32.500 -0.117 0.000 0.715 93 K HN 0.173 nan 8.250 nan 0.000 0.439 94 L N -0.597 120.552 121.223 -0.124 0.000 2.375 94 L HA -0.011 4.329 4.340 -0.000 0.000 0.215 94 L C 1.190 177.939 176.870 -0.201 0.000 1.108 94 L CA 1.722 56.437 54.840 -0.208 0.000 0.830 94 L CB -0.130 41.680 42.059 -0.415 0.000 0.959 94 L HN 0.265 nan 8.230 nan 0.000 0.457 95 H N -3.883 115.173 119.070 -0.023 0.000 3.412 95 H HA 0.124 4.679 4.556 -0.000 0.000 0.233 95 H C 0.372 175.660 175.328 -0.067 0.000 0.953 95 H CA 0.068 56.083 56.048 -0.054 0.000 1.049 95 H CB 0.508 30.217 29.762 -0.089 0.000 1.406 95 H HN 0.049 nan 8.280 nan 0.000 0.557 96 N N 1.687 120.413 118.700 0.044 0.000 2.702 96 N HA -0.105 4.635 4.740 -0.000 0.000 0.255 96 N C -2.766 172.707 175.510 -0.062 0.000 0.983 96 N CA -0.037 52.998 53.050 -0.026 0.000 0.768 96 N CB -0.628 37.842 38.487 -0.029 0.000 0.918 96 N HN 0.198 nan 8.380 nan 0.000 0.540 97 P HA -0.059 nan 4.420 nan 0.000 0.257 97 P C -1.746 175.437 177.300 -0.195 0.000 1.153 97 P CA -0.631 62.395 63.100 -0.123 0.000 0.762 97 P CB 0.259 31.885 31.700 -0.124 0.000 0.743 98 P HA -0.157 nan 4.420 nan 0.000 0.222 98 P C 0.996 177.975 177.300 -0.535 0.000 1.142 98 P CA 1.526 64.487 63.100 -0.232 0.000 0.788 98 P CB -0.308 31.311 31.700 -0.135 0.000 0.767 99 T N -4.198 109.974 114.554 -0.637 0.000 3.086 99 T HA 0.089 4.439 4.350 -0.000 0.000 0.250 99 T C 1.618 175.907 174.700 -0.686 0.000 1.074 99 T CA -0.206 61.228 62.100 -1.111 0.000 0.988 99 T CB -1.145 67.388 68.868 -0.559 0.000 0.988 99 T HN 0.178 nan 8.240 nan 0.000 0.530 100 I N -0.161 120.115 120.570 -0.490 0.000 2.145 100 I HA -0.245 3.925 4.170 -0.000 0.000 0.244 100 I C 1.885 177.790 176.117 -0.352 0.000 1.075 100 I CA 1.671 62.706 61.300 -0.441 0.000 1.332 100 I CB -0.881 36.770 38.000 -0.581 0.000 1.033 100 I HN 0.286 nan 8.210 nan 0.000 0.410 101 H N -1.356 117.686 119.070 -0.046 0.000 2.594 101 H HA 0.344 4.900 4.556 0.000 0.000 0.279 101 H C 0.050 175.493 175.328 0.192 0.000 1.042 101 H CA -0.549 55.534 56.048 0.058 0.000 1.177 101 H CB 0.042 29.835 29.762 0.052 0.000 1.524 101 H HN 0.297 nan 8.280 nan 0.000 0.537 102 Y N 1.585 121.935 120.300 0.083 0.000 2.554 102 Y HA -0.049 4.501 4.550 -0.000 0.000 0.353 102 Y C -1.740 174.198 175.900 0.063 0.000 1.269 102 Y CA -2.118 56.022 58.100 0.065 0.000 1.494 102 Y CB 0.039 38.529 38.460 0.051 0.000 1.365 102 Y HN 0.078 nan 8.280 nan 0.000 0.664 103 P HA 0.021 nan 4.420 nan 0.000 0.271 103 P C -2.148 175.227 177.300 0.124 0.000 1.216 103 P CA -1.028 62.147 63.100 0.124 0.000 0.776 103 P CB 0.465 32.206 31.700 0.068 0.000 0.881 104 P HA -0.269 nan 4.420 nan 0.000 0.214 104 P C 1.616 178.948 177.300 0.052 0.000 1.169 104 P CA 2.172 65.305 63.100 0.055 0.000 0.908 104 P CB -0.412 31.308 31.700 0.034 0.000 0.791 105 S N -1.098 114.638 115.700 0.060 0.000 2.419 105 S HA -0.226 4.244 4.470 -0.000 0.000 0.235 105 S C 1.804 176.495 174.600 0.151 0.000 1.019 105 S CA 1.155 59.403 58.200 0.080 0.000 0.982 105 S CB -1.174 62.070 63.200 0.073 0.000 0.789 105 S HN 0.223 nan 8.310 nan 0.000 0.490 106 Q N 0.504 120.393 119.800 0.147 0.000 2.247 106 Q HA 0.312 4.652 4.340 -0.000 0.000 0.205 106 Q C 0.727 176.914 176.000 0.312 0.000 0.896 106 Q CA 0.257 56.170 55.803 0.185 0.000 0.950 106 Q CB 0.094 28.863 28.738 0.051 0.000 1.054 106 Q HN 0.849 nan 8.270 nan 0.000 0.482 107 G N 1.528 110.483 108.800 0.258 0.000 2.131 107 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.201 107 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.201 107 G C -0.091 174.895 174.900 0.143 0.000 1.000 107 G CA 0.050 45.277 45.100 0.212 0.000 0.680 107 G HN 0.434 nan 8.290 nan 0.000 0.514 108 Q N 0.067 119.943 119.800 0.126 0.000 2.310 108 Q HA 0.244 4.584 4.340 -0.000 0.000 0.315 108 Q C 1.124 177.110 176.000 -0.024 0.000 1.081 108 Q CA -0.055 55.785 55.803 0.062 0.000 0.981 108 Q CB 0.286 29.065 28.738 0.069 0.000 1.184 108 Q HN 0.463 nan 8.270 nan 0.000 0.389 109 M N 4.189 123.740 119.600 -0.080 0.000 2.390 109 M HA -0.038 4.442 4.480 -0.000 0.000 0.353 109 M C -0.927 175.339 176.300 -0.056 0.000 1.623 109 M CA 0.751 56.001 55.300 -0.084 0.000 1.065 109 M CB 0.057 32.584 32.600 -0.122 0.000 2.025 109 M HN 0.699 nan 8.290 nan 0.000 0.461 110 D N 4.562 124.934 120.400 -0.046 0.000 2.374 110 D HA 0.688 5.328 4.640 -0.000 0.000 0.239 110 D C -1.728 174.563 176.300 -0.014 0.000 0.991 110 D CA -0.420 53.561 54.000 -0.031 0.000 0.960 110 D CB 1.935 42.713 40.800 -0.036 0.000 1.284 110 D HN 0.702 nan 8.370 nan 0.000 0.512 111 L N 1.558 122.781 121.223 -0.000 0.000 2.464 111 L HA 0.529 4.869 4.340 -0.000 0.000 0.266 111 L C -1.314 175.573 176.870 0.027 0.000 0.965 111 L CA -0.520 54.336 54.840 0.026 0.000 0.833 111 L CB 1.212 43.284 42.059 0.022 0.000 1.296 111 L HN 0.698 nan 8.230 nan 0.000 0.405 112 C N 2.435 121.764 119.300 0.048 0.000 2.455 112 C HA 0.738 5.197 4.460 -0.000 0.000 0.320 112 C C 0.258 175.305 174.990 0.094 0.000 1.226 112 C CA -1.136 57.914 59.018 0.053 0.000 1.569 112 C CB 0.587 28.351 27.740 0.040 0.000 2.200 112 C HN 0.514 nan 8.230 nan 0.000 0.491 113 V N 3.916 123.883 119.914 0.088 0.000 2.585 113 V HA 0.411 4.531 4.120 -0.000 0.000 0.296 113 V C 1.091 177.250 176.094 0.107 0.000 1.035 113 V CA 0.915 63.289 62.300 0.124 0.000 1.084 113 V CB 0.644 32.529 31.823 0.105 0.000 0.953 113 V HN 1.135 nan 8.190 nan 0.000 0.483 114 T N 0.985 115.605 114.554 0.110 0.000 2.942 114 T HA 0.371 4.721 4.350 -0.000 0.000 0.289 114 T C 0.145 174.883 174.700 0.063 0.000 1.044 114 T CA -0.738 61.397 62.100 0.059 0.000 1.023 114 T CB 1.578 70.453 68.868 0.012 0.000 1.123 114 T HN 0.413 nan 8.240 nan 0.000 0.512 115 S N 1.649 117.370 115.700 0.034 0.000 4.117 115 S HA 0.505 4.975 4.470 -0.000 0.000 0.191 115 S C 0.947 175.566 174.600 0.031 0.000 1.308 115 S CA 0.206 58.427 58.200 0.035 0.000 0.906 115 S CB -1.406 61.798 63.200 0.008 0.000 1.565 115 S HN 1.472 nan 8.310 nan 0.000 0.439 116 G N 1.646 110.475 108.800 0.048 0.000 2.767 116 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.686 116 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.686 116 G C 0.708 175.595 174.900 -0.020 0.000 1.213 116 G CA -0.272 44.845 45.100 0.029 0.000 0.803 116 G HN 0.786 nan 8.290 nan 0.000 0.603 117 S N 0.296 115.955 115.700 -0.068 0.000 2.440 117 S HA -0.183 4.287 4.470 -0.000 0.000 0.240 117 S C 1.897 176.442 174.600 -0.092 0.000 1.014 117 S CA 2.283 60.408 58.200 -0.125 0.000 0.980 117 S CB -0.137 62.945 63.200 -0.197 0.000 0.775 117 S HN 0.801 nan 8.310 nan 0.000 0.499 118 Q N 0.059 119.830 119.800 -0.048 0.000 2.435 118 Q HA 0.061 4.401 4.340 -0.000 0.000 0.207 118 Q C 2.311 178.270 176.000 -0.068 0.000 0.956 118 Q CA 0.721 56.504 55.803 -0.034 0.000 0.917 118 Q CB -0.099 28.663 28.738 0.040 0.000 0.997 118 Q HN 0.762 nan 8.270 nan 0.000 0.497 119 Q N -0.326 119.437 119.800 -0.062 0.000 2.083 119 Q HA -0.112 4.228 4.340 -0.000 0.000 0.198 119 Q C 1.872 177.808 176.000 -0.106 0.000 0.969 119 Q CA 1.425 57.184 55.803 -0.074 0.000 0.838 119 Q CB -0.064 28.642 28.738 -0.055 0.000 0.900 119 Q HN 0.438 nan 8.270 nan 0.000 0.436 120 G N 0.890 109.628 108.800 -0.104 0.000 2.403 120 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 120 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 120 G C 1.345 176.126 174.900 -0.198 0.000 1.154 120 G CA 0.450 45.479 45.100 -0.120 0.000 0.784 120 G HN 0.320 nan 8.290 nan 0.000 0.538 121 L N 0.488 121.569 121.223 -0.237 0.000 2.013 121 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 121 L C 2.875 179.338 176.870 -0.679 0.000 1.073 121 L CA 1.920 56.505 54.840 -0.424 0.000 0.753 121 L CB -0.681 41.204 42.059 -0.291 0.000 0.890 121 L HN 0.306 nan 8.230 nan 0.000 0.432 122 C N -0.433 118.632 119.300 -0.392 0.000 2.453 122 C HA -0.153 4.306 4.460 -0.000 0.000 0.277 122 C C 2.762 177.645 174.990 -0.178 0.000 1.262 122 C CA 1.075 59.923 59.018 -0.282 0.000 1.718 122 C CB -0.780 26.900 27.740 -0.100 0.000 2.031 122 C HN 0.510 nan 8.230 nan 0.000 0.480 123 K N 0.035 120.366 120.400 -0.115 0.000 2.365 123 K HA -0.031 4.288 4.320 -0.000 0.000 0.199 123 K C 1.730 178.330 176.600 -0.001 0.000 1.045 123 K CA 0.835 57.144 56.287 0.036 0.000 0.962 123 K CB -0.019 32.514 32.500 0.055 0.000 0.759 123 K HN 0.423 nan 8.250 nan 0.000 0.469 124 V N 0.822 120.645 119.914 -0.152 0.000 2.307 124 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 124 V C 1.834 177.901 176.094 -0.045 0.000 1.045 124 V CA 1.687 63.895 62.300 -0.152 0.000 1.024 124 V CB -0.497 31.170 31.823 -0.260 0.000 0.651 124 V HN 0.252 nan 8.190 nan 0.000 0.449 125 F N 0.523 120.436 119.950 -0.063 0.000 2.126 125 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 125 F C 2.530 178.369 175.800 0.065 0.000 1.096 125 F CA 1.510 59.511 58.000 0.002 0.000 1.255 125 F CB -0.373 38.641 39.000 0.023 0.000 0.997 125 F HN 0.203 nan 8.300 nan 0.000 0.479 126 E N 0.130 120.461 120.200 0.218 0.000 2.150 126 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 126 E C 2.215 178.872 176.600 0.095 0.000 0.985 126 E CA 0.924 57.413 56.400 0.148 0.000 0.814 126 E CB -0.184 29.604 29.700 0.148 0.000 0.752 126 E HN 0.443 nan 8.360 nan 0.000 0.466 127 M N 0.170 119.826 119.600 0.093 0.000 2.117 127 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 127 M C 2.137 178.514 176.300 0.128 0.000 1.065 127 M CA 1.464 56.813 55.300 0.081 0.000 1.114 127 M CB -0.044 32.606 32.600 0.083 0.000 1.361 127 M HN 0.178 nan 8.290 nan 0.000 0.408 128 I N -0.793 119.891 120.570 0.191 0.000 2.429 128 I HA -0.034 4.136 4.170 -0.000 0.000 0.247 128 I C 0.737 176.994 176.117 0.233 0.000 1.099 128 I CA 0.322 61.785 61.300 0.272 0.000 1.422 128 I CB 0.326 38.559 38.000 0.389 0.000 1.112 128 I HN 0.051 nan 8.210 nan 0.000 0.430 129 I N 2.463 123.165 120.570 0.219 0.000 2.325 129 I HA 0.086 4.256 4.170 -0.000 0.000 0.291 129 I C -0.395 175.767 176.117 0.076 0.000 1.019 129 I CA -0.151 61.242 61.300 0.156 0.000 1.302 129 I CB 0.363 38.463 38.000 0.166 0.000 1.401 129 I HN 0.177 nan 8.210 nan 0.000 0.485 130 N N 8.116 126.839 118.700 0.037 0.000 2.473 130 N HA 0.386 5.126 4.740 -0.000 0.000 0.291 130 N C -2.519 172.986 175.510 -0.008 0.000 1.083 130 N CA -1.536 51.520 53.050 0.009 0.000 0.951 130 N CB 1.247 39.732 38.487 -0.002 0.000 1.164 130 N HN 0.198 nan 8.380 nan 0.000 0.480 131 P HA 0.056 nan 4.420 nan 0.000 0.265 131 P C 0.897 178.182 177.300 -0.026 0.000 1.193 131 P CA 0.607 63.692 63.100 -0.025 0.000 0.765 131 P CB 0.365 32.049 31.700 -0.027 0.000 0.823 132 G N 1.539 110.321 108.800 -0.031 0.000 2.225 132 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.254 132 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.254 132 G C 0.076 174.956 174.900 -0.034 0.000 0.988 132 G CA -0.144 44.940 45.100 -0.027 0.000 0.625 132 G HN 0.512 nan 8.290 nan 0.000 0.527 133 D N 1.033 121.404 120.400 -0.047 0.000 2.361 133 D HA 0.308 4.948 4.640 -0.000 0.000 0.239 133 D C 0.445 176.683 176.300 -0.103 0.000 1.200 133 D CA 0.132 54.089 54.000 -0.072 0.000 0.915 133 D CB 0.301 41.056 40.800 -0.075 0.000 1.170 133 D HN 0.261 nan 8.370 nan 0.000 0.444 134 N N 0.194 118.812 118.700 -0.138 0.000 2.408 134 N HA 0.336 5.076 4.740 -0.000 0.000 0.280 134 N C -0.593 174.726 175.510 -0.319 0.000 1.002 134 N CA -0.461 52.490 53.050 -0.165 0.000 0.907 134 N CB 1.950 40.387 38.487 -0.083 0.000 1.161 134 N HN 0.173 nan 8.380 nan 0.000 0.488 135 V N -0.110 119.582 119.914 -0.370 0.000 2.769 135 V HA 0.663 4.783 4.120 -0.000 0.000 0.312 135 V C -0.396 175.470 176.094 -0.379 0.000 1.061 135 V CA -0.988 60.954 62.300 -0.596 0.000 0.931 135 V CB 1.731 32.957 31.823 -0.995 0.000 1.010 135 V HN 0.372 nan 8.190 nan 0.000 0.433 136 L N 5.045 126.037 121.223 -0.385 0.000 2.307 136 L HA 0.865 5.205 4.340 -0.000 0.000 0.284 136 L C -0.436 176.409 176.870 -0.041 0.000 1.023 136 L CA -0.436 54.274 54.840 -0.215 0.000 0.810 136 L CB 1.449 43.318 42.059 -0.317 0.000 1.231 136 L HN 0.845 nan 8.230 nan 0.000 0.423 137 L N 0.130 121.363 121.223 0.017 0.000 2.801 137 L HA 0.679 5.019 4.340 -0.000 0.000 0.264 137 L C -1.642 175.271 176.870 0.072 0.000 1.086 137 L CA -0.833 54.077 54.840 0.116 0.000 0.920 137 L CB 1.521 43.742 42.059 0.270 0.000 1.529 137 L HN 0.488 nan 8.230 nan 0.000 0.399 138 D N -0.889 119.560 120.400 0.081 0.000 2.344 138 D HA 0.314 4.954 4.640 -0.000 0.000 0.239 138 D C -0.905 175.400 176.300 0.009 0.000 1.064 138 D CA -0.284 53.739 54.000 0.039 0.000 0.829 138 D CB 1.782 42.596 40.800 0.022 0.000 1.129 138 D HN 0.725 nan 8.370 nan 0.000 0.506 139 E N 2.289 122.491 120.200 0.003 0.000 2.354 139 E HA 0.244 4.594 4.350 -0.000 0.000 0.269 139 E C -2.203 174.319 176.600 -0.130 0.000 1.036 139 E CA -1.630 54.716 56.400 -0.089 0.000 0.876 139 E CB 0.617 30.354 29.700 0.061 0.000 1.009 139 E HN 0.282 nan 8.360 nan 0.000 0.416 140 P HA 0.051 nan 4.420 nan 0.000 0.271 140 P C -1.256 175.828 177.300 -0.361 0.000 1.216 140 P CA 0.193 62.905 63.100 -0.647 0.000 0.771 140 P CB 0.920 32.095 31.700 -0.875 0.000 0.864 141 A N 3.281 125.978 122.820 -0.205 0.000 2.387 141 A HA 0.550 4.870 4.320 -0.000 0.000 0.303 141 A C -1.347 176.342 177.584 0.175 0.000 1.145 141 A CA -0.780 51.269 52.037 0.020 0.000 0.801 141 A CB 0.655 19.716 19.000 0.101 0.000 1.342 141 A HN 0.551 nan 8.150 nan 0.000 0.440 142 Y N 1.536 121.927 120.300 0.151 0.000 2.377 142 Y HA 0.284 4.834 4.550 -0.000 0.000 0.330 142 Y C 1.637 177.626 175.900 0.148 0.000 1.108 142 Y CA 0.483 58.715 58.100 0.220 0.000 1.308 142 Y CB 0.944 39.525 38.460 0.203 0.000 1.216 142 Y HN 0.896 nan 8.280 nan 0.000 0.518 143 S N 3.229 118.787 115.700 -0.236 0.000 2.378 143 S HA -0.313 4.157 4.470 -0.000 0.000 0.229 143 S C 2.010 176.245 174.600 -0.609 0.000 1.052 143 S CA 1.619 59.521 58.200 -0.496 0.000 1.084 143 S CB -1.548 61.317 63.200 -0.559 0.000 0.950 143 S HN 1.005 nan 8.310 nan 0.000 0.440 144 G N 0.836 108.957 108.800 -1.132 0.000 2.432 144 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.219 144 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.219 144 G C 1.444 176.145 174.900 -0.333 0.000 1.135 144 G CA 1.309 46.016 45.100 -0.656 0.000 0.767 144 G HN 0.577 nan 8.290 nan 0.000 0.550 145 T N 1.196 115.553 114.554 -0.330 0.000 2.821 145 T HA 0.029 4.378 4.350 -0.000 0.000 0.267 145 T C 2.374 176.973 174.700 -0.168 0.000 1.046 145 T CA 0.549 62.591 62.100 -0.097 0.000 1.139 145 T CB -0.108 68.689 68.868 -0.118 0.000 0.871 145 T HN 0.145 nan 8.240 nan 0.000 0.454 146 L N 0.712 121.826 121.223 -0.183 0.000 2.027 146 L HA -0.065 4.275 4.340 -0.000 0.000 0.206 146 L C 2.832 179.648 176.870 -0.090 0.000 1.074 146 L CA 1.086 55.843 54.840 -0.138 0.000 0.745 146 L CB -0.494 41.487 42.059 -0.131 0.000 0.898 146 L HN 0.195 nan 8.230 nan 0.000 0.433 147 Q N -1.039 118.696 119.800 -0.109 0.000 2.436 147 Q HA -0.094 4.246 4.340 -0.000 0.000 0.209 147 Q C 2.260 178.276 176.000 0.028 0.000 0.965 147 Q CA 0.870 56.648 55.803 -0.041 0.000 0.910 147 Q CB 0.066 28.755 28.738 -0.082 0.000 0.980 147 Q HN 0.330 nan 8.270 nan 0.000 0.491 148 S N 0.079 115.785 115.700 0.010 0.000 2.371 148 S HA 0.080 4.550 4.470 -0.000 0.000 0.221 148 S C 1.902 176.528 174.600 0.043 0.000 1.036 148 S CA 0.134 58.382 58.200 0.080 0.000 0.965 148 S CB 0.078 63.397 63.200 0.198 0.000 0.845 148 S HN 0.258 nan 8.310 nan 0.000 0.475 149 L N 1.309 122.464 121.223 -0.114 0.000 2.056 149 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 149 L C 2.550 179.379 176.870 -0.068 0.000 1.078 149 L CA 1.699 56.408 54.840 -0.218 0.000 0.749 149 L CB -0.951 40.886 42.059 -0.370 0.000 0.901 149 L HN 0.570 nan 8.230 nan 0.000 0.433 150 H N 1.466 120.474 119.070 -0.104 0.000 2.267 150 H HA -0.192 4.364 4.556 -0.000 0.000 0.291 150 H C -0.709 174.593 175.328 -0.044 0.000 1.094 150 H CA 2.370 58.377 56.048 -0.068 0.000 1.227 150 H CB -0.841 28.886 29.762 -0.057 0.000 1.351 150 H HN 0.221 nan 8.280 nan 0.000 0.483 151 P HA 0.004 nan 4.420 nan 0.000 0.245 151 P C 1.513 178.714 177.300 -0.165 0.000 1.206 151 P CA 0.305 63.206 63.100 -0.332 0.000 0.781 151 P CB -0.041 31.575 31.700 -0.140 0.000 0.994 152 L N -0.127 121.040 121.223 -0.094 0.000 2.465 152 L HA 0.191 4.531 4.340 -0.000 0.000 0.224 152 L C 1.660 178.491 176.870 -0.065 0.000 1.145 152 L CA 1.530 56.343 54.840 -0.045 0.000 0.834 152 L CB -1.353 40.710 42.059 0.006 0.000 0.944 152 L HN 0.167 nan 8.230 nan 0.000 0.451 153 G N -1.062 107.674 108.800 -0.107 0.000 2.176 153 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.252 153 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.252 153 G C 0.485 175.348 174.900 -0.063 0.000 1.024 153 G CA 0.210 45.258 45.100 -0.088 0.000 0.755 153 G HN 0.507 nan 8.290 nan 0.000 0.507 154 C N -0.691 118.567 119.300 -0.070 0.000 2.520 154 C HA 0.742 5.202 4.460 -0.000 0.000 0.376 154 C C 0.540 175.488 174.990 -0.072 0.000 1.268 154 C CA -1.778 57.191 59.018 -0.081 0.000 2.414 154 C CB 0.910 28.578 27.740 -0.121 0.000 2.521 154 C HN 0.448 nan 8.230 nan 0.000 0.618 155 N N 1.729 120.386 118.700 -0.072 0.000 2.414 155 N HA 0.384 5.124 4.740 -0.000 0.000 0.256 155 N C -0.416 175.043 175.510 -0.086 0.000 1.029 155 N CA -0.001 53.015 53.050 -0.055 0.000 0.948 155 N CB 0.908 39.375 38.487 -0.032 0.000 1.102 155 N HN 0.660 nan 8.380 nan 0.000 0.496 156 I N 3.098 123.625 120.570 -0.072 0.000 2.441 156 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 156 I C 0.310 176.394 176.117 -0.056 0.000 1.049 156 I CA -0.382 60.867 61.300 -0.085 0.000 1.381 156 I CB 0.522 38.485 38.000 -0.061 0.000 1.409 156 I HN 0.223 nan 8.210 nan 0.000 0.523 157 I N 5.743 126.271 120.570 -0.070 0.000 2.355 157 I HA 0.221 4.391 4.170 -0.000 0.000 0.288 157 I C 0.056 176.157 176.117 -0.026 0.000 0.999 157 I CA -0.569 60.707 61.300 -0.040 0.000 1.163 157 I CB 1.259 39.239 38.000 -0.033 0.000 1.316 157 I HN 0.510 nan 8.210 nan 0.000 0.454 158 N N 5.980 124.681 118.700 0.002 0.000 2.520 158 N HA 0.293 5.033 4.740 -0.000 0.000 0.273 158 N C -1.053 174.469 175.510 0.021 0.000 1.155 158 N CA -0.100 52.965 53.050 0.026 0.000 0.967 158 N CB 1.223 39.744 38.487 0.055 0.000 1.092 158 N HN 0.311 nan 8.380 nan 0.000 0.457 159 V N 2.293 122.223 119.914 0.026 0.000 2.483 159 V HA 0.609 4.728 4.120 -0.000 0.000 0.295 159 V C 0.489 176.608 176.094 0.043 0.000 1.035 159 V CA -1.246 61.070 62.300 0.026 0.000 0.896 159 V CB 1.003 32.839 31.823 0.023 0.000 0.986 159 V HN 0.888 nan 8.190 nan 0.000 0.447 160 A N 4.180 127.028 122.820 0.046 0.000 2.531 160 A HA 0.537 4.857 4.320 -0.000 0.000 0.236 160 A C 0.606 178.222 177.584 0.053 0.000 1.062 160 A CA 0.406 52.478 52.037 0.059 0.000 0.760 160 A CB 0.017 19.052 19.000 0.058 0.000 0.995 160 A HN 1.201 nan 8.150 nan 0.000 0.501 161 S N 1.041 116.774 115.700 0.056 0.000 2.634 161 S HA 0.849 5.319 4.470 -0.000 0.000 0.296 161 S C -0.756 173.869 174.600 0.042 0.000 1.104 161 S CA -0.098 58.122 58.200 0.035 0.000 0.920 161 S CB 2.033 65.238 63.200 0.008 0.000 1.111 161 S HN 0.938 nan 8.310 nan 0.000 0.493 162 D N -1.022 119.383 120.400 0.009 0.000 3.344 162 D HA 0.206 4.845 4.640 -0.000 0.000 0.308 162 D C 0.809 177.037 176.300 -0.119 0.000 1.356 162 D CA -0.323 53.670 54.000 -0.012 0.000 0.998 162 D CB -0.487 40.318 40.800 0.008 0.000 1.370 162 D HN 0.593 nan 8.370 nan 0.000 0.610 163 E N -0.240 119.785 120.200 -0.292 0.000 2.265 163 E HA -0.089 4.261 4.350 -0.000 0.000 0.196 163 E C 0.539 177.033 176.600 -0.177 0.000 0.996 163 E CA 1.060 57.193 56.400 -0.445 0.000 0.832 163 E CB -0.293 28.965 29.700 -0.738 0.000 0.756 163 E HN 0.162 nan 8.360 nan 0.000 0.491 164 S N 0.435 116.074 115.700 -0.101 0.000 2.583 164 S HA 0.368 4.838 4.470 -0.000 0.000 0.239 164 S C 0.611 175.193 174.600 -0.030 0.000 0.966 164 S CA 0.058 58.228 58.200 -0.049 0.000 0.973 164 S CB 0.619 63.803 63.200 -0.027 0.000 0.794 164 S HN 0.665 nan 8.310 nan 0.000 0.463 165 G N 2.142 110.920 108.800 -0.037 0.000 2.525 165 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 165 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 165 G C -0.219 174.687 174.900 0.010 0.000 1.238 165 G CA -0.593 44.497 45.100 -0.016 0.000 0.926 165 G HN 0.403 nan 8.290 nan 0.000 0.574 166 I N 0.821 121.414 120.570 0.037 0.000 2.741 166 I HA 0.160 4.330 4.170 -0.000 0.000 0.288 166 I C 1.015 177.167 176.117 0.058 0.000 1.192 166 I CA 0.046 61.380 61.300 0.056 0.000 1.426 166 I CB 0.710 38.763 38.000 0.089 0.000 1.367 166 I HN 0.366 nan 8.210 nan 0.000 0.563 167 V N 9.957 129.902 119.914 0.052 0.000 2.405 167 V HA 0.066 4.186 4.120 -0.000 0.000 0.264 167 V C -1.346 174.787 176.094 0.064 0.000 1.048 167 V CA -0.970 61.361 62.300 0.052 0.000 0.966 167 V CB 0.797 32.648 31.823 0.046 0.000 1.015 167 V HN 0.688 nan 8.190 nan 0.000 0.477 168 P HA -0.081 nan 4.420 nan 0.000 0.218 168 P C 1.024 178.373 177.300 0.081 0.000 1.149 168 P CA 0.904 64.060 63.100 0.093 0.000 0.817 168 P CB 0.317 32.077 31.700 0.100 0.000 0.785 169 D N -0.993 119.447 120.400 0.067 0.000 2.178 169 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 169 D C 2.062 178.391 176.300 0.049 0.000 0.980 169 D CA 1.250 55.285 54.000 0.058 0.000 0.842 169 D CB -0.757 40.072 40.800 0.049 0.000 0.948 169 D HN 0.112 nan 8.370 nan 0.000 0.472 170 S N -0.419 115.308 115.700 0.046 0.000 2.428 170 S HA -0.077 4.393 4.470 -0.000 0.000 0.230 170 S C 1.724 176.341 174.600 0.028 0.000 1.014 170 S CA 0.200 58.421 58.200 0.034 0.000 0.957 170 S CB -0.067 63.155 63.200 0.037 0.000 0.784 170 S HN 0.112 nan 8.310 nan 0.000 0.499 171 L N 1.983 123.232 121.223 0.043 0.000 2.023 171 L HA 0.222 4.562 4.340 -0.000 0.000 0.205 171 L C 2.428 179.316 176.870 0.029 0.000 1.073 171 L CA 1.894 56.757 54.840 0.038 0.000 0.745 171 L CB -1.042 41.066 42.059 0.081 0.000 0.900 171 L HN 0.249 nan 8.230 nan 0.000 0.435 172 R N -0.309 120.229 120.500 0.064 0.000 2.115 172 R HA -0.225 4.115 4.340 -0.000 0.000 0.239 172 R C 1.902 178.229 176.300 0.045 0.000 1.133 172 R CA 2.342 58.490 56.100 0.080 0.000 0.935 172 R CB -0.438 29.925 30.300 0.105 0.000 0.853 172 R HN 0.441 nan 8.270 nan 0.000 0.433 173 D N -0.062 120.358 120.400 0.032 0.000 2.182 173 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 173 D C 1.831 178.116 176.300 -0.025 0.000 0.986 173 D CA 1.148 55.155 54.000 0.011 0.000 0.847 173 D CB -0.097 40.709 40.800 0.010 0.000 0.942 173 D HN 0.375 nan 8.370 nan 0.000 0.467 174 I N 0.084 120.636 120.570 -0.030 0.000 2.286 174 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 174 I C 2.079 178.152 176.117 -0.073 0.000 1.104 174 I CA 0.645 61.909 61.300 -0.059 0.000 1.397 174 I CB 0.037 38.015 38.000 -0.036 0.000 1.072 174 I HN -0.028 nan 8.210 nan 0.000 0.417 175 L N 0.192 121.379 121.223 -0.059 0.000 2.291 175 L HA -0.107 4.233 4.340 -0.000 0.000 0.214 175 L C 2.595 179.480 176.870 0.025 0.000 1.120 175 L CA 0.916 55.700 54.840 -0.094 0.000 0.799 175 L CB -0.498 41.168 42.059 -0.655 0.000 0.925 175 L HN 0.313 nan 8.230 nan 0.000 0.446 176 S N -0.404 115.312 115.700 0.026 0.000 2.469 176 S HA -0.233 4.237 4.470 -0.000 0.000 0.238 176 S C 1.981 176.556 174.600 -0.042 0.000 0.998 176 S CA 0.582 58.831 58.200 0.081 0.000 0.957 176 S CB -0.513 62.715 63.200 0.047 0.000 0.764 176 S HN 0.379 nan 8.310 nan 0.000 0.514 177 R N -0.083 120.261 120.500 -0.260 0.000 2.198 177 R HA -0.113 4.227 4.340 -0.000 0.000 0.258 177 R C 0.032 175.980 176.300 -0.587 0.000 1.173 177 R CA 1.492 57.207 56.100 -0.642 0.000 0.991 177 R CB 0.005 29.483 30.300 -1.369 0.000 0.879 177 R HN 0.539 nan 8.270 nan 0.000 0.460 178 W N -0.171 121.176 121.300 0.079 0.000 2.850 178 W HA 0.384 5.044 4.660 -0.000 0.000 0.349 178 W C -0.255 176.386 176.519 0.203 0.000 1.133 178 W CA -0.867 56.560 57.345 0.137 0.000 1.117 178 W CB 0.755 30.317 29.460 0.169 0.000 1.442 178 W HN -0.232 nan 8.180 nan 0.000 0.575 179 K N 0.851 121.482 120.400 0.385 0.000 2.098 179 K HA 0.225 4.545 4.320 -0.000 0.000 0.258 179 K C -1.589 175.125 176.600 0.191 0.000 0.973 179 K CA -1.416 55.005 56.287 0.224 0.000 0.898 179 K CB 1.369 33.944 32.500 0.125 0.000 1.057 179 K HN -0.117 nan 8.250 nan 0.000 0.447 180 P HA -0.279 nan 4.420 nan 0.000 0.215 180 P C 0.646 177.906 177.300 -0.066 0.000 1.157 180 P CA 1.542 64.501 63.100 -0.235 0.000 0.874 180 P CB 0.076 31.590 31.700 -0.311 0.000 0.790 181 E N -0.583 119.601 120.200 -0.026 0.000 2.267 181 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 181 E C 1.135 177.743 176.600 0.013 0.000 0.998 181 E CA 1.199 57.594 56.400 -0.008 0.000 0.830 181 E CB -0.995 28.706 29.700 0.001 0.000 0.751 181 E HN 0.224 nan 8.360 nan 0.000 0.491 182 D N 1.203 121.635 120.400 0.055 0.000 2.219 182 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 182 D C 1.938 178.227 176.300 -0.018 0.000 0.970 182 D CA 1.317 55.356 54.000 0.064 0.000 0.851 182 D CB -0.216 40.698 40.800 0.191 0.000 0.943 182 D HN 0.384 nan 8.370 nan 0.000 0.488 183 A N 0.713 123.519 122.820 -0.023 0.000 1.933 183 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 183 A C 1.983 179.524 177.584 -0.071 0.000 1.175 183 A CA 1.200 53.204 52.037 -0.055 0.000 0.628 183 A CB -0.316 18.680 19.000 -0.007 0.000 0.814 183 A HN 0.102 nan 8.150 nan 0.000 0.444 184 K N -0.584 119.785 120.400 -0.052 0.000 2.525 184 K HA -0.001 4.319 4.320 -0.000 0.000 0.192 184 K C 0.202 176.769 176.600 -0.054 0.000 1.029 184 K CA 0.186 56.439 56.287 -0.056 0.000 1.029 184 K CB -0.210 32.265 32.500 -0.041 0.000 0.814 184 K HN 0.580 nan 8.250 nan 0.000 0.503 185 N N 0.852 119.523 118.700 -0.049 0.000 2.621 185 N HA 0.122 4.862 4.740 -0.000 0.000 0.237 185 N C -2.305 173.174 175.510 -0.051 0.000 0.997 185 N CA -1.964 51.066 53.050 -0.034 0.000 0.918 185 N CB 1.241 39.726 38.487 -0.004 0.000 1.122 185 N HN -0.217 nan 8.380 nan 0.000 0.510 186 P HA -0.166 nan 4.420 nan 0.000 0.218 186 P C 0.744 178.012 177.300 -0.054 0.000 1.148 186 P CA 1.106 64.159 63.100 -0.078 0.000 0.822 186 P CB 0.268 31.924 31.700 -0.073 0.000 0.784 187 Q N -0.850 118.935 119.800 -0.025 0.000 2.451 187 Q HA 0.006 4.346 4.340 -0.000 0.000 0.206 187 Q C 1.532 177.546 176.000 0.023 0.000 0.947 187 Q CA 0.729 56.529 55.803 -0.005 0.000 0.937 187 Q CB -0.143 28.596 28.738 0.001 0.000 1.025 187 Q HN 0.323 nan 8.270 nan 0.000 0.511 188 K N 0.824 121.242 120.400 0.030 0.000 2.217 188 K HA -0.043 4.277 4.320 -0.000 0.000 0.202 188 K C 0.438 177.119 176.600 0.135 0.000 1.051 188 K CA 0.290 56.641 56.287 0.107 0.000 0.952 188 K CB 0.117 32.691 32.500 0.124 0.000 0.736 188 K HN 0.128 nan 8.250 nan 0.000 0.453 189 N N 0.151 118.841 118.700 -0.016 0.000 2.926 189 N HA -0.113 4.627 4.740 -0.000 0.000 0.249 189 N C -1.200 174.144 175.510 -0.277 0.000 1.100 189 N CA 0.971 53.994 53.050 -0.045 0.000 0.777 189 N CB -1.763 36.788 38.487 0.107 0.000 1.112 189 N HN 0.296 nan 8.380 nan 0.000 0.552 190 T N -1.128 113.079 114.554 -0.579 0.000 2.923 190 T HA 0.203 4.553 4.350 -0.000 0.000 0.304 190 T C -2.189 172.134 174.700 -0.629 0.000 1.044 190 T CA -0.770 60.727 62.100 -1.005 0.000 1.141 190 T CB 0.504 68.979 68.868 -0.655 0.000 1.023 190 T HN -0.017 nan 8.240 nan 0.000 0.533 191 P HA 0.121 nan 4.420 nan 0.000 0.266 191 P C 0.502 177.657 177.300 -0.242 0.000 1.193 191 P CA -0.278 62.539 63.100 -0.470 0.000 0.770 191 P CB 0.502 31.834 31.700 -0.612 0.000 0.836 192 K N 1.935 122.223 120.400 -0.187 0.000 2.211 192 K HA 0.197 4.517 4.320 -0.000 0.000 0.201 192 K C 0.324 177.149 176.600 0.375 0.000 1.052 192 K CA 0.912 57.276 56.287 0.129 0.000 0.973 192 K CB -0.102 32.489 32.500 0.153 0.000 0.766 192 K HN 0.613 nan 8.250 nan 0.000 0.466 193 F N -2.744 117.269 119.950 0.105 0.000 2.725 193 F HA 0.372 4.899 4.527 -0.000 0.000 0.309 193 F C -1.614 174.168 175.800 -0.030 0.000 1.132 193 F CA -1.796 56.285 58.000 0.136 0.000 0.957 193 F CB 0.667 39.759 39.000 0.152 0.000 1.286 193 F HN -0.301 nan 8.300 nan 0.000 0.440 194 L N 3.902 125.304 121.223 0.299 0.000 2.259 194 L HA 0.447 4.787 4.340 -0.000 0.000 0.288 194 L C -1.138 175.945 176.870 0.356 0.000 1.051 194 L CA -0.533 54.423 54.840 0.192 0.000 0.824 194 L CB 0.395 42.538 42.059 0.141 0.000 1.206 194 L HN 0.709 nan 8.230 nan 0.000 0.429 195 Y N 4.659 125.170 120.300 0.351 0.000 2.393 195 Y HA 0.514 5.064 4.550 -0.000 0.000 0.338 195 Y C -0.069 175.928 175.900 0.162 0.000 1.029 195 Y CA 0.226 58.493 58.100 0.279 0.000 1.239 195 Y CB 0.808 39.487 38.460 0.365 0.000 1.170 195 Y HN 0.713 nan 8.280 nan 0.000 0.515 196 T N 5.536 119.777 114.554 -0.521 0.000 2.933 196 T HA 0.507 4.857 4.350 -0.000 0.000 0.305 196 T C -1.859 172.554 174.700 -0.478 0.000 1.092 196 T CA -0.707 61.152 62.100 -0.403 0.000 1.008 196 T CB 0.782 69.630 68.868 -0.033 0.000 1.102 196 T HN 0.391 nan 8.240 nan 0.000 0.469 197 V N 7.922 127.650 119.914 -0.309 0.000 2.318 197 V HA 0.359 4.479 4.120 -0.000 0.000 0.271 197 V C -1.319 174.753 176.094 -0.036 0.000 1.030 197 V CA -1.457 60.767 62.300 -0.126 0.000 0.844 197 V CB 1.225 33.026 31.823 -0.037 0.000 1.015 197 V HN 0.755 nan 8.190 nan 0.000 0.460 198 P HA 0.039 nan 4.420 nan 0.000 0.230 198 P C 0.130 177.422 177.300 -0.013 0.000 1.168 198 P CA 0.508 63.614 63.100 0.009 0.000 0.793 198 P CB 0.619 32.325 31.700 0.010 0.000 0.851 199 N N 0.295 119.000 118.700 0.008 0.000 2.342 199 N HA 0.283 5.023 4.740 -0.000 0.000 0.293 199 N C 0.225 175.732 175.510 -0.005 0.000 1.026 199 N CA -0.254 52.790 53.050 -0.009 0.000 0.857 199 N CB 1.476 39.958 38.487 -0.009 0.000 1.256 199 N HN -0.063 nan 8.380 nan 0.000 0.484 200 G N 2.128 110.883 108.800 -0.076 0.000 2.247 200 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.265 200 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.265 200 G C 0.293 175.083 174.900 -0.184 0.000 0.861 200 G CA 0.222 45.230 45.100 -0.153 0.000 1.289 200 G HN 0.798 nan 8.290 nan 0.000 0.403 201 N N 0.134 118.756 118.700 -0.130 0.000 2.353 201 N HA -0.029 4.711 4.740 -0.000 0.000 0.248 201 N C 0.323 175.703 175.510 -0.217 0.000 1.240 201 N CA -0.224 52.748 53.050 -0.130 0.000 0.862 201 N CB 0.207 38.589 38.487 -0.176 0.000 1.086 201 N HN 0.403 nan 8.380 nan 0.000 0.453 202 N N 3.035 121.653 118.700 -0.136 0.000 2.408 202 N HA 0.181 4.921 4.740 -0.000 0.000 0.257 202 N C -1.955 173.310 175.510 -0.408 0.000 1.064 202 N CA -1.984 50.904 53.050 -0.270 0.000 0.952 202 N CB 1.180 39.599 38.487 -0.113 0.000 1.093 202 N HN 0.434 nan 8.380 nan 0.000 0.490 203 P HA 0.099 nan 4.420 nan 0.000 0.272 203 P C 0.797 177.544 177.300 -0.921 0.000 1.276 203 P CA 0.339 62.730 63.100 -1.181 0.000 0.871 203 P CB 0.261 30.759 31.700 -2.003 0.000 1.313 204 T N -3.927 110.058 114.554 -0.948 0.000 2.904 204 T HA 0.109 4.459 4.350 -0.000 0.000 0.267 204 T C 1.786 176.402 174.700 -0.140 0.000 1.059 204 T CA 1.292 62.965 62.100 -0.712 0.000 1.137 204 T CB -1.520 67.013 68.868 -0.558 0.000 0.879 204 T HN 0.177 nan 8.240 nan 0.000 0.467 205 G N 1.712 110.425 108.800 -0.145 0.000 2.166 205 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 205 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 205 G C -0.085 174.821 174.900 0.010 0.000 0.986 205 G CA 0.270 45.356 45.100 -0.023 0.000 0.683 205 G HN 0.749 nan 8.290 nan 0.000 0.527 206 N N 0.171 118.851 118.700 -0.034 0.000 2.482 206 N HA 0.511 5.251 4.740 -0.000 0.000 0.260 206 N C -0.102 175.381 175.510 -0.046 0.000 1.236 206 N CA 0.437 53.469 53.050 -0.031 0.000 0.938 206 N CB 0.708 39.156 38.487 -0.066 0.000 1.128 206 N HN 0.180 nan 8.380 nan 0.000 0.448 207 S N 0.902 116.581 115.700 -0.034 0.000 2.526 207 S HA 0.351 4.821 4.470 -0.000 0.000 0.293 207 S C -0.154 174.424 174.600 -0.036 0.000 1.092 207 S CA -0.751 57.427 58.200 -0.038 0.000 0.980 207 S CB 1.215 64.391 63.200 -0.041 0.000 1.048 207 S HN 0.308 nan 8.310 nan 0.000 0.483 208 L N 2.481 123.682 121.223 -0.038 0.000 2.492 208 L HA 0.175 4.515 4.340 -0.000 0.000 0.280 208 L C 1.136 177.973 176.870 -0.055 0.000 1.240 208 L CA 0.160 54.975 54.840 -0.042 0.000 0.831 208 L CB 0.486 42.510 42.059 -0.058 0.000 1.100 208 L HN 0.810 nan 8.230 nan 0.000 0.505 209 T N -2.099 112.427 114.554 -0.048 0.000 2.937 209 T HA 0.156 4.506 4.350 -0.000 0.000 0.283 209 T C 0.871 175.530 174.700 -0.068 0.000 1.012 209 T CA -0.336 61.737 62.100 -0.044 0.000 0.997 209 T CB 1.623 70.478 68.868 -0.022 0.000 1.136 209 T HN 0.515 nan 8.240 nan 0.000 0.551 210 S N -0.175 115.494 115.700 -0.052 0.000 2.356 210 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 210 S C 1.843 176.417 174.600 -0.043 0.000 1.032 210 S CA 1.699 59.864 58.200 -0.058 0.000 1.005 210 S CB -0.798 62.385 63.200 -0.029 0.000 0.867 210 S HN 0.794 nan 8.310 nan 0.000 0.449 211 E N 0.824 121.014 120.200 -0.017 0.000 2.097 211 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 211 E C 2.387 178.997 176.600 0.016 0.000 1.000 211 E CA 1.249 57.651 56.400 0.003 0.000 0.804 211 E CB -0.118 29.588 29.700 0.010 0.000 0.740 211 E HN 0.392 nan 8.360 nan 0.000 0.454 212 R N 0.281 120.786 120.500 0.008 0.000 2.075 212 R HA 0.024 4.364 4.340 -0.000 0.000 0.226 212 R C 2.161 178.499 176.300 0.063 0.000 1.114 212 R CA 0.972 57.096 56.100 0.039 0.000 0.972 212 R CB -0.056 30.263 30.300 0.031 0.000 0.869 212 R HN 0.054 nan 8.270 nan 0.000 0.437 213 K N 0.645 121.020 120.400 -0.041 0.000 2.103 213 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 213 K C 2.081 178.750 176.600 0.114 0.000 1.048 213 K CA 1.252 57.448 56.287 -0.152 0.000 0.930 213 K CB -0.033 32.113 32.500 -0.591 0.000 0.716 213 K HN 0.037 nan 8.250 nan 0.000 0.444 214 K N 1.228 121.665 120.400 0.062 0.000 2.026 214 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 214 K C 1.848 178.562 176.600 0.189 0.000 1.048 214 K CA 1.510 57.865 56.287 0.112 0.000 0.929 214 K CB 0.109 32.634 32.500 0.041 0.000 0.713 214 K HN 0.198 nan 8.250 nan 0.000 0.439 215 E N 0.456 120.750 120.200 0.156 0.000 2.051 215 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 215 E C 2.110 178.835 176.600 0.208 0.000 0.991 215 E CA 1.214 57.711 56.400 0.162 0.000 0.799 215 E CB -0.161 29.615 29.700 0.126 0.000 0.748 215 E HN 0.317 nan 8.360 nan 0.000 0.449 216 I N 0.489 121.213 120.570 0.257 0.000 2.248 216 I HA -0.320 3.849 4.170 -0.000 0.000 0.248 216 I C 2.383 178.644 176.117 0.241 0.000 1.107 216 I CA 1.273 62.748 61.300 0.290 0.000 1.373 216 I CB -0.313 37.931 38.000 0.407 0.000 1.055 216 I HN 0.135 nan 8.210 nan 0.000 0.418 217 Y N 1.576 122.022 120.300 0.244 0.000 2.145 217 Y HA -0.321 4.229 4.550 -0.000 0.000 0.286 217 Y C 2.602 178.519 175.900 0.028 0.000 1.145 217 Y CA 1.932 60.108 58.100 0.128 0.000 1.148 217 Y CB -0.023 38.546 38.460 0.182 0.000 0.981 217 Y HN 0.053 nan 8.280 nan 0.000 0.507 218 E N 0.095 120.451 120.200 0.261 0.000 2.085 218 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 218 E C 2.007 178.655 176.600 0.080 0.000 0.994 218 E CA 1.153 57.649 56.400 0.159 0.000 0.801 218 E CB -0.578 29.214 29.700 0.152 0.000 0.743 218 E HN 0.354 nan 8.360 nan 0.000 0.453 219 L N 0.138 121.431 121.223 0.116 0.000 2.012 219 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 219 L C 2.265 179.134 176.870 -0.003 0.000 1.073 219 L CA 2.081 57.039 54.840 0.195 0.000 0.748 219 L CB -1.568 40.650 42.059 0.265 0.000 0.891 219 L HN 0.191 nan 8.230 nan 0.000 0.431 220 A N -0.117 122.430 122.820 -0.456 0.000 1.908 220 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 220 A C 2.445 179.531 177.584 -0.830 0.000 1.181 220 A CA 1.948 53.146 52.037 -1.398 0.000 0.627 220 A CB -0.547 17.703 19.000 -1.250 0.000 0.818 220 A HN 0.517 nan 8.150 nan 0.000 0.445 221 R N -0.274 119.932 120.500 -0.490 0.000 2.092 221 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 221 R C 2.031 178.238 176.300 -0.154 0.000 1.119 221 R CA 1.854 57.789 56.100 -0.274 0.000 0.970 221 R CB -0.371 29.854 30.300 -0.126 0.000 0.864 221 R HN 0.380 nan 8.270 nan 0.000 0.440 222 K N -0.975 119.365 120.400 -0.099 0.000 2.362 222 K HA -0.125 4.195 4.320 -0.000 0.000 0.200 222 K C 0.265 176.679 176.600 -0.310 0.000 1.046 222 K CA 1.100 57.285 56.287 -0.169 0.000 0.952 222 K CB 0.177 32.590 32.500 -0.143 0.000 0.753 222 K HN 0.342 nan 8.250 nan 0.000 0.466 223 Y N -0.870 119.396 120.300 -0.057 0.000 2.563 223 Y HA 0.096 4.646 4.550 -0.000 0.000 0.250 223 Y C -0.327 175.575 175.900 0.003 0.000 1.126 223 Y CA -0.737 57.386 58.100 0.039 0.000 1.231 223 Y CB 0.792 39.397 38.460 0.241 0.000 1.288 223 Y HN 0.012 nan 8.280 nan 0.000 0.537 224 D N 1.525 121.908 120.400 -0.029 0.000 2.704 224 D HA -0.240 4.400 4.640 -0.000 0.000 0.232 224 D C -0.587 175.801 176.300 0.146 0.000 1.183 224 D CA 0.817 54.803 54.000 -0.024 0.000 0.647 224 D CB -1.217 39.599 40.800 0.026 0.000 1.013 224 D HN 0.359 nan 8.370 nan 0.000 0.415 225 F N -1.690 118.308 119.950 0.080 0.000 2.450 225 F HA 0.641 5.168 4.527 0.000 0.000 0.328 225 F C 0.456 176.234 175.800 -0.036 0.000 1.068 225 F CA -1.504 56.570 58.000 0.122 0.000 1.007 225 F CB 0.608 39.637 39.000 0.049 0.000 1.251 225 F HN -0.154 nan 8.300 nan 0.000 0.492 226 L N 1.800 123.119 121.223 0.161 0.000 2.453 226 L HA 0.358 4.698 4.340 -0.000 0.000 0.261 226 L C -0.236 176.685 176.870 0.085 0.000 1.179 226 L CA -0.546 54.239 54.840 -0.091 0.000 0.813 226 L CB 0.912 42.848 42.059 -0.206 0.000 1.110 226 L HN 0.598 nan 8.230 nan 0.000 0.466 227 I N 2.658 123.164 120.570 -0.107 0.000 2.355 227 I HA 0.305 4.475 4.170 -0.000 0.000 0.288 227 I C -0.384 175.665 176.117 -0.113 0.000 0.999 227 I CA -0.252 60.956 61.300 -0.152 0.000 1.163 227 I CB 1.450 39.155 38.000 -0.492 0.000 1.316 227 I HN 0.367 nan 8.210 nan 0.000 0.454 228 I N 6.209 126.760 120.570 -0.032 0.000 2.291 228 I HA 0.208 4.378 4.170 -0.000 0.000 0.290 228 I C 0.369 176.447 176.117 -0.065 0.000 1.050 228 I CA -0.269 61.003 61.300 -0.047 0.000 1.245 228 I CB 0.732 38.730 38.000 -0.004 0.000 1.405 228 I HN 0.624 nan 8.210 nan 0.000 0.478 229 E N 6.107 126.265 120.200 -0.070 0.000 2.046 229 E HA 0.121 4.471 4.350 -0.000 0.000 0.279 229 E C -1.033 175.517 176.600 -0.082 0.000 0.989 229 E CA -0.622 55.757 56.400 -0.035 0.000 0.798 229 E CB 0.874 30.633 29.700 0.098 0.000 1.086 229 E HN 0.452 nan 8.360 nan 0.000 0.399 230 D N 4.112 124.429 120.400 -0.140 0.000 2.443 230 D HA 0.152 4.792 4.640 -0.000 0.000 0.221 230 D C -1.127 175.118 176.300 -0.092 0.000 1.097 230 D CA -0.391 53.552 54.000 -0.094 0.000 0.865 230 D CB 0.895 41.691 40.800 -0.007 0.000 1.034 230 D HN 0.283 nan 8.370 nan 0.000 0.511 231 D N 4.279 124.607 120.400 -0.118 0.000 2.886 231 D HA 0.195 4.834 4.640 -0.000 0.000 0.355 231 D C -1.905 174.306 176.300 -0.147 0.000 1.274 231 D CA -1.504 52.440 54.000 -0.093 0.000 0.836 231 D CB 1.277 42.023 40.800 -0.089 0.000 1.109 231 D HN 0.262 nan 8.370 nan 0.000 0.488 232 P HA 0.001 nan 4.420 nan 0.000 0.245 232 P C 0.468 177.461 177.300 -0.512 0.000 1.206 232 P CA 0.326 63.180 63.100 -0.409 0.000 0.781 232 P CB 0.073 31.421 31.700 -0.587 0.000 0.994 233 Y N -2.821 117.454 120.300 -0.041 0.000 2.555 233 Y HA 0.168 4.718 4.550 -0.000 0.000 0.259 233 Y C 2.130 177.960 175.900 -0.115 0.000 1.179 233 Y CA -0.715 57.333 58.100 -0.087 0.000 1.230 233 Y CB -0.551 37.822 38.460 -0.146 0.000 1.146 233 Y HN -0.163 nan 8.280 nan 0.000 0.526 234 Y N 0.049 120.250 120.300 -0.164 0.000 2.241 234 Y HA -0.286 4.264 4.550 -0.000 0.000 0.286 234 Y C 0.913 176.570 175.900 -0.405 0.000 1.166 234 Y CA 1.634 59.534 58.100 -0.334 0.000 1.203 234 Y CB -0.410 37.742 38.460 -0.512 0.000 0.977 234 Y HN 0.130 nan 8.280 nan 0.000 0.529 235 F N -1.387 118.559 119.950 -0.007 0.000 2.727 235 F HA 0.173 4.699 4.527 -0.000 0.000 0.302 235 F C 0.710 176.442 175.800 -0.112 0.000 1.097 235 F CA 0.006 57.959 58.000 -0.078 0.000 1.330 235 F CB -0.000 39.063 39.000 0.105 0.000 1.084 235 F HN -0.049 nan 8.300 nan 0.000 0.578 236 L N 0.553 121.772 121.223 -0.006 0.000 2.912 236 L HA 0.230 4.569 4.340 -0.000 0.000 0.240 236 L C 0.275 176.873 176.870 -0.453 0.000 1.262 236 L CA 0.080 54.832 54.840 -0.146 0.000 1.058 236 L CB -0.783 41.184 42.059 -0.153 0.000 1.383 236 L HN 0.047 nan 8.230 nan 0.000 0.512 237 Q N -1.008 118.568 119.800 -0.374 0.000 2.296 237 Q HA 0.156 4.496 4.340 -0.000 0.000 0.262 237 Q C 0.586 176.400 176.000 -0.309 0.000 0.981 237 Q CA 0.060 55.603 55.803 -0.433 0.000 0.905 237 Q CB 0.710 29.265 28.738 -0.306 0.000 1.186 237 Q HN 0.312 nan 8.270 nan 0.000 0.399 238 F N 0.035 119.996 119.950 0.018 0.000 2.234 238 F HA -0.075 4.452 4.527 -0.000 0.000 0.296 238 F C 1.392 177.205 175.800 0.023 0.000 1.089 238 F CA -0.176 57.842 58.000 0.029 0.000 1.343 238 F CB 0.178 39.195 39.000 0.029 0.000 1.040 238 F HN 0.527 nan 8.300 nan 0.000 0.498 239 N N 2.159 120.954 118.700 0.159 0.000 2.427 239 N HA -0.061 4.679 4.740 -0.000 0.000 0.269 239 N C 0.940 176.525 175.510 0.124 0.000 1.235 239 N CA 0.160 53.276 53.050 0.110 0.000 0.934 239 N CB 0.657 39.185 38.487 0.068 0.000 1.121 239 N HN 0.014 nan 8.380 nan 0.000 0.480 240 K N 2.602 123.109 120.400 0.179 0.000 2.173 240 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 240 K C 0.077 176.878 176.600 0.334 0.000 1.046 240 K CA 1.142 57.576 56.287 0.245 0.000 0.929 240 K CB -0.226 32.462 32.500 0.313 0.000 0.720 240 K HN 0.432 nan 8.250 nan 0.000 0.453 241 F N 1.852 121.791 119.950 -0.019 0.000 2.404 241 F HA 0.235 4.762 4.527 -0.000 0.000 0.358 241 F C 0.820 176.592 175.800 -0.046 0.000 1.120 241 F CA -0.872 57.114 58.000 -0.024 0.000 1.144 241 F CB 0.382 39.374 39.000 -0.013 0.000 1.133 241 F HN -0.271 nan 8.300 nan 0.000 0.495 242 R N 2.098 122.628 120.500 0.049 0.000 2.390 242 R HA 0.416 4.756 4.340 -0.000 0.000 0.291 242 R C -0.699 175.611 176.300 0.017 0.000 1.070 242 R CA -0.732 55.343 56.100 -0.042 0.000 1.014 242 R CB 1.099 31.300 30.300 -0.164 0.000 1.007 242 R HN 0.327 nan 8.270 nan 0.000 0.466 243 V N 5.780 125.691 119.914 -0.004 0.000 2.585 243 V HA 0.047 4.167 4.120 -0.000 0.000 0.296 243 V C -1.802 174.320 176.094 0.046 0.000 1.035 243 V CA -1.343 60.961 62.300 0.006 0.000 1.084 243 V CB 0.431 32.234 31.823 -0.033 0.000 0.953 243 V HN 0.652 nan 8.190 nan 0.000 0.483 244 P HA 0.038 nan 4.420 nan 0.000 0.264 244 P C 0.313 177.577 177.300 -0.060 0.000 1.179 244 P CA 0.385 63.495 63.100 0.017 0.000 0.763 244 P CB 0.169 31.851 31.700 -0.031 0.000 0.806 245 T N -0.715 113.790 114.554 -0.082 0.000 2.824 245 T HA 0.299 4.649 4.350 -0.000 0.000 0.277 245 T C 0.969 175.543 174.700 -0.210 0.000 0.975 245 T CA -0.349 61.629 62.100 -0.203 0.000 0.966 245 T CB 0.216 68.835 68.868 -0.415 0.000 1.054 245 T HN 0.140 nan 8.240 nan 0.000 0.533 246 F N -0.374 119.514 119.950 -0.103 0.000 2.293 246 F HA 0.052 4.579 4.527 -0.000 0.000 0.300 246 F C 2.135 177.887 175.800 -0.080 0.000 1.086 246 F CA 0.293 58.277 58.000 -0.027 0.000 1.375 246 F CB -0.212 38.806 39.000 0.031 0.000 1.045 246 F HN 0.350 nan 8.300 nan 0.000 0.516 247 L N 0.307 121.501 121.223 -0.049 0.000 2.072 247 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 247 L C 2.582 179.365 176.870 -0.144 0.000 1.079 247 L CA 1.952 56.713 54.840 -0.131 0.000 0.752 247 L CB -1.063 40.822 42.059 -0.290 0.000 0.906 247 L HN 0.111 nan 8.230 nan 0.000 0.436 248 S N -0.326 115.259 115.700 -0.192 0.000 2.493 248 S HA -0.226 4.244 4.470 -0.000 0.000 0.243 248 S C 1.496 176.021 174.600 -0.125 0.000 0.991 248 S CA 1.384 59.517 58.200 -0.112 0.000 0.957 248 S CB -0.798 62.368 63.200 -0.057 0.000 0.756 248 S HN 0.699 nan 8.310 nan 0.000 0.521 249 M N -0.688 118.816 119.600 -0.160 0.000 2.414 249 M HA 0.469 4.949 4.480 -0.000 0.000 0.357 249 M C -0.289 175.677 176.300 -0.557 0.000 1.059 249 M CA -0.297 54.812 55.300 -0.318 0.000 0.959 249 M CB 0.177 32.580 32.600 -0.329 0.000 1.522 249 M HN -0.028 nan 8.290 nan 0.000 0.551 250 D N 2.129 122.413 120.400 -0.192 0.000 2.631 250 D HA 0.114 4.754 4.640 -0.000 0.000 0.227 250 D C 1.114 177.447 176.300 0.055 0.000 1.146 250 D CA -0.131 53.911 54.000 0.070 0.000 1.009 250 D CB 0.924 41.827 40.800 0.172 0.000 1.057 250 D HN 0.193 nan 8.370 nan 0.000 0.509 251 V N 2.037 121.959 119.914 0.013 0.000 2.970 251 V HA -0.092 4.028 4.120 -0.000 0.000 0.260 251 V C 1.000 177.262 176.094 0.281 0.000 1.100 251 V CA 1.534 63.905 62.300 0.118 0.000 1.122 251 V CB -0.062 31.798 31.823 0.062 0.000 0.721 251 V HN 0.308 nan 8.190 nan 0.000 0.483 252 D N 0.962 121.537 120.400 0.291 0.000 2.289 252 D HA 0.148 4.788 4.640 -0.000 0.000 0.207 252 D C 1.631 178.066 176.300 0.225 0.000 0.966 252 D CA 1.174 55.312 54.000 0.232 0.000 0.868 252 D CB 0.000 40.895 40.800 0.159 0.000 0.943 252 D HN 0.687 nan 8.370 nan 0.000 0.514 253 G N 2.036 110.979 108.800 0.238 0.000 2.289 253 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.280 253 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.280 253 G C 0.683 175.685 174.900 0.169 0.000 1.089 253 G CA 0.485 45.727 45.100 0.237 0.000 0.939 253 G HN 0.497 nan 8.290 nan 0.000 0.499 254 R N -1.628 118.909 120.500 0.062 0.000 2.508 254 R HA 0.520 4.860 4.340 -0.000 0.000 0.300 254 R C -0.082 176.145 176.300 -0.121 0.000 0.970 254 R CA -0.151 55.891 56.100 -0.097 0.000 1.102 254 R CB 0.741 30.901 30.300 -0.233 0.000 1.246 254 R HN 0.313 nan 8.270 nan 0.000 0.539 255 V N 2.687 122.582 119.914 -0.031 0.000 2.384 255 V HA 0.401 4.521 4.120 -0.000 0.000 0.287 255 V C -0.162 175.900 176.094 -0.054 0.000 1.020 255 V CA -0.740 61.534 62.300 -0.045 0.000 0.850 255 V CB 1.768 33.615 31.823 0.040 0.000 0.987 255 V HN 0.216 nan 8.190 nan 0.000 0.436 256 I N 5.131 125.651 120.570 -0.083 0.000 2.307 256 I HA 0.470 4.640 4.170 -0.000 0.000 0.289 256 I C 0.402 176.466 176.117 -0.088 0.000 1.021 256 I CA -0.397 60.850 61.300 -0.087 0.000 1.224 256 I CB 0.970 38.903 38.000 -0.112 0.000 1.376 256 I HN 0.521 nan 8.210 nan 0.000 0.470 257 R N 5.084 125.532 120.500 -0.087 0.000 2.265 257 R HA 0.627 4.967 4.340 -0.000 0.000 0.314 257 R C -0.456 175.763 176.300 -0.134 0.000 1.053 257 R CA -0.286 55.747 56.100 -0.112 0.000 0.931 257 R CB 1.056 31.279 30.300 -0.128 0.000 1.024 257 R HN 0.777 nan 8.270 nan 0.000 0.457 258 A N 4.152 126.877 122.820 -0.158 0.000 2.305 258 A HA 0.380 4.700 4.320 -0.000 0.000 0.322 258 A C -0.979 176.416 177.584 -0.315 0.000 1.187 258 A CA -0.579 51.330 52.037 -0.215 0.000 0.825 258 A CB 0.940 19.842 19.000 -0.162 0.000 1.164 258 A HN 0.748 nan 8.150 nan 0.000 0.498 259 D N 0.430 120.506 120.400 -0.541 0.000 2.671 259 D HA 0.599 5.239 4.640 -0.000 0.000 0.232 259 D C -1.158 174.612 176.300 -0.885 0.000 1.114 259 D CA 0.047 53.567 54.000 -0.799 0.000 0.858 259 D CB 2.304 42.179 40.800 -1.542 0.000 1.544 259 D HN 0.409 nan 8.370 nan 0.000 0.471 260 S N 1.103 116.471 115.700 -0.554 0.000 2.536 260 S HA 0.436 4.906 4.470 -0.000 0.000 0.287 260 S C -0.341 174.220 174.600 -0.065 0.000 1.101 260 S CA -0.467 57.540 58.200 -0.322 0.000 0.950 260 S CB 0.622 63.694 63.200 -0.214 0.000 1.056 260 S HN 0.266 nan 8.310 nan 0.000 0.481 261 F N 1.613 121.625 119.950 0.103 0.000 2.721 261 F HA 0.375 4.902 4.527 -0.000 0.000 0.301 261 F C 1.627 177.502 175.800 0.125 0.000 1.096 261 F CA -0.395 57.709 58.000 0.174 0.000 1.308 261 F CB -0.461 38.651 39.000 0.188 0.000 1.086 261 F HN 0.378 nan 8.300 nan 0.000 0.587 265 I N -1.752 118.971 120.570 0.255 0.000 4.244 265 I HA 0.471 4.641 4.170 -0.000 0.000 0.318 265 I C 0.212 176.368 176.117 0.064 0.000 1.282 265 I CA 0.522 61.883 61.300 0.102 0.000 1.276 265 I CB 1.574 39.504 38.000 -0.117 0.000 1.183 265 I HN 0.177 nan 8.210 nan 0.000 0.431 266 S N -0.276 115.496 115.700 0.120 0.000 2.606 266 S HA 0.255 4.725 4.470 -0.000 0.000 0.290 266 S C 0.434 175.112 174.600 0.130 0.000 1.103 266 S CA 0.105 58.365 58.200 0.100 0.000 0.870 266 S CB 1.181 64.415 63.200 0.057 0.000 1.077 266 S HN 0.412 nan 8.310 nan 0.000 0.448 267 S N 2.481 118.244 115.700 0.105 0.000 2.421 267 S HA 0.151 4.621 4.470 -0.000 0.000 0.224 267 S C 1.856 176.502 174.600 0.076 0.000 1.035 267 S CA 0.837 59.093 58.200 0.093 0.000 0.953 267 S CB -0.562 62.691 63.200 0.088 0.000 0.810 267 S HN 0.985 nan 8.310 nan 0.000 0.497 268 G N 1.464 110.301 108.800 0.061 0.000 2.551 268 G HA2 0.172 4.132 3.960 -0.000 0.000 0.216 268 G HA3 0.172 4.132 3.960 -0.000 0.000 0.216 268 G C 1.324 176.247 174.900 0.038 0.000 1.137 268 G CA 0.116 45.241 45.100 0.042 0.000 0.798 268 G HN 0.450 nan 8.290 nan 0.000 0.536 269 L N -0.915 120.339 121.223 0.051 0.000 2.376 269 L HA 0.122 4.462 4.340 -0.000 0.000 0.219 269 L C 0.773 177.686 176.870 0.072 0.000 1.133 269 L CA -0.081 54.792 54.840 0.055 0.000 0.816 269 L CB -0.029 42.063 42.059 0.056 0.000 0.933 269 L HN 0.065 nan 8.230 nan 0.000 0.449 270 R N 0.867 121.416 120.500 0.081 0.000 3.144 270 R HA -0.114 4.226 4.340 -0.000 0.000 0.255 270 R C -1.156 175.209 176.300 0.108 0.000 0.949 270 R CA 0.498 56.646 56.100 0.079 0.000 0.649 270 R CB -2.195 28.134 30.300 0.049 0.000 1.229 270 R HN 0.151 nan 8.270 nan 0.000 0.440 271 I N -0.093 120.574 120.570 0.162 0.000 2.563 271 I HA 0.438 4.608 4.170 -0.000 0.000 0.281 271 I C 0.991 177.286 176.117 0.297 0.000 1.110 271 I CA -0.230 61.206 61.300 0.227 0.000 1.073 271 I CB 1.740 39.895 38.000 0.258 0.000 1.215 271 I HN 0.352 nan 8.210 nan 0.000 0.460 272 G N 5.236 114.135 108.800 0.165 0.000 3.042 272 G HA2 0.894 4.854 3.960 -0.000 0.000 0.278 272 G HA3 0.894 4.854 3.960 -0.000 0.000 0.278 272 G C -1.464 173.520 174.900 0.140 0.000 1.371 272 G CA -0.513 44.597 45.100 0.017 0.000 1.009 272 G HN 0.365 nan 8.290 nan 0.000 0.523 273 F N -2.312 117.550 119.950 -0.147 0.000 2.668 273 F HA 0.802 5.329 4.527 -0.000 0.000 0.309 273 F C -1.628 174.114 175.800 -0.096 0.000 1.117 273 F CA -1.535 56.403 58.000 -0.103 0.000 0.951 273 F CB 1.772 40.712 39.000 -0.101 0.000 1.323 273 F HN 0.486 nan 8.300 nan 0.000 0.451 274 L N 1.526 122.819 121.223 0.117 0.000 2.365 274 L HA 0.826 5.166 4.340 -0.000 0.000 0.273 274 L C -0.799 176.109 176.870 0.063 0.000 1.000 274 L CA -0.054 54.795 54.840 0.016 0.000 0.819 274 L CB 2.310 44.355 42.059 -0.023 0.000 1.284 274 L HN 0.866 nan 8.230 nan 0.000 0.418 275 T N 3.050 117.617 114.554 0.022 0.000 2.841 275 T HA 0.894 5.244 4.350 -0.000 0.000 0.285 275 T C -0.227 174.453 174.700 -0.032 0.000 0.991 275 T CA -0.491 61.620 62.100 0.018 0.000 0.966 275 T CB 1.514 70.412 68.868 0.051 0.000 0.962 275 T HN 0.907 nan 8.240 nan 0.000 0.438 276 G N 2.863 111.639 108.800 -0.040 0.000 2.495 276 G HA2 0.610 4.570 3.960 -0.000 0.000 0.294 276 G HA3 0.610 4.570 3.960 -0.000 0.000 0.294 276 G C -3.478 171.379 174.900 -0.071 0.000 1.397 276 G CA -1.126 43.940 45.100 -0.056 0.000 0.790 276 G HN 0.405 nan 8.290 nan 0.000 0.486 277 P HA 0.221 nan 4.420 nan 0.000 0.267 277 P C 0.651 177.819 177.300 -0.220 0.000 1.205 277 P CA -0.183 62.822 63.100 -0.158 0.000 0.765 277 P CB 1.446 32.989 31.700 -0.260 0.000 0.828 278 K N 6.544 126.847 120.400 -0.162 0.000 2.071 278 K HA -0.208 4.112 4.320 -0.000 0.000 0.217 278 K C -0.855 175.648 176.600 -0.161 0.000 1.054 278 K CA 2.659 58.874 56.287 -0.121 0.000 0.937 278 K CB -1.797 30.659 32.500 -0.074 0.000 0.719 278 K HN 0.408 nan 8.250 nan 0.000 0.454 279 P HA -0.136 nan 4.420 nan 0.000 0.218 279 P C 0.964 178.156 177.300 -0.179 0.000 1.148 279 P CA 1.293 64.257 63.100 -0.226 0.000 0.822 279 P CB 0.013 31.509 31.700 -0.340 0.000 0.784 280 L N -1.646 119.433 121.223 -0.241 0.000 2.095 280 L HA -0.081 4.259 4.340 -0.000 0.000 0.204 280 L C 2.235 179.063 176.870 -0.069 0.000 1.080 280 L CA 0.914 55.684 54.840 -0.116 0.000 0.759 280 L CB -0.885 41.104 42.059 -0.117 0.000 0.914 280 L HN -0.090 nan 8.230 nan 0.000 0.439 281 I N 0.317 120.839 120.570 -0.081 0.000 2.226 281 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 281 I C 2.445 178.548 176.117 -0.023 0.000 1.100 281 I CA 1.348 62.621 61.300 -0.045 0.000 1.374 281 I CB -1.099 36.876 38.000 -0.042 0.000 1.057 281 I HN 0.361 nan 8.210 nan 0.000 0.413 282 E N 0.723 120.904 120.200 -0.031 0.000 2.068 282 E HA -0.278 4.072 4.350 -0.000 0.000 0.207 282 E C 2.294 178.899 176.600 0.007 0.000 1.032 282 E CA 1.757 58.150 56.400 -0.012 0.000 0.839 282 E CB 0.056 29.744 29.700 -0.020 0.000 0.758 282 E HN 0.279 nan 8.360 nan 0.000 0.457 283 R N -0.009 120.495 120.500 0.006 0.000 2.105 283 R HA -0.119 4.221 4.340 -0.000 0.000 0.239 283 R C 2.346 178.680 176.300 0.057 0.000 1.135 283 R CA 0.819 56.933 56.100 0.023 0.000 0.967 283 R CB -1.241 29.070 30.300 0.020 0.000 0.861 283 R HN 0.204 nan 8.270 nan 0.000 0.442 284 V N 1.526 121.471 119.914 0.052 0.000 2.307 284 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 284 V C 2.436 178.574 176.094 0.073 0.000 1.045 284 V CA 1.545 63.891 62.300 0.076 0.000 1.024 284 V CB -0.476 31.361 31.823 0.024 0.000 0.651 284 V HN 0.154 nan 8.190 nan 0.000 0.449 285 I N 0.011 120.607 120.570 0.044 0.000 2.151 285 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 285 I C 2.261 178.412 176.117 0.057 0.000 1.080 285 I CA 1.856 63.181 61.300 0.041 0.000 1.339 285 I CB -0.405 37.612 38.000 0.028 0.000 1.039 285 I HN 0.289 nan 8.210 nan 0.000 0.409 286 L N -0.865 120.397 121.223 0.065 0.000 2.240 286 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 286 L C 2.562 179.501 176.870 0.115 0.000 1.106 286 L CA 0.944 55.824 54.840 0.066 0.000 0.793 286 L CB -0.885 41.200 42.059 0.043 0.000 0.927 286 L HN 0.348 nan 8.230 nan 0.000 0.446 287 H N 0.507 119.580 119.070 0.005 0.000 2.428 287 H HA -0.081 4.475 4.556 -0.000 0.000 0.296 287 H C 2.407 177.739 175.328 0.006 0.000 1.062 287 H CA 1.006 57.057 56.048 0.005 0.000 1.350 287 H CB 0.368 30.131 29.762 0.002 0.000 1.403 287 H HN 0.241 nan 8.280 nan 0.000 0.533 288 I N 0.966 121.565 120.570 0.049 0.000 2.315 288 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 288 I C 2.119 178.244 176.117 0.013 0.000 1.117 288 I CA 1.157 62.442 61.300 -0.025 0.000 1.404 288 I CB -0.149 37.849 38.000 -0.004 0.000 1.071 288 I HN 0.394 nan 8.210 nan 0.000 0.419 289 Q N -0.006 119.821 119.800 0.045 0.000 2.508 289 Q HA -0.131 4.209 4.340 -0.000 0.000 0.214 289 Q C 1.687 177.708 176.000 0.034 0.000 0.979 289 Q CA 1.332 57.159 55.803 0.041 0.000 0.911 289 Q CB -0.005 28.756 28.738 0.038 0.000 0.969 289 Q HN 0.632 nan 8.270 nan 0.000 0.504 290 V N -4.627 115.316 119.914 0.049 0.000 3.432 290 V HA 0.186 4.306 4.120 -0.000 0.000 0.298 290 V C 1.220 177.336 176.094 0.036 0.000 1.464 290 V CA 0.505 62.836 62.300 0.050 0.000 1.046 290 V CB 0.568 32.437 31.823 0.076 0.000 0.887 290 V HN 0.206 nan 8.190 nan 0.000 0.441 291 S N 1.633 117.336 115.700 0.004 0.000 3.128 291 S HA 0.048 4.518 4.470 -0.000 0.000 0.171 291 S C 1.711 176.290 174.600 -0.036 0.000 0.707 291 S CA 0.980 59.162 58.200 -0.030 0.000 0.851 291 S CB -0.258 62.882 63.200 -0.100 0.000 0.872 291 S HN 0.611 nan 8.310 nan 0.000 0.724 292 T N 0.629 115.146 114.554 -0.062 0.000 3.160 292 T HA 0.334 4.684 4.350 -0.000 0.000 0.257 292 T C 1.355 175.999 174.700 -0.094 0.000 1.147 292 T CA 0.721 62.776 62.100 -0.074 0.000 1.064 292 T CB -0.937 67.882 68.868 -0.082 0.000 0.949 292 T HN 0.545 nan 8.240 nan 0.000 0.526 293 L N -0.257 120.947 121.223 -0.031 0.000 3.449 293 L HA -0.320 4.020 4.340 -0.000 0.000 0.077 293 L C 0.883 177.817 176.870 0.106 0.000 4.433 293 L CA 2.249 57.111 54.840 0.037 0.000 0.491 293 L CB -1.975 40.130 42.059 0.076 0.000 3.547 293 L HN 0.839 nan 8.230 nan 0.000 0.760 294 H N -2.474 116.637 119.070 0.069 0.000 2.948 294 H HA 0.559 5.115 4.556 -0.000 0.000 0.315 294 H C -3.101 172.262 175.328 0.057 0.000 1.360 294 H CA -1.651 54.433 56.048 0.059 0.000 1.125 294 H CB 1.235 31.043 29.762 0.076 0.000 1.844 294 H HN -0.089 nan 8.280 nan 0.000 0.529 295 P HA 0.051 nan 4.420 nan 0.000 0.276 295 P C 0.148 177.584 177.300 0.226 0.000 1.244 295 P CA -0.395 62.784 63.100 0.131 0.000 0.801 295 P CB 0.577 32.354 31.700 0.128 0.000 1.006 296 S N 0.376 116.154 115.700 0.129 0.000 2.931 296 S HA -0.074 4.396 4.470 -0.000 0.000 0.342 296 S C 1.642 176.372 174.600 0.216 0.000 1.220 296 S CA 0.715 59.007 58.200 0.152 0.000 1.045 296 S CB -0.586 62.678 63.200 0.106 0.000 0.758 296 S HN 0.706 nan 8.310 nan 0.000 0.508 297 T N 4.401 119.103 114.554 0.248 0.000 2.770 297 T HA -0.128 4.222 4.350 -0.000 0.000 0.263 297 T C 1.504 176.290 174.700 0.143 0.000 1.039 297 T CA 1.338 63.532 62.100 0.157 0.000 1.142 297 T CB -0.697 68.220 68.868 0.081 0.000 0.868 297 T HN 0.669 nan 8.240 nan 0.000 0.435 298 F N 2.905 122.889 119.950 0.057 0.000 2.063 298 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 298 F C 2.147 178.010 175.800 0.104 0.000 1.105 298 F CA 2.350 60.417 58.000 0.112 0.000 1.215 298 F CB -0.686 38.345 39.000 0.052 0.000 0.972 298 F HN 0.297 nan 8.300 nan 0.000 0.483 299 N N -0.893 117.998 118.700 0.318 0.000 2.331 299 N HA -0.157 4.582 4.740 -0.000 0.000 0.180 299 N C 1.692 177.239 175.510 0.061 0.000 1.019 299 N CA 0.784 53.948 53.050 0.190 0.000 0.881 299 N CB -0.157 38.428 38.487 0.163 0.000 0.972 299 N HN 0.533 nan 8.380 nan 0.000 0.435 300 Q N 0.588 120.424 119.800 0.060 0.000 2.172 300 Q HA 0.004 4.344 4.340 -0.000 0.000 0.200 300 Q C 2.004 177.970 176.000 -0.056 0.000 0.964 300 Q CA 0.653 56.464 55.803 0.014 0.000 0.855 300 Q CB 0.154 28.914 28.738 0.038 0.000 0.918 300 Q HN 0.383 nan 8.270 nan 0.000 0.444 301 L N -0.124 121.053 121.223 -0.077 0.000 2.027 301 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 301 L C 2.412 179.240 176.870 -0.070 0.000 1.074 301 L CA 1.006 55.770 54.840 -0.127 0.000 0.745 301 L CB -0.309 41.587 42.059 -0.271 0.000 0.898 301 L HN 0.307 nan 8.230 nan 0.000 0.433 302 M N -0.561 119.008 119.600 -0.051 0.000 2.089 302 M HA -0.312 4.168 4.480 -0.000 0.000 0.257 302 M C 2.304 178.472 176.300 -0.220 0.000 1.071 302 M CA 2.068 57.274 55.300 -0.157 0.000 1.096 302 M CB -0.540 31.940 32.600 -0.200 0.000 1.330 302 M HN 0.212 nan 8.290 nan 0.000 0.403 303 I N -0.998 119.449 120.570 -0.204 0.000 2.286 303 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 303 I C 2.731 178.632 176.117 -0.359 0.000 1.104 303 I CA 1.159 62.279 61.300 -0.299 0.000 1.397 303 I CB -0.265 37.590 38.000 -0.242 0.000 1.072 303 I HN 0.298 nan 8.210 nan 0.000 0.417 304 S N 0.197 115.745 115.700 -0.252 0.000 2.387 304 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 304 S C 1.969 176.467 174.600 -0.170 0.000 1.026 304 S CA 1.264 59.330 58.200 -0.222 0.000 0.972 304 S CB -0.123 63.015 63.200 -0.103 0.000 0.814 304 S HN 0.449 nan 8.310 nan 0.000 0.477 305 Q N 0.434 120.114 119.800 -0.200 0.000 2.172 305 Q HA 0.075 4.415 4.340 -0.000 0.000 0.200 305 Q C 2.204 178.035 176.000 -0.282 0.000 0.964 305 Q CA 0.808 56.497 55.803 -0.191 0.000 0.855 305 Q CB -0.277 28.373 28.738 -0.147 0.000 0.918 305 Q HN 0.474 nan 8.270 nan 0.000 0.444 306 L N 0.878 121.854 121.223 -0.412 0.000 1.971 306 L HA -0.239 4.101 4.340 -0.000 0.000 0.215 306 L C 2.057 178.519 176.870 -0.679 0.000 1.072 306 L CA 1.754 56.193 54.840 -0.667 0.000 0.758 306 L CB -0.353 41.251 42.059 -0.758 0.000 0.889 306 L HN 0.332 nan 8.230 nan 0.000 0.433 307 L N -1.380 119.459 121.223 -0.640 0.000 2.044 307 L HA -0.221 4.119 4.340 -0.000 0.000 0.205 307 L C 2.510 179.047 176.870 -0.555 0.000 1.075 307 L CA 1.076 55.454 54.840 -0.770 0.000 0.747 307 L CB -0.897 40.212 42.059 -1.584 0.000 0.903 307 L HN 0.330 nan 8.230 nan 0.000 0.435 308 H N -0.593 118.154 119.070 -0.537 0.000 2.387 308 H HA -0.180 4.376 4.556 -0.000 0.000 0.299 308 H C 2.196 177.552 175.328 0.048 0.000 1.090 308 H CA 1.453 57.447 56.048 -0.089 0.000 1.332 308 H CB 0.069 29.780 29.762 -0.085 0.000 1.386 308 H HN 0.191 nan 8.280 nan 0.000 0.516 309 E N -0.054 120.184 120.200 0.063 0.000 2.031 309 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 309 E C 1.706 178.427 176.600 0.203 0.000 0.994 309 E CA 1.113 57.550 56.400 0.062 0.000 0.800 309 E CB -0.412 29.244 29.700 -0.073 0.000 0.752 309 E HN 0.414 nan 8.360 nan 0.000 0.447 310 W N 0.664 121.977 121.300 0.021 0.000 2.321 310 W HA 0.034 4.694 4.660 -0.000 0.000 0.306 310 W C 1.306 177.920 176.519 0.157 0.000 1.217 310 W CA 2.062 59.450 57.345 0.072 0.000 1.257 310 W CB -1.186 28.312 29.460 0.063 0.000 1.145 310 W HN 0.321 nan 8.180 nan 0.000 0.509 311 G N -0.138 108.953 108.800 0.485 0.000 2.829 311 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.628 311 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.628 311 G C 0.738 175.956 174.900 0.529 0.000 1.412 311 G CA 0.095 45.460 45.100 0.442 0.000 0.864 311 G HN 0.394 nan 8.290 nan 0.000 0.544 312 E N -0.256 120.122 120.200 0.296 0.000 2.333 312 E HA -0.130 4.219 4.350 -0.000 0.000 0.198 312 E C 1.773 178.501 176.600 0.214 0.000 1.007 312 E CA 1.728 58.271 56.400 0.239 0.000 0.845 312 E CB -0.022 29.671 29.700 -0.010 0.000 0.766 312 E HN 0.566 nan 8.360 nan 0.000 0.507 313 E N 1.111 121.400 120.200 0.147 0.000 2.017 313 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 313 E C 2.069 178.661 176.600 -0.013 0.000 0.997 313 E CA 1.944 58.379 56.400 0.058 0.000 0.804 313 E CB -0.641 29.093 29.700 0.057 0.000 0.757 313 E HN 0.361 nan 8.360 nan 0.000 0.448 314 G N -1.009 107.772 108.800 -0.031 0.000 2.623 314 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.214 314 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.214 314 G C 1.318 175.853 174.900 -0.607 0.000 1.138 314 G CA 0.360 45.236 45.100 -0.374 0.000 0.794 314 G HN 0.309 nan 8.290 nan 0.000 0.535 315 F N 1.440 121.285 119.950 -0.175 0.000 2.060 315 F HA 0.034 4.561 4.527 -0.000 0.000 0.295 315 F C 2.439 178.178 175.800 -0.101 0.000 1.120 315 F CA 1.301 59.283 58.000 -0.030 0.000 1.205 315 F CB -0.026 39.192 39.000 0.363 0.000 0.986 315 F HN -0.005 nan 8.300 nan 0.000 0.470 316 M N 0.366 119.813 119.600 -0.256 0.000 2.296 316 M HA -0.008 4.472 4.480 -0.000 0.000 0.265 316 M C 2.337 178.456 176.300 -0.301 0.000 1.064 316 M CA 1.308 56.402 55.300 -0.344 0.000 1.109 316 M CB -1.925 30.628 32.600 -0.079 0.000 1.396 316 M HN 0.367 nan 8.290 nan 0.000 0.430 317 A N -1.141 121.515 122.820 -0.273 0.000 1.970 317 A HA -0.153 4.166 4.320 -0.000 0.000 0.216 317 A C 2.100 179.529 177.584 -0.258 0.000 1.170 317 A CA 1.154 53.054 52.037 -0.228 0.000 0.645 317 A CB -0.980 17.901 19.000 -0.199 0.000 0.816 317 A HN 0.588 nan 8.150 nan 0.000 0.447 318 H N -0.242 118.523 119.070 -0.509 0.000 2.389 318 H HA -0.052 4.504 4.556 -0.000 0.000 0.299 318 H C 1.795 176.947 175.328 -0.294 0.000 1.081 318 H CA 1.782 57.561 56.048 -0.448 0.000 1.345 318 H CB 0.151 29.485 29.762 -0.714 0.000 1.393 318 H HN 0.216 nan 8.280 nan 0.000 0.520 319 V N 1.494 121.082 119.914 -0.543 0.000 2.407 319 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 319 V C 2.234 178.193 176.094 -0.225 0.000 1.055 319 V CA 1.899 63.925 62.300 -0.455 0.000 1.049 319 V CB -0.396 31.144 31.823 -0.472 0.000 0.662 319 V HN 0.438 nan 8.190 nan 0.000 0.455 320 D N -0.024 120.268 120.400 -0.180 0.000 2.084 320 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 320 D C 2.440 178.720 176.300 -0.033 0.000 0.990 320 D CA 1.305 55.261 54.000 -0.072 0.000 0.826 320 D CB -0.173 40.586 40.800 -0.068 0.000 0.971 320 D HN 0.335 nan 8.370 nan 0.000 0.453 321 R N 0.297 120.753 120.500 -0.073 0.000 2.105 321 R HA -0.123 4.217 4.340 -0.000 0.000 0.239 321 R C 2.391 178.698 176.300 0.011 0.000 1.135 321 R CA 1.159 57.244 56.100 -0.025 0.000 0.967 321 R CB -0.263 30.013 30.300 -0.039 0.000 0.861 321 R HN 0.220 nan 8.270 nan 0.000 0.442 322 V N -1.301 118.571 119.914 -0.069 0.000 2.788 322 V HA -0.045 4.075 4.120 -0.000 0.000 0.251 322 V C 1.795 178.074 176.094 0.310 0.000 1.068 322 V CA 1.192 63.538 62.300 0.076 0.000 1.090 322 V CB -0.232 31.589 31.823 -0.005 0.000 0.710 322 V HN 0.152 nan 8.190 nan 0.000 0.467 323 I N 0.939 121.635 120.570 0.209 0.000 2.252 323 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 323 I C 2.387 178.702 176.117 0.330 0.000 1.102 323 I CA 1.911 63.397 61.300 0.311 0.000 1.385 323 I CB -0.446 37.669 38.000 0.192 0.000 1.064 323 I HN 0.280 nan 8.210 nan 0.000 0.414 324 D N 0.293 120.813 120.400 0.200 0.000 2.178 324 D HA -0.205 4.434 4.640 -0.000 0.000 0.201 324 D C 1.918 178.302 176.300 0.139 0.000 0.980 324 D CA 1.235 55.319 54.000 0.140 0.000 0.842 324 D CB -0.201 40.651 40.800 0.087 0.000 0.948 324 D HN 0.305 nan 8.370 nan 0.000 0.472 325 F N 0.695 120.665 119.950 0.034 0.000 2.084 325 F HA -0.242 4.285 4.527 -0.000 0.000 0.296 325 F C 2.100 177.886 175.800 -0.024 0.000 1.111 325 F CA 1.234 59.205 58.000 -0.048 0.000 1.224 325 F CB -0.537 38.377 39.000 -0.143 0.000 0.991 325 F HN -0.142 nan 8.300 nan 0.000 0.471 326 Y N 0.720 121.108 120.300 0.147 0.000 2.315 326 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 326 Y C 2.773 178.676 175.900 0.005 0.000 1.154 326 Y CA 1.531 59.747 58.100 0.193 0.000 1.229 326 Y CB -1.062 37.711 38.460 0.523 0.000 0.980 326 Y HN 0.112 nan 8.280 nan 0.000 0.540 327 S N -0.201 115.502 115.700 0.005 0.000 2.345 327 S HA -0.174 4.296 4.470 -0.000 0.000 0.219 327 S C 1.716 176.098 174.600 -0.364 0.000 1.031 327 S CA 1.375 59.352 58.200 -0.371 0.000 0.984 327 S CB -0.482 62.599 63.200 -0.200 0.000 0.874 327 S HN 0.614 nan 8.310 nan 0.000 0.451 328 N N 1.300 119.829 118.700 -0.284 0.000 2.061 328 N HA -0.162 4.578 4.740 -0.000 0.000 0.193 328 N C 1.895 177.195 175.510 -0.349 0.000 1.030 328 N CA 1.217 54.097 53.050 -0.284 0.000 0.856 328 N CB -0.180 38.169 38.487 -0.231 0.000 1.023 328 N HN 0.300 nan 8.380 nan 0.000 0.424 329 Q N 1.166 120.700 119.800 -0.443 0.000 2.061 329 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 329 Q C 2.025 177.738 176.000 -0.479 0.000 0.984 329 Q CA 1.288 56.889 55.803 -0.337 0.000 0.846 329 Q CB -0.369 28.263 28.738 -0.178 0.000 0.902 329 Q HN 0.498 nan 8.270 nan 0.000 0.421 330 K N 0.812 120.732 120.400 -0.799 0.000 2.057 330 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 330 K C 1.305 177.512 176.600 -0.656 0.000 1.049 330 K CA 1.589 57.141 56.287 -1.226 0.000 0.931 330 K CB 0.015 31.794 32.500 -1.200 0.000 0.714 330 K HN -0.015 nan 8.250 nan 0.000 0.440 331 D N 0.641 120.755 120.400 -0.475 0.000 2.116 331 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 331 D C 1.778 177.925 176.300 -0.256 0.000 0.998 331 D CA 1.772 55.586 54.000 -0.310 0.000 0.836 331 D CB -0.185 40.468 40.800 -0.245 0.000 0.951 331 D HN 0.419 nan 8.370 nan 0.000 0.449 332 A N 0.144 122.814 122.820 -0.249 0.000 1.874 332 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 332 A C 2.246 179.722 177.584 -0.180 0.000 1.189 332 A CA 0.620 52.553 52.037 -0.173 0.000 0.615 332 A CB -0.724 18.201 19.000 -0.124 0.000 0.830 332 A HN 0.219 nan 8.150 nan 0.000 0.443 333 I N -0.972 119.472 120.570 -0.210 0.000 2.423 333 I HA -0.224 3.946 4.170 -0.000 0.000 0.254 333 I C 2.071 177.974 176.117 -0.357 0.000 1.151 333 I CA 1.009 62.195 61.300 -0.191 0.000 1.421 333 I CB 0.018 37.965 38.000 -0.089 0.000 1.079 333 I HN 0.290 nan 8.210 nan 0.000 0.431 334 L N -0.174 120.862 121.223 -0.311 0.000 2.162 334 L HA 0.068 4.408 4.340 -0.000 0.000 0.205 334 L C 2.434 179.185 176.870 -0.198 0.000 1.086 334 L CA 1.772 56.465 54.840 -0.245 0.000 0.778 334 L CB -0.818 41.135 42.059 -0.176 0.000 0.928 334 L HN 0.246 nan 8.230 nan 0.000 0.446 335 A N -0.769 121.937 122.820 -0.191 0.000 1.873 335 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 335 A C 2.444 179.914 177.584 -0.191 0.000 1.186 335 A CA 1.499 53.446 52.037 -0.150 0.000 0.616 335 A CB -1.063 17.863 19.000 -0.123 0.000 0.823 335 A HN 0.406 nan 8.150 nan 0.000 0.442 336 A N -0.059 122.622 122.820 -0.231 0.000 1.917 336 A HA 0.053 4.373 4.320 -0.000 0.000 0.219 336 A C 2.469 179.780 177.584 -0.456 0.000 1.182 336 A CA 2.419 54.317 52.037 -0.231 0.000 0.633 336 A CB -0.967 17.905 19.000 -0.212 0.000 0.819 336 A HN 1.080 nan 8.150 nan 0.000 0.448 337 A N -0.615 121.751 122.820 -0.756 0.000 1.897 337 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 337 A C 1.787 179.236 177.584 -0.225 0.000 1.181 337 A CA 1.570 53.075 52.037 -0.886 0.000 0.620 337 A CB -0.463 17.709 19.000 -1.380 0.000 0.821 337 A HN 0.447 nan 8.150 nan 0.000 0.443 338 D N -0.542 119.841 120.400 -0.028 0.000 2.218 338 D HA -0.131 4.509 4.640 -0.000 0.000 0.204 338 D C 1.850 178.123 176.300 -0.045 0.000 0.976 338 D CA 1.363 55.424 54.000 0.101 0.000 0.853 338 D CB -0.015 40.816 40.800 0.051 0.000 0.939 338 D HN 0.608 nan 8.370 nan 0.000 0.481 339 K N -0.893 119.397 120.400 -0.184 0.000 2.098 339 K HA -0.088 4.232 4.320 -0.000 0.000 0.203 339 K C 1.459 177.706 176.600 -0.589 0.000 1.051 339 K CA 0.781 56.822 56.287 -0.410 0.000 0.957 339 K CB 0.122 32.317 32.500 -0.508 0.000 0.738 339 K HN 0.091 nan 8.250 nan 0.000 0.447 340 W N -0.424 120.878 121.300 0.005 0.000 2.940 340 W HA 0.283 4.943 4.660 -0.000 0.000 0.297 340 W C 1.112 177.683 176.519 0.088 0.000 1.149 340 W CA -0.438 56.940 57.345 0.056 0.000 1.564 340 W CB 0.557 30.076 29.460 0.097 0.000 1.010 340 W HN -0.086 nan 8.180 nan 0.000 0.578 341 L N -0.127 121.259 121.223 0.272 0.000 2.664 341 L HA 0.197 4.537 4.340 -0.000 0.000 0.233 341 L C 1.162 178.227 176.870 0.324 0.000 1.113 341 L CA 0.299 55.316 54.840 0.295 0.000 0.896 341 L CB -0.165 42.026 42.059 0.220 0.000 1.163 341 L HN -0.313 nan 8.230 nan 0.000 0.497 342 T N 0.336 115.046 114.554 0.260 0.000 2.758 342 T HA 0.252 4.602 4.350 -0.000 0.000 0.281 342 T C 1.220 175.976 174.700 0.092 0.000 0.963 342 T CA 1.280 63.486 62.100 0.177 0.000 1.201 342 T CB 0.160 69.079 68.868 0.085 0.000 0.906 342 T HN 0.662 nan 8.240 nan 0.000 0.528 343 G N 3.959 112.791 108.800 0.054 0.000 2.195 343 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.246 343 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.246 343 G C 0.676 175.605 174.900 0.047 0.000 0.984 343 G CA 0.314 45.427 45.100 0.022 0.000 0.633 343 G HN 0.685 nan 8.290 nan 0.000 0.525 344 L N 0.106 121.392 121.223 0.104 0.000 2.766 344 L HA 0.702 5.041 4.340 -0.000 0.000 0.242 344 L C 0.990 177.931 176.870 0.117 0.000 1.136 344 L CA 0.704 55.605 54.840 0.102 0.000 0.933 344 L CB 0.462 42.598 42.059 0.127 0.000 1.241 344 L HN 0.739 nan 8.230 nan 0.000 0.522 345 A N -0.216 122.709 122.820 0.175 0.000 2.583 345 A HA 0.658 4.978 4.320 -0.000 0.000 0.292 345 A C -1.383 176.339 177.584 0.229 0.000 1.045 345 A CA -0.614 51.551 52.037 0.214 0.000 0.672 345 A CB 1.311 20.491 19.000 0.299 0.000 1.283 345 A HN 0.040 nan 8.150 nan 0.000 0.419 346 E N -0.866 119.424 120.200 0.151 0.000 2.378 346 E HA 0.730 5.080 4.350 -0.000 0.000 0.265 346 E C -1.469 175.240 176.600 0.182 0.000 0.932 346 E CA -0.470 55.872 56.400 -0.096 0.000 0.795 346 E CB 2.437 32.019 29.700 -0.197 0.000 1.296 346 E HN 0.989 nan 8.360 nan 0.000 0.438 347 W N -0.296 120.920 121.300 -0.140 0.000 3.338 347 W HA 0.334 4.994 4.660 -0.000 0.000 0.299 347 W C -1.796 174.611 176.519 -0.187 0.000 1.226 347 W CA -0.613 56.685 57.345 -0.077 0.000 1.183 347 W CB 0.149 29.635 29.460 0.043 0.000 1.360 347 W HN 0.363 nan 8.180 nan 0.000 0.569 348 H N 1.651 120.922 119.070 0.334 0.000 2.479 348 H HA 0.474 5.030 4.556 -0.000 0.000 0.335 348 H C -0.150 175.359 175.328 0.302 0.000 1.142 348 H CA -0.863 55.311 56.048 0.210 0.000 1.234 348 H CB 2.594 32.464 29.762 0.180 0.000 1.503 348 H HN 0.521 nan 8.280 nan 0.000 0.510 349 V N 5.013 125.120 119.914 0.320 0.000 2.425 349 V HA 0.049 4.169 4.120 -0.000 0.000 0.276 349 V C -2.002 174.237 176.094 0.243 0.000 1.017 349 V CA -1.133 61.317 62.300 0.250 0.000 1.062 349 V CB -0.052 31.856 31.823 0.141 0.000 0.997 349 V HN 0.589 nan 8.190 nan 0.000 0.476 350 P HA 0.101 nan 4.420 nan 0.000 0.261 350 P C 0.341 177.847 177.300 0.343 0.000 1.183 350 P CA 0.387 63.673 63.100 0.310 0.000 0.761 350 P CB 1.071 33.023 31.700 0.419 0.000 0.785 351 A N 2.764 125.728 122.820 0.241 0.000 2.123 351 A HA 0.437 4.757 4.320 -0.000 0.000 0.214 351 A C 0.918 178.542 177.584 0.067 0.000 1.152 351 A CA 1.390 53.544 52.037 0.195 0.000 0.728 351 A CB -0.190 18.852 19.000 0.069 0.000 0.814 351 A HN 0.716 nan 8.150 nan 0.000 0.464 352 A N -3.643 119.136 122.820 -0.069 0.000 2.566 352 A HA 0.648 4.968 4.320 -0.000 0.000 0.290 352 A C 0.393 177.787 177.584 -0.316 0.000 1.071 352 A CA 0.096 51.782 52.037 -0.585 0.000 0.658 352 A CB -0.323 18.465 19.000 -0.353 0.000 1.285 352 A HN 2.111 nan 8.150 nan 0.000 0.427 353 G N -0.607 107.924 108.800 -0.450 0.000 2.545 353 G HA2 0.273 4.232 3.960 -0.000 0.000 0.216 353 G HA3 0.273 4.232 3.960 -0.000 0.000 0.216 353 G C 0.329 174.969 174.900 -0.432 0.000 1.314 353 G CA 0.625 45.387 45.100 -0.563 0.000 0.906 353 G HN 2.363 nan 8.290 nan 0.000 0.563 354 M N -1.675 117.419 119.600 -0.844 0.000 2.747 354 M HA 0.705 5.185 4.480 -0.000 0.000 0.402 354 M C -0.878 174.385 176.300 -1.727 0.000 1.238 354 M CA -0.108 54.303 55.300 -1.482 0.000 0.877 354 M CB 0.336 32.289 32.600 -1.078 0.000 1.424 354 M HN 0.371 nan 8.290 nan 0.000 0.511 355 F N 1.361 120.956 119.950 -0.591 0.000 2.599 355 F HA 0.769 5.296 4.527 -0.000 0.000 0.311 355 F C -0.964 174.990 175.800 0.257 0.000 1.076 355 F CA -1.062 56.837 58.000 -0.168 0.000 0.937 355 F CB 2.142 41.049 39.000 -0.155 0.000 1.282 355 F HN 0.106 nan 8.300 nan 0.000 0.460 356 L N 2.915 124.492 121.223 0.591 0.000 2.381 356 L HA 0.638 4.978 4.340 -0.000 0.000 0.268 356 L C -1.952 175.223 176.870 0.508 0.000 0.997 356 L CA -0.552 54.594 54.840 0.511 0.000 0.818 356 L CB 2.267 44.566 42.059 0.400 0.000 1.310 356 L HN 0.734 nan 8.230 nan 0.000 0.416 357 W N 7.799 129.242 121.300 0.239 0.000 2.830 357 W HA 0.586 5.246 4.660 -0.000 0.000 0.335 357 W C -2.292 174.431 176.519 0.340 0.000 1.043 357 W CA -0.779 56.699 57.345 0.222 0.000 1.239 357 W CB 1.478 31.009 29.460 0.118 0.000 1.378 357 W HN 0.414 nan 8.180 nan 0.000 0.456 358 I N 5.891 126.490 120.570 0.048 0.000 2.465 358 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 358 I C -0.078 175.979 176.117 -0.099 0.000 1.014 358 I CA -0.845 60.513 61.300 0.097 0.000 1.093 358 I CB 2.385 40.435 38.000 0.083 0.000 1.267 358 I HN 0.269 nan 8.210 nan 0.000 0.431 359 K N 6.825 127.174 120.400 -0.085 0.000 2.347 359 K HA 0.405 4.725 4.320 -0.000 0.000 0.262 359 K C -0.951 175.540 176.600 -0.182 0.000 1.052 359 K CA -0.514 55.515 56.287 -0.430 0.000 0.946 359 K CB 1.083 33.263 32.500 -0.534 0.000 1.220 359 K HN 0.434 nan 8.250 nan 0.000 0.450 360 V N 4.650 124.458 119.914 -0.177 0.000 2.540 360 V HA -0.008 4.111 4.120 -0.000 0.000 0.297 360 V C 0.491 176.528 176.094 -0.094 0.000 1.024 360 V CA 0.186 62.439 62.300 -0.079 0.000 1.105 360 V CB 0.182 31.964 31.823 -0.068 0.000 0.938 360 V HN 0.659 nan 8.190 nan 0.000 0.482 361 K N 3.347 123.723 120.400 -0.040 0.000 2.205 361 K HA 0.491 4.811 4.320 -0.000 0.000 0.279 361 K C 1.117 177.697 176.600 -0.034 0.000 1.027 361 K CA 0.407 56.669 56.287 -0.042 0.000 0.932 361 K CB 1.158 33.647 32.500 -0.018 0.000 1.032 361 K HN 1.080 nan 8.250 nan 0.000 0.466 362 G N 2.614 111.390 108.800 -0.039 0.000 2.160 362 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.251 362 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.251 362 G C -0.048 174.836 174.900 -0.027 0.000 1.008 362 G CA -0.004 45.080 45.100 -0.027 0.000 0.724 362 G HN 0.548 nan 8.290 nan 0.000 0.514 363 I N -0.544 120.002 120.570 -0.038 0.000 2.582 363 I HA 0.295 4.465 4.170 -0.000 0.000 0.292 363 I C 0.972 177.063 176.117 -0.044 0.000 1.066 363 I CA -0.762 60.517 61.300 -0.035 0.000 1.053 363 I CB 1.899 39.879 38.000 -0.032 0.000 1.241 363 I HN 0.101 nan 8.210 nan 0.000 0.421 364 N N 3.538 122.218 118.700 -0.033 0.000 2.197 364 N HA -0.063 4.677 4.740 -0.000 0.000 0.184 364 N C -0.090 175.401 175.510 -0.032 0.000 1.030 364 N CA 1.011 54.041 53.050 -0.033 0.000 0.851 364 N CB 0.332 38.805 38.487 -0.023 0.000 1.003 364 N HN 0.671 nan 8.380 nan 0.000 0.430 365 D N -1.318 119.069 120.400 -0.022 0.000 2.649 365 D HA 0.212 4.852 4.640 -0.000 0.000 0.249 365 D C -0.449 175.846 176.300 -0.007 0.000 1.112 365 D CA -0.621 53.373 54.000 -0.011 0.000 0.850 365 D CB 2.063 42.860 40.800 -0.005 0.000 1.399 365 D HN -0.037 nan 8.370 nan 0.000 0.503 366 V N 4.291 124.206 119.914 0.002 0.000 3.649 366 V HA 0.080 4.200 4.120 -0.000 0.000 0.275 366 V C 1.755 177.858 176.094 0.015 0.000 1.281 366 V CA 0.745 63.046 62.300 0.001 0.000 1.143 366 V CB -0.495 31.325 31.823 -0.006 0.000 0.892 366 V HN 0.561 nan 8.190 nan 0.000 0.441 367 K N 0.213 120.627 120.400 0.022 0.000 1.985 367 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 367 K C 1.987 178.594 176.600 0.013 0.000 1.047 367 K CA 2.159 58.461 56.287 0.025 0.000 0.932 367 K CB -0.057 32.457 32.500 0.024 0.000 0.716 367 K HN 0.471 nan 8.250 nan 0.000 0.439 368 E N 1.087 121.291 120.200 0.006 0.000 2.086 368 E HA -0.261 4.089 4.350 -0.000 0.000 0.205 368 E C 1.845 178.444 176.600 -0.003 0.000 1.027 368 E CA 1.441 57.842 56.400 0.000 0.000 0.830 368 E CB -0.435 29.264 29.700 -0.003 0.000 0.751 368 E HN 0.175 nan 8.360 nan 0.000 0.456 369 L N 0.245 121.465 121.223 -0.005 0.000 2.051 369 L HA -0.209 4.131 4.340 -0.000 0.000 0.214 369 L C 1.907 178.769 176.870 -0.013 0.000 1.076 369 L CA 1.738 56.572 54.840 -0.011 0.000 0.758 369 L CB -0.242 41.809 42.059 -0.014 0.000 0.890 369 L HN 0.153 nan 8.230 nan 0.000 0.433 370 I N -0.209 120.359 120.570 -0.004 0.000 2.277 370 I HA -0.151 4.019 4.170 -0.000 0.000 0.243 370 I C 2.233 178.350 176.117 0.000 0.000 1.094 370 I CA 1.425 62.724 61.300 -0.002 0.000 1.393 370 I CB -1.141 36.867 38.000 0.014 0.000 1.078 370 I HN 0.491 nan 8.210 nan 0.000 0.417 371 E N -0.123 120.080 120.200 0.005 0.000 2.481 371 E HA 0.037 4.387 4.350 -0.000 0.000 0.198 371 E C 1.275 177.875 176.600 0.001 0.000 1.027 371 E CA 0.124 56.527 56.400 0.005 0.000 0.900 371 E CB 0.168 29.874 29.700 0.011 0.000 0.993 371 E HN 0.419 nan 8.360 nan 0.000 0.482 372 E N 0.276 120.475 120.200 -0.003 0.000 2.490 372 E HA 0.170 4.520 4.350 -0.000 0.000 0.209 372 E C 1.229 177.823 176.600 -0.009 0.000 0.971 372 E CA 0.145 56.542 56.400 -0.005 0.000 0.988 372 E CB 0.566 30.264 29.700 -0.004 0.000 1.029 372 E HN 0.001 nan 8.360 nan 0.000 0.496 373 K N -1.008 119.384 120.400 -0.012 0.000 2.585 373 K HA 0.275 4.595 4.320 -0.000 0.000 0.198 373 K C 1.787 178.372 176.600 -0.025 0.000 1.403 373 K CA 0.644 56.920 56.287 -0.018 0.000 1.021 373 K CB 0.407 32.896 32.500 -0.018 0.000 1.558 373 K HN -0.042 nan 8.250 nan 0.000 0.524 374 A N 1.833 124.637 122.820 -0.027 0.000 1.840 374 A HA -0.105 4.215 4.320 -0.000 0.000 0.214 374 A C 2.242 179.806 177.584 -0.032 0.000 1.198 374 A CA 1.871 53.885 52.037 -0.038 0.000 0.608 374 A CB -1.051 17.922 19.000 -0.044 0.000 0.839 374 A HN 0.137 nan 8.150 nan 0.000 0.443 375 V N -1.220 118.682 119.914 -0.020 0.000 2.277 375 V HA -0.375 3.745 4.120 -0.000 0.000 0.253 375 V C 2.079 178.164 176.094 -0.016 0.000 1.067 375 V CA 2.693 64.984 62.300 -0.014 0.000 1.047 375 V CB -1.142 30.679 31.823 -0.004 0.000 0.649 375 V HN 0.525 nan 8.190 nan 0.000 0.447 376 K N -0.789 119.602 120.400 -0.016 0.000 2.032 376 K HA -0.099 4.221 4.320 -0.000 0.000 0.209 376 K C 2.153 178.740 176.600 -0.022 0.000 1.048 376 K CA 2.003 58.281 56.287 -0.016 0.000 0.927 376 K CB -0.302 32.189 32.500 -0.015 0.000 0.712 376 K HN 0.415 nan 8.250 nan 0.000 0.441 377 M N -0.609 118.973 119.600 -0.030 0.000 2.686 377 M HA -0.000 4.480 4.480 -0.000 0.000 0.246 377 M C 1.050 177.324 176.300 -0.043 0.000 1.096 377 M CA 1.004 56.280 55.300 -0.040 0.000 1.076 377 M CB -0.312 32.257 32.600 -0.052 0.000 1.504 377 M HN 0.490 nan 8.290 nan 0.000 0.524 378 G N 0.960 109.740 108.800 -0.034 0.000 2.141 378 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.231 378 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.231 378 G C 0.062 174.940 174.900 -0.037 0.000 0.984 378 G CA 0.243 45.325 45.100 -0.030 0.000 0.660 378 G HN 0.634 nan 8.290 nan 0.000 0.525 379 V N -2.182 117.704 119.914 -0.047 0.000 2.841 379 V HA 0.904 5.024 4.120 -0.000 0.000 0.310 379 V C -0.305 175.758 176.094 -0.052 0.000 1.090 379 V CA -1.382 60.882 62.300 -0.061 0.000 0.930 379 V CB 2.371 34.132 31.823 -0.104 0.000 1.014 379 V HN 0.394 nan 8.190 nan 0.000 0.425 380 L N 5.522 126.721 121.223 -0.041 0.000 2.410 380 L HA 0.699 5.039 4.340 -0.000 0.000 0.270 380 L C -0.380 176.482 176.870 -0.013 0.000 0.983 380 L CA -0.483 54.349 54.840 -0.013 0.000 0.822 380 L CB 2.177 44.246 42.059 0.016 0.000 1.285 380 L HN 0.709 nan 8.230 nan 0.000 0.409 381 M N 3.184 122.784 119.600 -0.000 0.000 2.775 381 M HA 0.479 4.959 4.480 -0.000 0.000 0.296 381 M C -1.323 175.032 176.300 0.093 0.000 1.248 381 M CA -1.021 54.303 55.300 0.039 0.000 0.800 381 M CB 2.645 35.242 32.600 -0.006 0.000 1.765 381 M HN 0.264 nan 8.290 nan 0.000 0.472 382 L N 2.794 124.112 121.223 0.157 0.000 2.265 382 L HA 0.516 4.856 4.340 -0.000 0.000 0.289 382 L C -2.487 174.526 176.870 0.239 0.000 1.033 382 L CA -1.436 53.525 54.840 0.203 0.000 0.814 382 L CB 1.037 43.259 42.059 0.272 0.000 1.203 382 L HN 0.236 nan 8.230 nan 0.000 0.423 383 P HA 0.166 nan 4.420 nan 0.000 0.269 383 P C 0.560 178.076 177.300 0.359 0.000 1.209 383 P CA -0.080 63.143 63.100 0.205 0.000 0.776 383 P CB 0.722 32.501 31.700 0.131 0.000 0.876 384 G N 2.114 111.170 108.800 0.426 0.000 2.679 384 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.212 384 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.212 384 G C 1.079 176.406 174.900 0.713 0.000 1.137 384 G CA 0.191 45.748 45.100 0.763 0.000 0.787 384 G HN 0.454 nan 8.290 nan 0.000 0.534 385 N N 1.538 120.475 118.700 0.396 0.000 2.091 385 N HA -0.147 4.593 4.740 -0.000 0.000 0.193 385 N C 2.226 177.893 175.510 0.262 0.000 1.021 385 N CA 1.575 54.798 53.050 0.287 0.000 0.862 385 N CB -0.231 38.332 38.487 0.127 0.000 1.018 385 N HN 0.327 nan 8.380 nan 0.000 0.429 386 A N -0.391 122.446 122.820 0.029 0.000 2.206 386 A HA 0.083 4.403 4.320 -0.000 0.000 0.211 386 A C 0.723 178.092 177.584 -0.359 0.000 1.158 386 A CA 0.362 52.256 52.037 -0.237 0.000 0.761 386 A CB -0.595 18.136 19.000 -0.449 0.000 0.801 386 A HN 0.281 nan 8.150 nan 0.000 0.473 387 F N -1.047 118.954 119.950 0.085 0.000 2.696 387 F HA 0.298 4.825 4.527 -0.000 0.000 0.296 387 F C -0.354 175.234 175.800 -0.353 0.000 1.181 387 F CA 0.021 57.921 58.000 -0.167 0.000 1.411 387 F CB -0.519 38.297 39.000 -0.308 0.000 1.014 387 F HN 0.165 nan 8.300 nan 0.000 0.512 388 Y N -2.750 117.602 120.300 0.086 0.000 2.524 388 Y HA 0.314 4.864 4.550 -0.000 0.000 0.347 388 Y C 0.974 176.872 175.900 -0.003 0.000 1.005 388 Y CA -1.447 56.690 58.100 0.061 0.000 1.025 388 Y CB 1.210 39.724 38.460 0.089 0.000 1.275 388 Y HN -0.248 nan 8.280 nan 0.000 0.460 389 V N -0.497 119.500 119.914 0.140 0.000 2.250 389 V HA -0.320 3.800 4.120 -0.000 0.000 0.253 389 V C 0.659 176.779 176.094 0.042 0.000 1.065 389 V CA 2.204 64.537 62.300 0.055 0.000 1.039 389 V CB -0.374 31.481 31.823 0.052 0.000 0.647 389 V HN 0.803 nan 8.190 nan 0.000 0.446 390 D N 0.212 120.660 120.400 0.079 0.000 2.483 390 D HA 0.165 4.805 4.640 -0.000 0.000 0.220 390 D C 1.275 177.599 176.300 0.040 0.000 1.173 390 D CA 0.582 54.602 54.000 0.034 0.000 0.964 390 D CB 0.397 41.206 40.800 0.015 0.000 1.046 390 D HN 0.426 nan 8.370 nan 0.000 0.517 391 S N 0.840 116.554 115.700 0.024 0.000 2.607 391 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 391 S C 1.556 176.161 174.600 0.009 0.000 0.969 391 S CA 0.420 58.642 58.200 0.037 0.000 0.927 391 S CB -0.176 63.020 63.200 -0.006 0.000 0.772 391 S HN 0.307 nan 8.310 nan 0.000 0.533 392 S N 0.876 116.570 115.700 -0.009 0.000 2.503 392 S HA 0.534 5.004 4.470 -0.000 0.000 0.217 392 S C 0.914 175.503 174.600 -0.019 0.000 0.999 392 S CA 0.012 58.204 58.200 -0.014 0.000 0.914 392 S CB -0.414 62.775 63.200 -0.018 0.000 0.782 392 S HN 0.725 nan 8.310 nan 0.000 0.520 393 A N 3.839 126.640 122.820 -0.032 0.000 2.483 393 A HA 0.498 4.818 4.320 -0.000 0.000 0.238 393 A C -2.144 175.405 177.584 -0.058 0.000 1.070 393 A CA -1.224 50.779 52.037 -0.057 0.000 0.770 393 A CB -0.438 18.502 19.000 -0.100 0.000 1.008 393 A HN 0.369 nan 8.150 nan 0.000 0.497 394 P HA 0.180 nan 4.420 nan 0.000 0.271 394 P C -0.548 176.727 177.300 -0.042 0.000 1.216 394 P CA 0.046 63.126 63.100 -0.034 0.000 0.771 394 P CB 1.202 32.885 31.700 -0.029 0.000 0.864 395 S N 3.236 118.941 115.700 0.008 0.000 2.605 395 S HA 0.430 4.900 4.470 -0.000 0.000 0.308 395 S C -1.800 172.830 174.600 0.049 0.000 1.113 395 S CA -1.943 56.297 58.200 0.065 0.000 1.049 395 S CB 1.198 64.516 63.200 0.196 0.000 1.001 395 S HN 0.258 nan 8.310 nan 0.000 0.480 396 P HA 0.019 nan 4.420 nan 0.000 0.234 396 P C -0.419 176.720 177.300 -0.268 0.000 1.167 396 P CA 0.443 63.439 63.100 -0.173 0.000 0.763 396 P CB -0.117 31.409 31.700 -0.291 0.000 0.835 397 Y N -0.101 120.102 120.300 -0.162 0.000 2.352 397 Y HA 0.430 4.980 4.550 -0.000 0.000 0.326 397 Y C 0.888 176.584 175.900 -0.340 0.000 1.166 397 Y CA -0.772 57.054 58.100 -0.457 0.000 1.182 397 Y CB 1.294 39.166 38.460 -0.980 0.000 1.216 397 Y HN -0.295 nan 8.280 nan 0.000 0.474 398 L N 3.632 124.740 121.223 -0.191 0.000 2.356 398 L HA 0.529 4.869 4.340 -0.000 0.000 0.277 398 L C -0.358 176.587 176.870 0.125 0.000 0.996 398 L CA -0.853 53.991 54.840 0.006 0.000 0.822 398 L CB 1.948 44.012 42.059 0.009 0.000 1.256 398 L HN 0.521 nan 8.230 nan 0.000 0.413 399 R N 2.467 123.162 120.500 0.325 0.000 2.265 399 R HA 0.666 5.006 4.340 -0.000 0.000 0.314 399 R C -0.676 175.813 176.300 0.315 0.000 1.053 399 R CA -0.300 56.035 56.100 0.392 0.000 0.931 399 R CB 1.286 31.708 30.300 0.204 0.000 1.024 399 R HN 0.731 nan 8.270 nan 0.000 0.457 400 A N 3.317 126.364 122.820 0.378 0.000 2.273 400 A HA 0.268 4.588 4.320 -0.000 0.000 0.315 400 A C -0.543 177.311 177.584 0.450 0.000 1.256 400 A CA -0.463 51.783 52.037 0.348 0.000 0.851 400 A CB 1.595 20.788 19.000 0.321 0.000 1.172 400 A HN 0.642 nan 8.150 nan 0.000 0.508 401 S N 1.801 117.724 115.700 0.372 0.000 2.465 401 S HA 0.445 4.915 4.470 -0.000 0.000 0.279 401 S C 0.208 174.893 174.600 0.141 0.000 1.201 401 S CA -0.456 57.834 58.200 0.152 0.000 1.053 401 S CB -0.367 62.889 63.200 0.093 0.000 0.953 401 S HN 0.912 nan 8.310 nan 0.000 0.488 402 F N 3.458 123.428 119.950 0.032 0.000 2.668 402 F HA 0.342 4.869 4.527 -0.000 0.000 0.297 402 F C 1.601 177.440 175.800 0.065 0.000 1.124 402 F CA -0.298 57.730 58.000 0.046 0.000 1.353 402 F CB -0.682 38.338 39.000 0.034 0.000 0.992 402 F HN 0.547 nan 8.300 nan 0.000 0.524 403 S N -1.060 114.648 115.700 0.013 0.000 2.428 403 S HA -0.060 4.409 4.470 -0.000 0.000 0.230 403 S C 1.582 176.327 174.600 0.243 0.000 1.014 403 S CA 1.448 59.758 58.200 0.182 0.000 0.957 403 S CB -0.307 62.954 63.200 0.102 0.000 0.784 403 S HN 0.409 nan 8.310 nan 0.000 0.499 404 S N -0.003 115.808 115.700 0.185 0.000 3.448 404 S HA 0.610 5.080 4.470 -0.000 0.000 0.254 404 S C 0.703 175.395 174.600 0.152 0.000 1.102 404 S CA 0.082 58.386 58.200 0.173 0.000 0.797 404 S CB -0.089 63.186 63.200 0.125 0.000 0.891 404 S HN 0.755 nan 8.310 nan 0.000 0.474 405 A N 2.547 125.445 122.820 0.131 0.000 2.448 405 A HA 0.537 4.857 4.320 -0.000 0.000 0.239 405 A C 0.546 178.189 177.584 0.098 0.000 1.080 405 A CA 0.010 52.112 52.037 0.107 0.000 0.779 405 A CB -0.015 19.049 19.000 0.106 0.000 1.026 405 A HN 0.563 nan 8.150 nan 0.000 0.499 406 S N 1.452 117.200 115.700 0.081 0.000 2.632 406 S HA 0.455 4.925 4.470 -0.000 0.000 0.271 406 S C -1.961 172.674 174.600 0.058 0.000 1.260 406 S CA -0.979 57.259 58.200 0.064 0.000 1.010 406 S CB 0.840 64.074 63.200 0.058 0.000 0.965 406 S HN 0.434 nan 8.310 nan 0.000 0.534 407 P HA -0.184 nan 4.420 nan 0.000 0.217 407 P C 1.116 178.454 177.300 0.064 0.000 1.162 407 P CA 1.602 64.725 63.100 0.039 0.000 0.901 407 P CB -0.076 31.633 31.700 0.014 0.000 0.793 408 E N -0.013 120.221 120.200 0.056 0.000 2.048 408 E HA -0.237 4.113 4.350 -0.000 0.000 0.202 408 E C 2.141 178.782 176.600 0.067 0.000 1.021 408 E CA 1.520 57.956 56.400 0.061 0.000 0.825 408 E CB -1.293 28.435 29.700 0.046 0.000 0.756 408 E HN 0.457 nan 8.360 nan 0.000 0.454 409 Q N -0.404 119.433 119.800 0.061 0.000 2.234 409 Q HA -0.090 4.250 4.340 -0.000 0.000 0.206 409 Q C 2.194 178.242 176.000 0.080 0.000 0.980 409 Q CA 1.262 57.100 55.803 0.057 0.000 0.869 409 Q CB -0.222 28.549 28.738 0.055 0.000 0.912 409 Q HN 0.368 nan 8.270 nan 0.000 0.436 410 M N 0.149 119.822 119.600 0.122 0.000 2.193 410 M HA -0.129 4.351 4.480 -0.000 0.000 0.265 410 M C 1.614 178.101 176.300 0.311 0.000 1.071 410 M CA 1.324 56.755 55.300 0.218 0.000 1.140 410 M CB -0.166 32.555 32.600 0.201 0.000 1.369 410 M HN 0.126 nan 8.290 nan 0.000 0.423 411 D N 0.200 120.739 120.400 0.231 0.000 2.116 411 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 411 D C 1.719 178.094 176.300 0.125 0.000 0.998 411 D CA 1.566 55.733 54.000 0.279 0.000 0.836 411 D CB 0.170 41.113 40.800 0.238 0.000 0.951 411 D HN 0.064 nan 8.370 nan 0.000 0.449 412 V N 0.765 120.703 119.914 0.040 0.000 2.244 412 V HA -0.210 3.910 4.120 -0.000 0.000 0.244 412 V C 2.584 178.601 176.094 -0.128 0.000 1.042 412 V CA 1.733 63.986 62.300 -0.079 0.000 1.006 412 V CB -1.231 30.565 31.823 -0.045 0.000 0.641 412 V HN 0.360 nan 8.190 nan 0.000 0.446 413 A N 0.029 122.802 122.820 -0.078 0.000 1.906 413 A HA -0.336 3.984 4.320 -0.000 0.000 0.222 413 A C 2.071 179.498 177.584 -0.261 0.000 1.282 413 A CA 2.811 54.748 52.037 -0.167 0.000 0.675 413 A CB -1.099 17.800 19.000 -0.168 0.000 0.838 413 A HN 0.500 nan 8.150 nan 0.000 0.469 414 F N -0.005 119.885 119.950 -0.100 0.000 2.206 414 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 414 F C 2.780 178.401 175.800 -0.298 0.000 1.090 414 F CA 1.689 59.639 58.000 -0.083 0.000 1.323 414 F CB -0.378 38.676 39.000 0.091 0.000 1.028 414 F HN 0.507 nan 8.300 nan 0.000 0.492 415 Q N 0.353 119.755 119.800 -0.664 0.000 2.124 415 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 415 Q C 1.714 177.363 176.000 -0.585 0.000 0.977 415 Q CA 2.062 57.076 55.803 -1.314 0.000 0.850 415 Q CB -1.130 26.321 28.738 -2.145 0.000 0.901 415 Q HN 0.271 nan 8.270 nan 0.000 0.429 416 V N 0.620 120.312 119.914 -0.370 0.000 2.488 416 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 416 V C 2.247 178.244 176.094 -0.161 0.000 1.046 416 V CA 1.400 63.562 62.300 -0.231 0.000 1.053 416 V CB -0.464 31.252 31.823 -0.179 0.000 0.679 416 V HN 0.533 nan 8.190 nan 0.000 0.458 417 L N 0.436 121.562 121.223 -0.162 0.000 2.141 417 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 417 L C 2.363 179.207 176.870 -0.042 0.000 1.094 417 L CA 2.315 57.083 54.840 -0.120 0.000 0.763 417 L CB -0.759 41.178 42.059 -0.204 0.000 0.908 417 L HN 0.364 nan 8.230 nan 0.000 0.437 418 A N -0.847 121.973 122.820 -0.001 0.000 1.975 418 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 418 A C 2.138 179.744 177.584 0.037 0.000 1.170 418 A CA 0.914 52.997 52.037 0.077 0.000 0.656 418 A CB -0.455 18.671 19.000 0.209 0.000 0.821 418 A HN 0.571 nan 8.150 nan 0.000 0.449 419 Q N 0.080 119.864 119.800 -0.026 0.000 2.226 419 Q HA -0.106 4.234 4.340 -0.000 0.000 0.204 419 Q C 1.704 177.693 176.000 -0.019 0.000 0.975 419 Q CA 1.422 57.209 55.803 -0.025 0.000 0.866 419 Q CB -0.171 28.527 28.738 -0.067 0.000 0.915 419 Q HN 0.674 nan 8.270 nan 0.000 0.440 420 L N -0.197 121.009 121.223 -0.028 0.000 2.127 420 L HA -0.042 4.298 4.340 -0.000 0.000 0.203 420 L C 2.512 179.377 176.870 -0.009 0.000 1.080 420 L CA 0.317 55.143 54.840 -0.023 0.000 0.768 420 L CB -0.309 41.729 42.059 -0.035 0.000 0.924 420 L HN 0.105 nan 8.230 nan 0.000 0.444 421 I N 0.223 120.792 120.570 -0.002 0.000 2.113 421 I HA -0.398 3.772 4.170 -0.000 0.000 0.242 421 I C 2.590 178.717 176.117 0.016 0.000 1.064 421 I CA 1.707 63.014 61.300 0.011 0.000 1.320 421 I CB -0.364 37.654 38.000 0.030 0.000 1.028 421 I HN 0.249 nan 8.210 nan 0.000 0.406 422 K N 0.452 120.868 120.400 0.026 0.000 2.057 422 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 422 K C 2.002 178.611 176.600 0.015 0.000 1.049 422 K CA 1.537 57.840 56.287 0.027 0.000 0.931 422 K CB -0.128 32.396 32.500 0.040 0.000 0.714 422 K HN 0.328 nan 8.250 nan 0.000 0.440 423 E N 0.132 120.337 120.200 0.007 0.000 2.204 423 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 423 E C 0.983 177.583 176.600 -0.000 0.000 0.990 423 E CA 0.943 57.344 56.400 0.002 0.000 0.821 423 E CB 0.182 29.880 29.700 -0.004 0.000 0.750 423 E HN 0.100 nan 8.360 nan 0.000 0.477 424 S N 0.440 116.140 115.700 -0.001 0.000 2.743 424 S HA 0.140 4.610 4.470 -0.000 0.000 0.230 424 S C 0.496 175.095 174.600 -0.002 0.000 0.950 424 S CA -0.015 58.184 58.200 -0.003 0.000 0.976 424 S CB 0.106 63.302 63.200 -0.006 0.000 0.779 424 S HN 0.114 nan 8.310 nan 0.000 0.487 425 L N 0.000 121.224 121.223 0.001 0.000 2.949 425 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 425 L CA 0.000 54.840 54.840 0.001 0.000 0.813 425 L CB 0.000 42.062 42.059 0.005 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502