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 1pky_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKKTKIVCTI GPKTESEEML AKMLDAGMNV MRLNFSHGDY AEHGQRIQNL DATA SEQUENCE RNVMSKTGKT AAILLDTKGP EIRTMKLEGG NDVSLKAGQT FTFTTDKSVI DATA SEQUENCE GNSEMVAVTY EGFTTDLSVG NTVLVDDGLI GMEVTAIEGN KVICKVLNNG DATA SEQUENCE DLGENKGVNL PGVSIALPAL AEKDKQDLIF GCEQGVDFVA ASFIRKRSDV DATA SEQUENCE IEIREHLKAH GGENIHIISK IENQEGLNNF DEILEASDGI MVARGDLGVE DATA SEQUENCE IPVEEVIFAQ KMMIEKCIRA RKVVITATMM LDSMIKNPRP TRAEAGDVAN DATA SEQUENCE AILDGTDAVM LSGESAKGKY PLEAVSIMAT ICERTDRVMN SRLEXXXXXX DATA SEQUENCE KLRITEAVCR GAVETAEKLD APLIVVATQG GKSARAVRKY FPDATILALT DATA SEQUENCE TNEKTAHQLV LSKGVVPQLV KEITSTDDFY RLGKELALQS GLAHKGDVVV DATA SEQUENCE MVSGALVPSG TTNTASVHVL 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 0.000 176.318 176.300 0.030 0.000 1.140 1 M CA 0.000 55.317 55.300 0.029 0.000 0.988 1 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2 K N 2.846 123.263 120.400 0.028 0.000 2.524 2 K HA 0.096 4.416 4.320 -0.000 0.000 0.279 2 K C -0.032 176.586 176.600 0.030 0.000 0.993 2 K CA 0.632 56.936 56.287 0.029 0.000 1.030 2 K CB 0.789 33.304 32.500 0.025 0.000 0.891 2 K HN 0.677 nan 8.250 nan 0.000 0.488 3 K N 1.343 121.763 120.400 0.034 0.000 2.276 3 K HA -0.021 4.298 4.320 -0.000 0.000 0.198 3 K C 0.572 177.186 176.600 0.023 0.000 1.052 3 K CA 0.661 56.967 56.287 0.031 0.000 0.984 3 K CB 0.528 33.053 32.500 0.041 0.000 0.836 3 K HN 0.876 nan 8.250 nan 0.000 0.490 4 T N 1.309 115.880 114.554 0.029 0.000 2.897 4 T HA 0.160 4.510 4.350 -0.000 0.000 0.294 4 T C -0.088 174.620 174.700 0.014 0.000 1.004 4 T CA -0.730 61.382 62.100 0.020 0.000 1.106 4 T CB 0.894 69.779 68.868 0.029 0.000 0.949 4 T HN -0.219 nan 8.240 nan 0.000 0.520 5 K N 3.612 124.016 120.400 0.005 0.000 2.118 5 K HA 0.493 4.812 4.320 -0.000 0.000 0.267 5 K C -0.230 176.371 176.600 0.001 0.000 0.991 5 K CA -0.632 55.658 56.287 0.004 0.000 0.916 5 K CB 1.340 33.838 32.500 -0.003 0.000 1.041 5 K HN 0.671 nan 8.250 nan 0.000 0.455 6 I N 1.947 122.521 120.570 0.007 0.000 2.355 6 I HA 0.160 4.330 4.170 -0.000 0.000 0.288 6 I C -0.384 175.737 176.117 0.007 0.000 0.999 6 I CA -1.121 60.183 61.300 0.007 0.000 1.163 6 I CB 1.691 39.699 38.000 0.013 0.000 1.316 6 I HN 0.021 nan 8.210 nan 0.000 0.454 7 V N 5.705 125.618 119.914 -0.001 0.000 2.406 7 V HA 0.234 4.354 4.120 -0.000 0.000 0.272 7 V C -0.125 175.978 176.094 0.015 0.000 1.043 7 V CA -0.306 61.995 62.300 0.003 0.000 0.915 7 V CB 1.089 32.904 31.823 -0.014 0.000 0.988 7 V HN 0.792 nan 8.190 nan 0.000 0.466 8 C N 3.625 122.939 119.300 0.024 0.000 2.345 8 C HA 0.477 4.936 4.460 -0.000 0.000 0.323 8 C C 0.806 175.817 174.990 0.035 0.000 1.276 8 C CA -0.625 58.409 59.018 0.027 0.000 1.543 8 C CB 1.144 28.900 27.740 0.026 0.000 2.211 8 C HN 0.867 nan 8.230 nan 0.000 0.493 9 T N 5.341 119.914 114.554 0.033 0.000 2.738 9 T HA 0.238 4.587 4.350 -0.000 0.000 0.294 9 T C 0.357 175.075 174.700 0.031 0.000 0.914 9 T CA -0.004 62.120 62.100 0.040 0.000 1.052 9 T CB -0.222 68.669 68.868 0.038 0.000 0.897 9 T HN 0.378 nan 8.240 nan 0.000 0.522 10 I N 3.728 124.321 120.570 0.037 0.000 2.416 10 I HA 0.390 4.560 4.170 -0.000 0.000 0.288 10 I C 1.086 177.204 176.117 0.003 0.000 1.051 10 I CA 0.107 61.420 61.300 0.021 0.000 1.375 10 I CB 0.653 38.671 38.000 0.030 0.000 1.407 10 I HN 0.678 nan 8.210 nan 0.000 0.516 11 G N 7.219 116.006 108.800 -0.021 0.000 3.209 11 G HA2 0.533 4.493 3.960 -0.000 0.000 0.236 11 G HA3 0.533 4.493 3.960 -0.000 0.000 0.236 11 G C -2.393 172.469 174.900 -0.065 0.000 1.329 11 G CA -0.615 44.454 45.100 -0.052 0.000 1.015 11 G HN 0.326 nan 8.290 nan 0.000 0.571 12 P HA 0.133 nan 4.420 nan 0.000 0.231 12 P C 1.405 178.671 177.300 -0.057 0.000 1.168 12 P CA 0.736 63.790 63.100 -0.076 0.000 0.779 12 P CB 0.335 31.982 31.700 -0.088 0.000 0.844 13 K N -0.208 120.160 120.400 -0.054 0.000 2.362 13 K HA -0.044 4.276 4.320 -0.000 0.000 0.200 13 K C 1.098 177.677 176.600 -0.035 0.000 1.046 13 K CA 1.606 57.865 56.287 -0.047 0.000 0.952 13 K CB -0.145 32.324 32.500 -0.052 0.000 0.753 13 K HN 0.203 nan 8.250 nan 0.000 0.466 14 T N -3.366 111.170 114.554 -0.029 0.000 3.016 14 T HA 0.029 4.379 4.350 -0.000 0.000 0.271 14 T C 1.089 175.781 174.700 -0.013 0.000 0.968 14 T CA -0.159 61.931 62.100 -0.016 0.000 0.891 14 T CB 0.133 68.997 68.868 -0.007 0.000 1.149 14 T HN 0.331 nan 8.240 nan 0.000 0.524 15 E N 2.504 122.691 120.200 -0.022 0.000 2.472 15 E HA -0.006 4.343 4.350 -0.000 0.000 0.200 15 E C 0.465 177.060 176.600 -0.009 0.000 1.046 15 E CA 0.296 56.686 56.400 -0.017 0.000 0.871 15 E CB -0.424 29.254 29.700 -0.037 0.000 0.806 15 E HN 0.536 nan 8.360 nan 0.000 0.533 16 S N 0.971 116.665 115.700 -0.010 0.000 2.579 16 S HA 0.027 4.497 4.470 -0.000 0.000 0.275 16 S C 0.727 175.327 174.600 0.001 0.000 1.345 16 S CA -0.508 57.688 58.200 -0.006 0.000 1.031 16 S CB 1.394 64.589 63.200 -0.008 0.000 0.892 16 S HN 0.217 nan 8.310 nan 0.000 0.529 17 E N 0.880 121.082 120.200 0.003 0.000 2.106 17 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 17 E C 1.615 178.219 176.600 0.006 0.000 0.984 17 E CA 0.992 57.396 56.400 0.006 0.000 0.806 17 E CB -0.005 29.700 29.700 0.007 0.000 0.750 17 E HN 0.614 nan 8.360 nan 0.000 0.458 18 E N 0.181 120.384 120.200 0.004 0.000 2.208 18 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 18 E C 1.872 178.475 176.600 0.005 0.000 0.988 18 E CA 0.769 57.172 56.400 0.005 0.000 0.828 18 E CB -0.119 29.583 29.700 0.002 0.000 0.763 18 E HN 0.241 nan 8.360 nan 0.000 0.478 19 M N 0.216 119.818 119.600 0.003 0.000 2.357 19 M HA 0.066 4.546 4.480 -0.000 0.000 0.266 19 M C 1.962 178.267 176.300 0.008 0.000 1.095 19 M CA 0.842 56.145 55.300 0.004 0.000 1.156 19 M CB 0.063 32.662 32.600 -0.001 0.000 1.365 19 M HN -0.027 nan 8.290 nan 0.000 0.447 20 L N -0.158 121.070 121.223 0.009 0.000 2.083 20 L HA -0.120 4.219 4.340 -0.000 0.000 0.209 20 L C 2.562 179.441 176.870 0.015 0.000 1.083 20 L CA 1.162 56.010 54.840 0.013 0.000 0.752 20 L CB -1.027 41.041 42.059 0.014 0.000 0.899 20 L HN 0.427 nan 8.230 nan 0.000 0.433 21 A N -0.095 122.733 122.820 0.014 0.000 1.933 21 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 21 A C 2.322 179.915 177.584 0.016 0.000 1.175 21 A CA 1.567 53.613 52.037 0.015 0.000 0.628 21 A CB -0.302 18.706 19.000 0.013 0.000 0.814 21 A HN 0.314 nan 8.150 nan 0.000 0.444 22 K N -0.931 119.478 120.400 0.014 0.000 2.097 22 K HA -0.007 4.312 4.320 -0.000 0.000 0.205 22 K C 2.069 178.680 176.600 0.018 0.000 1.050 22 K CA 1.376 57.672 56.287 0.016 0.000 0.938 22 K CB -0.230 32.279 32.500 0.014 0.000 0.718 22 K HN 0.511 nan 8.250 nan 0.000 0.442 23 M N 0.615 120.226 119.600 0.018 0.000 2.132 23 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 23 M C 2.167 178.480 176.300 0.022 0.000 1.065 23 M CA 1.447 56.760 55.300 0.020 0.000 1.122 23 M CB -0.450 32.162 32.600 0.020 0.000 1.365 23 M HN 0.122 nan 8.290 nan 0.000 0.411 24 L N 0.057 121.293 121.223 0.022 0.000 2.127 24 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 24 L C 1.808 178.692 176.870 0.023 0.000 1.089 24 L CA 0.953 55.808 54.840 0.024 0.000 0.757 24 L CB -0.740 41.334 42.059 0.025 0.000 0.899 24 L HN 0.281 nan 8.230 nan 0.000 0.434 25 D N -0.094 120.319 120.400 0.021 0.000 2.234 25 D HA -0.051 4.588 4.640 -0.000 0.000 0.205 25 D C 2.091 178.403 176.300 0.020 0.000 0.962 25 D CA 1.170 55.182 54.000 0.020 0.000 0.855 25 D CB 0.190 41.001 40.800 0.018 0.000 0.951 25 D HN 0.267 nan 8.370 nan 0.000 0.500 26 A N -0.628 122.204 122.820 0.020 0.000 2.169 26 A HA 0.424 4.743 4.320 -0.000 0.000 0.212 26 A C 1.669 179.265 177.584 0.020 0.000 1.153 26 A CA 1.216 53.264 52.037 0.020 0.000 0.756 26 A CB 0.169 19.181 19.000 0.021 0.000 0.813 26 A HN 0.257 nan 8.150 nan 0.000 0.471 27 G N -1.718 107.095 108.800 0.021 0.000 2.234 27 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.153 27 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.153 27 G C 0.191 175.104 174.900 0.022 0.000 1.013 27 G CA -0.013 45.100 45.100 0.022 0.000 0.712 27 G HN 0.504 nan 8.290 nan 0.000 0.491 28 M N 0.797 120.411 119.600 0.023 0.000 2.249 28 M HA 0.340 4.820 4.480 -0.000 0.000 0.340 28 M C 0.944 177.262 176.300 0.029 0.000 1.166 28 M CA 1.019 56.334 55.300 0.025 0.000 1.115 28 M CB 0.245 32.861 32.600 0.025 0.000 1.606 28 M HN 0.215 nan 8.290 nan 0.000 0.448 29 N N 2.228 120.945 118.700 0.029 0.000 2.503 29 N HA 0.202 4.942 4.740 -0.000 0.000 0.210 29 N C -1.054 174.484 175.510 0.047 0.000 1.077 29 N CA -0.185 52.887 53.050 0.038 0.000 0.855 29 N CB 0.998 39.505 38.487 0.033 0.000 1.323 29 N HN 0.405 nan 8.380 nan 0.000 0.452 30 V N 1.666 121.603 119.914 0.038 0.000 2.656 30 V HA 0.353 4.473 4.120 -0.000 0.000 0.307 30 V C -0.889 175.235 176.094 0.049 0.000 1.051 30 V CA -0.616 61.714 62.300 0.050 0.000 0.893 30 V CB 2.243 34.081 31.823 0.023 0.000 0.999 30 V HN 0.217 nan 8.190 nan 0.000 0.426 31 M N 5.430 125.068 119.600 0.064 0.000 2.080 31 M HA 0.491 4.970 4.480 -0.000 0.000 0.350 31 M C -0.194 176.159 176.300 0.087 0.000 1.173 31 M CA -0.488 54.852 55.300 0.066 0.000 1.052 31 M CB 0.643 33.282 32.600 0.064 0.000 1.577 31 M HN 0.785 nan 8.290 nan 0.000 0.455 32 R N 5.973 126.522 120.500 0.081 0.000 2.294 32 R HA 0.559 4.899 4.340 -0.000 0.000 0.319 32 R C -1.782 174.589 176.300 0.119 0.000 0.984 32 R CA -0.538 55.622 56.100 0.100 0.000 0.861 32 R CB 0.933 31.279 30.300 0.077 0.000 1.104 32 R HN 0.780 nan 8.270 nan 0.000 0.451 33 L N 4.477 125.795 121.223 0.159 0.000 2.276 33 L HA 0.276 4.616 4.340 -0.000 0.000 0.286 33 L C -0.273 176.681 176.870 0.140 0.000 1.024 33 L CA -0.895 54.044 54.840 0.164 0.000 0.826 33 L CB 1.347 43.545 42.059 0.232 0.000 1.211 33 L HN 0.649 nan 8.230 nan 0.000 0.422 34 N N 3.199 121.959 118.700 0.101 0.000 2.482 34 N HA 0.118 4.857 4.740 -0.000 0.000 0.242 34 N C 0.097 175.631 175.510 0.040 0.000 1.100 34 N CA -0.163 52.953 53.050 0.111 0.000 0.946 34 N CB 0.261 38.818 38.487 0.115 0.000 1.227 34 N HN 0.313 nan 8.380 nan 0.000 0.508 35 F N 1.115 121.038 119.950 -0.044 0.000 2.716 35 F HA 0.015 4.542 4.527 -0.000 0.000 0.301 35 F C 2.111 177.882 175.800 -0.048 0.000 1.210 35 F CA 0.034 57.975 58.000 -0.098 0.000 1.422 35 F CB -0.155 38.764 39.000 -0.135 0.000 1.073 35 F HN 0.515 nan 8.300 nan 0.000 0.525 36 S N -1.677 114.084 115.700 0.100 0.000 2.603 36 S HA 0.066 4.536 4.470 -0.000 0.000 0.220 36 S C 0.206 174.646 174.600 -0.267 0.000 0.967 36 S CA 0.287 58.464 58.200 -0.039 0.000 0.920 36 S CB -0.344 62.862 63.200 0.010 0.000 0.773 36 S HN 0.435 nan 8.310 nan 0.000 0.529 37 H N -1.603 117.473 119.070 0.010 0.000 2.990 37 H HA 0.635 5.191 4.556 -0.000 0.000 0.336 37 H C 0.304 175.621 175.328 -0.018 0.000 1.306 37 H CA 0.005 56.042 56.048 -0.019 0.000 1.118 37 H CB 1.271 31.016 29.762 -0.027 0.000 1.856 37 H HN 0.449 nan 8.280 nan 0.000 0.538 38 G N 0.547 109.386 108.800 0.066 0.000 2.685 38 G HA2 0.115 4.075 3.960 -0.000 0.000 0.387 38 G HA3 0.115 4.075 3.960 -0.000 0.000 0.387 38 G C -1.382 173.438 174.900 -0.133 0.000 1.324 38 G CA -0.150 44.897 45.100 -0.089 0.000 0.878 38 G HN 0.962 nan 8.290 nan 0.000 0.527 39 D N -1.997 118.268 120.400 -0.224 0.000 2.579 39 D HA 0.473 5.112 4.640 -0.000 0.000 0.257 39 D C 0.478 176.680 176.300 -0.163 0.000 1.176 39 D CA -0.814 53.037 54.000 -0.248 0.000 0.914 39 D CB 0.656 41.332 40.800 -0.207 0.000 1.431 39 D HN 0.264 nan 8.370 nan 0.000 0.454 40 Y N 0.308 120.543 120.300 -0.108 0.000 2.293 40 Y HA 0.057 4.606 4.550 -0.000 0.000 0.291 40 Y C 2.635 178.493 175.900 -0.070 0.000 1.137 40 Y CA 1.300 59.200 58.100 -0.333 0.000 1.202 40 Y CB -1.010 37.217 38.460 -0.388 0.000 0.990 40 Y HN 0.624 nan 8.280 nan 0.000 0.537 41 A N -0.044 122.846 122.820 0.117 0.000 1.902 41 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 41 A C 2.190 179.813 177.584 0.066 0.000 1.181 41 A CA 1.724 53.828 52.037 0.110 0.000 0.623 41 A CB -0.549 18.486 19.000 0.057 0.000 0.818 41 A HN 0.465 nan 8.150 nan 0.000 0.443 42 E N -1.120 119.056 120.200 -0.040 0.000 2.028 42 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 42 E C 2.013 178.540 176.600 -0.123 0.000 0.988 42 E CA 1.098 57.417 56.400 -0.135 0.000 0.799 42 E CB -0.274 29.248 29.700 -0.296 0.000 0.755 42 E HN 0.703 nan 8.360 nan 0.000 0.447 43 H N -0.493 118.572 119.070 -0.008 0.000 2.387 43 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 43 H C 2.218 177.741 175.328 0.326 0.000 1.090 43 H CA 1.322 57.427 56.048 0.095 0.000 1.332 43 H CB -0.535 29.240 29.762 0.021 0.000 1.386 43 H HN 0.276 nan 8.280 nan 0.000 0.516 44 G N 0.623 109.774 108.800 0.586 0.000 2.476 44 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.218 44 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.218 44 G C 1.797 176.835 174.900 0.229 0.000 1.164 44 G CA 1.217 46.606 45.100 0.482 0.000 0.768 44 G HN 0.336 nan 8.290 nan 0.000 0.560 45 Q N 0.313 120.204 119.800 0.152 0.000 2.079 45 Q HA 0.050 4.389 4.340 -0.000 0.000 0.200 45 Q C 2.705 178.744 176.000 0.066 0.000 0.974 45 Q CA 1.140 56.991 55.803 0.080 0.000 0.840 45 Q CB -0.259 28.502 28.738 0.039 0.000 0.898 45 Q HN 0.454 nan 8.270 nan 0.000 0.430 46 R N -0.180 120.359 120.500 0.066 0.000 2.105 46 R HA -0.127 4.213 4.340 -0.000 0.000 0.239 46 R C 2.282 178.631 176.300 0.081 0.000 1.135 46 R CA 1.561 57.695 56.100 0.057 0.000 0.967 46 R CB -0.507 29.825 30.300 0.053 0.000 0.861 46 R HN 0.386 nan 8.270 nan 0.000 0.442 47 I N 0.495 121.137 120.570 0.121 0.000 2.163 47 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 47 I C 2.664 178.808 176.117 0.045 0.000 1.081 47 I CA 1.176 62.529 61.300 0.089 0.000 1.353 47 I CB -0.369 37.694 38.000 0.104 0.000 1.054 47 I HN 0.089 nan 8.210 nan 0.000 0.407 48 Q N 1.515 121.345 119.800 0.050 0.000 2.112 48 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 48 Q C 1.877 177.891 176.000 0.022 0.000 0.987 48 Q CA 1.962 57.783 55.803 0.031 0.000 0.858 48 Q CB -0.336 28.425 28.738 0.038 0.000 0.905 48 Q HN 0.394 nan 8.270 nan 0.000 0.420 49 N N -0.211 118.505 118.700 0.026 0.000 2.036 49 N HA -0.184 4.556 4.740 -0.000 0.000 0.195 49 N C 1.555 177.074 175.510 0.015 0.000 1.037 49 N CA 1.418 54.480 53.050 0.019 0.000 0.855 49 N CB -0.657 37.841 38.487 0.018 0.000 1.033 49 N HN 0.279 nan 8.380 nan 0.000 0.423 50 L N 1.269 122.502 121.223 0.017 0.000 2.017 50 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 50 L C 2.197 179.067 176.870 -0.001 0.000 1.073 50 L CA 1.620 56.466 54.840 0.010 0.000 0.745 50 L CB -0.463 41.604 42.059 0.012 0.000 0.894 50 L HN -0.026 nan 8.230 nan 0.000 0.432 51 R N -0.381 120.114 120.500 -0.008 0.000 2.127 51 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 51 R C 2.050 178.350 176.300 -0.000 0.000 1.134 51 R CA 1.303 57.393 56.100 -0.017 0.000 0.975 51 R CB -0.346 29.942 30.300 -0.021 0.000 0.865 51 R HN 0.460 nan 8.270 nan 0.000 0.447 52 N N -0.682 118.021 118.700 0.006 0.000 2.135 52 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 52 N C 1.647 177.164 175.510 0.011 0.000 1.027 52 N CA 1.282 54.338 53.050 0.010 0.000 0.849 52 N CB -0.277 38.217 38.487 0.011 0.000 1.002 52 N HN -0.008 nan 8.380 nan 0.000 0.425 53 V N 1.603 121.524 119.914 0.012 0.000 2.295 53 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 53 V C 2.300 178.404 176.094 0.017 0.000 1.049 53 V CA 1.416 63.725 62.300 0.014 0.000 1.024 53 V CB -0.494 31.337 31.823 0.014 0.000 0.648 53 V HN 0.262 nan 8.190 nan 0.000 0.447 54 M N -0.336 119.273 119.600 0.016 0.000 2.108 54 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 54 M C 2.507 178.824 176.300 0.028 0.000 1.066 54 M CA 2.110 57.425 55.300 0.025 0.000 1.107 54 M CB -0.531 32.081 32.600 0.021 0.000 1.356 54 M HN 0.363 nan 8.290 nan 0.000 0.406 55 S N 0.073 115.786 115.700 0.022 0.000 2.368 55 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 55 S C 1.859 176.470 174.600 0.018 0.000 1.029 55 S CA 1.450 59.663 58.200 0.022 0.000 0.988 55 S CB -0.016 63.194 63.200 0.017 0.000 0.838 55 S HN 0.286 nan 8.310 nan 0.000 0.462 56 K N 0.008 120.417 120.400 0.016 0.000 2.148 56 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 56 K C 2.140 178.749 176.600 0.015 0.000 1.050 56 K CA 1.668 57.964 56.287 0.014 0.000 0.942 56 K CB -0.049 32.459 32.500 0.013 0.000 0.724 56 K HN 0.639 nan 8.250 nan 0.000 0.446 57 T N -5.563 109.002 114.554 0.018 0.000 3.038 57 T HA 0.219 4.569 4.350 -0.000 0.000 0.244 57 T C 1.426 176.139 174.700 0.021 0.000 1.016 57 T CA 0.412 62.523 62.100 0.019 0.000 1.098 57 T CB 0.656 69.536 68.868 0.020 0.000 0.954 57 T HN 0.190 nan 8.240 nan 0.000 0.469 58 G N 1.868 110.683 108.800 0.025 0.000 2.141 58 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.242 58 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.242 58 G C -0.094 174.826 174.900 0.033 0.000 0.982 58 G CA 0.084 45.201 45.100 0.028 0.000 0.662 58 G HN 0.725 nan 8.290 nan 0.000 0.527 59 K N 0.850 121.271 120.400 0.035 0.000 2.258 59 K HA 0.536 4.856 4.320 -0.000 0.000 0.264 59 K C 0.485 177.121 176.600 0.060 0.000 1.007 59 K CA 0.306 56.618 56.287 0.042 0.000 0.941 59 K CB 0.632 33.154 32.500 0.036 0.000 0.966 59 K HN 0.139 nan 8.250 nan 0.000 0.480 60 T N 0.578 115.176 114.554 0.073 0.000 2.929 60 T HA 0.684 5.034 4.350 -0.000 0.000 0.284 60 T C -0.684 174.081 174.700 0.108 0.000 1.014 60 T CA -0.844 61.328 62.100 0.120 0.000 1.051 60 T CB 1.620 70.562 68.868 0.124 0.000 1.028 60 T HN 0.662 nan 8.240 nan 0.000 0.485 61 A N 0.899 123.796 122.820 0.128 0.000 2.604 61 A HA 0.842 5.162 4.320 -0.000 0.000 0.295 61 A C -1.008 176.619 177.584 0.071 0.000 1.067 61 A CA -0.828 51.258 52.037 0.082 0.000 0.683 61 A CB 0.998 20.021 19.000 0.038 0.000 1.281 61 A HN 1.124 nan 8.150 nan 0.000 0.407 62 A N 0.673 123.558 122.820 0.107 0.000 2.299 62 A HA 0.877 5.197 4.320 -0.000 0.000 0.332 62 A C -0.615 177.036 177.584 0.111 0.000 1.131 62 A CA -0.529 51.595 52.037 0.146 0.000 0.844 62 A CB 0.568 19.768 19.000 0.333 0.000 1.251 62 A HN 0.875 nan 8.150 nan 0.000 0.486 63 I N 1.266 121.909 120.570 0.121 0.000 2.439 63 I HA 0.358 4.528 4.170 -0.000 0.000 0.285 63 I C -0.978 175.253 176.117 0.191 0.000 1.021 63 I CA -0.262 61.106 61.300 0.114 0.000 1.091 63 I CB 1.588 39.616 38.000 0.047 0.000 1.242 63 I HN 0.568 nan 8.210 nan 0.000 0.439 64 L N 7.385 128.727 121.223 0.197 0.000 2.313 64 L HA 0.589 4.929 4.340 -0.000 0.000 0.283 64 L C -1.346 175.643 176.870 0.198 0.000 1.013 64 L CA -0.515 54.459 54.840 0.224 0.000 0.816 64 L CB 1.788 43.946 42.059 0.165 0.000 1.236 64 L HN 0.588 nan 8.230 nan 0.000 0.419 65 L N 5.143 126.486 121.223 0.199 0.000 2.280 65 L HA 0.435 4.774 4.340 -0.000 0.000 0.287 65 L C -0.856 176.119 176.870 0.176 0.000 1.023 65 L CA -0.389 54.582 54.840 0.217 0.000 0.819 65 L CB 1.013 43.166 42.059 0.156 0.000 1.212 65 L HN 0.634 nan 8.230 nan 0.000 0.420 66 D N 3.670 124.192 120.400 0.204 0.000 2.317 66 D HA 0.117 4.756 4.640 -0.000 0.000 0.234 66 D C -0.107 176.283 176.300 0.151 0.000 1.112 66 D CA -0.127 53.965 54.000 0.153 0.000 0.840 66 D CB 1.490 42.373 40.800 0.138 0.000 1.078 66 D HN 0.563 nan 8.370 nan 0.000 0.486 67 T N 1.040 115.647 114.554 0.089 0.000 2.918 67 T HA 0.077 4.427 4.350 -0.000 0.000 0.302 67 T C 1.179 175.915 174.700 0.059 0.000 1.045 67 T CA -0.343 61.791 62.100 0.056 0.000 1.114 67 T CB 1.639 70.515 68.868 0.013 0.000 0.965 67 T HN 0.404 nan 8.240 nan 0.000 0.540 68 K N 2.233 122.659 120.400 0.043 0.000 2.155 68 K HA 0.146 4.466 4.320 -0.000 0.000 0.203 68 K C 1.201 177.793 176.600 -0.013 0.000 1.052 68 K CA 0.853 57.148 56.287 0.014 0.000 0.948 68 K CB -0.984 31.511 32.500 -0.010 0.000 0.728 68 K HN 1.137 nan 8.250 nan 0.000 0.448 69 G N 1.739 110.529 108.800 -0.016 0.000 2.915 69 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.337 69 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.337 69 G C -2.551 172.301 174.900 -0.081 0.000 1.477 69 G CA -0.372 44.714 45.100 -0.023 0.000 0.916 69 G HN 0.239 nan 8.290 nan 0.000 0.550 70 P HA 0.252 nan 4.420 nan 0.000 0.268 70 P C -0.268 176.837 177.300 -0.326 0.000 1.204 70 P CA 0.665 63.657 63.100 -0.180 0.000 0.768 70 P CB 0.923 32.541 31.700 -0.137 0.000 0.842 71 E N 1.999 122.037 120.200 -0.269 0.000 2.393 71 E HA 0.529 4.879 4.350 -0.000 0.000 0.273 71 E C -0.617 175.864 176.600 -0.199 0.000 0.918 71 E CA -0.938 55.303 56.400 -0.266 0.000 0.773 71 E CB 2.086 31.681 29.700 -0.175 0.000 1.275 71 E HN 0.387 nan 8.360 nan 0.000 0.451 72 I N 2.222 122.700 120.570 -0.154 0.000 2.382 72 I HA 0.351 4.521 4.170 -0.000 0.000 0.286 72 I C -0.165 175.914 176.117 -0.062 0.000 1.002 72 I CA -0.648 60.622 61.300 -0.050 0.000 1.135 72 I CB 0.962 38.994 38.000 0.053 0.000 1.288 72 I HN 0.124 nan 8.210 nan 0.000 0.448 73 R N 3.580 124.050 120.500 -0.049 0.000 2.532 73 R HA 0.472 4.812 4.340 -0.000 0.000 0.295 73 R C -0.088 176.189 176.300 -0.039 0.000 0.968 73 R CA -0.635 55.440 56.100 -0.041 0.000 0.916 73 R CB 2.105 32.388 30.300 -0.029 0.000 1.124 73 R HN 0.657 nan 8.270 nan 0.000 0.463 74 T N -0.309 114.242 114.554 -0.004 0.000 2.860 74 T HA 0.303 4.653 4.350 -0.000 0.000 0.299 74 T C 1.204 175.926 174.700 0.036 0.000 1.045 74 T CA -0.366 61.767 62.100 0.055 0.000 1.071 74 T CB 0.903 69.859 68.868 0.147 0.000 0.985 74 T HN 0.411 nan 8.240 nan 0.000 0.537 75 M N 0.620 120.244 119.600 0.041 0.000 2.318 75 M HA 0.442 4.922 4.480 -0.000 0.000 0.214 75 M C 0.354 176.669 176.300 0.025 0.000 0.737 75 M CA -0.787 54.527 55.300 0.023 0.000 1.877 75 M CB 0.185 32.793 32.600 0.014 0.000 1.115 75 M HN 0.428 nan 8.290 nan 0.000 0.908 76 K N 0.785 121.195 120.400 0.017 0.000 2.098 76 K HA 0.682 5.002 4.320 -0.000 0.000 0.258 76 K C -1.157 175.453 176.600 0.016 0.000 0.973 76 K CA -0.323 55.972 56.287 0.014 0.000 0.898 76 K CB 1.522 34.026 32.500 0.007 0.000 1.057 76 K HN 0.310 nan 8.250 nan 0.000 0.447 77 L N 1.161 122.394 121.223 0.016 0.000 2.313 77 L HA 0.325 4.665 4.340 -0.000 0.000 0.268 77 L C 0.192 177.067 176.870 0.008 0.000 1.010 77 L CA -0.934 53.916 54.840 0.017 0.000 0.814 77 L CB 1.549 43.624 42.059 0.026 0.000 1.304 77 L HN 0.695 nan 8.230 nan 0.000 0.441 78 E N 0.988 121.190 120.200 0.004 0.000 2.585 78 E HA 0.027 4.377 4.350 -0.000 0.000 0.252 78 E C 0.959 177.560 176.600 0.001 0.000 0.981 78 E CA 0.653 57.052 56.400 -0.001 0.000 0.943 78 E CB 0.263 29.961 29.700 -0.004 0.000 0.923 78 E HN 0.772 nan 8.360 nan 0.000 0.486 79 G N 3.352 112.151 108.800 -0.000 0.000 2.200 79 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.267 79 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.267 79 G C 0.944 175.845 174.900 0.002 0.000 0.993 79 G CA 0.512 45.612 45.100 -0.000 0.000 0.701 79 G HN 1.781 nan 8.290 nan 0.000 0.524 80 G N -1.439 107.363 108.800 0.003 0.000 2.179 80 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.257 80 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.257 80 G C 0.120 175.023 174.900 0.006 0.000 1.010 80 G CA 0.560 45.663 45.100 0.005 0.000 0.736 80 G HN 0.934 nan 8.290 nan 0.000 0.513 81 N N 0.838 119.542 118.700 0.007 0.000 2.456 81 N HA 0.345 5.085 4.740 -0.000 0.000 0.288 81 N C -0.431 175.086 175.510 0.011 0.000 1.059 81 N CA -0.571 52.483 53.050 0.007 0.000 0.946 81 N CB 0.962 39.453 38.487 0.006 0.000 1.150 81 N HN 0.114 nan 8.380 nan 0.000 0.479 82 D N 0.595 121.001 120.400 0.009 0.000 2.472 82 D HA 0.055 4.694 4.640 -0.000 0.000 0.237 82 D C 0.232 176.540 176.300 0.013 0.000 1.141 82 D CA 0.257 54.263 54.000 0.010 0.000 0.875 82 D CB 0.706 41.508 40.800 0.004 0.000 1.192 82 D HN 0.177 nan 8.370 nan 0.000 0.450 83 V N -0.925 119.000 119.914 0.017 0.000 2.667 83 V HA 0.636 4.755 4.120 -0.000 0.000 0.308 83 V C 0.010 176.111 176.094 0.012 0.000 1.048 83 V CA -0.868 61.447 62.300 0.025 0.000 0.928 83 V CB 2.151 34.007 31.823 0.055 0.000 1.004 83 V HN 0.338 nan 8.190 nan 0.000 0.444 84 S N 4.752 120.460 115.700 0.013 0.000 2.420 84 S HA 0.639 5.109 4.470 -0.000 0.000 0.313 84 S C -0.201 174.402 174.600 0.006 0.000 1.079 84 S CA -0.486 57.716 58.200 0.003 0.000 1.104 84 S CB 0.212 63.415 63.200 0.004 0.000 0.969 84 S HN 0.627 nan 8.310 nan 0.000 0.471 85 L N 2.912 124.124 121.223 -0.019 0.000 2.399 85 L HA 0.758 5.097 4.340 -0.000 0.000 0.265 85 L C 0.438 177.300 176.870 -0.014 0.000 1.089 85 L CA -0.734 54.092 54.840 -0.024 0.000 0.802 85 L CB 0.622 42.612 42.059 -0.116 0.000 1.180 85 L HN 0.565 nan 8.230 nan 0.000 0.454 86 K N 1.011 121.412 120.400 0.002 0.000 2.523 86 K HA 0.772 5.092 4.320 -0.000 0.000 0.257 86 K C -0.425 176.184 176.600 0.015 0.000 0.932 86 K CA -0.145 56.147 56.287 0.008 0.000 0.812 86 K CB 1.461 33.969 32.500 0.014 0.000 1.326 86 K HN 0.804 nan 8.250 nan 0.000 0.433 87 A N -0.054 122.774 122.820 0.013 0.000 2.586 87 A HA 0.468 4.788 4.320 -0.000 0.000 0.231 87 A C 1.861 179.461 177.584 0.025 0.000 1.055 87 A CA 1.748 53.796 52.037 0.018 0.000 0.756 87 A CB -0.850 18.159 19.000 0.015 0.000 0.988 87 A HN 2.678 nan 8.150 nan 0.000 0.509 88 G N -0.047 108.771 108.800 0.031 0.000 2.302 88 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.263 88 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.263 88 G C 0.547 175.472 174.900 0.041 0.000 0.995 88 G CA 0.972 46.093 45.100 0.034 0.000 0.622 88 G HN 1.627 nan 8.290 nan 0.000 0.538 89 Q N 1.387 121.215 119.800 0.047 0.000 2.330 89 Q HA 0.436 4.776 4.340 -0.000 0.000 0.279 89 Q C -0.100 175.951 176.000 0.085 0.000 1.024 89 Q CA 0.528 56.367 55.803 0.061 0.000 0.900 89 Q CB 0.376 29.155 28.738 0.068 0.000 1.221 89 Q HN 0.225 nan 8.270 nan 0.000 0.396 90 T N 4.933 119.532 114.554 0.075 0.000 2.853 90 T HA 0.251 4.600 4.350 -0.000 0.000 0.298 90 T C -0.932 173.848 174.700 0.133 0.000 0.978 90 T CA 0.134 62.285 62.100 0.085 0.000 1.152 90 T CB -0.063 68.828 68.868 0.038 0.000 0.914 90 T HN 0.464 nan 8.240 nan 0.000 0.539 91 F N 1.946 121.878 119.950 -0.031 0.000 2.577 91 F HA 0.577 5.104 4.527 -0.001 0.000 0.318 91 F C -0.299 175.426 175.800 -0.125 0.000 1.065 91 F CA -0.558 57.379 58.000 -0.105 0.000 0.929 91 F CB 2.159 41.079 39.000 -0.133 0.000 1.237 91 F HN 0.405 nan 8.300 nan 0.000 0.468 92 T N 4.633 118.771 114.554 -0.693 0.000 2.928 92 T HA 0.443 4.793 4.350 -0.000 0.000 0.296 92 T C -1.272 173.105 174.700 -0.537 0.000 1.000 92 T CA -0.316 61.559 62.100 -0.376 0.000 0.989 92 T CB 0.691 69.399 68.868 -0.267 0.000 1.005 92 T HN 0.267 nan 8.240 nan 0.000 0.442 93 F N 1.888 121.867 119.950 0.048 0.000 2.404 93 F HA 0.535 5.062 4.527 -0.000 0.000 0.345 93 F C 1.144 176.947 175.800 0.005 0.000 1.110 93 F CA -0.425 57.602 58.000 0.045 0.000 1.130 93 F CB 1.533 40.605 39.000 0.120 0.000 1.129 93 F HN 0.350 nan 8.300 nan 0.000 0.500 94 T N 1.445 116.047 114.554 0.080 0.000 2.855 94 T HA 0.232 4.582 4.350 -0.000 0.000 0.281 94 T C 0.886 175.612 174.700 0.044 0.000 1.007 94 T CA -0.421 61.706 62.100 0.045 0.000 1.009 94 T CB 1.292 70.147 68.868 -0.021 0.000 0.983 94 T HN 0.691 nan 8.240 nan 0.000 0.455 95 T N 2.544 117.122 114.554 0.039 0.000 3.113 95 T HA 0.048 4.398 4.350 -0.000 0.000 0.256 95 T C 0.554 175.257 174.700 0.004 0.000 1.131 95 T CA 0.180 62.291 62.100 0.017 0.000 1.074 95 T CB -0.124 68.754 68.868 0.016 0.000 0.944 95 T HN 0.527 nan 8.240 nan 0.000 0.516 96 D N 2.254 122.655 120.400 0.002 0.000 2.383 96 D HA 0.043 4.683 4.640 -0.000 0.000 0.245 96 D C 0.756 177.054 176.300 -0.004 0.000 1.263 96 D CA 0.022 54.020 54.000 -0.003 0.000 0.936 96 D CB 0.481 41.275 40.800 -0.009 0.000 1.053 96 D HN 0.215 nan 8.370 nan 0.000 0.507 97 K N 1.141 121.541 120.400 -0.000 0.000 2.675 97 K HA -0.060 4.260 4.320 -0.000 0.000 0.194 97 K C 1.068 177.668 176.600 -0.001 0.000 1.029 97 K CA 0.430 56.718 56.287 0.001 0.000 0.980 97 K CB 0.087 32.591 32.500 0.006 0.000 0.803 97 K HN 0.303 nan 8.250 nan 0.000 0.493 98 S N -1.298 114.399 115.700 -0.005 0.000 2.687 98 S HA 0.088 4.557 4.470 -0.000 0.000 0.247 98 S C 0.475 175.068 174.600 -0.011 0.000 1.050 98 S CA -0.588 57.609 58.200 -0.006 0.000 1.063 98 S CB 0.310 63.506 63.200 -0.005 0.000 1.039 98 S HN -0.091 nan 8.310 nan 0.000 0.580 99 V N 4.421 124.325 119.914 -0.015 0.000 2.485 99 V HA 0.160 4.279 4.120 -0.000 0.000 0.287 99 V C 0.190 176.270 176.094 -0.023 0.000 1.022 99 V CA 0.159 62.444 62.300 -0.025 0.000 1.067 99 V CB -0.082 31.720 31.823 -0.035 0.000 0.967 99 V HN 0.467 nan 8.190 nan 0.000 0.479 100 I N 4.397 124.953 120.570 -0.023 0.000 2.472 100 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 100 I C 1.030 177.131 176.117 -0.027 0.000 1.016 100 I CA 0.259 61.548 61.300 -0.018 0.000 1.348 100 I CB 1.430 39.423 38.000 -0.012 0.000 1.417 100 I HN 0.678 nan 8.210 nan 0.000 0.521 101 G N 4.551 113.342 108.800 -0.016 0.000 2.528 101 G HA2 0.494 4.453 3.960 -0.000 0.000 0.289 101 G HA3 0.494 4.453 3.960 -0.000 0.000 0.289 101 G C -0.427 174.466 174.900 -0.012 0.000 1.192 101 G CA -0.369 44.718 45.100 -0.022 0.000 0.921 101 G HN 0.807 nan 8.290 nan 0.000 0.512 102 N N -2.927 115.762 118.700 -0.019 0.000 3.621 102 N HA 0.254 4.993 4.740 -0.000 0.000 0.345 102 N C 0.720 176.278 175.510 0.079 0.000 1.646 102 N CA 0.066 53.124 53.050 0.012 0.000 0.731 102 N CB 0.412 38.888 38.487 -0.018 0.000 2.435 102 N HN 0.344 nan 8.380 nan 0.000 0.613 103 S N -2.064 113.685 115.700 0.083 0.000 2.593 103 S HA 0.200 4.670 4.470 -0.000 0.000 0.217 103 S C 0.512 175.209 174.600 0.161 0.000 0.966 103 S CA 0.248 58.562 58.200 0.190 0.000 0.914 103 S CB -0.167 63.096 63.200 0.104 0.000 0.776 103 S HN 0.480 nan 8.310 nan 0.000 0.523 104 E N 0.747 120.890 120.200 -0.094 0.000 2.340 104 E HA 0.434 4.783 4.350 -0.000 0.000 0.198 104 E C 0.254 176.361 176.600 -0.821 0.000 0.961 104 E CA 0.377 56.608 56.400 -0.281 0.000 0.905 104 E CB 0.537 30.127 29.700 -0.183 0.000 0.884 104 E HN 0.609 nan 8.360 nan 0.000 0.491 105 M N 0.043 119.102 119.600 -0.902 0.000 2.449 105 M HA 0.298 4.778 4.480 -0.000 0.000 0.291 105 M C -1.854 174.110 176.300 -0.560 0.000 1.148 105 M CA -0.615 54.045 55.300 -1.067 0.000 0.925 105 M CB 1.315 33.577 32.600 -0.563 0.000 1.767 105 M HN -0.136 nan 8.290 nan 0.000 0.503 106 V N 0.739 120.386 119.914 -0.445 0.000 3.155 106 V HA 1.049 5.169 4.120 -0.000 0.000 0.313 106 V C -0.290 175.775 176.094 -0.048 0.000 1.162 106 V CA -0.704 61.543 62.300 -0.089 0.000 1.048 106 V CB 1.335 33.228 31.823 0.116 0.000 1.092 106 V HN 0.983 nan 8.190 nan 0.000 0.447 107 A N 0.852 123.678 122.820 0.010 0.000 2.312 107 A HA 0.877 5.197 4.320 -0.000 0.000 0.328 107 A C -0.256 177.352 177.584 0.040 0.000 1.158 107 A CA -0.385 51.666 52.037 0.022 0.000 0.821 107 A CB 1.333 20.334 19.000 0.001 0.000 1.170 107 A HN 1.975 nan 8.150 nan 0.000 0.490 108 V N 0.384 120.293 119.914 -0.009 0.000 2.513 108 V HA 0.564 4.684 4.120 -0.000 0.000 0.299 108 V C 1.045 177.111 176.094 -0.046 0.000 1.035 108 V CA 0.144 62.386 62.300 -0.097 0.000 0.889 108 V CB 0.522 32.096 31.823 -0.415 0.000 0.988 108 V HN 1.144 nan 8.190 nan 0.000 0.440 109 T N -0.116 114.430 114.554 -0.013 0.000 2.897 109 T HA -0.164 4.186 4.350 -0.000 0.000 0.271 109 T C 0.650 175.418 174.700 0.112 0.000 1.084 109 T CA 1.453 63.574 62.100 0.035 0.000 1.123 109 T CB -0.471 68.413 68.868 0.027 0.000 0.865 109 T HN 0.820 nan 8.240 nan 0.000 0.496 110 Y N 2.620 122.902 120.300 -0.030 0.000 2.518 110 Y HA 0.360 4.910 4.550 -0.000 0.000 0.344 110 Y C 1.136 177.086 175.900 0.084 0.000 0.982 110 Y CA -2.333 55.788 58.100 0.036 0.000 1.234 110 Y CB 0.367 38.874 38.460 0.080 0.000 1.114 110 Y HN 0.041 nan 8.280 nan 0.000 0.515 111 E N 3.215 123.348 120.200 -0.112 0.000 2.284 111 E HA -0.166 4.184 4.350 -0.000 0.000 0.200 111 E C 1.128 177.508 176.600 -0.366 0.000 1.008 111 E CA 1.352 57.646 56.400 -0.177 0.000 0.829 111 E CB 0.107 29.782 29.700 -0.042 0.000 0.744 111 E HN 0.941 nan 8.360 nan 0.000 0.491 112 G N -0.960 107.266 108.800 -0.957 0.000 3.575 112 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.273 112 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.273 112 G C 0.788 175.319 174.900 -0.615 0.000 1.053 112 G CA -0.470 44.206 45.100 -0.706 0.000 0.803 112 G HN 0.134 nan 8.290 nan 0.000 0.528 113 F N 2.698 122.234 119.950 -0.690 0.000 2.154 113 F HA -0.196 4.331 4.527 -0.000 0.000 0.301 113 F C 2.789 178.521 175.800 -0.114 0.000 1.087 113 F CA 2.329 60.178 58.000 -0.250 0.000 1.274 113 F CB -0.000 38.916 39.000 -0.139 0.000 1.009 113 F HN 0.250 nan 8.300 nan 0.000 0.485 114 T N -4.058 110.464 114.554 -0.054 0.000 2.781 114 T HA -0.123 4.227 4.350 -0.000 0.000 0.252 114 T C 1.925 176.574 174.700 -0.085 0.000 1.039 114 T CA 1.466 63.527 62.100 -0.064 0.000 1.147 114 T CB -1.214 67.655 68.868 0.002 0.000 0.865 114 T HN 0.190 nan 8.240 nan 0.000 0.423 115 T N 2.087 116.595 114.554 -0.077 0.000 2.792 115 T HA -0.140 4.209 4.350 -0.000 0.000 0.268 115 T C 1.132 175.807 174.700 -0.042 0.000 1.059 115 T CA 1.932 64.000 62.100 -0.053 0.000 1.136 115 T CB -0.522 68.316 68.868 -0.050 0.000 0.846 115 T HN 0.534 nan 8.240 nan 0.000 0.489 116 D N -0.540 119.821 120.400 -0.064 0.000 2.652 116 D HA 0.226 4.865 4.640 -0.000 0.000 0.261 116 D C 0.637 176.886 176.300 -0.086 0.000 1.024 116 D CA -0.372 53.609 54.000 -0.032 0.000 0.958 116 D CB -0.534 40.298 40.800 0.052 0.000 1.113 116 D HN 0.098 nan 8.370 nan 0.000 0.471 117 L N 0.625 121.733 121.223 -0.192 0.000 2.489 117 L HA 0.238 4.578 4.340 -0.000 0.000 0.285 117 L C 0.094 176.884 176.870 -0.134 0.000 1.259 117 L CA 0.591 55.289 54.840 -0.237 0.000 0.828 117 L CB 0.422 42.195 42.059 -0.477 0.000 1.094 117 L HN -0.120 nan 8.230 nan 0.000 0.524 118 S N 0.211 115.850 115.700 -0.102 0.000 2.548 118 S HA 0.483 4.953 4.470 -0.000 0.000 0.276 118 S C -1.108 173.470 174.600 -0.036 0.000 1.129 118 S CA -0.767 57.400 58.200 -0.055 0.000 0.931 118 S CB 1.419 64.598 63.200 -0.036 0.000 1.068 118 S HN 0.384 nan 8.310 nan 0.000 0.480 119 V N 3.810 123.713 119.914 -0.018 0.000 2.703 119 V HA 0.219 4.339 4.120 -0.000 0.000 0.300 119 V C 1.698 177.793 176.094 0.002 0.000 1.063 119 V CA 1.638 63.938 62.300 0.000 0.000 1.240 119 V CB -0.786 31.041 31.823 0.006 0.000 0.845 119 V HN 1.384 nan 8.190 nan 0.000 0.476 120 G N 3.218 112.024 108.800 0.010 0.000 2.259 120 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 120 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 120 G C 0.150 175.055 174.900 0.008 0.000 1.001 120 G CA 0.106 45.213 45.100 0.011 0.000 0.627 120 G HN 0.696 nan 8.290 nan 0.000 0.501 121 N N 0.955 119.652 118.700 -0.004 0.000 2.326 121 N HA 0.422 5.162 4.740 -0.000 0.000 0.239 121 N C -0.106 175.406 175.510 0.003 0.000 1.301 121 N CA 0.848 53.891 53.050 -0.011 0.000 0.909 121 N CB 0.310 38.772 38.487 -0.042 0.000 1.156 121 N HN 0.270 nan 8.380 nan 0.000 0.462 122 T N 0.176 114.732 114.554 0.004 0.000 2.829 122 T HA 0.411 4.761 4.350 -0.000 0.000 0.282 122 T C -0.172 174.537 174.700 0.015 0.000 0.990 122 T CA -0.732 61.380 62.100 0.020 0.000 1.028 122 T CB 1.296 70.178 68.868 0.023 0.000 0.951 122 T HN 0.072 nan 8.240 nan 0.000 0.460 123 V N 4.291 124.229 119.914 0.041 0.000 2.495 123 V HA 0.580 4.699 4.120 -0.000 0.000 0.298 123 V C -0.522 175.608 176.094 0.059 0.000 1.031 123 V CA -0.896 61.431 62.300 0.046 0.000 0.871 123 V CB 1.393 33.257 31.823 0.067 0.000 0.988 123 V HN 0.746 nan 8.190 nan 0.000 0.432 124 L N 4.937 126.186 121.223 0.044 0.000 2.408 124 L HA 0.782 5.121 4.340 -0.000 0.000 0.268 124 L C -0.827 176.062 176.870 0.032 0.000 0.986 124 L CA -0.835 54.029 54.840 0.040 0.000 0.820 124 L CB 2.150 44.229 42.059 0.034 0.000 1.303 124 L HN 0.314 nan 8.230 nan 0.000 0.411 125 V N 0.689 120.623 119.914 0.033 0.000 2.581 125 V HA 0.401 4.521 4.120 -0.000 0.000 0.303 125 V C -0.173 175.928 176.094 0.013 0.000 1.041 125 V CA -0.342 61.976 62.300 0.029 0.000 0.907 125 V CB 1.626 33.483 31.823 0.056 0.000 0.994 125 V HN 0.894 nan 8.190 nan 0.000 0.442 126 D N 3.346 123.753 120.400 0.011 0.000 2.778 126 D HA -0.156 4.484 4.640 -0.000 0.000 0.246 126 D C 0.046 176.351 176.300 0.008 0.000 1.107 126 D CA 0.935 54.939 54.000 0.007 0.000 0.732 126 D CB -0.990 39.811 40.800 0.002 0.000 1.055 126 D HN 0.922 nan 8.370 nan 0.000 0.429 127 D N -0.472 119.934 120.400 0.010 0.000 2.735 127 D HA -0.115 4.525 4.640 -0.000 0.000 0.235 127 D C 1.213 177.522 176.300 0.015 0.000 1.175 127 D CA 1.954 55.962 54.000 0.014 0.000 0.683 127 D CB -1.557 39.252 40.800 0.014 0.000 1.008 127 D HN 1.068 nan 8.370 nan 0.000 0.416 128 G N -0.571 108.239 108.800 0.017 0.000 2.179 128 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.257 128 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.257 128 G C 0.929 175.835 174.900 0.010 0.000 1.010 128 G CA 0.739 45.849 45.100 0.017 0.000 0.736 128 G HN 0.565 nan 8.290 nan 0.000 0.513 129 L N -0.441 120.786 121.223 0.006 0.000 2.072 129 L HA 0.452 4.792 4.340 -0.000 0.000 0.205 129 L C 1.234 178.102 176.870 -0.004 0.000 1.079 129 L CA 1.606 56.446 54.840 -0.000 0.000 0.752 129 L CB 0.115 42.171 42.059 -0.004 0.000 0.906 129 L HN 0.380 nan 8.230 nan 0.000 0.436 130 I N -0.180 120.387 120.570 -0.006 0.000 2.509 130 I HA 0.527 4.696 4.170 -0.000 0.000 0.293 130 I C 0.145 176.266 176.117 0.007 0.000 1.020 130 I CA -0.562 60.730 61.300 -0.013 0.000 1.088 130 I CB 1.621 39.593 38.000 -0.048 0.000 1.267 130 I HN 0.052 nan 8.210 nan 0.000 0.430 131 G N 5.519 114.327 108.800 0.013 0.000 2.432 131 G HA2 0.858 4.818 3.960 -0.000 0.000 0.331 131 G HA3 0.858 4.818 3.960 -0.000 0.000 0.331 131 G C -1.044 173.884 174.900 0.047 0.000 1.170 131 G CA -0.583 44.536 45.100 0.032 0.000 0.943 131 G HN 0.490 nan 8.290 nan 0.000 0.483 132 M N 1.088 120.732 119.600 0.073 0.000 2.274 132 M HA 0.212 4.691 4.480 -0.000 0.000 0.272 132 M C -1.021 175.341 176.300 0.103 0.000 1.053 132 M CA -0.545 54.821 55.300 0.109 0.000 0.978 132 M CB 2.814 35.530 32.600 0.193 0.000 1.836 132 M HN 0.813 nan 8.290 nan 0.000 0.484 133 E N 3.014 123.266 120.200 0.087 0.000 2.231 133 E HA 0.615 4.965 4.350 -0.000 0.000 0.277 133 E C -1.070 175.584 176.600 0.090 0.000 0.999 133 E CA -0.916 55.527 56.400 0.072 0.000 0.827 133 E CB 1.380 31.110 29.700 0.049 0.000 1.101 133 E HN 0.380 nan 8.360 nan 0.000 0.393 134 V N 3.099 123.058 119.914 0.075 0.000 2.740 134 V HA 0.072 4.192 4.120 -0.000 0.000 0.303 134 V C 1.183 177.315 176.094 0.064 0.000 1.054 134 V CA 0.613 62.962 62.300 0.083 0.000 1.106 134 V CB 0.911 32.760 31.823 0.043 0.000 0.957 134 V HN 1.055 nan 8.190 nan 0.000 0.486 135 T N -0.791 113.805 114.554 0.070 0.000 2.975 135 T HA 0.666 5.015 4.350 -0.000 0.000 0.261 135 T C 0.172 174.897 174.700 0.042 0.000 0.984 135 T CA 0.460 62.591 62.100 0.051 0.000 0.911 135 T CB 0.536 69.435 68.868 0.052 0.000 1.127 135 T HN 1.359 nan 8.240 nan 0.000 0.514 136 A N 0.549 123.399 122.820 0.049 0.000 2.597 136 A HA 0.724 5.043 4.320 -0.000 0.000 0.292 136 A C -2.012 175.599 177.584 0.045 0.000 1.057 136 A CA -0.912 51.149 52.037 0.039 0.000 0.674 136 A CB 0.864 19.884 19.000 0.035 0.000 1.278 136 A HN 0.356 nan 8.150 nan 0.000 0.416 137 I N 0.635 121.224 120.570 0.031 0.000 2.569 137 I HA 0.534 4.703 4.170 -0.000 0.000 0.290 137 I C -1.134 174.998 176.117 0.024 0.000 1.088 137 I CA -0.318 61.002 61.300 0.033 0.000 1.047 137 I CB 2.477 40.487 38.000 0.017 0.000 1.237 137 I HN 0.793 nan 8.210 nan 0.000 0.421 138 E N 3.460 123.677 120.200 0.028 0.000 2.307 138 E HA 0.591 4.941 4.350 -0.000 0.000 0.280 138 E C 0.177 176.789 176.600 0.019 0.000 0.900 138 E CA 0.013 56.425 56.400 0.018 0.000 0.790 138 E CB 2.111 31.819 29.700 0.014 0.000 1.261 138 E HN 0.839 nan 8.360 nan 0.000 0.405 139 G N 3.663 112.470 108.800 0.013 0.000 2.609 139 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.288 139 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.288 139 G C 0.167 175.075 174.900 0.014 0.000 1.211 139 G CA 0.378 45.484 45.100 0.010 0.000 0.963 139 G HN 0.746 nan 8.290 nan 0.000 0.541 140 N N 1.161 119.872 118.700 0.018 0.000 2.389 140 N HA 0.435 5.174 4.740 -0.000 0.000 0.260 140 N C -0.191 175.353 175.510 0.057 0.000 1.191 140 N CA 0.114 53.181 53.050 0.028 0.000 0.885 140 N CB 0.719 39.215 38.487 0.015 0.000 1.162 140 N HN 0.698 nan 8.380 nan 0.000 0.512 141 K N -0.402 120.039 120.400 0.068 0.000 2.427 141 K HA 0.480 4.800 4.320 -0.000 0.000 0.252 141 K C -1.312 175.372 176.600 0.139 0.000 0.931 141 K CA -0.711 55.634 56.287 0.097 0.000 0.793 141 K CB 3.015 35.541 32.500 0.044 0.000 1.211 141 K HN -0.132 nan 8.250 nan 0.000 0.426 142 V N 4.914 124.975 119.914 0.245 0.000 2.294 142 V HA 0.332 4.451 4.120 -0.000 0.000 0.272 142 V C -0.286 175.968 176.094 0.267 0.000 1.027 142 V CA -0.663 61.799 62.300 0.271 0.000 0.823 142 V CB 0.457 32.538 31.823 0.429 0.000 1.030 142 V HN 0.650 nan 8.190 nan 0.000 0.457 143 I N 4.792 125.454 120.570 0.154 0.000 2.363 143 I HA 0.265 4.435 4.170 -0.000 0.000 0.292 143 I C 0.265 176.471 176.117 0.148 0.000 1.075 143 I CA 0.267 61.636 61.300 0.115 0.000 1.333 143 I CB 0.319 38.354 38.000 0.058 0.000 1.415 143 I HN 0.542 nan 8.210 nan 0.000 0.502 144 C N 5.147 124.565 119.300 0.196 0.000 2.531 144 C HA 0.547 5.007 4.460 -0.000 0.000 0.369 144 C C 0.206 175.298 174.990 0.170 0.000 1.258 144 C CA -0.915 58.237 59.018 0.224 0.000 1.876 144 C CB 1.765 29.730 27.740 0.375 0.000 2.256 144 C HN 0.655 nan 8.230 nan 0.000 0.510 145 K N 0.784 121.272 120.400 0.147 0.000 2.463 145 K HA 0.586 4.905 4.320 -0.000 0.000 0.255 145 K C -1.382 175.281 176.600 0.104 0.000 0.942 145 K CA -0.256 56.098 56.287 0.112 0.000 0.814 145 K CB 1.328 33.875 32.500 0.077 0.000 1.122 145 K HN 0.540 nan 8.250 nan 0.000 0.425 146 V N 6.570 126.540 119.914 0.092 0.000 2.508 146 V HA 0.064 4.184 4.120 -0.000 0.000 0.281 146 V C 1.160 177.279 176.094 0.041 0.000 1.041 146 V CA -0.020 62.315 62.300 0.059 0.000 1.016 146 V CB 0.957 32.799 31.823 0.032 0.000 0.984 146 V HN 0.790 nan 8.190 nan 0.000 0.478 147 L N 4.078 125.321 121.223 0.033 0.000 2.513 147 L HA 0.304 4.644 4.340 -0.000 0.000 0.222 147 L C 0.866 177.746 176.870 0.017 0.000 1.096 147 L CA 0.270 55.127 54.840 0.028 0.000 0.857 147 L CB -0.176 41.902 42.059 0.031 0.000 1.026 147 L HN 0.878 nan 8.230 nan 0.000 0.469 148 N N -1.426 117.280 118.700 0.009 0.000 2.708 148 N HA 0.136 4.876 4.740 -0.000 0.000 0.257 148 N C -1.409 174.097 175.510 -0.007 0.000 1.373 148 N CA -0.660 52.392 53.050 0.003 0.000 0.843 148 N CB 1.076 39.565 38.487 0.003 0.000 1.503 148 N HN -0.235 nan 8.380 nan 0.000 0.504 149 N N -0.895 117.801 118.700 -0.006 0.000 2.470 149 N HA 0.593 5.333 4.740 -0.000 0.000 0.268 149 N C -0.146 175.354 175.510 -0.017 0.000 1.136 149 N CA 0.321 53.365 53.050 -0.010 0.000 0.961 149 N CB 1.206 39.690 38.487 -0.004 0.000 1.067 149 N HN 0.747 nan 8.380 nan 0.000 0.468 150 G N 0.514 109.298 108.800 -0.028 0.000 2.649 150 G HA2 0.360 4.319 3.960 -0.000 0.000 0.290 150 G HA3 0.360 4.319 3.960 -0.000 0.000 0.290 150 G C -1.749 173.130 174.900 -0.036 0.000 1.426 150 G CA -0.628 44.455 45.100 -0.030 0.000 0.794 150 G HN 0.329 nan 8.290 nan 0.000 0.483 151 D N 0.125 120.508 120.400 -0.029 0.000 2.217 151 D HA 0.442 5.082 4.640 -0.000 0.000 0.243 151 D C -0.523 175.757 176.300 -0.033 0.000 1.054 151 D CA -0.309 53.675 54.000 -0.026 0.000 0.838 151 D CB 2.451 43.243 40.800 -0.012 0.000 1.162 151 D HN 0.258 nan 8.370 nan 0.000 0.472 152 L N 2.625 123.824 121.223 -0.040 0.000 2.261 152 L HA 0.529 4.869 4.340 -0.000 0.000 0.289 152 L C 0.587 177.455 176.870 -0.004 0.000 1.059 152 L CA -0.056 54.762 54.840 -0.037 0.000 0.816 152 L CB 0.734 42.749 42.059 -0.073 0.000 1.191 152 L HN 0.392 nan 8.230 nan 0.000 0.431 153 G N 3.912 112.712 108.800 0.001 0.000 2.535 153 G HA2 0.293 4.253 3.960 -0.000 0.000 0.282 153 G HA3 0.293 4.253 3.960 -0.000 0.000 0.282 153 G C -0.632 174.280 174.900 0.019 0.000 1.350 153 G CA -0.605 44.500 45.100 0.010 0.000 1.039 153 G HN 0.665 nan 8.290 nan 0.000 0.509 154 E N 0.029 120.240 120.200 0.018 0.000 2.313 154 E HA 0.150 4.500 4.350 -0.000 0.000 0.272 154 E C 0.105 176.716 176.600 0.019 0.000 1.038 154 E CA -0.369 56.043 56.400 0.021 0.000 0.863 154 E CB 0.873 30.582 29.700 0.016 0.000 1.060 154 E HN 0.662 nan 8.360 nan 0.000 0.402 155 N N 2.360 121.072 118.700 0.021 0.000 2.726 155 N HA -0.143 4.596 4.740 -0.000 0.000 0.253 155 N C -1.146 174.370 175.510 0.010 0.000 1.059 155 N CA 0.166 53.223 53.050 0.012 0.000 0.701 155 N CB -0.232 38.260 38.487 0.007 0.000 0.899 155 N HN 0.235 nan 8.380 nan 0.000 0.548 156 K N 0.458 120.868 120.400 0.016 0.000 2.123 156 K HA 0.505 4.825 4.320 -0.000 0.000 0.248 156 K C 0.689 177.289 176.600 -0.000 0.000 0.969 156 K CA -0.273 56.021 56.287 0.012 0.000 0.882 156 K CB 1.207 33.719 32.500 0.020 0.000 1.080 156 K HN 0.329 nan 8.250 nan 0.000 0.441 157 G N 0.062 108.858 108.800 -0.008 0.000 2.415 157 G HA2 0.407 4.367 3.960 -0.000 0.000 0.269 157 G HA3 0.407 4.367 3.960 -0.000 0.000 0.269 157 G C -0.739 174.151 174.900 -0.018 0.000 1.209 157 G CA -0.449 44.636 45.100 -0.024 0.000 0.835 157 G HN 0.198 nan 8.290 nan 0.000 0.534 158 V N 3.520 123.416 119.914 -0.030 0.000 2.334 158 V HA 0.276 4.395 4.120 -0.000 0.000 0.281 158 V C -0.453 175.654 176.094 0.021 0.000 1.016 158 V CA -1.179 61.114 62.300 -0.013 0.000 0.832 158 V CB 1.175 32.971 31.823 -0.044 0.000 0.999 158 V HN 0.667 nan 8.190 nan 0.000 0.439 159 N N 4.619 123.340 118.700 0.035 0.000 2.425 159 N HA 0.410 5.150 4.740 -0.000 0.000 0.268 159 N C -0.958 174.591 175.510 0.066 0.000 0.991 159 N CA -0.501 52.583 53.050 0.057 0.000 0.931 159 N CB 2.446 40.966 38.487 0.055 0.000 1.130 159 N HN 0.382 nan 8.380 nan 0.000 0.493 160 L N 4.962 126.234 121.223 0.082 0.000 2.494 160 L HA 0.393 4.733 4.340 -0.000 0.000 0.251 160 L C -2.219 174.676 176.870 0.042 0.000 1.119 160 L CA -1.903 52.966 54.840 0.048 0.000 1.026 160 L CB 0.520 42.605 42.059 0.044 0.000 1.370 160 L HN 0.260 nan 8.230 nan 0.000 0.426 161 P HA 0.247 nan 4.420 nan 0.000 0.265 161 P C 0.962 178.272 177.300 0.017 0.000 1.193 161 P CA 0.807 63.926 63.100 0.032 0.000 0.765 161 P CB 0.937 32.653 31.700 0.027 0.000 0.823 162 G N 1.617 110.427 108.800 0.017 0.000 2.417 162 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.233 162 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.233 162 G C 0.109 175.013 174.900 0.007 0.000 1.103 162 G CA 0.087 45.191 45.100 0.007 0.000 0.647 162 G HN 0.539 nan 8.290 nan 0.000 0.512 163 V N 2.458 122.379 119.914 0.011 0.000 2.403 163 V HA 0.459 4.579 4.120 -0.000 0.000 0.265 163 V C 1.344 177.459 176.094 0.035 0.000 1.034 163 V CA 0.750 63.056 62.300 0.009 0.000 1.036 163 V CB 1.137 32.949 31.823 -0.017 0.000 1.032 163 V HN 0.701 nan 8.190 nan 0.000 0.478 164 S N 6.558 122.273 115.700 0.026 0.000 2.858 164 S HA 0.116 4.585 4.470 -0.000 0.000 0.328 164 S C 0.178 174.819 174.600 0.068 0.000 1.149 164 S CA -0.605 57.615 58.200 0.034 0.000 1.421 164 S CB -1.036 62.176 63.200 0.020 0.000 1.461 164 S HN 0.481 nan 8.310 nan 0.000 0.587 165 I N 4.573 125.202 120.570 0.099 0.000 2.578 165 I HA 0.080 4.249 4.170 -0.000 0.000 0.286 165 I C 1.213 177.377 176.117 0.079 0.000 1.126 165 I CA 0.075 61.446 61.300 0.118 0.000 1.380 165 I CB 0.538 38.603 38.000 0.110 0.000 1.408 165 I HN 0.653 nan 8.210 nan 0.000 0.532 166 A N 7.432 130.326 122.820 0.124 0.000 2.265 166 A HA 0.188 4.508 4.320 -0.000 0.000 0.213 166 A C 0.917 178.530 177.584 0.049 0.000 1.255 166 A CA -0.182 51.916 52.037 0.102 0.000 0.862 166 A CB -0.687 18.399 19.000 0.143 0.000 0.852 166 A HN 0.664 nan 8.150 nan 0.000 0.484 167 L N 1.636 122.790 121.223 -0.115 0.000 2.543 167 L HA 0.069 4.409 4.340 -0.000 0.000 0.285 167 L C -1.494 175.352 176.870 -0.040 0.000 1.236 167 L CA -1.013 53.715 54.840 -0.187 0.000 0.871 167 L CB 0.389 42.252 42.059 -0.326 0.000 1.121 167 L HN 0.271 nan 8.230 nan 0.000 0.501 168 P HA 0.053 nan 4.420 nan 0.000 0.274 168 P C -0.083 177.219 177.300 0.003 0.000 1.237 168 P CA -0.362 62.738 63.100 -0.000 0.000 0.793 168 P CB 1.011 32.712 31.700 0.000 0.000 0.977 169 A N 2.865 125.691 122.820 0.011 0.000 1.933 169 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 169 A C 1.279 178.857 177.584 -0.010 0.000 1.175 169 A CA 1.170 53.217 52.037 0.017 0.000 0.628 169 A CB -0.668 18.338 19.000 0.009 0.000 0.814 169 A HN 0.530 nan 8.150 nan 0.000 0.444 170 L N 0.220 121.417 121.223 -0.044 0.000 2.305 170 L HA 0.524 4.863 4.340 -0.000 0.000 0.284 170 L C 0.506 177.330 176.870 -0.078 0.000 1.013 170 L CA -0.799 53.986 54.840 -0.092 0.000 0.819 170 L CB 1.413 43.359 42.059 -0.188 0.000 1.227 170 L HN 0.340 nan 8.230 nan 0.000 0.417 171 A N 3.198 125.976 122.820 -0.071 0.000 2.475 171 A HA 0.082 4.402 4.320 -0.000 0.000 0.239 171 A C 1.234 178.786 177.584 -0.053 0.000 1.087 171 A CA 0.009 52.011 52.037 -0.058 0.000 0.779 171 A CB 0.263 19.230 19.000 -0.054 0.000 1.036 171 A HN 0.911 nan 8.150 nan 0.000 0.506 172 E N 0.779 120.961 120.200 -0.030 0.000 2.068 172 E HA -0.298 4.051 4.350 -0.000 0.000 0.207 172 E C 1.731 178.323 176.600 -0.014 0.000 1.032 172 E CA 1.888 58.280 56.400 -0.013 0.000 0.839 172 E CB -0.210 29.489 29.700 -0.001 0.000 0.758 172 E HN 0.734 nan 8.360 nan 0.000 0.457 173 K N 0.575 120.966 120.400 -0.015 0.000 2.148 173 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 173 K C 1.638 178.227 176.600 -0.019 0.000 1.050 173 K CA 1.225 57.512 56.287 -0.000 0.000 0.942 173 K CB 0.106 32.605 32.500 -0.002 0.000 0.724 173 K HN 0.010 nan 8.250 nan 0.000 0.446 174 D N 1.144 121.511 120.400 -0.056 0.000 2.182 174 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 174 D C 1.637 177.848 176.300 -0.147 0.000 0.986 174 D CA 1.070 55.014 54.000 -0.094 0.000 0.847 174 D CB 0.119 40.858 40.800 -0.102 0.000 0.942 174 D HN 0.293 nan 8.370 nan 0.000 0.467 175 K N 0.533 120.829 120.400 -0.172 0.000 2.097 175 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 175 K C 2.142 178.741 176.600 -0.002 0.000 1.049 175 K CA 0.919 57.082 56.287 -0.206 0.000 0.933 175 K CB -0.274 32.170 32.500 -0.093 0.000 0.717 175 K HN 0.399 nan 8.250 nan 0.000 0.442 176 Q N 0.886 120.679 119.800 -0.011 0.000 2.245 176 Q HA -0.078 4.262 4.340 -0.000 0.000 0.201 176 Q C 0.979 176.936 176.000 -0.073 0.000 0.955 176 Q CA 1.164 56.957 55.803 -0.016 0.000 0.870 176 Q CB -0.036 28.742 28.738 0.067 0.000 0.945 176 Q HN 0.102 nan 8.270 nan 0.000 0.461 177 D N 1.496 121.859 120.400 -0.061 0.000 2.097 177 D HA -0.080 4.559 4.640 -0.000 0.000 0.197 177 D C 2.033 178.177 176.300 -0.260 0.000 0.984 177 D CA 0.894 54.744 54.000 -0.250 0.000 0.826 177 D CB -0.118 40.470 40.800 -0.354 0.000 0.973 177 D HN 0.171 nan 8.370 nan 0.000 0.460 178 L N 0.620 121.749 121.223 -0.156 0.000 2.012 178 L HA -0.169 4.170 4.340 -0.000 0.000 0.210 178 L C 2.505 179.324 176.870 -0.085 0.000 1.073 178 L CA 1.134 55.929 54.840 -0.075 0.000 0.748 178 L CB -0.636 41.447 42.059 0.039 0.000 0.891 178 L HN 0.120 nan 8.230 nan 0.000 0.431 179 I N -0.763 119.725 120.570 -0.137 0.000 2.163 179 I HA -0.369 3.801 4.170 -0.000 0.000 0.243 179 I C 2.607 178.623 176.117 -0.168 0.000 1.085 179 I CA 1.457 62.605 61.300 -0.252 0.000 1.347 179 I CB -0.508 37.267 38.000 -0.376 0.000 1.044 179 I HN 0.140 nan 8.210 nan 0.000 0.408 180 F N 2.162 121.897 119.950 -0.358 0.000 2.065 180 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 180 F C 2.357 178.032 175.800 -0.207 0.000 1.112 180 F CA 1.931 59.711 58.000 -0.368 0.000 1.212 180 F CB -0.920 37.722 39.000 -0.596 0.000 0.975 180 F HN 0.008 nan 8.300 nan 0.000 0.476 181 G N -0.752 107.935 108.800 -0.188 0.000 2.442 181 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 181 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 181 G C 1.744 176.533 174.900 -0.185 0.000 1.141 181 G CA 1.087 46.061 45.100 -0.210 0.000 0.763 181 G HN 0.545 nan 8.290 nan 0.000 0.554 182 C N 0.243 119.463 119.300 -0.134 0.000 2.432 182 C HA 0.002 4.462 4.460 -0.000 0.000 0.277 182 C C 2.771 177.687 174.990 -0.124 0.000 1.249 182 C CA 1.059 60.023 59.018 -0.090 0.000 1.725 182 C CB -0.846 26.878 27.740 -0.026 0.000 2.028 182 C HN 0.589 nan 8.230 nan 0.000 0.477 183 E N 0.084 120.181 120.200 -0.171 0.000 2.058 183 E HA -0.228 4.121 4.350 -0.000 0.000 0.194 183 E C 2.323 178.785 176.600 -0.230 0.000 0.997 183 E CA 1.109 57.400 56.400 -0.182 0.000 0.801 183 E CB -0.172 29.408 29.700 -0.200 0.000 0.746 183 E HN 0.614 nan 8.360 nan 0.000 0.450 184 Q N -0.848 118.730 119.800 -0.370 0.000 2.297 184 Q HA -0.024 4.316 4.340 -0.000 0.000 0.204 184 Q C 1.163 177.046 176.000 -0.193 0.000 0.962 184 Q CA 1.026 56.626 55.803 -0.338 0.000 0.879 184 Q CB 0.545 28.968 28.738 -0.524 0.000 0.947 184 Q HN 0.442 nan 8.270 nan 0.000 0.462 185 G N 1.491 110.193 108.800 -0.163 0.000 2.212 185 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.255 185 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.255 185 G C 0.365 175.208 174.900 -0.096 0.000 1.062 185 G CA 0.283 45.318 45.100 -0.108 0.000 0.815 185 G HN 0.327 nan 8.290 nan 0.000 0.497 186 V N -2.876 116.983 119.914 -0.092 0.000 3.139 186 V HA 0.424 4.544 4.120 -0.000 0.000 0.307 186 V C 1.210 177.259 176.094 -0.075 0.000 1.095 186 V CA 0.691 62.960 62.300 -0.051 0.000 1.160 186 V CB 0.982 32.810 31.823 0.007 0.000 1.003 186 V HN 0.172 nan 8.190 nan 0.000 0.489 187 D N 0.888 121.238 120.400 -0.083 0.000 2.216 187 D HA 0.167 4.807 4.640 -0.000 0.000 0.208 187 D C 0.094 176.082 176.300 -0.521 0.000 0.960 187 D CA 1.402 55.224 54.000 -0.296 0.000 0.861 187 D CB 0.229 40.867 40.800 -0.270 0.000 0.985 187 D HN 0.564 nan 8.370 nan 0.000 0.493 188 F N -0.137 119.834 119.950 0.035 0.000 2.588 188 F HA 0.434 4.961 4.527 -0.000 0.000 0.314 188 F C -0.263 175.575 175.800 0.064 0.000 1.069 188 F CA -1.056 56.987 58.000 0.071 0.000 0.931 188 F CB 2.384 41.432 39.000 0.080 0.000 1.260 188 F HN -0.447 nan 8.300 nan 0.000 0.465 189 V N 2.099 122.180 119.914 0.278 0.000 2.482 189 V HA 0.696 4.816 4.120 -0.000 0.000 0.295 189 V C -0.696 175.496 176.094 0.163 0.000 1.026 189 V CA -0.827 61.576 62.300 0.170 0.000 0.856 189 V CB 1.549 33.434 31.823 0.104 0.000 1.001 189 V HN 0.879 nan 8.190 nan 0.000 0.424 190 A N 4.667 127.569 122.820 0.135 0.000 2.252 190 A HA 0.855 5.174 4.320 -0.000 0.000 0.309 190 A C 0.275 177.910 177.584 0.085 0.000 1.285 190 A CA -0.079 52.020 52.037 0.102 0.000 0.900 190 A CB 0.703 19.754 19.000 0.085 0.000 1.157 190 A HN 1.247 nan 8.150 nan 0.000 0.536 191 A N 2.958 125.823 122.820 0.075 0.000 2.276 191 A HA 0.655 4.975 4.320 -0.000 0.000 0.316 191 A C 0.404 178.034 177.584 0.076 0.000 1.229 191 A CA -0.379 51.696 52.037 0.063 0.000 0.851 191 A CB 0.417 19.447 19.000 0.049 0.000 1.165 191 A HN 0.782 nan 8.150 nan 0.000 0.513 192 S N 1.029 116.781 115.700 0.087 0.000 2.565 192 S HA 0.476 4.945 4.470 -0.000 0.000 0.274 192 S C -0.111 174.620 174.600 0.219 0.000 1.309 192 S CA 0.000 58.278 58.200 0.129 0.000 1.043 192 S CB -0.104 63.157 63.200 0.102 0.000 0.939 192 S HN 1.213 nan 8.310 nan 0.000 0.504 193 F N 1.437 121.392 119.950 0.008 0.000 2.905 193 F HA -0.151 4.376 4.527 -0.000 0.000 0.311 193 F C -0.661 175.139 175.800 -0.001 0.000 1.005 193 F CA -0.183 57.818 58.000 0.001 0.000 1.029 193 F CB -0.995 37.996 39.000 -0.015 0.000 1.151 193 F HN 0.422 nan 8.300 nan 0.000 0.805 194 I N 2.664 123.208 120.570 -0.043 0.000 2.322 194 I HA 0.111 4.280 4.170 -0.000 0.000 0.292 194 I C 1.357 177.372 176.117 -0.171 0.000 1.060 194 I CA 0.090 61.346 61.300 -0.073 0.000 1.309 194 I CB 1.110 39.096 38.000 -0.024 0.000 1.415 194 I HN 0.312 nan 8.210 nan 0.000 0.492 195 R N 4.847 125.232 120.500 -0.192 0.000 2.175 195 R HA 0.125 4.465 4.340 -0.000 0.000 0.202 195 R C 0.294 176.532 176.300 -0.104 0.000 1.018 195 R CA 0.717 56.697 56.100 -0.199 0.000 1.029 195 R CB 0.296 30.468 30.300 -0.214 0.000 0.959 195 R HN 0.578 nan 8.270 nan 0.000 0.480 196 K N -1.344 119.012 120.400 -0.074 0.000 2.499 196 K HA 0.296 4.616 4.320 -0.000 0.000 0.277 196 K C -0.079 176.491 176.600 -0.049 0.000 1.025 196 K CA -0.836 55.419 56.287 -0.054 0.000 0.900 196 K CB 1.171 33.647 32.500 -0.040 0.000 1.494 196 K HN -0.215 nan 8.250 nan 0.000 0.442 197 R N 0.768 121.239 120.500 -0.049 0.000 2.134 197 R HA -0.213 4.127 4.340 -0.000 0.000 0.248 197 R C 1.961 178.241 176.300 -0.032 0.000 1.143 197 R CA 2.983 59.054 56.100 -0.048 0.000 0.957 197 R CB -0.540 29.733 30.300 -0.044 0.000 0.867 197 R HN 0.818 nan 8.270 nan 0.000 0.441 198 S N 0.288 115.974 115.700 -0.023 0.000 2.399 198 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 198 S C 1.442 176.038 174.600 -0.007 0.000 1.022 198 S CA 1.478 59.671 58.200 -0.012 0.000 0.983 198 S CB -0.285 62.911 63.200 -0.006 0.000 0.803 198 S HN 0.329 nan 8.310 nan 0.000 0.480 199 D N 1.755 122.148 120.400 -0.012 0.000 2.123 199 D HA -0.077 4.563 4.640 -0.000 0.000 0.196 199 D C 2.203 178.501 176.300 -0.002 0.000 0.992 199 D CA 1.458 55.455 54.000 -0.005 0.000 0.833 199 D CB -0.596 40.197 40.800 -0.012 0.000 0.954 199 D HN 0.406 nan 8.370 nan 0.000 0.455 200 V N 1.321 121.228 119.914 -0.012 0.000 2.295 200 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 200 V C 2.573 178.668 176.094 0.002 0.000 1.049 200 V CA 1.244 63.538 62.300 -0.009 0.000 1.024 200 V CB -0.527 31.279 31.823 -0.028 0.000 0.648 200 V HN 0.148 nan 8.190 nan 0.000 0.447 201 I N 0.068 120.636 120.570 -0.002 0.000 2.454 201 I HA -0.216 3.954 4.170 -0.000 0.000 0.254 201 I C 2.507 178.638 176.117 0.023 0.000 1.156 201 I CA 1.462 62.765 61.300 0.005 0.000 1.433 201 I CB -0.418 37.581 38.000 -0.002 0.000 1.082 201 I HN 0.411 nan 8.210 nan 0.000 0.432 202 E N 0.473 120.688 120.200 0.025 0.000 2.158 202 E HA -0.142 4.207 4.350 -0.000 0.000 0.191 202 E C 2.154 178.793 176.600 0.066 0.000 0.982 202 E CA 0.981 57.407 56.400 0.043 0.000 0.823 202 E CB 0.022 29.738 29.700 0.027 0.000 0.766 202 E HN 0.424 nan 8.360 nan 0.000 0.468 203 I N 0.772 121.371 120.570 0.047 0.000 2.286 203 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 203 I C 2.429 178.604 176.117 0.095 0.000 1.104 203 I CA 0.836 62.175 61.300 0.065 0.000 1.397 203 I CB -0.101 37.921 38.000 0.036 0.000 1.072 203 I HN -0.104 nan 8.210 nan 0.000 0.417 204 R N 1.114 121.651 120.500 0.060 0.000 2.096 204 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 204 R C 2.051 178.383 176.300 0.054 0.000 1.127 204 R CA 1.585 57.714 56.100 0.049 0.000 0.968 204 R CB -0.347 29.966 30.300 0.022 0.000 0.861 204 R HN 0.419 nan 8.270 nan 0.000 0.440 205 E N -1.242 118.994 120.200 0.061 0.000 2.072 205 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 205 E C 1.844 178.486 176.600 0.071 0.000 0.985 205 E CA 0.979 57.409 56.400 0.050 0.000 0.801 205 E CB -0.276 29.453 29.700 0.048 0.000 0.750 205 E HN 0.494 nan 8.360 nan 0.000 0.452 206 H N 0.905 120.002 119.070 0.044 0.000 2.290 206 H HA -0.106 4.450 4.556 -0.000 0.000 0.298 206 H C 2.270 177.684 175.328 0.144 0.000 1.087 206 H CA 1.381 57.486 56.048 0.094 0.000 1.291 206 H CB 0.023 29.823 29.762 0.064 0.000 1.369 206 H HN 0.124 nan 8.280 nan 0.000 0.492 207 L N 0.361 121.685 121.223 0.168 0.000 2.056 207 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 207 L C 2.770 179.668 176.870 0.047 0.000 1.078 207 L CA 1.152 56.059 54.840 0.111 0.000 0.749 207 L CB -0.298 41.811 42.059 0.083 0.000 0.901 207 L HN 0.140 nan 8.230 nan 0.000 0.433 208 K N 0.108 120.516 120.400 0.013 0.000 2.147 208 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 208 K C 2.098 178.639 176.600 -0.099 0.000 1.049 208 K CA 1.177 57.446 56.287 -0.031 0.000 0.936 208 K CB -0.155 32.330 32.500 -0.025 0.000 0.722 208 K HN 0.288 nan 8.250 nan 0.000 0.446 209 A N -0.004 122.717 122.820 -0.164 0.000 2.125 209 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 209 A C 0.713 177.930 177.584 -0.611 0.000 1.156 209 A CA 1.461 53.272 52.037 -0.378 0.000 0.671 209 A CB -0.424 18.295 19.000 -0.468 0.000 0.794 209 A HN 0.396 nan 8.150 nan 0.000 0.459 210 H N -2.688 116.317 119.070 -0.109 0.000 2.649 210 H HA 0.404 4.959 4.556 -0.000 0.000 0.258 210 H C 1.201 176.485 175.328 -0.074 0.000 1.165 210 H CA 0.247 56.236 56.048 -0.098 0.000 1.006 210 H CB 0.511 30.203 29.762 -0.117 0.000 1.743 210 H HN 0.479 nan 8.280 nan 0.000 0.609 211 G N 0.426 109.210 108.800 -0.026 0.000 2.162 211 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 211 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 211 G C 1.246 176.138 174.900 -0.014 0.000 0.976 211 G CA 0.301 45.388 45.100 -0.022 0.000 0.655 211 G HN 0.615 nan 8.290 nan 0.000 0.533 212 G N 0.493 109.296 108.800 0.004 0.000 3.383 212 G HA2 0.392 4.351 3.960 -0.000 0.000 0.251 212 G HA3 0.392 4.351 3.960 -0.000 0.000 0.251 212 G C 1.256 176.157 174.900 0.001 0.000 1.203 212 G CA 0.957 46.058 45.100 0.002 0.000 0.852 212 G HN 0.679 nan 8.290 nan 0.000 0.531 213 E N 1.089 121.284 120.200 -0.008 0.000 2.209 213 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 213 E C 1.018 177.621 176.600 0.006 0.000 0.993 213 E CA 0.737 57.135 56.400 -0.004 0.000 0.819 213 E CB -0.252 29.439 29.700 -0.015 0.000 0.745 213 E HN 0.338 nan 8.360 nan 0.000 0.477 214 N N 0.632 119.327 118.700 -0.008 0.000 2.336 214 N HA 0.154 4.894 4.740 -0.000 0.000 0.189 214 N C 0.416 175.911 175.510 -0.026 0.000 1.113 214 N CA 0.022 53.065 53.050 -0.012 0.000 0.858 214 N CB 0.566 39.025 38.487 -0.047 0.000 0.970 214 N HN 0.230 nan 8.380 nan 0.000 0.471 215 I N 2.077 122.637 120.570 -0.016 0.000 2.533 215 I HA -0.040 4.129 4.170 -0.000 0.000 0.284 215 I C 0.226 176.402 176.117 0.099 0.000 1.109 215 I CA -0.122 61.158 61.300 -0.032 0.000 1.412 215 I CB 0.295 38.285 38.000 -0.016 0.000 1.396 215 I HN -0.086 nan 8.210 nan 0.000 0.543 216 H N 6.531 125.508 119.070 -0.156 0.000 2.610 216 H HA 0.424 4.979 4.556 -0.000 0.000 0.336 216 H C -0.153 175.258 175.328 0.138 0.000 1.087 216 H CA -0.409 55.633 56.048 -0.010 0.000 1.405 216 H CB 0.813 30.581 29.762 0.010 0.000 1.460 216 H HN 0.384 nan 8.280 nan 0.000 0.538 217 I N 4.726 125.405 120.570 0.181 0.000 2.328 217 I HA 0.113 4.283 4.170 -0.000 0.000 0.287 217 I C -0.218 175.978 176.117 0.132 0.000 1.012 217 I CA -0.604 60.780 61.300 0.140 0.000 1.195 217 I CB 0.704 38.744 38.000 0.066 0.000 1.350 217 I HN 0.305 nan 8.210 nan 0.000 0.464 218 I N 5.820 126.484 120.570 0.157 0.000 2.297 218 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 218 I C 0.364 176.524 176.117 0.072 0.000 1.033 218 I CA 0.530 61.890 61.300 0.100 0.000 1.253 218 I CB 1.064 39.109 38.000 0.076 0.000 1.396 218 I HN 0.439 nan 8.210 nan 0.000 0.476 219 S N 6.348 122.079 115.700 0.053 0.000 2.499 219 S HA 0.311 4.781 4.470 -0.000 0.000 0.275 219 S C 0.038 174.678 174.600 0.066 0.000 1.257 219 S CA -0.724 57.504 58.200 0.047 0.000 1.050 219 S CB 0.326 63.536 63.200 0.016 0.000 0.937 219 S HN 0.344 nan 8.310 nan 0.000 0.490 220 K N 3.097 123.537 120.400 0.067 0.000 2.263 220 K HA 0.294 4.613 4.320 -0.000 0.000 0.282 220 K C -0.566 176.074 176.600 0.067 0.000 1.089 220 K CA -0.375 55.956 56.287 0.074 0.000 0.907 220 K CB 0.379 32.929 32.500 0.082 0.000 1.148 220 K HN 0.419 nan 8.250 nan 0.000 0.470 221 I N 3.533 124.149 120.570 0.077 0.000 2.379 221 I HA 0.038 4.208 4.170 -0.000 0.000 0.290 221 I C 0.677 176.816 176.117 0.037 0.000 1.063 221 I CA 0.428 61.761 61.300 0.055 0.000 1.351 221 I CB 0.630 38.696 38.000 0.110 0.000 1.410 221 I HN 0.746 nan 8.210 nan 0.000 0.505 222 E N 4.462 124.671 120.200 0.014 0.000 2.676 222 E HA 0.110 4.460 4.350 -0.000 0.000 0.222 222 E C -0.463 176.167 176.600 0.050 0.000 0.968 222 E CA -0.195 56.247 56.400 0.070 0.000 1.090 222 E CB 0.666 30.483 29.700 0.195 0.000 1.066 222 E HN 0.870 nan 8.360 nan 0.000 0.496 223 N N -1.744 116.930 118.700 -0.044 0.000 3.116 223 N HA 0.000 4.740 4.740 -0.000 0.000 0.244 223 N C 0.239 175.714 175.510 -0.058 0.000 1.485 223 N CA -0.624 52.400 53.050 -0.045 0.000 0.884 223 N CB 0.712 39.141 38.487 -0.097 0.000 1.415 223 N HN -0.263 nan 8.380 nan 0.000 0.524 224 Q N 0.084 119.864 119.800 -0.034 0.000 2.119 224 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 224 Q C 1.471 177.452 176.000 -0.032 0.000 0.972 224 Q CA 2.091 57.881 55.803 -0.021 0.000 0.847 224 Q CB -0.200 28.535 28.738 -0.006 0.000 0.903 224 Q HN 0.771 nan 8.270 nan 0.000 0.433 225 E N -1.329 118.834 120.200 -0.062 0.000 2.058 225 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 225 E C 1.777 178.338 176.600 -0.066 0.000 0.997 225 E CA 1.285 57.644 56.400 -0.067 0.000 0.801 225 E CB -0.569 29.072 29.700 -0.099 0.000 0.746 225 E HN 0.524 nan 8.360 nan 0.000 0.450 226 G N 1.012 109.750 108.800 -0.104 0.000 2.422 226 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 226 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 226 G C 1.481 176.405 174.900 0.041 0.000 1.146 226 G CA 0.710 45.773 45.100 -0.061 0.000 0.769 226 G HN 0.240 nan 8.290 nan 0.000 0.547 227 L N 1.364 122.607 121.223 0.034 0.000 1.994 227 L HA -0.035 4.304 4.340 -0.000 0.000 0.208 227 L C 2.440 179.362 176.870 0.086 0.000 1.071 227 L CA 2.033 56.914 54.840 0.068 0.000 0.745 227 L CB -1.030 41.038 42.059 0.016 0.000 0.892 227 L HN 0.276 nan 8.230 nan 0.000 0.431 228 N N -0.636 118.088 118.700 0.040 0.000 2.289 228 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 228 N C 0.837 176.373 175.510 0.044 0.000 1.016 228 N CA 1.098 54.169 53.050 0.036 0.000 0.872 228 N CB -0.157 38.337 38.487 0.011 0.000 0.973 228 N HN 0.346 nan 8.380 nan 0.000 0.433 229 N N -0.142 118.580 118.700 0.038 0.000 2.268 229 N HA 0.035 4.774 4.740 -0.000 0.000 0.204 229 N C 0.631 176.149 175.510 0.015 0.000 1.124 229 N CA -0.129 52.930 53.050 0.015 0.000 0.838 229 N CB -0.008 38.467 38.487 -0.022 0.000 0.994 229 N HN 0.183 nan 8.380 nan 0.000 0.489 230 F N 2.443 122.377 119.950 -0.026 0.000 2.063 230 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 230 F C 1.672 177.463 175.800 -0.016 0.000 1.109 230 F CA 1.751 59.738 58.000 -0.021 0.000 1.212 230 F CB -0.027 38.965 39.000 -0.013 0.000 0.973 230 F HN -0.026 nan 8.300 nan 0.000 0.480 231 D N 0.066 120.419 120.400 -0.078 0.000 2.133 231 D HA -0.248 4.392 4.640 -0.000 0.000 0.195 231 D C 2.191 178.367 176.300 -0.207 0.000 0.997 231 D CA 1.817 55.733 54.000 -0.140 0.000 0.840 231 D CB -0.554 40.246 40.800 0.001 0.000 0.947 231 D HN 0.719 nan 8.370 nan 0.000 0.452 232 E N 0.470 120.580 120.200 -0.149 0.000 2.112 232 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 232 E C 2.263 178.763 176.600 -0.166 0.000 0.979 232 E CA 0.462 56.787 56.400 -0.125 0.000 0.814 232 E CB -0.389 29.266 29.700 -0.075 0.000 0.762 232 E HN 0.231 nan 8.360 nan 0.000 0.460 233 I N 0.786 121.227 120.570 -0.215 0.000 2.208 233 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 233 I C 2.563 178.500 176.117 -0.300 0.000 1.097 233 I CA 0.759 61.922 61.300 -0.228 0.000 1.363 233 I CB -0.235 37.635 38.000 -0.216 0.000 1.051 233 I HN 0.225 nan 8.210 nan 0.000 0.413 234 L N 0.755 121.668 121.223 -0.517 0.000 2.093 234 L HA -0.186 4.153 4.340 -0.000 0.000 0.208 234 L C 2.451 179.182 176.870 -0.232 0.000 1.085 234 L CA 1.822 56.395 54.840 -0.446 0.000 0.755 234 L CB -0.793 40.866 42.059 -0.665 0.000 0.904 234 L HN 0.201 nan 8.230 nan 0.000 0.435 235 E N -0.055 120.030 120.200 -0.192 0.000 2.110 235 E HA -0.206 4.143 4.350 -0.000 0.000 0.193 235 E C 1.983 178.521 176.600 -0.102 0.000 0.988 235 E CA 1.317 57.647 56.400 -0.118 0.000 0.804 235 E CB 0.011 29.656 29.700 -0.091 0.000 0.745 235 E HN 0.589 nan 8.360 nan 0.000 0.458 236 A N 0.490 123.246 122.820 -0.108 0.000 2.014 236 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 236 A C 1.607 179.144 177.584 -0.079 0.000 1.163 236 A CA 0.679 52.666 52.037 -0.082 0.000 0.652 236 A CB -0.015 18.942 19.000 -0.072 0.000 0.808 236 A HN 0.204 nan 8.150 nan 0.000 0.449 237 S N -0.008 115.636 115.700 -0.094 0.000 2.713 237 S HA 0.307 4.776 4.470 -0.000 0.000 0.277 237 S C -0.001 174.544 174.600 -0.091 0.000 1.168 237 S CA -0.404 57.752 58.200 -0.073 0.000 0.994 237 S CB 0.650 63.814 63.200 -0.059 0.000 1.054 237 S HN 0.404 nan 8.310 nan 0.000 0.555 238 D N 0.179 120.523 120.400 -0.093 0.000 2.360 238 D HA 0.302 4.941 4.640 -0.000 0.000 0.210 238 D C 0.743 177.024 176.300 -0.031 0.000 1.047 238 D CA 0.430 54.341 54.000 -0.147 0.000 0.854 238 D CB 0.488 41.056 40.800 -0.387 0.000 0.936 238 D HN 0.619 nan 8.370 nan 0.000 0.514 239 G N 0.041 108.846 108.800 0.009 0.000 2.441 239 G HA2 0.428 4.388 3.960 -0.000 0.000 0.294 239 G HA3 0.428 4.388 3.960 -0.000 0.000 0.294 239 G C -1.957 172.970 174.900 0.044 0.000 1.393 239 G CA -0.601 44.520 45.100 0.035 0.000 0.796 239 G HN -0.076 nan 8.290 nan 0.000 0.494 240 I N 0.507 121.118 120.570 0.068 0.000 2.619 240 I HA 0.500 4.670 4.170 -0.000 0.000 0.292 240 I C -0.432 175.728 176.117 0.072 0.000 1.100 240 I CA -0.752 60.615 61.300 0.111 0.000 1.043 240 I CB 1.954 40.100 38.000 0.243 0.000 1.239 240 I HN 0.668 nan 8.210 nan 0.000 0.420 241 M N 6.350 125.990 119.600 0.067 0.000 2.066 241 M HA 0.412 4.891 4.480 -0.000 0.000 0.340 241 M C -1.133 175.196 176.300 0.049 0.000 1.053 241 M CA -0.680 54.646 55.300 0.043 0.000 0.983 241 M CB 1.050 33.672 32.600 0.036 0.000 1.520 241 M HN 0.288 nan 8.290 nan 0.000 0.428 242 V N 5.263 125.195 119.914 0.029 0.000 2.403 242 V HA 0.212 4.331 4.120 -0.000 0.000 0.265 242 V C 0.620 176.723 176.094 0.014 0.000 1.034 242 V CA -0.294 62.013 62.300 0.011 0.000 1.036 242 V CB -0.170 31.644 31.823 -0.014 0.000 1.032 242 V HN 0.867 nan 8.190 nan 0.000 0.478 243 A N 5.465 128.300 122.820 0.024 0.000 2.774 243 A HA 0.479 4.799 4.320 -0.000 0.000 0.326 243 A C 1.269 178.865 177.584 0.020 0.000 1.478 243 A CA -0.547 51.507 52.037 0.029 0.000 1.099 243 A CB -0.058 18.973 19.000 0.051 0.000 1.148 243 A HN 0.849 nan 8.150 nan 0.000 0.519 244 R N 1.626 122.131 120.500 0.007 0.000 2.075 244 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 244 R C 2.366 178.670 176.300 0.006 0.000 1.126 244 R CA 1.888 57.986 56.100 -0.002 0.000 0.963 244 R CB -0.308 29.983 30.300 -0.014 0.000 0.858 244 R HN 0.690 nan 8.270 nan 0.000 0.435 245 G N 1.067 109.874 108.800 0.012 0.000 2.459 245 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 245 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 245 G C 0.935 175.850 174.900 0.026 0.000 1.183 245 G CA 1.232 46.341 45.100 0.016 0.000 0.776 245 G HN 0.239 nan 8.290 nan 0.000 0.552 246 D N 0.479 120.902 120.400 0.038 0.000 2.087 246 D HA -0.089 4.551 4.640 -0.000 0.000 0.192 246 D C 2.658 178.993 176.300 0.057 0.000 0.993 246 D CA 0.692 54.727 54.000 0.058 0.000 0.828 246 D CB -0.313 40.537 40.800 0.083 0.000 0.968 246 D HN 0.238 nan 8.370 nan 0.000 0.448 247 L N 0.970 122.219 121.223 0.043 0.000 2.079 247 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 247 L C 2.618 179.502 176.870 0.024 0.000 1.081 247 L CA 1.344 56.202 54.840 0.030 0.000 0.752 247 L CB -0.690 41.377 42.059 0.013 0.000 0.896 247 L HN 0.104 nan 8.230 nan 0.000 0.433 248 G N -0.796 108.014 108.800 0.017 0.000 2.475 248 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 248 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 248 G C 1.502 176.413 174.900 0.019 0.000 1.125 248 G CA 0.993 46.100 45.100 0.012 0.000 0.755 248 G HN 0.279 nan 8.290 nan 0.000 0.565 249 V N 0.140 120.071 119.914 0.028 0.000 2.719 249 V HA -0.023 4.097 4.120 -0.000 0.000 0.252 249 V C 2.481 178.598 176.094 0.038 0.000 1.065 249 V CA 1.634 63.953 62.300 0.033 0.000 1.086 249 V CB -0.028 31.819 31.823 0.040 0.000 0.700 249 V HN 0.323 nan 8.190 nan 0.000 0.467 250 E N -0.004 120.221 120.200 0.042 0.000 2.340 250 E HA 0.269 4.618 4.350 -0.000 0.000 0.198 250 E C 0.715 177.334 176.600 0.032 0.000 0.961 250 E CA 0.332 56.760 56.400 0.047 0.000 0.905 250 E CB 0.802 30.538 29.700 0.060 0.000 0.884 250 E HN 0.694 nan 8.360 nan 0.000 0.491 251 I N -1.433 119.152 120.570 0.025 0.000 3.002 251 I HA 0.508 4.678 4.170 -0.000 0.000 0.310 251 I C -2.606 173.524 176.117 0.021 0.000 1.087 251 I CA -2.838 58.475 61.300 0.021 0.000 1.017 251 I CB 1.850 39.862 38.000 0.019 0.000 1.226 251 I HN -0.334 nan 8.210 nan 0.000 0.443 252 P HA -0.006 nan 4.420 nan 0.000 0.265 252 P C 1.127 178.441 177.300 0.024 0.000 1.193 252 P CA -0.223 62.891 63.100 0.024 0.000 0.765 252 P CB 0.990 32.706 31.700 0.027 0.000 0.823 253 V N 1.579 121.503 119.914 0.018 0.000 2.469 253 V HA -0.230 3.890 4.120 -0.000 0.000 0.251 253 V C 1.975 178.074 176.094 0.007 0.000 1.064 253 V CA 2.062 64.367 62.300 0.008 0.000 1.066 253 V CB -1.556 30.268 31.823 0.002 0.000 0.667 253 V HN 0.621 nan 8.190 nan 0.000 0.461 254 E N 0.390 120.608 120.200 0.030 0.000 2.511 254 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 254 E C 1.391 178.060 176.600 0.114 0.000 1.066 254 E CA 0.702 57.134 56.400 0.054 0.000 0.871 254 E CB -0.164 29.582 29.700 0.076 0.000 0.863 254 E HN 0.663 nan 8.360 nan 0.000 0.520 255 E N 0.698 120.951 120.200 0.088 0.000 2.452 255 E HA 0.053 4.403 4.350 -0.000 0.000 0.197 255 E C 2.076 178.722 176.600 0.077 0.000 1.022 255 E CA 0.240 56.719 56.400 0.132 0.000 0.890 255 E CB 0.448 30.199 29.700 0.085 0.000 0.918 255 E HN 0.155 nan 8.360 nan 0.000 0.496 256 V N 1.584 121.498 119.914 -0.000 0.000 2.379 256 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 256 V C 2.356 178.400 176.094 -0.083 0.000 1.044 256 V CA 1.447 63.728 62.300 -0.032 0.000 1.036 256 V CB -0.715 31.087 31.823 -0.035 0.000 0.664 256 V HN 0.188 nan 8.190 nan 0.000 0.453 257 I N -0.838 119.618 120.570 -0.190 0.000 2.194 257 I HA -0.237 3.933 4.170 -0.000 0.000 0.246 257 I C 2.254 178.221 176.117 -0.250 0.000 1.093 257 I CA 2.003 63.122 61.300 -0.301 0.000 1.355 257 I CB -1.033 36.627 38.000 -0.566 0.000 1.046 257 I HN 0.133 nan 8.210 nan 0.000 0.413 258 F N 1.355 121.280 119.950 -0.042 0.000 2.259 258 F HA 0.078 4.605 4.527 -0.000 0.000 0.298 258 F C 2.612 178.367 175.800 -0.074 0.000 1.088 258 F CA 0.694 58.664 58.000 -0.050 0.000 1.358 258 F CB -1.094 37.883 39.000 -0.039 0.000 1.040 258 F HN 0.062 nan 8.300 nan 0.000 0.505 259 A N -0.446 122.417 122.820 0.072 0.000 1.930 259 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 259 A C 2.235 179.762 177.584 -0.094 0.000 1.175 259 A CA 1.648 53.668 52.037 -0.028 0.000 0.627 259 A CB -0.793 18.189 19.000 -0.031 0.000 0.815 259 A HN 0.450 nan 8.150 nan 0.000 0.443 260 Q N -0.042 119.716 119.800 -0.070 0.000 1.994 260 Q HA -0.178 4.162 4.340 -0.000 0.000 0.198 260 Q C 1.934 177.890 176.000 -0.073 0.000 0.976 260 Q CA 1.712 57.466 55.803 -0.082 0.000 0.828 260 Q CB -0.200 28.496 28.738 -0.071 0.000 0.894 260 Q HN 0.631 nan 8.270 nan 0.000 0.432 261 K N 0.159 120.538 120.400 -0.036 0.000 2.063 261 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 261 K C 2.213 178.808 176.600 -0.008 0.000 1.048 261 K CA 1.532 57.818 56.287 -0.001 0.000 0.928 261 K CB -0.264 32.270 32.500 0.058 0.000 0.713 261 K HN 0.353 nan 8.250 nan 0.000 0.442 262 M N 0.742 120.329 119.600 -0.023 0.000 2.117 262 M HA -0.138 4.342 4.480 -0.000 0.000 0.262 262 M C 1.960 178.150 176.300 -0.183 0.000 1.065 262 M CA 1.728 56.985 55.300 -0.072 0.000 1.114 262 M CB -0.203 32.351 32.600 -0.077 0.000 1.361 262 M HN 0.206 nan 8.290 nan 0.000 0.408 263 M N -0.396 119.001 119.600 -0.337 0.000 2.132 263 M HA -0.181 4.298 4.480 -0.000 0.000 0.263 263 M C 2.116 178.319 176.300 -0.161 0.000 1.065 263 M CA 1.376 56.339 55.300 -0.562 0.000 1.122 263 M CB -0.464 31.730 32.600 -0.677 0.000 1.365 263 M HN 0.245 nan 8.290 nan 0.000 0.411 264 I N 0.019 120.543 120.570 -0.075 0.000 2.226 264 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 264 I C 2.526 178.674 176.117 0.052 0.000 1.100 264 I CA 1.381 62.689 61.300 0.014 0.000 1.374 264 I CB -0.504 37.509 38.000 0.022 0.000 1.057 264 I HN 0.422 nan 8.210 nan 0.000 0.413 265 E N 1.811 122.031 120.200 0.033 0.000 2.023 265 E HA -0.278 4.072 4.350 -0.000 0.000 0.196 265 E C 2.151 178.795 176.600 0.074 0.000 1.003 265 E CA 1.569 58.001 56.400 0.053 0.000 0.809 265 E CB 0.018 29.736 29.700 0.031 0.000 0.755 265 E HN 0.355 nan 8.360 nan 0.000 0.449 266 K N -0.100 120.352 120.400 0.086 0.000 2.152 266 K HA -0.160 4.159 4.320 -0.000 0.000 0.206 266 K C 2.302 178.999 176.600 0.161 0.000 1.048 266 K CA 1.394 57.772 56.287 0.150 0.000 0.933 266 K CB -0.244 32.422 32.500 0.277 0.000 0.721 266 K HN 0.264 nan 8.250 nan 0.000 0.447 267 C N 0.652 120.055 119.300 0.172 0.000 2.429 267 C HA -0.083 4.376 4.460 -0.000 0.000 0.277 267 C C 2.465 177.493 174.990 0.064 0.000 1.262 267 C CA 0.486 59.583 59.018 0.131 0.000 1.733 267 C CB -0.654 27.164 27.740 0.130 0.000 2.010 267 C HN 0.412 nan 8.230 nan 0.000 0.483 268 I N 0.244 120.852 120.570 0.063 0.000 2.163 268 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 268 I C 2.807 178.920 176.117 -0.007 0.000 1.085 268 I CA 1.576 62.893 61.300 0.029 0.000 1.347 268 I CB -0.579 37.494 38.000 0.121 0.000 1.044 268 I HN 0.307 nan 8.210 nan 0.000 0.408 269 R N 0.695 121.210 120.500 0.025 0.000 2.096 269 R HA -0.188 4.152 4.340 -0.000 0.000 0.240 269 R C 2.218 178.520 176.300 0.003 0.000 1.139 269 R CA 1.736 57.844 56.100 0.014 0.000 0.952 269 R CB -0.501 29.823 30.300 0.042 0.000 0.854 269 R HN 0.397 nan 8.270 nan 0.000 0.436 270 A N 0.675 123.504 122.820 0.016 0.000 2.239 270 A HA -0.054 4.266 4.320 -0.000 0.000 0.209 270 A C 0.431 178.007 177.584 -0.013 0.000 1.171 270 A CA 0.380 52.419 52.037 0.003 0.000 0.768 270 A CB -0.169 18.834 19.000 0.005 0.000 0.790 270 A HN 0.338 nan 8.150 nan 0.000 0.478 271 R N -1.293 119.190 120.500 -0.029 0.000 3.416 271 R HA -0.166 4.174 4.340 -0.000 0.000 0.263 271 R C -0.822 175.468 176.300 -0.016 0.000 1.053 271 R CA 1.453 57.530 56.100 -0.038 0.000 0.705 271 R CB -1.920 28.361 30.300 -0.031 0.000 1.124 271 R HN 0.642 nan 8.270 nan 0.000 0.444 272 K N -0.082 120.314 120.400 -0.007 0.000 2.316 272 K HA 0.471 4.791 4.320 -0.000 0.000 0.251 272 K C 0.239 176.850 176.600 0.018 0.000 0.934 272 K CA -0.886 55.406 56.287 0.009 0.000 0.802 272 K CB 2.211 34.709 32.500 -0.002 0.000 1.171 272 K HN 0.007 nan 8.250 nan 0.000 0.426 273 V N -0.471 119.463 119.914 0.033 0.000 2.963 273 V HA 0.283 4.402 4.120 -0.000 0.000 0.306 273 V C 0.054 176.152 176.094 0.007 0.000 1.077 273 V CA -0.645 61.659 62.300 0.006 0.000 1.124 273 V CB 1.103 32.915 31.823 -0.019 0.000 0.987 273 V HN 0.517 nan 8.190 nan 0.000 0.487 274 V N 5.139 125.051 119.914 -0.004 0.000 2.569 274 V HA 0.527 4.647 4.120 -0.000 0.000 0.301 274 V C -0.483 175.605 176.094 -0.010 0.000 1.044 274 V CA -0.505 61.803 62.300 0.013 0.000 0.874 274 V CB 1.522 33.370 31.823 0.042 0.000 1.002 274 V HN 0.835 nan 8.190 nan 0.000 0.424 275 I N 5.611 126.170 120.570 -0.018 0.000 2.331 275 I HA 0.352 4.522 4.170 -0.000 0.000 0.292 275 I C 0.262 176.375 176.117 -0.005 0.000 0.998 275 I CA -0.284 61.001 61.300 -0.026 0.000 1.267 275 I CB 1.797 39.770 38.000 -0.044 0.000 1.386 275 I HN 0.471 nan 8.210 nan 0.000 0.476 276 T N 6.063 120.615 114.554 -0.004 0.000 2.747 276 T HA 0.378 4.727 4.350 -0.000 0.000 0.301 276 T C 0.775 175.475 174.700 -0.000 0.000 0.952 276 T CA -0.265 61.834 62.100 -0.002 0.000 0.983 276 T CB 1.409 70.276 68.868 -0.003 0.000 0.930 276 T HN 0.809 nan 8.240 nan 0.000 0.494 277 A N 3.673 126.496 122.820 0.004 0.000 1.963 277 A HA 0.299 4.619 4.320 -0.000 0.000 0.211 277 A C 1.565 179.156 177.584 0.012 0.000 1.380 277 A CA 0.238 52.280 52.037 0.009 0.000 0.690 277 A CB -0.555 18.456 19.000 0.018 0.000 1.060 277 A HN 0.689 nan 8.150 nan 0.000 0.498 278 T N -3.756 110.807 114.554 0.014 0.000 2.849 278 T HA 0.441 4.790 4.350 -0.000 0.000 0.284 278 T C 0.436 175.140 174.700 0.008 0.000 1.004 278 T CA 0.325 62.434 62.100 0.015 0.000 1.021 278 T CB 0.476 69.357 68.868 0.021 0.000 1.013 278 T HN 0.605 nan 8.240 nan 0.000 0.527 279 M N 0.789 120.394 119.600 0.008 0.000 2.297 279 M HA -0.189 4.291 4.480 -0.000 0.000 0.200 279 M C 0.386 176.686 176.300 -0.001 0.000 0.414 279 M CA 0.083 55.385 55.300 0.003 0.000 0.449 279 M CB -1.139 31.461 32.600 -0.000 0.000 1.436 279 M HN 0.679 nan 8.290 nan 0.000 0.912 280 M N -0.416 119.185 119.600 0.002 0.000 2.156 280 M HA 0.189 4.669 4.480 -0.000 0.000 0.238 280 M C 1.258 177.557 176.300 -0.001 0.000 1.165 280 M CA 1.536 56.836 55.300 -0.000 0.000 1.153 280 M CB -0.398 32.203 32.600 0.003 0.000 1.200 280 M HN 0.477 nan 8.290 nan 0.000 0.442 281 L N 0.682 121.907 121.223 0.003 0.000 3.030 281 L HA 0.194 4.533 4.340 -0.000 0.000 0.252 281 L C 0.452 177.326 176.870 0.007 0.000 1.316 281 L CA -0.445 54.396 54.840 0.002 0.000 0.975 281 L CB 0.085 42.145 42.059 0.002 0.000 1.357 281 L HN 0.215 nan 8.230 nan 0.000 0.534 282 D N 0.657 121.061 120.400 0.007 0.000 2.182 282 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 282 D C 2.230 178.538 176.300 0.014 0.000 0.986 282 D CA 1.800 55.807 54.000 0.011 0.000 0.847 282 D CB 0.303 41.108 40.800 0.008 0.000 0.942 282 D HN 0.481 nan 8.370 nan 0.000 0.467 283 S N 0.136 115.841 115.700 0.008 0.000 2.419 283 S HA -0.149 4.320 4.470 -0.000 0.000 0.235 283 S C 1.824 176.436 174.600 0.020 0.000 1.019 283 S CA 0.625 58.831 58.200 0.009 0.000 0.982 283 S CB -0.438 62.760 63.200 -0.004 0.000 0.789 283 S HN 0.240 nan 8.310 nan 0.000 0.490 284 M N 0.489 120.101 119.600 0.020 0.000 2.740 284 M HA 0.203 4.682 4.480 -0.000 0.000 0.230 284 M C 1.022 177.386 176.300 0.107 0.000 1.100 284 M CA 0.519 55.844 55.300 0.041 0.000 1.047 284 M CB -0.673 31.941 32.600 0.023 0.000 1.652 284 M HN 0.375 nan 8.290 nan 0.000 0.528 285 I N -0.096 120.522 120.570 0.080 0.000 3.030 285 I HA -0.164 4.006 4.170 -0.000 0.000 0.270 285 I C 1.870 178.050 176.117 0.103 0.000 1.211 285 I CA 1.060 62.406 61.300 0.076 0.000 1.479 285 I CB 0.079 38.099 38.000 0.034 0.000 1.105 285 I HN 0.241 nan 8.210 nan 0.000 0.447 286 K N -0.400 120.072 120.400 0.120 0.000 2.435 286 K HA 0.246 4.566 4.320 -0.000 0.000 0.199 286 K C 0.119 176.860 176.600 0.235 0.000 1.153 286 K CA 0.118 56.495 56.287 0.150 0.000 0.974 286 K CB 0.495 33.041 32.500 0.077 0.000 0.997 286 K HN 0.189 nan 8.250 nan 0.000 0.547 287 N N 1.909 120.682 118.700 0.123 0.000 2.321 287 N HA 0.170 4.909 4.740 -0.000 0.000 0.299 287 N C -2.457 172.827 175.510 -0.378 0.000 1.048 287 N CA -1.535 51.467 53.050 -0.080 0.000 0.836 287 N CB 2.161 40.607 38.487 -0.069 0.000 1.269 287 N HN -0.171 nan 8.380 nan 0.000 0.486 288 P HA 0.069 nan 4.420 nan 0.000 0.249 288 P C -0.358 176.716 177.300 -0.377 0.000 1.229 288 P CA 0.641 63.154 63.100 -0.979 0.000 0.788 288 P CB 0.606 31.540 31.700 -1.278 0.000 1.072 289 R N 0.492 120.839 120.500 -0.254 0.000 2.795 289 R HA 0.532 4.872 4.340 -0.000 0.000 0.275 289 R C -2.725 173.521 176.300 -0.091 0.000 0.981 289 R CA -2.181 53.837 56.100 -0.137 0.000 0.917 289 R CB 1.760 31.992 30.300 -0.113 0.000 1.202 289 R HN -0.045 nan 8.270 nan 0.000 0.469 290 P HA 0.174 nan 4.420 nan 0.000 0.280 290 P C -0.538 176.743 177.300 -0.033 0.000 1.272 290 P CA -0.429 62.648 63.100 -0.038 0.000 0.819 290 P CB 0.768 32.452 31.700 -0.027 0.000 1.122 291 T N 1.146 115.686 114.554 -0.025 0.000 2.900 291 T HA 0.040 4.389 4.350 -0.000 0.000 0.307 291 T C 1.572 176.260 174.700 -0.020 0.000 1.065 291 T CA -0.273 61.815 62.100 -0.021 0.000 1.105 291 T CB 0.339 69.197 68.868 -0.017 0.000 0.979 291 T HN 0.463 nan 8.240 nan 0.000 0.544 292 R N 1.451 121.940 120.500 -0.019 0.000 2.096 292 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 292 R C 2.245 178.535 176.300 -0.017 0.000 1.127 292 R CA 1.684 57.773 56.100 -0.017 0.000 0.968 292 R CB -0.778 29.513 30.300 -0.016 0.000 0.861 292 R HN 0.701 nan 8.270 nan 0.000 0.440 293 A N 1.274 124.084 122.820 -0.017 0.000 1.933 293 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 293 A C 1.969 179.542 177.584 -0.019 0.000 1.175 293 A CA 1.624 53.650 52.037 -0.018 0.000 0.628 293 A CB -0.342 18.647 19.000 -0.017 0.000 0.814 293 A HN 0.566 nan 8.150 nan 0.000 0.444 294 E N -0.451 119.739 120.200 -0.017 0.000 2.046 294 E HA -0.017 4.333 4.350 -0.000 0.000 0.190 294 E C 2.347 178.938 176.600 -0.014 0.000 0.982 294 E CA 0.858 57.249 56.400 -0.015 0.000 0.800 294 E CB -0.268 29.424 29.700 -0.013 0.000 0.756 294 E HN 0.593 nan 8.360 nan 0.000 0.449 295 A N 1.077 123.888 122.820 -0.015 0.000 1.933 295 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 295 A C 2.373 179.949 177.584 -0.013 0.000 1.175 295 A CA 1.671 53.700 52.037 -0.013 0.000 0.628 295 A CB -1.094 17.898 19.000 -0.013 0.000 0.814 295 A HN 0.363 nan 8.150 nan 0.000 0.444 296 G N -0.211 108.580 108.800 -0.016 0.000 2.421 296 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.216 296 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.216 296 G C 1.274 176.161 174.900 -0.022 0.000 1.171 296 G CA 1.405 46.494 45.100 -0.018 0.000 0.775 296 G HN 0.584 nan 8.290 nan 0.000 0.543 297 D N -0.264 120.122 120.400 -0.023 0.000 2.104 297 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 297 D C 2.649 178.936 176.300 -0.022 0.000 0.994 297 D CA 1.261 55.245 54.000 -0.027 0.000 0.830 297 D CB -0.109 40.676 40.800 -0.026 0.000 0.959 297 D HN 0.135 nan 8.370 nan 0.000 0.452 298 V N 0.877 120.782 119.914 -0.015 0.000 2.255 298 V HA -0.280 3.839 4.120 -0.000 0.000 0.247 298 V C 2.600 178.691 176.094 -0.005 0.000 1.051 298 V CA 1.976 64.271 62.300 -0.008 0.000 1.018 298 V CB -1.140 30.681 31.823 -0.004 0.000 0.641 298 V HN 0.379 nan 8.190 nan 0.000 0.445 299 A N 0.347 123.163 122.820 -0.006 0.000 1.903 299 A HA -0.314 4.005 4.320 -0.000 0.000 0.219 299 A C 2.063 179.642 177.584 -0.007 0.000 1.191 299 A CA 2.409 54.443 52.037 -0.004 0.000 0.638 299 A CB -0.826 18.170 19.000 -0.006 0.000 0.823 299 A HN 0.612 nan 8.150 nan 0.000 0.451 300 N N -0.027 118.662 118.700 -0.017 0.000 2.223 300 N HA -0.076 4.663 4.740 -0.000 0.000 0.185 300 N C 1.823 177.321 175.510 -0.021 0.000 1.016 300 N CA 1.390 54.425 53.050 -0.024 0.000 0.863 300 N CB -0.447 38.017 38.487 -0.039 0.000 0.983 300 N HN 0.517 nan 8.380 nan 0.000 0.429 301 A N 0.970 123.781 122.820 -0.015 0.000 1.929 301 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 301 A C 2.299 179.893 177.584 0.017 0.000 1.176 301 A CA 0.566 52.600 52.037 -0.006 0.000 0.628 301 A CB -0.460 18.535 19.000 -0.008 0.000 0.816 301 A HN 0.173 nan 8.150 nan 0.000 0.444 302 I N -0.214 120.369 120.570 0.022 0.000 2.163 302 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 302 I C 2.313 178.460 176.117 0.050 0.000 1.085 302 I CA 1.206 62.534 61.300 0.046 0.000 1.347 302 I CB -0.335 37.688 38.000 0.039 0.000 1.044 302 I HN 0.276 nan 8.210 nan 0.000 0.408 303 L N 0.143 121.375 121.223 0.015 0.000 2.141 303 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 303 L C 2.028 178.882 176.870 -0.026 0.000 1.094 303 L CA 1.023 55.856 54.840 -0.012 0.000 0.763 303 L CB -0.613 41.433 42.059 -0.022 0.000 0.908 303 L HN 0.265 nan 8.230 nan 0.000 0.437 304 D N 0.100 120.496 120.400 -0.006 0.000 2.178 304 D HA -0.078 4.561 4.640 -0.000 0.000 0.202 304 D C 1.585 177.902 176.300 0.028 0.000 0.974 304 D CA 1.543 55.540 54.000 -0.005 0.000 0.841 304 D CB 0.123 40.922 40.800 -0.001 0.000 0.953 304 D HN 0.417 nan 8.370 nan 0.000 0.478 305 G N 0.074 108.929 108.800 0.092 0.000 2.148 305 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.120 305 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.120 305 G C 0.337 175.378 174.900 0.234 0.000 1.034 305 G CA 0.134 45.393 45.100 0.266 0.000 0.710 305 G HN 0.284 nan 8.290 nan 0.000 0.495 306 T N -0.651 113.974 114.554 0.117 0.000 2.788 306 T HA 0.306 4.656 4.350 -0.000 0.000 0.333 306 T C 0.969 175.695 174.700 0.043 0.000 1.090 306 T CA 0.902 63.041 62.100 0.064 0.000 1.094 306 T CB 1.194 70.082 68.868 0.033 0.000 0.999 306 T HN 0.060 nan 8.240 nan 0.000 0.549 307 D N 0.642 121.042 120.400 -0.001 0.000 2.162 307 D HA 0.362 5.002 4.640 -0.000 0.000 0.205 307 D C 0.720 177.009 176.300 -0.018 0.000 0.964 307 D CA 1.142 55.124 54.000 -0.030 0.000 0.847 307 D CB 0.118 40.890 40.800 -0.048 0.000 0.988 307 D HN 0.825 nan 8.370 nan 0.000 0.480 308 A N -0.056 122.753 122.820 -0.019 0.000 2.539 308 A HA 0.642 4.962 4.320 -0.000 0.000 0.296 308 A C -1.100 176.476 177.584 -0.012 0.000 1.073 308 A CA -0.764 51.260 52.037 -0.022 0.000 0.700 308 A CB 1.439 20.408 19.000 -0.052 0.000 1.296 308 A HN 0.047 nan 8.150 nan 0.000 0.405 309 V N -0.662 119.248 119.914 -0.006 0.000 2.769 309 V HA 0.839 4.959 4.120 -0.000 0.000 0.312 309 V C -0.245 175.847 176.094 -0.002 0.000 1.061 309 V CA -0.795 61.503 62.300 -0.002 0.000 0.931 309 V CB 1.771 33.597 31.823 0.004 0.000 1.010 309 V HN 1.014 nan 8.190 nan 0.000 0.433 310 M N 4.263 123.863 119.600 0.000 0.000 2.311 310 M HA 0.571 5.051 4.480 -0.000 0.000 0.325 310 M C -1.613 174.693 176.300 0.010 0.000 1.061 310 M CA -0.752 54.550 55.300 0.004 0.000 0.957 310 M CB 1.886 34.488 32.600 0.004 0.000 1.646 310 M HN 0.738 nan 8.290 nan 0.000 0.434 311 L N 3.652 124.883 121.223 0.014 0.000 2.260 311 L HA 0.317 4.657 4.340 -0.000 0.000 0.289 311 L C 0.417 177.299 176.870 0.021 0.000 1.057 311 L CA -0.275 54.576 54.840 0.017 0.000 0.811 311 L CB 1.384 43.454 42.059 0.019 0.000 1.184 311 L HN 0.843 nan 8.230 nan 0.000 0.429 312 S N 1.996 117.708 115.700 0.020 0.000 2.907 312 S HA 0.113 4.583 4.470 -0.000 0.000 0.166 312 S C 1.706 176.316 174.600 0.016 0.000 0.956 312 S CA 0.303 58.517 58.200 0.023 0.000 1.531 312 S CB -0.318 62.897 63.200 0.025 0.000 0.573 312 S HN 0.840 nan 8.310 nan 0.000 0.488 313 G N 1.145 109.951 108.800 0.010 0.000 2.499 313 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.221 313 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.221 313 G C 0.934 175.837 174.900 0.005 0.000 1.109 313 G CA 1.096 46.195 45.100 -0.001 0.000 0.749 313 G HN 0.594 nan 8.290 nan 0.000 0.568 314 E N 0.653 120.862 120.200 0.016 0.000 2.265 314 E HA -0.045 4.304 4.350 -0.000 0.000 0.196 314 E C 2.480 179.097 176.600 0.028 0.000 0.996 314 E CA 1.332 57.748 56.400 0.028 0.000 0.832 314 E CB 0.012 29.730 29.700 0.030 0.000 0.756 314 E HN 0.601 nan 8.360 nan 0.000 0.491 315 S N -1.481 114.230 115.700 0.018 0.000 2.632 315 S HA 0.447 4.917 4.470 -0.000 0.000 0.237 315 S C 1.707 176.309 174.600 0.004 0.000 1.037 315 S CA -0.014 58.196 58.200 0.016 0.000 1.009 315 S CB 0.736 63.948 63.200 0.020 0.000 0.974 315 S HN 0.222 nan 8.310 nan 0.000 0.544 316 A N 3.143 125.961 122.820 -0.003 0.000 1.924 316 A HA 0.294 4.613 4.320 -0.000 0.000 0.211 316 A C 1.930 179.493 177.584 -0.035 0.000 1.198 316 A CA 1.032 53.059 52.037 -0.016 0.000 0.657 316 A CB -0.082 18.910 19.000 -0.014 0.000 0.852 316 A HN 0.638 nan 8.150 nan 0.000 0.454 317 K N -2.101 118.277 120.400 -0.035 0.000 2.590 317 K HA 0.241 4.560 4.320 -0.000 0.000 0.218 317 K C 0.930 177.506 176.600 -0.041 0.000 1.536 317 K CA 0.306 56.563 56.287 -0.050 0.000 1.013 317 K CB -0.293 32.166 32.500 -0.069 0.000 1.265 317 K HN 0.239 nan 8.250 nan 0.000 0.603 318 G N 1.308 110.096 108.800 -0.019 0.000 2.732 318 G HA2 0.234 4.194 3.960 -0.000 0.000 0.244 318 G HA3 0.234 4.194 3.960 -0.000 0.000 0.244 318 G C 0.695 175.575 174.900 -0.033 0.000 1.226 318 G CA 0.368 45.467 45.100 -0.002 0.000 0.860 318 G HN 0.337 nan 8.290 nan 0.000 0.583 319 K N -0.934 119.436 120.400 -0.051 0.000 2.404 319 K HA 0.270 4.590 4.320 -0.000 0.000 0.194 319 K C 0.361 176.707 176.600 -0.424 0.000 1.023 319 K CA 0.535 56.668 56.287 -0.257 0.000 1.094 319 K CB -0.072 32.211 32.500 -0.362 0.000 0.841 319 K HN 0.602 nan 8.250 nan 0.000 0.523 320 Y N -0.604 119.689 120.300 -0.011 0.000 2.624 320 Y HA 0.222 4.772 4.550 -0.000 0.000 0.302 320 Y C -2.155 173.742 175.900 -0.006 0.000 0.939 320 Y CA -2.076 56.019 58.100 -0.008 0.000 1.116 320 Y CB 1.681 40.137 38.460 -0.007 0.000 1.173 320 Y HN 0.077 nan 8.280 nan 0.000 0.631 321 P HA -0.120 nan 4.420 nan 0.000 0.218 321 P C 1.759 179.092 177.300 0.055 0.000 1.152 321 P CA 0.842 63.977 63.100 0.059 0.000 0.826 321 P CB 0.583 32.297 31.700 0.023 0.000 0.790 322 L N -0.214 121.043 121.223 0.056 0.000 2.217 322 L HA -0.072 4.267 4.340 -0.000 0.000 0.211 322 L C 1.977 178.878 176.870 0.051 0.000 1.107 322 L CA 1.842 56.710 54.840 0.047 0.000 0.783 322 L CB -1.144 40.940 42.059 0.041 0.000 0.919 322 L HN -0.132 nan 8.230 nan 0.000 0.442 323 E N -0.883 119.361 120.200 0.075 0.000 2.072 323 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 323 E C 2.279 178.896 176.600 0.030 0.000 0.982 323 E CA 1.150 57.581 56.400 0.051 0.000 0.803 323 E CB -0.292 29.440 29.700 0.053 0.000 0.755 323 E HN 0.527 nan 8.360 nan 0.000 0.453 324 A N 0.584 123.429 122.820 0.043 0.000 1.859 324 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 324 A C 2.470 180.067 177.584 0.021 0.000 1.198 324 A CA 1.958 54.011 52.037 0.028 0.000 0.629 324 A CB -1.076 17.946 19.000 0.036 0.000 0.830 324 A HN 0.158 nan 8.150 nan 0.000 0.446 325 V N 0.058 119.988 119.914 0.025 0.000 2.392 325 V HA -0.258 3.861 4.120 -0.000 0.000 0.249 325 V C 2.720 178.824 176.094 0.018 0.000 1.059 325 V CA 2.411 64.724 62.300 0.021 0.000 1.051 325 V CB -1.045 30.792 31.823 0.023 0.000 0.658 325 V HN 0.566 nan 8.190 nan 0.000 0.455 326 S N -0.089 115.622 115.700 0.018 0.000 2.357 326 S HA -0.089 4.381 4.470 -0.000 0.000 0.221 326 S C 1.921 176.525 174.600 0.008 0.000 1.031 326 S CA 1.432 59.640 58.200 0.014 0.000 0.982 326 S CB -0.357 62.851 63.200 0.014 0.000 0.853 326 S HN 0.482 nan 8.310 nan 0.000 0.458 327 I N 1.477 122.049 120.570 0.003 0.000 2.493 327 I HA 0.006 4.175 4.170 -0.000 0.000 0.254 327 I C 1.956 178.074 176.117 0.001 0.000 1.160 327 I CA 0.968 62.267 61.300 -0.003 0.000 1.445 327 I CB -0.403 37.590 38.000 -0.013 0.000 1.086 327 I HN 0.204 nan 8.210 nan 0.000 0.433 328 M N 0.497 120.100 119.600 0.005 0.000 2.254 328 M HA 0.101 4.581 4.480 -0.000 0.000 0.265 328 M C 2.058 178.364 176.300 0.009 0.000 1.066 328 M CA 1.884 57.188 55.300 0.007 0.000 1.123 328 M CB -0.673 31.932 32.600 0.009 0.000 1.388 328 M HN 0.220 nan 8.290 nan 0.000 0.425 329 A N -0.879 121.948 122.820 0.011 0.000 1.970 329 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 329 A C 2.241 179.832 177.584 0.012 0.000 1.170 329 A CA 1.882 53.927 52.037 0.013 0.000 0.645 329 A CB -1.400 17.609 19.000 0.015 0.000 0.816 329 A HN 0.655 nan 8.150 nan 0.000 0.447 330 T N -1.763 112.796 114.554 0.009 0.000 2.942 330 T HA 0.008 4.357 4.350 -0.000 0.000 0.265 330 T C 1.828 176.532 174.700 0.007 0.000 1.062 330 T CA 1.190 63.295 62.100 0.008 0.000 1.139 330 T CB -0.550 68.320 68.868 0.004 0.000 0.883 330 T HN 0.314 nan 8.240 nan 0.000 0.468 331 I N 1.030 121.604 120.570 0.006 0.000 2.208 331 I HA -0.183 3.986 4.170 -0.000 0.000 0.245 331 I C 2.928 179.051 176.117 0.011 0.000 1.097 331 I CA 1.022 62.325 61.300 0.005 0.000 1.363 331 I CB -0.656 37.346 38.000 0.002 0.000 1.051 331 I HN 0.390 nan 8.210 nan 0.000 0.413 332 C N 0.269 119.578 119.300 0.014 0.000 2.455 332 C HA -0.171 4.289 4.460 -0.000 0.000 0.281 332 C C 2.840 177.844 174.990 0.023 0.000 1.237 332 C CA 0.780 59.810 59.018 0.020 0.000 1.726 332 C CB -0.961 26.791 27.740 0.020 0.000 2.068 332 C HN 0.515 nan 8.230 nan 0.000 0.466 333 E N 1.118 121.330 120.200 0.021 0.000 2.068 333 E HA -0.299 4.051 4.350 -0.000 0.000 0.207 333 E C 2.222 178.835 176.600 0.022 0.000 1.032 333 E CA 2.022 58.436 56.400 0.022 0.000 0.839 333 E CB -0.478 29.234 29.700 0.019 0.000 0.758 333 E HN 0.474 nan 8.360 nan 0.000 0.457 334 R N -0.033 120.477 120.500 0.016 0.000 2.103 334 R HA -0.098 4.242 4.340 -0.000 0.000 0.242 334 R C 2.325 178.635 176.300 0.016 0.000 1.142 334 R CA 2.474 58.582 56.100 0.014 0.000 0.960 334 R CB -0.918 29.387 30.300 0.009 0.000 0.858 334 R HN 0.207 nan 8.270 nan 0.000 0.439 335 T N 0.473 115.038 114.554 0.018 0.000 2.851 335 T HA -0.012 4.338 4.350 -0.000 0.000 0.262 335 T C 1.086 175.805 174.700 0.031 0.000 1.043 335 T CA 1.134 63.246 62.100 0.020 0.000 1.140 335 T CB -0.280 68.600 68.868 0.019 0.000 0.872 335 T HN 0.242 nan 8.240 nan 0.000 0.446 336 D N 1.270 121.694 120.400 0.041 0.000 2.123 336 D HA -0.077 4.563 4.640 -0.000 0.000 0.196 336 D C 2.203 178.533 176.300 0.051 0.000 0.992 336 D CA 0.743 54.778 54.000 0.058 0.000 0.833 336 D CB -0.325 40.510 40.800 0.059 0.000 0.954 336 D HN 0.216 nan 8.370 nan 0.000 0.455 337 R N 0.498 121.020 120.500 0.038 0.000 2.153 337 R HA -0.167 4.173 4.340 -0.000 0.000 0.252 337 R C 1.443 177.760 176.300 0.029 0.000 1.158 337 R CA 1.484 57.603 56.100 0.032 0.000 0.975 337 R CB 0.012 30.326 30.300 0.024 0.000 0.871 337 R HN 0.242 nan 8.270 nan 0.000 0.450 338 V N -2.570 117.359 119.914 0.024 0.000 3.043 338 V HA 0.356 4.476 4.120 -0.000 0.000 0.357 338 V C 0.224 176.326 176.094 0.012 0.000 1.372 338 V CA -0.334 61.975 62.300 0.016 0.000 1.214 338 V CB 0.168 31.996 31.823 0.009 0.000 1.224 338 V HN 0.002 nan 8.190 nan 0.000 0.507 339 M N 1.955 121.570 119.600 0.025 0.000 2.423 339 M HA 0.569 5.049 4.480 -0.000 0.000 0.335 339 M C -0.537 175.780 176.300 0.028 0.000 1.177 339 M CA -0.239 55.071 55.300 0.016 0.000 1.038 339 M CB 1.765 34.393 32.600 0.047 0.000 1.641 339 M HN 0.272 nan 8.290 nan 0.000 0.455 340 N N 0.424 119.122 118.700 -0.002 0.000 2.432 340 N HA 0.433 5.173 4.740 -0.000 0.000 0.292 340 N C -0.940 174.598 175.510 0.046 0.000 1.193 340 N CA -0.497 52.564 53.050 0.020 0.000 0.878 340 N CB 1.576 40.061 38.487 -0.003 0.000 1.252 340 N HN 0.628 nan 8.380 nan 0.000 0.520 341 S N 0.219 115.975 115.700 0.093 0.000 2.585 341 S HA 0.400 4.870 4.470 -0.000 0.000 0.273 341 S C 0.032 174.701 174.600 0.116 0.000 1.339 341 S CA -0.618 57.677 58.200 0.159 0.000 1.028 341 S CB 0.732 64.025 63.200 0.156 0.000 0.906 341 S HN 0.405 nan 8.310 nan 0.000 0.528 342 R N 1.636 122.248 120.500 0.186 0.000 2.363 342 R HA 0.412 4.752 4.340 -0.000 0.000 0.297 342 R C -0.197 176.251 176.300 0.247 0.000 1.208 342 R CA -0.187 55.998 56.100 0.141 0.000 1.121 342 R CB 0.317 30.652 30.300 0.059 0.000 1.124 342 R HN 0.590 nan 8.270 nan 0.000 0.561 343 L N 0.650 121.967 121.223 0.157 0.000 2.349 343 L HA 0.189 4.529 4.340 -0.000 0.000 0.200 343 L C 1.637 178.561 176.870 0.090 0.000 1.064 343 L CA 0.593 55.502 54.840 0.115 0.000 0.821 343 L CB -0.282 41.789 42.059 0.020 0.000 1.027 343 L HN 0.606 nan 8.230 nan 0.000 0.476 352 L N 0.134 121.369 121.223 0.021 0.000 2.343 352 L HA 1.050 5.390 4.340 -0.000 0.000 0.275 352 L C 0.667 177.553 176.870 0.027 0.000 1.056 352 L CA -0.530 54.324 54.840 0.024 0.000 0.804 352 L CB 0.721 42.791 42.059 0.019 0.000 1.203 352 L HN 1.872 nan 8.230 nan 0.000 0.440 353 R N 2.146 122.667 120.500 0.034 0.000 2.514 353 R HA 0.665 5.005 4.340 -0.000 0.000 0.296 353 R C 0.570 176.892 176.300 0.038 0.000 1.012 353 R CA 0.079 56.200 56.100 0.036 0.000 0.897 353 R CB 0.201 30.528 30.300 0.045 0.000 1.184 353 R HN 0.893 nan 8.270 nan 0.000 0.440 354 I N 0.564 121.153 120.570 0.030 0.000 2.118 354 I HA -0.303 3.866 4.170 -0.000 0.000 0.241 354 I C 2.259 178.399 176.117 0.038 0.000 1.070 354 I CA 2.464 63.782 61.300 0.029 0.000 1.327 354 I CB -0.023 37.992 38.000 0.024 0.000 1.034 354 I HN 0.762 nan 8.210 nan 0.000 0.405 355 T N -0.194 114.386 114.554 0.044 0.000 2.746 355 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 355 T C 1.873 176.627 174.700 0.089 0.000 1.039 355 T CA 1.240 63.375 62.100 0.059 0.000 1.142 355 T CB -0.222 68.679 68.868 0.055 0.000 0.866 355 T HN 0.350 nan 8.240 nan 0.000 0.444 356 E N 0.843 121.104 120.200 0.101 0.000 2.077 356 E HA -0.127 4.222 4.350 -0.000 0.000 0.193 356 E C 2.506 179.158 176.600 0.087 0.000 0.989 356 E CA 1.145 57.642 56.400 0.162 0.000 0.800 356 E CB -0.206 29.584 29.700 0.151 0.000 0.746 356 E HN 0.458 nan 8.360 nan 0.000 0.452 357 A N 0.979 123.826 122.820 0.046 0.000 1.865 357 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 357 A C 2.480 180.056 177.584 -0.014 0.000 1.191 357 A CA 2.541 54.582 52.037 0.007 0.000 0.623 357 A CB -1.100 17.908 19.000 0.014 0.000 0.826 357 A HN 0.289 nan 8.150 nan 0.000 0.444 358 V N -2.505 117.417 119.914 0.013 0.000 2.453 358 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 358 V C 2.228 178.327 176.094 0.009 0.000 1.048 358 V CA 2.003 64.312 62.300 0.015 0.000 1.049 358 V CB -1.442 30.404 31.823 0.039 0.000 0.672 358 V HN 0.554 nan 8.190 nan 0.000 0.457 359 C N -0.022 119.300 119.300 0.037 0.000 2.448 359 C HA 0.087 4.547 4.460 -0.000 0.000 0.280 359 C C 2.843 177.776 174.990 -0.095 0.000 1.398 359 C CA 1.248 60.307 59.018 0.069 0.000 1.774 359 C CB -1.453 26.407 27.740 0.199 0.000 1.888 359 C HN 0.627 nan 8.230 nan 0.000 0.519 360 R N 1.044 121.353 120.500 -0.319 0.000 2.075 360 R HA -0.018 4.322 4.340 -0.000 0.000 0.226 360 R C 2.401 178.514 176.300 -0.313 0.000 1.114 360 R CA 1.500 57.193 56.100 -0.679 0.000 0.972 360 R CB -0.677 29.215 30.300 -0.680 0.000 0.869 360 R HN 0.534 nan 8.270 nan 0.000 0.437 361 G N 0.434 109.132 108.800 -0.169 0.000 2.491 361 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.218 361 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.218 361 G C 1.473 176.333 174.900 -0.066 0.000 1.180 361 G CA 1.036 46.080 45.100 -0.092 0.000 0.774 361 G HN 0.474 nan 8.290 nan 0.000 0.562 362 A N -0.368 122.426 122.820 -0.043 0.000 2.019 362 A HA 0.172 4.492 4.320 -0.000 0.000 0.219 362 A C 2.550 180.134 177.584 0.001 0.000 1.164 362 A CA 1.778 53.814 52.037 -0.003 0.000 0.644 362 A CB -0.299 18.722 19.000 0.035 0.000 0.805 362 A HN 0.291 nan 8.150 nan 0.000 0.449 363 V N -0.468 119.432 119.914 -0.022 0.000 2.446 363 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 363 V C 2.409 178.500 176.094 -0.006 0.000 1.039 363 V CA 1.817 64.121 62.300 0.007 0.000 1.045 363 V CB -0.588 31.259 31.823 0.040 0.000 0.681 363 V HN 0.728 nan 8.190 nan 0.000 0.459 364 E N 0.190 120.361 120.200 -0.047 0.000 2.118 364 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 364 E C 2.177 178.767 176.600 -0.016 0.000 0.992 364 E CA 1.943 58.324 56.400 -0.032 0.000 0.804 364 E CB -0.029 29.638 29.700 -0.056 0.000 0.741 364 E HN 0.610 nan 8.360 nan 0.000 0.458 365 T N 0.435 114.978 114.554 -0.019 0.000 2.732 365 T HA -0.079 4.271 4.350 -0.000 0.000 0.261 365 T C 1.872 176.571 174.700 -0.003 0.000 1.040 365 T CA 1.216 63.308 62.100 -0.013 0.000 1.145 365 T CB -0.358 68.500 68.868 -0.017 0.000 0.866 365 T HN 0.340 nan 8.240 nan 0.000 0.427 366 A N 2.113 124.937 122.820 0.006 0.000 1.903 366 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 366 A C 2.240 179.834 177.584 0.017 0.000 1.191 366 A CA 1.933 53.980 52.037 0.016 0.000 0.638 366 A CB -0.630 18.388 19.000 0.030 0.000 0.823 366 A HN 0.556 nan 8.150 nan 0.000 0.451 367 E N -0.290 119.922 120.200 0.020 0.000 2.031 367 E HA -0.215 4.134 4.350 -0.000 0.000 0.193 367 E C 2.108 178.717 176.600 0.014 0.000 0.994 367 E CA 1.531 57.944 56.400 0.022 0.000 0.800 367 E CB -0.307 29.409 29.700 0.027 0.000 0.752 367 E HN 0.659 nan 8.360 nan 0.000 0.447 368 K N 0.627 121.031 120.400 0.007 0.000 2.103 368 K HA -0.065 4.254 4.320 -0.000 0.000 0.207 368 K C 2.079 178.680 176.600 0.001 0.000 1.048 368 K CA 0.854 57.143 56.287 0.002 0.000 0.930 368 K CB -0.054 32.444 32.500 -0.003 0.000 0.716 368 K HN 0.089 nan 8.250 nan 0.000 0.444 369 L N 0.648 121.872 121.223 0.000 0.000 2.591 369 L HA -0.005 4.335 4.340 -0.000 0.000 0.228 369 L C -0.380 176.493 176.870 0.005 0.000 1.133 369 L CA 0.086 54.925 54.840 -0.001 0.000 0.880 369 L CB -0.214 41.840 42.059 -0.008 0.000 1.033 369 L HN 0.265 nan 8.230 nan 0.000 0.450 370 D N 0.254 120.661 120.400 0.011 0.000 2.837 370 D HA -0.161 4.479 4.640 -0.000 0.000 0.230 370 D C 0.580 176.892 176.300 0.020 0.000 1.152 370 D CA 0.955 54.965 54.000 0.017 0.000 0.736 370 D CB -0.833 39.977 40.800 0.015 0.000 1.084 370 D HN 0.371 nan 8.370 nan 0.000 0.429 371 A N 0.861 123.692 122.820 0.019 0.000 2.488 371 A HA 0.342 4.662 4.320 -0.000 0.000 0.249 371 A C -0.372 177.229 177.584 0.028 0.000 1.083 371 A CA -0.660 51.390 52.037 0.021 0.000 0.768 371 A CB 0.532 19.543 19.000 0.018 0.000 1.017 371 A HN -0.009 nan 8.150 nan 0.000 0.496 372 P HA -0.033 nan 4.420 nan 0.000 0.218 372 P C 0.144 177.459 177.300 0.026 0.000 1.149 372 P CA 1.112 64.231 63.100 0.032 0.000 0.817 372 P CB 0.237 31.959 31.700 0.035 0.000 0.785 373 L N -0.684 120.551 121.223 0.020 0.000 2.354 373 L HA 0.496 4.836 4.340 -0.000 0.000 0.264 373 L C -0.274 176.614 176.870 0.030 0.000 1.008 373 L CA -1.125 53.727 54.840 0.020 0.000 0.819 373 L CB 2.694 44.755 42.059 0.003 0.000 1.339 373 L HN -0.296 nan 8.230 nan 0.000 0.420 374 I N 2.620 123.215 120.570 0.042 0.000 2.382 374 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 374 I C -0.572 175.588 176.117 0.072 0.000 1.002 374 I CA -0.715 60.621 61.300 0.059 0.000 1.135 374 I CB 1.993 40.036 38.000 0.071 0.000 1.288 374 I HN 0.144 nan 8.210 nan 0.000 0.448 375 V N 7.550 127.512 119.914 0.080 0.000 2.432 375 V HA 0.388 4.508 4.120 -0.000 0.000 0.275 375 V C 0.124 176.378 176.094 0.266 0.000 1.043 375 V CA -0.433 61.941 62.300 0.123 0.000 0.925 375 V CB 1.765 33.606 31.823 0.030 0.000 0.985 375 V HN 0.398 nan 8.190 nan 0.000 0.466 376 V N 3.504 123.578 119.914 0.268 0.000 2.823 376 V HA 0.810 4.930 4.120 -0.000 0.000 0.312 376 V C 0.135 176.325 176.094 0.161 0.000 1.072 376 V CA -0.732 61.716 62.300 0.246 0.000 0.937 376 V CB 2.119 34.014 31.823 0.120 0.000 1.013 376 V HN 0.949 nan 8.190 nan 0.000 0.430 377 A N 2.535 125.279 122.820 -0.126 0.000 2.258 377 A HA 0.819 5.138 4.320 -0.000 0.000 0.316 377 A C 0.062 177.527 177.584 -0.200 0.000 1.279 377 A CA -0.404 51.433 52.037 -0.333 0.000 0.876 377 A CB 0.586 18.996 19.000 -0.984 0.000 1.170 377 A HN 0.889 nan 8.150 nan 0.000 0.520 378 T N 0.351 114.837 114.554 -0.113 0.000 2.908 378 T HA 0.485 4.835 4.350 -0.000 0.000 0.290 378 T C 0.480 175.133 174.700 -0.078 0.000 1.034 378 T CA -0.653 61.400 62.100 -0.079 0.000 1.010 378 T CB 2.044 70.889 68.868 -0.038 0.000 1.068 378 T HN 0.490 nan 8.240 nan 0.000 0.481 379 Q N 1.071 120.833 119.800 -0.064 0.000 2.389 379 Q HA 0.257 4.596 4.340 -0.000 0.000 0.201 379 Q C 1.893 177.867 176.000 -0.043 0.000 0.956 379 Q CA 1.309 57.079 55.803 -0.056 0.000 0.871 379 Q CB -0.335 28.371 28.738 -0.053 0.000 0.990 379 Q HN 0.942 nan 8.270 nan 0.000 0.554 380 G N -1.269 107.517 108.800 -0.023 0.000 3.393 380 G HA2 0.382 4.342 3.960 -0.000 0.000 0.255 380 G HA3 0.382 4.342 3.960 -0.000 0.000 0.255 380 G C 0.741 175.657 174.900 0.026 0.000 1.097 380 G CA 0.444 45.543 45.100 -0.002 0.000 0.780 380 G HN 0.545 nan 8.290 nan 0.000 0.540 381 G N 0.678 109.485 108.800 0.012 0.000 2.213 381 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.236 381 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.236 381 G C 1.316 176.239 174.900 0.039 0.000 0.991 381 G CA 0.703 45.822 45.100 0.031 0.000 0.629 381 G HN 0.519 nan 8.290 nan 0.000 0.517 382 K N 1.228 121.649 120.400 0.034 0.000 2.015 382 K HA -0.156 4.164 4.320 -0.000 0.000 0.216 382 K C 2.920 179.535 176.600 0.025 0.000 1.052 382 K CA 2.327 58.631 56.287 0.028 0.000 0.937 382 K CB -0.451 32.060 32.500 0.018 0.000 0.719 382 K HN 0.674 nan 8.250 nan 0.000 0.446 383 S N 1.121 116.833 115.700 0.019 0.000 2.383 383 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 383 S C 2.294 176.919 174.600 0.041 0.000 1.030 383 S CA 1.091 59.310 58.200 0.031 0.000 1.002 383 S CB -0.419 62.791 63.200 0.016 0.000 0.829 383 S HN 0.365 nan 8.310 nan 0.000 0.467 384 A N 2.002 124.841 122.820 0.032 0.000 2.014 384 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 384 A C 2.359 179.956 177.584 0.022 0.000 1.163 384 A CA 0.837 52.895 52.037 0.035 0.000 0.652 384 A CB -0.434 18.585 19.000 0.031 0.000 0.808 384 A HN 0.521 nan 8.150 nan 0.000 0.449 385 R N -0.717 119.795 120.500 0.019 0.000 2.153 385 R HA 0.060 4.399 4.340 -0.000 0.000 0.218 385 R C 2.234 178.518 176.300 -0.027 0.000 1.072 385 R CA 0.942 57.039 56.100 -0.004 0.000 0.990 385 R CB -0.231 30.079 30.300 0.017 0.000 0.889 385 R HN 0.492 nan 8.270 nan 0.000 0.452 386 A N 0.465 123.291 122.820 0.010 0.000 2.021 386 A HA -0.001 4.318 4.320 -0.000 0.000 0.216 386 A C 2.164 179.809 177.584 0.100 0.000 1.163 386 A CA 0.578 52.633 52.037 0.031 0.000 0.676 386 A CB 0.028 19.070 19.000 0.070 0.000 0.818 386 A HN 0.059 nan 8.150 nan 0.000 0.453 387 V N 0.398 120.377 119.914 0.108 0.000 2.488 387 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 387 V C 2.625 178.779 176.094 0.099 0.000 1.046 387 V CA 1.783 64.188 62.300 0.175 0.000 1.053 387 V CB -0.721 31.176 31.823 0.124 0.000 0.679 387 V HN 0.636 nan 8.190 nan 0.000 0.458 388 R N 1.380 121.863 120.500 -0.028 0.000 2.189 388 R HA -0.172 4.168 4.340 -0.000 0.000 0.223 388 R C 2.165 178.283 176.300 -0.303 0.000 1.092 388 R CA 1.659 57.676 56.100 -0.138 0.000 0.989 388 R CB -0.346 29.865 30.300 -0.148 0.000 0.876 388 R HN 0.568 nan 8.270 nan 0.000 0.457 389 K N -0.106 120.096 120.400 -0.331 0.000 2.280 389 K HA -0.159 4.161 4.320 -0.000 0.000 0.202 389 K C 0.363 176.647 176.600 -0.526 0.000 1.047 389 K CA 1.244 57.229 56.287 -0.504 0.000 0.942 389 K CB -0.046 32.087 32.500 -0.611 0.000 0.739 389 K HN 0.240 nan 8.250 nan 0.000 0.457 390 Y N -0.430 119.914 120.300 0.073 0.000 2.625 390 Y HA 0.237 4.787 4.550 -0.000 0.000 0.285 390 Y C -0.653 175.429 175.900 0.304 0.000 1.168 390 Y CA -0.756 57.467 58.100 0.204 0.000 1.250 390 Y CB -0.353 38.180 38.460 0.122 0.000 1.130 390 Y HN -0.090 nan 8.280 nan 0.000 0.526 391 F N -0.035 119.962 119.950 0.078 0.000 2.943 391 F HA -0.227 4.300 4.527 -0.000 0.000 0.258 391 F C -1.913 173.939 175.800 0.086 0.000 0.995 391 F CA -1.015 57.024 58.000 0.065 0.000 0.896 391 F CB -1.694 37.335 39.000 0.049 0.000 0.821 391 F HN 0.090 nan 8.300 nan 0.000 0.828 392 P HA -0.111 nan 4.420 nan 0.000 0.264 392 P C 0.754 178.128 177.300 0.123 0.000 1.173 392 P CA 0.426 63.612 63.100 0.143 0.000 0.761 392 P CB 0.814 32.577 31.700 0.105 0.000 0.794 393 D N 1.052 121.513 120.400 0.102 0.000 2.117 393 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 393 D C 1.070 177.409 176.300 0.065 0.000 0.982 393 D CA 1.118 55.166 54.000 0.080 0.000 0.828 393 D CB -0.353 40.485 40.800 0.064 0.000 0.967 393 D HN 0.476 nan 8.370 nan 0.000 0.464 394 A N 0.877 123.734 122.820 0.061 0.000 2.445 394 A HA 0.244 4.564 4.320 -0.000 0.000 0.242 394 A C 0.460 178.072 177.584 0.046 0.000 1.075 394 A CA -0.070 51.996 52.037 0.049 0.000 0.777 394 A CB 0.234 19.262 19.000 0.047 0.000 1.013 394 A HN -0.011 nan 8.150 nan 0.000 0.493 395 T N 2.237 116.814 114.554 0.038 0.000 2.888 395 T HA 0.273 4.623 4.350 -0.000 0.000 0.301 395 T C 0.244 174.965 174.700 0.035 0.000 1.001 395 T CA 0.679 62.799 62.100 0.033 0.000 1.147 395 T CB -0.248 68.635 68.868 0.026 0.000 0.931 395 T HN 0.362 nan 8.240 nan 0.000 0.541 396 I N 4.320 124.911 120.570 0.035 0.000 2.291 396 I HA 0.214 4.384 4.170 -0.000 0.000 0.292 396 I C -0.012 176.129 176.117 0.040 0.000 1.064 396 I CA -0.542 60.784 61.300 0.043 0.000 1.269 396 I CB 0.650 38.675 38.000 0.041 0.000 1.418 396 I HN 0.360 nan 8.210 nan 0.000 0.485 397 L N 7.980 129.230 121.223 0.045 0.000 2.261 397 L HA 0.635 4.974 4.340 -0.000 0.000 0.289 397 L C 0.128 177.038 176.870 0.066 0.000 1.059 397 L CA 0.078 54.944 54.840 0.044 0.000 0.816 397 L CB 0.605 42.683 42.059 0.031 0.000 1.191 397 L HN 0.641 nan 8.230 nan 0.000 0.431 398 A N 6.807 129.659 122.820 0.052 0.000 2.271 398 A HA 0.661 4.981 4.320 -0.000 0.000 0.317 398 A C -0.782 176.827 177.584 0.041 0.000 1.245 398 A CA -0.596 51.473 52.037 0.054 0.000 0.857 398 A CB 0.322 19.342 19.000 0.034 0.000 1.175 398 A HN 0.736 nan 8.150 nan 0.000 0.512 399 L N 3.101 124.362 121.223 0.062 0.000 2.264 399 L HA 0.526 4.866 4.340 -0.000 0.000 0.289 399 L C 0.042 176.907 176.870 -0.008 0.000 1.044 399 L CA -0.261 54.605 54.840 0.043 0.000 0.807 399 L CB 1.334 43.459 42.059 0.109 0.000 1.192 399 L HN 0.774 nan 8.230 nan 0.000 0.425 400 T N -2.143 112.395 114.554 -0.027 0.000 2.916 400 T HA 0.382 4.732 4.350 -0.000 0.000 0.292 400 T C 0.736 175.405 174.700 -0.051 0.000 1.055 400 T CA -0.456 61.613 62.100 -0.052 0.000 1.009 400 T CB 1.953 70.779 68.868 -0.070 0.000 1.118 400 T HN 0.658 nan 8.240 nan 0.000 0.497 401 T N -2.479 112.041 114.554 -0.056 0.000 3.001 401 T HA 0.166 4.516 4.350 -0.000 0.000 0.251 401 T C 0.596 175.259 174.700 -0.062 0.000 1.040 401 T CA -0.260 61.809 62.100 -0.052 0.000 0.985 401 T CB -0.101 68.740 68.868 -0.045 0.000 1.011 401 T HN 0.498 nan 8.240 nan 0.000 0.509 402 N N 2.098 120.755 118.700 -0.072 0.000 2.402 402 N HA 0.139 4.879 4.740 -0.000 0.000 0.252 402 N C 0.667 176.106 175.510 -0.118 0.000 1.118 402 N CA 0.091 53.091 53.050 -0.083 0.000 0.945 402 N CB 1.339 39.780 38.487 -0.078 0.000 1.147 402 N HN 0.358 nan 8.380 nan 0.000 0.495 403 E N 2.464 122.592 120.200 -0.120 0.000 2.160 403 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 403 E C 1.208 177.651 176.600 -0.262 0.000 0.991 403 E CA 1.366 57.654 56.400 -0.185 0.000 0.810 403 E CB 0.289 29.932 29.700 -0.095 0.000 0.742 403 E HN 0.486 nan 8.360 nan 0.000 0.466 404 K N -0.305 120.006 120.400 -0.149 0.000 2.044 404 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 404 K C 2.118 178.602 176.600 -0.193 0.000 1.049 404 K CA 1.763 57.975 56.287 -0.126 0.000 0.945 404 K CB -0.482 31.943 32.500 -0.125 0.000 0.724 404 K HN 0.161 nan 8.250 nan 0.000 0.440 405 T N -1.674 112.770 114.554 -0.183 0.000 3.051 405 T HA 0.062 4.411 4.350 -0.000 0.000 0.269 405 T C 1.742 176.357 174.700 -0.141 0.000 1.127 405 T CA 0.938 62.935 62.100 -0.172 0.000 1.107 405 T CB -0.249 68.550 68.868 -0.115 0.000 0.898 405 T HN 0.193 nan 8.240 nan 0.000 0.517 406 A N 0.901 123.603 122.820 -0.197 0.000 1.897 406 A HA 0.014 4.333 4.320 -0.000 0.000 0.215 406 A C 2.026 179.490 177.584 -0.200 0.000 1.181 406 A CA 1.533 53.441 52.037 -0.216 0.000 0.620 406 A CB -0.912 17.906 19.000 -0.302 0.000 0.821 406 A HN 0.775 nan 8.150 nan 0.000 0.443 407 H N -0.925 118.121 119.070 -0.040 0.000 2.333 407 H HA -0.054 4.502 4.556 -0.000 0.000 0.302 407 H C 2.370 177.714 175.328 0.027 0.000 1.075 407 H CA 1.361 57.403 56.048 -0.011 0.000 1.348 407 H CB -0.067 29.672 29.762 -0.039 0.000 1.393 407 H HN 0.535 nan 8.280 nan 0.000 0.509 408 Q N 0.600 120.404 119.800 0.006 0.000 2.096 408 Q HA -0.195 4.145 4.340 -0.000 0.000 0.208 408 Q C 2.226 178.386 176.000 0.267 0.000 0.993 408 Q CA 1.403 57.187 55.803 -0.032 0.000 0.862 408 Q CB -0.174 28.273 28.738 -0.486 0.000 0.915 408 Q HN 0.494 nan 8.270 nan 0.000 0.416 409 L N 0.209 121.498 121.223 0.111 0.000 2.353 409 L HA -0.159 4.180 4.340 -0.000 0.000 0.220 409 L C 2.122 179.059 176.870 0.110 0.000 1.133 409 L CA 0.372 55.275 54.840 0.106 0.000 0.798 409 L CB -0.270 41.813 42.059 0.041 0.000 0.922 409 L HN 0.136 nan 8.230 nan 0.000 0.445 410 V N -0.215 119.780 119.914 0.135 0.000 2.720 410 V HA -0.256 3.864 4.120 -0.000 0.000 0.256 410 V C 2.216 178.365 176.094 0.092 0.000 1.082 410 V CA 1.116 63.484 62.300 0.114 0.000 1.101 410 V CB -0.268 31.638 31.823 0.139 0.000 0.693 410 V HN 0.348 nan 8.190 nan 0.000 0.479 411 L N -0.287 121.005 121.223 0.115 0.000 2.313 411 L HA 0.122 4.461 4.340 -0.000 0.000 0.214 411 L C 1.369 178.234 176.870 -0.009 0.000 1.119 411 L CA 0.974 55.812 54.840 -0.003 0.000 0.809 411 L CB -0.339 41.606 42.059 -0.189 0.000 0.933 411 L HN 0.243 nan 8.230 nan 0.000 0.449 412 S N 0.292 116.011 115.700 0.031 0.000 2.565 412 S HA 0.135 4.605 4.470 -0.000 0.000 0.274 412 S C 0.046 174.634 174.600 -0.020 0.000 1.309 412 S CA -0.510 57.690 58.200 0.001 0.000 1.043 412 S CB 0.875 64.085 63.200 0.016 0.000 0.939 412 S HN 0.164 nan 8.310 nan 0.000 0.504 413 K N 1.473 121.838 120.400 -0.057 0.000 2.466 413 K HA 0.159 4.479 4.320 -0.000 0.000 0.278 413 K C 1.184 177.754 176.600 -0.049 0.000 1.048 413 K CA 0.889 57.138 56.287 -0.064 0.000 1.088 413 K CB -0.447 31.977 32.500 -0.127 0.000 0.884 413 K HN 0.932 nan 8.250 nan 0.000 0.478 414 G N 2.424 111.215 108.800 -0.014 0.000 2.203 414 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 414 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 414 G C -0.116 174.788 174.900 0.007 0.000 1.012 414 G CA 0.458 45.559 45.100 0.003 0.000 0.749 414 G HN 0.678 nan 8.290 nan 0.000 0.512 415 V N -1.186 118.732 119.914 0.007 0.000 2.532 415 V HA 0.824 4.944 4.120 -0.000 0.000 0.295 415 V C 0.052 176.161 176.094 0.025 0.000 1.041 415 V CA -0.779 61.532 62.300 0.018 0.000 0.926 415 V CB 2.192 34.026 31.823 0.018 0.000 0.992 415 V HN 0.544 nan 8.190 nan 0.000 0.457 416 V N 8.161 128.091 119.914 0.026 0.000 2.326 416 V HA 0.472 4.591 4.120 -0.000 0.000 0.281 416 V C -2.318 173.790 176.094 0.023 0.000 1.015 416 V CA -1.504 60.812 62.300 0.026 0.000 0.823 416 V CB 1.411 33.248 31.823 0.022 0.000 1.009 416 V HN 0.929 nan 8.190 nan 0.000 0.436 417 P HA 0.400 nan 4.420 nan 0.000 0.277 417 P C -0.990 176.309 177.300 -0.002 0.000 1.240 417 P CA -0.532 62.571 63.100 0.004 0.000 0.798 417 P CB 0.867 32.562 31.700 -0.008 0.000 0.979 418 Q N 1.268 121.062 119.800 -0.009 0.000 2.263 418 Q HA 0.443 4.783 4.340 -0.000 0.000 0.262 418 Q C -1.725 174.262 176.000 -0.023 0.000 0.984 418 Q CA -0.850 54.947 55.803 -0.010 0.000 0.813 418 Q CB 1.431 30.173 28.738 0.006 0.000 1.299 418 Q HN 0.256 nan 8.270 nan 0.000 0.428 419 L N 4.985 126.186 121.223 -0.037 0.000 2.319 419 L HA 0.464 4.804 4.340 -0.000 0.000 0.280 419 L C -0.687 176.169 176.870 -0.024 0.000 1.099 419 L CA 0.004 54.817 54.840 -0.045 0.000 0.828 419 L CB 1.214 43.235 42.059 -0.064 0.000 1.150 419 L HN 0.504 nan 8.230 nan 0.000 0.442 420 V N 2.126 122.028 119.914 -0.020 0.000 2.919 420 V HA 0.548 4.668 4.120 -0.000 0.000 0.316 420 V C 0.967 177.052 176.094 -0.015 0.000 1.077 420 V CA -0.757 61.538 62.300 -0.008 0.000 0.977 420 V CB 1.718 33.546 31.823 0.008 0.000 1.039 420 V HN 0.769 nan 8.190 nan 0.000 0.441 421 K N 0.637 121.031 120.400 -0.010 0.000 2.001 421 K HA 0.065 4.385 4.320 -0.000 0.000 0.208 421 K C 0.660 177.250 176.600 -0.016 0.000 1.048 421 K CA 1.936 58.215 56.287 -0.013 0.000 0.932 421 K CB 0.139 32.634 32.500 -0.009 0.000 0.715 421 K HN 0.962 nan 8.250 nan 0.000 0.437 422 E N -0.272 119.920 120.200 -0.013 0.000 2.416 422 E HA 0.208 4.557 4.350 -0.000 0.000 0.280 422 E C -1.573 175.019 176.600 -0.013 0.000 1.055 422 E CA -0.573 55.816 56.400 -0.018 0.000 0.825 422 E CB 1.105 30.794 29.700 -0.018 0.000 1.312 422 E HN -0.000 nan 8.360 nan 0.000 0.452 423 I N 1.924 122.479 120.570 -0.024 0.000 2.466 423 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 423 I C 0.930 177.027 176.117 -0.033 0.000 1.026 423 I CA -0.592 60.698 61.300 -0.017 0.000 1.078 423 I CB 2.209 40.196 38.000 -0.023 0.000 1.249 423 I HN 0.786 nan 8.210 nan 0.000 0.429 424 T N -0.128 114.413 114.554 -0.023 0.000 3.037 424 T HA 0.216 4.566 4.350 -0.000 0.000 0.252 424 T C 0.570 175.249 174.700 -0.035 0.000 1.073 424 T CA 0.372 62.456 62.100 -0.027 0.000 1.091 424 T CB 0.148 69.006 68.868 -0.017 0.000 0.935 424 T HN 0.680 nan 8.240 nan 0.000 0.488 425 S N -1.018 114.657 115.700 -0.041 0.000 2.643 425 S HA 0.334 4.804 4.470 -0.000 0.000 0.266 425 S C 0.506 175.051 174.600 -0.091 0.000 1.130 425 S CA -0.146 58.020 58.200 -0.057 0.000 0.817 425 S CB 0.818 63.995 63.200 -0.039 0.000 1.107 425 S HN -0.079 nan 8.310 nan 0.000 0.471 426 T N 1.358 115.833 114.554 -0.131 0.000 2.788 426 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 426 T C 0.979 175.364 174.700 -0.525 0.000 1.044 426 T CA 1.888 63.817 62.100 -0.286 0.000 1.139 426 T CB -0.667 68.086 68.868 -0.192 0.000 0.867 426 T HN 0.644 nan 8.240 nan 0.000 0.454 427 D N 0.700 120.971 120.400 -0.216 0.000 2.183 427 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 427 D C 1.913 178.173 176.300 -0.067 0.000 0.969 427 D CA 0.953 54.907 54.000 -0.077 0.000 0.842 427 D CB -0.228 40.594 40.800 0.038 0.000 0.957 427 D HN 0.414 nan 8.370 nan 0.000 0.484 428 D N 0.185 120.547 120.400 -0.062 0.000 2.097 428 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 428 D C 1.929 178.227 176.300 -0.003 0.000 0.984 428 D CA 0.521 54.509 54.000 -0.021 0.000 0.826 428 D CB -0.213 40.582 40.800 -0.008 0.000 0.973 428 D HN -0.012 nan 8.370 nan 0.000 0.460 429 F N 0.533 120.359 119.950 -0.206 0.000 2.063 429 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 429 F C 1.703 177.447 175.800 -0.092 0.000 1.109 429 F CA 1.522 59.410 58.000 -0.188 0.000 1.212 429 F CB -1.013 37.806 39.000 -0.301 0.000 0.973 429 F HN 0.053 nan 8.300 nan 0.000 0.480 430 Y N 0.798 120.876 120.300 -0.369 0.000 2.224 430 Y HA -0.164 4.386 4.550 -0.000 0.000 0.289 430 Y C 2.659 178.292 175.900 -0.445 0.000 1.146 430 Y CA 1.581 59.316 58.100 -0.608 0.000 1.182 430 Y CB -1.418 36.794 38.460 -0.413 0.000 0.983 430 Y HN 0.214 nan 8.280 nan 0.000 0.524 431 R N 1.017 121.467 120.500 -0.083 0.000 2.057 431 R HA -0.113 4.227 4.340 -0.000 0.000 0.229 431 R C 2.006 178.257 176.300 -0.081 0.000 1.136 431 R CA 1.710 57.772 56.100 -0.063 0.000 0.952 431 R CB -1.329 28.961 30.300 -0.016 0.000 0.848 431 R HN 0.311 nan 8.270 nan 0.000 0.430 432 L N 0.413 121.596 121.223 -0.067 0.000 2.093 432 L HA 0.242 4.582 4.340 -0.000 0.000 0.208 432 L C 2.150 178.979 176.870 -0.068 0.000 1.085 432 L CA 2.312 57.128 54.840 -0.041 0.000 0.755 432 L CB -0.958 41.108 42.059 0.011 0.000 0.904 432 L HN 0.350 nan 8.230 nan 0.000 0.435 433 G N -0.734 107.974 108.800 -0.153 0.000 2.448 433 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 433 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 433 G C 1.598 176.399 174.900 -0.165 0.000 1.135 433 G CA 0.601 45.592 45.100 -0.180 0.000 0.784 433 G HN 0.430 nan 8.290 nan 0.000 0.543 434 K N 0.519 120.810 120.400 -0.182 0.000 2.062 434 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 434 K C 2.419 178.971 176.600 -0.080 0.000 1.051 434 K CA 1.097 57.305 56.287 -0.132 0.000 0.941 434 K CB -0.040 32.379 32.500 -0.134 0.000 0.719 434 K HN 0.328 nan 8.250 nan 0.000 0.440 435 E N 1.118 121.278 120.200 -0.066 0.000 2.085 435 E HA -0.197 4.152 4.350 -0.000 0.000 0.194 435 E C 2.069 178.645 176.600 -0.039 0.000 0.994 435 E CA 1.085 57.460 56.400 -0.042 0.000 0.801 435 E CB -0.239 29.443 29.700 -0.030 0.000 0.743 435 E HN 0.314 nan 8.360 nan 0.000 0.453 436 L N 0.609 121.808 121.223 -0.040 0.000 2.240 436 L HA -0.015 4.324 4.340 -0.000 0.000 0.211 436 L C 2.633 179.478 176.870 -0.041 0.000 1.106 436 L CA 0.617 55.439 54.840 -0.031 0.000 0.793 436 L CB -0.472 41.578 42.059 -0.016 0.000 0.927 436 L HN 0.080 nan 8.230 nan 0.000 0.446 437 A N 0.453 123.239 122.820 -0.056 0.000 1.902 437 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 437 A C 2.275 179.807 177.584 -0.087 0.000 1.181 437 A CA 1.349 53.347 52.037 -0.065 0.000 0.623 437 A CB -0.596 18.362 19.000 -0.070 0.000 0.818 437 A HN 0.321 nan 8.150 nan 0.000 0.443 438 L N -0.982 120.194 121.223 -0.079 0.000 2.027 438 L HA -0.244 4.096 4.340 -0.000 0.000 0.206 438 L C 2.930 179.751 176.870 -0.081 0.000 1.074 438 L CA 1.600 56.387 54.840 -0.088 0.000 0.745 438 L CB -0.520 41.509 42.059 -0.051 0.000 0.898 438 L HN 0.479 nan 8.230 nan 0.000 0.433 439 Q N -0.585 119.184 119.800 -0.052 0.000 2.135 439 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 439 Q C 2.340 178.315 176.000 -0.041 0.000 0.981 439 Q CA 1.927 57.708 55.803 -0.036 0.000 0.856 439 Q CB -0.166 28.558 28.738 -0.024 0.000 0.902 439 Q HN 0.586 nan 8.270 nan 0.000 0.425 440 S N -0.967 114.702 115.700 -0.051 0.000 2.474 440 S HA -0.042 4.428 4.470 -0.000 0.000 0.235 440 S C 1.671 176.235 174.600 -0.060 0.000 0.997 440 S CA 0.865 59.039 58.200 -0.044 0.000 0.949 440 S CB -0.244 62.932 63.200 -0.040 0.000 0.766 440 S HN 0.581 nan 8.310 nan 0.000 0.517 441 G N 1.154 109.887 108.800 -0.110 0.000 2.196 441 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.268 441 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.268 441 G C 0.662 175.461 174.900 -0.167 0.000 0.975 441 G CA 0.684 45.696 45.100 -0.147 0.000 0.648 441 G HN 0.586 nan 8.290 nan 0.000 0.538 442 L N -0.227 120.922 121.223 -0.123 0.000 2.376 442 L HA 0.437 4.777 4.340 -0.000 0.000 0.219 442 L C 1.622 178.421 176.870 -0.117 0.000 1.133 442 L CA 1.141 55.934 54.840 -0.079 0.000 0.816 442 L CB -0.369 41.666 42.059 -0.039 0.000 0.933 442 L HN 0.697 nan 8.230 nan 0.000 0.449 443 A N -2.142 120.518 122.820 -0.266 0.000 2.568 443 A HA 0.736 5.056 4.320 -0.000 0.000 0.291 443 A C -1.188 176.033 177.584 -0.606 0.000 1.159 443 A CA -0.614 51.260 52.037 -0.271 0.000 0.679 443 A CB 1.305 20.249 19.000 -0.095 0.000 1.285 443 A HN 0.084 nan 8.150 nan 0.000 0.428 444 H N -0.059 119.013 119.070 0.003 0.000 2.985 444 H HA 0.322 4.878 4.556 -0.000 0.000 0.360 444 H C -0.935 174.394 175.328 0.001 0.000 1.221 444 H CA -0.799 55.251 56.048 0.002 0.000 1.121 444 H CB 1.159 30.923 29.762 0.003 0.000 1.854 444 H HN 0.665 nan 8.280 nan 0.000 0.551 445 K N 0.298 120.774 120.400 0.127 0.000 2.530 445 K HA 0.073 4.392 4.320 -0.000 0.000 0.280 445 K C 0.982 177.619 176.600 0.061 0.000 1.004 445 K CA 1.379 57.707 56.287 0.068 0.000 1.071 445 K CB 0.021 32.554 32.500 0.055 0.000 0.876 445 K HN 0.954 nan 8.250 nan 0.000 0.487 446 G N 2.241 111.064 108.800 0.038 0.000 2.162 446 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 446 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 446 G C -0.402 174.517 174.900 0.032 0.000 0.976 446 G CA 0.058 45.175 45.100 0.029 0.000 0.655 446 G HN 0.658 nan 8.290 nan 0.000 0.533 447 D N 0.241 120.667 120.400 0.043 0.000 2.304 447 D HA 0.473 5.113 4.640 -0.000 0.000 0.250 447 D C 0.896 177.209 176.300 0.021 0.000 1.107 447 D CA -0.159 53.863 54.000 0.037 0.000 0.885 447 D CB 1.729 42.557 40.800 0.046 0.000 1.192 447 D HN 0.133 nan 8.370 nan 0.000 0.436 448 V N 2.217 122.141 119.914 0.016 0.000 2.732 448 V HA 0.346 4.466 4.120 -0.000 0.000 0.297 448 V C 0.437 176.538 176.094 0.012 0.000 1.060 448 V CA -0.409 61.896 62.300 0.009 0.000 1.038 448 V CB 1.687 33.509 31.823 -0.000 0.000 1.003 448 V HN 0.237 nan 8.190 nan 0.000 0.481 449 V N 4.336 124.259 119.914 0.015 0.000 2.612 449 V HA 0.316 4.436 4.120 -0.000 0.000 0.301 449 V C -0.386 175.721 176.094 0.022 0.000 1.059 449 V CA -0.503 61.804 62.300 0.012 0.000 0.886 449 V CB 2.225 34.043 31.823 -0.008 0.000 1.007 449 V HN 0.622 nan 8.190 nan 0.000 0.426 450 V N 6.387 126.316 119.914 0.024 0.000 2.546 450 V HA 0.485 4.605 4.120 -0.000 0.000 0.284 450 V C 0.163 176.291 176.094 0.057 0.000 1.050 450 V CA -0.184 62.136 62.300 0.034 0.000 0.981 450 V CB 1.539 33.383 31.823 0.034 0.000 0.990 450 V HN 0.792 nan 8.190 nan 0.000 0.474 451 M N 5.096 124.742 119.600 0.077 0.000 2.243 451 M HA 0.574 5.054 4.480 -0.000 0.000 0.324 451 M C -1.222 175.290 176.300 0.353 0.000 1.031 451 M CA -0.616 54.785 55.300 0.168 0.000 0.949 451 M CB 1.967 34.562 32.600 -0.010 0.000 1.615 451 M HN 0.340 nan 8.290 nan 0.000 0.430 452 V N 2.121 122.283 119.914 0.414 0.000 2.555 452 V HA 0.864 4.984 4.120 -0.000 0.000 0.302 452 V C -0.161 176.070 176.094 0.229 0.000 1.038 452 V CA -0.433 62.046 62.300 0.298 0.000 0.887 452 V CB 1.817 33.745 31.823 0.175 0.000 0.991 452 V HN 1.072 nan 8.190 nan 0.000 0.434 453 S N 2.322 118.093 115.700 0.118 0.000 2.643 453 S HA 0.767 5.237 4.470 -0.000 0.000 0.266 453 S C -0.444 174.133 174.600 -0.039 0.000 1.130 453 S CA -0.263 57.886 58.200 -0.083 0.000 0.817 453 S CB 1.277 64.279 63.200 -0.331 0.000 1.107 453 S HN 1.269 nan 8.310 nan 0.000 0.471 454 G N -0.439 108.304 108.800 -0.095 0.000 2.434 454 G HA2 0.826 4.786 3.960 -0.000 0.000 0.330 454 G HA3 0.826 4.786 3.960 -0.000 0.000 0.330 454 G C -0.566 174.300 174.900 -0.057 0.000 1.155 454 G CA -0.578 44.491 45.100 -0.052 0.000 0.917 454 G HN 1.602 nan 8.290 nan 0.000 0.493 455 A N 1.158 123.963 122.820 -0.025 0.000 2.456 455 A HA 0.571 4.891 4.320 -0.000 0.000 0.288 455 A C 0.341 177.918 177.584 -0.011 0.000 1.042 455 A CA -0.587 51.438 52.037 -0.021 0.000 0.738 455 A CB 0.549 19.555 19.000 0.008 0.000 1.266 455 A HN 1.441 nan 8.150 nan 0.000 0.407 456 L N 0.725 121.938 121.223 -0.018 0.000 3.839 456 L HA -0.238 4.102 4.340 -0.000 0.000 0.416 456 L C 0.228 177.091 176.870 -0.012 0.000 1.195 456 L CA 0.976 55.809 54.840 -0.012 0.000 0.946 456 L CB -2.578 39.479 42.059 -0.003 0.000 1.891 456 L HN 0.970 nan 8.230 nan 0.000 0.963 457 V N -3.819 116.085 119.914 -0.018 0.000 2.962 457 V HA 0.836 4.956 4.120 -0.000 0.000 0.313 457 V C -2.012 174.069 176.094 -0.022 0.000 1.099 457 V CA -1.863 60.427 62.300 -0.016 0.000 0.971 457 V CB 1.455 33.272 31.823 -0.011 0.000 1.028 457 V HN 0.014 nan 8.190 nan 0.000 0.430 458 P HA 0.353 nan 4.420 nan 0.000 0.272 458 P C 1.013 178.299 177.300 -0.023 0.000 1.223 458 P CA -0.156 62.932 63.100 -0.021 0.000 0.784 458 P CB 0.841 32.531 31.700 -0.016 0.000 0.923 459 S N 0.927 116.611 115.700 -0.027 0.000 2.461 459 S HA -0.152 4.317 4.470 -0.000 0.000 0.246 459 S C 2.041 176.628 174.600 -0.021 0.000 1.007 459 S CA 1.675 59.857 58.200 -0.029 0.000 0.976 459 S CB -0.955 62.228 63.200 -0.029 0.000 0.763 459 S HN 0.794 nan 8.310 nan 0.000 0.508 460 G N 0.585 109.376 108.800 -0.015 0.000 2.442 460 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.219 460 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.219 460 G C 0.504 175.401 174.900 -0.005 0.000 1.141 460 G CA 1.039 46.134 45.100 -0.008 0.000 0.763 460 G HN 0.529 nan 8.290 nan 0.000 0.554 461 T N 0.537 115.086 114.554 -0.008 0.000 2.829 461 T HA 0.532 4.882 4.350 -0.000 0.000 0.282 461 T C -0.573 174.125 174.700 -0.003 0.000 0.990 461 T CA -0.406 61.694 62.100 -0.001 0.000 1.028 461 T CB 1.973 70.842 68.868 0.001 0.000 0.951 461 T HN -0.075 nan 8.240 nan 0.000 0.460 462 T N 2.719 117.279 114.554 0.011 0.000 2.758 462 T HA 0.382 4.732 4.350 -0.000 0.000 0.285 462 T C 1.041 175.760 174.700 0.031 0.000 0.981 462 T CA -0.832 61.279 62.100 0.018 0.000 0.965 462 T CB 0.363 69.250 68.868 0.032 0.000 0.927 462 T HN 0.871 nan 8.240 nan 0.000 0.448 463 N N 0.766 119.486 118.700 0.034 0.000 2.075 463 N HA 0.065 4.805 4.740 -0.000 0.000 0.226 463 N C 0.207 175.751 175.510 0.057 0.000 1.343 463 N CA -0.523 52.551 53.050 0.039 0.000 0.881 463 N CB 1.005 39.509 38.487 0.027 0.000 1.100 463 N HN 0.539 nan 8.380 nan 0.000 0.495 464 T N -1.295 113.309 114.554 0.082 0.000 2.893 464 T HA 0.828 5.178 4.350 -0.000 0.000 0.293 464 T C -1.072 173.724 174.700 0.160 0.000 1.027 464 T CA -0.612 61.560 62.100 0.121 0.000 0.988 464 T CB 2.185 71.148 68.868 0.158 0.000 1.043 464 T HN 0.264 nan 8.240 nan 0.000 0.461 465 A N 1.654 124.558 122.820 0.139 0.000 2.454 465 A HA 0.901 5.221 4.320 -0.000 0.000 0.302 465 A C -0.390 177.237 177.584 0.071 0.000 1.079 465 A CA -0.892 51.224 52.037 0.133 0.000 0.731 465 A CB 1.965 21.011 19.000 0.077 0.000 1.299 465 A HN 1.181 nan 8.150 nan 0.000 0.413 466 S N 0.316 116.022 115.700 0.011 0.000 2.614 466 S HA 0.538 5.008 4.470 -0.000 0.000 0.275 466 S C -1.394 173.122 174.600 -0.141 0.000 1.161 466 S CA -0.352 57.744 58.200 -0.173 0.000 0.969 466 S CB 1.212 64.086 63.200 -0.544 0.000 1.059 466 S HN 0.969 nan 8.310 nan 0.000 0.482 467 V N 5.771 125.546 119.914 -0.231 0.000 2.406 467 V HA 0.474 4.594 4.120 -0.000 0.000 0.272 467 V C -0.647 175.226 176.094 -0.369 0.000 1.043 467 V CA -0.297 61.895 62.300 -0.181 0.000 0.915 467 V CB 0.734 32.477 31.823 -0.133 0.000 0.988 467 V HN 0.910 nan 8.190 nan 0.000 0.466 468 H N 2.046 121.028 119.070 -0.146 0.000 2.538 468 H HA 0.601 5.157 4.556 -0.000 0.000 0.353 468 H C -0.606 174.674 175.328 -0.080 0.000 1.109 468 H CA -0.574 55.397 56.048 -0.129 0.000 1.192 468 H CB 2.049 31.713 29.762 -0.163 0.000 1.555 468 H HN 0.420 nan 8.280 nan 0.000 0.518 469 V N 4.908 124.842 119.914 0.033 0.000 2.383 469 V HA 0.156 4.276 4.120 -0.000 0.000 0.275 469 V C 0.440 176.553 176.094 0.033 0.000 1.036 469 V CA -0.498 61.815 62.300 0.021 0.000 0.889 469 V CB 0.645 32.468 31.823 -0.000 0.000 0.985 469 V HN 0.566 nan 8.190 nan 0.000 0.459 470 L N 0.000 121.237 121.223 0.023 0.000 2.949 470 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 470 L CA 0.000 54.847 54.840 0.012 0.000 0.813 470 L CB 0.000 42.060 42.059 0.001 0.000 0.961 470 L HN 0.000 nan 8.230 nan 0.000 0.502