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 3czo_1_D DATA FIRST_RESID 25 DATA SEQUENCE NVIIGNQKLT INDVARVARN GTLVSLTNNT DILQGIQASC DYINNAVESG DATA SEQUENCE EPIYGVTSGF GGXANVAISR EQASELQTNL VWFLKTGAGN KLPLADVRAA DATA SEQUENCE XLLRANSHXR GASGIRLELI KRXEIFLNAG VTPYVYEFGS IGXXXDLVPL DATA SEQUENCE SYITGSLIGL DPSFKVDFNG KEXDAPTALR QLNLSPLTLL PKEGLAXXNG DATA SEQUENCE TSVXTGIAAN CVYDTQILTA IAXGVHALDI QALNGTNQSF HPFIHNSKPH DATA SEQUENCE PGQLWAADQX ISLLANSQLV RDELDGKHDY RXHELIQDRY SLRCLPQYLG DATA SEQUENCE PIVDGISQIA KQIEIEINSV TDNPLIDVDN QASYHGGNFL GQYVGXGXDH DATA SEQUENCE LRYYIGLLAK HLDVQIALLA SPEFSNGLPP SLLGNRERKV NXGLKGLQIC DATA SEQUENCE GNSIXPLLTF YGNSIADRFP THAEQFNQNI NSQGYTSATL ARRSVDIFQN DATA SEQUENCE YVAIALXFGV QAVDLRTYKK TGHYDARASL SPATERLYSA VRHVVGQKPT DATA SEQUENCE SDRPYIWNDN EQGLDEHIAR ISADIAAGGV IVQAVQDILP 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 25 N HA 0.000 nan 4.740 nan 0.000 0.220 25 N C 0.000 175.507 175.510 -0.004 0.000 1.280 25 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 25 N CB 0.000 38.487 38.487 -0.000 0.000 1.341 26 V N 1.577 121.487 119.914 -0.006 0.000 2.357 26 V HA 0.445 4.565 4.120 0.000 0.000 0.281 26 V C -0.189 175.901 176.094 -0.006 0.000 1.015 26 V CA -0.483 61.812 62.300 -0.008 0.000 0.827 26 V CB 1.027 32.842 31.823 -0.015 0.000 1.018 26 V HN 0.282 nan 8.190 nan 0.000 0.432 27 I N 5.662 126.229 120.570 -0.005 0.000 2.325 27 I HA 0.393 4.563 4.170 0.000 0.000 0.291 27 I C -0.087 176.027 176.117 -0.004 0.000 1.019 27 I CA -0.118 61.180 61.300 -0.003 0.000 1.302 27 I CB 1.166 39.166 38.000 -0.001 0.000 1.401 27 I HN 0.416 nan 8.210 nan 0.000 0.485 28 I N 6.252 126.820 120.570 -0.003 0.000 2.325 28 I HA 0.443 4.613 4.170 0.000 0.000 0.291 28 I C 1.078 177.195 176.117 -0.000 0.000 1.019 28 I CA 0.355 61.652 61.300 -0.004 0.000 1.302 28 I CB 1.037 39.035 38.000 -0.003 0.000 1.401 28 I HN 0.950 nan 8.210 nan 0.000 0.485 29 G N 5.073 113.873 108.800 -0.001 0.000 2.909 29 G HA2 -0.252 3.708 3.960 0.000 0.000 0.198 29 G HA3 -0.252 3.708 3.960 0.000 0.000 0.198 29 G C 0.737 175.637 174.900 0.001 0.000 1.124 29 G CA 0.208 45.309 45.100 0.002 0.000 0.796 29 G HN 0.559 nan 8.290 nan 0.000 0.489 30 N N 1.301 120.000 118.700 -0.000 0.000 2.093 30 N HA -0.009 4.731 4.740 0.000 0.000 0.191 30 N C 1.239 176.748 175.510 -0.003 0.000 1.062 30 N CA 1.302 54.351 53.050 -0.001 0.000 0.854 30 N CB -0.493 37.994 38.487 -0.000 0.000 1.043 30 N HN 0.736 nan 8.380 nan 0.000 0.438 31 Q N 1.082 120.880 119.800 -0.004 0.000 2.212 31 Q HA 0.365 4.705 4.340 0.000 0.000 0.238 31 Q C -0.885 175.111 176.000 -0.008 0.000 0.955 31 Q CA -0.836 54.964 55.803 -0.005 0.000 0.906 31 Q CB 1.406 30.142 28.738 -0.004 0.000 1.215 31 Q HN 0.026 nan 8.270 nan 0.000 0.478 32 K N 1.086 121.480 120.400 -0.010 0.000 2.355 32 K HA 0.200 4.521 4.320 0.000 0.000 0.270 32 K C -0.338 176.255 176.600 -0.012 0.000 1.003 32 K CA -0.164 56.115 56.287 -0.013 0.000 0.957 32 K CB 0.455 32.945 32.500 -0.016 0.000 0.939 32 K HN 0.438 nan 8.250 nan 0.000 0.482 33 L N 2.481 123.695 121.223 -0.015 0.000 2.371 33 L HA 0.166 4.506 4.340 0.000 0.000 0.272 33 L C 0.921 177.785 176.870 -0.010 0.000 1.124 33 L CA -0.451 54.381 54.840 -0.014 0.000 0.816 33 L CB 0.972 43.020 42.059 -0.019 0.000 1.129 33 L HN 0.803 nan 8.230 nan 0.000 0.448 34 T N -1.372 113.180 114.554 -0.004 0.000 2.912 34 T HA 0.390 4.740 4.350 0.000 0.000 0.280 34 T C 1.252 175.957 174.700 0.009 0.000 0.989 34 T CA -0.755 61.348 62.100 0.006 0.000 0.995 34 T CB 1.486 70.364 68.868 0.016 0.000 1.077 34 T HN 0.406 nan 8.240 nan 0.000 0.531 35 I N 1.016 121.604 120.570 0.030 0.000 2.286 35 I HA -0.138 4.032 4.170 0.000 0.000 0.248 35 I C 2.694 178.834 176.117 0.037 0.000 1.115 35 I CA 1.453 62.781 61.300 0.047 0.000 1.392 35 I CB -0.476 37.581 38.000 0.095 0.000 1.065 35 I HN 0.782 nan 8.210 nan 0.000 0.418 36 N N 0.792 119.538 118.700 0.076 0.000 2.120 36 N HA -0.224 4.516 4.740 0.000 0.000 0.188 36 N C 1.483 176.971 175.510 -0.037 0.000 1.024 36 N CA 1.712 54.800 53.050 0.064 0.000 0.852 36 N CB 0.013 38.572 38.487 0.120 0.000 1.003 36 N HN 0.186 nan 8.380 nan 0.000 0.424 37 D N -0.211 120.176 120.400 -0.022 0.000 2.084 37 D HA -0.123 4.517 4.640 0.000 0.000 0.194 37 D C 2.107 178.366 176.300 -0.068 0.000 0.990 37 D CA 1.105 55.082 54.000 -0.037 0.000 0.826 37 D CB -0.663 40.124 40.800 -0.022 0.000 0.971 37 D HN 0.126 nan 8.370 nan 0.000 0.453 38 V N 1.674 121.547 119.914 -0.068 0.000 2.324 38 V HA -0.283 3.837 4.120 0.000 0.000 0.250 38 V C 2.564 178.571 176.094 -0.144 0.000 1.060 38 V CA 1.946 64.196 62.300 -0.084 0.000 1.042 38 V CB -0.957 30.831 31.823 -0.059 0.000 0.650 38 V HN 0.200 nan 8.190 nan 0.000 0.450 39 A N 0.031 122.701 122.820 -0.250 0.000 1.883 39 A HA -0.258 4.062 4.320 0.000 0.000 0.217 39 A C 2.383 179.778 177.584 -0.314 0.000 1.186 39 A CA 2.123 53.892 52.037 -0.447 0.000 0.624 39 A CB -0.521 17.805 19.000 -1.123 0.000 0.822 39 A HN 0.528 nan 8.150 nan 0.000 0.444 40 R N -0.821 119.541 120.500 -0.231 0.000 2.081 40 R HA -0.074 4.266 4.340 0.000 0.000 0.235 40 R C 2.059 178.305 176.300 -0.090 0.000 1.131 40 R CA 1.464 57.485 56.100 -0.131 0.000 0.960 40 R CB -0.595 29.659 30.300 -0.077 0.000 0.856 40 R HN 0.389 nan 8.270 nan 0.000 0.436 41 V N 0.934 120.799 119.914 -0.081 0.000 2.295 41 V HA -0.246 3.874 4.120 0.000 0.000 0.246 41 V C 2.411 178.468 176.094 -0.062 0.000 1.049 41 V CA 2.043 64.308 62.300 -0.058 0.000 1.024 41 V CB -0.727 31.067 31.823 -0.047 0.000 0.648 41 V HN 0.432 nan 8.190 nan 0.000 0.447 42 A N -0.307 122.465 122.820 -0.080 0.000 1.873 42 A HA -0.152 4.168 4.320 0.000 0.000 0.215 42 A C 2.382 179.925 177.584 -0.069 0.000 1.186 42 A CA 1.501 53.494 52.037 -0.072 0.000 0.616 42 A CB -0.315 18.636 19.000 -0.082 0.000 0.823 42 A HN 0.433 nan 8.150 nan 0.000 0.442 43 R N -1.062 119.385 120.500 -0.087 0.000 2.146 43 R HA 0.100 4.440 4.340 0.000 0.000 0.206 43 R C 0.732 177.005 176.300 -0.046 0.000 1.049 43 R CA 0.850 56.910 56.100 -0.066 0.000 1.029 43 R CB -0.352 29.898 30.300 -0.083 0.000 0.949 43 R HN 0.469 nan 8.270 nan 0.000 0.471 44 N N -0.250 118.418 118.700 -0.053 0.000 2.282 44 N HA 0.052 4.792 4.740 0.000 0.000 0.185 44 N C 0.869 176.364 175.510 -0.026 0.000 1.099 44 N CA 0.883 53.914 53.050 -0.033 0.000 0.878 44 N CB 0.782 39.249 38.487 -0.032 0.000 0.993 44 N HN 0.350 nan 8.380 nan 0.000 0.481 45 G N 0.842 109.624 108.800 -0.031 0.000 2.160 45 G HA2 -0.296 3.664 3.960 0.000 0.000 0.251 45 G HA3 -0.296 3.664 3.960 0.000 0.000 0.251 45 G C 0.022 174.910 174.900 -0.019 0.000 1.008 45 G CA 0.547 45.633 45.100 -0.023 0.000 0.724 45 G HN 0.274 nan 8.290 nan 0.000 0.514 46 T N 1.668 116.208 114.554 -0.024 0.000 2.849 46 T HA 0.257 4.607 4.350 0.000 0.000 0.289 46 T C 1.370 176.061 174.700 -0.015 0.000 1.010 46 T CA 0.116 62.205 62.100 -0.018 0.000 1.161 46 T CB 0.551 69.405 68.868 -0.024 0.000 0.989 46 T HN 0.395 nan 8.240 nan 0.000 0.523 47 L N 3.157 124.375 121.223 -0.009 0.000 2.499 47 L HA 0.264 4.604 4.340 0.000 0.000 0.281 47 L C 0.593 177.459 176.870 -0.006 0.000 1.234 47 L CA -0.155 54.682 54.840 -0.005 0.000 0.839 47 L CB 0.078 42.136 42.059 -0.001 0.000 1.104 47 L HN 0.351 nan 8.230 nan 0.000 0.500 48 V N 1.497 121.408 119.914 -0.004 0.000 2.960 48 V HA 0.582 4.702 4.120 0.000 0.000 0.315 48 V C -0.516 175.578 176.094 0.000 0.000 1.087 48 V CA -0.227 62.071 62.300 -0.004 0.000 0.982 48 V CB 2.463 34.282 31.823 -0.006 0.000 1.039 48 V HN 0.789 nan 8.190 nan 0.000 0.437 49 S N 3.510 119.209 115.700 -0.000 0.000 2.614 49 S HA 0.603 5.074 4.470 0.000 0.000 0.275 49 S C -1.035 173.566 174.600 0.002 0.000 1.161 49 S CA -0.593 57.608 58.200 0.002 0.000 0.969 49 S CB 1.003 64.204 63.200 0.002 0.000 1.059 49 S HN 0.599 nan 8.310 nan 0.000 0.482 50 L N 2.907 124.133 121.223 0.004 0.000 2.461 50 L HA 0.273 4.613 4.340 0.000 0.000 0.272 50 L C 1.338 178.211 176.870 0.004 0.000 1.197 50 L CA -0.241 54.601 54.840 0.005 0.000 0.836 50 L CB 0.585 42.648 42.059 0.006 0.000 1.105 50 L HN 0.573 nan 8.230 nan 0.000 0.477 51 T N 1.046 115.603 114.554 0.004 0.000 2.900 51 T HA 0.016 4.366 4.350 0.000 0.000 0.307 51 T C 1.104 175.807 174.700 0.004 0.000 1.065 51 T CA -0.374 61.729 62.100 0.004 0.000 1.105 51 T CB 0.430 69.300 68.868 0.004 0.000 0.979 51 T HN 0.820 nan 8.240 nan 0.000 0.544 52 N N 2.859 121.561 118.700 0.004 0.000 2.356 52 N HA -0.028 4.712 4.740 0.000 0.000 0.178 52 N C 0.542 176.054 175.510 0.004 0.000 1.075 52 N CA -0.050 53.002 53.050 0.004 0.000 0.889 52 N CB -0.707 37.782 38.487 0.003 0.000 0.999 52 N HN 0.556 nan 8.380 nan 0.000 0.464 53 N N 1.514 120.216 118.700 0.004 0.000 2.030 53 N HA -0.126 4.614 4.740 0.000 0.000 0.292 53 N C 0.917 176.430 175.510 0.004 0.000 1.315 53 N CA 1.074 54.127 53.050 0.004 0.000 0.810 53 N CB 0.676 39.165 38.487 0.004 0.000 1.048 53 N HN 0.518 nan 8.380 nan 0.000 0.492 54 T N 0.461 115.018 114.554 0.004 0.000 2.867 54 T HA -0.125 4.225 4.350 0.000 0.000 0.268 54 T C 0.997 175.700 174.700 0.005 0.000 1.057 54 T CA 1.352 63.455 62.100 0.004 0.000 1.136 54 T CB -0.023 68.848 68.868 0.004 0.000 0.874 54 T HN 0.407 nan 8.240 nan 0.000 0.466 55 D N 1.552 121.955 120.400 0.005 0.000 2.097 55 D HA -0.030 4.610 4.640 0.000 0.000 0.195 55 D C 2.103 178.407 176.300 0.007 0.000 0.989 55 D CA 0.981 54.984 54.000 0.005 0.000 0.827 55 D CB -0.229 40.574 40.800 0.004 0.000 0.966 55 D HN 0.320 nan 8.370 nan 0.000 0.456 56 I N 0.381 120.955 120.570 0.007 0.000 2.202 56 I HA -0.165 4.005 4.170 0.000 0.000 0.242 56 I C 2.381 178.504 176.117 0.010 0.000 1.091 56 I CA 0.957 62.262 61.300 0.009 0.000 1.368 56 I CB -1.064 36.941 38.000 0.008 0.000 1.058 56 I HN 0.107 nan 8.210 nan 0.000 0.410 57 L N -0.088 121.139 121.223 0.008 0.000 2.131 57 L HA -0.199 4.141 4.340 0.000 0.000 0.210 57 L C 2.696 179.571 176.870 0.008 0.000 1.092 57 L CA 0.975 55.819 54.840 0.007 0.000 0.759 57 L CB -0.622 41.440 42.059 0.005 0.000 0.903 57 L HN 0.265 nan 8.230 nan 0.000 0.435 58 Q N 0.252 120.057 119.800 0.008 0.000 2.096 58 Q HA -0.151 4.189 4.340 0.000 0.000 0.204 58 Q C 2.258 178.265 176.000 0.012 0.000 0.982 58 Q CA 1.840 57.648 55.803 0.010 0.000 0.850 58 Q CB -0.615 28.129 28.738 0.009 0.000 0.901 58 Q HN 0.539 nan 8.270 nan 0.000 0.422 59 G N 0.437 109.244 108.800 0.012 0.000 2.422 59 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 59 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 59 G C 1.589 176.499 174.900 0.017 0.000 1.146 59 G CA 0.655 45.764 45.100 0.014 0.000 0.769 59 G HN 0.353 nan 8.290 nan 0.000 0.547 60 I N 0.068 120.648 120.570 0.016 0.000 2.226 60 I HA -0.180 3.990 4.170 0.000 0.000 0.245 60 I C 2.812 178.936 176.117 0.011 0.000 1.100 60 I CA 1.412 62.721 61.300 0.014 0.000 1.374 60 I CB -0.157 37.849 38.000 0.010 0.000 1.057 60 I HN 0.192 nan 8.210 nan 0.000 0.413 61 Q N 1.336 121.142 119.800 0.011 0.000 2.046 61 Q HA -0.120 4.220 4.340 0.000 0.000 0.200 61 Q C 2.175 178.188 176.000 0.023 0.000 0.975 61 Q CA 2.212 58.022 55.803 0.011 0.000 0.836 61 Q CB -0.343 28.401 28.738 0.009 0.000 0.896 61 Q HN 0.464 nan 8.270 nan 0.000 0.428 62 A N -0.103 122.733 122.820 0.028 0.000 1.933 62 A HA -0.173 4.147 4.320 0.000 0.000 0.218 62 A C 2.260 179.887 177.584 0.072 0.000 1.175 62 A CA 2.123 54.186 52.037 0.043 0.000 0.628 62 A CB -0.977 18.044 19.000 0.034 0.000 0.814 62 A HN 0.581 nan 8.150 nan 0.000 0.444 63 S N -1.559 114.175 115.700 0.057 0.000 2.406 63 S HA -0.158 4.312 4.470 0.000 0.000 0.228 63 S C 1.981 176.644 174.600 0.105 0.000 1.020 63 S CA 1.100 59.348 58.200 0.080 0.000 0.965 63 S CB -1.222 62.001 63.200 0.037 0.000 0.798 63 S HN 0.575 nan 8.310 nan 0.000 0.488 64 C N 2.189 121.523 119.300 0.057 0.000 2.413 64 C HA -0.098 4.362 4.460 0.000 0.000 0.277 64 C C 2.489 177.500 174.990 0.035 0.000 1.228 64 C CA 1.493 60.531 59.018 0.033 0.000 1.731 64 C CB -1.423 26.322 27.740 0.009 0.000 2.042 64 C HN 0.617 nan 8.230 nan 0.000 0.468 65 D N -1.176 119.248 120.400 0.039 0.000 2.097 65 D HA -0.155 4.486 4.640 0.000 0.000 0.195 65 D C 1.720 178.032 176.300 0.021 0.000 0.989 65 D CA 1.575 55.589 54.000 0.022 0.000 0.827 65 D CB -0.817 39.998 40.800 0.025 0.000 0.966 65 D HN 0.730 nan 8.370 nan 0.000 0.456 66 Y N 1.124 121.413 120.300 -0.019 0.000 2.128 66 Y HA -0.217 4.333 4.550 0.000 0.000 0.284 66 Y C 2.175 178.060 175.900 -0.025 0.000 1.154 66 Y CA 1.315 59.401 58.100 -0.024 0.000 1.149 66 Y CB -0.150 38.292 38.460 -0.030 0.000 0.976 66 Y HN -0.105 nan 8.280 nan 0.000 0.505 67 I N 0.776 121.391 120.570 0.074 0.000 2.353 67 I HA -0.254 3.916 4.170 0.000 0.000 0.248 67 I C 1.372 177.429 176.117 -0.100 0.000 1.119 67 I CA 1.536 62.840 61.300 0.006 0.000 1.417 67 I CB -0.941 37.127 38.000 0.114 0.000 1.078 67 I HN 0.406 nan 8.210 nan 0.000 0.421 68 N N 0.842 119.495 118.700 -0.077 0.000 2.270 68 N HA -0.134 4.606 4.740 0.000 0.000 0.181 68 N C 1.446 176.885 175.510 -0.119 0.000 1.016 68 N CA 0.917 53.919 53.050 -0.080 0.000 0.870 68 N CB -0.023 38.435 38.487 -0.047 0.000 0.979 68 N HN 0.288 nan 8.380 nan 0.000 0.431 69 N N 0.921 119.519 118.700 -0.169 0.000 2.084 69 N HA -0.081 4.659 4.740 0.000 0.000 0.190 69 N C 1.629 176.985 175.510 -0.257 0.000 1.030 69 N CA 1.215 54.147 53.050 -0.198 0.000 0.849 69 N CB -0.581 37.782 38.487 -0.207 0.000 1.012 69 N HN 0.221 nan 8.380 nan 0.000 0.423 70 A N 0.732 123.300 122.820 -0.421 0.000 1.933 70 A HA -0.066 4.254 4.320 0.000 0.000 0.218 70 A C 2.489 179.964 177.584 -0.182 0.000 1.175 70 A CA 1.285 53.097 52.037 -0.374 0.000 0.628 70 A CB -0.723 17.950 19.000 -0.545 0.000 0.814 70 A HN 0.117 nan 8.150 nan 0.000 0.444 71 V N -0.117 119.711 119.914 -0.144 0.000 2.453 71 V HA -0.171 3.949 4.120 0.000 0.000 0.247 71 V C 2.546 178.597 176.094 -0.073 0.000 1.048 71 V CA 1.933 64.183 62.300 -0.084 0.000 1.049 71 V CB -0.574 31.212 31.823 -0.062 0.000 0.672 71 V HN 0.551 nan 8.190 nan 0.000 0.457 72 E N 0.630 120.781 120.200 -0.082 0.000 2.150 72 E HA -0.147 4.203 4.350 0.000 0.000 0.193 72 E C 2.290 178.854 176.600 -0.061 0.000 0.985 72 E CA 1.481 57.843 56.400 -0.064 0.000 0.814 72 E CB -0.074 29.588 29.700 -0.063 0.000 0.752 72 E HN 0.684 nan 8.360 nan 0.000 0.466 73 S N -0.988 114.666 115.700 -0.077 0.000 2.650 73 S HA 0.133 4.603 4.470 0.000 0.000 0.219 73 S C 1.344 175.913 174.600 -0.052 0.000 0.960 73 S CA 0.766 58.927 58.200 -0.065 0.000 0.925 73 S CB 0.041 63.195 63.200 -0.077 0.000 0.775 73 S HN 0.289 nan 8.310 nan 0.000 0.525 74 G N 0.614 109.384 108.800 -0.050 0.000 2.179 74 G HA2 -0.282 3.678 3.960 0.000 0.000 0.257 74 G HA3 -0.282 3.678 3.960 0.000 0.000 0.257 74 G C -0.235 174.648 174.900 -0.029 0.000 1.010 74 G CA 0.318 45.396 45.100 -0.036 0.000 0.736 74 G HN 0.650 nan 8.290 nan 0.000 0.513 75 E N 1.059 121.237 120.200 -0.036 0.000 2.384 75 E HA 0.338 4.688 4.350 0.000 0.000 0.266 75 E C -2.043 174.561 176.600 0.006 0.000 1.012 75 E CA -1.254 55.136 56.400 -0.017 0.000 0.901 75 E CB 0.795 30.479 29.700 -0.027 0.000 0.967 75 E HN 0.207 nan 8.360 nan 0.000 0.435 76 P HA 0.165 nan 4.420 nan 0.000 0.287 76 P C -0.937 176.430 177.300 0.112 0.000 1.294 76 P CA -0.169 62.964 63.100 0.055 0.000 0.776 76 P CB 0.239 31.975 31.700 0.061 0.000 0.889 77 I N 1.800 122.445 120.570 0.126 0.000 2.656 77 I HA 0.485 4.655 4.170 0.000 0.000 0.292 77 I C -1.120 175.117 176.117 0.200 0.000 1.144 77 I CA -1.507 59.943 61.300 0.250 0.000 1.038 77 I CB 1.768 39.877 38.000 0.181 0.000 1.244 77 I HN 0.134 nan 8.210 nan 0.000 0.420 78 Y N 7.070 127.493 120.300 0.205 0.000 2.610 78 Y HA 0.424 4.974 4.550 0.000 0.000 0.332 78 Y C 1.421 177.291 175.900 -0.050 0.000 1.201 78 Y CA 1.129 59.161 58.100 -0.113 0.000 1.465 78 Y CB 0.725 38.896 38.460 -0.482 0.000 1.283 78 Y HN 1.212 nan 8.280 nan 0.000 0.563 79 G N 3.202 111.229 108.800 -1.288 0.000 2.166 79 G HA2 -0.277 3.683 3.960 0.000 0.000 0.260 79 G HA3 -0.277 3.683 3.960 0.000 0.000 0.260 79 G C 0.256 174.868 174.900 -0.480 0.000 0.986 79 G CA 0.691 45.096 45.100 -1.158 0.000 0.683 79 G HN 0.842 nan 8.290 nan 0.000 0.527 80 V N -1.339 118.380 119.914 -0.325 0.000 3.261 80 V HA 0.154 4.274 4.120 0.000 0.000 0.212 80 V C 1.868 177.883 176.094 -0.131 0.000 1.381 80 V CA 1.789 64.005 62.300 -0.139 0.000 1.322 80 V CB 0.530 32.333 31.823 -0.033 0.000 1.188 80 V HN 0.386 nan 8.190 nan 0.000 0.520 81 T N 0.546 115.032 114.554 -0.112 0.000 3.214 81 T HA 0.383 4.733 4.350 0.000 0.000 0.264 81 T C 0.279 174.906 174.700 -0.121 0.000 1.012 81 T CA 0.543 62.590 62.100 -0.089 0.000 0.901 81 T CB -0.077 68.771 68.868 -0.033 0.000 1.070 81 T HN 0.542 nan 8.240 nan 0.000 0.561 82 S N -0.107 115.452 115.700 -0.235 0.000 2.651 82 S HA 0.751 5.221 4.470 0.000 0.000 0.279 82 S C -0.064 174.200 174.600 -0.561 0.000 1.148 82 S CA -0.397 57.640 58.200 -0.273 0.000 0.837 82 S CB 1.550 64.657 63.200 -0.156 0.000 1.138 82 S HN 1.085 nan 8.310 nan 0.000 0.478 83 G N 0.536 108.996 108.800 -0.567 0.000 3.129 83 G HA2 -0.026 3.935 3.960 0.000 0.000 0.385 83 G HA3 -0.026 3.935 3.960 0.000 0.000 0.385 83 G C -0.869 173.806 174.900 -0.376 0.000 1.046 83 G CA -0.720 44.192 45.100 -0.312 0.000 0.933 83 G HN 0.749 nan 8.290 nan 0.000 0.424 84 F N 1.764 121.728 119.950 0.023 0.000 2.422 84 F HA 0.642 5.169 4.527 0.000 0.000 0.333 84 F C 1.601 177.535 175.800 0.224 0.000 1.095 84 F CA 0.604 58.688 58.000 0.139 0.000 1.038 84 F CB 1.616 40.698 39.000 0.137 0.000 1.156 84 F HN 1.217 nan 8.300 nan 0.000 0.483 85 G N 1.834 110.954 108.800 0.534 0.000 2.660 85 G HA2 -0.248 3.712 3.960 0.000 0.000 0.321 85 G HA3 -0.248 3.712 3.960 0.000 0.000 0.321 85 G C 0.683 175.670 174.900 0.145 0.000 1.246 85 G CA -0.111 45.127 45.100 0.231 0.000 1.000 85 G HN 1.155 nan 8.290 nan 0.000 0.550 89 N N -0.392 118.327 118.700 0.031 0.000 2.398 89 N HA 0.184 4.924 4.740 0.000 0.000 0.188 89 N C -0.100 175.411 175.510 0.002 0.000 1.122 89 N CA 0.241 53.303 53.050 0.019 0.000 0.866 89 N CB 0.505 39.004 38.487 0.019 0.000 0.970 89 N HN 0.102 nan 8.380 nan 0.000 0.462 90 V N 1.673 121.579 119.914 -0.013 0.000 2.385 90 V HA 0.432 4.552 4.120 0.000 0.000 0.269 90 V C 0.436 176.502 176.094 -0.047 0.000 1.043 90 V CA -1.023 61.258 62.300 -0.032 0.000 0.906 90 V CB 0.679 32.473 31.823 -0.047 0.000 0.995 90 V HN 0.331 nan 8.190 nan 0.000 0.467 91 A N 6.861 129.661 122.820 -0.034 0.000 2.409 91 A HA 0.686 5.006 4.320 0.000 0.000 0.262 91 A C -0.296 177.257 177.584 -0.052 0.000 1.113 91 A CA -0.174 51.841 52.037 -0.037 0.000 0.790 91 A CB 0.048 19.036 19.000 -0.020 0.000 1.046 91 A HN 1.044 nan 8.150 nan 0.000 0.496 92 I N 1.227 121.756 120.570 -0.068 0.000 2.509 92 I HA 0.650 4.821 4.170 0.000 0.000 0.293 92 I C 0.175 176.261 176.117 -0.050 0.000 1.020 92 I CA -0.412 60.849 61.300 -0.064 0.000 1.088 92 I CB 2.260 40.209 38.000 -0.085 0.000 1.267 92 I HN 0.601 nan 8.210 nan 0.000 0.430 93 S N 4.270 119.949 115.700 -0.036 0.000 2.645 93 S HA 0.257 4.728 4.470 0.000 0.000 0.266 93 S C 1.484 176.066 174.600 -0.030 0.000 1.258 93 S CA -0.160 58.022 58.200 -0.030 0.000 0.990 93 S CB 1.380 64.566 63.200 -0.023 0.000 0.967 93 S HN 0.864 nan 8.310 nan 0.000 0.556 94 R N -0.608 119.875 120.500 -0.028 0.000 2.159 94 R HA 0.022 4.362 4.340 0.000 0.000 0.237 94 R C 2.130 178.417 176.300 -0.021 0.000 1.131 94 R CA 1.508 57.591 56.100 -0.028 0.000 0.982 94 R CB -2.472 27.809 30.300 -0.030 0.000 0.868 94 R HN 0.988 nan 8.270 nan 0.000 0.453 95 E N 1.780 121.969 120.200 -0.018 0.000 2.418 95 E HA -0.055 4.295 4.350 0.000 0.000 0.197 95 E C 1.853 178.448 176.600 -0.009 0.000 1.026 95 E CA 0.904 57.296 56.400 -0.013 0.000 0.862 95 E CB -0.260 29.433 29.700 -0.012 0.000 0.799 95 E HN 0.908 nan 8.360 nan 0.000 0.518 96 Q N -1.582 118.211 119.800 -0.011 0.000 2.155 96 Q HA 0.586 4.926 4.340 0.000 0.000 0.220 96 Q C 1.774 177.772 176.000 -0.003 0.000 0.819 96 Q CA 0.620 56.421 55.803 -0.004 0.000 1.032 96 Q CB 0.452 29.188 28.738 -0.002 0.000 1.151 96 Q HN 0.343 nan 8.270 nan 0.000 0.487 97 A N 1.525 124.338 122.820 -0.011 0.000 1.902 97 A HA -0.183 4.137 4.320 0.000 0.000 0.217 97 A C 2.304 179.892 177.584 0.006 0.000 1.181 97 A CA 1.983 54.011 52.037 -0.015 0.000 0.623 97 A CB -0.525 18.462 19.000 -0.023 0.000 0.818 97 A HN 0.451 nan 8.150 nan 0.000 0.443 98 S N -0.270 115.435 115.700 0.010 0.000 2.355 98 S HA -0.197 4.273 4.470 0.000 0.000 0.222 98 S C 1.859 176.484 174.600 0.042 0.000 1.031 98 S CA 1.568 59.780 58.200 0.020 0.000 0.993 98 S CB -0.478 62.729 63.200 0.011 0.000 0.859 98 S HN 0.645 nan 8.310 nan 0.000 0.453 99 E N 0.673 120.899 120.200 0.044 0.000 2.097 99 E HA -0.198 4.152 4.350 0.000 0.000 0.196 99 E C 2.093 178.753 176.600 0.101 0.000 1.000 99 E CA 1.402 57.842 56.400 0.066 0.000 0.804 99 E CB -0.437 29.292 29.700 0.048 0.000 0.740 99 E HN 0.428 nan 8.360 nan 0.000 0.454 100 L N 1.425 122.704 121.223 0.094 0.000 1.997 100 L HA -0.298 4.042 4.340 0.000 0.000 0.216 100 L C 2.306 179.320 176.870 0.239 0.000 1.074 100 L CA 1.894 56.827 54.840 0.155 0.000 0.763 100 L CB -0.334 41.769 42.059 0.073 0.000 0.890 100 L HN 0.081 nan 8.230 nan 0.000 0.434 101 Q N -1.113 118.786 119.800 0.164 0.000 2.084 101 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 101 Q C 2.186 178.229 176.000 0.071 0.000 0.978 101 Q CA 2.201 58.079 55.803 0.124 0.000 0.844 101 Q CB -0.899 27.875 28.738 0.061 0.000 0.898 101 Q HN 0.569 nan 8.270 nan 0.000 0.426 102 T N 1.380 115.986 114.554 0.088 0.000 2.746 102 T HA -0.127 4.223 4.350 0.000 0.000 0.267 102 T C 1.677 176.499 174.700 0.203 0.000 1.039 102 T CA 1.513 63.674 62.100 0.102 0.000 1.142 102 T CB -0.295 68.648 68.868 0.125 0.000 0.866 102 T HN 0.287 nan 8.240 nan 0.000 0.444 103 N N 0.565 119.417 118.700 0.254 0.000 2.459 103 N HA 0.011 4.752 4.740 0.000 0.000 0.181 103 N C 1.555 177.273 175.510 0.346 0.000 1.046 103 N CA 0.178 53.444 53.050 0.360 0.000 0.904 103 N CB -0.273 38.395 38.487 0.302 0.000 0.964 103 N HN 0.173 nan 8.380 nan 0.000 0.444 104 L N -0.229 121.087 121.223 0.154 0.000 2.056 104 L HA -0.041 4.299 4.340 0.000 0.000 0.207 104 L C 1.820 178.412 176.870 -0.463 0.000 1.078 104 L CA 1.300 56.001 54.840 -0.232 0.000 0.749 104 L CB -0.600 41.279 42.059 -0.299 0.000 0.901 104 L HN -0.008 nan 8.230 nan 0.000 0.433 105 V N -1.263 118.493 119.914 -0.263 0.000 2.332 105 V HA -0.334 3.786 4.120 0.000 0.000 0.248 105 V C 2.207 178.138 176.094 -0.272 0.000 1.055 105 V CA 2.377 64.478 62.300 -0.332 0.000 1.038 105 V CB -1.048 30.537 31.823 -0.398 0.000 0.651 105 V HN 0.577 nan 8.190 nan 0.000 0.450 106 W N 0.078 121.332 121.300 -0.077 0.000 2.409 106 W HA -0.103 4.557 4.660 0.000 0.000 0.299 106 W C 2.410 178.922 176.519 -0.011 0.000 1.203 106 W CA 1.332 58.677 57.345 -0.000 0.000 1.298 106 W CB -0.442 29.058 29.460 0.066 0.000 1.127 106 W HN 0.436 nan 8.180 nan 0.000 0.528 107 F N -1.431 118.635 119.950 0.193 0.000 2.710 107 F HA 0.164 4.691 4.527 0.000 0.000 0.298 107 F C 1.354 177.171 175.800 0.028 0.000 1.137 107 F CA 0.913 58.972 58.000 0.099 0.000 1.444 107 F CB -0.915 38.128 39.000 0.071 0.000 1.111 107 F HN -0.224 nan 8.300 nan 0.000 0.580 108 L N 0.741 121.677 121.223 -0.477 0.000 2.591 108 L HA 0.110 4.450 4.340 0.000 0.000 0.228 108 L C 1.263 178.025 176.870 -0.180 0.000 1.133 108 L CA 0.289 54.907 54.840 -0.370 0.000 0.880 108 L CB -0.366 41.373 42.059 -0.533 0.000 1.033 108 L HN 0.050 nan 8.230 nan 0.000 0.450 109 K N 1.549 121.850 120.400 -0.166 0.000 2.737 109 K HA 0.030 4.350 4.320 0.000 0.000 0.251 109 K C 0.283 176.863 176.600 -0.033 0.000 1.280 109 K CA 0.079 56.221 56.287 -0.241 0.000 1.219 109 K CB -0.247 32.027 32.500 -0.376 0.000 1.587 109 K HN 0.121 nan 8.250 nan 0.000 0.279 110 T N -1.988 112.587 114.554 0.036 0.000 3.448 110 T HA 0.254 4.604 4.350 0.000 0.000 0.271 110 T C 0.562 175.234 174.700 -0.048 0.000 1.002 110 T CA -0.796 61.309 62.100 0.010 0.000 0.995 110 T CB 0.871 69.755 68.868 0.027 0.000 1.153 110 T HN 0.222 nan 8.240 nan 0.000 0.510 111 G N 0.633 109.353 108.800 -0.134 0.000 2.569 111 G HA2 0.632 4.592 3.960 0.000 0.000 0.249 111 G HA3 0.632 4.592 3.960 0.000 0.000 0.249 111 G C -0.320 174.124 174.900 -0.761 0.000 1.216 111 G CA -0.260 44.558 45.100 -0.471 0.000 0.845 111 G HN 0.878 nan 8.290 nan 0.000 0.568 112 A N -0.414 122.225 122.820 -0.301 0.000 2.569 112 A HA 1.036 5.356 4.320 0.000 0.000 0.290 112 A C 0.434 178.210 177.584 0.318 0.000 1.136 112 A CA 0.453 52.511 52.037 0.036 0.000 0.710 112 A CB 1.167 20.286 19.000 0.198 0.000 1.303 112 A HN 2.696 nan 8.150 nan 0.000 0.413 113 G N 0.460 109.460 108.800 0.333 0.000 2.660 113 G HA2 -0.085 3.875 3.960 0.000 0.000 0.215 113 G HA3 -0.085 3.875 3.960 0.000 0.000 0.215 113 G C -0.443 174.462 174.900 0.008 0.000 1.345 113 G CA -0.244 44.906 45.100 0.083 0.000 0.877 113 G HN 1.162 nan 8.290 nan 0.000 0.549 114 N N 0.993 119.606 118.700 -0.145 0.000 2.371 114 N HA 0.290 5.030 4.740 0.000 0.000 0.243 114 N C 0.526 175.923 175.510 -0.189 0.000 1.287 114 N CA 0.060 53.025 53.050 -0.142 0.000 0.911 114 N CB 0.323 38.739 38.487 -0.117 0.000 1.142 114 N HN 0.543 nan 8.380 nan 0.000 0.451 115 K N 0.910 121.196 120.400 -0.190 0.000 2.098 115 K HA 0.354 4.674 4.320 0.000 0.000 0.257 115 K C 0.308 176.854 176.600 -0.090 0.000 0.999 115 K CA -0.559 55.623 56.287 -0.175 0.000 0.924 115 K CB 0.791 33.222 32.500 -0.115 0.000 1.028 115 K HN 0.384 nan 8.250 nan 0.000 0.466 116 L N 3.503 124.692 121.223 -0.056 0.000 2.456 116 L HA 0.100 4.440 4.340 0.000 0.000 0.272 116 L C -1.662 175.192 176.870 -0.026 0.000 1.189 116 L CA -1.726 53.088 54.840 -0.043 0.000 0.846 116 L CB -0.041 42.007 42.059 -0.019 0.000 1.111 116 L HN 0.311 nan 8.230 nan 0.000 0.475 117 P HA -0.036 nan 4.420 nan 0.000 0.265 117 P C 0.773 178.052 177.300 -0.035 0.000 1.187 117 P CA 0.057 63.142 63.100 -0.024 0.000 0.766 117 P CB 0.659 32.344 31.700 -0.025 0.000 0.820 118 L N 1.961 123.157 121.223 -0.044 0.000 2.131 118 L HA -0.188 4.152 4.340 0.000 0.000 0.210 118 L C 2.503 179.339 176.870 -0.057 0.000 1.092 118 L CA 1.764 56.560 54.840 -0.074 0.000 0.759 118 L CB -0.980 41.021 42.059 -0.096 0.000 0.903 118 L HN 0.392 nan 8.230 nan 0.000 0.435 119 A N -0.114 122.679 122.820 -0.044 0.000 1.972 119 A HA -0.213 4.107 4.320 0.000 0.000 0.219 119 A C 1.873 179.433 177.584 -0.040 0.000 1.169 119 A CA 1.884 53.895 52.037 -0.043 0.000 0.635 119 A CB -0.374 18.602 19.000 -0.039 0.000 0.810 119 A HN 0.341 nan 8.150 nan 0.000 0.446 120 D N -0.524 119.856 120.400 -0.034 0.000 2.194 120 D HA -0.033 4.607 4.640 0.000 0.000 0.204 120 D C 2.003 178.295 176.300 -0.013 0.000 0.964 120 D CA 1.131 55.115 54.000 -0.027 0.000 0.846 120 D CB -0.151 40.629 40.800 -0.034 0.000 0.962 120 D HN 0.258 nan 8.370 nan 0.000 0.490 121 V N 0.875 120.778 119.914 -0.018 0.000 2.453 121 V HA -0.145 3.975 4.120 0.000 0.000 0.247 121 V C 2.402 178.489 176.094 -0.012 0.000 1.048 121 V CA 1.200 63.495 62.300 -0.008 0.000 1.049 121 V CB -0.344 31.464 31.823 -0.024 0.000 0.672 121 V HN 0.084 nan 8.190 nan 0.000 0.457 122 R N 0.455 120.939 120.500 -0.026 0.000 2.073 122 R HA -0.110 4.230 4.340 0.000 0.000 0.234 122 R C 2.516 178.802 176.300 -0.025 0.000 1.134 122 R CA 1.544 57.629 56.100 -0.025 0.000 0.952 122 R CB -0.652 29.627 30.300 -0.036 0.000 0.850 122 R HN 0.521 nan 8.270 nan 0.000 0.433 123 A N 1.631 124.433 122.820 -0.029 0.000 1.883 123 A HA -0.033 4.287 4.320 0.000 0.000 0.217 123 A C 1.482 179.055 177.584 -0.020 0.000 1.186 123 A CA 1.337 53.356 52.037 -0.030 0.000 0.624 123 A CB -0.702 18.278 19.000 -0.033 0.000 0.822 123 A HN 0.433 nan 8.150 nan 0.000 0.444 127 L N 0.099 121.294 121.223 -0.047 0.000 2.072 127 L HA -0.037 4.303 4.340 0.000 0.000 0.205 127 L C 2.554 179.360 176.870 -0.107 0.000 1.079 127 L CA 1.576 56.380 54.840 -0.060 0.000 0.752 127 L CB -0.519 41.514 42.059 -0.044 0.000 0.906 127 L HN 0.308 nan 8.230 nan 0.000 0.436 128 R N 0.837 121.260 120.500 -0.129 0.000 2.091 128 R HA -0.156 4.184 4.340 0.000 0.000 0.238 128 R C 2.292 178.389 176.300 -0.338 0.000 1.136 128 R CA 1.721 57.665 56.100 -0.261 0.000 0.959 128 R CB -0.490 29.709 30.300 -0.169 0.000 0.856 128 R HN 0.340 nan 8.270 nan 0.000 0.437 129 A N 0.377 123.127 122.820 -0.116 0.000 1.858 129 A HA -0.206 4.114 4.320 0.000 0.000 0.216 129 A C 2.032 179.600 177.584 -0.027 0.000 1.190 129 A CA 1.786 53.814 52.037 -0.015 0.000 0.617 129 A CB -0.967 18.034 19.000 0.002 0.000 0.827 129 A HN 0.493 nan 8.150 nan 0.000 0.443 130 N N 0.097 118.768 118.700 -0.049 0.000 2.060 130 N HA -0.192 4.548 4.740 0.000 0.000 0.195 130 N C 2.043 177.523 175.510 -0.051 0.000 1.028 130 N CA 1.983 55.008 53.050 -0.040 0.000 0.861 130 N CB -0.395 38.066 38.487 -0.042 0.000 1.029 130 N HN 0.427 nan 8.380 nan 0.000 0.428 131 S N -0.971 114.659 115.700 -0.117 0.000 2.353 131 S HA -0.125 4.346 4.470 0.000 0.000 0.222 131 S C 0.666 175.239 174.600 -0.046 0.000 1.035 131 S CA 0.889 59.015 58.200 -0.124 0.000 1.025 131 S CB -0.543 62.524 63.200 -0.223 0.000 0.902 131 S HN 0.539 nan 8.310 nan 0.000 0.440 135 G N 1.150 109.977 108.800 0.045 0.000 2.147 135 G HA2 -0.271 3.689 3.960 0.000 0.000 0.244 135 G HA3 -0.271 3.689 3.960 0.000 0.000 0.244 135 G C 0.513 175.432 174.900 0.033 0.000 1.005 135 G CA 0.586 45.708 45.100 0.036 0.000 0.713 135 G HN 0.540 nan 8.290 nan 0.000 0.515 136 A N -0.784 122.065 122.820 0.048 0.000 2.564 136 A HA 0.746 5.066 4.320 0.000 0.000 0.279 136 A C 1.651 179.271 177.584 0.060 0.000 1.232 136 A CA 1.376 53.438 52.037 0.041 0.000 0.950 136 A CB 0.277 19.304 19.000 0.046 0.000 1.138 136 A HN 0.757 nan 8.150 nan 0.000 0.526 137 S N -1.353 114.391 115.700 0.074 0.000 2.549 137 S HA 0.377 4.847 4.470 0.000 0.000 0.225 137 S C 1.317 175.946 174.600 0.048 0.000 1.039 137 S CA 0.490 58.745 58.200 0.092 0.000 0.942 137 S CB 0.509 63.813 63.200 0.175 0.000 0.881 137 S HN 1.621 nan 8.310 nan 0.000 0.503 138 G N 2.132 110.951 108.800 0.031 0.000 2.198 138 G HA2 -0.258 3.702 3.960 0.000 0.000 0.257 138 G HA3 -0.258 3.702 3.960 0.000 0.000 0.257 138 G C -0.068 174.819 174.900 -0.023 0.000 1.042 138 G CA 0.297 45.414 45.100 0.028 0.000 0.791 138 G HN 0.554 nan 8.290 nan 0.000 0.502 139 I N -0.186 120.336 120.570 -0.079 0.000 2.437 139 I HA 0.523 4.694 4.170 0.000 0.000 0.298 139 I C 0.924 176.973 176.117 -0.113 0.000 0.984 139 I CA -1.397 59.812 61.300 -0.151 0.000 1.214 139 I CB 0.654 38.435 38.000 -0.365 0.000 1.365 139 I HN 0.131 nan 8.210 nan 0.000 0.469 140 R N 4.826 125.266 120.500 -0.098 0.000 2.522 140 R HA -0.016 4.324 4.340 0.000 0.000 0.284 140 R C 0.987 177.243 176.300 -0.073 0.000 1.032 140 R CA -0.261 55.798 56.100 -0.070 0.000 1.049 140 R CB 0.567 30.830 30.300 -0.063 0.000 0.956 140 R HN 0.614 nan 8.270 nan 0.000 0.422 141 L N 3.660 124.855 121.223 -0.045 0.000 2.137 141 L HA -0.261 4.079 4.340 0.000 0.000 0.213 141 L C 1.954 178.801 176.870 -0.039 0.000 1.085 141 L CA 2.002 56.822 54.840 -0.033 0.000 0.760 141 L CB -0.446 41.602 42.059 -0.018 0.000 0.893 141 L HN 0.727 nan 8.230 nan 0.000 0.434 142 E N -1.368 118.806 120.200 -0.044 0.000 2.204 142 E HA -0.224 4.126 4.350 0.000 0.000 0.194 142 E C 2.028 178.590 176.600 -0.064 0.000 0.989 142 E CA 0.864 57.238 56.400 -0.043 0.000 0.824 142 E CB -0.053 29.624 29.700 -0.038 0.000 0.756 142 E HN 0.433 nan 8.360 nan 0.000 0.477 143 L N 0.729 121.900 121.223 -0.087 0.000 2.209 143 L HA 0.037 4.377 4.340 0.000 0.000 0.207 143 L C 1.883 178.688 176.870 -0.108 0.000 1.094 143 L CA 1.084 55.853 54.840 -0.119 0.000 0.790 143 L CB -0.143 41.829 42.059 -0.144 0.000 0.932 143 L HN 0.196 nan 8.230 nan 0.000 0.447 144 I N -0.814 119.711 120.570 -0.074 0.000 2.252 144 I HA -0.246 3.924 4.170 0.000 0.000 0.245 144 I C 2.394 178.496 176.117 -0.026 0.000 1.102 144 I CA 0.914 62.204 61.300 -0.017 0.000 1.385 144 I CB -0.439 37.571 38.000 0.017 0.000 1.064 144 I HN 0.143 nan 8.210 nan 0.000 0.414 145 K N 1.660 122.041 120.400 -0.031 0.000 2.044 145 K HA -0.173 4.147 4.320 0.000 0.000 0.210 145 K C 1.333 177.916 176.600 -0.028 0.000 1.049 145 K CA 1.155 57.430 56.287 -0.021 0.000 0.927 145 K CB -0.298 32.193 32.500 -0.016 0.000 0.713 145 K HN -0.036 nan 8.250 nan 0.000 0.443 149 I N 1.314 121.929 120.570 0.074 0.000 2.179 149 I HA -0.179 3.991 4.170 0.000 0.000 0.242 149 I C 2.238 178.439 176.117 0.140 0.000 1.088 149 I CA 1.516 62.878 61.300 0.102 0.000 1.357 149 I CB -0.306 37.766 38.000 0.121 0.000 1.051 149 I HN 0.134 nan 8.210 nan 0.000 0.409 150 F N 0.493 120.377 119.950 -0.109 0.000 2.134 150 F HA -0.243 4.284 4.527 0.000 0.000 0.299 150 F C 2.383 178.103 175.800 -0.133 0.000 1.097 150 F CA 0.994 58.901 58.000 -0.155 0.000 1.264 150 F CB -0.194 38.721 39.000 -0.143 0.000 1.001 150 F HN -0.014 nan 8.300 nan 0.000 0.479 151 L N -0.156 121.131 121.223 0.106 0.000 2.017 151 L HA -0.262 4.078 4.340 0.000 0.000 0.208 151 L C 1.981 178.848 176.870 -0.005 0.000 1.073 151 L CA 1.193 56.049 54.840 0.028 0.000 0.745 151 L CB -0.614 41.457 42.059 0.019 0.000 0.894 151 L HN 0.129 nan 8.230 nan 0.000 0.432 152 N N -0.155 118.546 118.700 0.002 0.000 2.459 152 N HA -0.054 4.686 4.740 0.000 0.000 0.181 152 N C 1.488 176.990 175.510 -0.014 0.000 1.046 152 N CA 1.170 54.217 53.050 -0.004 0.000 0.904 152 N CB -0.007 38.484 38.487 0.006 0.000 0.964 152 N HN 0.289 nan 8.380 nan 0.000 0.444 153 A N -0.162 122.628 122.820 -0.051 0.000 2.267 153 A HA 0.445 4.765 4.320 0.000 0.000 0.213 153 A C 1.304 178.836 177.584 -0.086 0.000 1.192 153 A CA 0.518 52.517 52.037 -0.063 0.000 0.851 153 A CB -0.152 18.758 19.000 -0.151 0.000 0.881 153 A HN 0.211 nan 8.150 nan 0.000 0.494 154 G N -0.515 108.216 108.800 -0.115 0.000 2.256 154 G HA2 -0.144 3.816 3.960 0.000 0.000 0.272 154 G HA3 -0.144 3.816 3.960 0.000 0.000 0.272 154 G C -0.100 174.658 174.900 -0.237 0.000 1.076 154 G CA 0.199 45.236 45.100 -0.105 0.000 0.882 154 G HN 0.841 nan 8.290 nan 0.000 0.497 155 V N 0.666 120.308 119.914 -0.453 0.000 2.370 155 V HA 0.695 4.815 4.120 0.000 0.000 0.279 155 V C 0.421 176.318 176.094 -0.328 0.000 1.029 155 V CA 0.017 61.913 62.300 -0.673 0.000 0.870 155 V CB 1.780 32.765 31.823 -1.397 0.000 0.984 155 V HN 0.381 nan 8.190 nan 0.000 0.451 156 T N 7.170 121.580 114.554 -0.240 0.000 2.892 156 T HA 0.380 4.730 4.350 0.000 0.000 0.311 156 T C -2.742 171.845 174.700 -0.189 0.000 1.033 156 T CA -1.313 60.697 62.100 -0.150 0.000 0.991 156 T CB 1.692 70.446 68.868 -0.190 0.000 0.981 156 T HN 0.357 nan 8.240 nan 0.000 0.457 157 P HA 0.077 nan 4.420 nan 0.000 0.266 157 P C -0.559 176.673 177.300 -0.113 0.000 1.195 157 P CA -0.266 62.843 63.100 0.015 0.000 0.768 157 P CB 0.205 31.985 31.700 0.133 0.000 0.838 158 Y N 1.253 121.592 120.300 0.065 0.000 2.511 158 Y HA 0.270 4.820 4.550 0.000 0.000 0.332 158 Y C 0.819 176.677 175.900 -0.071 0.000 1.177 158 Y CA 0.678 58.754 58.100 -0.041 0.000 1.422 158 Y CB 0.333 38.732 38.460 -0.103 0.000 1.271 158 Y HN 0.050 nan 8.280 nan 0.000 0.550 159 V N 4.163 124.076 119.914 -0.002 0.000 2.808 159 V HA 0.328 4.448 4.120 0.000 0.000 0.308 159 V C -1.040 175.002 176.094 -0.086 0.000 1.099 159 V CA -1.604 60.661 62.300 -0.058 0.000 0.920 159 V CB 1.583 33.443 31.823 0.061 0.000 1.014 159 V HN 0.557 nan 8.190 nan 0.000 0.425 160 Y N 1.563 121.716 120.300 -0.244 0.000 2.376 160 Y HA 0.286 4.836 4.550 0.000 0.000 0.325 160 Y C 1.619 177.488 175.900 -0.051 0.000 1.199 160 Y CA -0.453 57.539 58.100 -0.179 0.000 1.206 160 Y CB 1.453 39.778 38.460 -0.225 0.000 1.229 160 Y HN 0.850 nan 8.280 nan 0.000 0.480 161 E N 0.789 120.982 120.200 -0.012 0.000 2.274 161 E HA -0.036 4.314 4.350 0.000 0.000 0.194 161 E C -0.656 175.982 176.600 0.064 0.000 0.996 161 E CA 0.778 57.108 56.400 -0.117 0.000 0.840 161 E CB 0.038 29.467 29.700 -0.451 0.000 0.772 161 E HN 0.414 nan 8.360 nan 0.000 0.491 162 F N -0.557 119.550 119.950 0.262 0.000 2.458 162 F HA 0.584 5.111 4.527 0.000 0.000 0.330 162 F C 1.185 177.036 175.800 0.084 0.000 1.082 162 F CA -0.403 57.707 58.000 0.184 0.000 0.995 162 F CB 2.376 41.440 39.000 0.105 0.000 1.170 162 F HN 0.056 nan 8.300 nan 0.000 0.478 163 G N 0.775 109.712 108.800 0.229 0.000 2.977 163 G HA2 -0.128 3.832 3.960 0.000 0.000 0.211 163 G HA3 -0.128 3.832 3.960 0.000 0.000 0.211 163 G C -0.396 174.461 174.900 -0.072 0.000 0.994 163 G CA -0.034 45.092 45.100 0.044 0.000 0.795 163 G HN 0.745 nan 8.290 nan 0.000 0.518 164 S N 0.311 115.910 115.700 -0.167 0.000 2.482 164 S HA 0.654 5.124 4.470 0.000 0.000 0.303 164 S C 0.987 175.579 174.600 -0.013 0.000 1.091 164 S CA -0.283 57.787 58.200 -0.217 0.000 1.057 164 S CB 1.070 63.912 63.200 -0.597 0.000 1.031 164 S HN 0.976 nan 8.310 nan 0.000 0.485 165 I N 2.026 122.598 120.570 0.003 0.000 3.904 165 I HA 0.578 4.748 4.170 0.000 0.000 0.333 165 I C 0.916 177.068 176.117 0.058 0.000 1.361 165 I CA -0.232 61.099 61.300 0.051 0.000 1.116 165 I CB -0.743 37.273 38.000 0.027 0.000 1.028 165 I HN 0.858 nan 8.210 nan 0.000 0.398 171 L N -0.288 120.854 121.223 -0.135 0.000 1.997 171 L HA -0.216 4.124 4.340 0.000 0.000 0.216 171 L C 2.339 179.119 176.870 -0.150 0.000 1.074 171 L CA 1.493 56.239 54.840 -0.158 0.000 0.763 171 L CB -0.463 41.481 42.059 -0.191 0.000 0.890 171 L HN 0.098 nan 8.230 nan 0.000 0.434 172 V N -0.430 119.405 119.914 -0.132 0.000 2.307 172 V HA -0.132 3.989 4.120 0.000 0.000 0.245 172 V C -0.224 175.924 176.094 0.089 0.000 1.045 172 V CA 1.885 64.155 62.300 -0.050 0.000 1.024 172 V CB -1.424 30.382 31.823 -0.028 0.000 0.651 172 V HN 0.318 nan 8.190 nan 0.000 0.449 173 P HA -0.122 nan 4.420 nan 0.000 0.215 173 P C 1.784 179.169 177.300 0.141 0.000 1.153 173 P CA 1.410 64.552 63.100 0.070 0.000 0.853 173 P CB -0.044 31.592 31.700 -0.107 0.000 0.788 174 L N -0.725 120.518 121.223 0.034 0.000 2.478 174 L HA -0.051 4.289 4.340 0.000 0.000 0.223 174 L C 2.407 179.264 176.870 -0.022 0.000 1.140 174 L CA 1.149 55.997 54.840 0.012 0.000 0.842 174 L CB -0.849 41.194 42.059 -0.026 0.000 0.953 174 L HN 0.087 nan 8.230 nan 0.000 0.452 175 S N -1.043 114.640 115.700 -0.029 0.000 2.406 175 S HA -0.178 4.292 4.470 0.000 0.000 0.228 175 S C 1.909 176.441 174.600 -0.113 0.000 1.020 175 S CA 0.704 58.820 58.200 -0.140 0.000 0.965 175 S CB -0.503 62.564 63.200 -0.222 0.000 0.798 175 S HN 0.432 nan 8.310 nan 0.000 0.488 176 Y N 1.430 121.774 120.300 0.074 0.000 2.314 176 Y HA 0.179 4.729 4.550 0.000 0.000 0.293 176 Y C 2.247 178.169 175.900 0.037 0.000 1.129 176 Y CA 0.954 59.179 58.100 0.209 0.000 1.201 176 Y CB -0.350 38.267 38.460 0.262 0.000 0.999 176 Y HN 0.251 nan 8.280 nan 0.000 0.541 177 I N -0.750 119.888 120.570 0.113 0.000 2.202 177 I HA -0.288 3.882 4.170 0.000 0.000 0.242 177 I C 2.171 178.188 176.117 -0.167 0.000 1.091 177 I CA 1.633 62.926 61.300 -0.012 0.000 1.368 177 I CB -0.589 37.403 38.000 -0.015 0.000 1.058 177 I HN 0.176 nan 8.210 nan 0.000 0.410 178 T N 0.457 114.884 114.554 -0.211 0.000 2.674 178 T HA -0.137 4.213 4.350 0.000 0.000 0.265 178 T C 1.993 176.412 174.700 -0.469 0.000 1.039 178 T CA 1.504 63.424 62.100 -0.300 0.000 1.150 178 T CB -0.982 67.729 68.868 -0.262 0.000 0.864 178 T HN 0.559 nan 8.240 nan 0.000 0.427 179 G N 1.349 109.692 108.800 -0.761 0.000 2.476 179 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 179 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 179 G C 1.897 176.241 174.900 -0.927 0.000 1.164 179 G CA 1.319 45.548 45.100 -1.451 0.000 0.768 179 G HN 0.521 nan 8.290 nan 0.000 0.560 180 S N 0.536 115.931 115.700 -0.508 0.000 2.355 180 S HA -0.007 4.463 4.470 0.000 0.000 0.222 180 S C 2.310 176.860 174.600 -0.084 0.000 1.031 180 S CA 0.946 59.084 58.200 -0.103 0.000 0.993 180 S CB -0.314 62.964 63.200 0.129 0.000 0.859 180 S HN 0.300 nan 8.310 nan 0.000 0.453 181 L N 1.429 122.465 121.223 -0.312 0.000 2.127 181 L HA -0.061 4.279 4.340 0.000 0.000 0.211 181 L C 2.187 178.883 176.870 -0.291 0.000 1.089 181 L CA 1.153 55.666 54.840 -0.545 0.000 0.757 181 L CB -0.543 41.163 42.059 -0.588 0.000 0.899 181 L HN 0.457 nan 8.230 nan 0.000 0.434 182 I N -3.788 116.635 120.570 -0.245 0.000 3.860 182 I HA 0.340 4.510 4.170 0.000 0.000 0.319 182 I C 1.196 177.245 176.117 -0.113 0.000 1.279 182 I CA 0.486 61.684 61.300 -0.170 0.000 1.220 182 I CB -0.115 37.773 38.000 -0.186 0.000 1.027 182 I HN 0.200 nan 8.210 nan 0.000 0.428 183 G N 2.713 111.447 108.800 -0.111 0.000 2.246 183 G HA2 -0.304 3.656 3.960 0.000 0.000 0.273 183 G HA3 -0.304 3.656 3.960 0.000 0.000 0.273 183 G C 0.517 175.391 174.900 -0.043 0.000 1.055 183 G CA 0.562 45.642 45.100 -0.034 0.000 0.851 183 G HN 0.481 nan 8.290 nan 0.000 0.500 184 L N -0.361 120.766 121.223 -0.160 0.000 2.079 184 L HA 0.255 4.595 4.340 0.000 0.000 0.210 184 L C 0.976 177.898 176.870 0.088 0.000 1.081 184 L CA 2.720 57.496 54.840 -0.107 0.000 0.752 184 L CB 0.036 41.886 42.059 -0.348 0.000 0.896 184 L HN 0.543 nan 8.230 nan 0.000 0.433 185 D N -3.933 116.576 120.400 0.182 0.000 2.654 185 D HA 0.272 4.912 4.640 0.000 0.000 0.231 185 D C -2.358 174.103 176.300 0.268 0.000 1.239 185 D CA -1.109 53.063 54.000 0.285 0.000 0.790 185 D CB 1.660 42.660 40.800 0.332 0.000 1.480 185 D HN -0.325 nan 8.370 nan 0.000 0.442 186 P HA -0.027 nan 4.420 nan 0.000 0.230 186 P C 0.799 178.179 177.300 0.133 0.000 1.158 186 P CA 0.712 63.905 63.100 0.155 0.000 0.769 186 P CB 0.094 31.867 31.700 0.122 0.000 0.807 187 S N -1.936 113.819 115.700 0.092 0.000 2.489 187 S HA -0.002 4.468 4.470 0.000 0.000 0.228 187 S C 0.564 175.104 174.600 -0.100 0.000 0.995 187 S CA 0.011 58.193 58.200 -0.029 0.000 0.934 187 S CB -1.127 62.010 63.200 -0.104 0.000 0.771 187 S HN -0.038 nan 8.310 nan 0.000 0.522 188 F N 3.258 123.239 119.950 0.051 0.000 2.471 188 F HA 0.422 4.950 4.527 0.000 0.000 0.365 188 F C 0.787 176.673 175.800 0.143 0.000 1.095 188 F CA -0.405 57.649 58.000 0.089 0.000 1.174 188 F CB 0.615 39.611 39.000 -0.006 0.000 1.105 188 F HN -0.157 nan 8.300 nan 0.000 0.535 189 K N 3.645 124.255 120.400 0.349 0.000 2.164 189 K HA 0.676 4.996 4.320 0.000 0.000 0.258 189 K C -0.413 176.426 176.600 0.399 0.000 0.951 189 K CA -0.697 55.789 56.287 0.331 0.000 0.844 189 K CB 2.218 34.881 32.500 0.271 0.000 1.099 189 K HN 0.443 nan 8.250 nan 0.000 0.435 190 V N -2.021 118.062 119.914 0.283 0.000 3.113 190 V HA 0.505 4.625 4.120 0.000 0.000 0.316 190 V C -0.680 175.422 176.094 0.013 0.000 1.125 190 V CA -1.030 61.311 62.300 0.068 0.000 1.026 190 V CB 2.045 33.861 31.823 -0.012 0.000 1.080 190 V HN 0.697 nan 8.190 nan 0.000 0.444 191 D N 0.935 121.163 120.400 -0.287 0.000 2.280 191 D HA 0.401 5.041 4.640 0.000 0.000 0.236 191 D C -1.182 175.091 176.300 -0.044 0.000 1.082 191 D CA -0.216 53.703 54.000 -0.135 0.000 0.834 191 D CB 1.125 41.754 40.800 -0.285 0.000 1.100 191 D HN 0.628 nan 8.370 nan 0.000 0.486 192 F N 4.734 124.628 119.950 -0.094 0.000 2.359 192 F HA 0.252 4.779 4.527 0.000 0.000 0.369 192 F C 0.171 175.925 175.800 -0.076 0.000 1.084 192 F CA -1.013 56.919 58.000 -0.112 0.000 1.096 192 F CB 0.338 39.276 39.000 -0.104 0.000 1.335 192 F HN 0.361 nan 8.300 nan 0.000 0.457 193 N N 4.112 122.972 118.700 0.266 0.000 2.716 193 N HA -0.230 4.510 4.740 0.000 0.000 0.250 193 N C 0.822 176.371 175.510 0.065 0.000 1.033 193 N CA 1.425 54.556 53.050 0.135 0.000 0.727 193 N CB -1.030 37.542 38.487 0.142 0.000 0.950 193 N HN 1.125 nan 8.380 nan 0.000 0.541 194 G N -1.291 107.545 108.800 0.059 0.000 2.238 194 G HA2 -0.298 3.662 3.960 0.000 0.000 0.217 194 G HA3 -0.298 3.662 3.960 0.000 0.000 0.217 194 G C 0.016 174.951 174.900 0.058 0.000 0.996 194 G CA 0.397 45.524 45.100 0.045 0.000 0.632 194 G HN 0.539 nan 8.290 nan 0.000 0.503 195 K N 1.405 121.844 120.400 0.066 0.000 2.185 195 K HA 0.558 4.878 4.320 0.000 0.000 0.269 195 K C 0.446 177.120 176.600 0.123 0.000 0.987 195 K CA -0.544 55.782 56.287 0.065 0.000 0.865 195 K CB 1.106 33.613 32.500 0.011 0.000 1.090 195 K HN 0.327 nan 8.250 nan 0.000 0.450 199 A N -0.160 122.767 122.820 0.177 0.000 1.873 199 A HA 0.133 4.453 4.320 0.000 0.000 0.215 199 A C -0.679 176.982 177.584 0.129 0.000 1.186 199 A CA 1.893 54.026 52.037 0.159 0.000 0.616 199 A CB -1.633 17.470 19.000 0.171 0.000 0.823 199 A HN 0.592 nan 8.150 nan 0.000 0.442 200 P HA -0.094 nan 4.420 nan 0.000 0.216 200 P C 1.389 178.745 177.300 0.095 0.000 1.150 200 P CA 1.784 64.943 63.100 0.099 0.000 0.837 200 P CB -0.334 31.424 31.700 0.097 0.000 0.786 201 T N -0.463 114.151 114.554 0.100 0.000 2.746 201 T HA -0.131 4.219 4.350 0.000 0.000 0.267 201 T C 1.933 176.705 174.700 0.121 0.000 1.039 201 T CA 1.676 63.834 62.100 0.096 0.000 1.142 201 T CB -0.927 67.995 68.868 0.091 0.000 0.866 201 T HN 0.067 nan 8.240 nan 0.000 0.444 202 A N 1.441 124.342 122.820 0.136 0.000 1.902 202 A HA 0.043 4.363 4.320 0.000 0.000 0.217 202 A C 2.280 179.921 177.584 0.094 0.000 1.181 202 A CA 1.121 53.251 52.037 0.155 0.000 0.623 202 A CB -0.796 18.199 19.000 -0.009 0.000 0.818 202 A HN 0.492 nan 8.150 nan 0.000 0.443 203 L N -1.289 119.983 121.223 0.082 0.000 2.201 203 L HA -0.122 4.218 4.340 0.000 0.000 0.212 203 L C 2.759 179.681 176.870 0.088 0.000 1.105 203 L CA 0.933 55.829 54.840 0.093 0.000 0.775 203 L CB -0.548 41.577 42.059 0.111 0.000 0.913 203 L HN 0.359 nan 8.230 nan 0.000 0.440 204 R N 0.060 120.612 120.500 0.087 0.000 2.081 204 R HA -0.161 4.179 4.340 0.000 0.000 0.235 204 R C 2.349 178.695 176.300 0.076 0.000 1.131 204 R CA 1.391 57.534 56.100 0.072 0.000 0.960 204 R CB -0.207 30.130 30.300 0.061 0.000 0.856 204 R HN 0.512 nan 8.270 nan 0.000 0.436 205 Q N 0.299 120.163 119.800 0.107 0.000 2.119 205 Q HA -0.094 4.246 4.340 0.000 0.000 0.201 205 Q C 2.000 178.082 176.000 0.137 0.000 0.972 205 Q CA 1.035 56.908 55.803 0.116 0.000 0.847 205 Q CB 0.006 28.838 28.738 0.156 0.000 0.903 205 Q HN 0.360 nan 8.270 nan 0.000 0.433 206 L N 0.313 121.625 121.223 0.149 0.000 2.610 206 L HA -0.003 4.338 4.340 0.000 0.000 0.232 206 L C -0.228 176.686 176.870 0.073 0.000 1.149 206 L CA 0.037 54.939 54.840 0.104 0.000 0.872 206 L CB -0.398 41.686 42.059 0.041 0.000 0.992 206 L HN 0.316 nan 8.230 nan 0.000 0.447 207 N N 0.220 118.961 118.700 0.068 0.000 2.758 207 N HA -0.167 4.573 4.740 0.000 0.000 0.248 207 N C -0.875 174.664 175.510 0.049 0.000 1.076 207 N CA 0.306 53.387 53.050 0.051 0.000 0.696 207 N CB -1.029 37.483 38.487 0.041 0.000 0.979 207 N HN 0.213 nan 8.380 nan 0.000 0.550 208 L N 0.271 121.529 121.223 0.058 0.000 2.329 208 L HA 0.516 4.857 4.340 0.000 0.000 0.279 208 L C 0.481 177.380 176.870 0.048 0.000 1.014 208 L CA -0.889 53.984 54.840 0.056 0.000 0.814 208 L CB 1.746 43.854 42.059 0.082 0.000 1.257 208 L HN 0.176 nan 8.230 nan 0.000 0.424 209 S N 2.103 117.823 115.700 0.033 0.000 2.545 209 S HA 0.523 4.993 4.470 0.000 0.000 0.275 209 S C -2.437 172.174 174.600 0.019 0.000 1.299 209 S CA -1.340 56.876 58.200 0.026 0.000 1.048 209 S CB 0.711 63.922 63.200 0.017 0.000 0.938 209 S HN 0.312 nan 8.310 nan 0.000 0.496 210 P HA 0.227 nan 4.420 nan 0.000 0.268 210 P C -0.815 176.477 177.300 -0.012 0.000 1.208 210 P CA -0.200 62.903 63.100 0.005 0.000 0.777 210 P CB 0.301 32.009 31.700 0.015 0.000 0.875 211 L N 0.931 122.132 121.223 -0.036 0.000 2.322 211 L HA 0.492 4.832 4.340 0.000 0.000 0.269 211 L C 0.386 177.230 176.870 -0.043 0.000 1.012 211 L CA -0.484 54.329 54.840 -0.044 0.000 0.815 211 L CB 1.742 43.762 42.059 -0.066 0.000 1.295 211 L HN 0.233 nan 8.230 nan 0.000 0.438 212 T N 2.533 117.068 114.554 -0.032 0.000 2.779 212 T HA 0.490 4.840 4.350 0.000 0.000 0.280 212 T C -0.177 174.502 174.700 -0.035 0.000 0.987 212 T CA -0.499 61.587 62.100 -0.024 0.000 0.966 212 T CB 0.846 69.711 68.868 -0.005 0.000 0.933 212 T HN 0.234 nan 8.240 nan 0.000 0.442 213 L N 4.323 125.522 121.223 -0.040 0.000 2.410 213 L HA 0.325 4.665 4.340 0.000 0.000 0.273 213 L C 0.217 177.073 176.870 -0.023 0.000 1.144 213 L CA -0.356 54.458 54.840 -0.044 0.000 0.863 213 L CB 0.081 42.109 42.059 -0.052 0.000 1.140 213 L HN 0.406 nan 8.230 nan 0.000 0.463 214 L N 4.690 125.897 121.223 -0.027 0.000 2.454 214 L HA 0.426 4.766 4.340 0.000 0.000 0.256 214 L C -2.018 174.845 176.870 -0.011 0.000 1.136 214 L CA -2.039 52.790 54.840 -0.018 0.000 0.804 214 L CB 0.171 42.216 42.059 -0.024 0.000 1.181 214 L HN 0.342 nan 8.230 nan 0.000 0.469 215 P HA -0.094 nan 4.420 nan 0.000 0.261 215 P C 0.009 177.312 177.300 0.006 0.000 1.173 215 P CA 0.583 63.683 63.100 -0.001 0.000 0.760 215 P CB 0.387 32.080 31.700 -0.011 0.000 0.783 216 K N 2.002 122.416 120.400 0.023 0.000 3.610 216 K HA -0.283 4.037 4.320 0.000 0.000 0.283 216 K C 0.949 177.563 176.600 0.022 0.000 1.210 216 K CA 1.765 58.076 56.287 0.039 0.000 1.026 216 K CB -1.627 30.901 32.500 0.046 0.000 1.295 216 K HN 0.444 nan 8.250 nan 0.000 0.468 217 E N -0.440 119.755 120.200 -0.008 0.000 2.107 217 E HA -0.055 4.295 4.350 0.000 0.000 0.191 217 E C 1.936 178.502 176.600 -0.058 0.000 0.982 217 E CA 1.000 57.369 56.400 -0.051 0.000 0.809 217 E CB -0.162 29.496 29.700 -0.069 0.000 0.756 217 E HN 0.570 nan 8.360 nan 0.000 0.459 218 G N 1.675 110.450 108.800 -0.041 0.000 2.421 218 G HA2 -0.240 3.720 3.960 0.000 0.000 0.216 218 G HA3 -0.240 3.720 3.960 0.000 0.000 0.216 218 G C 1.565 176.426 174.900 -0.064 0.000 1.171 218 G CA 0.201 45.258 45.100 -0.071 0.000 0.775 218 G HN 0.122 nan 8.290 nan 0.000 0.543 219 L N 0.687 121.907 121.223 -0.006 0.000 2.012 219 L HA 0.069 4.409 4.340 0.000 0.000 0.210 219 L C 2.428 179.328 176.870 0.051 0.000 1.073 219 L CA 0.828 55.681 54.840 0.022 0.000 0.748 219 L CB -0.631 41.505 42.059 0.128 0.000 0.891 219 L HN 0.342 nan 8.230 nan 0.000 0.431 224 G N -1.032 107.820 108.800 0.087 0.000 2.870 224 G HA2 0.374 4.334 3.960 0.000 0.000 0.299 224 G HA3 0.374 4.334 3.960 0.000 0.000 0.299 224 G C 0.263 175.216 174.900 0.088 0.000 1.324 224 G CA -0.162 45.002 45.100 0.107 0.000 0.808 224 G HN 0.083 nan 8.290 nan 0.000 0.535 225 T N -2.488 112.111 114.554 0.076 0.000 3.174 225 T HA 0.269 4.619 4.350 0.000 0.000 0.269 225 T C 1.627 176.365 174.700 0.064 0.000 1.017 225 T CA 0.833 62.981 62.100 0.081 0.000 0.899 225 T CB 0.483 69.400 68.868 0.081 0.000 1.077 225 T HN 0.217 nan 8.240 nan 0.000 0.552 226 S N 1.192 116.914 115.700 0.036 0.000 2.368 226 S HA 0.041 4.511 4.470 0.000 0.000 0.224 226 S C 1.262 175.892 174.600 0.049 0.000 1.029 226 S CA 0.445 58.655 58.200 0.017 0.000 0.988 226 S CB -0.323 62.861 63.200 -0.027 0.000 0.838 226 S HN 0.544 nan 8.310 nan 0.000 0.462 230 G N 1.933 110.748 108.800 0.025 0.000 2.453 230 G HA2 -0.088 3.873 3.960 0.000 0.000 0.215 230 G HA3 -0.088 3.873 3.960 0.000 0.000 0.215 230 G C 1.402 176.301 174.900 -0.001 0.000 1.201 230 G CA 1.213 46.318 45.100 0.008 0.000 0.784 230 G HN 0.518 nan 8.290 nan 0.000 0.545 231 I N 1.682 122.246 120.570 -0.009 0.000 2.151 231 I HA -0.245 3.925 4.170 0.000 0.000 0.243 231 I C 3.311 179.419 176.117 -0.015 0.000 1.080 231 I CA 1.306 62.584 61.300 -0.037 0.000 1.339 231 I CB -0.271 37.666 38.000 -0.105 0.000 1.039 231 I HN 0.244 nan 8.210 nan 0.000 0.409 232 A N 0.542 123.361 122.820 -0.003 0.000 1.908 232 A HA -0.185 4.135 4.320 0.000 0.000 0.218 232 A C 2.537 180.143 177.584 0.036 0.000 1.181 232 A CA 1.957 54.004 52.037 0.017 0.000 0.627 232 A CB -0.963 18.052 19.000 0.025 0.000 0.818 232 A HN 0.453 nan 8.150 nan 0.000 0.445 233 A N 0.164 123.002 122.820 0.030 0.000 1.902 233 A HA -0.204 4.116 4.320 0.000 0.000 0.217 233 A C 1.921 179.544 177.584 0.065 0.000 1.181 233 A CA 1.834 53.895 52.037 0.040 0.000 0.623 233 A CB -0.606 18.403 19.000 0.015 0.000 0.818 233 A HN 0.541 nan 8.150 nan 0.000 0.443 234 N N -0.250 118.474 118.700 0.040 0.000 2.244 234 N HA -0.115 4.626 4.740 0.000 0.000 0.183 234 N C 1.686 177.269 175.510 0.122 0.000 1.016 234 N CA 1.453 54.538 53.050 0.058 0.000 0.866 234 N CB -0.768 37.726 38.487 0.011 0.000 0.980 234 N HN 0.541 nan 8.380 nan 0.000 0.430 235 C N -0.026 119.325 119.300 0.085 0.000 2.462 235 C HA 0.001 4.461 4.460 0.000 0.000 0.278 235 C C 2.823 177.883 174.990 0.116 0.000 1.253 235 C CA 0.214 59.286 59.018 0.090 0.000 1.713 235 C CB -0.922 26.851 27.740 0.055 0.000 2.049 235 C HN 0.198 nan 8.230 nan 0.000 0.477 236 V N 0.063 120.043 119.914 0.110 0.000 2.250 236 V HA -0.314 3.806 4.120 0.000 0.000 0.250 236 V C 2.110 178.281 176.094 0.128 0.000 1.060 236 V CA 2.640 65.007 62.300 0.110 0.000 1.030 236 V CB -1.046 30.834 31.823 0.095 0.000 0.643 236 V HN 0.617 nan 8.190 nan 0.000 0.445 237 Y N 1.462 121.781 120.300 0.032 0.000 2.102 237 Y HA -0.319 4.231 4.550 0.000 0.000 0.280 237 Y C 2.348 178.274 175.900 0.044 0.000 1.178 237 Y CA 2.377 60.495 58.100 0.031 0.000 1.146 237 Y CB -0.381 38.092 38.460 0.022 0.000 0.968 237 Y HN 0.345 nan 8.280 nan 0.000 0.504 238 D N -1.324 119.170 120.400 0.157 0.000 2.183 238 D HA -0.112 4.528 4.640 0.000 0.000 0.203 238 D C 2.160 178.496 176.300 0.060 0.000 0.969 238 D CA 1.754 55.810 54.000 0.093 0.000 0.842 238 D CB -0.392 40.500 40.800 0.154 0.000 0.957 238 D HN 0.368 nan 8.370 nan 0.000 0.484 239 T N 0.627 115.237 114.554 0.093 0.000 2.812 239 T HA -0.116 4.235 4.350 0.000 0.000 0.264 239 T C 1.927 176.674 174.700 0.079 0.000 1.042 239 T CA 0.897 63.074 62.100 0.128 0.000 1.140 239 T CB -0.127 68.817 68.868 0.127 0.000 0.870 239 T HN 0.198 nan 8.240 nan 0.000 0.445 240 Q N 0.357 120.158 119.800 0.003 0.000 2.061 240 Q HA -0.057 4.283 4.340 0.000 0.000 0.204 240 Q C 2.335 178.307 176.000 -0.046 0.000 0.984 240 Q CA 1.394 57.173 55.803 -0.040 0.000 0.846 240 Q CB -0.409 28.276 28.738 -0.089 0.000 0.902 240 Q HN 0.509 nan 8.270 nan 0.000 0.421 241 I N 0.394 120.888 120.570 -0.126 0.000 2.179 241 I HA -0.309 3.861 4.170 0.000 0.000 0.242 241 I C 2.123 178.229 176.117 -0.017 0.000 1.088 241 I CA 1.127 62.362 61.300 -0.108 0.000 1.357 241 I CB -0.231 37.656 38.000 -0.188 0.000 1.051 241 I HN 0.201 nan 8.210 nan 0.000 0.409 242 L N -0.043 121.196 121.223 0.026 0.000 2.131 242 L HA -0.194 4.146 4.340 0.000 0.000 0.210 242 L C 2.582 179.529 176.870 0.129 0.000 1.092 242 L CA 1.432 56.299 54.840 0.045 0.000 0.759 242 L CB -0.844 41.281 42.059 0.110 0.000 0.903 242 L HN 0.255 nan 8.230 nan 0.000 0.435 243 T N -0.244 114.416 114.554 0.176 0.000 2.788 243 T HA -0.196 4.154 4.350 0.000 0.000 0.268 243 T C 2.005 176.816 174.700 0.184 0.000 1.044 243 T CA 1.331 63.551 62.100 0.201 0.000 1.139 243 T CB -0.256 68.710 68.868 0.164 0.000 0.867 243 T HN 0.463 nan 8.240 nan 0.000 0.454 244 A N 1.134 124.035 122.820 0.136 0.000 1.930 244 A HA 0.048 4.368 4.320 0.000 0.000 0.217 244 A C 2.261 179.882 177.584 0.063 0.000 1.175 244 A CA 0.972 53.084 52.037 0.124 0.000 0.627 244 A CB -0.693 18.362 19.000 0.091 0.000 0.815 244 A HN 0.543 nan 8.150 nan 0.000 0.443 245 I N 0.112 120.699 120.570 0.029 0.000 2.286 245 I HA -0.146 4.024 4.170 0.000 0.000 0.248 245 I C 1.910 178.015 176.117 -0.020 0.000 1.115 245 I CA 0.391 61.683 61.300 -0.013 0.000 1.392 245 I CB -0.684 37.286 38.000 -0.050 0.000 1.065 245 I HN 0.333 nan 8.210 nan 0.000 0.418 249 V N 2.004 121.879 119.914 -0.064 0.000 2.295 249 V HA -0.151 3.969 4.120 0.000 0.000 0.246 249 V C 2.421 178.464 176.094 -0.086 0.000 1.049 249 V CA 2.335 64.575 62.300 -0.100 0.000 1.024 249 V CB -0.750 30.962 31.823 -0.185 0.000 0.648 249 V HN 0.407 nan 8.190 nan 0.000 0.447 250 H N 0.160 119.220 119.070 -0.016 0.000 2.421 250 H HA -0.042 4.514 4.556 0.000 0.000 0.298 250 H C 2.349 177.667 175.328 -0.017 0.000 1.087 250 H CA 1.644 57.674 56.048 -0.031 0.000 1.330 250 H CB -0.388 29.348 29.762 -0.043 0.000 1.388 250 H HN 0.476 nan 8.280 nan 0.000 0.526 251 A N 0.873 123.738 122.820 0.075 0.000 1.930 251 A HA -0.063 4.257 4.320 0.000 0.000 0.217 251 A C 2.670 180.273 177.584 0.032 0.000 1.175 251 A CA 0.798 52.842 52.037 0.010 0.000 0.627 251 A CB -0.673 18.302 19.000 -0.041 0.000 0.815 251 A HN 0.257 nan 8.150 nan 0.000 0.443 252 L N -0.550 120.697 121.223 0.041 0.000 2.072 252 L HA -0.141 4.199 4.340 0.000 0.000 0.205 252 L C 2.024 178.942 176.870 0.079 0.000 1.079 252 L CA 1.206 56.081 54.840 0.058 0.000 0.752 252 L CB -0.596 41.508 42.059 0.076 0.000 0.906 252 L HN 0.256 nan 8.230 nan 0.000 0.436 253 D N 0.437 120.889 120.400 0.086 0.000 2.123 253 D HA -0.176 4.464 4.640 0.000 0.000 0.196 253 D C 2.253 178.622 176.300 0.114 0.000 0.992 253 D CA 1.394 55.457 54.000 0.105 0.000 0.833 253 D CB -0.141 40.723 40.800 0.106 0.000 0.954 253 D HN 0.289 nan 8.370 nan 0.000 0.455 254 I N 0.792 121.434 120.570 0.119 0.000 2.226 254 I HA -0.279 3.891 4.170 0.000 0.000 0.245 254 I C 2.502 178.683 176.117 0.107 0.000 1.100 254 I CA 1.135 62.514 61.300 0.132 0.000 1.374 254 I CB -0.128 37.970 38.000 0.163 0.000 1.057 254 I HN -0.024 nan 8.210 nan 0.000 0.413 255 Q N 0.221 120.070 119.800 0.082 0.000 2.079 255 Q HA -0.163 4.177 4.340 0.000 0.000 0.200 255 Q C 2.448 178.489 176.000 0.068 0.000 0.974 255 Q CA 1.678 57.518 55.803 0.062 0.000 0.840 255 Q CB -0.292 28.467 28.738 0.034 0.000 0.898 255 Q HN 0.591 nan 8.270 nan 0.000 0.430 256 A N 0.485 123.355 122.820 0.084 0.000 2.015 256 A HA -0.089 4.231 4.320 0.000 0.000 0.219 256 A C 1.759 179.403 177.584 0.101 0.000 1.163 256 A CA 0.932 53.028 52.037 0.098 0.000 0.646 256 A CB -0.292 18.783 19.000 0.125 0.000 0.806 256 A HN 0.290 nan 8.150 nan 0.000 0.448 257 L N -0.452 120.832 121.223 0.102 0.000 2.611 257 L HA 0.107 4.447 4.340 0.000 0.000 0.229 257 L C 0.822 177.747 176.870 0.091 0.000 1.137 257 L CA -0.030 54.872 54.840 0.104 0.000 0.901 257 L CB -0.583 41.544 42.059 0.114 0.000 1.098 257 L HN 0.587 nan 8.230 nan 0.000 0.456 258 N N 1.391 120.139 118.700 0.080 0.000 2.702 258 N HA -0.159 4.581 4.740 0.000 0.000 0.255 258 N C 0.594 176.151 175.510 0.078 0.000 0.983 258 N CA 0.132 53.224 53.050 0.069 0.000 0.768 258 N CB -0.216 38.304 38.487 0.054 0.000 0.918 258 N HN 0.482 nan 8.380 nan 0.000 0.540 259 G N -0.291 108.567 108.800 0.097 0.000 2.621 259 G HA2 0.336 4.296 3.960 0.000 0.000 0.271 259 G HA3 0.336 4.296 3.960 0.000 0.000 0.271 259 G C 0.000 174.964 174.900 0.106 0.000 1.236 259 G CA 0.230 45.393 45.100 0.105 0.000 0.958 259 G HN 0.263 nan 8.290 nan 0.000 0.512 260 T N -1.704 112.908 114.554 0.098 0.000 2.944 260 T HA 0.289 4.639 4.350 0.000 0.000 0.284 260 T C 1.174 175.961 174.700 0.144 0.000 1.010 260 T CA -0.375 61.779 62.100 0.091 0.000 1.025 260 T CB 1.029 69.927 68.868 0.049 0.000 1.079 260 T HN 0.550 nan 8.240 nan 0.000 0.516 261 N N 1.593 120.393 118.700 0.168 0.000 2.280 261 N HA 0.014 4.754 4.740 0.000 0.000 0.192 261 N C 1.315 176.933 175.510 0.179 0.000 1.109 261 N CA 0.174 53.407 53.050 0.304 0.000 0.855 261 N CB -0.276 38.375 38.487 0.273 0.000 0.974 261 N HN 0.743 nan 8.380 nan 0.000 0.482 262 Q N 0.466 120.293 119.800 0.044 0.000 2.364 262 Q HA 0.032 4.373 4.340 0.000 0.000 0.207 262 Q C 0.651 176.595 176.000 -0.093 0.000 0.970 262 Q CA 0.954 56.773 55.803 0.027 0.000 0.888 262 Q CB 0.006 28.759 28.738 0.023 0.000 0.951 262 Q HN 0.387 nan 8.270 nan 0.000 0.469 263 S N -0.019 115.436 115.700 -0.409 0.000 2.474 263 S HA -0.054 4.416 4.470 0.000 0.000 0.235 263 S C 0.635 175.011 174.600 -0.374 0.000 0.997 263 S CA 0.614 58.475 58.200 -0.565 0.000 0.949 263 S CB -0.045 62.604 63.200 -0.918 0.000 0.766 263 S HN 0.402 nan 8.310 nan 0.000 0.517 264 F N 0.269 120.363 119.950 0.240 0.000 2.695 264 F HA 0.282 4.809 4.527 0.000 0.000 0.303 264 F C 1.100 177.052 175.800 0.252 0.000 1.091 264 F CA -1.047 57.089 58.000 0.226 0.000 1.300 264 F CB -0.639 38.396 39.000 0.058 0.000 1.071 264 F HN 0.206 nan 8.300 nan 0.000 0.578 265 H N 5.032 124.243 119.070 0.235 0.000 3.125 265 H HA -0.014 4.542 4.556 0.000 0.000 0.310 265 H C -1.437 174.049 175.328 0.264 0.000 0.980 265 H CA -0.830 55.336 56.048 0.198 0.000 1.422 265 H CB 1.212 31.048 29.762 0.123 0.000 1.432 265 H HN -0.020 nan 8.280 nan 0.000 0.577 266 P HA -0.202 nan 4.420 nan 0.000 0.220 266 P C 1.475 178.923 177.300 0.247 0.000 1.144 266 P CA 0.979 64.144 63.100 0.108 0.000 0.800 266 P CB -0.165 31.515 31.700 -0.035 0.000 0.772 267 F N 0.672 120.835 119.950 0.356 0.000 2.128 267 F HA -0.103 4.424 4.527 0.000 0.000 0.295 267 F C 2.317 178.161 175.800 0.073 0.000 1.100 267 F CA 1.136 59.273 58.000 0.229 0.000 1.260 267 F CB -0.740 38.394 39.000 0.223 0.000 1.009 267 F HN -0.307 nan 8.300 nan 0.000 0.476 268 I N 0.021 120.671 120.570 0.133 0.000 2.113 268 I HA -0.425 3.745 4.170 0.000 0.000 0.242 268 I C 2.461 178.375 176.117 -0.338 0.000 1.064 268 I CA 1.821 62.998 61.300 -0.205 0.000 1.320 268 I CB -0.753 36.991 38.000 -0.426 0.000 1.028 268 I HN 0.262 nan 8.210 nan 0.000 0.406 269 H N 0.285 119.368 119.070 0.022 0.000 2.403 269 H HA 0.009 4.565 4.556 0.000 0.000 0.298 269 H C 1.941 177.253 175.328 -0.027 0.000 1.059 269 H CA 0.950 57.007 56.048 0.016 0.000 1.363 269 H CB -0.459 29.341 29.762 0.062 0.000 1.410 269 H HN 0.382 nan 8.280 nan 0.000 0.528 270 N N 0.978 119.696 118.700 0.030 0.000 2.272 270 N HA -0.132 4.608 4.740 0.000 0.000 0.185 270 N C 2.012 177.441 175.510 -0.134 0.000 1.014 270 N CA 1.346 54.367 53.050 -0.049 0.000 0.870 270 N CB -0.277 38.167 38.487 -0.070 0.000 0.975 270 N HN 0.401 nan 8.380 nan 0.000 0.433 271 S N -0.663 114.904 115.700 -0.223 0.000 2.496 271 S HA 0.027 4.497 4.470 0.000 0.000 0.224 271 S C 0.917 175.436 174.600 -0.135 0.000 0.996 271 S CA 0.291 58.350 58.200 -0.234 0.000 0.927 271 S CB 0.152 63.131 63.200 -0.369 0.000 0.774 271 S HN 0.166 nan 8.310 nan 0.000 0.524 272 K N 2.314 122.666 120.400 -0.081 0.000 2.762 272 K HA 0.385 4.705 4.320 0.000 0.000 0.180 272 K C -2.981 173.615 176.600 -0.007 0.000 1.067 272 K CA -1.944 54.328 56.287 -0.026 0.000 0.973 272 K CB 1.226 33.757 32.500 0.052 0.000 1.290 272 K HN 0.081 nan 8.250 nan 0.000 0.604 273 P HA 0.072 nan 4.420 nan 0.000 0.214 273 P C -0.878 176.357 177.300 -0.109 0.000 1.807 273 P CA -0.298 62.761 63.100 -0.069 0.000 0.921 273 P CB -0.212 31.444 31.700 -0.073 0.000 1.835 274 H N 1.170 120.259 119.070 0.032 0.000 2.848 274 H HA 0.036 4.592 4.556 0.000 0.000 0.341 274 H C -1.373 173.978 175.328 0.038 0.000 1.060 274 H CA -1.012 55.051 56.048 0.025 0.000 1.444 274 H CB 0.298 30.072 29.762 0.020 0.000 1.446 274 H HN 0.105 nan 8.280 nan 0.000 0.583 275 P HA -0.160 nan 4.420 nan 0.000 0.215 275 P C 1.714 179.088 177.300 0.122 0.000 1.157 275 P CA 1.630 64.787 63.100 0.095 0.000 0.874 275 P CB -0.024 31.702 31.700 0.044 0.000 0.790 276 G N -0.210 108.642 108.800 0.087 0.000 2.440 276 G HA2 -0.323 3.637 3.960 0.000 0.000 0.218 276 G HA3 -0.323 3.637 3.960 0.000 0.000 0.218 276 G C 1.708 176.711 174.900 0.172 0.000 1.154 276 G CA 0.920 46.070 45.100 0.082 0.000 0.767 276 G HN 0.344 nan 8.290 nan 0.000 0.552 277 Q N -0.312 119.576 119.800 0.147 0.000 2.079 277 Q HA 0.032 4.372 4.340 0.000 0.000 0.200 277 Q C 2.572 178.620 176.000 0.081 0.000 0.974 277 Q CA 0.807 56.687 55.803 0.129 0.000 0.840 277 Q CB -0.202 28.648 28.738 0.186 0.000 0.898 277 Q HN 0.501 nan 8.270 nan 0.000 0.430 278 L N -0.572 120.729 121.223 0.129 0.000 2.046 278 L HA -0.183 4.157 4.340 0.000 0.000 0.208 278 L C 2.225 179.147 176.870 0.086 0.000 1.077 278 L CA 1.514 56.410 54.840 0.092 0.000 0.747 278 L CB -0.542 41.585 42.059 0.112 0.000 0.896 278 L HN 0.447 nan 8.230 nan 0.000 0.432 279 W N 0.623 121.906 121.300 -0.029 0.000 2.354 279 W HA -0.255 4.405 4.660 0.000 0.000 0.315 279 W C 2.561 179.048 176.519 -0.054 0.000 1.206 279 W CA 2.003 59.327 57.345 -0.034 0.000 1.290 279 W CB -0.222 29.225 29.460 -0.021 0.000 1.152 279 W HN 0.110 nan 8.180 nan 0.000 0.489 280 A N 0.740 123.669 122.820 0.182 0.000 1.908 280 A HA -0.129 4.191 4.320 0.000 0.000 0.218 280 A C 2.078 179.537 177.584 -0.209 0.000 1.181 280 A CA 2.790 54.806 52.037 -0.035 0.000 0.627 280 A CB -1.609 17.475 19.000 0.140 0.000 0.818 280 A HN 0.465 nan 8.150 nan 0.000 0.445 281 A N -0.143 122.551 122.820 -0.210 0.000 1.858 281 A HA -0.223 4.097 4.320 0.000 0.000 0.216 281 A C 1.878 179.350 177.584 -0.188 0.000 1.190 281 A CA 2.251 54.141 52.037 -0.245 0.000 0.617 281 A CB -0.809 17.780 19.000 -0.685 0.000 0.827 281 A HN 0.573 nan 8.150 nan 0.000 0.443 282 D N -1.030 119.247 120.400 -0.205 0.000 2.144 282 D HA -0.078 4.562 4.640 0.000 0.000 0.200 282 D C 1.284 177.406 176.300 -0.296 0.000 0.978 282 D CA 0.588 54.472 54.000 -0.193 0.000 0.833 282 D CB -0.057 40.655 40.800 -0.147 0.000 0.961 282 D HN 0.387 nan 8.370 nan 0.000 0.470 286 S N 2.007 117.618 115.700 -0.148 0.000 2.368 286 S HA -0.024 4.446 4.470 0.000 0.000 0.225 286 S C 1.973 176.502 174.600 -0.119 0.000 1.030 286 S CA 1.306 59.432 58.200 -0.123 0.000 0.999 286 S CB -0.230 62.888 63.200 -0.136 0.000 0.844 286 S HN 0.318 nan 8.310 nan 0.000 0.459 287 L N 0.814 121.942 121.223 -0.157 0.000 2.083 287 L HA -0.014 4.326 4.340 0.000 0.000 0.209 287 L C 1.875 178.684 176.870 -0.101 0.000 1.083 287 L CA 1.050 55.812 54.840 -0.131 0.000 0.752 287 L CB -0.364 41.599 42.059 -0.159 0.000 0.899 287 L HN 0.293 nan 8.230 nan 0.000 0.433 288 L N -0.664 120.492 121.223 -0.112 0.000 2.592 288 L HA 0.196 4.536 4.340 0.000 0.000 0.227 288 L C 1.161 178.011 176.870 -0.033 0.000 1.127 288 L CA -0.572 54.230 54.840 -0.063 0.000 0.884 288 L CB -0.287 41.741 42.059 -0.052 0.000 1.065 288 L HN 0.075 nan 8.230 nan 0.000 0.457 289 A N 0.905 123.700 122.820 -0.042 0.000 2.522 289 A HA 0.098 4.418 4.320 0.000 0.000 0.256 289 A C 0.829 178.401 177.584 -0.019 0.000 1.086 289 A CA 0.126 52.148 52.037 -0.025 0.000 0.763 289 A CB -0.139 18.841 19.000 -0.033 0.000 1.024 289 A HN 0.593 nan 8.150 nan 0.000 0.502 290 N N -0.002 118.693 118.700 -0.009 0.000 2.925 290 N HA -0.155 4.585 4.740 0.000 0.000 0.244 290 N C 0.354 175.857 175.510 -0.011 0.000 1.000 290 N CA 1.299 54.344 53.050 -0.009 0.000 0.895 290 N CB -1.515 36.964 38.487 -0.012 0.000 1.119 290 N HN 0.864 nan 8.380 nan 0.000 0.569 291 S N 0.155 115.849 115.700 -0.010 0.000 2.573 291 S HA 0.118 4.588 4.470 0.000 0.000 0.277 291 S C 1.205 175.802 174.600 -0.005 0.000 1.346 291 S CA 0.333 58.527 58.200 -0.011 0.000 1.034 291 S CB 0.715 63.911 63.200 -0.006 0.000 0.879 291 S HN 0.152 nan 8.310 nan 0.000 0.528 292 Q N 2.925 122.718 119.800 -0.011 0.000 2.189 292 Q HA 0.276 4.616 4.340 0.000 0.000 0.223 292 Q C 0.652 176.647 176.000 -0.008 0.000 0.828 292 Q CA 0.091 55.888 55.803 -0.009 0.000 0.967 292 Q CB 0.332 29.061 28.738 -0.016 0.000 1.139 292 Q HN 0.685 nan 8.270 nan 0.000 0.497 293 L N 0.204 121.425 121.223 -0.004 0.000 2.728 293 L HA 0.291 4.631 4.340 0.000 0.000 0.238 293 L C 0.349 177.234 176.870 0.025 0.000 1.143 293 L CA -0.068 54.774 54.840 0.004 0.000 0.937 293 L CB 1.163 43.221 42.059 -0.001 0.000 1.225 293 L HN -0.090 nan 8.230 nan 0.000 0.507 294 V N 0.454 120.386 119.914 0.030 0.000 2.881 294 V HA 0.432 4.552 4.120 0.000 0.000 0.316 294 V C -0.151 175.971 176.094 0.046 0.000 1.070 294 V CA -0.694 61.637 62.300 0.052 0.000 0.976 294 V CB 2.186 34.049 31.823 0.067 0.000 1.038 294 V HN 0.230 nan 8.190 nan 0.000 0.446 295 R N 3.060 123.594 120.500 0.056 0.000 2.210 295 R HA 0.283 4.624 4.340 0.000 0.000 0.338 295 R C -0.976 175.356 176.300 0.053 0.000 1.062 295 R CA -0.530 55.597 56.100 0.046 0.000 0.902 295 R CB 0.381 30.708 30.300 0.045 0.000 1.050 295 R HN 0.584 nan 8.270 nan 0.000 0.461 296 D N 3.186 123.611 120.400 0.041 0.000 2.374 296 D HA 0.038 4.678 4.640 0.000 0.000 0.240 296 D C -0.188 176.136 176.300 0.040 0.000 1.229 296 D CA 0.210 54.238 54.000 0.046 0.000 0.895 296 D CB 0.586 41.405 40.800 0.032 0.000 1.046 296 D HN 0.518 nan 8.370 nan 0.000 0.498 297 E N 2.945 123.179 120.200 0.056 0.000 3.428 297 E HA 0.111 4.461 4.350 0.000 0.000 0.191 297 E C 1.090 177.729 176.600 0.065 0.000 0.980 297 E CA 0.001 56.425 56.400 0.041 0.000 1.305 297 E CB 0.543 30.264 29.700 0.034 0.000 1.105 297 E HN 0.413 nan 8.360 nan 0.000 0.455 298 L N 1.014 122.299 121.223 0.103 0.000 2.622 298 L HA -0.086 4.254 4.340 0.000 0.000 0.233 298 L C 1.331 178.285 176.870 0.140 0.000 1.156 298 L CA 0.743 55.704 54.840 0.202 0.000 0.866 298 L CB -0.351 41.835 42.059 0.212 0.000 0.980 298 L HN 0.226 nan 8.230 nan 0.000 0.448 299 D N -0.806 119.617 120.400 0.039 0.000 2.348 299 D HA 0.018 4.659 4.640 0.000 0.000 0.211 299 D C 1.482 177.730 176.300 -0.087 0.000 0.998 299 D CA 0.771 54.758 54.000 -0.022 0.000 0.873 299 D CB 0.057 40.840 40.800 -0.028 0.000 0.925 299 D HN 0.135 nan 8.370 nan 0.000 0.524 300 G N -0.113 108.640 108.800 -0.078 0.000 2.130 300 G HA2 -0.269 3.691 3.960 0.000 0.000 0.216 300 G HA3 -0.269 3.691 3.960 0.000 0.000 0.216 300 G C -0.117 174.663 174.900 -0.201 0.000 0.999 300 G CA -0.239 44.807 45.100 -0.089 0.000 0.686 300 G HN 0.309 nan 8.290 nan 0.000 0.515 301 K N 1.685 121.982 120.400 -0.171 0.000 2.322 301 K HA 0.560 4.880 4.320 0.000 0.000 0.283 301 K C 0.672 177.156 176.600 -0.193 0.000 1.042 301 K CA -0.103 56.030 56.287 -0.257 0.000 0.958 301 K CB 0.282 32.699 32.500 -0.138 0.000 0.984 301 K HN 0.679 nan 8.250 nan 0.000 0.473 302 H N 0.718 119.729 119.070 -0.099 0.000 2.803 302 H HA 0.219 4.775 4.556 0.000 0.000 0.219 302 H C -1.145 174.077 175.328 -0.177 0.000 1.379 302 H CA -0.747 55.233 56.048 -0.113 0.000 1.415 302 H CB -0.076 29.621 29.762 -0.109 0.000 1.943 302 H HN 0.400 nan 8.280 nan 0.000 0.569 303 D N 1.289 121.624 120.400 -0.108 0.000 2.363 303 D HA 0.043 4.683 4.640 0.000 0.000 0.240 303 D C 0.433 176.649 176.300 -0.139 0.000 1.236 303 D CA 0.209 54.113 54.000 -0.160 0.000 0.927 303 D CB 0.876 41.633 40.800 -0.072 0.000 1.150 303 D HN 0.351 nan 8.370 nan 0.000 0.458 304 Y N 0.020 120.317 120.300 -0.006 0.000 2.480 304 Y HA 0.151 4.701 4.550 0.000 0.000 0.338 304 Y C 1.539 177.404 175.900 -0.059 0.000 1.220 304 Y CA 0.229 58.306 58.100 -0.038 0.000 1.430 304 Y CB 0.670 39.086 38.460 -0.073 0.000 1.311 304 Y HN -0.083 nan 8.280 nan 0.000 0.575 308 E N 1.284 121.536 120.200 0.085 0.000 2.314 308 E HA 0.396 4.746 4.350 0.000 0.000 0.262 308 E C 0.029 176.684 176.600 0.092 0.000 1.093 308 E CA -0.888 55.564 56.400 0.087 0.000 0.908 308 E CB 1.689 31.432 29.700 0.072 0.000 1.091 308 E HN 0.256 nan 8.360 nan 0.000 0.425 309 L N 2.169 123.452 121.223 0.101 0.000 2.461 309 L HA 0.053 4.393 4.340 0.000 0.000 0.272 309 L C 1.577 178.499 176.870 0.087 0.000 1.197 309 L CA 0.148 55.048 54.840 0.100 0.000 0.836 309 L CB 0.179 42.296 42.059 0.097 0.000 1.105 309 L HN 0.675 nan 8.230 nan 0.000 0.477 310 I N 0.492 121.118 120.570 0.093 0.000 2.423 310 I HA -0.214 3.956 4.170 0.000 0.000 0.254 310 I C 0.845 176.980 176.117 0.031 0.000 1.151 310 I CA 1.403 62.742 61.300 0.065 0.000 1.421 310 I CB 0.078 38.112 38.000 0.057 0.000 1.079 310 I HN 0.653 nan 8.210 nan 0.000 0.431 311 Q N 0.409 120.234 119.800 0.040 0.000 2.399 311 Q HA 0.274 4.614 4.340 0.000 0.000 0.276 311 Q C -1.048 174.989 176.000 0.061 0.000 1.098 311 Q CA -1.050 54.773 55.803 0.032 0.000 0.827 311 Q CB 1.522 30.277 28.738 0.028 0.000 1.386 311 Q HN 0.035 nan 8.270 nan 0.000 0.443 312 D N 1.498 121.932 120.400 0.057 0.000 2.382 312 D HA 0.104 4.744 4.640 0.000 0.000 0.245 312 D C 0.025 176.388 176.300 0.106 0.000 1.120 312 D CA 0.106 54.153 54.000 0.078 0.000 0.890 312 D CB 0.728 41.569 40.800 0.067 0.000 1.201 312 D HN 0.185 nan 8.370 nan 0.000 0.433 313 R N 1.207 121.770 120.500 0.104 0.000 2.861 313 R HA -0.038 4.302 4.340 0.000 0.000 0.268 313 R C 0.957 177.374 176.300 0.196 0.000 1.027 313 R CA -0.284 55.876 56.100 0.100 0.000 1.163 313 R CB 0.167 30.474 30.300 0.011 0.000 1.060 313 R HN 0.477 nan 8.270 nan 0.000 0.483 314 Y N 0.699 120.985 120.300 -0.023 0.000 2.256 314 Y HA -0.242 4.308 4.550 0.000 0.000 0.288 314 Y C 2.679 178.555 175.900 -0.040 0.000 1.155 314 Y CA 1.492 59.572 58.100 -0.034 0.000 1.203 314 Y CB -0.922 37.510 38.460 -0.047 0.000 0.980 314 Y HN 0.678 nan 8.280 nan 0.000 0.530 315 S N -0.384 115.400 115.700 0.140 0.000 2.402 315 S HA -0.197 4.273 4.470 0.000 0.000 0.233 315 S C 1.938 176.661 174.600 0.205 0.000 1.030 315 S CA 1.545 59.836 58.200 0.151 0.000 1.003 315 S CB -0.877 62.421 63.200 0.162 0.000 0.813 315 S HN 0.467 nan 8.310 nan 0.000 0.477 316 L N 0.141 121.456 121.223 0.153 0.000 2.189 316 L HA 0.239 4.579 4.340 0.000 0.000 0.199 316 L C 3.073 180.016 176.870 0.122 0.000 1.074 316 L CA 1.019 55.961 54.840 0.171 0.000 0.783 316 L CB -0.447 41.706 42.059 0.156 0.000 0.955 316 L HN 0.254 nan 8.230 nan 0.000 0.460 317 R N -0.065 120.458 120.500 0.038 0.000 2.090 317 R HA -0.074 4.266 4.340 0.000 0.000 0.228 317 R C 1.672 177.921 176.300 -0.084 0.000 1.110 317 R CA 1.398 57.452 56.100 -0.078 0.000 0.973 317 R CB -0.113 30.158 30.300 -0.047 0.000 0.869 317 R HN 0.361 nan 8.270 nan 0.000 0.440 318 C N 0.848 120.113 119.300 -0.060 0.000 2.525 318 C HA 0.230 4.690 4.460 0.000 0.000 0.313 318 C C 1.933 176.929 174.990 0.012 0.000 1.311 318 C CA -0.782 58.196 59.018 -0.067 0.000 1.725 318 C CB -1.384 26.249 27.740 -0.179 0.000 1.926 318 C HN 0.575 nan 8.230 nan 0.000 0.595 319 L N 2.707 123.978 121.223 0.080 0.000 1.989 319 L HA -0.078 4.262 4.340 0.000 0.000 0.211 319 L C -0.608 176.357 176.870 0.158 0.000 1.071 319 L CA 2.348 57.261 54.840 0.121 0.000 0.749 319 L CB -1.053 41.139 42.059 0.222 0.000 0.890 319 L HN 0.152 nan 8.230 nan 0.000 0.431 320 P HA -0.147 nan 4.420 nan 0.000 0.217 320 P C 1.273 178.647 177.300 0.123 0.000 1.150 320 P CA 1.220 64.403 63.100 0.139 0.000 0.832 320 P CB 0.027 31.746 31.700 0.033 0.000 0.787 321 Q N -1.933 117.947 119.800 0.133 0.000 2.170 321 Q HA -0.188 4.152 4.340 0.000 0.000 0.203 321 Q C 2.039 178.057 176.000 0.029 0.000 0.976 321 Q CA 1.400 57.245 55.803 0.070 0.000 0.858 321 Q CB -1.092 27.671 28.738 0.042 0.000 0.907 321 Q HN 0.353 nan 8.270 nan 0.000 0.433 322 Y N -0.021 120.225 120.300 -0.091 0.000 2.243 322 Y HA -0.008 4.542 4.550 0.000 0.000 0.293 322 Y C 1.466 177.306 175.900 -0.099 0.000 1.124 322 Y CA 1.010 59.026 58.100 -0.140 0.000 1.159 322 Y CB 0.140 38.435 38.460 -0.274 0.000 1.008 322 Y HN 0.013 nan 8.280 nan 0.000 0.527 323 L N -0.651 120.679 121.223 0.180 0.000 2.217 323 L HA -0.029 4.311 4.340 0.000 0.000 0.211 323 L C 2.617 179.496 176.870 0.015 0.000 1.107 323 L CA 0.812 55.738 54.840 0.144 0.000 0.783 323 L CB -1.132 41.069 42.059 0.237 0.000 0.919 323 L HN 0.390 nan 8.230 nan 0.000 0.442 324 G N 1.637 110.438 108.800 0.001 0.000 2.553 324 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 324 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 324 G C -0.509 174.316 174.900 -0.125 0.000 1.195 324 G CA 0.964 46.048 45.100 -0.026 0.000 0.779 324 G HN 0.307 nan 8.290 nan 0.000 0.577 325 P HA -0.074 nan 4.420 nan 0.000 0.216 325 P C 1.934 179.003 177.300 -0.385 0.000 1.150 325 P CA 0.997 63.949 63.100 -0.246 0.000 0.837 325 P CB -0.092 31.467 31.700 -0.235 0.000 0.786 326 I N -0.772 119.562 120.570 -0.394 0.000 2.133 326 I HA -0.194 3.976 4.170 0.000 0.000 0.238 326 I C 2.604 178.456 176.117 -0.441 0.000 1.074 326 I CA 1.178 62.152 61.300 -0.544 0.000 1.342 326 I CB -1.049 36.785 38.000 -0.277 0.000 1.053 326 I HN -0.218 nan 8.210 nan 0.000 0.404 327 V N 0.983 120.758 119.914 -0.232 0.000 2.250 327 V HA -0.381 3.739 4.120 0.000 0.000 0.250 327 V C 2.157 178.082 176.094 -0.283 0.000 1.060 327 V CA 2.319 64.478 62.300 -0.235 0.000 1.030 327 V CB -0.670 31.055 31.823 -0.165 0.000 0.643 327 V HN 0.438 nan 8.190 nan 0.000 0.445 328 D N 0.077 120.335 120.400 -0.238 0.000 2.144 328 D HA -0.098 4.542 4.640 0.000 0.000 0.199 328 D C 2.161 178.352 176.300 -0.182 0.000 0.984 328 D CA 1.578 55.467 54.000 -0.185 0.000 0.834 328 D CB -0.597 40.133 40.800 -0.116 0.000 0.955 328 D HN 0.487 nan 8.370 nan 0.000 0.465 329 G N 0.632 109.249 108.800 -0.305 0.000 2.402 329 G HA2 -0.190 3.770 3.960 0.000 0.000 0.216 329 G HA3 -0.190 3.770 3.960 0.000 0.000 0.216 329 G C 1.821 176.678 174.900 -0.072 0.000 1.162 329 G CA 0.293 45.245 45.100 -0.248 0.000 0.777 329 G HN 0.268 nan 8.290 nan 0.000 0.539 330 I N 1.303 121.758 120.570 -0.193 0.000 2.226 330 I HA -0.193 3.977 4.170 0.000 0.000 0.245 330 I C 3.014 179.114 176.117 -0.028 0.000 1.100 330 I CA 1.225 62.513 61.300 -0.020 0.000 1.374 330 I CB -0.183 37.791 38.000 -0.044 0.000 1.057 330 I HN 0.098 nan 8.210 nan 0.000 0.413 331 S N 0.182 115.821 115.700 -0.101 0.000 2.356 331 S HA -0.293 4.177 4.470 0.000 0.000 0.223 331 S C 1.889 176.472 174.600 -0.029 0.000 1.032 331 S CA 1.584 59.730 58.200 -0.090 0.000 1.005 331 S CB -0.421 62.692 63.200 -0.145 0.000 0.867 331 S HN 0.423 nan 8.310 nan 0.000 0.449 332 Q N 1.469 121.266 119.800 -0.005 0.000 2.077 332 Q HA -0.099 4.241 4.340 0.000 0.000 0.206 332 Q C 1.861 177.907 176.000 0.077 0.000 0.989 332 Q CA 1.726 57.555 55.803 0.043 0.000 0.853 332 Q CB -0.596 28.187 28.738 0.075 0.000 0.907 332 Q HN 0.621 nan 8.270 nan 0.000 0.418 333 I N 0.261 120.900 120.570 0.115 0.000 2.142 333 I HA -0.268 3.902 4.170 0.000 0.000 0.240 333 I C 2.354 178.515 176.117 0.073 0.000 1.078 333 I CA 1.024 62.401 61.300 0.128 0.000 1.343 333 I CB -0.701 37.403 38.000 0.174 0.000 1.046 333 I HN 0.331 nan 8.210 nan 0.000 0.405 334 A N 0.641 123.491 122.820 0.050 0.000 1.948 334 A HA -0.309 4.011 4.320 0.000 0.000 0.220 334 A C 2.379 179.968 177.584 0.009 0.000 1.177 334 A CA 2.179 54.233 52.037 0.028 0.000 0.636 334 A CB -0.636 18.370 19.000 0.011 0.000 0.815 334 A HN 0.370 nan 8.150 nan 0.000 0.449 335 K N -0.762 119.637 120.400 -0.001 0.000 2.057 335 K HA -0.177 4.143 4.320 0.000 0.000 0.207 335 K C 2.345 178.917 176.600 -0.046 0.000 1.049 335 K CA 1.618 57.892 56.287 -0.022 0.000 0.931 335 K CB -0.159 32.328 32.500 -0.020 0.000 0.714 335 K HN 0.696 nan 8.250 nan 0.000 0.440 336 Q N 0.120 119.900 119.800 -0.033 0.000 2.046 336 Q HA -0.133 4.208 4.340 0.000 0.000 0.200 336 Q C 2.047 177.993 176.000 -0.090 0.000 0.975 336 Q CA 0.998 56.741 55.803 -0.100 0.000 0.836 336 Q CB -0.024 28.736 28.738 0.036 0.000 0.896 336 Q HN 0.265 nan 8.270 nan 0.000 0.428 337 I N 1.576 122.138 120.570 -0.013 0.000 2.208 337 I HA -0.244 3.926 4.170 0.000 0.000 0.245 337 I C 2.050 178.154 176.117 -0.023 0.000 1.097 337 I CA 1.571 62.871 61.300 -0.001 0.000 1.363 337 I CB -1.148 36.870 38.000 0.029 0.000 1.051 337 I HN 0.296 nan 8.210 nan 0.000 0.413 338 E N 0.398 120.582 120.200 -0.026 0.000 2.153 338 E HA -0.184 4.166 4.350 0.000 0.000 0.194 338 E C 2.359 178.927 176.600 -0.053 0.000 0.988 338 E CA 0.977 57.359 56.400 -0.030 0.000 0.811 338 E CB -0.059 29.628 29.700 -0.021 0.000 0.746 338 E HN 0.482 nan 8.360 nan 0.000 0.466 339 I N 0.754 121.272 120.570 -0.086 0.000 2.286 339 I HA -0.213 3.957 4.170 0.000 0.000 0.245 339 I C 2.493 178.548 176.117 -0.104 0.000 1.104 339 I CA 0.884 62.117 61.300 -0.112 0.000 1.397 339 I CB 0.049 37.945 38.000 -0.174 0.000 1.072 339 I HN 0.005 nan 8.210 nan 0.000 0.417 340 E N 1.441 121.579 120.200 -0.103 0.000 2.077 340 E HA -0.186 4.164 4.350 0.000 0.000 0.193 340 E C 2.077 178.655 176.600 -0.036 0.000 0.989 340 E CA 1.342 57.705 56.400 -0.062 0.000 0.800 340 E CB -0.213 29.470 29.700 -0.029 0.000 0.746 340 E HN 0.410 nan 8.360 nan 0.000 0.452 341 I N 0.863 121.414 120.570 -0.032 0.000 2.315 341 I HA -0.257 3.913 4.170 0.000 0.000 0.251 341 I C 1.111 177.208 176.117 -0.034 0.000 1.125 341 I CA 1.068 62.351 61.300 -0.028 0.000 1.392 341 I CB -0.178 37.809 38.000 -0.023 0.000 1.065 341 I HN 0.134 nan 8.210 nan 0.000 0.424 342 N N 0.023 118.699 118.700 -0.039 0.000 2.234 342 N HA 0.150 4.890 4.740 0.000 0.000 0.227 342 N C -0.225 175.263 175.510 -0.037 0.000 1.151 342 N CA 0.106 53.134 53.050 -0.036 0.000 0.865 342 N CB 0.831 39.297 38.487 -0.034 0.000 1.066 342 N HN 0.078 nan 8.380 nan 0.000 0.515 343 S N 0.252 115.928 115.700 -0.039 0.000 2.617 343 S HA 0.389 4.859 4.470 0.000 0.000 0.283 343 S C 0.442 175.029 174.600 -0.023 0.000 1.189 343 S CA -0.582 57.598 58.200 -0.034 0.000 1.036 343 S CB 2.455 65.630 63.200 -0.041 0.000 1.014 343 S HN -0.142 nan 8.310 nan 0.000 0.522 344 V N 3.171 123.080 119.914 -0.009 0.000 2.405 344 V HA 0.294 4.415 4.120 0.000 0.000 0.264 344 V C 0.631 176.737 176.094 0.020 0.000 1.048 344 V CA -0.369 61.936 62.300 0.008 0.000 0.966 344 V CB 0.201 32.042 31.823 0.030 0.000 1.015 344 V HN 1.009 nan 8.190 nan 0.000 0.477 345 T N 1.647 116.216 114.554 0.025 0.000 3.053 345 T HA 0.656 5.006 4.350 0.000 0.000 0.363 345 T C -0.671 174.096 174.700 0.112 0.000 1.239 345 T CA -0.676 61.460 62.100 0.060 0.000 1.071 345 T CB 0.573 69.472 68.868 0.051 0.000 1.089 345 T HN 0.853 nan 8.240 nan 0.000 0.527 346 D N 1.818 122.316 120.400 0.164 0.000 2.865 346 D HA 0.387 5.027 4.640 0.000 0.000 0.343 346 D C -1.570 174.906 176.300 0.293 0.000 1.372 346 D CA -0.663 53.483 54.000 0.244 0.000 0.862 346 D CB 1.181 42.102 40.800 0.200 0.000 1.425 346 D HN 0.488 nan 8.370 nan 0.000 0.501 347 N N -0.855 118.046 118.700 0.334 0.000 2.647 347 N HA 0.439 5.179 4.740 0.000 0.000 0.259 347 N C -3.172 172.563 175.510 0.375 0.000 1.098 347 N CA -0.760 52.518 53.050 0.381 0.000 0.984 347 N CB 2.379 41.203 38.487 0.561 0.000 1.683 347 N HN 0.067 nan 8.380 nan 0.000 0.501 348 P HA 0.252 nan 4.420 nan 0.000 0.272 348 P C -0.670 176.760 177.300 0.216 0.000 1.240 348 P CA -0.266 63.041 63.100 0.343 0.000 0.791 348 P CB 0.682 32.618 31.700 0.394 0.000 0.978 349 L N 1.829 123.156 121.223 0.174 0.000 2.317 349 L HA 0.413 4.753 4.340 0.000 0.000 0.281 349 L C -0.085 176.791 176.870 0.009 0.000 1.024 349 L CA -0.900 54.012 54.840 0.120 0.000 0.810 349 L CB 0.971 43.126 42.059 0.159 0.000 1.240 349 L HN 0.173 nan 8.230 nan 0.000 0.427 350 I N 2.465 123.013 120.570 -0.036 0.000 2.315 350 I HA 0.144 4.315 4.170 0.000 0.000 0.291 350 I C -0.120 175.887 176.117 -0.184 0.000 1.006 350 I CA -0.196 60.984 61.300 -0.200 0.000 1.265 350 I CB 1.178 39.084 38.000 -0.157 0.000 1.387 350 I HN 0.489 nan 8.210 nan 0.000 0.475 351 D N 6.641 126.867 120.400 -0.290 0.000 2.467 351 D HA 0.177 4.817 4.640 0.000 0.000 0.220 351 D C 1.092 177.263 176.300 -0.214 0.000 1.103 351 D CA -0.476 53.444 54.000 -0.133 0.000 0.886 351 D CB 1.245 42.075 40.800 0.049 0.000 1.025 351 D HN 0.360 nan 8.370 nan 0.000 0.514 352 V N 1.419 121.249 119.914 -0.140 0.000 2.453 352 V HA -0.092 4.028 4.120 0.000 0.000 0.247 352 V C 1.493 177.552 176.094 -0.058 0.000 1.048 352 V CA 1.145 63.377 62.300 -0.114 0.000 1.049 352 V CB -0.344 31.455 31.823 -0.040 0.000 0.672 352 V HN 0.253 nan 8.190 nan 0.000 0.457 353 D N 1.392 121.772 120.400 -0.033 0.000 2.149 353 D HA -0.129 4.511 4.640 0.000 0.000 0.198 353 D C 1.772 178.069 176.300 -0.005 0.000 0.990 353 D CA 1.645 55.640 54.000 -0.008 0.000 0.839 353 D CB -0.300 40.502 40.800 0.004 0.000 0.948 353 D HN 0.566 nan 8.370 nan 0.000 0.460 354 N N 0.481 119.170 118.700 -0.018 0.000 2.203 354 N HA -0.022 4.718 4.740 0.000 0.000 0.207 354 N C -0.405 175.082 175.510 -0.038 0.000 1.130 354 N CA 0.038 53.085 53.050 -0.005 0.000 0.861 354 N CB 0.723 39.236 38.487 0.044 0.000 1.005 354 N HN 0.048 nan 8.380 nan 0.000 0.507 355 Q N -0.010 119.744 119.800 -0.078 0.000 2.447 355 Q HA -0.190 4.150 4.340 0.000 0.000 0.348 355 Q C -0.710 175.199 176.000 -0.151 0.000 1.421 355 Q CA 0.528 56.293 55.803 -0.064 0.000 0.978 355 Q CB -1.596 27.218 28.738 0.127 0.000 1.191 355 Q HN 0.476 nan 8.270 nan 0.000 0.371 356 A N 0.206 122.729 122.820 -0.495 0.000 2.594 356 A HA 0.802 5.122 4.320 0.000 0.000 0.295 356 A C -0.289 176.780 177.584 -0.859 0.000 1.071 356 A CA 0.093 51.799 52.037 -0.551 0.000 0.685 356 A CB 1.784 20.495 19.000 -0.483 0.000 1.285 356 A HN 0.543 nan 8.150 nan 0.000 0.405 357 S N 0.070 115.347 115.700 -0.706 0.000 2.536 357 S HA 0.853 5.323 4.470 0.000 0.000 0.298 357 S C -1.192 172.992 174.600 -0.692 0.000 1.083 357 S CA -0.527 57.309 58.200 -0.607 0.000 0.995 357 S CB 0.942 64.018 63.200 -0.207 0.000 1.058 357 S HN 0.601 nan 8.310 nan 0.000 0.488 358 Y N -0.063 120.194 120.300 -0.071 0.000 2.376 358 Y HA 0.393 4.943 4.550 0.000 0.000 0.340 358 Y C 0.332 176.265 175.900 0.054 0.000 0.965 358 Y CA -0.996 57.066 58.100 -0.064 0.000 1.078 358 Y CB 1.445 39.887 38.460 -0.030 0.000 1.193 358 Y HN 0.743 nan 8.280 nan 0.000 0.452 359 H N 1.812 121.009 119.070 0.212 0.000 2.800 359 H HA 0.502 5.058 4.556 0.000 0.000 0.291 359 H C 0.284 175.685 175.328 0.121 0.000 1.076 359 H CA -0.334 55.811 56.048 0.162 0.000 1.452 359 H CB 0.867 30.700 29.762 0.118 0.000 1.461 359 H HN 0.934 nan 8.280 nan 0.000 0.488 360 G N 1.009 109.947 108.800 0.231 0.000 3.021 360 G HA2 0.476 4.437 3.960 0.000 0.000 0.290 360 G HA3 0.476 4.437 3.960 0.000 0.000 0.290 360 G C -0.113 174.759 174.900 -0.047 0.000 1.291 360 G CA -0.435 44.711 45.100 0.077 0.000 0.834 360 G HN 0.597 nan 8.290 nan 0.000 0.564 361 G N -0.371 108.247 108.800 -0.304 0.000 4.921 361 G HA2 0.238 4.198 3.960 0.000 0.000 0.248 361 G HA3 0.238 4.198 3.960 0.000 0.000 0.248 361 G C 0.218 174.537 174.900 -0.967 0.000 1.026 361 G CA -0.160 44.381 45.100 -0.931 0.000 0.825 361 G HN 0.279 nan 8.290 nan 0.000 0.538 362 N N 0.814 119.184 118.700 -0.551 0.000 2.512 362 N HA -0.038 4.702 4.740 0.000 0.000 0.183 362 N C 1.755 177.142 175.510 -0.205 0.000 1.073 362 N CA 0.332 53.220 53.050 -0.271 0.000 0.911 362 N CB -0.234 38.204 38.487 -0.083 0.000 0.964 362 N HN 0.615 nan 8.380 nan 0.000 0.447 363 F N -0.518 119.451 119.950 0.032 0.000 2.604 363 F HA 0.128 4.656 4.527 0.000 0.000 0.298 363 F C 0.759 176.566 175.800 0.012 0.000 1.131 363 F CA -0.477 57.538 58.000 0.025 0.000 1.457 363 F CB -0.822 38.198 39.000 0.033 0.000 1.095 363 F HN -0.145 nan 8.300 nan 0.000 0.574 364 L N 2.483 123.639 121.223 -0.113 0.000 2.456 364 L HA 0.389 4.729 4.340 0.000 0.000 0.277 364 L C 1.124 177.998 176.870 0.006 0.000 1.124 364 L CA -0.202 54.630 54.840 -0.013 0.000 0.880 364 L CB 0.479 42.457 42.059 -0.136 0.000 1.192 364 L HN 0.245 nan 8.230 nan 0.000 0.463 365 G N 3.224 112.053 108.800 0.049 0.000 3.530 365 G HA2 0.005 3.965 3.960 0.000 0.000 0.269 365 G HA3 0.005 3.965 3.960 0.000 0.000 0.269 365 G C 0.814 175.725 174.900 0.018 0.000 1.314 365 G CA -0.173 44.960 45.100 0.055 0.000 1.441 365 G HN 0.764 nan 8.290 nan 0.000 0.595 366 Q N 0.124 119.900 119.800 -0.040 0.000 2.096 366 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 366 Q C 1.687 177.577 176.000 -0.184 0.000 0.982 366 Q CA 1.705 57.420 55.803 -0.146 0.000 0.850 366 Q CB -0.348 28.247 28.738 -0.238 0.000 0.901 366 Q HN 0.679 nan 8.270 nan 0.000 0.422 367 Y N -1.198 119.065 120.300 -0.062 0.000 2.256 367 Y HA -0.211 4.339 4.550 0.000 0.000 0.288 367 Y C 2.150 178.017 175.900 -0.055 0.000 1.155 367 Y CA 1.232 59.298 58.100 -0.057 0.000 1.203 367 Y CB -0.199 38.239 38.460 -0.036 0.000 0.980 367 Y HN -0.004 nan 8.280 nan 0.000 0.530 368 V N -0.779 119.193 119.914 0.098 0.000 2.346 368 V HA -0.090 4.030 4.120 0.000 0.000 0.244 368 V C 1.829 177.921 176.094 -0.003 0.000 1.037 368 V CA 1.055 63.387 62.300 0.053 0.000 1.029 368 V CB -1.334 30.526 31.823 0.063 0.000 0.663 368 V HN 0.390 nan 8.190 nan 0.000 0.454 374 H N 1.240 120.180 119.070 -0.217 0.000 2.290 374 H HA 0.004 4.560 4.556 0.000 0.000 0.298 374 H C 2.173 177.123 175.328 -0.630 0.000 1.087 374 H CA 1.110 56.881 56.048 -0.463 0.000 1.291 374 H CB -0.431 29.126 29.762 -0.341 0.000 1.369 374 H HN 0.104 nan 8.280 nan 0.000 0.492 375 L N 0.778 121.943 121.223 -0.098 0.000 2.012 375 L HA -0.163 4.178 4.340 0.000 0.000 0.210 375 L C 2.508 179.374 176.870 -0.006 0.000 1.073 375 L CA 1.520 56.380 54.840 0.032 0.000 0.748 375 L CB -0.235 41.878 42.059 0.090 0.000 0.891 375 L HN 0.068 nan 8.230 nan 0.000 0.431 376 R N -1.807 118.686 120.500 -0.012 0.000 2.083 376 R HA -0.255 4.085 4.340 0.000 0.000 0.237 376 R C 2.308 178.614 176.300 0.010 0.000 1.137 376 R CA 2.049 58.154 56.100 0.008 0.000 0.951 376 R CB -0.902 29.423 30.300 0.042 0.000 0.851 376 R HN 0.464 nan 8.270 nan 0.000 0.434 377 Y N 0.699 120.894 120.300 -0.174 0.000 2.128 377 Y HA -0.308 4.242 4.550 0.000 0.000 0.284 377 Y C 1.854 177.691 175.900 -0.106 0.000 1.154 377 Y CA 1.479 59.471 58.100 -0.179 0.000 1.149 377 Y CB -0.402 37.901 38.460 -0.261 0.000 0.976 377 Y HN 0.001 nan 8.280 nan 0.000 0.505 378 Y N 0.081 120.316 120.300 -0.108 0.000 2.181 378 Y HA -0.218 4.332 4.550 0.000 0.000 0.288 378 Y C 2.556 178.308 175.900 -0.247 0.000 1.146 378 Y CA 1.185 59.151 58.100 -0.223 0.000 1.164 378 Y CB -1.187 37.224 38.460 -0.083 0.000 0.982 378 Y HN 0.166 nan 8.280 nan 0.000 0.515 379 I N -0.367 120.147 120.570 -0.095 0.000 2.264 379 I HA -0.271 3.899 4.170 0.000 0.000 0.248 379 I C 2.573 178.427 176.117 -0.437 0.000 1.111 379 I CA 1.593 62.646 61.300 -0.412 0.000 1.382 379 I CB -0.791 36.963 38.000 -0.409 0.000 1.060 379 I HN 0.273 nan 8.210 nan 0.000 0.418 380 G N 0.525 109.184 108.800 -0.234 0.000 2.422 380 G HA2 -0.129 3.831 3.960 0.000 0.000 0.218 380 G HA3 -0.129 3.831 3.960 0.000 0.000 0.218 380 G C 1.684 176.498 174.900 -0.142 0.000 1.140 380 G CA 0.279 45.278 45.100 -0.168 0.000 0.775 380 G HN 0.273 nan 8.290 nan 0.000 0.545 381 L N -0.231 120.899 121.223 -0.156 0.000 2.131 381 L HA 0.147 4.487 4.340 0.000 0.000 0.206 381 L C 2.772 179.742 176.870 0.166 0.000 1.087 381 L CA 0.258 55.074 54.840 -0.041 0.000 0.767 381 L CB -0.214 41.709 42.059 -0.227 0.000 0.917 381 L HN 0.162 nan 8.230 nan 0.000 0.441 382 L N -0.561 120.700 121.223 0.062 0.000 2.093 382 L HA -0.174 4.166 4.340 0.000 0.000 0.208 382 L C 2.811 179.777 176.870 0.160 0.000 1.085 382 L CA 1.156 56.107 54.840 0.185 0.000 0.755 382 L CB -0.634 41.483 42.059 0.097 0.000 0.904 382 L HN 0.239 nan 8.230 nan 0.000 0.435 383 A N -0.044 122.730 122.820 -0.076 0.000 1.872 383 A HA -0.220 4.100 4.320 0.000 0.000 0.214 383 A C 2.338 179.835 177.584 -0.146 0.000 1.187 383 A CA 1.659 53.561 52.037 -0.225 0.000 0.614 383 A CB -0.378 18.331 19.000 -0.486 0.000 0.826 383 A HN 0.255 nan 8.150 nan 0.000 0.442 384 K N -0.847 119.530 120.400 -0.037 0.000 2.044 384 K HA -0.265 4.055 4.320 0.000 0.000 0.210 384 K C 2.031 178.700 176.600 0.114 0.000 1.049 384 K CA 1.960 58.273 56.287 0.044 0.000 0.927 384 K CB -0.404 32.140 32.500 0.072 0.000 0.713 384 K HN 0.788 nan 8.250 nan 0.000 0.443 385 H N -0.109 118.974 119.070 0.022 0.000 2.353 385 H HA -0.097 4.459 4.556 0.000 0.000 0.300 385 H C 2.072 177.465 175.328 0.108 0.000 1.090 385 H CA 1.526 57.536 56.048 -0.062 0.000 1.327 385 H CB 0.082 29.718 29.762 -0.210 0.000 1.383 385 H HN 0.162 nan 8.280 nan 0.000 0.508 386 L N 0.293 121.594 121.223 0.130 0.000 2.083 386 L HA -0.186 4.154 4.340 0.000 0.000 0.209 386 L C 2.224 179.181 176.870 0.146 0.000 1.083 386 L CA 1.518 56.418 54.840 0.100 0.000 0.752 386 L CB -0.301 41.926 42.059 0.280 0.000 0.899 386 L HN 0.323 nan 8.230 nan 0.000 0.433 387 D N -0.765 119.758 120.400 0.205 0.000 2.183 387 D HA -0.122 4.518 4.640 0.000 0.000 0.203 387 D C 2.115 178.441 176.300 0.044 0.000 0.969 387 D CA 0.610 54.716 54.000 0.176 0.000 0.842 387 D CB 0.275 41.185 40.800 0.184 0.000 0.957 387 D HN 0.009 nan 8.370 nan 0.000 0.484 388 V N 0.595 120.536 119.914 0.046 0.000 2.548 388 V HA -0.173 3.948 4.120 0.000 0.000 0.249 388 V C 2.348 178.438 176.094 -0.007 0.000 1.055 388 V CA 1.142 63.447 62.300 0.008 0.000 1.065 388 V CB -0.391 31.445 31.823 0.021 0.000 0.681 388 V HN 0.257 nan 8.190 nan 0.000 0.462 389 Q N -0.223 119.583 119.800 0.010 0.000 2.079 389 Q HA -0.079 4.261 4.340 0.000 0.000 0.200 389 Q C 2.312 178.286 176.000 -0.043 0.000 0.974 389 Q CA 1.575 57.383 55.803 0.010 0.000 0.840 389 Q CB -0.284 28.473 28.738 0.030 0.000 0.898 389 Q HN 0.570 nan 8.270 nan 0.000 0.430 390 I N 0.852 121.346 120.570 -0.126 0.000 2.264 390 I HA -0.268 3.903 4.170 0.000 0.000 0.248 390 I C 2.344 178.313 176.117 -0.247 0.000 1.111 390 I CA 1.032 62.129 61.300 -0.338 0.000 1.382 390 I CB -0.385 37.253 38.000 -0.603 0.000 1.060 390 I HN 0.074 nan 8.210 nan 0.000 0.418 391 A N 0.835 123.578 122.820 -0.128 0.000 1.930 391 A HA -0.125 4.195 4.320 0.000 0.000 0.217 391 A C 2.299 179.900 177.584 0.027 0.000 1.175 391 A CA 1.164 53.169 52.037 -0.053 0.000 0.627 391 A CB -0.661 18.311 19.000 -0.046 0.000 0.815 391 A HN 0.362 nan 8.150 nan 0.000 0.443 392 L N -0.685 120.550 121.223 0.020 0.000 2.017 392 L HA -0.203 4.137 4.340 0.000 0.000 0.208 392 L C 2.607 179.557 176.870 0.133 0.000 1.073 392 L CA 1.280 56.183 54.840 0.105 0.000 0.745 392 L CB -0.682 41.420 42.059 0.073 0.000 0.894 392 L HN 0.392 nan 8.230 nan 0.000 0.432 393 L N -0.242 121.031 121.223 0.082 0.000 2.017 393 L HA -0.190 4.150 4.340 0.000 0.000 0.208 393 L C 2.824 179.786 176.870 0.153 0.000 1.073 393 L CA 1.334 56.249 54.840 0.124 0.000 0.745 393 L CB -0.759 41.386 42.059 0.144 0.000 0.894 393 L HN 0.228 nan 8.230 nan 0.000 0.432 394 A N -1.254 121.641 122.820 0.125 0.000 2.067 394 A HA -0.036 4.285 4.320 0.000 0.000 0.219 394 A C 1.278 178.941 177.584 0.132 0.000 1.158 394 A CA 0.782 52.916 52.037 0.162 0.000 0.661 394 A CB -0.242 18.839 19.000 0.135 0.000 0.801 394 A HN 0.337 nan 8.150 nan 0.000 0.452 395 S N 0.669 116.455 115.700 0.143 0.000 2.438 395 S HA 0.422 4.892 4.470 0.000 0.000 0.316 395 S C -2.101 172.557 174.600 0.097 0.000 1.084 395 S CA -1.058 57.228 58.200 0.142 0.000 1.107 395 S CB 1.528 64.886 63.200 0.262 0.000 0.981 395 S HN 0.259 nan 8.310 nan 0.000 0.466 396 P HA 0.029 nan 4.420 nan 0.000 0.237 396 P C 0.570 177.814 177.300 -0.092 0.000 1.178 396 P CA 0.516 63.617 63.100 0.002 0.000 0.766 396 P CB 0.268 31.972 31.700 0.007 0.000 0.876 397 E N -0.778 119.287 120.200 -0.225 0.000 2.153 397 E HA -0.105 4.245 4.350 0.000 0.000 0.194 397 E C 0.848 177.054 176.600 -0.657 0.000 0.988 397 E CA 1.375 57.448 56.400 -0.546 0.000 0.811 397 E CB -0.539 28.611 29.700 -0.918 0.000 0.746 397 E HN 0.361 nan 8.360 nan 0.000 0.466 398 F N -1.487 118.484 119.950 0.035 0.000 2.784 398 F HA 0.178 4.705 4.527 0.000 0.000 0.323 398 F C 1.745 177.573 175.800 0.046 0.000 1.085 398 F CA 0.131 58.153 58.000 0.037 0.000 1.196 398 F CB 0.146 39.163 39.000 0.028 0.000 1.053 398 F HN -0.091 nan 8.300 nan 0.000 0.578 399 S N 0.159 115.960 115.700 0.169 0.000 2.607 399 S HA -0.123 4.347 4.470 0.000 0.000 0.224 399 S C 0.916 175.582 174.600 0.110 0.000 0.969 399 S CA 0.381 58.665 58.200 0.140 0.000 0.927 399 S CB -1.119 62.156 63.200 0.125 0.000 0.772 399 S HN 0.582 nan 8.310 nan 0.000 0.533 400 N N 0.782 119.538 118.700 0.092 0.000 2.705 400 N HA -0.225 4.515 4.740 0.000 0.000 0.255 400 N C 0.773 176.324 175.510 0.067 0.000 1.008 400 N CA 0.318 53.413 53.050 0.075 0.000 0.742 400 N CB -1.454 37.084 38.487 0.084 0.000 0.906 400 N HN 1.018 nan 8.380 nan 0.000 0.541 401 G N -0.726 108.110 108.800 0.060 0.000 2.176 401 G HA2 -0.272 3.689 3.960 0.000 0.000 0.232 401 G HA3 -0.272 3.689 3.960 0.000 0.000 0.232 401 G C 0.201 175.149 174.900 0.081 0.000 0.986 401 G CA 0.282 45.419 45.100 0.060 0.000 0.643 401 G HN 0.387 nan 8.290 nan 0.000 0.522 402 L N 1.552 122.831 121.223 0.094 0.000 2.452 402 L HA 0.383 4.723 4.340 0.000 0.000 0.267 402 L C -1.462 175.468 176.870 0.099 0.000 1.188 402 L CA -1.823 53.085 54.840 0.114 0.000 0.821 402 L CB 0.176 42.313 42.059 0.129 0.000 1.102 402 L HN -0.040 nan 8.230 nan 0.000 0.470 403 P HA 0.165 nan 4.420 nan 0.000 0.272 403 P C -2.514 174.828 177.300 0.070 0.000 1.223 403 P CA -1.337 61.809 63.100 0.076 0.000 0.784 403 P CB -0.261 31.481 31.700 0.069 0.000 0.923 404 P HA -0.047 nan 4.420 nan 0.000 0.269 404 P C -0.015 177.323 177.300 0.062 0.000 1.209 404 P CA 0.395 63.526 63.100 0.053 0.000 0.776 404 P CB -0.012 31.706 31.700 0.029 0.000 0.876 405 S N 0.425 116.182 115.700 0.096 0.000 3.309 405 S HA -0.225 4.245 4.470 0.000 0.000 0.373 405 S C 0.805 175.469 174.600 0.107 0.000 1.083 405 S CA 0.953 59.231 58.200 0.130 0.000 1.059 405 S CB -2.060 61.189 63.200 0.082 0.000 0.901 405 S HN 0.637 nan 8.310 nan 0.000 0.505 406 L N -2.969 118.323 121.223 0.115 0.000 3.737 406 L HA -0.223 4.117 4.340 0.000 0.000 0.418 406 L C 0.504 177.376 176.870 0.003 0.000 1.216 406 L CA 0.065 54.955 54.840 0.083 0.000 0.915 406 L CB -1.406 40.719 42.059 0.110 0.000 1.834 406 L HN 0.498 nan 8.230 nan 0.000 0.943 407 L N 0.644 121.857 121.223 -0.016 0.000 2.525 407 L HA 0.255 4.595 4.340 0.000 0.000 0.278 407 L C 1.490 178.303 176.870 -0.096 0.000 1.218 407 L CA 1.554 56.346 54.840 -0.081 0.000 0.878 407 L CB 1.253 43.264 42.059 -0.081 0.000 1.127 407 L HN 0.154 nan 8.230 nan 0.000 0.492 408 G N 2.864 111.553 108.800 -0.184 0.000 2.632 408 G HA2 -0.124 3.837 3.960 0.000 0.000 0.220 408 G HA3 -0.124 3.837 3.960 0.000 0.000 0.220 408 G C 0.137 174.698 174.900 -0.565 0.000 1.439 408 G CA 0.069 45.039 45.100 -0.217 0.000 0.934 408 G HN 0.663 nan 8.290 nan 0.000 0.536 409 N N 1.434 119.442 118.700 -1.153 0.000 2.421 409 N HA 0.075 4.815 4.740 0.000 0.000 0.260 409 N C 1.569 176.689 175.510 -0.649 0.000 1.173 409 N CA -0.283 51.873 53.050 -1.489 0.000 0.960 409 N CB 0.422 37.686 38.487 -2.039 0.000 1.273 409 N HN 0.316 nan 8.380 nan 0.000 0.497 410 R N 2.426 122.693 120.500 -0.388 0.000 2.310 410 R HA 0.038 4.378 4.340 0.000 0.000 0.202 410 R C 0.833 177.046 176.300 -0.146 0.000 0.933 410 R CA 0.328 56.306 56.100 -0.204 0.000 1.054 410 R CB -0.211 30.025 30.300 -0.106 0.000 0.985 410 R HN 0.570 nan 8.270 nan 0.000 0.489 411 E N 1.754 121.856 120.200 -0.164 0.000 2.204 411 E HA -0.097 4.253 4.350 0.000 0.000 0.194 411 E C 0.093 176.630 176.600 -0.105 0.000 0.989 411 E CA 0.330 56.678 56.400 -0.087 0.000 0.824 411 E CB 0.222 29.901 29.700 -0.035 0.000 0.756 411 E HN 0.190 nan 8.360 nan 0.000 0.477 412 R N 1.189 121.585 120.500 -0.173 0.000 2.215 412 R HA 0.083 4.423 4.340 0.000 0.000 0.336 412 R C 0.768 176.987 176.300 -0.135 0.000 0.996 412 R CA -0.324 55.687 56.100 -0.149 0.000 0.847 412 R CB 0.599 30.786 30.300 -0.189 0.000 1.127 412 R HN -0.133 nan 8.270 nan 0.000 0.465 413 K N 2.692 123.037 120.400 -0.091 0.000 2.296 413 K HA -0.041 4.279 4.320 0.000 0.000 0.200 413 K C 1.624 178.180 176.600 -0.074 0.000 1.048 413 K CA 1.083 57.325 56.287 -0.075 0.000 0.966 413 K CB 0.241 32.710 32.500 -0.051 0.000 0.754 413 K HN 0.581 nan 8.250 nan 0.000 0.466 414 V N -0.676 119.192 119.914 -0.077 0.000 3.217 414 V HA -0.021 4.099 4.120 0.000 0.000 0.264 414 V C 0.828 176.870 176.094 -0.086 0.000 1.135 414 V CA 0.148 62.406 62.300 -0.071 0.000 1.142 414 V CB -0.600 31.185 31.823 -0.062 0.000 0.754 414 V HN 0.050 nan 8.190 nan 0.000 0.484 418 L N 1.423 122.571 121.223 -0.124 0.000 2.688 418 L HA 0.286 4.626 4.340 0.000 0.000 0.234 418 L C 2.292 179.177 176.870 0.024 0.000 1.192 418 L CA 0.133 54.865 54.840 -0.179 0.000 0.984 418 L CB 0.175 41.912 42.059 -0.537 0.000 1.232 418 L HN 0.541 nan 8.230 nan 0.000 0.465 419 K N 1.482 121.902 120.400 0.033 0.000 2.074 419 K HA -0.184 4.136 4.320 0.000 0.000 0.209 419 K C 2.012 178.651 176.600 0.066 0.000 1.048 419 K CA 1.813 58.141 56.287 0.068 0.000 0.926 419 K CB -0.115 32.402 32.500 0.029 0.000 0.713 419 K HN 0.396 nan 8.250 nan 0.000 0.444 420 G N 1.003 109.815 108.800 0.019 0.000 2.402 420 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 420 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 420 G C 1.386 176.312 174.900 0.043 0.000 1.162 420 G CA 0.645 45.754 45.100 0.015 0.000 0.777 420 G HN 0.287 nan 8.290 nan 0.000 0.539 421 L N 0.383 121.628 121.223 0.037 0.000 2.046 421 L HA -0.024 4.316 4.340 0.000 0.000 0.208 421 L C 2.841 179.878 176.870 0.278 0.000 1.077 421 L CA 2.449 57.337 54.840 0.081 0.000 0.747 421 L CB -0.589 41.417 42.059 -0.088 0.000 0.896 421 L HN 0.398 nan 8.230 nan 0.000 0.432 422 Q N -0.391 119.655 119.800 0.411 0.000 2.061 422 Q HA -0.243 4.098 4.340 0.000 0.000 0.204 422 Q C 2.269 178.349 176.000 0.133 0.000 0.984 422 Q CA 2.560 58.523 55.803 0.266 0.000 0.846 422 Q CB -0.269 28.577 28.738 0.181 0.000 0.902 422 Q HN 0.648 nan 8.270 nan 0.000 0.421 423 I N 0.248 120.885 120.570 0.111 0.000 2.118 423 I HA -0.386 3.784 4.170 0.000 0.000 0.241 423 I C 2.800 178.967 176.117 0.084 0.000 1.070 423 I CA 1.113 62.461 61.300 0.079 0.000 1.327 423 I CB -0.592 37.443 38.000 0.058 0.000 1.034 423 I HN 0.479 nan 8.210 nan 0.000 0.405 424 C N 1.400 120.750 119.300 0.083 0.000 2.401 424 C HA -0.159 4.302 4.460 0.000 0.000 0.276 424 C C 2.986 178.043 174.990 0.112 0.000 1.233 424 C CA 1.405 60.472 59.018 0.082 0.000 1.753 424 C CB -1.703 26.075 27.740 0.062 0.000 2.029 424 C HN 0.674 nan 8.230 nan 0.000 0.478 425 G N -0.286 108.583 108.800 0.115 0.000 2.422 425 G HA2 -0.198 3.762 3.960 0.000 0.000 0.218 425 G HA3 -0.198 3.762 3.960 0.000 0.000 0.218 425 G C 1.417 176.470 174.900 0.255 0.000 1.140 425 G CA 0.973 46.162 45.100 0.150 0.000 0.775 425 G HN 0.793 nan 8.290 nan 0.000 0.545 426 N N 0.475 119.268 118.700 0.155 0.000 2.459 426 N HA -0.061 4.679 4.740 0.000 0.000 0.181 426 N C 2.180 177.761 175.510 0.117 0.000 1.046 426 N CA 1.023 54.149 53.050 0.127 0.000 0.904 426 N CB 0.072 38.607 38.487 0.080 0.000 0.964 426 N HN 0.442 nan 8.380 nan 0.000 0.444 427 S N -0.318 115.454 115.700 0.120 0.000 2.524 427 S HA 0.191 4.661 4.470 0.000 0.000 0.216 427 S C 0.764 175.435 174.600 0.119 0.000 0.987 427 S CA -0.146 58.112 58.200 0.096 0.000 0.909 427 S CB 0.161 63.405 63.200 0.074 0.000 0.781 427 S HN 0.088 nan 8.310 nan 0.000 0.521 431 L N 0.334 121.613 121.223 0.094 0.000 2.046 431 L HA 0.005 4.345 4.340 0.000 0.000 0.208 431 L C 2.049 179.086 176.870 0.277 0.000 1.077 431 L CA 1.721 56.636 54.840 0.125 0.000 0.747 431 L CB -0.805 41.335 42.059 0.136 0.000 0.896 431 L HN 0.033 nan 8.230 nan 0.000 0.432 432 L N -1.016 120.339 121.223 0.220 0.000 2.012 432 L HA -0.269 4.071 4.340 0.000 0.000 0.210 432 L C 2.588 179.552 176.870 0.157 0.000 1.073 432 L CA 2.052 57.008 54.840 0.193 0.000 0.748 432 L CB -1.213 40.863 42.059 0.029 0.000 0.891 432 L HN 0.518 nan 8.230 nan 0.000 0.431 433 T N -2.431 112.184 114.554 0.101 0.000 2.746 433 T HA -0.295 4.055 4.350 0.000 0.000 0.267 433 T C 1.745 176.518 174.700 0.122 0.000 1.039 433 T CA 1.353 63.505 62.100 0.085 0.000 1.142 433 T CB -0.888 68.016 68.868 0.059 0.000 0.866 433 T HN 0.299 nan 8.240 nan 0.000 0.444 434 F N 1.514 121.457 119.950 -0.011 0.000 2.091 434 F HA -0.146 4.381 4.527 0.000 0.000 0.299 434 F C 2.044 177.791 175.800 -0.088 0.000 1.103 434 F CA 1.265 59.214 58.000 -0.085 0.000 1.228 434 F CB -0.577 38.313 39.000 -0.183 0.000 0.984 434 F HN 0.096 nan 8.300 nan 0.000 0.477 435 Y N 0.586 121.001 120.300 0.192 0.000 2.483 435 Y HA -0.004 4.546 4.550 0.000 0.000 0.291 435 Y C 2.553 178.432 175.900 -0.036 0.000 1.143 435 Y CA 0.984 59.119 58.100 0.057 0.000 1.289 435 Y CB -1.159 37.387 38.460 0.142 0.000 0.983 435 Y HN 0.179 nan 8.280 nan 0.000 0.556 436 G N -0.451 108.412 108.800 0.105 0.000 2.598 436 G HA2 -0.155 3.805 3.960 0.000 0.000 0.215 436 G HA3 -0.155 3.805 3.960 0.000 0.000 0.215 436 G C 0.786 175.716 174.900 0.049 0.000 1.131 436 G CA -0.101 45.056 45.100 0.095 0.000 0.785 436 G HN 0.179 nan 8.290 nan 0.000 0.539 437 N N 0.819 119.476 118.700 -0.071 0.000 2.344 437 N HA 0.090 4.830 4.740 0.000 0.000 0.236 437 N C 0.584 176.040 175.510 -0.091 0.000 1.279 437 N CA 0.627 53.596 53.050 -0.134 0.000 0.882 437 N CB 0.921 39.223 38.487 -0.308 0.000 1.110 437 N HN 0.327 nan 8.380 nan 0.000 0.436 438 S N -0.123 115.522 115.700 -0.091 0.000 2.638 438 S HA 0.540 5.010 4.470 0.000 0.000 0.298 438 S C 0.729 175.299 174.600 -0.050 0.000 1.111 438 S CA -0.780 57.380 58.200 -0.066 0.000 1.027 438 S CB 1.647 64.802 63.200 -0.075 0.000 1.064 438 S HN 0.626 nan 8.310 nan 0.000 0.525 439 I N -0.011 120.545 120.570 -0.024 0.000 4.624 439 I HA 0.256 4.426 4.170 0.000 0.000 0.327 439 I C 2.068 178.206 176.117 0.035 0.000 1.295 439 I CA 0.220 61.523 61.300 0.004 0.000 1.267 439 I CB -0.156 37.860 38.000 0.027 0.000 1.249 439 I HN 0.836 nan 8.210 nan 0.000 0.440 440 A N 1.163 123.996 122.820 0.022 0.000 2.019 440 A HA -0.233 4.087 4.320 0.000 0.000 0.219 440 A C 1.707 179.397 177.584 0.177 0.000 1.164 440 A CA 1.952 54.024 52.037 0.058 0.000 0.644 440 A CB -0.562 18.423 19.000 -0.026 0.000 0.805 440 A HN 0.665 nan 8.150 nan 0.000 0.449 441 D N -0.918 119.542 120.400 0.100 0.000 2.349 441 D HA -0.069 4.571 4.640 0.000 0.000 0.224 441 D C 1.279 177.575 176.300 -0.005 0.000 1.029 441 D CA 0.338 54.392 54.000 0.091 0.000 0.879 441 D CB -0.333 40.472 40.800 0.009 0.000 0.906 441 D HN 0.460 nan 8.370 nan 0.000 0.528 442 R N 0.313 120.826 120.500 0.023 0.000 2.466 442 R HA 0.176 4.517 4.340 0.000 0.000 0.279 442 R C -0.031 176.251 176.300 -0.031 0.000 0.976 442 R CA -0.540 55.531 56.100 -0.048 0.000 1.081 442 R CB -0.124 30.164 30.300 -0.020 0.000 1.215 442 R HN 0.178 nan 8.270 nan 0.000 0.546 443 F N 1.555 121.484 119.950 -0.035 0.000 2.518 443 F HA 0.301 4.828 4.527 0.000 0.000 0.359 443 F C -2.014 173.744 175.800 -0.070 0.000 1.118 443 F CA -3.003 54.968 58.000 -0.049 0.000 1.287 443 F CB -0.234 38.739 39.000 -0.045 0.000 1.132 443 F HN -0.138 nan 8.300 nan 0.000 0.587 444 P HA 0.102 nan 4.420 nan 0.000 0.282 444 P C 0.356 177.539 177.300 -0.194 0.000 1.274 444 P CA -0.317 62.643 63.100 -0.232 0.000 0.770 444 P CB 1.300 32.752 31.700 -0.414 0.000 0.867 445 T N -1.550 112.921 114.554 -0.140 0.000 3.088 445 T HA -0.087 4.263 4.350 0.000 0.000 0.259 445 T C 1.277 175.986 174.700 0.016 0.000 1.122 445 T CA 0.606 62.732 62.100 0.042 0.000 1.095 445 T CB -0.800 68.120 68.868 0.087 0.000 0.930 445 T HN 0.583 nan 8.240 nan 0.000 0.508 446 H N 0.416 119.442 119.070 -0.074 0.000 2.517 446 H HA 0.649 5.205 4.556 0.000 0.000 0.282 446 H C 0.589 175.622 175.328 -0.492 0.000 1.023 446 H CA -0.358 55.407 56.048 -0.472 0.000 1.169 446 H CB -0.587 28.849 29.762 -0.544 0.000 1.454 446 H HN 0.420 nan 8.280 nan 0.000 0.556 447 A N 1.892 124.450 122.820 -0.437 0.000 2.498 447 A HA 0.023 4.343 4.320 0.000 0.000 0.239 447 A C 0.788 178.278 177.584 -0.156 0.000 1.068 447 A CA 0.057 51.925 52.037 -0.283 0.000 0.766 447 A CB 0.038 18.933 19.000 -0.175 0.000 1.003 447 A HN 0.604 nan 8.150 nan 0.000 0.497 448 E N 1.578 121.718 120.200 -0.099 0.000 2.332 448 E HA -0.241 4.109 4.350 0.000 0.000 0.162 448 E C -0.210 176.382 176.600 -0.014 0.000 1.637 448 E CA 1.190 57.569 56.400 -0.034 0.000 0.654 448 E CB -1.192 28.508 29.700 0.000 0.000 1.072 448 E HN 0.920 nan 8.360 nan 0.000 0.336 449 Q N 0.009 119.789 119.800 -0.033 0.000 2.494 449 Q HA -0.265 4.075 4.340 0.000 0.000 0.266 449 Q C -0.024 176.127 176.000 0.251 0.000 1.053 449 Q CA 0.938 56.795 55.803 0.091 0.000 1.029 449 Q CB -1.867 26.937 28.738 0.111 0.000 1.423 449 Q HN 0.713 nan 8.270 nan 0.000 0.516 450 F N -2.607 117.387 119.950 0.072 0.000 2.914 450 F HA -0.355 4.172 4.527 0.000 0.000 0.304 450 F C 1.347 177.178 175.800 0.051 0.000 0.712 450 F CA 1.347 59.388 58.000 0.069 0.000 1.211 450 F CB -1.806 37.234 39.000 0.067 0.000 1.515 450 F HN 0.495 nan 8.300 nan 0.000 0.350 451 N N 0.789 119.575 118.700 0.145 0.000 2.402 451 N HA -0.056 4.685 4.740 0.000 0.000 0.174 451 N C 0.659 176.212 175.510 0.072 0.000 1.027 451 N CA 0.673 53.784 53.050 0.101 0.000 0.891 451 N CB 0.114 38.645 38.487 0.074 0.000 1.016 451 N HN 0.525 nan 8.380 nan 0.000 0.439 452 Q N 1.752 121.580 119.800 0.047 0.000 3.207 452 Q HA 0.073 4.413 4.340 0.000 0.000 0.335 452 Q C 0.175 176.201 176.000 0.043 0.000 1.374 452 Q CA -0.362 55.461 55.803 0.034 0.000 1.023 452 Q CB 0.224 28.966 28.738 0.006 0.000 1.576 452 Q HN 0.426 nan 8.270 nan 0.000 0.515 453 N N 0.853 119.601 118.700 0.080 0.000 2.409 453 N HA -0.072 4.668 4.740 0.000 0.000 0.179 453 N C 0.737 176.355 175.510 0.180 0.000 1.032 453 N CA 0.468 53.600 53.050 0.135 0.000 0.898 453 N CB 0.047 38.630 38.487 0.160 0.000 0.971 453 N HN 0.471 nan 8.380 nan 0.000 0.441 454 I N -1.717 118.875 120.570 0.037 0.000 2.562 454 I HA 0.602 4.772 4.170 0.000 0.000 0.301 454 I C -1.207 174.745 176.117 -0.275 0.000 1.003 454 I CA -1.130 60.031 61.300 -0.231 0.000 1.127 454 I CB 1.932 39.736 38.000 -0.328 0.000 1.304 454 I HN 0.036 nan 8.210 nan 0.000 0.446 455 N N 1.625 120.009 118.700 -0.526 0.000 2.934 455 N HA 0.367 5.107 4.740 0.000 0.000 0.253 455 N C -0.195 175.113 175.510 -0.336 0.000 1.466 455 N CA -0.309 52.584 53.050 -0.261 0.000 0.858 455 N CB 1.546 39.991 38.487 -0.071 0.000 1.459 455 N HN 0.591 nan 8.380 nan 0.000 0.532 456 S N -2.053 113.564 115.700 -0.138 0.000 2.503 456 S HA -0.004 4.466 4.470 0.000 0.000 0.215 456 S C 0.226 174.814 174.600 -0.020 0.000 1.003 456 S CA 0.035 58.168 58.200 -0.111 0.000 0.910 456 S CB -0.431 62.729 63.200 -0.067 0.000 0.790 456 S HN 0.525 nan 8.310 nan 0.000 0.514 457 Q N 0.001 119.823 119.800 0.036 0.000 2.450 457 Q HA -0.173 4.167 4.340 0.000 0.000 0.255 457 Q C 1.008 177.062 176.000 0.090 0.000 1.003 457 Q CA 0.921 56.775 55.803 0.084 0.000 1.097 457 Q CB -2.323 26.471 28.738 0.095 0.000 1.544 457 Q HN 0.763 nan 8.270 nan 0.000 0.531 458 G N -1.009 107.842 108.800 0.086 0.000 2.484 458 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 458 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 458 G C 0.943 175.920 174.900 0.129 0.000 1.130 458 G CA 0.774 45.922 45.100 0.081 0.000 0.784 458 G HN 0.481 nan 8.290 nan 0.000 0.543 459 Y N 2.119 122.444 120.300 0.042 0.000 2.231 459 Y HA -0.072 4.479 4.550 0.000 0.000 0.294 459 Y C 3.124 179.063 175.900 0.066 0.000 1.120 459 Y CA 2.031 60.162 58.100 0.051 0.000 1.141 459 Y CB -0.265 38.231 38.460 0.061 0.000 1.022 459 Y HN 0.226 nan 8.280 nan 0.000 0.523 460 T N -3.105 111.563 114.554 0.190 0.000 2.821 460 T HA -0.164 4.186 4.350 0.000 0.000 0.267 460 T C 2.202 176.931 174.700 0.049 0.000 1.046 460 T CA 1.316 63.488 62.100 0.121 0.000 1.139 460 T CB -0.922 68.069 68.868 0.204 0.000 0.871 460 T HN 0.277 nan 8.240 nan 0.000 0.454 461 S N 1.345 117.075 115.700 0.050 0.000 2.383 461 S HA -0.017 4.453 4.470 0.000 0.000 0.229 461 S C 2.400 176.992 174.600 -0.014 0.000 1.030 461 S CA 1.304 59.517 58.200 0.021 0.000 1.002 461 S CB -0.901 62.306 63.200 0.011 0.000 0.829 461 S HN 0.752 nan 8.310 nan 0.000 0.467 462 A N 0.743 123.535 122.820 -0.046 0.000 1.897 462 A HA -0.047 4.273 4.320 0.000 0.000 0.215 462 A C 2.429 179.941 177.584 -0.121 0.000 1.181 462 A CA 2.161 54.150 52.037 -0.080 0.000 0.620 462 A CB -1.545 17.396 19.000 -0.098 0.000 0.821 462 A HN 0.744 nan 8.150 nan 0.000 0.443 463 T N -1.278 113.166 114.554 -0.184 0.000 2.833 463 T HA -0.082 4.268 4.350 0.000 0.000 0.269 463 T C 1.834 176.483 174.700 -0.084 0.000 1.054 463 T CA 1.410 63.413 62.100 -0.163 0.000 1.135 463 T CB -0.576 68.171 68.868 -0.201 0.000 0.869 463 T HN 0.270 nan 8.240 nan 0.000 0.466 464 L N 1.001 122.202 121.223 -0.036 0.000 2.017 464 L HA -0.021 4.319 4.340 0.000 0.000 0.208 464 L C 3.357 180.177 176.870 -0.083 0.000 1.073 464 L CA 1.353 56.181 54.840 -0.022 0.000 0.745 464 L CB -0.828 41.274 42.059 0.072 0.000 0.894 464 L HN 0.397 nan 8.230 nan 0.000 0.432 465 A N 0.138 122.929 122.820 -0.049 0.000 1.908 465 A HA -0.287 4.033 4.320 0.000 0.000 0.218 465 A C 2.298 179.852 177.584 -0.050 0.000 1.181 465 A CA 2.018 54.032 52.037 -0.039 0.000 0.627 465 A CB -0.542 18.450 19.000 -0.013 0.000 0.818 465 A HN 0.328 nan 8.150 nan 0.000 0.445 466 R N 0.233 120.698 120.500 -0.060 0.000 2.091 466 R HA -0.174 4.166 4.340 0.000 0.000 0.238 466 R C 2.151 178.409 176.300 -0.070 0.000 1.136 466 R CA 2.229 58.299 56.100 -0.050 0.000 0.959 466 R CB -0.623 29.639 30.300 -0.063 0.000 0.856 466 R HN 0.476 nan 8.270 nan 0.000 0.437 467 R N -0.124 120.293 120.500 -0.138 0.000 2.066 467 R HA 0.068 4.408 4.340 0.000 0.000 0.232 467 R C 2.167 178.331 176.300 -0.227 0.000 1.131 467 R CA 2.111 58.084 56.100 -0.212 0.000 0.955 467 R CB -0.783 29.306 30.300 -0.351 0.000 0.851 467 R HN 0.240 nan 8.270 nan 0.000 0.432 468 S N -0.458 115.094 115.700 -0.248 0.000 2.365 468 S HA -0.137 4.333 4.470 0.000 0.000 0.225 468 S C 1.847 176.471 174.600 0.039 0.000 1.039 468 S CA 1.531 59.664 58.200 -0.110 0.000 1.033 468 S CB -0.302 62.864 63.200 -0.057 0.000 0.887 468 S HN 0.198 nan 8.310 nan 0.000 0.447 469 V N 2.085 122.030 119.914 0.052 0.000 2.307 469 V HA -0.159 3.961 4.120 0.000 0.000 0.245 469 V C 2.037 178.214 176.094 0.138 0.000 1.045 469 V CA 1.808 64.193 62.300 0.141 0.000 1.024 469 V CB -0.737 31.152 31.823 0.110 0.000 0.651 469 V HN 0.372 nan 8.190 nan 0.000 0.449 470 D N 0.141 120.581 120.400 0.067 0.000 2.123 470 D HA -0.140 4.500 4.640 0.000 0.000 0.196 470 D C 2.019 178.372 176.300 0.087 0.000 0.992 470 D CA 1.409 55.444 54.000 0.058 0.000 0.833 470 D CB -0.245 40.568 40.800 0.021 0.000 0.954 470 D HN 0.411 nan 8.370 nan 0.000 0.455 471 I N 0.009 120.639 120.570 0.100 0.000 2.252 471 I HA -0.236 3.934 4.170 0.000 0.000 0.245 471 I C 2.119 178.394 176.117 0.263 0.000 1.102 471 I CA 0.538 61.932 61.300 0.157 0.000 1.385 471 I CB -0.153 37.935 38.000 0.146 0.000 1.064 471 I HN -0.103 nan 8.210 nan 0.000 0.414 472 F N 1.655 121.661 119.950 0.093 0.000 2.269 472 F HA -0.201 4.326 4.527 0.000 0.000 0.301 472 F C 2.450 178.340 175.800 0.151 0.000 1.082 472 F CA 1.532 59.609 58.000 0.128 0.000 1.360 472 F CB -0.482 38.568 39.000 0.082 0.000 1.041 472 F HN 0.108 nan 8.300 nan 0.000 0.512 473 Q N -0.266 119.563 119.800 0.049 0.000 2.123 473 Q HA -0.178 4.162 4.340 0.000 0.000 0.199 473 Q C 1.946 177.930 176.000 -0.026 0.000 0.966 473 Q CA 1.712 57.484 55.803 -0.052 0.000 0.845 473 Q CB -0.287 28.455 28.738 0.007 0.000 0.907 473 Q HN 0.550 nan 8.270 nan 0.000 0.439 474 N N -0.500 118.230 118.700 0.049 0.000 2.120 474 N HA -0.200 4.540 4.740 0.000 0.000 0.188 474 N C 1.556 177.098 175.510 0.054 0.000 1.024 474 N CA 0.970 54.054 53.050 0.056 0.000 0.852 474 N CB -0.140 38.400 38.487 0.089 0.000 1.003 474 N HN 0.208 nan 8.380 nan 0.000 0.424 475 Y N 1.689 122.007 120.300 0.031 0.000 2.128 475 Y HA -0.227 4.323 4.550 0.000 0.000 0.284 475 Y C 2.176 178.048 175.900 -0.046 0.000 1.154 475 Y CA 1.220 59.350 58.100 0.049 0.000 1.149 475 Y CB -0.416 38.153 38.460 0.181 0.000 0.976 475 Y HN -0.172 nan 8.280 nan 0.000 0.505 476 V N 0.415 120.275 119.914 -0.090 0.000 2.287 476 V HA -0.372 3.748 4.120 0.000 0.000 0.248 476 V C 2.684 178.681 176.094 -0.161 0.000 1.053 476 V CA 1.809 63.987 62.300 -0.203 0.000 1.027 476 V CB -1.632 29.963 31.823 -0.381 0.000 0.646 476 V HN 0.597 nan 8.190 nan 0.000 0.447 477 A N -0.009 122.739 122.820 -0.120 0.000 1.927 477 A HA -0.277 4.043 4.320 0.000 0.000 0.220 477 A C 2.167 179.711 177.584 -0.066 0.000 1.185 477 A CA 2.466 54.459 52.037 -0.075 0.000 0.639 477 A CB -0.662 18.314 19.000 -0.039 0.000 0.820 477 A HN 0.550 nan 8.150 nan 0.000 0.451 478 I N -0.578 119.922 120.570 -0.116 0.000 2.252 478 I HA -0.261 3.909 4.170 0.000 0.000 0.245 478 I C 2.966 179.072 176.117 -0.019 0.000 1.102 478 I CA 0.995 62.246 61.300 -0.082 0.000 1.385 478 I CB -0.383 37.508 38.000 -0.182 0.000 1.064 478 I HN 0.371 nan 8.210 nan 0.000 0.414 479 A N 0.929 123.643 122.820 -0.177 0.000 1.933 479 A HA -0.067 4.253 4.320 0.000 0.000 0.218 479 A C 1.536 179.131 177.584 0.019 0.000 1.175 479 A CA 0.958 52.945 52.037 -0.083 0.000 0.628 479 A CB -0.734 18.190 19.000 -0.127 0.000 0.814 479 A HN 0.252 nan 8.150 nan 0.000 0.444 483 G N 0.683 109.626 108.800 0.239 0.000 2.433 483 G HA2 -0.180 3.780 3.960 0.000 0.000 0.216 483 G HA3 -0.180 3.780 3.960 0.000 0.000 0.216 483 G C 1.595 176.605 174.900 0.183 0.000 1.186 483 G CA 1.670 46.872 45.100 0.170 0.000 0.779 483 G HN 0.181 nan 8.290 nan 0.000 0.543 484 V N 0.882 120.887 119.914 0.151 0.000 2.252 484 V HA -0.301 3.819 4.120 0.000 0.000 0.249 484 V C 2.816 179.071 176.094 0.269 0.000 1.056 484 V CA 2.587 64.988 62.300 0.168 0.000 1.022 484 V CB -0.658 31.057 31.823 -0.179 0.000 0.641 484 V HN 0.493 nan 8.190 nan 0.000 0.445 485 Q N 0.382 120.359 119.800 0.295 0.000 2.061 485 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 485 Q C 2.133 178.278 176.000 0.241 0.000 0.984 485 Q CA 2.466 58.446 55.803 0.294 0.000 0.846 485 Q CB -0.719 28.123 28.738 0.173 0.000 0.902 485 Q HN 0.588 nan 8.270 nan 0.000 0.421 486 A N -0.008 122.947 122.820 0.225 0.000 1.892 486 A HA -0.186 4.134 4.320 0.000 0.000 0.218 486 A C 2.215 179.915 177.584 0.193 0.000 1.188 486 A CA 2.375 54.538 52.037 0.209 0.000 0.631 486 A CB -1.343 17.784 19.000 0.211 0.000 0.822 486 A HN 0.629 nan 8.150 nan 0.000 0.447 487 V N -2.462 117.566 119.914 0.190 0.000 2.970 487 V HA -0.116 4.004 4.120 0.000 0.000 0.260 487 V C 1.535 177.719 176.094 0.150 0.000 1.100 487 V CA 2.319 64.700 62.300 0.136 0.000 1.122 487 V CB -0.752 31.116 31.823 0.074 0.000 0.721 487 V HN 0.341 nan 8.190 nan 0.000 0.483 488 D N 0.873 121.425 120.400 0.254 0.000 2.162 488 D HA 0.042 4.682 4.640 0.000 0.000 0.203 488 D C 2.068 178.587 176.300 0.365 0.000 0.967 488 D CA 1.368 55.562 54.000 0.324 0.000 0.840 488 D CB -0.158 40.883 40.800 0.403 0.000 0.972 488 D HN 0.458 nan 8.370 nan 0.000 0.482 489 L N 0.060 121.482 121.223 0.330 0.000 2.217 489 L HA -0.019 4.321 4.340 0.000 0.000 0.211 489 L C 2.361 179.376 176.870 0.243 0.000 1.107 489 L CA 0.452 55.495 54.840 0.338 0.000 0.783 489 L CB -0.172 42.051 42.059 0.273 0.000 0.919 489 L HN -0.048 nan 8.230 nan 0.000 0.442 490 R N 0.735 121.334 120.500 0.164 0.000 2.055 490 R HA -0.094 4.246 4.340 0.000 0.000 0.228 490 R C 2.198 178.515 176.300 0.028 0.000 1.143 490 R CA 2.185 58.340 56.100 0.092 0.000 0.945 490 R CB -1.097 29.248 30.300 0.075 0.000 0.841 490 R HN 0.076 nan 8.270 nan 0.000 0.429 491 T N 0.449 115.005 114.554 0.003 0.000 2.751 491 T HA -0.245 4.105 4.350 0.000 0.000 0.268 491 T C 1.383 175.959 174.700 -0.206 0.000 1.045 491 T CA 1.877 63.912 62.100 -0.107 0.000 1.142 491 T CB -0.560 68.248 68.868 -0.100 0.000 0.851 491 T HN 0.376 nan 8.240 nan 0.000 0.474 492 Y N 1.466 121.624 120.300 -0.238 0.000 2.263 492 Y HA 0.028 4.579 4.550 0.000 0.000 0.292 492 Y C 2.341 178.107 175.900 -0.223 0.000 1.130 492 Y CA 1.056 58.931 58.100 -0.375 0.000 1.179 492 Y CB -0.104 38.038 38.460 -0.530 0.000 0.998 492 Y HN 0.011 nan 8.280 nan 0.000 0.532 493 K N 0.252 120.581 120.400 -0.118 0.000 2.057 493 K HA -0.225 4.095 4.320 0.000 0.000 0.207 493 K C 2.252 178.727 176.600 -0.209 0.000 1.049 493 K CA 1.676 57.880 56.287 -0.139 0.000 0.931 493 K CB -0.121 32.378 32.500 -0.001 0.000 0.714 493 K HN 0.240 nan 8.250 nan 0.000 0.440 494 K N -0.030 120.260 120.400 -0.183 0.000 2.076 494 K HA -0.092 4.228 4.320 0.000 0.000 0.204 494 K C 1.704 178.180 176.600 -0.207 0.000 1.051 494 K CA 1.808 58.000 56.287 -0.159 0.000 0.949 494 K CB 0.220 32.649 32.500 -0.118 0.000 0.726 494 K HN 0.256 nan 8.250 nan 0.000 0.443 495 T N -5.440 108.928 114.554 -0.311 0.000 2.969 495 T HA 0.248 4.598 4.350 0.000 0.000 0.258 495 T C 1.129 175.628 174.700 -0.335 0.000 0.962 495 T CA 0.571 62.493 62.100 -0.298 0.000 0.903 495 T CB 0.996 69.638 68.868 -0.376 0.000 1.177 495 T HN 0.299 nan 8.240 nan 0.000 0.511 496 G N 1.968 110.435 108.800 -0.556 0.000 2.176 496 G HA2 -0.171 3.789 3.960 0.000 0.000 0.253 496 G HA3 -0.171 3.789 3.960 0.000 0.000 0.253 496 G C -0.055 174.694 174.900 -0.252 0.000 0.979 496 G CA 0.522 45.249 45.100 -0.621 0.000 0.641 496 G HN 1.198 nan 8.290 nan 0.000 0.530 497 H N -2.926 116.048 119.070 -0.161 0.000 2.812 497 H HA 0.752 5.308 4.556 0.000 0.000 0.355 497 H C 0.246 175.539 175.328 -0.058 0.000 1.207 497 H CA -1.536 54.486 56.048 -0.044 0.000 1.217 497 H CB 0.713 30.483 29.762 0.014 0.000 1.874 497 H HN 0.026 nan 8.280 nan 0.000 0.581 498 Y N -1.367 119.162 120.300 0.381 0.000 2.531 498 Y HA 0.166 4.716 4.550 0.000 0.000 0.249 498 Y C 0.196 176.260 175.900 0.273 0.000 1.168 498 Y CA -0.479 57.774 58.100 0.255 0.000 1.226 498 Y CB 0.919 39.466 38.460 0.145 0.000 1.177 498 Y HN 0.619 nan 8.280 nan 0.000 0.527 499 D N 1.090 121.814 120.400 0.539 0.000 2.422 499 D HA 0.220 4.860 4.640 0.000 0.000 0.227 499 D C 1.030 177.466 176.300 0.228 0.000 1.190 499 D CA 0.159 54.374 54.000 0.358 0.000 0.905 499 D CB 1.301 42.240 40.800 0.232 0.000 1.034 499 D HN 0.346 nan 8.370 nan 0.000 0.507 500 A N 4.700 127.551 122.820 0.051 0.000 2.125 500 A HA -0.164 4.156 4.320 0.000 0.000 0.219 500 A C 2.103 179.512 177.584 -0.291 0.000 1.156 500 A CA 0.830 52.731 52.037 -0.227 0.000 0.671 500 A CB -0.082 18.583 19.000 -0.559 0.000 0.794 500 A HN 0.550 nan 8.150 nan 0.000 0.459 501 R N -0.451 119.932 120.500 -0.194 0.000 2.083 501 R HA -0.131 4.209 4.340 0.000 0.000 0.237 501 R C 2.401 178.658 176.300 -0.071 0.000 1.137 501 R CA 1.420 57.438 56.100 -0.138 0.000 0.951 501 R CB -0.430 29.884 30.300 0.023 0.000 0.851 501 R HN 0.495 nan 8.270 nan 0.000 0.434 502 A N 0.092 122.903 122.820 -0.015 0.000 2.014 502 A HA -0.047 4.273 4.320 0.000 0.000 0.218 502 A C 2.032 179.606 177.584 -0.016 0.000 1.163 502 A CA 1.236 53.271 52.037 -0.003 0.000 0.652 502 A CB -0.065 18.952 19.000 0.028 0.000 0.808 502 A HN 0.191 nan 8.150 nan 0.000 0.449 503 S N -0.605 115.075 115.700 -0.033 0.000 2.470 503 S HA 0.228 4.698 4.470 0.000 0.000 0.225 503 S C 0.658 175.222 174.600 -0.060 0.000 1.006 503 S CA -0.047 58.127 58.200 -0.044 0.000 0.934 503 S CB -0.249 62.918 63.200 -0.055 0.000 0.778 503 S HN 0.451 nan 8.310 nan 0.000 0.517 504 L N 2.327 123.494 121.223 -0.093 0.000 2.439 504 L HA 0.264 4.604 4.340 0.000 0.000 0.261 504 L C 0.646 177.481 176.870 -0.058 0.000 1.153 504 L CA -0.729 54.056 54.840 -0.092 0.000 0.808 504 L CB 0.501 42.468 42.059 -0.154 0.000 1.126 504 L HN 0.137 nan 8.230 nan 0.000 0.460 505 S N 0.944 116.617 115.700 -0.044 0.000 2.558 505 S HA 0.058 4.528 4.470 0.000 0.000 0.288 505 S C -1.894 172.686 174.600 -0.035 0.000 1.318 505 S CA -1.028 57.151 58.200 -0.034 0.000 1.056 505 S CB 0.467 63.647 63.200 -0.034 0.000 0.853 505 S HN 0.435 nan 8.310 nan 0.000 0.505 506 P HA -0.213 nan 4.420 nan 0.000 0.218 506 P C 1.607 178.895 177.300 -0.019 0.000 1.154 506 P CA 2.106 65.192 63.100 -0.022 0.000 0.872 506 P CB -0.187 31.501 31.700 -0.019 0.000 0.790 507 A N -0.614 122.190 122.820 -0.027 0.000 1.877 507 A HA -0.193 4.128 4.320 0.000 0.000 0.216 507 A C 2.246 179.820 177.584 -0.017 0.000 1.186 507 A CA 2.676 54.697 52.037 -0.028 0.000 0.620 507 A CB -1.952 17.021 19.000 -0.046 0.000 0.822 507 A HN 0.361 nan 8.150 nan 0.000 0.443 508 T N -2.809 111.734 114.554 -0.018 0.000 3.085 508 T HA -0.027 4.324 4.350 0.000 0.000 0.263 508 T C 1.599 176.317 174.700 0.031 0.000 1.127 508 T CA 1.180 63.281 62.100 0.002 0.000 1.103 508 T CB -0.032 68.834 68.868 -0.005 0.000 0.921 508 T HN 0.449 nan 8.240 nan 0.000 0.510 509 E N 1.975 122.180 120.200 0.008 0.000 2.106 509 E HA -0.121 4.229 4.350 0.000 0.000 0.192 509 E C 2.295 178.952 176.600 0.094 0.000 0.984 509 E CA 0.767 57.186 56.400 0.032 0.000 0.806 509 E CB -0.171 29.521 29.700 -0.013 0.000 0.750 509 E HN 0.576 nan 8.360 nan 0.000 0.458 510 R N 0.159 120.686 120.500 0.046 0.000 2.083 510 R HA -0.176 4.164 4.340 0.000 0.000 0.237 510 R C 2.592 178.917 176.300 0.042 0.000 1.137 510 R CA 1.561 57.681 56.100 0.034 0.000 0.951 510 R CB -0.503 29.801 30.300 0.008 0.000 0.851 510 R HN 0.160 nan 8.270 nan 0.000 0.434 511 L N 0.009 121.259 121.223 0.045 0.000 2.056 511 L HA -0.173 4.167 4.340 0.000 0.000 0.207 511 L C 2.151 179.054 176.870 0.055 0.000 1.078 511 L CA 1.591 56.451 54.840 0.033 0.000 0.749 511 L CB -0.705 41.367 42.059 0.022 0.000 0.901 511 L HN 0.136 nan 8.230 nan 0.000 0.433 512 Y N -0.223 120.053 120.300 -0.041 0.000 2.097 512 Y HA -0.287 4.264 4.550 0.000 0.000 0.282 512 Y C 2.549 178.416 175.900 -0.056 0.000 1.152 512 Y CA 2.212 60.282 58.100 -0.050 0.000 1.136 512 Y CB -0.416 38.027 38.460 -0.027 0.000 0.975 512 Y HN 0.246 nan 8.280 nan 0.000 0.498 513 S N 0.391 116.170 115.700 0.131 0.000 2.402 513 S HA -0.151 4.319 4.470 0.000 0.000 0.229 513 S C 2.213 176.783 174.600 -0.050 0.000 1.021 513 S CA 0.822 59.027 58.200 0.009 0.000 0.974 513 S CB -0.711 62.549 63.200 0.099 0.000 0.800 513 S HN 0.660 nan 8.310 nan 0.000 0.484 514 A N 1.186 123.989 122.820 -0.029 0.000 1.908 514 A HA -0.070 4.250 4.320 0.000 0.000 0.218 514 A C 2.302 179.859 177.584 -0.045 0.000 1.181 514 A CA 1.585 53.611 52.037 -0.019 0.000 0.627 514 A CB -0.861 18.127 19.000 -0.020 0.000 0.818 514 A HN 0.358 nan 8.150 nan 0.000 0.445 515 V N -0.022 119.810 119.914 -0.135 0.000 2.427 515 V HA -0.186 3.934 4.120 0.000 0.000 0.248 515 V C 2.687 178.602 176.094 -0.299 0.000 1.051 515 V CA 1.870 64.043 62.300 -0.211 0.000 1.048 515 V CB -0.762 30.900 31.823 -0.268 0.000 0.666 515 V HN 0.447 nan 8.190 nan 0.000 0.456 516 R N -0.488 119.798 120.500 -0.357 0.000 2.093 516 R HA -0.097 4.243 4.340 0.000 0.000 0.224 516 R C 2.227 178.401 176.300 -0.209 0.000 1.101 516 R CA 1.531 57.405 56.100 -0.377 0.000 0.979 516 R CB -0.883 29.145 30.300 -0.453 0.000 0.877 516 R HN 0.696 nan 8.270 nan 0.000 0.441 517 H N 1.015 119.969 119.070 -0.193 0.000 2.289 517 H HA -0.094 4.463 4.556 0.000 0.000 0.296 517 H C 1.920 177.169 175.328 -0.130 0.000 1.091 517 H CA 2.249 58.219 56.048 -0.130 0.000 1.274 517 H CB -0.189 29.516 29.762 -0.096 0.000 1.364 517 H HN -0.118 nan 8.280 nan 0.000 0.490 518 V N 0.575 120.340 119.914 -0.248 0.000 2.343 518 V HA -0.240 3.880 4.120 0.000 0.000 0.247 518 V C 2.742 178.665 176.094 -0.285 0.000 1.051 518 V CA 1.666 63.812 62.300 -0.257 0.000 1.036 518 V CB -0.568 31.192 31.823 -0.106 0.000 0.654 518 V HN 0.660 nan 8.190 nan 0.000 0.451 519 V N -1.389 118.343 119.914 -0.303 0.000 2.871 519 V HA 0.368 4.488 4.120 0.000 0.000 0.256 519 V C 1.550 177.441 176.094 -0.339 0.000 1.082 519 V CA 1.092 63.160 62.300 -0.387 0.000 1.105 519 V CB -0.636 30.878 31.823 -0.515 0.000 0.713 519 V HN 0.861 nan 8.190 nan 0.000 0.473 520 G N -0.153 108.482 108.800 -0.276 0.000 2.171 520 G HA2 -0.215 3.745 3.960 0.000 0.000 0.238 520 G HA3 -0.215 3.745 3.960 0.000 0.000 0.238 520 G C -0.046 174.783 174.900 -0.118 0.000 1.039 520 G CA 0.402 45.383 45.100 -0.197 0.000 0.759 520 G HN 0.753 nan 8.290 nan 0.000 0.501 521 Q N 0.242 119.977 119.800 -0.108 0.000 2.347 521 Q HA 0.382 4.722 4.340 0.000 0.000 0.265 521 Q C 0.117 176.090 176.000 -0.046 0.000 1.024 521 Q CA -0.442 55.347 55.803 -0.023 0.000 0.731 521 Q CB 0.806 29.605 28.738 0.102 0.000 1.245 521 Q HN 0.497 nan 8.270 nan 0.000 0.472 522 K N 3.547 123.933 120.400 -0.024 0.000 2.326 522 K HA 0.285 4.605 4.320 0.000 0.000 0.275 522 K C -2.297 174.310 176.600 0.011 0.000 1.018 522 K CA -1.422 54.857 56.287 -0.015 0.000 0.962 522 K CB 0.360 32.860 32.500 0.001 0.000 0.953 522 K HN 0.305 nan 8.250 nan 0.000 0.475 523 P HA 0.035 nan 4.420 nan 0.000 0.267 523 P C -1.106 176.257 177.300 0.104 0.000 1.209 523 P CA 0.057 63.235 63.100 0.130 0.000 0.763 523 P CB 0.862 32.712 31.700 0.250 0.000 0.816 524 T N 0.710 115.330 114.554 0.110 0.000 2.900 524 T HA 0.237 4.587 4.350 0.000 0.000 0.295 524 T C 1.241 176.017 174.700 0.127 0.000 1.044 524 T CA -0.411 61.731 62.100 0.069 0.000 0.995 524 T CB 1.492 70.365 68.868 0.010 0.000 1.072 524 T HN 0.292 nan 8.240 nan 0.000 0.473 525 S N 0.926 116.676 115.700 0.082 0.000 2.406 525 S HA -0.120 4.350 4.470 0.000 0.000 0.228 525 S C 1.189 175.920 174.600 0.218 0.000 1.020 525 S CA 1.028 59.312 58.200 0.141 0.000 0.965 525 S CB -0.324 62.844 63.200 -0.053 0.000 0.798 525 S HN 0.679 nan 8.310 nan 0.000 0.488 526 D N 1.600 122.050 120.400 0.083 0.000 2.178 526 D HA 0.017 4.657 4.640 0.000 0.000 0.201 526 D C 0.611 176.820 176.300 -0.151 0.000 0.980 526 D CA 1.044 55.040 54.000 -0.007 0.000 0.842 526 D CB 0.015 40.743 40.800 -0.120 0.000 0.948 526 D HN 0.329 nan 8.370 nan 0.000 0.472 527 R N -0.069 120.320 120.500 -0.185 0.000 2.584 527 R HA 0.345 4.685 4.340 0.000 0.000 0.276 527 R C -2.614 173.481 176.300 -0.341 0.000 1.046 527 R CA -1.558 54.193 56.100 -0.581 0.000 0.906 527 R CB 2.499 32.501 30.300 -0.495 0.000 1.215 527 R HN -0.018 nan 8.270 nan 0.000 0.449 528 P HA 0.077 nan 4.420 nan 0.000 0.293 528 P C 0.533 177.870 177.300 0.063 0.000 1.304 528 P CA -0.433 62.612 63.100 -0.091 0.000 0.767 528 P CB 0.608 32.235 31.700 -0.121 0.000 1.247 529 Y N 0.558 120.869 120.300 0.018 0.000 2.114 529 Y HA -0.107 4.443 4.550 0.000 0.000 0.282 529 Y C 0.755 176.664 175.900 0.014 0.000 1.165 529 Y CA 1.529 59.631 58.100 0.003 0.000 1.148 529 Y CB -0.359 38.100 38.460 -0.002 0.000 0.972 529 Y HN 0.035 nan 8.280 nan 0.000 0.504 530 I N 0.341 120.812 120.570 -0.165 0.000 2.411 530 I HA -0.020 4.150 4.170 0.000 0.000 0.284 530 I C 0.574 176.667 176.117 -0.040 0.000 1.012 530 I CA -0.978 60.175 61.300 -0.246 0.000 1.119 530 I CB 0.251 38.010 38.000 -0.402 0.000 1.261 530 I HN 0.500 nan 8.210 nan 0.000 0.448 531 W N 6.416 127.577 121.300 -0.232 0.000 2.916 531 W HA 0.155 4.816 4.660 0.000 0.000 0.289 531 W C 0.062 176.477 176.519 -0.175 0.000 1.036 531 W CA 0.360 57.574 57.345 -0.220 0.000 1.776 531 W CB 0.535 29.875 29.460 -0.199 0.000 1.176 531 W HN 0.348 nan 8.180 nan 0.000 0.534 532 N N 1.690 120.317 118.700 -0.122 0.000 2.417 532 N HA 0.051 4.791 4.740 0.000 0.000 0.300 532 N C 0.195 175.612 175.510 -0.156 0.000 1.102 532 N CA -0.128 52.790 53.050 -0.220 0.000 0.886 532 N CB 1.534 39.935 38.487 -0.143 0.000 1.203 532 N HN 0.024 nan 8.380 nan 0.000 0.496 533 D N 0.300 120.599 120.400 -0.168 0.000 2.178 533 D HA -0.151 4.489 4.640 0.000 0.000 0.201 533 D C 1.029 177.253 176.300 -0.127 0.000 0.980 533 D CA 1.341 55.250 54.000 -0.152 0.000 0.842 533 D CB -0.061 40.657 40.800 -0.137 0.000 0.948 533 D HN 0.605 nan 8.370 nan 0.000 0.472 534 N N 0.412 119.052 118.700 -0.100 0.000 2.362 534 N HA -0.047 4.693 4.740 0.000 0.000 0.204 534 N C 0.659 176.133 175.510 -0.060 0.000 1.166 534 N CA 0.159 53.163 53.050 -0.076 0.000 0.831 534 N CB -0.124 38.327 38.487 -0.061 0.000 1.008 534 N HN 0.191 nan 8.380 nan 0.000 0.472 535 E N -0.538 119.624 120.200 -0.064 0.000 2.460 535 E HA 0.040 4.391 4.350 0.000 0.000 0.200 535 E C 0.004 176.577 176.600 -0.044 0.000 1.011 535 E CA 0.168 56.547 56.400 -0.035 0.000 0.912 535 E CB 0.234 29.932 29.700 -0.003 0.000 0.953 535 E HN 0.509 nan 8.360 nan 0.000 0.494 536 Q N -0.454 119.286 119.800 -0.099 0.000 2.435 536 Q HA 0.410 4.750 4.340 0.000 0.000 0.282 536 Q C -0.556 175.326 176.000 -0.198 0.000 1.020 536 Q CA -0.999 54.722 55.803 -0.136 0.000 0.820 536 Q CB 0.880 29.488 28.738 -0.217 0.000 1.436 536 Q HN 0.018 nan 8.270 nan 0.000 0.395 537 G N 1.725 110.417 108.800 -0.179 0.000 2.329 537 G HA2 0.452 4.412 3.960 0.000 0.000 0.309 537 G HA3 0.452 4.412 3.960 0.000 0.000 0.309 537 G C 0.458 175.184 174.900 -0.291 0.000 1.110 537 G CA -0.584 44.413 45.100 -0.171 0.000 0.923 537 G HN 0.571 nan 8.290 nan 0.000 0.430 538 L N 1.996 123.034 121.223 -0.308 0.000 2.141 538 L HA -0.069 4.271 4.340 0.000 0.000 0.209 538 L C 2.720 179.509 176.870 -0.135 0.000 1.094 538 L CA 1.212 55.852 54.840 -0.333 0.000 0.763 538 L CB -0.180 41.721 42.059 -0.263 0.000 0.908 538 L HN 0.664 nan 8.230 nan 0.000 0.437 539 D N 0.221 120.571 120.400 -0.083 0.000 2.172 539 D HA -0.301 4.339 4.640 0.000 0.000 0.196 539 D C 1.746 178.055 176.300 0.016 0.000 0.999 539 D CA 1.625 55.611 54.000 -0.023 0.000 0.856 539 D CB -0.324 40.464 40.800 -0.019 0.000 0.934 539 D HN 0.380 nan 8.370 nan 0.000 0.453 540 E N -0.698 119.520 120.200 0.030 0.000 2.106 540 E HA -0.151 4.199 4.350 0.000 0.000 0.192 540 E C 2.215 178.924 176.600 0.182 0.000 0.984 540 E CA 0.879 57.337 56.400 0.098 0.000 0.806 540 E CB -0.088 29.683 29.700 0.118 0.000 0.750 540 E HN 0.596 nan 8.360 nan 0.000 0.458 541 H N -0.320 118.747 119.070 -0.004 0.000 2.357 541 H HA -0.074 4.482 4.556 0.000 0.000 0.301 541 H C 2.252 177.581 175.328 0.002 0.000 1.082 541 H CA 0.886 56.943 56.048 0.015 0.000 1.342 541 H CB 0.108 29.910 29.762 0.067 0.000 1.389 541 H HN 0.149 nan 8.280 nan 0.000 0.511 542 I N 1.078 121.724 120.570 0.127 0.000 2.127 542 I HA -0.279 3.891 4.170 0.000 0.000 0.241 542 I C 2.907 179.046 176.117 0.037 0.000 1.075 542 I CA 1.043 62.376 61.300 0.055 0.000 1.334 542 I CB -0.321 37.698 38.000 0.031 0.000 1.040 542 I HN 0.234 nan 8.210 nan 0.000 0.405 543 A N 0.618 123.461 122.820 0.039 0.000 1.908 543 A HA -0.240 4.080 4.320 0.000 0.000 0.218 543 A C 2.403 179.994 177.584 0.012 0.000 1.181 543 A CA 1.785 53.837 52.037 0.025 0.000 0.627 543 A CB -0.623 18.391 19.000 0.024 0.000 0.818 543 A HN 0.339 nan 8.150 nan 0.000 0.445 544 R N -0.753 119.753 120.500 0.009 0.000 2.073 544 R HA 0.027 4.367 4.340 0.000 0.000 0.229 544 R C 2.047 178.327 176.300 -0.034 0.000 1.120 544 R CA 1.462 57.549 56.100 -0.022 0.000 0.967 544 R CB -0.424 29.844 30.300 -0.053 0.000 0.862 544 R HN 0.589 nan 8.270 nan 0.000 0.436 545 I N 0.276 120.827 120.570 -0.032 0.000 2.179 545 I HA -0.291 3.879 4.170 0.000 0.000 0.242 545 I C 2.222 178.322 176.117 -0.028 0.000 1.088 545 I CA 1.221 62.497 61.300 -0.040 0.000 1.357 545 I CB -0.334 37.640 38.000 -0.044 0.000 1.051 545 I HN 0.089 nan 8.210 nan 0.000 0.409 546 S N 0.846 116.536 115.700 -0.016 0.000 2.359 546 S HA -0.273 4.197 4.470 0.000 0.000 0.223 546 S C 2.241 176.839 174.600 -0.003 0.000 1.039 546 S CA 1.716 59.910 58.200 -0.010 0.000 1.042 546 S CB -0.501 62.701 63.200 0.005 0.000 0.915 546 S HN 0.578 nan 8.310 nan 0.000 0.439 547 A N 0.938 123.757 122.820 -0.001 0.000 1.969 547 A HA -0.151 4.169 4.320 0.000 0.000 0.218 547 A C 1.851 179.437 177.584 0.003 0.000 1.169 547 A CA 1.920 53.958 52.037 0.003 0.000 0.635 547 A CB -0.772 18.229 19.000 0.001 0.000 0.810 547 A HN 0.546 nan 8.150 nan 0.000 0.445 548 D N -0.139 120.258 120.400 -0.005 0.000 2.084 548 D HA -0.130 4.510 4.640 0.000 0.000 0.194 548 D C 1.791 178.094 176.300 0.004 0.000 0.990 548 D CA 1.551 55.550 54.000 -0.001 0.000 0.826 548 D CB -0.185 40.610 40.800 -0.009 0.000 0.971 548 D HN 0.465 nan 8.370 nan 0.000 0.453 549 I N 0.759 121.326 120.570 -0.006 0.000 2.118 549 I HA -0.332 3.838 4.170 0.000 0.000 0.241 549 I C 2.545 178.673 176.117 0.019 0.000 1.070 549 I CA 1.315 62.612 61.300 -0.005 0.000 1.327 549 I CB -0.574 37.410 38.000 -0.027 0.000 1.034 549 I HN 0.079 nan 8.210 nan 0.000 0.405 550 A N 0.645 123.479 122.820 0.022 0.000 1.948 550 A HA -0.182 4.138 4.320 0.000 0.000 0.220 550 A C 2.358 179.972 177.584 0.051 0.000 1.177 550 A CA 2.081 54.142 52.037 0.040 0.000 0.636 550 A CB -0.749 18.270 19.000 0.031 0.000 0.815 550 A HN 0.508 nan 8.150 nan 0.000 0.449 551 A N -1.839 121.003 122.820 0.038 0.000 2.251 551 A HA 0.423 4.743 4.320 0.000 0.000 0.209 551 A C 1.709 179.324 177.584 0.051 0.000 1.187 551 A CA 1.114 53.174 52.037 0.039 0.000 0.823 551 A CB -0.952 18.063 19.000 0.026 0.000 0.846 551 A HN 1.952 nan 8.150 nan 0.000 0.486 552 G N -1.002 107.834 108.800 0.059 0.000 2.246 552 G HA2 -0.042 3.918 3.960 0.000 0.000 0.273 552 G HA3 -0.042 3.918 3.960 0.000 0.000 0.273 552 G C 0.722 175.645 174.900 0.039 0.000 1.055 552 G CA 0.617 45.756 45.100 0.064 0.000 0.851 552 G HN 1.186 nan 8.290 nan 0.000 0.500 553 G N -1.106 107.711 108.800 0.028 0.000 2.546 553 G HA2 0.564 4.524 3.960 0.000 0.000 0.239 553 G HA3 0.564 4.524 3.960 0.000 0.000 0.239 553 G C 1.593 176.502 174.900 0.016 0.000 1.476 553 G CA 1.169 46.283 45.100 0.024 0.000 1.064 553 G HN 1.299 nan 8.290 nan 0.000 0.561 554 V N -1.607 118.318 119.914 0.019 0.000 2.626 554 V HA -0.038 4.082 4.120 0.000 0.000 0.252 554 V C 2.562 178.653 176.094 -0.006 0.000 1.067 554 V CA 1.436 63.735 62.300 -0.001 0.000 1.081 554 V CB -0.773 31.037 31.823 -0.021 0.000 0.686 554 V HN 0.532 nan 8.190 nan 0.000 0.468 555 I N 0.188 120.756 120.570 -0.004 0.000 2.315 555 I HA -0.134 4.036 4.170 0.000 0.000 0.248 555 I C 2.501 178.608 176.117 -0.017 0.000 1.117 555 I CA 1.356 62.646 61.300 -0.017 0.000 1.404 555 I CB -0.249 37.733 38.000 -0.029 0.000 1.071 555 I HN 0.199 nan 8.210 nan 0.000 0.419 556 V N 0.277 120.184 119.914 -0.012 0.000 2.427 556 V HA -0.260 3.860 4.120 0.000 0.000 0.248 556 V C 2.318 178.407 176.094 -0.007 0.000 1.051 556 V CA 1.648 63.941 62.300 -0.012 0.000 1.048 556 V CB -0.654 31.166 31.823 -0.005 0.000 0.666 556 V HN 0.459 nan 8.190 nan 0.000 0.456 557 Q N -0.042 119.756 119.800 -0.003 0.000 2.167 557 Q HA -0.079 4.261 4.340 0.000 0.000 0.202 557 Q C 2.388 178.384 176.000 -0.007 0.000 0.970 557 Q CA 1.437 57.238 55.803 -0.003 0.000 0.855 557 Q CB -0.411 28.323 28.738 -0.006 0.000 0.911 557 Q HN 0.659 nan 8.270 nan 0.000 0.438 558 A N 0.704 123.518 122.820 -0.010 0.000 2.024 558 A HA -0.133 4.187 4.320 0.000 0.000 0.220 558 A C 1.972 179.552 177.584 -0.007 0.000 1.164 558 A CA 1.723 53.754 52.037 -0.009 0.000 0.643 558 A CB -0.347 18.648 19.000 -0.008 0.000 0.806 558 A HN 0.333 nan 8.150 nan 0.000 0.451 559 V N -4.387 115.524 119.914 -0.006 0.000 3.276 559 V HA 0.177 4.297 4.120 0.000 0.000 0.319 559 V C 1.353 177.451 176.094 0.006 0.000 1.427 559 V CA 0.522 62.821 62.300 -0.002 0.000 1.102 559 V CB -0.473 31.350 31.823 0.001 0.000 1.020 559 V HN 0.437 nan 8.190 nan 0.000 0.456 560 Q N 2.232 122.034 119.800 0.004 0.000 2.242 560 Q HA -0.258 4.082 4.340 0.000 0.000 0.211 560 Q C 1.914 177.927 176.000 0.022 0.000 0.992 560 Q CA 2.496 58.305 55.803 0.010 0.000 0.889 560 Q CB -0.066 28.678 28.738 0.010 0.000 0.913 560 Q HN 0.978 nan 8.270 nan 0.000 0.422 561 D N -0.363 120.048 120.400 0.017 0.000 2.249 561 D HA -0.109 4.531 4.640 0.000 0.000 0.205 561 D C 1.702 178.025 176.300 0.038 0.000 0.962 561 D CA 0.536 54.549 54.000 0.021 0.000 0.860 561 D CB -0.282 40.520 40.800 0.003 0.000 0.955 561 D HN 0.343 nan 8.370 nan 0.000 0.505 562 I N 0.596 121.188 120.570 0.037 0.000 2.335 562 I HA -0.178 3.992 4.170 0.000 0.000 0.251 562 I C 0.812 177.062 176.117 0.222 0.000 1.129 562 I CA 0.557 61.901 61.300 0.073 0.000 1.402 562 I CB -0.285 37.748 38.000 0.054 0.000 1.069 562 I HN -0.117 nan 8.210 nan 0.000 0.424 563 L N 2.944 124.256 121.223 0.149 0.000 2.407 563 L HA 0.210 4.550 4.340 0.000 0.000 0.282 563 L C -2.006 174.934 176.870 0.116 0.000 1.110 563 L CA -1.478 53.440 54.840 0.131 0.000 0.863 563 L CB -0.614 41.472 42.059 0.045 0.000 1.207 563 L HN -0.064 nan 8.230 nan 0.000 0.454 564 P HA 0.000 nan 4.420 nan 0.000 0.216 564 P CA 0.000 63.171 63.100 0.118 0.000 0.800 564 P CB 0.000 31.801 31.700 0.169 0.000 0.726