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 1p1f_1_B DATA FIRST_RESID 9 DATA SEQUENCE ITSVKVVTDK CTYKDNELLT KYSYENAVVT KTASGRFDVT PTVQDYVFKL DATA SEQUENCE DLKKPEKLGI MLIGLGGNNG STLVASVLAN KHNVEFQTKE GVKQPNYFGS DATA SEQUENCE MTQCSTLKLG IDAEGNDVYA PFNSLLPMVS PNDFVVSGWD INNADLYEAM DATA SEQUENCE QRSQVLEYDL QQRLKAKMSL VKPLPSIYYP DFIAANQDER ANNCINLDEK DATA SEQUENCE GNVTTRGKWT HLQRIRRDIQ NFKEENALDK VIVLWTANTE RYVEVSPGVN DATA SEQUENCE DTMENLLQSI KNDHEEIAPS TIFAAASILE GVPYINGSPQ NTFVPGLVQL DATA SEQUENCE AEHEGTFIAG DDLKSGQTKL KSVLAQFLVD AGIKPVSIAS YNHLXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXVID DIIASNDILY NDKLGKKVDH CIVIKYMKPV DATA SEQUENCE GDSKVAMDEY YSELMLGGHN RISIHNVCED SLLATPLIID LLVMTEFCTR DATA SEQUENCE VSYKKVDPXX XXXXKFENFY PVLTFLSYWL KAPLTRPGFH PVNGLNKQRT DATA SEQUENCE ALENFLRLLI GLPSQNELRF EERLL 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 9 I HA 0.000 nan 4.170 nan 0.000 0.288 9 I C 0.000 176.120 176.117 0.006 0.000 1.063 9 I CA 0.000 61.303 61.300 0.005 0.000 1.566 9 I CB 0.000 38.002 38.000 0.003 0.000 1.214 10 T N 2.365 116.924 114.554 0.008 0.000 2.875 10 T HA 0.714 5.077 4.350 0.022 0.000 0.284 10 T C 0.228 174.931 174.700 0.004 0.000 0.995 10 T CA -0.042 62.063 62.100 0.008 0.000 1.060 10 T CB 1.724 70.600 68.868 0.014 0.000 0.967 10 T HN 0.619 nan 8.240 nan 0.000 0.476 11 S N 0.973 116.674 115.700 0.000 0.000 2.618 11 S HA 0.801 5.284 4.470 0.022 0.000 0.277 11 S C -1.311 173.285 174.600 -0.007 0.000 1.138 11 S CA -0.833 57.366 58.200 -0.002 0.000 0.844 11 S CB 1.597 64.796 63.200 -0.001 0.000 1.127 11 S HN 0.419 nan 8.310 nan 0.000 0.474 12 V N 1.473 121.383 119.914 -0.007 0.000 2.524 12 V HA 0.630 4.763 4.120 0.022 0.000 0.297 12 V C -0.951 175.142 176.094 -0.001 0.000 1.035 12 V CA -0.507 61.785 62.300 -0.013 0.000 0.867 12 V CB 1.614 33.420 31.823 -0.028 0.000 1.004 12 V HN 0.907 nan 8.190 nan 0.000 0.426 13 K N 4.074 124.469 120.400 -0.009 0.000 2.394 13 K HA 0.657 4.990 4.320 0.022 0.000 0.260 13 K C -1.114 175.482 176.600 -0.007 0.000 0.967 13 K CA -0.365 55.915 56.287 -0.011 0.000 0.855 13 K CB 1.590 34.068 32.500 -0.037 0.000 1.101 13 K HN 0.429 nan 8.250 nan 0.000 0.433 14 V N 4.962 124.885 119.914 0.014 0.000 2.347 14 V HA 0.262 4.394 4.120 0.022 0.000 0.280 14 V C -0.101 176.005 176.094 0.021 0.000 1.021 14 V CA -1.189 61.120 62.300 0.015 0.000 0.847 14 V CB 1.512 33.348 31.823 0.022 0.000 0.990 14 V HN 0.460 nan 8.190 nan 0.000 0.444 15 V N 4.836 124.754 119.914 0.008 0.000 2.382 15 V HA 0.252 4.385 4.120 0.022 0.000 0.250 15 V C 0.620 176.729 176.094 0.024 0.000 1.069 15 V CA 0.798 63.103 62.300 0.009 0.000 1.130 15 V CB -0.153 31.671 31.823 0.001 0.000 1.165 15 V HN 1.026 nan 8.190 nan 0.000 0.483 16 T N 1.930 116.508 114.554 0.041 0.000 2.982 16 T HA 0.327 4.690 4.350 0.022 0.000 0.321 16 T C 0.413 175.153 174.700 0.067 0.000 1.229 16 T CA -0.159 61.973 62.100 0.053 0.000 1.044 16 T CB 1.782 70.689 68.868 0.064 0.000 1.184 16 T HN 0.758 nan 8.240 nan 0.000 0.477 17 D N 2.211 122.648 120.400 0.062 0.000 2.348 17 D HA 0.119 4.772 4.640 0.022 0.000 0.211 17 D C 1.381 177.731 176.300 0.084 0.000 0.998 17 D CA 0.245 54.285 54.000 0.066 0.000 0.873 17 D CB 0.235 41.065 40.800 0.051 0.000 0.925 17 D HN 0.484 nan 8.370 nan 0.000 0.524 18 K N -0.441 120.014 120.400 0.092 0.000 2.365 18 K HA 0.067 4.400 4.320 0.022 0.000 0.199 18 K C -0.137 176.538 176.600 0.125 0.000 1.045 18 K CA 0.261 56.615 56.287 0.110 0.000 0.962 18 K CB 0.095 32.665 32.500 0.117 0.000 0.759 18 K HN 0.233 nan 8.250 nan 0.000 0.469 19 C N 1.917 121.297 119.300 0.133 0.000 2.298 19 C HA 0.348 4.821 4.460 0.022 0.000 0.323 19 C C 0.286 175.406 174.990 0.218 0.000 1.284 19 C CA -1.046 58.062 59.018 0.150 0.000 1.577 19 C CB 0.730 28.587 27.740 0.196 0.000 2.249 19 C HN 0.327 nan 8.230 nan 0.000 0.497 20 T N 0.465 115.118 114.554 0.165 0.000 2.841 20 T HA 0.584 4.946 4.350 0.022 0.000 0.285 20 T C -1.193 173.626 174.700 0.198 0.000 0.991 20 T CA -0.431 61.801 62.100 0.220 0.000 0.966 20 T CB 0.662 69.611 68.868 0.135 0.000 0.962 20 T HN 0.446 nan 8.240 nan 0.000 0.438 21 Y N 2.195 122.514 120.300 0.031 0.000 2.341 21 Y HA 0.584 5.147 4.550 0.022 0.000 0.340 21 Y C 0.856 176.770 175.900 0.024 0.000 0.997 21 Y CA -1.296 56.817 58.100 0.023 0.000 1.149 21 Y CB 1.536 40.003 38.460 0.011 0.000 1.171 21 Y HN 0.809 nan 8.280 nan 0.000 0.494 22 K N 0.927 121.403 120.400 0.126 0.000 3.908 22 K HA 0.269 4.602 4.320 0.022 0.000 0.232 22 K C -0.654 175.991 176.600 0.075 0.000 1.059 22 K CA -0.548 55.793 56.287 0.090 0.000 1.818 22 K CB 0.349 32.890 32.500 0.067 0.000 2.817 22 K HN 0.493 nan 8.250 nan 0.000 0.754 23 D N 2.572 123.001 120.400 0.049 0.000 2.483 23 D HA 0.077 4.730 4.640 0.022 0.000 0.220 23 D C -0.790 175.524 176.300 0.023 0.000 1.173 23 D CA 0.166 54.188 54.000 0.035 0.000 0.964 23 D CB 0.052 40.868 40.800 0.027 0.000 1.046 23 D HN 0.412 nan 8.370 nan 0.000 0.517 24 N N 1.695 120.414 118.700 0.032 0.000 2.721 24 N HA -0.234 4.519 4.740 0.022 0.000 0.249 24 N C -0.035 175.462 175.510 -0.021 0.000 1.072 24 N CA 1.140 54.198 53.050 0.014 0.000 0.710 24 N CB -0.464 38.024 38.487 0.001 0.000 0.993 24 N HN 0.532 nan 8.380 nan 0.000 0.547 25 E N -0.282 119.905 120.200 -0.022 0.000 2.423 25 E HA 0.791 5.154 4.350 0.022 0.000 0.269 25 E C -1.307 175.209 176.600 -0.141 0.000 0.948 25 E CA -0.865 55.493 56.400 -0.070 0.000 0.802 25 E CB 1.406 31.090 29.700 -0.027 0.000 1.339 25 E HN 0.124 nan 8.360 nan 0.000 0.445 26 L N 1.701 122.812 121.223 -0.185 0.000 2.614 26 L HA 0.514 4.867 4.340 0.022 0.000 0.264 26 L C -2.245 174.543 176.870 -0.137 0.000 0.940 26 L CA -0.260 54.394 54.840 -0.310 0.000 0.903 26 L CB 1.313 43.081 42.059 -0.486 0.000 1.306 26 L HN 0.479 nan 8.230 nan 0.000 0.410 27 L N 4.500 125.691 121.223 -0.053 0.000 2.356 27 L HA 0.839 5.192 4.340 0.022 0.000 0.277 27 L C -0.153 176.782 176.870 0.107 0.000 0.996 27 L CA -0.072 54.830 54.840 0.104 0.000 0.822 27 L CB 2.269 44.439 42.059 0.184 0.000 1.256 27 L HN 0.621 nan 8.230 nan 0.000 0.413 28 T N 1.547 116.215 114.554 0.190 0.000 2.876 28 T HA 0.508 4.871 4.350 0.022 0.000 0.289 28 T C -0.557 174.337 174.700 0.324 0.000 1.014 28 T CA -1.015 61.210 62.100 0.207 0.000 0.986 28 T CB 1.788 70.747 68.868 0.152 0.000 1.021 28 T HN 0.357 nan 8.240 nan 0.000 0.458 29 K N 1.629 122.196 120.400 0.278 0.000 2.098 29 K HA 0.548 4.881 4.320 0.022 0.000 0.261 29 K C -1.343 175.505 176.600 0.414 0.000 0.987 29 K CA -0.881 55.587 56.287 0.302 0.000 0.916 29 K CB 1.387 34.001 32.500 0.189 0.000 1.039 29 K HN 0.681 nan 8.250 nan 0.000 0.455 30 Y N 0.342 120.833 120.300 0.317 0.000 2.307 30 Y HA 0.097 4.660 4.550 0.022 0.000 0.323 30 Y C -0.958 175.146 175.900 0.340 0.000 1.100 30 Y CA -0.514 57.793 58.100 0.346 0.000 1.140 30 Y CB 1.877 40.647 38.460 0.518 0.000 1.159 30 Y HN 0.636 nan 8.280 nan 0.000 0.436 31 S N 6.745 122.255 115.700 -0.315 0.000 2.411 31 S HA 0.179 4.661 4.470 0.022 0.000 0.304 31 S C -0.955 173.396 174.600 -0.416 0.000 1.098 31 S CA -0.264 57.819 58.200 -0.196 0.000 1.068 31 S CB -0.349 62.772 63.200 -0.131 0.000 1.032 31 S HN 0.610 nan 8.310 nan 0.000 0.511 32 Y N 4.371 124.580 120.300 -0.150 0.000 2.359 32 Y HA 0.390 4.953 4.550 0.021 0.000 0.334 32 Y C 0.209 176.147 175.900 0.063 0.000 1.058 32 Y CA -0.131 58.004 58.100 0.059 0.000 1.244 32 Y CB 0.515 39.243 38.460 0.446 0.000 1.187 32 Y HN 0.600 nan 8.280 nan 0.000 0.510 33 E N 5.386 125.260 120.200 -0.543 0.000 2.227 33 E HA 0.376 4.739 4.350 0.022 0.000 0.268 33 E C -1.143 175.088 176.600 -0.616 0.000 0.907 33 E CA -0.886 55.248 56.400 -0.444 0.000 0.786 33 E CB 2.103 31.666 29.700 -0.228 0.000 1.191 33 E HN 0.839 nan 8.360 nan 0.000 0.411 34 N N 0.233 118.727 118.700 -0.343 0.000 3.517 34 N HA 0.713 5.466 4.740 0.022 0.000 0.329 34 N C -2.076 173.387 175.510 -0.079 0.000 1.569 34 N CA -0.509 52.415 53.050 -0.210 0.000 0.852 34 N CB 1.495 39.885 38.487 -0.162 0.000 1.955 34 N HN 0.422 nan 8.380 nan 0.000 0.555 35 A N 0.117 122.924 122.820 -0.021 0.000 2.586 35 A HA 0.559 4.892 4.320 0.022 0.000 0.291 35 A C -1.890 175.712 177.584 0.030 0.000 1.062 35 A CA -0.400 51.639 52.037 0.004 0.000 0.666 35 A CB 0.979 19.976 19.000 -0.005 0.000 1.281 35 A HN 0.269 nan 8.150 nan 0.000 0.421 36 V N 0.443 120.380 119.914 0.038 0.000 2.628 36 V HA 0.706 4.839 4.120 0.022 0.000 0.306 36 V C -0.227 175.903 176.094 0.061 0.000 1.045 36 V CA -0.557 61.773 62.300 0.050 0.000 0.905 36 V CB 1.545 33.396 31.823 0.046 0.000 0.997 36 V HN 0.839 nan 8.190 nan 0.000 0.436 37 V N 2.426 122.388 119.914 0.081 0.000 2.960 37 V HA 0.875 5.007 4.120 0.022 0.000 0.315 37 V C -0.098 176.064 176.094 0.113 0.000 1.087 37 V CA -0.503 61.871 62.300 0.123 0.000 0.982 37 V CB 2.370 34.301 31.823 0.180 0.000 1.039 37 V HN 1.059 nan 8.190 nan 0.000 0.437 38 T N -0.516 114.106 114.554 0.114 0.000 3.578 38 T HA 0.358 4.721 4.350 0.022 0.000 0.329 38 T C -1.014 173.662 174.700 -0.041 0.000 0.913 38 T CA -0.771 61.353 62.100 0.039 0.000 1.029 38 T CB 0.874 69.752 68.868 0.017 0.000 1.045 38 T HN 0.689 nan 8.240 nan 0.000 0.460 39 K N 3.438 123.742 120.400 -0.161 0.000 2.349 39 K HA 0.440 4.773 4.320 0.022 0.000 0.288 39 K C 0.751 177.195 176.600 -0.260 0.000 1.058 39 K CA -0.274 55.744 56.287 -0.448 0.000 0.953 39 K CB 0.559 32.590 32.500 -0.781 0.000 0.997 39 K HN 0.829 nan 8.250 nan 0.000 0.477 40 T N 1.150 115.571 114.554 -0.222 0.000 2.847 40 T HA 0.351 4.714 4.350 0.022 0.000 0.279 40 T C 1.335 175.954 174.700 -0.135 0.000 0.984 40 T CA -0.225 61.797 62.100 -0.131 0.000 0.988 40 T CB 1.588 70.406 68.868 -0.083 0.000 1.040 40 T HN 0.564 nan 8.240 nan 0.000 0.528 41 A N 1.559 124.328 122.820 -0.086 0.000 1.877 41 A HA -0.040 4.293 4.320 0.022 0.000 0.216 41 A C 2.612 180.158 177.584 -0.064 0.000 1.186 41 A CA 2.326 54.321 52.037 -0.070 0.000 0.620 41 A CB -1.649 17.325 19.000 -0.044 0.000 0.822 41 A HN 1.439 nan 8.150 nan 0.000 0.443 42 S N -0.957 114.712 115.700 -0.052 0.000 2.484 42 S HA 0.185 4.668 4.470 0.022 0.000 0.250 42 S C 1.293 175.870 174.600 -0.039 0.000 0.995 42 S CA 1.262 59.441 58.200 -0.036 0.000 0.967 42 S CB -1.181 62.004 63.200 -0.026 0.000 0.752 42 S HN 2.212 nan 8.310 nan 0.000 0.517 43 G N 0.744 109.499 108.800 -0.075 0.000 2.545 43 G HA2 -0.204 3.769 3.960 0.022 0.000 0.279 43 G HA3 -0.204 3.769 3.960 0.022 0.000 0.279 43 G C -0.362 174.508 174.900 -0.050 0.000 1.131 43 G CA -0.086 44.968 45.100 -0.076 0.000 1.100 43 G HN 0.807 nan 8.290 nan 0.000 0.525 44 R N -0.074 120.357 120.500 -0.116 0.000 2.508 44 R HA 0.544 4.897 4.340 0.022 0.000 0.283 44 R C -0.981 175.278 176.300 -0.068 0.000 1.120 44 R CA -1.001 55.090 56.100 -0.015 0.000 0.958 44 R CB 0.745 31.049 30.300 0.007 0.000 1.215 44 R HN 0.068 nan 8.270 nan 0.000 0.427 45 F N 3.181 123.138 119.950 0.012 0.000 2.421 45 F HA 0.244 4.784 4.527 0.021 0.000 0.358 45 F C 0.425 176.231 175.800 0.011 0.000 1.115 45 F CA -0.066 57.941 58.000 0.012 0.000 1.160 45 F CB 0.930 39.939 39.000 0.014 0.000 1.123 45 F HN 0.260 nan 8.300 nan 0.000 0.508 46 D N 3.597 124.086 120.400 0.148 0.000 2.277 46 D HA 0.290 4.943 4.640 0.022 0.000 0.249 46 D C -0.514 175.849 176.300 0.105 0.000 1.134 46 D CA 0.030 54.088 54.000 0.096 0.000 0.863 46 D CB 2.157 42.987 40.800 0.050 0.000 1.143 46 D HN 0.116 nan 8.370 nan 0.000 0.458 47 V N 2.821 122.785 119.914 0.082 0.000 2.350 47 V HA 0.236 4.369 4.120 0.022 0.000 0.285 47 V C 0.214 176.331 176.094 0.040 0.000 1.014 47 V CA -0.536 61.801 62.300 0.063 0.000 0.831 47 V CB 1.683 33.535 31.823 0.050 0.000 1.000 47 V HN 0.448 nan 8.190 nan 0.000 0.433 48 T N 7.808 122.384 114.554 0.036 0.000 2.770 48 T HA 0.410 4.773 4.350 0.022 0.000 0.297 48 T C -2.576 172.136 174.700 0.020 0.000 0.997 48 T CA -1.204 60.911 62.100 0.026 0.000 0.949 48 T CB 1.600 70.484 68.868 0.026 0.000 0.941 48 T HN 0.371 nan 8.240 nan 0.000 0.457 49 P HA 0.300 nan 4.420 nan 0.000 0.272 49 P C -0.399 176.902 177.300 0.002 0.000 1.223 49 P CA -0.359 62.740 63.100 -0.003 0.000 0.784 49 P CB 0.482 32.175 31.700 -0.012 0.000 0.923 50 T N -1.169 113.382 114.554 -0.005 0.000 3.050 50 T HA 0.436 4.799 4.350 0.022 0.000 0.310 50 T C -0.791 173.920 174.700 0.018 0.000 0.978 50 T CA -0.733 61.378 62.100 0.019 0.000 1.013 50 T CB 0.314 69.212 68.868 0.050 0.000 1.000 50 T HN 0.200 nan 8.240 nan 0.000 0.447 51 V N 2.855 122.785 119.914 0.027 0.000 2.617 51 V HA 0.854 4.987 4.120 0.022 0.000 0.298 51 V C -0.966 175.199 176.094 0.117 0.000 1.048 51 V CA -0.296 62.033 62.300 0.048 0.000 0.964 51 V CB 1.730 33.559 31.823 0.011 0.000 1.004 51 V HN 1.127 nan 8.190 nan 0.000 0.466 52 Q N 4.157 124.089 119.800 0.221 0.000 2.263 52 Q HA 0.399 4.752 4.340 0.022 0.000 0.266 52 Q C -1.341 174.807 176.000 0.246 0.000 1.002 52 Q CA -0.403 55.521 55.803 0.201 0.000 0.790 52 Q CB 1.837 30.739 28.738 0.274 0.000 1.272 52 Q HN 0.802 nan 8.270 nan 0.000 0.435 53 D N 2.774 123.216 120.400 0.070 0.000 2.313 53 D HA 0.328 4.981 4.640 0.022 0.000 0.247 53 D C -0.643 175.652 176.300 -0.008 0.000 1.094 53 D CA 0.458 54.525 54.000 0.112 0.000 0.925 53 D CB 0.712 41.541 40.800 0.048 0.000 1.188 53 D HN 0.470 nan 8.370 nan 0.000 0.430 54 Y N -0.824 119.571 120.300 0.158 0.000 2.644 54 Y HA 0.451 5.014 4.550 0.022 0.000 0.338 54 Y C -0.407 175.565 175.900 0.119 0.000 1.119 54 Y CA -0.886 57.261 58.100 0.078 0.000 1.060 54 Y CB 1.939 40.375 38.460 -0.040 0.000 1.294 54 Y HN -0.014 nan 8.280 nan 0.000 0.472 55 V N 2.372 122.422 119.914 0.227 0.000 2.610 55 V HA 0.366 4.498 4.120 0.022 0.000 0.298 55 V C -1.375 174.912 176.094 0.322 0.000 1.067 55 V CA -1.019 61.462 62.300 0.301 0.000 0.894 55 V CB 1.108 33.074 31.823 0.239 0.000 1.015 55 V HN 0.484 nan 8.190 nan 0.000 0.432 56 F N 2.812 122.989 119.950 0.377 0.000 2.422 56 F HA 0.630 5.170 4.527 0.021 0.000 0.333 56 F C 0.345 176.197 175.800 0.087 0.000 1.095 56 F CA -0.613 57.551 58.000 0.273 0.000 1.038 56 F CB 1.611 40.726 39.000 0.192 0.000 1.156 56 F HN 0.295 nan 8.300 nan 0.000 0.483 57 K N 3.767 124.170 120.400 0.005 0.000 2.307 57 K HA 0.480 4.813 4.320 0.022 0.000 0.263 57 K C -1.663 174.813 176.600 -0.206 0.000 0.973 57 K CA -0.593 55.574 56.287 -0.199 0.000 0.846 57 K CB 1.063 33.151 32.500 -0.687 0.000 1.100 57 K HN 0.650 nan 8.250 nan 0.000 0.438 58 L N 4.881 125.982 121.223 -0.203 0.000 2.316 58 L HA 0.284 4.637 4.340 0.022 0.000 0.280 58 L C -0.941 175.773 176.870 -0.261 0.000 1.006 58 L CA -0.495 54.174 54.840 -0.286 0.000 0.836 58 L CB 1.358 43.225 42.059 -0.319 0.000 1.221 58 L HN 0.806 nan 8.230 nan 0.000 0.418 59 D N 5.308 125.551 120.400 -0.260 0.000 2.367 59 D HA 0.037 4.690 4.640 0.022 0.000 0.255 59 D C 1.250 177.435 176.300 -0.191 0.000 1.300 59 D CA -0.078 53.806 54.000 -0.193 0.000 0.959 59 D CB 0.486 41.183 40.800 -0.172 0.000 1.064 59 D HN 0.584 nan 8.370 nan 0.000 0.509 60 L N 2.680 123.815 121.223 -0.147 0.000 2.633 60 L HA -0.046 4.307 4.340 0.022 0.000 0.235 60 L C 1.182 178.010 176.870 -0.070 0.000 1.163 60 L CA 0.590 55.366 54.840 -0.108 0.000 0.859 60 L CB -0.484 41.541 42.059 -0.056 0.000 0.973 60 L HN 0.139 nan 8.230 nan 0.000 0.451 61 K N 2.996 123.353 120.400 -0.072 0.000 2.183 61 K HA 0.141 4.474 4.320 0.022 0.000 0.272 61 K C 0.020 176.591 176.600 -0.048 0.000 1.113 61 K CA -0.099 56.160 56.287 -0.046 0.000 0.949 61 K CB 0.360 32.837 32.500 -0.038 0.000 1.365 61 K HN 0.250 nan 8.250 nan 0.000 0.420 62 K N 2.574 122.955 120.400 -0.033 0.000 2.143 62 K HA 0.367 4.700 4.320 0.022 0.000 0.272 62 K C -2.265 174.334 176.600 -0.001 0.000 1.001 62 K CA -1.715 54.560 56.287 -0.019 0.000 0.915 62 K CB 0.564 33.065 32.500 0.001 0.000 1.047 62 K HN 0.109 nan 8.250 nan 0.000 0.458 63 P HA -0.060 nan 4.420 nan 0.000 0.265 63 P C -0.136 177.177 177.300 0.023 0.000 1.193 63 P CA 0.211 63.321 63.100 0.016 0.000 0.765 63 P CB 0.938 32.654 31.700 0.027 0.000 0.823 64 E N 1.960 122.168 120.200 0.012 0.000 2.268 64 E HA -0.095 4.268 4.350 0.022 0.000 0.195 64 E C -0.030 176.584 176.600 0.022 0.000 0.995 64 E CA 0.890 57.296 56.400 0.011 0.000 0.836 64 E CB 0.210 29.911 29.700 0.002 0.000 0.763 64 E HN 0.386 nan 8.360 nan 0.000 0.491 65 K N 0.600 121.020 120.400 0.032 0.000 2.616 65 K HA 0.182 4.514 4.320 0.022 0.000 0.255 65 K C -1.733 174.909 176.600 0.070 0.000 0.995 65 K CA -0.610 55.712 56.287 0.058 0.000 0.860 65 K CB 1.679 34.196 32.500 0.029 0.000 1.264 65 K HN -0.061 nan 8.250 nan 0.000 0.451 66 L N 2.063 123.373 121.223 0.145 0.000 2.292 66 L HA 0.477 4.830 4.340 0.022 0.000 0.284 66 L C 0.252 177.156 176.870 0.056 0.000 1.065 66 L CA 0.370 55.269 54.840 0.098 0.000 0.806 66 L CB 1.298 43.433 42.059 0.126 0.000 1.175 66 L HN 0.705 nan 8.230 nan 0.000 0.431 67 G N 5.908 114.729 108.800 0.035 0.000 2.415 67 G HA2 0.528 4.501 3.960 0.022 0.000 0.269 67 G HA3 0.528 4.501 3.960 0.022 0.000 0.269 67 G C -0.755 174.200 174.900 0.092 0.000 1.209 67 G CA -0.422 44.765 45.100 0.145 0.000 0.835 67 G HN 0.494 nan 8.290 nan 0.000 0.534 68 I N 2.240 122.872 120.570 0.104 0.000 2.500 68 I HA 0.277 4.460 4.170 0.022 0.000 0.286 68 I C -0.329 175.672 176.117 -0.192 0.000 1.063 68 I CA -0.425 60.798 61.300 -0.128 0.000 1.062 68 I CB 1.792 39.593 38.000 -0.331 0.000 1.223 68 I HN 0.369 nan 8.210 nan 0.000 0.435 69 M N 6.654 126.138 119.600 -0.194 0.000 2.078 69 M HA 0.421 4.914 4.480 0.022 0.000 0.320 69 M C -1.104 175.149 176.300 -0.078 0.000 0.969 69 M CA -0.908 54.210 55.300 -0.302 0.000 0.929 69 M CB 1.986 34.395 32.600 -0.319 0.000 1.504 69 M HN 0.169 nan 8.290 nan 0.000 0.419 70 L N 4.699 125.840 121.223 -0.137 0.000 2.289 70 L HA 0.514 4.867 4.340 0.022 0.000 0.285 70 L C -0.089 176.756 176.870 -0.041 0.000 1.049 70 L CA -0.365 54.412 54.840 -0.105 0.000 0.804 70 L CB 1.089 43.059 42.059 -0.150 0.000 1.195 70 L HN 0.638 nan 8.230 nan 0.000 0.428 71 I N 3.251 123.729 120.570 -0.154 0.000 2.308 71 I HA 0.415 4.598 4.170 0.022 0.000 0.293 71 I C 0.925 176.693 176.117 -0.581 0.000 1.078 71 I CA 0.076 61.155 61.300 -0.369 0.000 1.292 71 I CB 0.556 38.062 38.000 -0.823 0.000 1.423 71 I HN 0.831 nan 8.210 nan 0.000 0.493 72 G N 4.865 113.434 108.800 -0.385 0.000 2.155 72 G HA2 -0.186 3.787 3.960 0.022 0.000 0.135 72 G HA3 -0.186 3.787 3.960 0.022 0.000 0.135 72 G C 0.613 175.369 174.900 -0.241 0.000 1.023 72 G CA -0.295 44.575 45.100 -0.383 0.000 0.688 72 G HN 0.599 nan 8.290 nan 0.000 0.499 73 L N 0.319 121.437 121.223 -0.177 0.000 2.089 73 L HA -0.046 4.307 4.340 0.022 0.000 0.213 73 L C 2.325 179.123 176.870 -0.119 0.000 1.079 73 L CA 2.587 57.342 54.840 -0.143 0.000 0.758 73 L CB -0.357 41.615 42.059 -0.144 0.000 0.891 73 L HN 0.451 nan 8.230 nan 0.000 0.433 74 G N -1.164 107.567 108.800 -0.114 0.000 3.210 74 G HA2 0.201 4.174 3.960 0.022 0.000 0.220 74 G HA3 0.201 4.174 3.960 0.022 0.000 0.220 74 G C 0.683 175.525 174.900 -0.097 0.000 1.200 74 G CA 0.315 45.359 45.100 -0.094 0.000 0.834 74 G HN 0.527 nan 8.290 nan 0.000 0.524 75 G N 0.204 108.937 108.800 -0.113 0.000 2.504 75 G HA2 0.191 4.164 3.960 0.022 0.000 0.257 75 G HA3 0.191 4.164 3.960 0.022 0.000 0.257 75 G C 0.914 175.767 174.900 -0.079 0.000 1.451 75 G CA -0.328 44.709 45.100 -0.105 0.000 1.059 75 G HN 0.117 nan 8.290 nan 0.000 0.550 76 N N 0.291 118.950 118.700 -0.068 0.000 2.132 76 N HA -0.098 4.655 4.740 0.022 0.000 0.187 76 N C 2.056 177.540 175.510 -0.042 0.000 1.038 76 N CA 0.960 53.981 53.050 -0.048 0.000 0.846 76 N CB -0.438 38.028 38.487 -0.035 0.000 1.012 76 N HN 0.360 nan 8.380 nan 0.000 0.429 77 N N 0.902 119.575 118.700 -0.044 0.000 2.120 77 N HA -0.085 4.668 4.740 0.022 0.000 0.188 77 N C 1.854 177.340 175.510 -0.040 0.000 1.024 77 N CA 1.228 54.259 53.050 -0.032 0.000 0.852 77 N CB -0.941 37.524 38.487 -0.035 0.000 1.003 77 N HN 0.296 nan 8.380 nan 0.000 0.424 78 G N 0.923 109.681 108.800 -0.070 0.000 2.514 78 G HA2 -0.314 3.658 3.960 0.022 0.000 0.217 78 G HA3 -0.314 3.658 3.960 0.022 0.000 0.217 78 G C 1.762 176.632 174.900 -0.049 0.000 1.198 78 G CA 2.049 47.103 45.100 -0.076 0.000 0.780 78 G HN 0.525 nan 8.290 nan 0.000 0.565 79 S N 0.616 116.287 115.700 -0.049 0.000 2.356 79 S HA -0.210 4.273 4.470 0.022 0.000 0.223 79 S C 2.470 177.059 174.600 -0.019 0.000 1.032 79 S CA 2.583 60.763 58.200 -0.034 0.000 1.005 79 S CB -1.297 61.878 63.200 -0.042 0.000 0.867 79 S HN 0.686 nan 8.310 nan 0.000 0.449 80 T N 0.847 115.389 114.554 -0.020 0.000 2.777 80 T HA 0.030 4.393 4.350 0.022 0.000 0.266 80 T C 1.853 176.562 174.700 0.015 0.000 1.040 80 T CA 1.121 63.213 62.100 -0.012 0.000 1.141 80 T CB -0.925 67.936 68.868 -0.012 0.000 0.868 80 T HN 0.339 nan 8.240 nan 0.000 0.444 81 L N 0.685 121.924 121.223 0.027 0.000 2.043 81 L HA -0.064 4.289 4.340 0.022 0.000 0.212 81 L C 2.672 179.593 176.870 0.086 0.000 1.075 81 L CA 1.398 56.278 54.840 0.068 0.000 0.752 81 L CB -0.370 41.719 42.059 0.049 0.000 0.891 81 L HN 0.183 nan 8.230 nan 0.000 0.432 82 V N -0.371 119.573 119.914 0.049 0.000 2.453 82 V HA -0.206 3.927 4.120 0.022 0.000 0.247 82 V C 2.700 178.826 176.094 0.053 0.000 1.048 82 V CA 1.484 63.817 62.300 0.055 0.000 1.049 82 V CB -0.673 31.165 31.823 0.024 0.000 0.672 82 V HN 0.586 nan 8.190 nan 0.000 0.457 83 A N 0.756 123.592 122.820 0.027 0.000 1.933 83 A HA -0.205 4.127 4.320 0.022 0.000 0.218 83 A C 2.547 180.129 177.584 -0.004 0.000 1.175 83 A CA 2.252 54.293 52.037 0.006 0.000 0.628 83 A CB -0.694 18.290 19.000 -0.026 0.000 0.814 83 A HN 0.677 nan 8.150 nan 0.000 0.444 84 S N -0.164 115.540 115.700 0.006 0.000 2.348 84 S HA -0.143 4.340 4.470 0.022 0.000 0.221 84 S C 1.761 176.357 174.600 -0.007 0.000 1.033 84 S CA 1.485 59.662 58.200 -0.038 0.000 1.010 84 S CB -1.171 62.049 63.200 0.034 0.000 0.891 84 S HN 0.278 nan 8.310 nan 0.000 0.442 85 V N 2.534 122.533 119.914 0.142 0.000 2.332 85 V HA -0.150 3.983 4.120 0.022 0.000 0.248 85 V C 2.627 178.756 176.094 0.058 0.000 1.055 85 V CA 1.849 64.249 62.300 0.167 0.000 1.038 85 V CB -0.970 30.954 31.823 0.168 0.000 0.651 85 V HN 0.454 nan 8.190 nan 0.000 0.450 86 L N -0.190 121.070 121.223 0.063 0.000 2.027 86 L HA -0.152 4.201 4.340 0.022 0.000 0.206 86 L C 2.773 179.696 176.870 0.089 0.000 1.074 86 L CA 1.704 56.605 54.840 0.101 0.000 0.745 86 L CB -0.849 41.283 42.059 0.122 0.000 0.898 86 L HN 0.382 nan 8.230 nan 0.000 0.433 87 A N 0.039 122.876 122.820 0.028 0.000 1.877 87 A HA -0.202 4.130 4.320 0.022 0.000 0.216 87 A C 2.086 179.654 177.584 -0.026 0.000 1.186 87 A CA 1.784 53.830 52.037 0.015 0.000 0.620 87 A CB -0.545 18.446 19.000 -0.015 0.000 0.822 87 A HN 0.440 nan 8.150 nan 0.000 0.443 88 N N -0.275 118.355 118.700 -0.117 0.000 2.051 88 N HA -0.157 4.596 4.740 0.022 0.000 0.192 88 N C 1.832 177.298 175.510 -0.073 0.000 1.049 88 N CA 1.605 54.561 53.050 -0.157 0.000 0.845 88 N CB -0.439 37.846 38.487 -0.337 0.000 1.031 88 N HN 0.614 nan 8.380 nan 0.000 0.425 89 K N 0.489 120.839 120.400 -0.082 0.000 2.077 89 K HA -0.195 4.137 4.320 0.022 0.000 0.213 89 K C 1.229 177.675 176.600 -0.257 0.000 1.051 89 K CA 1.546 57.716 56.287 -0.194 0.000 0.929 89 K CB -0.091 32.218 32.500 -0.319 0.000 0.715 89 K HN 0.357 nan 8.250 nan 0.000 0.451 90 H N -0.257 118.811 119.070 -0.003 0.000 2.539 90 H HA 0.116 4.685 4.556 0.021 0.000 0.269 90 H C -0.111 175.208 175.328 -0.016 0.000 0.980 90 H CA 0.304 56.347 56.048 -0.008 0.000 1.152 90 H CB -0.188 29.569 29.762 -0.008 0.000 1.407 90 H HN 0.377 nan 8.280 nan 0.000 0.564 91 N N 0.587 119.316 118.700 0.050 0.000 2.696 91 N HA -0.182 4.571 4.740 0.022 0.000 0.256 91 N C -0.533 174.994 175.510 0.028 0.000 1.031 91 N CA 0.159 53.218 53.050 0.015 0.000 0.730 91 N CB -0.552 37.938 38.487 0.004 0.000 0.894 91 N HN 0.020 nan 8.380 nan 0.000 0.544 92 V N 1.872 121.817 119.914 0.052 0.000 2.339 92 V HA 0.137 4.270 4.120 0.022 0.000 0.261 92 V C 0.497 176.647 176.094 0.093 0.000 1.058 92 V CA -0.406 61.934 62.300 0.067 0.000 0.897 92 V CB 0.620 32.491 31.823 0.081 0.000 1.052 92 V HN 0.264 nan 8.190 nan 0.000 0.480 93 E N 7.006 127.213 120.200 0.012 0.000 2.354 93 E HA 0.438 4.801 4.350 0.022 0.000 0.269 93 E C -0.897 175.705 176.600 0.003 0.000 1.036 93 E CA -0.483 55.859 56.400 -0.097 0.000 0.876 93 E CB 1.057 30.682 29.700 -0.125 0.000 1.009 93 E HN 0.624 nan 8.360 nan 0.000 0.416 94 F N -0.822 119.102 119.950 -0.044 0.000 2.588 94 F HA 0.435 4.975 4.527 0.022 0.000 0.314 94 F C -0.413 175.375 175.800 -0.021 0.000 1.069 94 F CA -1.528 56.451 58.000 -0.035 0.000 0.931 94 F CB 1.217 40.193 39.000 -0.039 0.000 1.260 94 F HN 0.202 nan 8.300 nan 0.000 0.465 95 Q N 1.733 121.655 119.800 0.204 0.000 2.259 95 Q HA 0.559 4.912 4.340 0.022 0.000 0.249 95 Q C -0.182 175.930 176.000 0.187 0.000 0.914 95 Q CA 0.010 55.888 55.803 0.124 0.000 0.904 95 Q CB 1.964 30.755 28.738 0.089 0.000 1.213 95 Q HN 1.028 nan 8.270 nan 0.000 0.428 96 T N -2.492 112.134 114.554 0.120 0.000 2.731 96 T HA 0.370 4.733 4.350 0.022 0.000 0.300 96 T C 0.729 175.474 174.700 0.074 0.000 1.283 96 T CA -0.858 61.318 62.100 0.125 0.000 1.005 96 T CB 1.207 70.169 68.868 0.157 0.000 1.420 96 T HN 0.405 nan 8.240 nan 0.000 0.503 97 K N 0.222 120.663 120.400 0.067 0.000 2.063 97 K HA -0.115 4.218 4.320 0.022 0.000 0.208 97 K C 1.327 177.947 176.600 0.034 0.000 1.048 97 K CA 1.983 58.297 56.287 0.046 0.000 0.928 97 K CB -0.202 32.323 32.500 0.042 0.000 0.713 97 K HN 0.619 nan 8.250 nan 0.000 0.442 98 E N -0.255 119.966 120.200 0.035 0.000 2.463 98 E HA 0.113 4.476 4.350 0.022 0.000 0.191 98 E C 0.355 176.959 176.600 0.006 0.000 1.083 98 E CA 0.300 56.712 56.400 0.021 0.000 0.872 98 E CB 0.475 30.190 29.700 0.025 0.000 0.966 98 E HN 0.428 nan 8.360 nan 0.000 0.491 99 G N -0.576 108.229 108.800 0.009 0.000 2.710 99 G HA2 -0.225 3.748 3.960 0.022 0.000 0.668 99 G HA3 -0.225 3.748 3.960 0.022 0.000 0.668 99 G C -0.303 174.571 174.900 -0.043 0.000 1.320 99 G CA -0.710 44.383 45.100 -0.011 0.000 0.860 99 G HN 0.094 nan 8.290 nan 0.000 0.538 100 V N 1.622 121.496 119.914 -0.067 0.000 2.694 100 V HA 0.329 4.462 4.120 0.022 0.000 0.306 100 V C 0.551 176.503 176.094 -0.237 0.000 1.054 100 V CA 0.311 62.530 62.300 -0.135 0.000 1.161 100 V CB 0.966 32.724 31.823 -0.109 0.000 0.916 100 V HN 0.728 nan 8.190 nan 0.000 0.490 101 K N 3.352 123.462 120.400 -0.482 0.000 2.340 101 K HA 0.560 4.893 4.320 0.022 0.000 0.244 101 K C -0.792 175.349 176.600 -0.765 0.000 0.973 101 K CA -0.897 55.005 56.287 -0.642 0.000 0.828 101 K CB 1.935 33.928 32.500 -0.846 0.000 1.226 101 K HN 0.526 nan 8.250 nan 0.000 0.437 102 Q N 2.023 121.521 119.800 -0.503 0.000 2.316 102 Q HA 0.390 4.743 4.340 0.022 0.000 0.264 102 Q C -2.172 173.643 176.000 -0.308 0.000 0.987 102 Q CA -1.994 53.597 55.803 -0.354 0.000 0.852 102 Q CB 1.465 30.071 28.738 -0.221 0.000 1.287 102 Q HN 0.370 nan 8.270 nan 0.000 0.448 103 P HA 0.010 nan 4.420 nan 0.000 0.268 103 P C -0.650 176.475 177.300 -0.291 0.000 1.208 103 P CA 0.097 63.127 63.100 -0.118 0.000 0.777 103 P CB 0.657 32.318 31.700 -0.064 0.000 0.875 104 N N -0.816 117.638 118.700 -0.411 0.000 3.355 104 N HA 0.171 4.924 4.740 0.022 0.000 0.238 104 N C -1.644 173.556 175.510 -0.516 0.000 1.466 104 N CA -0.783 51.962 53.050 -0.510 0.000 0.882 104 N CB -0.050 37.984 38.487 -0.755 0.000 1.406 104 N HN 0.211 nan 8.380 nan 0.000 0.500 105 Y N -0.113 120.114 120.300 -0.122 0.000 2.839 105 Y HA 0.445 5.008 4.550 0.021 0.000 0.361 105 Y C -0.400 175.599 175.900 0.165 0.000 1.008 105 Y CA -0.766 57.339 58.100 0.008 0.000 1.534 105 Y CB 0.001 38.465 38.460 0.007 0.000 1.395 105 Y HN 0.322 nan 8.280 nan 0.000 0.534 106 F N 1.313 121.326 119.950 0.105 0.000 2.578 106 F HA 0.338 4.877 4.527 0.021 0.000 0.381 106 F C 1.346 177.198 175.800 0.087 0.000 1.069 106 F CA 0.468 58.516 58.000 0.080 0.000 1.231 106 F CB 0.461 39.491 39.000 0.050 0.000 1.086 106 F HN 0.504 nan 8.300 nan 0.000 0.564 107 G N 1.911 110.863 108.800 0.252 0.000 2.253 107 G HA2 -0.214 3.759 3.960 0.022 0.000 0.209 107 G HA3 -0.214 3.759 3.960 0.022 0.000 0.209 107 G C 0.310 175.312 174.900 0.170 0.000 0.997 107 G CA 0.012 45.213 45.100 0.169 0.000 0.640 107 G HN 0.804 nan 8.290 nan 0.000 0.496 108 S N 0.655 116.470 115.700 0.190 0.000 2.439 108 S HA 0.587 5.070 4.470 0.022 0.000 0.282 108 S C 1.553 176.202 174.600 0.082 0.000 1.170 108 S CA 0.488 58.774 58.200 0.144 0.000 1.054 108 S CB 0.774 64.055 63.200 0.137 0.000 0.956 108 S HN 0.461 nan 8.310 nan 0.000 0.490 109 M N 4.918 124.545 119.600 0.045 0.000 2.099 109 M HA -0.101 4.392 4.480 0.022 0.000 0.262 109 M C 2.155 178.274 176.300 -0.300 0.000 1.067 109 M CA 2.378 57.593 55.300 -0.142 0.000 1.124 109 M CB -0.776 31.685 32.600 -0.231 0.000 1.353 109 M HN 0.862 nan 8.290 nan 0.000 0.410 110 T N -1.400 112.992 114.554 -0.270 0.000 2.746 110 T HA -0.137 4.226 4.350 0.022 0.000 0.267 110 T C 1.706 176.436 174.700 0.051 0.000 1.039 110 T CA 1.147 63.192 62.100 -0.092 0.000 1.142 110 T CB -0.492 68.387 68.868 0.019 0.000 0.866 110 T HN 0.444 nan 8.240 nan 0.000 0.444 111 Q N -0.166 119.634 119.800 -0.000 0.000 2.331 111 Q HA 0.203 4.556 4.340 0.022 0.000 0.203 111 Q C 1.860 177.926 176.000 0.110 0.000 0.944 111 Q CA 0.625 56.446 55.803 0.030 0.000 0.892 111 Q CB -0.251 28.464 28.738 -0.037 0.000 0.983 111 Q HN 0.683 nan 8.270 nan 0.000 0.482 112 C N -0.220 119.148 119.300 0.113 0.000 3.911 112 C HA 0.260 4.733 4.460 0.022 0.000 0.318 112 C C 1.301 176.334 174.990 0.071 0.000 1.643 112 C CA -0.400 58.703 59.018 0.140 0.000 1.845 112 C CB -0.100 27.786 27.740 0.243 0.000 2.981 112 C HN 0.400 nan 8.230 nan 0.000 0.656 113 S N 1.410 117.135 115.700 0.042 0.000 2.694 113 S HA 0.779 5.262 4.470 0.022 0.000 0.278 113 S C -0.129 174.533 174.600 0.104 0.000 1.152 113 S CA 0.368 58.582 58.200 0.024 0.000 1.010 113 S CB 1.295 64.465 63.200 -0.049 0.000 1.104 113 S HN 0.587 nan 8.310 nan 0.000 0.547 114 T N -1.408 113.218 114.554 0.119 0.000 2.868 114 T HA 0.668 5.031 4.350 0.022 0.000 0.306 114 T C -0.974 173.880 174.700 0.256 0.000 1.224 114 T CA -0.962 61.246 62.100 0.180 0.000 1.012 114 T CB 0.622 69.573 68.868 0.137 0.000 1.221 114 T HN 0.640 nan 8.240 nan 0.000 0.499 115 L N 0.612 121.991 121.223 0.260 0.000 2.323 115 L HA 0.659 5.012 4.340 0.022 0.000 0.265 115 L C -0.207 176.723 176.870 0.101 0.000 1.012 115 L CA -1.254 53.711 54.840 0.208 0.000 0.820 115 L CB 2.264 44.349 42.059 0.044 0.000 1.334 115 L HN 0.707 nan 8.230 nan 0.000 0.427 116 K N 1.182 121.505 120.400 -0.127 0.000 2.211 116 K HA 0.413 4.746 4.320 0.022 0.000 0.275 116 K C 0.182 176.627 176.600 -0.257 0.000 1.024 116 K CA -0.398 55.581 56.287 -0.513 0.000 0.887 116 K CB 1.152 33.271 32.500 -0.635 0.000 1.084 116 K HN 0.601 nan 8.250 nan 0.000 0.463 117 L N 2.622 123.707 121.223 -0.230 0.000 2.354 117 L HA 0.270 4.623 4.340 0.022 0.000 0.212 117 L C 1.112 177.905 176.870 -0.128 0.000 1.091 117 L CA 0.478 55.234 54.840 -0.140 0.000 0.828 117 L CB 0.313 42.310 42.059 -0.103 0.000 0.973 117 L HN 0.970 nan 8.230 nan 0.000 0.461 118 G N -0.060 108.644 108.800 -0.161 0.000 2.367 118 G HA2 0.226 4.199 3.960 0.022 0.000 0.272 118 G HA3 0.226 4.199 3.960 0.022 0.000 0.272 118 G C -1.542 173.284 174.900 -0.125 0.000 1.271 118 G CA -0.410 44.617 45.100 -0.122 0.000 0.893 118 G HN -0.002 nan 8.290 nan 0.000 0.485 119 I N -0.947 119.577 120.570 -0.077 0.000 2.947 119 I HA 0.799 4.982 4.170 0.022 0.000 0.314 119 I C -0.102 175.992 176.117 -0.038 0.000 1.028 119 I CA -0.934 60.332 61.300 -0.056 0.000 1.077 119 I CB 1.842 39.822 38.000 -0.033 0.000 1.274 119 I HN 0.655 nan 8.210 nan 0.000 0.485 120 D N 2.699 123.085 120.400 -0.023 0.000 2.530 120 D HA 0.401 5.054 4.640 0.022 0.000 0.282 120 D C 1.141 177.437 176.300 -0.006 0.000 1.204 120 D CA -0.150 53.842 54.000 -0.013 0.000 1.093 120 D CB 0.314 41.111 40.800 -0.006 0.000 1.154 120 D HN 0.626 nan 8.370 nan 0.000 0.593 121 A N -0.486 122.333 122.820 -0.002 0.000 1.908 121 A HA -0.182 4.151 4.320 0.022 0.000 0.218 121 A C 1.741 179.327 177.584 0.003 0.000 1.181 121 A CA 1.520 53.557 52.037 0.000 0.000 0.627 121 A CB -0.791 18.210 19.000 0.001 0.000 0.818 121 A HN 0.570 nan 8.150 nan 0.000 0.445 122 E N -1.082 119.121 120.200 0.005 0.000 2.482 122 E HA 0.154 4.516 4.350 0.022 0.000 0.196 122 E C 1.245 177.850 176.600 0.010 0.000 1.047 122 E CA 0.802 57.207 56.400 0.008 0.000 0.869 122 E CB -0.544 29.162 29.700 0.009 0.000 0.836 122 E HN 1.009 nan 8.360 nan 0.000 0.520 123 G N 1.259 110.063 108.800 0.007 0.000 2.163 123 G HA2 -0.194 3.779 3.960 0.022 0.000 0.213 123 G HA3 -0.194 3.779 3.960 0.022 0.000 0.213 123 G C -0.143 174.761 174.900 0.008 0.000 0.991 123 G CA -0.266 44.839 45.100 0.009 0.000 0.653 123 G HN 0.176 nan 8.290 nan 0.000 0.518 124 N N 1.739 120.443 118.700 0.008 0.000 2.456 124 N HA 0.390 5.143 4.740 0.022 0.000 0.288 124 N C -0.486 175.025 175.510 0.001 0.000 1.059 124 N CA -0.554 52.505 53.050 0.015 0.000 0.946 124 N CB 1.058 39.561 38.487 0.026 0.000 1.150 124 N HN 0.151 nan 8.380 nan 0.000 0.479 125 D N 0.585 120.984 120.400 -0.001 0.000 2.601 125 D HA -0.028 4.625 4.640 0.022 0.000 0.229 125 D C -0.061 176.191 176.300 -0.081 0.000 1.140 125 D CA 0.587 54.540 54.000 -0.078 0.000 0.862 125 D CB 0.761 41.533 40.800 -0.046 0.000 1.192 125 D HN 0.038 nan 8.370 nan 0.000 0.480 126 V N 2.805 122.588 119.914 -0.217 0.000 2.487 126 V HA 0.265 4.398 4.120 0.022 0.000 0.298 126 V C -0.710 175.214 176.094 -0.283 0.000 1.028 126 V CA -0.733 61.491 62.300 -0.127 0.000 0.860 126 V CB 0.937 32.712 31.823 -0.080 0.000 0.991 126 V HN 0.364 nan 8.190 nan 0.000 0.427 127 Y N 2.515 122.813 120.300 -0.003 0.000 2.446 127 Y HA 0.811 5.374 4.550 0.022 0.000 0.338 127 Y C 0.431 176.332 175.900 0.000 0.000 1.055 127 Y CA -0.399 57.700 58.100 -0.001 0.000 1.101 127 Y CB 2.124 40.586 38.460 0.003 0.000 1.221 127 Y HN 0.734 nan 8.280 nan 0.000 0.460 128 A N 3.304 126.208 122.820 0.139 0.000 2.479 128 A HA 0.805 5.138 4.320 0.022 0.000 0.296 128 A C -3.045 174.596 177.584 0.095 0.000 1.121 128 A CA -2.296 49.788 52.037 0.080 0.000 0.743 128 A CB 1.419 20.428 19.000 0.016 0.000 1.323 128 A HN 0.456 nan 8.150 nan 0.000 0.415 129 P HA 0.138 nan 4.420 nan 0.000 0.268 129 P C 0.424 177.779 177.300 0.092 0.000 1.205 129 P CA -0.020 63.137 63.100 0.095 0.000 0.771 129 P CB 0.240 31.984 31.700 0.073 0.000 0.858 130 F N 3.669 123.615 119.950 -0.007 0.000 2.154 130 F HA -0.249 4.292 4.527 0.022 0.000 0.301 130 F C 1.439 177.193 175.800 -0.075 0.000 1.087 130 F CA 1.912 59.888 58.000 -0.039 0.000 1.274 130 F CB -0.159 38.824 39.000 -0.029 0.000 1.009 130 F HN 0.322 nan 8.300 nan 0.000 0.485 131 N N -0.576 118.183 118.700 0.098 0.000 2.327 131 N HA 0.024 4.777 4.740 0.022 0.000 0.231 131 N C 0.565 176.056 175.510 -0.032 0.000 1.130 131 N CA 0.637 53.686 53.050 -0.002 0.000 0.845 131 N CB -0.567 37.960 38.487 0.066 0.000 1.073 131 N HN 0.250 nan 8.380 nan 0.000 0.496 132 S N -1.375 114.295 115.700 -0.049 0.000 2.559 132 S HA 0.218 4.701 4.470 0.022 0.000 0.226 132 S C 1.177 175.745 174.600 -0.055 0.000 1.000 132 S CA -0.402 57.779 58.200 -0.031 0.000 0.948 132 S CB -0.066 63.129 63.200 -0.007 0.000 0.870 132 S HN 0.078 nan 8.310 nan 0.000 0.497 133 L N 0.756 121.912 121.223 -0.113 0.000 2.022 133 L HA 0.429 4.782 4.340 0.022 0.000 0.204 133 L C 0.349 177.178 176.870 -0.069 0.000 1.076 133 L CA 1.396 56.165 54.840 -0.118 0.000 0.749 133 L CB -0.451 41.480 42.059 -0.213 0.000 0.903 133 L HN 0.299 nan 8.230 nan 0.000 0.439 134 L N -0.551 120.629 121.223 -0.072 0.000 2.333 134 L HA 0.445 4.798 4.340 0.022 0.000 0.269 134 L C -2.252 174.681 176.870 0.105 0.000 1.010 134 L CA -1.662 53.213 54.840 0.058 0.000 0.818 134 L CB 0.892 43.078 42.059 0.212 0.000 1.306 134 L HN -0.073 nan 8.230 nan 0.000 0.430 135 P HA 0.194 nan 4.420 nan 0.000 0.268 135 P C -1.222 176.193 177.300 0.192 0.000 1.204 135 P CA -0.018 63.143 63.100 0.101 0.000 0.768 135 P CB 0.835 32.568 31.700 0.054 0.000 0.842 136 M N 1.633 121.311 119.600 0.130 0.000 2.550 136 M HA 0.288 4.781 4.480 0.022 0.000 0.292 136 M C -0.335 176.013 176.300 0.081 0.000 1.221 136 M CA -1.264 54.133 55.300 0.162 0.000 0.873 136 M CB 2.670 35.331 32.600 0.101 0.000 1.727 136 M HN -0.002 nan 8.290 nan 0.000 0.459 137 V N 0.871 120.842 119.914 0.095 0.000 2.924 137 V HA 0.233 4.366 4.120 0.022 0.000 0.305 137 V C 0.297 176.360 176.094 -0.052 0.000 1.073 137 V CA -0.321 62.015 62.300 0.060 0.000 1.098 137 V CB 1.316 33.239 31.823 0.166 0.000 1.000 137 V HN 0.882 nan 8.190 nan 0.000 0.484 138 S N 3.880 119.488 115.700 -0.153 0.000 2.475 138 S HA 0.435 4.917 4.470 0.022 0.000 0.298 138 S C -1.239 172.940 174.600 -0.701 0.000 1.119 138 S CA -1.624 56.383 58.200 -0.322 0.000 1.085 138 S CB 1.654 64.732 63.200 -0.203 0.000 1.028 138 S HN 0.650 nan 8.310 nan 0.000 0.489 139 P HA -0.120 nan 4.420 nan 0.000 0.220 139 P C 0.360 177.150 177.300 -0.850 0.000 1.144 139 P CA 1.247 63.351 63.100 -1.660 0.000 0.800 139 P CB -0.227 30.740 31.700 -1.222 0.000 0.772 140 N N -0.161 118.288 118.700 -0.419 0.000 2.459 140 N HA -0.073 4.680 4.740 0.022 0.000 0.181 140 N C 0.672 176.099 175.510 -0.138 0.000 1.046 140 N CA 0.750 53.698 53.050 -0.171 0.000 0.904 140 N CB -0.426 38.001 38.487 -0.099 0.000 0.964 140 N HN 0.101 nan 8.380 nan 0.000 0.444 141 D N -0.225 120.070 120.400 -0.176 0.000 2.460 141 D HA 0.106 4.759 4.640 0.022 0.000 0.229 141 D C -0.549 175.870 176.300 0.198 0.000 1.170 141 D CA 0.034 54.026 54.000 -0.013 0.000 0.827 141 D CB -0.168 40.624 40.800 -0.013 0.000 0.973 141 D HN 0.250 nan 8.370 nan 0.000 0.496 142 F N 0.212 120.159 119.950 -0.005 0.000 2.425 142 F HA 0.420 4.960 4.527 0.021 0.000 0.331 142 F C 0.413 176.235 175.800 0.038 0.000 1.085 142 F CA -1.073 56.937 58.000 0.016 0.000 1.028 142 F CB 2.012 41.019 39.000 0.011 0.000 1.177 142 F HN -0.374 nan 8.300 nan 0.000 0.487 143 V N 4.074 124.139 119.914 0.250 0.000 2.443 143 V HA 0.318 4.451 4.120 0.022 0.000 0.293 143 V C -0.413 175.840 176.094 0.265 0.000 1.021 143 V CA -0.652 61.773 62.300 0.210 0.000 0.848 143 V CB 1.672 33.578 31.823 0.137 0.000 0.998 143 V HN 0.433 nan 8.190 nan 0.000 0.424 144 V N 3.744 123.762 119.914 0.174 0.000 2.630 144 V HA 0.880 5.013 4.120 0.022 0.000 0.305 144 V C 0.181 176.222 176.094 -0.089 0.000 1.046 144 V CA -0.065 62.257 62.300 0.036 0.000 0.934 144 V CB 1.862 33.690 31.823 0.008 0.000 1.003 144 V HN 0.930 nan 8.190 nan 0.000 0.451 145 S N 1.146 116.625 115.700 -0.369 0.000 2.724 145 S HA 0.924 5.407 4.470 0.022 0.000 0.278 145 S C -0.486 173.736 174.600 -0.631 0.000 1.190 145 S CA 0.342 58.206 58.200 -0.560 0.000 0.860 145 S CB 1.480 64.093 63.200 -0.979 0.000 1.206 145 S HN 2.004 nan 8.310 nan 0.000 0.507 146 G N -0.320 108.000 108.800 -0.801 0.000 2.369 146 G HA2 0.241 4.214 3.960 0.022 0.000 0.293 146 G HA3 0.241 4.214 3.960 0.022 0.000 0.293 146 G C -1.970 172.552 174.900 -0.630 0.000 1.301 146 G CA -0.470 44.145 45.100 -0.807 0.000 0.913 146 G HN 0.636 nan 8.290 nan 0.000 0.540 147 W N -0.272 120.955 121.300 -0.121 0.000 2.762 147 W HA 0.749 5.422 4.660 0.022 0.000 0.355 147 W C -0.741 175.690 176.519 -0.147 0.000 1.124 147 W CA -0.387 56.919 57.345 -0.065 0.000 1.141 147 W CB 2.302 31.828 29.460 0.110 0.000 1.432 147 W HN 0.637 nan 8.180 nan 0.000 0.586 148 D N 0.575 121.054 120.400 0.132 0.000 2.747 148 D HA 0.062 4.715 4.640 0.022 0.000 0.218 148 D C 0.342 176.635 176.300 -0.012 0.000 1.230 148 D CA -0.409 53.579 54.000 -0.019 0.000 0.774 148 D CB 1.806 42.563 40.800 -0.072 0.000 1.667 148 D HN 0.434 nan 8.370 nan 0.000 0.499 149 I N 0.436 120.968 120.570 -0.064 0.000 3.241 149 I HA 0.101 4.284 4.170 0.022 0.000 0.280 149 I C 0.375 176.431 176.117 -0.102 0.000 1.320 149 I CA 0.373 61.620 61.300 -0.087 0.000 1.413 149 I CB -0.143 37.736 38.000 -0.201 0.000 1.060 149 I HN 0.060 nan 8.210 nan 0.000 0.500 150 N N 2.798 121.445 118.700 -0.087 0.000 2.372 150 N HA 0.082 4.835 4.740 0.022 0.000 0.285 150 N C 0.122 175.601 175.510 -0.051 0.000 1.008 150 N CA -0.363 52.641 53.050 -0.076 0.000 0.880 150 N CB 1.239 39.674 38.487 -0.086 0.000 1.239 150 N HN 0.252 nan 8.380 nan 0.000 0.484 151 N N 2.523 121.201 118.700 -0.037 0.000 2.521 151 N HA 0.012 4.764 4.740 0.022 0.000 0.188 151 N C 0.362 175.857 175.510 -0.025 0.000 1.146 151 N CA -0.238 52.796 53.050 -0.025 0.000 0.893 151 N CB -0.019 38.460 38.487 -0.014 0.000 0.975 151 N HN 0.456 nan 8.380 nan 0.000 0.451 152 A N 0.995 123.797 122.820 -0.031 0.000 2.531 152 A HA 0.167 4.500 4.320 0.022 0.000 0.236 152 A C 0.088 177.660 177.584 -0.019 0.000 1.062 152 A CA -0.230 51.792 52.037 -0.024 0.000 0.760 152 A CB -0.344 18.635 19.000 -0.036 0.000 0.995 152 A HN 0.643 nan 8.150 nan 0.000 0.501 153 D N 1.058 121.459 120.400 0.002 0.000 2.368 153 D HA 0.168 4.821 4.640 0.022 0.000 0.240 153 D C 0.469 176.782 176.300 0.021 0.000 1.169 153 D CA -0.633 53.376 54.000 0.015 0.000 0.906 153 D CB 0.335 41.162 40.800 0.044 0.000 1.187 153 D HN 0.188 nan 8.370 nan 0.000 0.435 154 L N 0.897 122.132 121.223 0.020 0.000 2.651 154 L HA -0.099 4.254 4.340 0.022 0.000 0.236 154 L C 1.305 178.217 176.870 0.069 0.000 1.173 154 L CA 1.221 56.072 54.840 0.019 0.000 0.843 154 L CB -1.265 40.799 42.059 0.008 0.000 0.964 154 L HN 0.574 nan 8.230 nan 0.000 0.454 155 Y N 0.004 120.282 120.300 -0.036 0.000 2.230 155 Y HA -0.080 4.484 4.550 0.023 0.000 0.294 155 Y C 2.304 178.188 175.900 -0.028 0.000 1.120 155 Y CA 1.336 59.415 58.100 -0.035 0.000 1.129 155 Y CB -0.069 38.370 38.460 -0.034 0.000 1.040 155 Y HN 0.242 nan 8.280 nan 0.000 0.519 156 E N 0.368 120.480 120.200 -0.148 0.000 2.118 156 E HA -0.193 4.170 4.350 0.022 0.000 0.195 156 E C 2.296 178.788 176.600 -0.179 0.000 0.992 156 E CA 1.230 57.493 56.400 -0.228 0.000 0.804 156 E CB -0.314 29.335 29.700 -0.085 0.000 0.741 156 E HN 0.550 nan 8.360 nan 0.000 0.458 157 A N 0.808 123.564 122.820 -0.106 0.000 1.972 157 A HA -0.197 4.136 4.320 0.022 0.000 0.219 157 A C 2.122 179.646 177.584 -0.100 0.000 1.169 157 A CA 1.218 53.202 52.037 -0.088 0.000 0.635 157 A CB -0.362 18.599 19.000 -0.064 0.000 0.810 157 A HN 0.166 nan 8.150 nan 0.000 0.446 158 M N -1.126 118.403 119.600 -0.117 0.000 2.077 158 M HA -0.220 4.273 4.480 0.022 0.000 0.261 158 M C 2.547 178.765 176.300 -0.137 0.000 1.070 158 M CA 1.803 57.038 55.300 -0.108 0.000 1.125 158 M CB -0.515 32.036 32.600 -0.082 0.000 1.339 158 M HN 0.533 nan 8.290 nan 0.000 0.409 159 Q N -0.402 119.257 119.800 -0.236 0.000 2.014 159 Q HA -0.263 4.089 4.340 0.022 0.000 0.207 159 Q C 2.100 178.031 176.000 -0.115 0.000 0.993 159 Q CA 1.871 57.556 55.803 -0.196 0.000 0.850 159 Q CB -0.455 28.106 28.738 -0.296 0.000 0.916 159 Q HN 0.428 nan 8.270 nan 0.000 0.417 160 R N 0.317 120.747 120.500 -0.117 0.000 2.113 160 R HA -0.179 4.174 4.340 0.022 0.000 0.244 160 R C 2.079 178.347 176.300 -0.054 0.000 1.142 160 R CA 1.932 57.986 56.100 -0.076 0.000 0.953 160 R CB -0.203 30.052 30.300 -0.075 0.000 0.860 160 R HN 0.136 nan 8.270 nan 0.000 0.438 161 S N 0.677 116.341 115.700 -0.059 0.000 2.447 161 S HA -0.078 4.405 4.470 0.022 0.000 0.233 161 S C 0.274 174.856 174.600 -0.030 0.000 1.006 161 S CA 0.825 59.000 58.200 -0.042 0.000 0.957 161 S CB -0.002 63.170 63.200 -0.047 0.000 0.773 161 S HN 0.417 nan 8.310 nan 0.000 0.507 162 Q N -0.492 119.288 119.800 -0.034 0.000 2.435 162 Q HA -0.178 4.175 4.340 0.022 0.000 0.286 162 Q C 0.782 176.773 176.000 -0.015 0.000 1.229 162 Q CA 0.639 56.431 55.803 -0.020 0.000 0.884 162 Q CB -1.943 26.788 28.738 -0.012 0.000 1.245 162 Q HN 0.519 nan 8.270 nan 0.000 0.488 163 V N -1.705 118.194 119.914 -0.025 0.000 3.263 163 V HA 0.151 4.284 4.120 0.022 0.000 0.248 163 V C 0.323 176.395 176.094 -0.037 0.000 1.145 163 V CA 0.500 62.786 62.300 -0.023 0.000 1.107 163 V CB 0.494 32.303 31.823 -0.023 0.000 0.797 163 V HN 0.235 nan 8.190 nan 0.000 0.467 164 L N 1.331 122.521 121.223 -0.056 0.000 2.334 164 L HA 0.548 4.901 4.340 0.022 0.000 0.275 164 L C 0.390 177.207 176.870 -0.088 0.000 1.036 164 L CA -0.440 54.338 54.840 -0.103 0.000 0.807 164 L CB 1.206 43.183 42.059 -0.137 0.000 1.231 164 L HN 0.209 nan 8.230 nan 0.000 0.438 165 E N 1.007 121.118 120.200 -0.147 0.000 2.481 165 E HA -0.203 4.160 4.350 0.022 0.000 0.263 165 E C 0.316 176.900 176.600 -0.027 0.000 0.992 165 E CA 0.485 56.839 56.400 -0.076 0.000 0.938 165 E CB 0.393 30.010 29.700 -0.140 0.000 0.933 165 E HN 0.501 nan 8.360 nan 0.000 0.453 166 Y N 3.181 123.453 120.300 -0.048 0.000 2.403 166 Y HA -0.223 4.340 4.550 0.021 0.000 0.291 166 Y C 1.718 177.617 175.900 -0.001 0.000 1.143 166 Y CA 2.138 60.227 58.100 -0.019 0.000 1.257 166 Y CB 0.180 38.639 38.460 -0.001 0.000 0.984 166 Y HN 0.614 nan 8.280 nan 0.000 0.550 167 D N -0.466 119.906 120.400 -0.047 0.000 2.144 167 D HA -0.158 4.495 4.640 0.022 0.000 0.207 167 D C 2.140 178.363 176.300 -0.129 0.000 0.970 167 D CA 0.920 54.865 54.000 -0.092 0.000 0.853 167 D CB -0.377 40.469 40.800 0.078 0.000 1.007 167 D HN 0.327 nan 8.370 nan 0.000 0.469 168 L N 0.506 121.628 121.223 -0.170 0.000 2.450 168 L HA -0.107 4.246 4.340 0.022 0.000 0.224 168 L C 1.623 178.367 176.870 -0.210 0.000 1.149 168 L CA 1.326 55.997 54.840 -0.283 0.000 0.816 168 L CB -0.317 41.203 42.059 -0.899 0.000 0.932 168 L HN 0.285 nan 8.230 nan 0.000 0.449 169 Q N -1.256 118.430 119.800 -0.190 0.000 2.134 169 Q HA -0.125 4.228 4.340 0.022 0.000 0.195 169 Q C 2.035 177.997 176.000 -0.064 0.000 0.958 169 Q CA 0.760 56.504 55.803 -0.099 0.000 0.840 169 Q CB 0.271 28.962 28.738 -0.078 0.000 0.918 169 Q HN 0.525 nan 8.270 nan 0.000 0.467 170 Q N 0.421 120.080 119.800 -0.235 0.000 2.119 170 Q HA -0.086 4.267 4.340 0.022 0.000 0.201 170 Q C 1.896 177.789 176.000 -0.178 0.000 0.972 170 Q CA 1.089 56.751 55.803 -0.236 0.000 0.847 170 Q CB -0.160 28.352 28.738 -0.376 0.000 0.903 170 Q HN 0.314 nan 8.270 nan 0.000 0.433 171 R N 0.209 120.628 120.500 -0.134 0.000 2.152 171 R HA -0.008 4.345 4.340 0.022 0.000 0.232 171 R C 2.130 178.374 176.300 -0.093 0.000 1.117 171 R CA 0.751 56.797 56.100 -0.090 0.000 0.981 171 R CB -0.121 30.158 30.300 -0.036 0.000 0.870 171 R HN 0.242 nan 8.270 nan 0.000 0.451 172 L N 0.231 121.400 121.223 -0.091 0.000 2.477 172 L HA 0.043 4.396 4.340 0.022 0.000 0.220 172 L C 2.304 179.098 176.870 -0.127 0.000 1.106 172 L CA 0.243 55.039 54.840 -0.073 0.000 0.851 172 L CB -0.302 41.740 42.059 -0.029 0.000 0.994 172 L HN 0.126 nan 8.230 nan 0.000 0.462 173 K N 1.474 121.726 120.400 -0.246 0.000 2.030 173 K HA -0.320 4.012 4.320 0.022 0.000 0.222 173 K C 2.111 178.454 176.600 -0.430 0.000 1.056 173 K CA 2.422 58.333 56.287 -0.626 0.000 0.957 173 K CB -0.166 31.852 32.500 -0.802 0.000 0.727 173 K HN 0.267 nan 8.250 nan 0.000 0.452 174 A N 0.952 123.600 122.820 -0.286 0.000 1.859 174 A HA -0.265 4.068 4.320 0.022 0.000 0.217 174 A C 2.037 179.540 177.584 -0.135 0.000 1.198 174 A CA 2.340 54.262 52.037 -0.192 0.000 0.629 174 A CB -0.594 18.316 19.000 -0.149 0.000 0.830 174 A HN 0.443 nan 8.150 nan 0.000 0.446 175 K N -1.314 119.020 120.400 -0.111 0.000 2.025 175 K HA -0.049 4.284 4.320 0.022 0.000 0.207 175 K C 2.134 178.713 176.600 -0.035 0.000 1.049 175 K CA 1.410 57.658 56.287 -0.065 0.000 0.933 175 K CB -0.274 32.196 32.500 -0.050 0.000 0.714 175 K HN 0.359 nan 8.250 nan 0.000 0.438 176 M N 0.895 120.477 119.600 -0.030 0.000 2.202 176 M HA -0.105 4.388 4.480 0.022 0.000 0.262 176 M C 1.973 178.294 176.300 0.035 0.000 1.063 176 M CA 1.486 56.800 55.300 0.024 0.000 1.097 176 M CB -0.894 31.759 32.600 0.087 0.000 1.382 176 M HN -0.029 nan 8.290 nan 0.000 0.413 177 S N 0.740 116.431 115.700 -0.016 0.000 2.507 177 S HA 0.029 4.512 4.470 0.022 0.000 0.235 177 S C 1.878 176.476 174.600 -0.003 0.000 0.988 177 S CA 0.656 58.857 58.200 0.002 0.000 0.944 177 S CB -0.262 62.886 63.200 -0.087 0.000 0.762 177 S HN 0.463 nan 8.310 nan 0.000 0.526 178 L N 0.751 121.966 121.223 -0.014 0.000 2.477 178 L HA 0.159 4.512 4.340 0.022 0.000 0.220 178 L C 0.166 177.032 176.870 -0.007 0.000 1.106 178 L CA 0.064 54.897 54.840 -0.012 0.000 0.851 178 L CB -0.236 41.813 42.059 -0.016 0.000 0.994 178 L HN 0.075 nan 8.230 nan 0.000 0.462 179 V N 1.042 120.954 119.914 -0.003 0.000 2.530 179 V HA 0.217 4.350 4.120 0.022 0.000 0.282 179 V C 0.066 176.146 176.094 -0.023 0.000 1.048 179 V CA -0.321 61.970 62.300 -0.015 0.000 0.997 179 V CB 0.916 32.732 31.823 -0.011 0.000 0.987 179 V HN 0.171 nan 8.190 nan 0.000 0.477 180 K N 4.867 125.240 120.400 -0.044 0.000 2.482 180 K HA 0.484 4.816 4.320 0.022 0.000 0.251 180 K C -2.874 173.675 176.600 -0.084 0.000 0.936 180 K CA -1.708 54.550 56.287 -0.048 0.000 0.791 180 K CB 2.692 35.172 32.500 -0.033 0.000 1.213 180 K HN 0.382 nan 8.250 nan 0.000 0.428 181 P HA 0.158 nan 4.420 nan 0.000 0.276 181 P C -0.531 176.715 177.300 -0.091 0.000 1.230 181 P CA -0.352 62.680 63.100 -0.113 0.000 0.776 181 P CB 0.527 32.181 31.700 -0.076 0.000 0.888 182 L N 5.016 126.141 121.223 -0.164 0.000 2.461 182 L HA 0.235 4.588 4.340 0.022 0.000 0.272 182 L C -1.718 175.218 176.870 0.109 0.000 1.197 182 L CA -1.916 52.872 54.840 -0.087 0.000 0.836 182 L CB -0.260 41.626 42.059 -0.289 0.000 1.105 182 L HN 0.254 nan 8.230 nan 0.000 0.477 183 P HA -0.014 nan 4.420 nan 0.000 0.266 183 P C -0.534 176.923 177.300 0.262 0.000 1.195 183 P CA 0.038 63.226 63.100 0.146 0.000 0.768 183 P CB 1.349 33.108 31.700 0.098 0.000 0.838 184 S N 2.268 118.093 115.700 0.208 0.000 2.768 184 S HA 0.548 5.030 4.470 0.022 0.000 0.300 184 S C 0.067 174.720 174.600 0.089 0.000 1.122 184 S CA -0.965 57.377 58.200 0.238 0.000 0.995 184 S CB 0.318 63.665 63.200 0.245 0.000 1.195 184 S HN 0.277 nan 8.310 nan 0.000 0.547 185 I N 2.306 122.900 120.570 0.041 0.000 2.396 185 I HA 0.283 4.466 4.170 0.022 0.000 0.292 185 I C -1.152 174.949 176.117 -0.027 0.000 0.999 185 I CA -0.389 60.813 61.300 -0.164 0.000 1.310 185 I CB 0.946 38.688 38.000 -0.430 0.000 1.404 185 I HN 0.575 nan 8.210 nan 0.000 0.496 186 Y N 7.580 127.770 120.300 -0.182 0.000 2.705 186 Y HA 0.369 4.931 4.550 0.019 0.000 0.355 186 Y C -1.424 174.560 175.900 0.140 0.000 1.039 186 Y CA -1.230 56.850 58.100 -0.032 0.000 1.233 186 Y CB 0.230 38.702 38.460 0.020 0.000 1.103 186 Y HN 0.368 nan 8.280 nan 0.000 0.624 187 Y N 7.615 127.847 120.300 -0.114 0.000 2.595 187 Y HA 0.211 4.773 4.550 0.020 0.000 0.347 187 Y C -1.301 174.504 175.900 -0.160 0.000 1.025 187 Y CA -2.216 55.815 58.100 -0.116 0.000 1.295 187 Y CB 0.768 39.309 38.460 0.135 0.000 1.147 187 Y HN 0.454 nan 8.280 nan 0.000 0.515 188 P HA -0.211 nan 4.420 nan 0.000 0.216 188 P C 0.556 177.880 177.300 0.040 0.000 1.150 188 P CA 1.390 64.337 63.100 -0.255 0.000 0.837 188 P CB 0.402 31.872 31.700 -0.384 0.000 0.786 189 D N -1.749 118.654 120.400 0.005 0.000 2.400 189 D HA -0.028 4.625 4.640 0.022 0.000 0.242 189 D C 0.871 177.060 176.300 -0.185 0.000 1.077 189 D CA 0.534 54.482 54.000 -0.087 0.000 0.943 189 D CB -0.779 39.914 40.800 -0.178 0.000 0.882 189 D HN 0.215 nan 8.370 nan 0.000 0.529 190 F N -0.556 119.436 119.950 0.069 0.000 2.727 190 F HA 0.261 4.801 4.527 0.022 0.000 0.302 190 F C 1.100 176.955 175.800 0.092 0.000 1.107 190 F CA -0.304 57.745 58.000 0.082 0.000 1.277 190 F CB 0.489 39.551 39.000 0.104 0.000 1.079 190 F HN -0.125 nan 8.300 nan 0.000 0.594 191 I N -2.173 118.559 120.570 0.269 0.000 3.217 191 I HA 0.756 4.939 4.170 0.022 0.000 0.308 191 I C 0.215 176.419 176.117 0.146 0.000 1.091 191 I CA -1.614 59.816 61.300 0.217 0.000 1.013 191 I CB 1.017 39.168 38.000 0.252 0.000 1.250 191 I HN -0.232 nan 8.210 nan 0.000 0.496 192 A N 2.470 125.360 122.820 0.116 0.000 2.541 192 A HA 0.547 4.880 4.320 0.022 0.000 0.293 192 A C 0.871 178.505 177.584 0.083 0.000 1.307 192 A CA 0.124 52.206 52.037 0.076 0.000 0.978 192 A CB -1.247 17.781 19.000 0.047 0.000 1.111 192 A HN 1.079 nan 8.150 nan 0.000 0.535 193 A N 3.284 126.153 122.820 0.082 0.000 2.677 193 A HA 0.035 4.368 4.320 0.022 0.000 0.238 193 A C 1.143 178.776 177.584 0.083 0.000 1.157 193 A CA 1.128 53.219 52.037 0.090 0.000 0.879 193 A CB -0.400 18.635 19.000 0.059 0.000 1.054 193 A HN 1.483 nan 8.150 nan 0.000 0.521 194 N N -1.248 117.510 118.700 0.096 0.000 2.756 194 N HA -0.139 4.614 4.740 0.022 0.000 0.248 194 N C -0.462 175.080 175.510 0.054 0.000 1.062 194 N CA 0.621 53.715 53.050 0.072 0.000 0.696 194 N CB -0.409 38.104 38.487 0.043 0.000 0.946 194 N HN 0.607 nan 8.380 nan 0.000 0.548 195 Q N 0.181 120.029 119.800 0.080 0.000 2.263 195 Q HA 0.130 4.483 4.340 0.022 0.000 0.337 195 Q C -0.155 175.795 176.000 -0.082 0.000 0.906 195 Q CA -0.045 55.754 55.803 -0.007 0.000 1.124 195 Q CB 0.551 29.292 28.738 0.006 0.000 1.255 195 Q HN 0.451 nan 8.270 nan 0.000 0.435 196 D N -0.724 119.677 120.400 0.003 0.000 2.392 196 D HA -0.059 4.593 4.640 0.022 0.000 0.206 196 D C 1.096 177.383 176.300 -0.021 0.000 1.046 196 D CA 0.060 54.067 54.000 0.012 0.000 0.865 196 D CB 0.608 41.470 40.800 0.103 0.000 0.969 196 D HN 0.333 nan 8.370 nan 0.000 0.509 197 E N 0.424 120.610 120.200 -0.023 0.000 2.481 197 E HA -0.023 4.340 4.350 0.022 0.000 0.195 197 E C 1.759 178.329 176.600 -0.049 0.000 1.047 197 E CA 0.294 56.681 56.400 -0.023 0.000 0.867 197 E CB 0.358 30.051 29.700 -0.012 0.000 0.858 197 E HN -0.053 nan 8.360 nan 0.000 0.513 198 R N 0.063 120.511 120.500 -0.086 0.000 2.084 198 R HA 0.256 4.609 4.340 0.022 0.000 0.209 198 R C 0.529 176.737 176.300 -0.153 0.000 1.173 198 R CA 0.693 56.723 56.100 -0.115 0.000 1.053 198 R CB -0.574 29.644 30.300 -0.137 0.000 0.948 198 R HN 0.017 nan 8.270 nan 0.000 0.460 199 A N 4.082 126.744 122.820 -0.263 0.000 2.532 199 A HA -0.030 4.303 4.320 0.022 0.000 0.269 199 A C 0.195 177.703 177.584 -0.127 0.000 1.079 199 A CA 0.550 52.400 52.037 -0.313 0.000 0.800 199 A CB -0.615 17.980 19.000 -0.676 0.000 1.000 199 A HN 0.606 nan 8.150 nan 0.000 0.522 200 N N 1.202 119.854 118.700 -0.081 0.000 2.550 200 N HA 0.070 4.823 4.740 0.022 0.000 0.277 200 N C -0.976 174.525 175.510 -0.015 0.000 1.595 200 N CA -0.403 52.630 53.050 -0.028 0.000 0.888 200 N CB -0.315 38.156 38.487 -0.026 0.000 1.424 200 N HN 0.427 nan 8.380 nan 0.000 0.501 201 N N 0.249 118.943 118.700 -0.011 0.000 3.029 201 N HA 0.241 4.994 4.740 0.022 0.000 0.198 201 N C -2.052 173.479 175.510 0.035 0.000 1.444 201 N CA -0.074 52.983 53.050 0.011 0.000 0.784 201 N CB -0.056 38.431 38.487 -0.001 0.000 1.539 201 N HN 0.327 nan 8.380 nan 0.000 0.582 202 C N 1.351 120.683 119.300 0.052 0.000 2.563 202 C HA 0.546 5.019 4.460 0.022 0.000 0.314 202 C C 2.017 177.038 174.990 0.053 0.000 1.199 202 C CA -0.961 58.097 59.018 0.067 0.000 1.564 202 C CB 0.550 28.357 27.740 0.111 0.000 2.173 202 C HN 0.716 nan 8.230 nan 0.000 0.485 203 I N 0.264 120.849 120.570 0.026 0.000 3.645 203 I HA 0.105 4.288 4.170 0.022 0.000 0.300 203 I C 0.851 176.974 176.117 0.011 0.000 1.260 203 I CA 0.527 61.845 61.300 0.030 0.000 1.365 203 I CB -0.285 37.731 38.000 0.027 0.000 1.077 203 I HN 0.716 nan 8.210 nan 0.000 0.439 204 N N 3.897 122.530 118.700 -0.112 0.000 2.968 204 N HA 0.290 5.043 4.740 0.022 0.000 0.271 204 N C -0.719 174.815 175.510 0.039 0.000 1.174 204 N CA -0.001 52.918 53.050 -0.220 0.000 1.096 204 N CB 0.394 38.520 38.487 -0.602 0.000 1.403 204 N HN 0.467 nan 8.380 nan 0.000 0.522 205 L N 0.278 121.570 121.223 0.116 0.000 2.271 205 L HA 0.556 4.909 4.340 0.022 0.000 0.265 205 L C -0.092 176.851 176.870 0.123 0.000 1.013 205 L CA -1.182 53.723 54.840 0.108 0.000 0.820 205 L CB 1.454 43.563 42.059 0.084 0.000 1.352 205 L HN 0.325 nan 8.230 nan 0.000 0.443 206 D N -2.056 118.398 120.400 0.090 0.000 2.553 206 D HA 0.269 4.922 4.640 0.022 0.000 0.249 206 D C 0.271 176.606 176.300 0.058 0.000 1.062 206 D CA -0.626 53.419 54.000 0.075 0.000 1.085 206 D CB 0.779 41.617 40.800 0.063 0.000 1.350 206 D HN 0.394 nan 8.370 nan 0.000 0.575 207 E N -0.748 119.480 120.200 0.046 0.000 2.187 207 E HA -0.150 4.213 4.350 0.022 0.000 0.199 207 E C 0.190 176.812 176.600 0.036 0.000 1.004 207 E CA 1.355 57.777 56.400 0.038 0.000 0.813 207 E CB -0.210 29.508 29.700 0.030 0.000 0.736 207 E HN 0.189 nan 8.360 nan 0.000 0.468 208 K N -0.231 120.190 120.400 0.036 0.000 3.016 208 K HA 0.351 4.684 4.320 0.022 0.000 0.226 208 K C 0.625 177.248 176.600 0.039 0.000 1.245 208 K CA 0.378 56.685 56.287 0.034 0.000 1.174 208 K CB 0.480 32.997 32.500 0.028 0.000 1.572 208 K HN 0.192 nan 8.250 nan 0.000 0.462 209 G N 1.473 110.299 108.800 0.043 0.000 4.608 209 G HA2 -0.469 3.504 3.960 0.022 0.000 0.352 209 G HA3 -0.469 3.504 3.960 0.022 0.000 0.352 209 G C 0.376 175.310 174.900 0.058 0.000 1.395 209 G CA 0.440 45.569 45.100 0.049 0.000 1.148 209 G HN 0.633 nan 8.290 nan 0.000 0.804 210 N N 0.490 119.222 118.700 0.055 0.000 1.714 210 N HA 0.043 4.796 4.740 0.022 0.000 0.351 210 N C 0.623 176.176 175.510 0.073 0.000 1.210 210 N CA 0.571 53.658 53.050 0.062 0.000 0.786 210 N CB 0.341 38.857 38.487 0.049 0.000 0.995 210 N HN 0.476 nan 8.380 nan 0.000 0.514 211 V N 1.747 121.714 119.914 0.088 0.000 2.788 211 V HA 0.068 4.201 4.120 0.022 0.000 0.307 211 V C 0.842 176.974 176.094 0.063 0.000 1.069 211 V CA 0.597 62.954 62.300 0.095 0.000 1.173 211 V CB 1.302 33.199 31.823 0.124 0.000 0.925 211 V HN 0.701 nan 8.190 nan 0.000 0.492 212 T N 1.909 116.509 114.554 0.076 0.000 2.900 212 T HA 0.338 4.700 4.350 0.022 0.000 0.303 212 T C 0.416 175.176 174.700 0.099 0.000 1.142 212 T CA 0.225 62.370 62.100 0.075 0.000 1.007 212 T CB 2.018 70.944 68.868 0.098 0.000 1.156 212 T HN 0.804 nan 8.240 nan 0.000 0.490 213 T N 1.506 116.064 114.554 0.008 0.000 3.022 213 T HA 0.283 4.646 4.350 0.022 0.000 0.250 213 T C 0.707 175.378 174.700 -0.049 0.000 1.060 213 T CA -0.031 61.971 62.100 -0.163 0.000 1.013 213 T CB -0.168 68.541 68.868 -0.265 0.000 0.982 213 T HN 0.481 nan 8.240 nan 0.000 0.508 214 R N 0.316 120.844 120.500 0.047 0.000 2.308 214 R HA 0.467 4.820 4.340 0.022 0.000 0.305 214 R C 0.616 176.953 176.300 0.061 0.000 1.053 214 R CA 0.887 57.008 56.100 0.034 0.000 0.957 214 R CB 0.364 30.674 30.300 0.016 0.000 1.022 214 R HN 0.386 nan 8.270 nan 0.000 0.461 215 G N 3.526 112.294 108.800 -0.053 0.000 2.145 215 G HA2 -0.184 3.789 3.960 0.022 0.000 0.145 215 G HA3 -0.184 3.789 3.960 0.022 0.000 0.145 215 G C 0.565 175.105 174.900 -0.600 0.000 1.017 215 G CA -0.060 44.879 45.100 -0.268 0.000 0.682 215 G HN 0.709 nan 8.290 nan 0.000 0.504 216 K N -0.831 119.481 120.400 -0.148 0.000 2.366 216 K HA -0.139 4.194 4.320 0.022 0.000 0.202 216 K C 1.861 178.477 176.600 0.026 0.000 1.045 216 K CA 1.487 57.835 56.287 0.102 0.000 0.934 216 K CB -0.056 32.558 32.500 0.190 0.000 0.746 216 K HN 0.667 nan 8.250 nan 0.000 0.470 217 W N 1.593 122.792 121.300 -0.168 0.000 2.526 217 W HA -0.135 4.538 4.660 0.021 0.000 0.294 217 W C 2.072 178.511 176.519 -0.133 0.000 1.181 217 W CA 1.830 59.106 57.345 -0.116 0.000 1.373 217 W CB -0.220 29.185 29.460 -0.092 0.000 1.112 217 W HN 0.159 nan 8.180 nan 0.000 0.545 218 T N -1.502 113.008 114.554 -0.074 0.000 2.833 218 T HA -0.262 4.101 4.350 0.022 0.000 0.269 218 T C 1.555 176.177 174.700 -0.129 0.000 1.054 218 T CA 1.732 63.773 62.100 -0.099 0.000 1.135 218 T CB -0.899 67.925 68.868 -0.074 0.000 0.869 218 T HN 0.093 nan 8.240 nan 0.000 0.466 219 H N 1.018 120.037 119.070 -0.085 0.000 2.353 219 H HA 0.081 4.650 4.556 0.022 0.000 0.300 219 H C 2.299 177.451 175.328 -0.292 0.000 1.090 219 H CA 1.413 57.373 56.048 -0.147 0.000 1.327 219 H CB -0.890 28.815 29.762 -0.095 0.000 1.383 219 H HN 0.335 nan 8.280 nan 0.000 0.508 220 L N 1.201 122.265 121.223 -0.266 0.000 1.970 220 L HA -0.188 4.165 4.340 0.022 0.000 0.212 220 L C 2.276 178.896 176.870 -0.416 0.000 1.071 220 L CA 1.708 56.274 54.840 -0.456 0.000 0.751 220 L CB -0.699 40.924 42.059 -0.726 0.000 0.889 220 L HN 0.051 nan 8.230 nan 0.000 0.432 221 Q N -0.174 119.362 119.800 -0.441 0.000 2.096 221 Q HA -0.298 4.055 4.340 0.022 0.000 0.208 221 Q C 2.471 178.387 176.000 -0.140 0.000 0.993 221 Q CA 2.098 57.742 55.803 -0.266 0.000 0.862 221 Q CB -0.716 27.921 28.738 -0.168 0.000 0.915 221 Q HN 0.444 nan 8.270 nan 0.000 0.416 222 R N 0.757 121.192 120.500 -0.107 0.000 2.193 222 R HA -0.071 4.282 4.340 0.022 0.000 0.229 222 R C 1.880 178.166 176.300 -0.023 0.000 1.110 222 R CA 0.905 56.984 56.100 -0.035 0.000 0.988 222 R CB -0.393 29.907 30.300 0.001 0.000 0.871 222 R HN 0.206 nan 8.270 nan 0.000 0.458 223 I N 0.292 120.776 120.570 -0.143 0.000 2.277 223 I HA -0.090 4.093 4.170 0.022 0.000 0.243 223 I C 2.072 178.211 176.117 0.037 0.000 1.094 223 I CA 1.106 62.326 61.300 -0.134 0.000 1.393 223 I CB -0.975 36.695 38.000 -0.550 0.000 1.078 223 I HN 0.191 nan 8.210 nan 0.000 0.417 224 R N 0.521 120.991 120.500 -0.049 0.000 2.091 224 R HA -0.228 4.125 4.340 0.022 0.000 0.238 224 R C 2.357 178.695 176.300 0.063 0.000 1.136 224 R CA 1.517 57.620 56.100 0.005 0.000 0.959 224 R CB -0.443 29.822 30.300 -0.057 0.000 0.856 224 R HN 0.195 nan 8.270 nan 0.000 0.437 225 R N 1.615 122.146 120.500 0.051 0.000 2.070 225 R HA -0.139 4.214 4.340 0.022 0.000 0.233 225 R C 1.422 177.792 176.300 0.116 0.000 1.137 225 R CA 2.043 58.185 56.100 0.070 0.000 0.945 225 R CB -0.721 29.611 30.300 0.053 0.000 0.845 225 R HN 0.154 nan 8.270 nan 0.000 0.430 226 D N 0.134 120.636 120.400 0.171 0.000 2.182 226 D HA -0.137 4.516 4.640 0.022 0.000 0.201 226 D C 1.956 178.383 176.300 0.212 0.000 0.986 226 D CA 1.531 55.648 54.000 0.195 0.000 0.847 226 D CB -0.065 40.946 40.800 0.351 0.000 0.942 226 D HN 0.358 nan 8.370 nan 0.000 0.467 227 I N 0.757 121.489 120.570 0.269 0.000 2.133 227 I HA -0.271 3.912 4.170 0.022 0.000 0.238 227 I C 2.519 178.764 176.117 0.214 0.000 1.074 227 I CA 0.986 62.453 61.300 0.279 0.000 1.342 227 I CB -0.317 37.834 38.000 0.252 0.000 1.053 227 I HN -0.049 nan 8.210 nan 0.000 0.404 228 Q N 0.591 120.476 119.800 0.142 0.000 2.045 228 Q HA -0.273 4.080 4.340 0.022 0.000 0.206 228 Q C 2.132 178.183 176.000 0.085 0.000 0.991 228 Q CA 2.032 57.890 55.803 0.093 0.000 0.851 228 Q CB -0.405 28.372 28.738 0.066 0.000 0.911 228 Q HN 0.429 nan 8.270 nan 0.000 0.418 229 N N 0.426 119.184 118.700 0.097 0.000 2.061 229 N HA -0.203 4.550 4.740 0.022 0.000 0.193 229 N C 1.559 177.131 175.510 0.104 0.000 1.030 229 N CA 1.385 54.484 53.050 0.083 0.000 0.856 229 N CB -0.265 38.272 38.487 0.082 0.000 1.023 229 N HN 0.203 nan 8.380 nan 0.000 0.424 230 F N 1.873 121.810 119.950 -0.021 0.000 2.075 230 F HA -0.063 4.477 4.527 0.022 0.000 0.297 230 F C 2.514 178.299 175.800 -0.025 0.000 1.113 230 F CA 1.663 59.636 58.000 -0.046 0.000 1.218 230 F CB -0.668 38.284 39.000 -0.081 0.000 0.984 230 F HN -0.001 nan 8.300 nan 0.000 0.472 231 K N 0.155 120.501 120.400 -0.090 0.000 2.044 231 K HA -0.253 4.080 4.320 0.022 0.000 0.210 231 K C 2.333 178.826 176.600 -0.178 0.000 1.049 231 K CA 1.845 58.013 56.287 -0.198 0.000 0.927 231 K CB -0.417 32.070 32.500 -0.021 0.000 0.713 231 K HN 0.378 nan 8.250 nan 0.000 0.443 232 E N 1.067 121.217 120.200 -0.084 0.000 2.006 232 E HA -0.230 4.133 4.350 0.022 0.000 0.192 232 E C 1.864 178.416 176.600 -0.080 0.000 0.993 232 E CA 1.632 57.995 56.400 -0.062 0.000 0.808 232 E CB -0.200 29.489 29.700 -0.019 0.000 0.764 232 E HN 0.469 nan 8.360 nan 0.000 0.449 233 E N 0.143 120.304 120.200 -0.064 0.000 2.273 233 E HA -0.225 4.138 4.350 0.022 0.000 0.198 233 E C 1.030 177.573 176.600 -0.095 0.000 1.002 233 E CA 1.555 57.922 56.400 -0.055 0.000 0.828 233 E CB -0.302 29.388 29.700 -0.016 0.000 0.747 233 E HN 0.216 nan 8.360 nan 0.000 0.491 234 N N -0.150 118.439 118.700 -0.185 0.000 2.220 234 N HA 0.248 5.001 4.740 0.022 0.000 0.195 234 N C -0.271 175.133 175.510 -0.178 0.000 1.123 234 N CA 0.613 53.533 53.050 -0.217 0.000 0.874 234 N CB 0.980 39.213 38.487 -0.423 0.000 0.995 234 N HN 0.290 nan 8.380 nan 0.000 0.498 235 A N 0.333 123.061 122.820 -0.155 0.000 2.734 235 A HA -0.156 4.177 4.320 0.022 0.000 0.296 235 A C -0.680 176.834 177.584 -0.116 0.000 1.474 235 A CA 0.467 52.439 52.037 -0.108 0.000 0.735 235 A CB -1.970 16.987 19.000 -0.072 0.000 1.062 235 A HN 0.110 nan 8.150 nan 0.000 0.463 236 L N -0.766 120.363 121.223 -0.157 0.000 2.313 236 L HA 0.752 5.105 4.340 0.022 0.000 0.268 236 L C 0.970 177.790 176.870 -0.083 0.000 1.010 236 L CA 0.380 55.141 54.840 -0.132 0.000 0.814 236 L CB 1.519 43.454 42.059 -0.206 0.000 1.304 236 L HN 0.506 nan 8.230 nan 0.000 0.441 237 D N -1.400 118.972 120.400 -0.047 0.000 2.602 237 D HA 0.123 4.776 4.640 0.022 0.000 0.284 237 D C 0.090 176.389 176.300 -0.001 0.000 1.065 237 D CA 0.057 54.044 54.000 -0.021 0.000 0.923 237 D CB 0.504 41.295 40.800 -0.015 0.000 1.373 237 D HN 0.233 nan 8.370 nan 0.000 0.492 238 K N 0.926 121.327 120.400 0.002 0.000 2.172 238 K HA 0.638 4.971 4.320 0.022 0.000 0.276 238 K C -1.456 175.163 176.600 0.032 0.000 1.013 238 K CA -0.517 55.784 56.287 0.023 0.000 0.913 238 K CB 1.807 34.320 32.500 0.022 0.000 1.055 238 K HN -0.166 nan 8.250 nan 0.000 0.461 239 V N 5.094 125.044 119.914 0.061 0.000 2.924 239 V HA 0.392 4.525 4.120 0.022 0.000 0.300 239 V C -1.237 174.911 176.094 0.091 0.000 1.227 239 V CA -0.749 61.608 62.300 0.095 0.000 0.954 239 V CB 2.074 33.998 31.823 0.169 0.000 1.055 239 V HN 0.648 nan 8.190 nan 0.000 0.429 240 I N 4.490 125.090 120.570 0.050 0.000 2.569 240 I HA 0.622 4.805 4.170 0.022 0.000 0.296 240 I C -0.808 175.328 176.117 0.032 0.000 1.028 240 I CA -1.057 60.266 61.300 0.038 0.000 1.082 240 I CB 2.298 40.280 38.000 -0.030 0.000 1.264 240 I HN 0.240 nan 8.210 nan 0.000 0.429 241 V N 6.429 126.384 119.914 0.068 0.000 2.459 241 V HA 0.447 4.580 4.120 0.022 0.000 0.295 241 V C -0.497 175.513 176.094 -0.140 0.000 1.029 241 V CA -0.616 61.715 62.300 0.052 0.000 0.874 241 V CB 2.009 33.963 31.823 0.218 0.000 0.985 241 V HN 0.461 nan 8.190 nan 0.000 0.438 242 L N 5.332 126.456 121.223 -0.165 0.000 2.343 242 L HA 0.529 4.882 4.340 0.022 0.000 0.278 242 L C -0.761 175.970 176.870 -0.231 0.000 0.996 242 L CA -0.300 54.402 54.840 -0.231 0.000 0.831 242 L CB 1.201 43.170 42.059 -0.150 0.000 1.232 242 L HN 0.838 nan 8.230 nan 0.000 0.413 243 W N 5.786 126.795 121.300 -0.485 0.000 2.437 243 W HA 0.247 4.918 4.660 0.018 0.000 0.312 243 W C -0.588 175.796 176.519 -0.225 0.000 1.242 243 W CA -0.221 56.902 57.345 -0.369 0.000 1.340 243 W CB 1.357 30.622 29.460 -0.325 0.000 1.327 243 W HN 0.628 nan 8.180 nan 0.000 0.476 244 T N 4.858 119.045 114.554 -0.612 0.000 3.533 244 T HA 0.484 4.847 4.350 0.022 0.000 0.275 244 T C 0.055 174.392 174.700 -0.605 0.000 1.000 244 T CA 0.085 61.941 62.100 -0.407 0.000 1.015 244 T CB -0.709 68.017 68.868 -0.235 0.000 1.153 244 T HN 0.467 nan 8.240 nan 0.000 0.504 245 A N 1.622 123.721 122.820 -1.200 0.000 3.158 245 A HA 0.801 5.134 4.320 0.022 0.000 0.217 245 A C 0.051 177.466 177.584 -0.282 0.000 1.469 245 A CA -0.849 50.630 52.037 -0.929 0.000 0.885 245 A CB 0.200 18.233 19.000 -1.610 0.000 1.662 245 A HN 0.640 nan 8.150 nan 0.000 0.512 246 N N 0.045 118.692 118.700 -0.087 0.000 2.344 246 N HA 0.254 5.007 4.740 0.022 0.000 0.236 246 N C -0.480 175.234 175.510 0.341 0.000 1.279 246 N CA 0.447 53.576 53.050 0.131 0.000 0.882 246 N CB -0.112 38.460 38.487 0.142 0.000 1.110 246 N HN 0.387 nan 8.380 nan 0.000 0.436 247 T N 1.012 115.693 114.554 0.212 0.000 2.780 247 T HA 0.156 4.519 4.350 0.022 0.000 0.294 247 T C 0.077 174.864 174.700 0.144 0.000 0.949 247 T CA -0.334 61.870 62.100 0.174 0.000 1.074 247 T CB 0.156 69.092 68.868 0.114 0.000 0.910 247 T HN 0.372 nan 8.240 nan 0.000 0.501 248 E N 1.834 122.077 120.200 0.071 0.000 2.250 248 E HA 0.349 4.712 4.350 0.022 0.000 0.265 248 E C 0.304 176.957 176.600 0.089 0.000 1.033 248 E CA -0.997 55.461 56.400 0.098 0.000 0.888 248 E CB 1.086 30.800 29.700 0.024 0.000 1.151 248 E HN 0.552 nan 8.360 nan 0.000 0.412 249 R N 1.081 121.694 120.500 0.190 0.000 2.543 249 R HA 0.129 4.482 4.340 0.022 0.000 0.277 249 R C -0.723 175.722 176.300 0.242 0.000 1.074 249 R CA -0.393 55.833 56.100 0.211 0.000 1.076 249 R CB 0.158 30.533 30.300 0.124 0.000 0.993 249 R HN 0.400 nan 8.270 nan 0.000 0.459 250 Y N 1.344 121.688 120.300 0.072 0.000 2.321 250 Y HA 0.124 4.687 4.550 0.021 0.000 0.353 250 Y C 0.923 176.885 175.900 0.102 0.000 1.276 250 Y CA -0.196 57.944 58.100 0.065 0.000 1.545 250 Y CB 0.433 38.916 38.460 0.037 0.000 1.377 250 Y HN 0.512 nan 8.280 nan 0.000 0.650 251 V N -1.567 118.499 119.914 0.254 0.000 2.735 251 V HA 0.439 4.572 4.120 0.022 0.000 0.310 251 V C -0.576 175.606 176.094 0.146 0.000 1.061 251 V CA -1.480 60.942 62.300 0.204 0.000 0.913 251 V CB 1.725 33.667 31.823 0.197 0.000 1.005 251 V HN 0.772 nan 8.190 nan 0.000 0.428 252 E N 2.424 122.692 120.200 0.114 0.000 2.299 252 E HA 0.286 4.649 4.350 0.022 0.000 0.272 252 E C -0.834 175.800 176.600 0.057 0.000 1.043 252 E CA -0.453 55.994 56.400 0.079 0.000 0.895 252 E CB 1.491 31.231 29.700 0.067 0.000 1.011 252 E HN 0.716 nan 8.360 nan 0.000 0.432 253 V N 5.740 125.684 119.914 0.049 0.000 2.276 253 V HA 0.065 4.198 4.120 0.022 0.000 0.249 253 V C -0.062 176.044 176.094 0.020 0.000 1.160 253 V CA -0.250 62.067 62.300 0.029 0.000 1.042 253 V CB -0.137 31.710 31.823 0.039 0.000 1.224 253 V HN 0.607 nan 8.190 nan 0.000 0.496 254 S N 5.082 120.785 115.700 0.006 0.000 2.475 254 S HA 0.683 5.166 4.470 0.022 0.000 0.298 254 S C -2.732 171.865 174.600 -0.006 0.000 1.119 254 S CA -1.920 56.285 58.200 0.009 0.000 1.085 254 S CB 1.758 64.972 63.200 0.023 0.000 1.028 254 S HN 0.368 nan 8.310 nan 0.000 0.489 255 P HA 0.259 nan 4.420 nan 0.000 0.267 255 P C 1.189 178.486 177.300 -0.004 0.000 1.201 255 P CA 1.217 64.317 63.100 0.000 0.000 0.775 255 P CB 0.149 31.853 31.700 0.008 0.000 0.854 256 G N -0.143 108.652 108.800 -0.009 0.000 2.199 256 G HA2 -0.259 3.714 3.960 0.022 0.000 0.254 256 G HA3 -0.259 3.714 3.960 0.022 0.000 0.254 256 G C 0.501 175.382 174.900 -0.032 0.000 0.982 256 G CA 0.346 45.441 45.100 -0.008 0.000 0.632 256 G HN 0.608 nan 8.290 nan 0.000 0.529 257 V N -1.056 118.815 119.914 -0.071 0.000 3.219 257 V HA 0.326 4.459 4.120 0.022 0.000 0.214 257 V C 1.503 177.513 176.094 -0.141 0.000 1.433 257 V CA 1.616 63.820 62.300 -0.160 0.000 1.301 257 V CB -0.174 31.421 31.823 -0.381 0.000 1.160 257 V HN 0.302 nan 8.190 nan 0.000 0.505 258 N N 0.678 119.317 118.700 -0.101 0.000 2.282 258 N HA -0.016 4.737 4.740 0.022 0.000 0.185 258 N C 0.754 176.247 175.510 -0.027 0.000 1.099 258 N CA 0.743 53.755 53.050 -0.064 0.000 0.878 258 N CB 0.320 38.779 38.487 -0.046 0.000 0.993 258 N HN 0.748 nan 8.380 nan 0.000 0.481 259 D N 1.516 121.905 120.400 -0.018 0.000 2.036 259 D HA -0.116 4.536 4.640 0.022 0.000 0.236 259 D C 0.956 177.261 176.300 0.007 0.000 0.976 259 D CA 0.999 55.000 54.000 0.001 0.000 0.918 259 D CB -1.185 39.618 40.800 0.005 0.000 1.094 259 D HN -0.005 nan 8.370 nan 0.000 0.459 260 T N -2.349 112.209 114.554 0.006 0.000 2.907 260 T HA 0.225 4.588 4.350 0.022 0.000 0.298 260 T C 1.430 176.134 174.700 0.006 0.000 1.017 260 T CA -0.474 61.633 62.100 0.013 0.000 1.118 260 T CB 1.521 70.399 68.868 0.015 0.000 0.948 260 T HN 0.294 nan 8.240 nan 0.000 0.531 261 M N 1.629 121.236 119.600 0.012 0.000 2.124 261 M HA -0.272 4.221 4.480 0.022 0.000 0.253 261 M C 2.179 178.473 176.300 -0.010 0.000 1.077 261 M CA 2.428 57.726 55.300 -0.002 0.000 1.085 261 M CB -0.419 32.177 32.600 -0.008 0.000 1.320 261 M HN 0.873 nan 8.290 nan 0.000 0.404 262 E N 0.450 120.645 120.200 -0.009 0.000 2.058 262 E HA -0.226 4.137 4.350 0.022 0.000 0.194 262 E C 1.523 178.114 176.600 -0.014 0.000 0.997 262 E CA 1.782 58.173 56.400 -0.014 0.000 0.801 262 E CB -1.311 28.383 29.700 -0.012 0.000 0.746 262 E HN 0.666 nan 8.360 nan 0.000 0.450 263 N N 1.253 119.946 118.700 -0.013 0.000 2.120 263 N HA -0.131 4.622 4.740 0.022 0.000 0.188 263 N C 2.089 177.589 175.510 -0.018 0.000 1.024 263 N CA 0.910 53.948 53.050 -0.019 0.000 0.852 263 N CB -0.528 37.945 38.487 -0.024 0.000 1.003 263 N HN 0.127 nan 8.380 nan 0.000 0.424 264 L N 1.522 122.737 121.223 -0.013 0.000 1.955 264 L HA -0.130 4.223 4.340 0.022 0.000 0.213 264 L C 2.062 178.963 176.870 0.051 0.000 1.072 264 L CA 1.454 56.291 54.840 -0.005 0.000 0.755 264 L CB -0.847 41.204 42.059 -0.012 0.000 0.888 264 L HN 0.043 nan 8.230 nan 0.000 0.432 265 L N -0.446 120.825 121.223 0.079 0.000 2.021 265 L HA -0.292 4.061 4.340 0.022 0.000 0.215 265 L C 2.704 179.652 176.870 0.131 0.000 1.074 265 L CA 2.217 57.181 54.840 0.206 0.000 0.760 265 L CB -1.727 40.422 42.059 0.150 0.000 0.889 265 L HN 0.534 nan 8.230 nan 0.000 0.433 266 Q N -0.009 119.794 119.800 0.005 0.000 2.061 266 Q HA -0.155 4.198 4.340 0.022 0.000 0.204 266 Q C 2.353 178.357 176.000 0.007 0.000 0.984 266 Q CA 2.389 58.161 55.803 -0.050 0.000 0.846 266 Q CB -0.254 28.455 28.738 -0.048 0.000 0.902 266 Q HN 0.412 nan 8.270 nan 0.000 0.421 267 S N 0.085 115.805 115.700 0.033 0.000 2.383 267 S HA -0.110 4.372 4.470 0.022 0.000 0.229 267 S C 1.872 176.546 174.600 0.122 0.000 1.030 267 S CA 1.319 59.558 58.200 0.065 0.000 1.002 267 S CB -0.379 62.801 63.200 -0.032 0.000 0.829 267 S HN 0.421 nan 8.310 nan 0.000 0.467 268 I N 1.038 121.702 120.570 0.157 0.000 2.286 268 I HA -0.199 3.984 4.170 0.022 0.000 0.248 268 I C 2.510 178.799 176.117 0.286 0.000 1.115 268 I CA 1.155 62.593 61.300 0.230 0.000 1.392 268 I CB -0.253 37.934 38.000 0.311 0.000 1.065 268 I HN 0.197 nan 8.210 nan 0.000 0.418 269 K N 1.510 122.050 120.400 0.234 0.000 2.097 269 K HA -0.099 4.234 4.320 0.022 0.000 0.205 269 K C 1.490 178.102 176.600 0.019 0.000 1.050 269 K CA 1.493 57.807 56.287 0.046 0.000 0.938 269 K CB -0.219 32.117 32.500 -0.274 0.000 0.718 269 K HN 0.353 nan 8.250 nan 0.000 0.442 270 N N 0.337 119.059 118.700 0.036 0.000 2.521 270 N HA -0.062 4.691 4.740 0.022 0.000 0.188 270 N C -0.615 174.921 175.510 0.043 0.000 1.146 270 N CA 0.523 53.592 53.050 0.032 0.000 0.893 270 N CB 0.249 38.771 38.487 0.058 0.000 0.975 270 N HN 0.152 nan 8.380 nan 0.000 0.451 271 D N -0.532 119.910 120.400 0.070 0.000 3.076 271 D HA -0.221 4.432 4.640 0.022 0.000 0.218 271 D C 0.016 176.347 176.300 0.051 0.000 1.156 271 D CA 0.789 54.815 54.000 0.044 0.000 0.921 271 D CB -1.763 39.034 40.800 -0.006 0.000 1.113 271 D HN 0.457 nan 8.370 nan 0.000 0.418 272 H N 0.966 120.040 119.070 0.007 0.000 3.163 272 H HA -0.086 4.482 4.556 0.021 0.000 0.321 272 H C 1.656 177.000 175.328 0.027 0.000 1.006 272 H CA 1.897 57.953 56.048 0.013 0.000 1.344 272 H CB 0.773 30.550 29.762 0.025 0.000 1.272 272 H HN 0.483 nan 8.280 nan 0.000 0.594 273 E N 2.834 123.042 120.200 0.013 0.000 2.153 273 E HA -0.189 4.174 4.350 0.022 0.000 0.194 273 E C 0.745 177.579 176.600 0.389 0.000 0.988 273 E CA 1.540 58.016 56.400 0.126 0.000 0.811 273 E CB -0.116 29.567 29.700 -0.027 0.000 0.746 273 E HN 0.722 nan 8.360 nan 0.000 0.466 274 E N 0.566 121.116 120.200 0.583 0.000 2.438 274 E HA 0.037 4.400 4.350 0.022 0.000 0.192 274 E C -0.257 176.480 176.600 0.227 0.000 1.110 274 E CA -0.123 56.501 56.400 0.372 0.000 0.893 274 E CB 0.179 29.985 29.700 0.176 0.000 0.990 274 E HN 0.320 nan 8.360 nan 0.000 0.490 275 I N 1.814 122.511 120.570 0.211 0.000 2.337 275 I HA 0.247 4.430 4.170 0.022 0.000 0.285 275 I C 0.453 176.488 176.117 -0.137 0.000 1.041 275 I CA -0.576 60.745 61.300 0.036 0.000 1.199 275 I CB 0.278 38.328 38.000 0.083 0.000 1.370 275 I HN -0.094 nan 8.210 nan 0.000 0.470 276 A N 8.820 131.361 122.820 -0.466 0.000 2.287 276 A HA 0.572 4.904 4.320 0.022 0.000 0.273 276 A C -1.549 175.740 177.584 -0.491 0.000 1.091 276 A CA -1.097 50.355 52.037 -0.975 0.000 0.817 276 A CB 0.102 18.490 19.000 -1.020 0.000 1.069 276 A HN 0.452 nan 8.150 nan 0.000 0.492 277 P HA -0.161 nan 4.420 nan 0.000 0.215 277 P C 1.742 178.974 177.300 -0.113 0.000 1.153 277 P CA 2.236 65.116 63.100 -0.368 0.000 0.853 277 P CB 0.041 31.599 31.700 -0.237 0.000 0.788 278 S N -2.049 113.415 115.700 -0.394 0.000 2.419 278 S HA -0.128 4.355 4.470 0.022 0.000 0.233 278 S C 1.807 176.162 174.600 -0.409 0.000 1.016 278 S CA 1.767 59.636 58.200 -0.551 0.000 0.974 278 S CB -1.862 60.628 63.200 -1.183 0.000 0.786 278 S HN 0.105 nan 8.310 nan 0.000 0.492 279 T N 3.138 117.454 114.554 -0.396 0.000 2.777 279 T HA 0.049 4.412 4.350 0.022 0.000 0.266 279 T C 1.726 176.251 174.700 -0.291 0.000 1.040 279 T CA 1.301 63.190 62.100 -0.352 0.000 1.141 279 T CB -0.309 68.399 68.868 -0.268 0.000 0.868 279 T HN 0.294 nan 8.240 nan 0.000 0.444 280 I N 0.869 121.290 120.570 -0.248 0.000 2.090 280 I HA -0.074 4.109 4.170 0.022 0.000 0.236 280 I C 2.161 178.085 176.117 -0.320 0.000 1.064 280 I CA 1.341 62.464 61.300 -0.295 0.000 1.324 280 I CB -1.645 36.136 38.000 -0.365 0.000 1.044 280 I HN 0.176 nan 8.210 nan 0.000 0.399 281 F N 1.375 121.137 119.950 -0.312 0.000 2.085 281 F HA -0.309 4.231 4.527 0.022 0.000 0.299 281 F C 2.622 178.255 175.800 -0.279 0.000 1.096 281 F CA 1.997 59.841 58.000 -0.260 0.000 1.227 281 F CB -0.943 38.002 39.000 -0.091 0.000 0.983 281 F HN 0.092 nan 8.300 nan 0.000 0.482 282 A N 0.140 122.719 122.820 -0.403 0.000 1.834 282 A HA -0.137 4.196 4.320 0.022 0.000 0.216 282 A C 2.443 179.829 177.584 -0.330 0.000 1.203 282 A CA 2.191 53.754 52.037 -0.790 0.000 0.621 282 A CB -1.568 16.824 19.000 -1.013 0.000 0.841 282 A HN 0.339 nan 8.150 nan 0.000 0.446 283 A N -0.318 122.334 122.820 -0.279 0.000 1.940 283 A HA -0.031 4.302 4.320 0.022 0.000 0.221 283 A C 2.521 180.005 177.584 -0.166 0.000 1.190 283 A CA 2.942 54.865 52.037 -0.189 0.000 0.647 283 A CB -1.237 17.647 19.000 -0.194 0.000 0.821 283 A HN 1.343 nan 8.150 nan 0.000 0.457 284 A N -0.956 121.743 122.820 -0.202 0.000 1.972 284 A HA -0.059 4.274 4.320 0.022 0.000 0.219 284 A C 2.416 179.970 177.584 -0.049 0.000 1.169 284 A CA 2.107 54.041 52.037 -0.172 0.000 0.635 284 A CB -0.731 18.118 19.000 -0.253 0.000 0.810 284 A HN 0.495 nan 8.150 nan 0.000 0.446 285 S N -0.282 115.426 115.700 0.014 0.000 2.387 285 S HA -0.020 4.462 4.470 0.022 0.000 0.226 285 S C 1.771 176.422 174.600 0.086 0.000 1.026 285 S CA 1.256 59.531 58.200 0.125 0.000 0.972 285 S CB -0.402 62.966 63.200 0.280 0.000 0.814 285 S HN 0.584 nan 8.310 nan 0.000 0.477 286 I N 1.547 122.137 120.570 0.032 0.000 2.193 286 I HA -0.105 4.078 4.170 0.022 0.000 0.240 286 I C 1.688 177.809 176.117 0.007 0.000 1.084 286 I CA 1.075 62.389 61.300 0.022 0.000 1.365 286 I CB -0.553 37.446 38.000 -0.002 0.000 1.064 286 I HN 0.182 nan 8.210 nan 0.000 0.410 287 L N 0.755 121.966 121.223 -0.020 0.000 2.651 287 L HA -0.140 4.213 4.340 0.022 0.000 0.236 287 L C 1.681 178.552 176.870 0.002 0.000 1.173 287 L CA 0.806 55.634 54.840 -0.020 0.000 0.843 287 L CB -0.451 41.576 42.059 -0.053 0.000 0.964 287 L HN 0.344 nan 8.230 nan 0.000 0.454 288 E N -0.692 119.520 120.200 0.020 0.000 2.601 288 E HA 0.147 4.510 4.350 0.022 0.000 0.219 288 E C 1.502 178.131 176.600 0.049 0.000 0.964 288 E CA 0.710 57.135 56.400 0.040 0.000 1.050 288 E CB 1.101 30.839 29.700 0.063 0.000 1.068 288 E HN 0.341 nan 8.360 nan 0.000 0.496 289 G N 1.874 110.699 108.800 0.041 0.000 2.184 289 G HA2 -0.306 3.667 3.960 0.022 0.000 0.264 289 G HA3 -0.306 3.667 3.960 0.022 0.000 0.264 289 G C 0.607 175.543 174.900 0.060 0.000 0.975 289 G CA 0.590 45.711 45.100 0.034 0.000 0.642 289 G HN 0.280 nan 8.290 nan 0.000 0.536 290 V N -1.492 118.482 119.914 0.100 0.000 2.498 290 V HA 0.718 4.851 4.120 0.022 0.000 0.279 290 V C -1.603 174.596 176.094 0.175 0.000 1.048 290 V CA -2.565 59.816 62.300 0.135 0.000 0.967 290 V CB 1.303 33.224 31.823 0.163 0.000 0.988 290 V HN 0.047 nan 8.190 nan 0.000 0.473 291 P HA 0.168 nan 4.420 nan 0.000 0.266 291 P C -1.386 176.081 177.300 0.278 0.000 1.195 291 P CA 0.416 63.662 63.100 0.243 0.000 0.768 291 P CB 0.065 31.910 31.700 0.241 0.000 0.838 292 Y N 3.468 123.883 120.300 0.193 0.000 2.376 292 Y HA 0.608 5.170 4.550 0.020 0.000 0.340 292 Y C -0.879 175.186 175.900 0.275 0.000 0.965 292 Y CA -0.779 57.455 58.100 0.224 0.000 1.078 292 Y CB 1.017 39.628 38.460 0.252 0.000 1.193 292 Y HN 0.195 nan 8.280 nan 0.000 0.452 293 I N 5.654 126.150 120.570 -0.125 0.000 2.410 293 I HA 0.235 4.417 4.170 0.022 0.000 0.286 293 I C -0.896 175.155 176.117 -0.111 0.000 1.009 293 I CA -0.774 60.540 61.300 0.022 0.000 1.111 293 I CB 1.581 39.576 38.000 -0.009 0.000 1.262 293 I HN 0.592 nan 8.210 nan 0.000 0.443 294 N N 4.805 123.648 118.700 0.238 0.000 2.558 294 N HA 0.261 5.014 4.740 0.022 0.000 0.233 294 N C 0.669 176.297 175.510 0.198 0.000 1.038 294 N CA -0.244 52.938 53.050 0.220 0.000 0.934 294 N CB 1.068 39.735 38.487 0.301 0.000 1.175 294 N HN 0.738 nan 8.380 nan 0.000 0.512 295 G N 1.367 110.287 108.800 0.201 0.000 3.424 295 G HA2 0.168 4.141 3.960 0.022 0.000 0.263 295 G HA3 0.168 4.141 3.960 0.022 0.000 0.263 295 G C -0.361 174.656 174.900 0.195 0.000 1.310 295 G CA -0.210 44.988 45.100 0.164 0.000 1.089 295 G HN 0.461 nan 8.290 nan 0.000 0.534 296 S N -0.429 115.392 115.700 0.202 0.000 2.618 296 S HA 0.514 4.997 4.470 0.022 0.000 0.277 296 S C -1.804 172.817 174.600 0.035 0.000 1.138 296 S CA -0.862 57.432 58.200 0.156 0.000 0.844 296 S CB 2.904 66.287 63.200 0.305 0.000 1.127 296 S HN -0.023 nan 8.310 nan 0.000 0.474 297 P HA -0.156 nan 4.420 nan 0.000 0.215 297 P C 0.069 177.193 177.300 -0.293 0.000 1.157 297 P CA 1.086 64.168 63.100 -0.031 0.000 0.868 297 P CB -0.347 31.392 31.700 0.066 0.000 0.788 298 Q N 2.336 121.842 119.800 -0.490 0.000 2.394 298 Q HA -0.148 4.205 4.340 0.022 0.000 0.347 298 Q C -0.028 175.571 176.000 -0.668 0.000 1.144 298 Q CA 0.724 56.007 55.803 -0.868 0.000 1.050 298 Q CB -1.147 27.261 28.738 -0.550 0.000 1.188 298 Q HN 0.459 nan 8.270 nan 0.000 0.406 299 N N 1.488 119.770 118.700 -0.697 0.000 2.971 299 N HA 0.028 4.781 4.740 0.022 0.000 0.294 299 N C -0.102 175.276 175.510 -0.220 0.000 1.210 299 N CA -0.094 52.836 53.050 -0.200 0.000 1.157 299 N CB 0.381 38.922 38.487 0.089 0.000 1.450 299 N HN 0.479 nan 8.380 nan 0.000 0.527 300 T N 0.718 115.061 114.554 -0.352 0.000 2.668 300 T HA -0.121 4.242 4.350 0.022 0.000 0.262 300 T C 0.388 174.812 174.700 -0.460 0.000 1.045 300 T CA 0.951 62.728 62.100 -0.539 0.000 1.152 300 T CB -0.385 67.962 68.868 -0.869 0.000 0.864 300 T HN 0.432 nan 8.240 nan 0.000 0.419 301 F N 4.026 123.906 119.950 -0.117 0.000 2.659 301 F HA 0.235 4.775 4.527 0.021 0.000 0.356 301 F C 0.842 176.612 175.800 -0.050 0.000 1.273 301 F CA -1.037 56.912 58.000 -0.085 0.000 1.243 301 F CB -1.211 37.763 39.000 -0.043 0.000 1.683 301 F HN -0.031 nan 8.300 nan 0.000 0.679 302 V N 0.006 119.941 119.914 0.035 0.000 3.003 302 V HA 0.218 4.351 4.120 0.022 0.000 0.305 302 V C -1.453 174.673 176.094 0.054 0.000 1.078 302 V CA -1.865 60.459 62.300 0.040 0.000 1.083 302 V CB 0.722 32.542 31.823 -0.005 0.000 1.039 302 V HN 0.171 nan 8.190 nan 0.000 0.481 303 P HA -0.237 nan 4.420 nan 0.000 0.222 303 P C 1.657 178.980 177.300 0.038 0.000 1.159 303 P CA 2.688 65.817 63.100 0.049 0.000 0.920 303 P CB -0.207 31.517 31.700 0.039 0.000 0.793 304 G N -0.978 107.832 108.800 0.018 0.000 2.418 304 G HA2 -0.250 3.723 3.960 0.022 0.000 0.217 304 G HA3 -0.250 3.723 3.960 0.022 0.000 0.217 304 G C 1.424 176.329 174.900 0.008 0.000 1.158 304 G CA 0.532 45.636 45.100 0.008 0.000 0.771 304 G HN 0.229 nan 8.290 nan 0.000 0.545 305 L N 0.863 122.088 121.223 0.004 0.000 2.217 305 L HA 0.096 4.449 4.340 0.022 0.000 0.211 305 L C 2.790 179.700 176.870 0.067 0.000 1.107 305 L CA 0.975 55.817 54.840 0.003 0.000 0.783 305 L CB -0.097 41.932 42.059 -0.050 0.000 0.919 305 L HN 0.097 nan 8.230 nan 0.000 0.442 306 V N -1.064 118.900 119.914 0.083 0.000 2.548 306 V HA -0.217 3.916 4.120 0.022 0.000 0.249 306 V C 2.334 178.454 176.094 0.044 0.000 1.055 306 V CA 1.415 63.756 62.300 0.068 0.000 1.065 306 V CB -0.558 31.300 31.823 0.058 0.000 0.681 306 V HN 0.507 nan 8.190 nan 0.000 0.462 307 Q N -0.384 119.447 119.800 0.051 0.000 2.033 307 Q HA -0.032 4.321 4.340 0.022 0.000 0.196 307 Q C 2.322 178.370 176.000 0.079 0.000 0.970 307 Q CA 1.022 56.864 55.803 0.066 0.000 0.828 307 Q CB -0.318 28.458 28.738 0.064 0.000 0.895 307 Q HN 0.415 nan 8.270 nan 0.000 0.440 308 L N 0.872 122.119 121.223 0.040 0.000 2.357 308 L HA -0.197 4.156 4.340 0.022 0.000 0.220 308 L C 1.765 178.660 176.870 0.041 0.000 1.123 308 L CA 1.676 56.521 54.840 0.007 0.000 0.782 308 L CB -0.807 41.233 42.059 -0.031 0.000 0.910 308 L HN 0.188 nan 8.230 nan 0.000 0.442 309 A N -0.249 122.599 122.820 0.046 0.000 1.859 309 A HA -0.122 4.211 4.320 0.022 0.000 0.212 309 A C 1.981 179.578 177.584 0.022 0.000 1.238 309 A CA 0.771 52.824 52.037 0.026 0.000 0.613 309 A CB -0.407 18.603 19.000 0.017 0.000 0.904 309 A HN 0.456 nan 8.150 nan 0.000 0.457 310 E N -0.691 119.530 120.200 0.034 0.000 2.065 310 E HA -0.285 4.078 4.350 0.022 0.000 0.201 310 E C 2.011 178.641 176.600 0.049 0.000 1.016 310 E CA 1.533 57.955 56.400 0.037 0.000 0.818 310 E CB -0.444 29.294 29.700 0.065 0.000 0.749 310 E HN 0.709 nan 8.360 nan 0.000 0.453 311 H N 1.365 120.431 119.070 -0.007 0.000 2.610 311 H HA -0.138 4.431 4.556 0.021 0.000 0.298 311 H C 1.827 177.141 175.328 -0.024 0.000 1.035 311 H CA 1.706 57.750 56.048 -0.006 0.000 1.123 311 H CB -0.086 29.677 29.762 0.002 0.000 1.447 311 H HN 0.055 nan 8.280 nan 0.000 0.659 312 E N 0.626 121.007 120.200 0.302 0.000 2.444 312 E HA -0.113 4.250 4.350 0.022 0.000 0.204 312 E C 1.041 177.649 176.600 0.012 0.000 1.049 312 E CA 0.877 57.369 56.400 0.153 0.000 0.872 312 E CB -0.948 28.794 29.700 0.071 0.000 0.791 312 E HN 0.768 nan 8.360 nan 0.000 0.548 313 G N 1.672 110.450 108.800 -0.036 0.000 2.350 313 G HA2 -0.281 3.692 3.960 0.022 0.000 0.298 313 G HA3 -0.281 3.692 3.960 0.022 0.000 0.298 313 G C 0.136 174.862 174.900 -0.290 0.000 1.037 313 G CA 0.857 45.867 45.100 -0.150 0.000 1.074 313 G HN 0.244 nan 8.290 nan 0.000 0.511 314 T N -0.578 113.813 114.554 -0.272 0.000 2.927 314 T HA 0.768 5.131 4.350 0.022 0.000 0.286 314 T C -0.294 174.169 174.700 -0.394 0.000 1.040 314 T CA -0.568 61.340 62.100 -0.321 0.000 1.010 314 T CB 1.426 70.248 68.868 -0.077 0.000 1.177 314 T HN 0.185 nan 8.240 nan 0.000 0.546 315 F N 1.111 121.102 119.950 0.068 0.000 2.470 315 F HA 0.720 5.260 4.527 0.021 0.000 0.329 315 F C 0.449 176.282 175.800 0.056 0.000 1.072 315 F CA -1.454 56.578 58.000 0.055 0.000 0.989 315 F CB 0.950 40.000 39.000 0.083 0.000 1.193 315 F HN 0.448 nan 8.300 nan 0.000 0.481 316 I N -0.592 120.084 120.570 0.177 0.000 3.145 316 I HA 0.945 5.128 4.170 0.022 0.000 0.313 316 I C -0.342 175.686 176.117 -0.147 0.000 1.122 316 I CA -1.360 59.935 61.300 -0.009 0.000 0.987 316 I CB 1.566 39.349 38.000 -0.362 0.000 1.236 316 I HN 0.614 nan 8.210 nan 0.000 0.453 317 A N 1.386 124.101 122.820 -0.174 0.000 2.256 317 A HA 0.613 4.946 4.320 0.022 0.000 0.276 317 A C 0.968 178.464 177.584 -0.147 0.000 1.259 317 A CA 0.286 52.317 52.037 -0.010 0.000 0.813 317 A CB -0.535 18.705 19.000 0.401 0.000 1.200 317 A HN 1.166 nan 8.150 nan 0.000 0.506 318 G N -1.743 107.099 108.800 0.070 0.000 3.651 318 G HA2 0.457 4.429 3.960 0.022 0.000 0.267 318 G HA3 0.457 4.429 3.960 0.022 0.000 0.267 318 G C -0.798 174.187 174.900 0.141 0.000 1.009 318 G CA 0.593 45.735 45.100 0.070 0.000 0.866 318 G HN 0.834 nan 8.290 nan 0.000 0.488 319 D N 0.614 121.147 120.400 0.221 0.000 7.547 319 D HA -0.014 4.639 4.640 0.022 0.000 0.255 319 D C -0.316 176.063 176.300 0.131 0.000 2.090 319 D CA 1.385 55.497 54.000 0.187 0.000 1.914 319 D CB -0.282 40.620 40.800 0.169 0.000 0.809 319 D HN 0.286 nan 8.370 nan 0.000 0.513 320 D N 0.764 121.235 120.400 0.119 0.000 6.041 320 D HA -0.194 4.459 4.640 0.022 0.000 0.239 320 D C -0.560 175.800 176.300 0.100 0.000 1.667 320 D CA 0.182 54.242 54.000 0.101 0.000 1.478 320 D CB -0.011 40.839 40.800 0.084 0.000 0.683 320 D HN 0.539 nan 8.370 nan 0.000 0.375 321 L N 3.132 124.414 121.223 0.099 0.000 2.534 321 L HA -0.016 4.337 4.340 0.022 0.000 0.271 321 L C 1.252 178.165 176.870 0.072 0.000 1.178 321 L CA 0.301 55.201 54.840 0.099 0.000 0.907 321 L CB 0.266 42.377 42.059 0.087 0.000 1.164 321 L HN 0.319 nan 8.230 nan 0.000 0.482 322 K N 4.301 124.740 120.400 0.065 0.000 2.336 322 K HA 0.085 4.418 4.320 0.022 0.000 0.290 322 K C 0.188 176.782 176.600 -0.009 0.000 1.067 322 K CA -0.451 55.839 56.287 0.004 0.000 0.962 322 K CB 0.413 32.879 32.500 -0.057 0.000 1.008 322 K HN 0.677 nan 8.250 nan 0.000 0.467 323 S N 2.743 118.440 115.700 -0.005 0.000 2.568 323 S HA 0.058 4.541 4.470 0.022 0.000 0.282 323 S C 1.367 175.950 174.600 -0.028 0.000 1.338 323 S CA -0.412 57.786 58.200 -0.004 0.000 1.045 323 S CB 1.420 64.620 63.200 0.001 0.000 0.873 323 S HN 0.718 nan 8.310 nan 0.000 0.516 324 G N 0.873 109.663 108.800 -0.015 0.000 2.653 324 G HA2 -0.083 3.890 3.960 0.022 0.000 0.212 324 G HA3 -0.083 3.890 3.960 0.022 0.000 0.212 324 G C 1.207 176.094 174.900 -0.022 0.000 1.138 324 G CA 0.158 45.243 45.100 -0.025 0.000 0.782 324 G HN 0.719 nan 8.290 nan 0.000 0.535 325 Q N -0.004 119.786 119.800 -0.017 0.000 2.226 325 Q HA -0.008 4.345 4.340 0.022 0.000 0.199 325 Q C 2.448 178.445 176.000 -0.006 0.000 0.945 325 Q CA 1.310 57.109 55.803 -0.007 0.000 0.861 325 Q CB -0.950 27.783 28.738 -0.009 0.000 0.953 325 Q HN 0.367 nan 8.270 nan 0.000 0.490 326 T N 2.028 116.569 114.554 -0.021 0.000 2.867 326 T HA -0.050 4.313 4.350 0.022 0.000 0.268 326 T C 1.760 176.437 174.700 -0.038 0.000 1.057 326 T CA 1.150 63.234 62.100 -0.026 0.000 1.136 326 T CB 0.049 68.895 68.868 -0.036 0.000 0.874 326 T HN 0.224 nan 8.240 nan 0.000 0.466 327 K N 1.014 121.372 120.400 -0.069 0.000 1.965 327 K HA 0.060 4.393 4.320 0.022 0.000 0.214 327 K C 2.258 178.829 176.600 -0.047 0.000 1.046 327 K CA 0.994 57.216 56.287 -0.109 0.000 0.944 327 K CB -0.583 31.810 32.500 -0.177 0.000 0.726 327 K HN 0.143 nan 8.250 nan 0.000 0.441 328 L N 1.744 122.954 121.223 -0.023 0.000 2.021 328 L HA -0.294 4.059 4.340 0.022 0.000 0.215 328 L C 2.645 179.551 176.870 0.060 0.000 1.074 328 L CA 1.649 56.496 54.840 0.012 0.000 0.760 328 L CB -0.281 41.789 42.059 0.019 0.000 0.889 328 L HN 0.271 nan 8.230 nan 0.000 0.433 329 K N -0.998 119.455 120.400 0.089 0.000 2.147 329 K HA -0.215 4.118 4.320 0.022 0.000 0.205 329 K C 2.192 178.893 176.600 0.169 0.000 1.049 329 K CA 1.678 58.078 56.287 0.188 0.000 0.936 329 K CB -0.010 32.572 32.500 0.137 0.000 0.722 329 K HN 0.249 nan 8.250 nan 0.000 0.446 330 S N -0.132 115.614 115.700 0.076 0.000 2.387 330 S HA -0.061 4.422 4.470 0.022 0.000 0.226 330 S C 1.872 176.512 174.600 0.067 0.000 1.026 330 S CA 0.921 59.153 58.200 0.055 0.000 0.972 330 S CB -0.051 63.147 63.200 -0.003 0.000 0.814 330 S HN 0.182 nan 8.310 nan 0.000 0.477 331 V N 2.227 122.172 119.914 0.053 0.000 2.216 331 V HA -0.176 3.957 4.120 0.022 0.000 0.243 331 V C 2.430 178.594 176.094 0.116 0.000 1.044 331 V CA 2.102 64.437 62.300 0.059 0.000 0.995 331 V CB -0.876 30.961 31.823 0.023 0.000 0.633 331 V HN 0.439 nan 8.190 nan 0.000 0.446 332 L N 0.075 121.363 121.223 0.109 0.000 1.997 332 L HA -0.300 4.053 4.340 0.022 0.000 0.216 332 L C 2.702 179.641 176.870 0.116 0.000 1.074 332 L CA 2.129 57.044 54.840 0.124 0.000 0.763 332 L CB -0.821 41.192 42.059 -0.076 0.000 0.890 332 L HN 0.404 nan 8.230 nan 0.000 0.434 333 A N -0.982 121.942 122.820 0.174 0.000 1.917 333 A HA -0.341 3.991 4.320 0.022 0.000 0.219 333 A C 2.185 179.844 177.584 0.124 0.000 1.182 333 A CA 2.243 54.412 52.037 0.219 0.000 0.633 333 A CB -0.637 18.506 19.000 0.239 0.000 0.819 333 A HN 0.475 nan 8.150 nan 0.000 0.448 334 Q N -0.931 118.941 119.800 0.121 0.000 2.046 334 Q HA -0.122 4.231 4.340 0.022 0.000 0.200 334 Q C 1.780 177.865 176.000 0.142 0.000 0.975 334 Q CA 1.970 57.836 55.803 0.105 0.000 0.836 334 Q CB -0.575 28.218 28.738 0.091 0.000 0.896 334 Q HN 0.703 nan 8.270 nan 0.000 0.428 335 F N 0.052 120.005 119.950 0.004 0.000 2.063 335 F HA -0.324 4.216 4.527 0.021 0.000 0.298 335 F C 1.449 177.247 175.800 -0.002 0.000 1.109 335 F CA 1.434 59.428 58.000 -0.010 0.000 1.212 335 F CB -0.109 38.870 39.000 -0.036 0.000 0.973 335 F HN 0.127 nan 8.300 nan 0.000 0.480 336 L N 0.278 121.274 121.223 -0.378 0.000 1.970 336 L HA -0.256 4.097 4.340 0.022 0.000 0.212 336 L C 2.387 179.144 176.870 -0.188 0.000 1.071 336 L CA 1.454 56.017 54.840 -0.460 0.000 0.751 336 L CB -1.069 40.833 42.059 -0.261 0.000 0.889 336 L HN 0.096 nan 8.230 nan 0.000 0.432 337 V N -0.546 119.347 119.914 -0.035 0.000 2.490 337 V HA -0.263 3.870 4.120 0.022 0.000 0.250 337 V C 2.047 178.156 176.094 0.025 0.000 1.061 337 V CA 1.689 64.014 62.300 0.042 0.000 1.064 337 V CB -0.718 31.164 31.823 0.099 0.000 0.670 337 V HN 0.412 nan 8.190 nan 0.000 0.461 338 D N 1.032 121.448 120.400 0.027 0.000 2.097 338 D HA -0.104 4.549 4.640 0.022 0.000 0.195 338 D C 2.266 178.584 176.300 0.029 0.000 0.989 338 D CA 1.768 55.798 54.000 0.050 0.000 0.827 338 D CB -0.383 40.481 40.800 0.107 0.000 0.966 338 D HN 0.452 nan 8.370 nan 0.000 0.456 339 A N -0.309 122.504 122.820 -0.011 0.000 2.070 339 A HA 0.197 4.530 4.320 0.022 0.000 0.220 339 A C 1.833 179.391 177.584 -0.044 0.000 1.159 339 A CA 1.917 53.935 52.037 -0.031 0.000 0.656 339 A CB -0.325 18.597 19.000 -0.131 0.000 0.800 339 A HN 0.362 nan 8.150 nan 0.000 0.453 340 G N -1.849 106.922 108.800 -0.049 0.000 2.138 340 G HA2 -0.149 3.824 3.960 0.022 0.000 0.193 340 G HA3 -0.149 3.824 3.960 0.022 0.000 0.193 340 G C -0.017 174.838 174.900 -0.074 0.000 0.998 340 G CA -0.018 45.055 45.100 -0.045 0.000 0.668 340 G HN 0.422 nan 8.290 nan 0.000 0.516 341 I N 1.056 121.567 120.570 -0.097 0.000 2.315 341 I HA 0.281 4.464 4.170 0.022 0.000 0.291 341 I C 0.784 176.859 176.117 -0.070 0.000 1.006 341 I CA -0.551 60.679 61.300 -0.116 0.000 1.265 341 I CB 1.553 39.449 38.000 -0.172 0.000 1.387 341 I HN 0.049 nan 8.210 nan 0.000 0.475 342 K N 9.417 129.758 120.400 -0.099 0.000 2.142 342 K HA 0.272 4.605 4.320 0.022 0.000 0.250 342 K C -2.251 174.370 176.600 0.034 0.000 1.148 342 K CA -1.608 54.622 56.287 -0.095 0.000 1.040 342 K CB 0.320 32.637 32.500 -0.306 0.000 1.569 342 K HN 0.256 nan 8.250 nan 0.000 0.361 343 P HA -0.097 nan 4.420 nan 0.000 0.267 343 P C 0.459 177.897 177.300 0.230 0.000 1.200 343 P CA 0.002 63.206 63.100 0.174 0.000 0.772 343 P CB 1.208 33.040 31.700 0.219 0.000 0.855 344 V N -1.365 118.675 119.914 0.210 0.000 3.548 344 V HA 0.340 4.473 4.120 0.022 0.000 0.279 344 V C 0.421 176.621 176.094 0.175 0.000 1.446 344 V CA 0.360 62.789 62.300 0.215 0.000 1.023 344 V CB 0.184 32.146 31.823 0.231 0.000 0.820 344 V HN 0.671 nan 8.190 nan 0.000 0.438 345 S N 0.200 116.009 115.700 0.181 0.000 2.548 345 S HA 0.770 5.253 4.470 0.022 0.000 0.278 345 S C -1.491 173.151 174.600 0.070 0.000 1.150 345 S CA -0.522 57.740 58.200 0.104 0.000 0.907 345 S CB 1.651 64.918 63.200 0.111 0.000 1.108 345 S HN 0.392 nan 8.310 nan 0.000 0.459 346 I N 3.374 123.930 120.570 -0.023 0.000 2.529 346 I HA 0.600 4.783 4.170 0.022 0.000 0.284 346 I C -0.117 175.908 176.117 -0.153 0.000 1.088 346 I CA -0.761 60.422 61.300 -0.194 0.000 1.062 346 I CB 1.572 39.386 38.000 -0.310 0.000 1.218 346 I HN 0.742 nan 8.210 nan 0.000 0.442 347 A N 4.156 126.898 122.820 -0.130 0.000 2.325 347 A HA 0.922 5.255 4.320 0.022 0.000 0.333 347 A C -0.414 177.046 177.584 -0.206 0.000 1.155 347 A CA -0.492 51.466 52.037 -0.132 0.000 0.814 347 A CB 1.387 20.429 19.000 0.069 0.000 1.206 347 A HN 0.593 nan 8.150 nan 0.000 0.482 348 S N 0.106 115.542 115.700 -0.440 0.000 2.557 348 S HA 0.655 5.138 4.470 0.022 0.000 0.291 348 S C -1.695 172.539 174.600 -0.610 0.000 1.116 348 S CA -0.215 57.792 58.200 -0.321 0.000 0.992 348 S CB 0.828 63.913 63.200 -0.192 0.000 1.028 348 S HN 0.493 nan 8.310 nan 0.000 0.484 349 Y N 1.657 121.983 120.300 0.043 0.000 2.327 349 Y HA 0.426 4.985 4.550 0.014 0.000 0.325 349 Y C -0.020 175.935 175.900 0.091 0.000 0.999 349 Y CA -0.795 57.351 58.100 0.076 0.000 1.195 349 Y CB 1.326 39.842 38.460 0.093 0.000 1.132 349 Y HN 0.598 nan 8.280 nan 0.000 0.455 350 N N 3.156 121.960 118.700 0.173 0.000 2.410 350 N HA 0.296 5.049 4.740 0.022 0.000 0.287 350 N C -1.618 173.990 175.510 0.163 0.000 1.044 350 N CA -0.855 52.258 53.050 0.106 0.000 0.881 350 N CB 1.846 40.353 38.487 0.034 0.000 1.405 350 N HN 0.773 nan 8.380 nan 0.000 0.490 351 H N 0.535 119.645 119.070 0.066 0.000 2.658 351 H HA 0.612 5.181 4.556 0.022 0.000 0.337 351 H C -0.678 174.687 175.328 0.061 0.000 1.009 351 H CA -0.921 55.170 56.048 0.071 0.000 1.231 351 H CB 1.226 31.029 29.762 0.069 0.000 1.508 351 H HN 0.427 nan 8.280 nan 0.000 0.517 377 I N 0.969 121.507 120.570 -0.053 0.000 2.556 377 I HA 0.140 4.323 4.170 0.022 0.000 0.251 377 I C 1.873 177.944 176.117 -0.077 0.000 1.105 377 I CA 2.145 63.420 61.300 -0.042 0.000 1.436 377 I CB -0.247 37.764 38.000 0.019 0.000 1.139 377 I HN 0.348 nan 8.210 nan 0.000 0.438 378 D N 1.021 121.384 120.400 -0.061 0.000 2.158 378 D HA -0.234 4.419 4.640 0.022 0.000 0.197 378 D C 1.624 177.871 176.300 -0.089 0.000 0.995 378 D CA 1.582 55.539 54.000 -0.071 0.000 0.846 378 D CB -0.426 40.339 40.800 -0.058 0.000 0.941 378 D HN 0.487 nan 8.370 nan 0.000 0.456 379 D N 0.494 120.845 120.400 -0.081 0.000 2.194 379 D HA -0.103 4.550 4.640 0.022 0.000 0.204 379 D C 2.010 178.281 176.300 -0.048 0.000 0.964 379 D CA 0.340 54.305 54.000 -0.058 0.000 0.846 379 D CB -0.637 40.135 40.800 -0.047 0.000 0.962 379 D HN 0.276 nan 8.370 nan 0.000 0.490 380 I N 0.538 121.066 120.570 -0.070 0.000 2.226 380 I HA -0.219 3.964 4.170 0.022 0.000 0.245 380 I C 1.936 177.968 176.117 -0.142 0.000 1.100 380 I CA 0.703 61.959 61.300 -0.073 0.000 1.374 380 I CB -0.087 37.867 38.000 -0.075 0.000 1.057 380 I HN -0.038 nan 8.210 nan 0.000 0.413 381 I N 0.978 121.383 120.570 -0.274 0.000 2.423 381 I HA -0.232 3.951 4.170 0.022 0.000 0.254 381 I C 2.688 178.738 176.117 -0.112 0.000 1.151 381 I CA 1.411 62.451 61.300 -0.434 0.000 1.421 381 I CB -1.845 35.912 38.000 -0.405 0.000 1.079 381 I HN 0.174 nan 8.210 nan 0.000 0.431 382 A N 0.956 123.747 122.820 -0.049 0.000 1.975 382 A HA -0.095 4.238 4.320 0.022 0.000 0.215 382 A C 2.451 180.070 177.584 0.059 0.000 1.170 382 A CA 1.355 53.407 52.037 0.025 0.000 0.656 382 A CB -0.595 18.423 19.000 0.031 0.000 0.821 382 A HN 0.520 nan 8.150 nan 0.000 0.449 383 S N -0.347 115.380 115.700 0.044 0.000 2.447 383 S HA -0.026 4.457 4.470 0.022 0.000 0.233 383 S C 0.672 175.321 174.600 0.082 0.000 1.006 383 S CA 0.631 58.865 58.200 0.058 0.000 0.957 383 S CB -0.247 62.978 63.200 0.042 0.000 0.773 383 S HN 0.423 nan 8.310 nan 0.000 0.507 384 N N 1.696 120.470 118.700 0.123 0.000 2.442 384 N HA 0.272 5.025 4.740 0.022 0.000 0.274 384 N C -1.271 174.355 175.510 0.195 0.000 1.002 384 N CA -0.098 53.051 53.050 0.166 0.000 0.910 384 N CB 2.128 40.759 38.487 0.240 0.000 1.244 384 N HN 0.406 nan 8.380 nan 0.000 0.492 385 D N 2.337 122.822 120.400 0.140 0.000 2.398 385 D HA 0.163 4.816 4.640 0.022 0.000 0.210 385 D C 1.358 177.709 176.300 0.085 0.000 1.094 385 D CA 0.040 54.116 54.000 0.127 0.000 0.839 385 D CB 0.462 41.333 40.800 0.118 0.000 0.963 385 D HN 0.414 nan 8.370 nan 0.000 0.506 386 I N -0.188 120.422 120.570 0.066 0.000 2.260 386 I HA -0.112 4.071 4.170 0.022 0.000 0.237 386 I C 1.725 177.819 176.117 -0.039 0.000 1.075 386 I CA 0.375 61.686 61.300 0.018 0.000 1.376 386 I CB -0.142 37.866 38.000 0.013 0.000 1.107 386 I HN 0.006 nan 8.210 nan 0.000 0.420 387 L N 0.032 121.207 121.223 -0.081 0.000 2.017 387 L HA -0.130 4.223 4.340 0.022 0.000 0.208 387 L C 0.414 177.001 176.870 -0.472 0.000 1.073 387 L CA 1.660 56.312 54.840 -0.313 0.000 0.745 387 L CB -0.796 41.020 42.059 -0.405 0.000 0.894 387 L HN 0.170 nan 8.230 nan 0.000 0.432 388 Y N 0.176 120.486 120.300 0.016 0.000 2.593 388 Y HA 0.356 4.919 4.550 0.022 0.000 0.331 388 Y C 0.320 176.234 175.900 0.023 0.000 0.986 388 Y CA -1.111 57.000 58.100 0.019 0.000 1.262 388 Y CB -0.092 38.381 38.460 0.023 0.000 1.098 388 Y HN 0.245 nan 8.280 nan 0.000 0.506 389 N N -1.236 117.522 118.700 0.096 0.000 3.343 389 N HA 0.323 5.076 4.740 0.022 0.000 0.330 389 N C -0.079 175.465 175.510 0.057 0.000 1.560 389 N CA -0.769 52.325 53.050 0.074 0.000 0.752 389 N CB 0.793 39.306 38.487 0.044 0.000 1.863 389 N HN 0.086 nan 8.380 nan 0.000 0.636 390 D N -0.427 119.998 120.400 0.042 0.000 2.149 390 D HA -0.098 4.555 4.640 0.022 0.000 0.206 390 D C 1.226 177.539 176.300 0.021 0.000 0.967 390 D CA 0.951 54.971 54.000 0.033 0.000 0.848 390 D CB -0.036 40.781 40.800 0.028 0.000 0.998 390 D HN 0.626 nan 8.370 nan 0.000 0.474 391 K N 0.734 121.143 120.400 0.015 0.000 2.160 391 K HA -0.141 4.192 4.320 0.022 0.000 0.206 391 K C 1.882 178.483 176.600 0.001 0.000 1.047 391 K CA 1.007 57.298 56.287 0.007 0.000 0.930 391 K CB 0.069 32.571 32.500 0.003 0.000 0.720 391 K HN 0.142 nan 8.250 nan 0.000 0.450 392 L N -1.690 119.531 121.223 -0.004 0.000 2.577 392 L HA 0.302 4.655 4.340 0.022 0.000 0.225 392 L C 0.541 177.408 176.870 -0.005 0.000 1.053 392 L CA 0.096 54.925 54.840 -0.019 0.000 0.866 392 L CB 0.891 42.918 42.059 -0.054 0.000 1.132 392 L HN 0.308 nan 8.230 nan 0.000 0.486 393 G N 1.723 110.532 108.800 0.016 0.000 3.014 393 G HA2 -0.080 3.893 3.960 0.022 0.000 0.683 393 G HA3 -0.080 3.893 3.960 0.022 0.000 0.683 393 G C -0.389 174.570 174.900 0.099 0.000 1.271 393 G CA -0.468 44.660 45.100 0.046 0.000 0.843 393 G HN 0.260 nan 8.290 nan 0.000 0.612 394 K N 0.796 121.280 120.400 0.141 0.000 2.861 394 K HA 0.481 4.814 4.320 0.022 0.000 0.210 394 K C 0.116 176.834 176.600 0.197 0.000 1.112 394 K CA -0.736 55.700 56.287 0.249 0.000 1.076 394 K CB 1.129 33.731 32.500 0.170 0.000 0.853 394 K HN 0.252 nan 8.250 nan 0.000 0.463 395 K N 1.508 122.016 120.400 0.180 0.000 2.316 395 K HA 0.375 4.708 4.320 0.022 0.000 0.251 395 K C -1.431 175.222 176.600 0.089 0.000 0.934 395 K CA -0.817 55.517 56.287 0.078 0.000 0.802 395 K CB 2.269 34.787 32.500 0.030 0.000 1.171 395 K HN 0.048 nan 8.250 nan 0.000 0.426 396 V N 3.409 123.308 119.914 -0.024 0.000 2.444 396 V HA 0.176 4.309 4.120 0.022 0.000 0.294 396 V C -0.699 175.236 176.094 -0.265 0.000 1.022 396 V CA -0.979 61.298 62.300 -0.038 0.000 0.850 396 V CB 1.785 33.596 31.823 -0.021 0.000 0.992 396 V HN 0.738 nan 8.190 nan 0.000 0.426 397 D N 3.607 123.894 120.400 -0.190 0.000 2.372 397 D HA 0.573 5.226 4.640 0.022 0.000 0.243 397 D C -0.435 175.711 176.300 -0.257 0.000 1.121 397 D CA 0.663 54.490 54.000 -0.288 0.000 0.898 397 D CB 0.502 41.237 40.800 -0.107 0.000 1.202 397 D HN 0.876 nan 8.370 nan 0.000 0.428 398 H N -1.493 117.553 119.070 -0.040 0.000 3.037 398 H HA 0.641 5.207 4.556 0.017 0.000 0.336 398 H C -1.189 174.085 175.328 -0.090 0.000 1.323 398 H CA -1.627 54.373 56.048 -0.078 0.000 1.159 398 H CB 0.292 30.004 29.762 -0.083 0.000 1.882 398 H HN 0.580 nan 8.280 nan 0.000 0.535 399 C N 0.654 119.987 119.300 0.055 0.000 3.254 399 C HA 0.735 5.208 4.460 0.022 0.000 0.405 399 C C -1.412 173.464 174.990 -0.190 0.000 1.027 399 C CA -0.850 58.138 59.018 -0.051 0.000 1.192 399 C CB -0.386 27.319 27.740 -0.059 0.000 1.567 399 C HN 0.941 nan 8.230 nan 0.000 0.582 400 I N 2.454 122.923 120.570 -0.168 0.000 2.530 400 I HA 0.751 4.934 4.170 0.022 0.000 0.297 400 I C -0.601 175.421 176.117 -0.158 0.000 1.011 400 I CA -0.840 60.348 61.300 -0.187 0.000 1.107 400 I CB 2.093 40.021 38.000 -0.120 0.000 1.285 400 I HN 0.586 nan 8.210 nan 0.000 0.436 401 V N 6.707 126.521 119.914 -0.167 0.000 2.488 401 V HA 0.361 4.494 4.120 0.022 0.000 0.293 401 V C -0.540 175.574 176.094 0.034 0.000 1.027 401 V CA -0.483 61.785 62.300 -0.054 0.000 0.862 401 V CB 2.325 34.132 31.823 -0.027 0.000 1.008 401 V HN 0.486 nan 8.190 nan 0.000 0.428 402 I N 6.208 126.810 120.570 0.054 0.000 2.354 402 I HA 0.568 4.751 4.170 0.022 0.000 0.286 402 I C -0.590 175.601 176.117 0.123 0.000 1.007 402 I CA -0.391 60.964 61.300 0.092 0.000 1.167 402 I CB 1.328 39.369 38.000 0.067 0.000 1.320 402 I HN 0.493 nan 8.210 nan 0.000 0.458 403 K N 7.142 127.646 120.400 0.172 0.000 2.166 403 K HA 0.279 4.612 4.320 0.022 0.000 0.245 403 K C -1.057 175.687 176.600 0.240 0.000 0.967 403 K CA -0.596 55.791 56.287 0.168 0.000 0.863 403 K CB 1.930 34.492 32.500 0.104 0.000 1.107 403 K HN 0.573 nan 8.250 nan 0.000 0.436 404 Y N 2.494 122.835 120.300 0.068 0.000 2.341 404 Y HA 0.296 4.854 4.550 0.013 0.000 0.340 404 Y C -0.688 175.252 175.900 0.065 0.000 0.997 404 Y CA -0.648 57.492 58.100 0.066 0.000 1.149 404 Y CB 0.830 39.317 38.460 0.044 0.000 1.171 404 Y HN 0.272 nan 8.280 nan 0.000 0.494 405 M N 7.840 127.295 119.600 -0.242 0.000 2.060 405 M HA 0.149 4.642 4.480 0.022 0.000 0.275 405 M C 0.344 176.456 176.300 -0.313 0.000 0.919 405 M CA -0.490 54.619 55.300 -0.317 0.000 0.970 405 M CB 1.866 34.485 32.600 0.033 0.000 1.670 405 M HN 0.793 nan 8.290 nan 0.000 0.440 406 K N 2.906 122.978 120.400 -0.547 0.000 2.057 406 K HA -0.014 4.319 4.320 0.022 0.000 0.207 406 K C -1.115 175.456 176.600 -0.047 0.000 1.049 406 K CA 1.182 57.368 56.287 -0.167 0.000 0.931 406 K CB -0.340 32.094 32.500 -0.110 0.000 0.714 406 K HN 0.327 nan 8.250 nan 0.000 0.440 407 P HA -0.031 nan 4.420 nan 0.000 0.246 407 P C -0.242 177.060 177.300 0.003 0.000 1.675 407 P CA 0.300 63.386 63.100 -0.024 0.000 0.908 407 P CB 0.163 31.843 31.700 -0.033 0.000 1.890 408 V N -5.008 114.915 119.914 0.015 0.000 3.408 408 V HA 0.453 4.586 4.120 0.022 0.000 0.263 408 V C 1.054 177.159 176.094 0.017 0.000 1.503 408 V CA 0.361 62.674 62.300 0.022 0.000 1.046 408 V CB -0.818 31.021 31.823 0.027 0.000 0.851 408 V HN 0.254 nan 8.190 nan 0.000 0.435 409 G N 2.020 110.832 108.800 0.020 0.000 2.385 409 G HA2 -0.208 3.765 3.960 0.022 0.000 0.294 409 G HA3 -0.208 3.765 3.960 0.022 0.000 0.294 409 G C 0.291 175.199 174.900 0.014 0.000 1.070 409 G CA 1.127 46.237 45.100 0.016 0.000 1.172 409 G HN 1.202 nan 8.290 nan 0.000 0.516 410 D N -1.548 118.864 120.400 0.021 0.000 2.527 410 D HA -0.240 4.413 4.640 0.022 0.000 0.160 410 D C 1.120 177.425 176.300 0.007 0.000 1.646 410 D CA 2.351 56.360 54.000 0.015 0.000 1.652 410 D CB -1.453 39.350 40.800 0.005 0.000 1.337 410 D HN 1.253 nan 8.370 nan 0.000 0.432 411 S N 1.524 117.226 115.700 0.003 0.000 2.670 411 S HA 0.021 4.504 4.470 0.022 0.000 0.308 411 S C 0.202 174.782 174.600 -0.035 0.000 1.232 411 S CA 0.128 58.322 58.200 -0.010 0.000 1.126 411 S CB 0.864 64.061 63.200 -0.005 0.000 0.897 411 S HN 0.177 nan 8.310 nan 0.000 0.508 412 K N 3.382 123.755 120.400 -0.045 0.000 2.201 412 K HA 0.394 4.727 4.320 0.022 0.000 0.278 412 K C -0.875 175.642 176.600 -0.138 0.000 1.027 412 K CA -0.369 55.872 56.287 -0.078 0.000 0.909 412 K CB 1.135 33.608 32.500 -0.046 0.000 1.062 412 K HN 0.361 nan 8.250 nan 0.000 0.465 413 V N 2.555 122.324 119.914 -0.242 0.000 2.495 413 V HA 0.667 4.800 4.120 0.022 0.000 0.298 413 V C -0.418 175.510 176.094 -0.278 0.000 1.031 413 V CA -0.956 61.151 62.300 -0.322 0.000 0.871 413 V CB 1.489 33.057 31.823 -0.425 0.000 0.988 413 V HN 0.865 nan 8.190 nan 0.000 0.432 414 A N 5.838 128.525 122.820 -0.223 0.000 2.449 414 A HA 1.006 5.339 4.320 0.022 0.000 0.302 414 A C -1.001 176.547 177.584 -0.061 0.000 1.048 414 A CA -0.668 51.318 52.037 -0.086 0.000 0.708 414 A CB 1.832 20.803 19.000 -0.048 0.000 1.274 414 A HN 0.795 nan 8.150 nan 0.000 0.410 415 M N 1.935 121.589 119.600 0.089 0.000 2.267 415 M HA 0.434 4.927 4.480 0.022 0.000 0.289 415 M C -1.833 174.605 176.300 0.229 0.000 1.043 415 M CA -0.424 54.981 55.300 0.175 0.000 0.928 415 M CB 2.532 35.283 32.600 0.252 0.000 1.613 415 M HN 0.526 nan 8.290 nan 0.000 0.450 416 D N 2.010 122.542 120.400 0.220 0.000 2.505 416 D HA 0.449 5.102 4.640 0.022 0.000 0.249 416 D C -1.190 175.267 176.300 0.263 0.000 1.082 416 D CA -0.341 53.772 54.000 0.189 0.000 0.839 416 D CB 2.215 43.137 40.800 0.203 0.000 1.317 416 D HN 0.476 nan 8.370 nan 0.000 0.497 417 E N 1.245 121.544 120.200 0.164 0.000 2.176 417 E HA 0.369 4.732 4.350 0.022 0.000 0.267 417 E C -1.531 175.156 176.600 0.145 0.000 0.893 417 E CA -0.583 55.956 56.400 0.232 0.000 0.761 417 E CB 0.727 30.551 29.700 0.207 0.000 1.133 417 E HN 0.220 nan 8.360 nan 0.000 0.409 418 Y N 2.926 123.317 120.300 0.153 0.000 2.364 418 Y HA 0.393 4.958 4.550 0.027 0.000 0.340 418 Y C -1.102 174.916 175.900 0.197 0.000 0.975 418 Y CA -0.879 57.310 58.100 0.148 0.000 1.089 418 Y CB 1.377 39.897 38.460 0.100 0.000 1.192 418 Y HN 0.494 nan 8.280 nan 0.000 0.454 419 Y N 2.288 122.707 120.300 0.198 0.000 2.326 419 Y HA 0.649 5.213 4.550 0.023 0.000 0.331 419 Y C -0.638 175.359 175.900 0.161 0.000 0.962 419 Y CA -0.431 57.761 58.100 0.154 0.000 1.167 419 Y CB 1.034 39.556 38.460 0.104 0.000 1.148 419 Y HN 0.647 nan 8.280 nan 0.000 0.463 420 S N 3.830 119.406 115.700 -0.206 0.000 2.648 420 S HA 0.462 4.945 4.470 0.022 0.000 0.305 420 S C -1.216 173.221 174.600 -0.272 0.000 1.094 420 S CA -1.150 56.966 58.200 -0.141 0.000 0.983 420 S CB 1.792 64.941 63.200 -0.085 0.000 1.101 420 S HN 0.644 nan 8.310 nan 0.000 0.514 421 E N 1.265 121.339 120.200 -0.210 0.000 2.092 421 E HA 0.405 4.768 4.350 0.022 0.000 0.271 421 E C -0.594 175.832 176.600 -0.290 0.000 0.919 421 E CA -0.249 55.942 56.400 -0.348 0.000 0.760 421 E CB 0.825 30.375 29.700 -0.251 0.000 1.106 421 E HN 0.384 nan 8.360 nan 0.000 0.408 422 L N 2.402 123.436 121.223 -0.316 0.000 2.744 422 L HA 0.434 4.786 4.340 0.022 0.000 0.218 422 L C 0.883 177.637 176.870 -0.194 0.000 1.190 422 L CA -0.929 53.786 54.840 -0.208 0.000 0.869 422 L CB 0.111 42.071 42.059 -0.165 0.000 1.652 422 L HN 0.477 nan 8.230 nan 0.000 0.519 423 M N -0.293 119.226 119.600 -0.135 0.000 2.202 423 M HA 0.316 4.808 4.480 0.022 0.000 0.316 423 M C 0.045 176.285 176.300 -0.100 0.000 1.138 423 M CA -0.379 54.856 55.300 -0.109 0.000 1.151 423 M CB 0.453 33.008 32.600 -0.076 0.000 1.422 423 M HN 0.393 nan 8.290 nan 0.000 0.471 424 L N 1.423 122.599 121.223 -0.079 0.000 3.833 424 L HA -0.287 4.066 4.340 0.022 0.000 0.447 424 L C 0.900 177.737 176.870 -0.056 0.000 1.213 424 L CA 0.839 55.645 54.840 -0.056 0.000 0.801 424 L CB -2.601 39.434 42.059 -0.039 0.000 1.676 424 L HN 1.308 nan 8.230 nan 0.000 0.883 425 G N -2.153 106.595 108.800 -0.087 0.000 2.175 425 G HA2 -0.163 3.809 3.960 0.022 0.000 0.244 425 G HA3 -0.163 3.809 3.960 0.022 0.000 0.244 425 G C 0.594 175.426 174.900 -0.113 0.000 0.982 425 G CA -0.003 45.058 45.100 -0.065 0.000 0.641 425 G HN 1.080 nan 8.290 nan 0.000 0.527 426 G N -0.774 107.917 108.800 -0.182 0.000 2.634 426 G HA2 0.534 4.507 3.960 0.022 0.000 0.255 426 G HA3 0.534 4.507 3.960 0.022 0.000 0.255 426 G C -0.453 174.168 174.900 -0.465 0.000 1.205 426 G CA -0.026 44.967 45.100 -0.179 0.000 0.884 426 G HN 0.520 nan 8.290 nan 0.000 0.549 427 H N -0.729 118.269 119.070 -0.121 0.000 3.038 427 H HA 0.266 4.835 4.556 0.022 0.000 0.362 427 H C -0.989 174.201 175.328 -0.230 0.000 1.167 427 H CA -0.608 55.279 56.048 -0.267 0.000 1.197 427 H CB 2.086 31.668 29.762 -0.301 0.000 1.840 427 H HN 0.632 nan 8.280 nan 0.000 0.540 428 N N 1.444 120.028 118.700 -0.193 0.000 2.284 428 N HA 0.321 5.074 4.740 0.022 0.000 0.300 428 N C -0.931 174.533 175.510 -0.076 0.000 1.047 428 N CA -0.508 52.481 53.050 -0.102 0.000 0.821 428 N CB 2.239 40.666 38.487 -0.099 0.000 1.337 428 N HN 0.458 nan 8.380 nan 0.000 0.482 429 R N 5.270 125.795 120.500 0.041 0.000 2.468 429 R HA 0.378 4.731 4.340 0.022 0.000 0.302 429 R C -1.333 175.046 176.300 0.131 0.000 1.041 429 R CA -0.453 55.735 56.100 0.147 0.000 0.899 429 R CB 0.566 31.002 30.300 0.226 0.000 1.167 429 R HN 0.550 nan 8.270 nan 0.000 0.483 430 I N 4.199 124.860 120.570 0.152 0.000 2.330 430 I HA 0.217 4.400 4.170 0.022 0.000 0.286 430 I C -0.153 176.092 176.117 0.213 0.000 1.025 430 I CA -0.680 60.693 61.300 0.122 0.000 1.197 430 I CB 1.761 39.763 38.000 0.004 0.000 1.358 430 I HN 0.545 nan 8.210 nan 0.000 0.467 431 S N 7.189 122.997 115.700 0.179 0.000 2.429 431 S HA 0.703 5.186 4.470 0.022 0.000 0.302 431 S C -0.507 174.208 174.600 0.191 0.000 1.115 431 S CA -0.716 57.609 58.200 0.209 0.000 1.095 431 S CB 1.304 64.601 63.200 0.161 0.000 0.987 431 S HN 0.443 nan 8.310 nan 0.000 0.474 432 I N 3.755 124.465 120.570 0.233 0.000 2.404 432 I HA 0.316 4.499 4.170 0.022 0.000 0.293 432 I C 0.025 176.273 176.117 0.218 0.000 0.992 432 I CA -0.560 60.860 61.300 0.199 0.000 1.149 432 I CB 1.396 39.505 38.000 0.181 0.000 1.315 432 I HN 0.727 nan 8.210 nan 0.000 0.446 433 H N 6.874 125.996 119.070 0.086 0.000 2.718 433 H HA 0.330 4.898 4.556 0.021 0.000 0.295 433 H C -1.350 174.009 175.328 0.052 0.000 1.051 433 H CA -0.444 55.647 56.048 0.071 0.000 1.260 433 H CB 1.125 30.922 29.762 0.058 0.000 1.403 433 H HN 0.552 nan 8.280 nan 0.000 0.488 434 N N 3.962 122.559 118.700 -0.172 0.000 2.443 434 N HA 0.333 5.086 4.740 0.022 0.000 0.295 434 N C -1.351 174.033 175.510 -0.210 0.000 1.076 434 N CA -0.366 52.615 53.050 -0.116 0.000 0.919 434 N CB 1.800 40.256 38.487 -0.052 0.000 1.176 434 N HN 0.318 nan 8.380 nan 0.000 0.487 435 V N 2.251 122.103 119.914 -0.102 0.000 2.752 435 V HA 0.492 4.625 4.120 0.022 0.000 0.302 435 V C -0.398 175.679 176.094 -0.028 0.000 1.133 435 V CA -0.788 61.459 62.300 -0.088 0.000 0.919 435 V CB 1.104 32.893 31.823 -0.057 0.000 1.026 435 V HN 1.020 nan 8.190 nan 0.000 0.429 436 C N 1.821 121.105 119.300 -0.026 0.000 3.284 436 C HA 0.625 5.098 4.460 0.022 0.000 0.348 436 C C 0.857 175.846 174.990 -0.001 0.000 1.448 436 C CA -0.662 58.356 59.018 -0.001 0.000 1.223 436 C CB 1.620 29.365 27.740 0.008 0.000 1.588 436 C HN 0.788 nan 8.230 nan 0.000 0.451 437 E N 0.586 120.793 120.200 0.012 0.000 2.515 437 E HA 0.032 4.395 4.350 0.022 0.000 0.201 437 E C 1.050 177.655 176.600 0.008 0.000 1.071 437 E CA 1.471 57.877 56.400 0.011 0.000 0.880 437 E CB -0.248 29.462 29.700 0.016 0.000 0.828 437 E HN 0.749 nan 8.360 nan 0.000 0.540 438 D N -1.322 119.082 120.400 0.007 0.000 3.877 438 D HA -0.344 4.309 4.640 0.022 0.000 0.210 438 D C 1.392 177.701 176.300 0.016 0.000 1.449 438 D CA 1.956 55.961 54.000 0.008 0.000 2.322 438 D CB -1.495 39.306 40.800 0.002 0.000 1.269 438 D HN 0.242 nan 8.370 nan 0.000 0.404 439 S N -1.107 114.601 115.700 0.013 0.000 2.395 439 S HA 0.132 4.615 4.470 0.022 0.000 0.225 439 S C 2.109 176.726 174.600 0.028 0.000 1.027 439 S CA 0.923 59.132 58.200 0.014 0.000 0.965 439 S CB -0.210 62.991 63.200 0.001 0.000 0.812 439 S HN 0.421 nan 8.310 nan 0.000 0.482 440 L N 1.068 122.309 121.223 0.029 0.000 2.549 440 L HA 0.007 4.360 4.340 0.022 0.000 0.229 440 L C 1.862 178.772 176.870 0.068 0.000 1.158 440 L CA 0.362 55.230 54.840 0.046 0.000 0.842 440 L CB -0.225 41.860 42.059 0.044 0.000 0.952 440 L HN 0.340 nan 8.230 nan 0.000 0.452 441 L N -1.311 119.946 121.223 0.057 0.000 2.500 441 L HA 0.265 4.618 4.340 0.022 0.000 0.219 441 L C 2.305 179.219 176.870 0.072 0.000 1.057 441 L CA 1.163 56.042 54.840 0.066 0.000 0.854 441 L CB -0.065 42.021 42.059 0.045 0.000 1.078 441 L HN 0.007 nan 8.230 nan 0.000 0.480 442 A N -1.421 121.433 122.820 0.057 0.000 1.903 442 A HA -0.014 4.319 4.320 0.022 0.000 0.213 442 A C 2.104 179.726 177.584 0.064 0.000 1.185 442 A CA 1.632 53.704 52.037 0.058 0.000 0.628 442 A CB -0.895 18.126 19.000 0.036 0.000 0.830 442 A HN 0.360 nan 8.150 nan 0.000 0.446 443 T N 1.243 115.831 114.554 0.058 0.000 2.635 443 T HA -0.114 4.249 4.350 0.022 0.000 0.267 443 T C -0.278 174.478 174.700 0.094 0.000 1.040 443 T CA 2.005 64.144 62.100 0.065 0.000 1.156 443 T CB -1.167 67.740 68.868 0.065 0.000 0.863 443 T HN 0.469 nan 8.240 nan 0.000 0.430 444 P HA -0.019 nan 4.420 nan 0.000 0.219 444 P C 1.373 178.743 177.300 0.118 0.000 1.146 444 P CA 0.909 64.096 63.100 0.145 0.000 0.808 444 P CB -0.101 31.704 31.700 0.175 0.000 0.779 445 L N -1.073 120.228 121.223 0.130 0.000 2.240 445 L HA 0.028 4.381 4.340 0.022 0.000 0.211 445 L C 2.674 179.552 176.870 0.015 0.000 1.106 445 L CA 1.015 55.956 54.840 0.168 0.000 0.793 445 L CB -0.824 41.391 42.059 0.260 0.000 0.927 445 L HN -0.153 nan 8.230 nan 0.000 0.446 446 I N -0.909 119.673 120.570 0.020 0.000 2.202 446 I HA -0.323 3.860 4.170 0.022 0.000 0.242 446 I C 2.292 178.372 176.117 -0.061 0.000 1.091 446 I CA 1.352 62.637 61.300 -0.025 0.000 1.368 446 I CB -0.210 37.789 38.000 -0.002 0.000 1.058 446 I HN 0.151 nan 8.210 nan 0.000 0.410 447 I N 0.860 121.432 120.570 0.003 0.000 2.151 447 I HA -0.359 3.824 4.170 0.022 0.000 0.243 447 I C 2.078 178.145 176.117 -0.083 0.000 1.080 447 I CA 1.568 62.895 61.300 0.044 0.000 1.339 447 I CB -0.669 37.347 38.000 0.028 0.000 1.039 447 I HN 0.279 nan 8.210 nan 0.000 0.409 448 D N 0.871 121.149 120.400 -0.204 0.000 2.149 448 D HA -0.155 4.498 4.640 0.022 0.000 0.198 448 D C 2.322 178.145 176.300 -0.795 0.000 0.990 448 D CA 1.154 54.888 54.000 -0.444 0.000 0.839 448 D CB -0.287 40.267 40.800 -0.410 0.000 0.948 448 D HN 0.327 nan 8.370 nan 0.000 0.460 449 L N 0.098 120.882 121.223 -0.731 0.000 2.056 449 L HA -0.116 4.237 4.340 0.022 0.000 0.207 449 L C 2.514 179.211 176.870 -0.290 0.000 1.078 449 L CA 0.619 55.112 54.840 -0.579 0.000 0.749 449 L CB -0.260 41.622 42.059 -0.295 0.000 0.901 449 L HN 0.065 nan 8.230 nan 0.000 0.433 450 L N -1.123 119.989 121.223 -0.184 0.000 2.046 450 L HA -0.207 4.146 4.340 0.022 0.000 0.208 450 L C 2.478 179.338 176.870 -0.017 0.000 1.077 450 L CA 0.926 55.701 54.840 -0.108 0.000 0.747 450 L CB -0.512 41.458 42.059 -0.149 0.000 0.896 450 L HN 0.081 nan 8.230 nan 0.000 0.432 451 V N -0.869 119.061 119.914 0.026 0.000 2.548 451 V HA -0.253 3.880 4.120 0.022 0.000 0.249 451 V C 2.296 178.419 176.094 0.049 0.000 1.055 451 V CA 1.411 63.761 62.300 0.083 0.000 1.065 451 V CB -0.201 31.646 31.823 0.040 0.000 0.681 451 V HN 0.347 nan 8.190 nan 0.000 0.462 452 M N -0.550 119.007 119.600 -0.071 0.000 2.334 452 M HA -0.033 4.460 4.480 0.022 0.000 0.266 452 M C 2.084 178.428 176.300 0.073 0.000 1.082 452 M CA 1.584 56.882 55.300 -0.003 0.000 1.141 452 M CB -0.723 31.779 32.600 -0.164 0.000 1.380 452 M HN 0.291 nan 8.290 nan 0.000 0.440 453 T N -0.016 114.539 114.554 0.002 0.000 2.737 453 T HA -0.134 4.229 4.350 0.022 0.000 0.265 453 T C 1.735 176.459 174.700 0.041 0.000 1.038 453 T CA 1.453 63.567 62.100 0.024 0.000 1.144 453 T CB -0.192 68.682 68.868 0.010 0.000 0.866 453 T HN 0.354 nan 8.240 nan 0.000 0.434 454 E N 0.775 121.010 120.200 0.058 0.000 2.051 454 E HA -0.128 4.235 4.350 0.022 0.000 0.192 454 E C 1.993 178.630 176.600 0.062 0.000 0.991 454 E CA 1.211 57.650 56.400 0.064 0.000 0.799 454 E CB -0.439 29.311 29.700 0.083 0.000 0.748 454 E HN 0.528 nan 8.360 nan 0.000 0.449 455 F N 0.989 120.916 119.950 -0.039 0.000 2.095 455 F HA -0.247 4.293 4.527 0.021 0.000 0.298 455 F C 2.638 178.359 175.800 -0.131 0.000 1.104 455 F CA 1.840 59.798 58.000 -0.069 0.000 1.232 455 F CB -0.446 38.525 39.000 -0.048 0.000 0.987 455 F HN 0.102 nan 8.300 nan 0.000 0.475 456 C N 0.228 119.611 119.300 0.139 0.000 2.410 456 C HA -0.171 4.302 4.460 0.022 0.000 0.281 456 C C 2.678 177.389 174.990 -0.466 0.000 1.318 456 C CA 1.677 60.624 59.018 -0.118 0.000 1.776 456 C CB -1.568 26.184 27.740 0.020 0.000 1.942 456 C HN 0.588 nan 8.230 nan 0.000 0.508 457 T N 0.528 114.920 114.554 -0.270 0.000 2.720 457 T HA -0.157 4.206 4.350 0.022 0.000 0.268 457 T C 1.551 176.174 174.700 -0.128 0.000 1.037 457 T CA 1.142 63.186 62.100 -0.093 0.000 1.144 457 T CB -0.250 68.667 68.868 0.082 0.000 0.864 457 T HN 0.599 nan 8.240 nan 0.000 0.444 458 R N 1.162 121.501 120.500 -0.270 0.000 2.535 458 R HA 0.218 4.571 4.340 0.022 0.000 0.233 458 R C -0.684 175.362 176.300 -0.423 0.000 1.202 458 R CA -0.012 55.900 56.100 -0.313 0.000 1.205 458 R CB -0.112 29.978 30.300 -0.349 0.000 1.153 458 R HN 0.206 nan 8.270 nan 0.000 0.512 459 V N 0.712 120.334 119.914 -0.487 0.000 2.531 459 V HA 0.302 4.435 4.120 0.022 0.000 0.301 459 V C -0.145 175.711 176.094 -0.398 0.000 1.034 459 V CA -0.795 61.197 62.300 -0.512 0.000 0.865 459 V CB 1.901 33.293 31.823 -0.718 0.000 0.995 459 V HN 0.253 nan 8.190 nan 0.000 0.424 460 S N 4.003 119.597 115.700 -0.177 0.000 2.599 460 S HA 0.963 5.446 4.470 0.022 0.000 0.287 460 S C -1.052 173.574 174.600 0.044 0.000 1.105 460 S CA -0.767 57.361 58.200 -0.121 0.000 0.899 460 S CB 2.372 65.351 63.200 -0.367 0.000 1.100 460 S HN 1.002 nan 8.310 nan 0.000 0.482 461 Y N -1.241 119.147 120.300 0.145 0.000 2.728 461 Y HA 0.872 5.435 4.550 0.021 0.000 0.330 461 Y C -1.471 174.621 175.900 0.320 0.000 1.234 461 Y CA -1.305 56.880 58.100 0.142 0.000 1.070 461 Y CB 0.990 39.395 38.460 -0.092 0.000 1.300 461 Y HN 1.012 nan 8.280 nan 0.000 0.467 462 K N -0.062 120.660 120.400 0.536 0.000 2.589 462 K HA 0.397 4.730 4.320 0.022 0.000 0.265 462 K C -2.073 174.591 176.600 0.106 0.000 0.935 462 K CA -1.112 55.363 56.287 0.313 0.000 0.850 462 K CB 1.974 34.565 32.500 0.152 0.000 1.372 462 K HN 0.605 nan 8.250 nan 0.000 0.420 463 K N 2.383 122.733 120.400 -0.084 0.000 2.228 463 K HA 0.131 4.464 4.320 0.022 0.000 0.284 463 K C 0.154 176.624 176.600 -0.218 0.000 1.088 463 K CA -0.438 55.605 56.287 -0.406 0.000 0.941 463 K CB 0.589 32.891 32.500 -0.330 0.000 1.158 463 K HN 0.302 nan 8.250 nan 0.000 0.438 464 V N 1.991 121.801 119.914 -0.173 0.000 3.625 464 V HA -0.106 4.027 4.120 0.022 0.000 0.302 464 V C 0.349 176.387 176.094 -0.093 0.000 1.112 464 V CA 0.354 62.604 62.300 -0.083 0.000 1.173 464 V CB 0.746 32.562 31.823 -0.011 0.000 1.096 464 V HN 0.732 nan 8.190 nan 0.000 0.486 465 D N 1.013 121.375 120.400 -0.064 0.000 2.476 465 D HA 0.501 5.154 4.640 0.022 0.000 0.251 465 D C -1.898 174.382 176.300 -0.033 0.000 1.291 465 D CA -1.095 52.873 54.000 -0.053 0.000 0.939 465 D CB 1.117 41.883 40.800 -0.056 0.000 1.221 465 D HN 0.404 nan 8.370 nan 0.000 0.567 474 F N 2.661 122.583 119.950 -0.047 0.000 2.542 474 F HA 0.204 4.744 4.527 0.022 0.000 0.323 474 F C -0.359 175.384 175.800 -0.095 0.000 1.411 474 F CA -0.790 57.175 58.000 -0.058 0.000 1.124 474 F CB 0.861 39.843 39.000 -0.030 0.000 1.331 474 F HN 0.562 nan 8.300 nan 0.000 0.560 475 E N 0.978 121.206 120.200 0.046 0.000 2.392 475 E HA 0.100 4.463 4.350 0.022 0.000 0.264 475 E C -0.165 176.305 176.600 -0.217 0.000 1.024 475 E CA -0.621 55.727 56.400 -0.086 0.000 0.903 475 E CB 0.751 30.403 29.700 -0.080 0.000 0.963 475 E HN 0.390 nan 8.360 nan 0.000 0.432 476 N N 1.729 120.396 118.700 -0.054 0.000 2.240 476 N HA -0.024 4.729 4.740 0.022 0.000 0.245 476 N C 0.423 176.121 175.510 0.313 0.000 1.311 476 N CA 0.264 53.390 53.050 0.126 0.000 0.873 476 N CB 0.080 38.722 38.487 0.257 0.000 1.049 476 N HN 0.436 nan 8.380 nan 0.000 0.466 477 F N -0.763 119.461 119.950 0.457 0.000 2.023 477 F HA -0.032 4.508 4.527 0.021 0.000 0.234 477 F C 0.762 176.957 175.800 0.659 0.000 0.954 477 F CA -0.515 57.839 58.000 0.591 0.000 1.180 477 F CB 0.048 39.219 39.000 0.285 0.000 1.932 477 F HN 0.308 nan 8.300 nan 0.000 0.556 478 Y N 2.151 122.800 120.300 0.581 0.000 2.330 478 Y HA 0.291 4.854 4.550 0.021 0.000 0.336 478 Y C -1.948 174.231 175.900 0.466 0.000 1.036 478 Y CA -3.609 54.714 58.100 0.371 0.000 1.125 478 Y CB 0.994 39.548 38.460 0.156 0.000 1.194 478 Y HN 0.079 nan 8.280 nan 0.000 0.469 479 P HA -0.208 nan 4.420 nan 0.000 0.218 479 P C -0.389 176.912 177.300 0.002 0.000 1.147 479 P CA 1.560 64.722 63.100 0.103 0.000 0.827 479 P CB 0.038 31.671 31.700 -0.111 0.000 0.778 480 V N 0.984 120.654 119.914 -0.406 0.000 2.353 480 V HA 0.070 4.203 4.120 0.022 0.000 0.264 480 V C 0.654 176.738 176.094 -0.017 0.000 1.049 480 V CA -0.331 61.781 62.300 -0.313 0.000 0.896 480 V CB 0.333 31.860 31.823 -0.494 0.000 1.025 480 V HN -0.031 nan 8.190 nan 0.000 0.475 481 L N 5.551 126.802 121.223 0.045 0.000 2.451 481 L HA 0.101 4.454 4.340 0.022 0.000 0.272 481 L C 1.591 178.531 176.870 0.118 0.000 1.258 481 L CA -0.060 54.849 54.840 0.115 0.000 1.132 481 L CB -0.292 41.824 42.059 0.095 0.000 1.361 481 L HN 0.816 nan 8.230 nan 0.000 0.438 482 T N -3.063 111.538 114.554 0.077 0.000 3.361 482 T HA 0.018 4.381 4.350 0.022 0.000 0.251 482 T C 0.858 175.456 174.700 -0.170 0.000 1.131 482 T CA 0.329 62.400 62.100 -0.049 0.000 1.001 482 T CB -0.398 68.388 68.868 -0.136 0.000 1.003 482 T HN 0.351 nan 8.240 nan 0.000 0.558 483 F N 0.394 120.355 119.950 0.019 0.000 2.682 483 F HA 0.477 5.017 4.527 0.022 0.000 0.308 483 F C 1.209 177.168 175.800 0.265 0.000 1.093 483 F CA -0.409 57.621 58.000 0.050 0.000 1.244 483 F CB 0.517 39.526 39.000 0.016 0.000 1.052 483 F HN 0.132 nan 8.300 nan 0.000 0.573 484 L N -1.363 120.129 121.223 0.449 0.000 2.741 484 L HA 0.179 4.532 4.340 0.022 0.000 0.237 484 L C 1.691 178.881 176.870 0.534 0.000 1.178 484 L CA 0.030 55.281 54.840 0.686 0.000 0.973 484 L CB -0.320 41.994 42.059 0.425 0.000 1.255 484 L HN -0.051 nan 8.230 nan 0.000 0.498 485 S N -0.004 115.850 115.700 0.256 0.000 2.382 485 S HA -0.225 4.258 4.470 0.022 0.000 0.228 485 S C 1.801 176.442 174.600 0.068 0.000 1.027 485 S CA 1.080 59.354 58.200 0.124 0.000 0.991 485 S CB -0.315 62.894 63.200 0.015 0.000 0.823 485 S HN 0.583 nan 8.310 nan 0.000 0.469 486 Y N 0.460 120.637 120.300 -0.205 0.000 2.446 486 Y HA -0.170 4.394 4.550 0.024 0.000 0.287 486 Y C 1.315 176.949 175.900 -0.443 0.000 1.159 486 Y CA 1.279 59.092 58.100 -0.478 0.000 1.297 486 Y CB -0.107 37.791 38.460 -0.937 0.000 0.974 486 Y HN 0.363 nan 8.280 nan 0.000 0.557 487 W N -0.966 120.390 121.300 0.093 0.000 2.871 487 W HA 0.287 4.959 4.660 0.020 0.000 0.340 487 W C -0.632 175.893 176.519 0.011 0.000 1.058 487 W CA -0.256 57.109 57.345 0.035 0.000 1.633 487 W CB 0.503 30.038 29.460 0.124 0.000 1.067 487 W HN -0.201 nan 8.180 nan 0.000 0.554 488 L N 1.066 122.415 121.223 0.209 0.000 2.322 488 L HA 0.296 4.649 4.340 0.022 0.000 0.281 488 L C 1.209 178.117 176.870 0.063 0.000 1.014 488 L CA -0.172 54.752 54.840 0.140 0.000 0.815 488 L CB 1.996 44.147 42.059 0.153 0.000 1.247 488 L HN -0.114 nan 8.230 nan 0.000 0.421 489 K N 2.593 123.026 120.400 0.054 0.000 2.167 489 K HA 0.095 4.428 4.320 0.022 0.000 0.203 489 K C 0.772 177.392 176.600 0.033 0.000 1.052 489 K CA 1.017 57.320 56.287 0.026 0.000 0.956 489 K CB 0.433 32.950 32.500 0.028 0.000 0.735 489 K HN 0.691 nan 8.250 nan 0.000 0.451 490 A N 1.834 124.690 122.820 0.059 0.000 3.154 490 A HA 0.316 4.649 4.320 0.022 0.000 0.310 490 A C -2.468 175.159 177.584 0.072 0.000 1.093 490 A CA -1.351 50.725 52.037 0.066 0.000 1.006 490 A CB 0.162 19.216 19.000 0.091 0.000 1.084 490 A HN 0.056 nan 8.150 nan 0.000 0.549 491 P HA -0.170 nan 4.420 nan 0.000 0.207 491 P C 0.119 177.453 177.300 0.055 0.000 0.945 491 P CA 0.701 63.831 63.100 0.049 0.000 1.033 491 P CB -0.282 31.430 31.700 0.020 0.000 1.023 492 L N 3.690 124.949 121.223 0.059 0.000 2.584 492 L HA 0.086 4.439 4.340 0.022 0.000 0.272 492 L C 0.770 177.673 176.870 0.055 0.000 1.195 492 L CA 0.686 55.559 54.840 0.055 0.000 0.920 492 L CB 0.170 42.231 42.059 0.004 0.000 1.173 492 L HN 0.376 nan 8.230 nan 0.000 0.489 493 T N 2.838 117.452 114.554 0.099 0.000 2.724 493 T HA 0.553 4.915 4.350 0.022 0.000 0.274 493 T C -0.224 174.611 174.700 0.225 0.000 0.984 493 T CA -1.076 61.117 62.100 0.154 0.000 1.024 493 T CB 1.352 70.301 68.868 0.136 0.000 1.320 493 T HN 0.768 nan 8.240 nan 0.000 0.555 494 R N -0.308 120.387 120.500 0.324 0.000 2.607 494 R HA 0.672 5.025 4.340 0.022 0.000 0.261 494 R C -2.755 173.701 176.300 0.259 0.000 1.051 494 R CA -1.740 54.560 56.100 0.333 0.000 1.110 494 R CB -0.850 29.684 30.300 0.390 0.000 1.158 494 R HN 0.301 nan 8.270 nan 0.000 0.543 495 P HA -0.040 nan 4.420 nan 0.000 0.264 495 P C 0.212 177.503 177.300 -0.014 0.000 1.173 495 P CA 1.509 64.652 63.100 0.073 0.000 0.761 495 P CB 0.302 32.024 31.700 0.038 0.000 0.794 496 G N 0.866 109.659 108.800 -0.012 0.000 2.296 496 G HA2 -0.270 3.703 3.960 0.022 0.000 0.282 496 G HA3 -0.270 3.703 3.960 0.022 0.000 0.282 496 G C -0.267 174.544 174.900 -0.149 0.000 1.014 496 G CA -0.223 44.822 45.100 -0.091 0.000 0.812 496 G HN 0.354 nan 8.290 nan 0.000 0.508 497 F N 0.343 120.301 119.950 0.014 0.000 2.467 497 F HA 0.439 4.979 4.527 0.021 0.000 0.336 497 F C 0.785 176.655 175.800 0.116 0.000 1.123 497 F CA -1.677 56.322 58.000 -0.003 0.000 0.964 497 F CB 1.250 40.249 39.000 -0.001 0.000 1.136 497 F HN 0.180 nan 8.300 nan 0.000 0.447 498 H N 4.870 124.106 119.070 0.278 0.000 2.911 498 H HA 0.214 4.783 4.556 0.023 0.000 0.273 498 H C -1.843 173.517 175.328 0.052 0.000 1.157 498 H CA -1.873 54.251 56.048 0.126 0.000 1.402 498 H CB 0.366 30.186 29.762 0.097 0.000 1.463 498 H HN 0.312 nan 8.280 nan 0.000 0.475 499 P HA -0.020 nan 4.420 nan 0.000 0.268 499 P C -0.011 177.298 177.300 0.014 0.000 1.205 499 P CA -0.082 63.033 63.100 0.025 0.000 0.771 499 P CB 1.391 33.106 31.700 0.025 0.000 0.858 500 V N 3.012 122.910 119.914 -0.027 0.000 2.973 500 V HA 0.250 4.383 4.120 0.022 0.000 0.314 500 V C 1.209 177.284 176.094 -0.032 0.000 1.066 500 V CA -0.366 61.921 62.300 -0.022 0.000 1.021 500 V CB 1.305 33.108 31.823 -0.033 0.000 1.076 500 V HN 0.637 nan 8.190 nan 0.000 0.462 501 N N 1.305 119.989 118.700 -0.026 0.000 2.509 501 N HA 0.060 4.813 4.740 0.022 0.000 0.254 501 N C 1.486 176.979 175.510 -0.028 0.000 1.064 501 N CA 0.735 53.764 53.050 -0.034 0.000 0.865 501 N CB 0.023 38.489 38.487 -0.034 0.000 1.659 501 N HN 0.861 nan 8.380 nan 0.000 0.495 502 G N 4.331 113.124 108.800 -0.012 0.000 2.023 502 G HA2 -0.205 3.768 3.960 0.022 0.000 0.273 502 G HA3 -0.205 3.768 3.960 0.022 0.000 0.273 502 G C 1.298 176.200 174.900 0.005 0.000 0.590 502 G CA 0.407 45.508 45.100 0.003 0.000 1.292 502 G HN 0.232 nan 8.290 nan 0.000 0.445 503 L N 0.858 122.072 121.223 -0.014 0.000 2.402 503 L HA -0.412 3.941 4.340 0.022 0.000 0.240 503 L C 2.498 179.414 176.870 0.078 0.000 1.135 503 L CA 2.963 57.800 54.840 -0.006 0.000 0.830 503 L CB -0.564 41.467 42.059 -0.046 0.000 0.988 503 L HN 0.531 nan 8.230 nan 0.000 0.428 504 N N -0.846 117.889 118.700 0.059 0.000 2.348 504 N HA -0.171 4.582 4.740 0.022 0.000 0.185 504 N C 1.673 177.203 175.510 0.033 0.000 1.019 504 N CA 1.533 54.615 53.050 0.053 0.000 0.880 504 N CB -0.218 38.288 38.487 0.031 0.000 0.965 504 N HN 0.568 nan 8.380 nan 0.000 0.437 505 K N 1.073 121.488 120.400 0.026 0.000 2.025 505 K HA -0.068 4.265 4.320 0.022 0.000 0.207 505 K C 2.085 178.690 176.600 0.008 0.000 1.049 505 K CA 0.954 57.248 56.287 0.013 0.000 0.933 505 K CB -0.087 32.415 32.500 0.004 0.000 0.714 505 K HN 0.235 nan 8.250 nan 0.000 0.438 506 Q N 0.236 120.044 119.800 0.014 0.000 2.096 506 Q HA -0.187 4.166 4.340 0.022 0.000 0.204 506 Q C 2.215 178.209 176.000 -0.009 0.000 0.982 506 Q CA 1.390 57.198 55.803 0.008 0.000 0.850 506 Q CB -0.079 28.681 28.738 0.037 0.000 0.901 506 Q HN 0.218 nan 8.270 nan 0.000 0.422 507 R N -0.178 120.306 120.500 -0.026 0.000 2.115 507 R HA -0.078 4.275 4.340 0.022 0.000 0.226 507 R C 1.875 178.145 176.300 -0.051 0.000 1.100 507 R CA 1.410 57.385 56.100 -0.209 0.000 0.980 507 R CB 0.050 30.167 30.300 -0.305 0.000 0.875 507 R HN 0.157 nan 8.270 nan 0.000 0.445 508 T N 0.668 115.222 114.554 0.000 0.000 2.770 508 T HA -0.039 4.324 4.350 0.022 0.000 0.263 508 T C 1.784 176.526 174.700 0.069 0.000 1.039 508 T CA 1.231 63.350 62.100 0.032 0.000 1.142 508 T CB -0.223 68.662 68.868 0.028 0.000 0.868 508 T HN 0.427 nan 8.240 nan 0.000 0.435 509 A N 1.412 124.276 122.820 0.073 0.000 1.892 509 A HA -0.120 4.213 4.320 0.022 0.000 0.218 509 A C 2.236 179.994 177.584 0.290 0.000 1.188 509 A CA 1.647 53.767 52.037 0.137 0.000 0.631 509 A CB -1.026 17.992 19.000 0.030 0.000 0.822 509 A HN 0.412 nan 8.150 nan 0.000 0.447 510 L N -0.172 121.208 121.223 0.262 0.000 2.012 510 L HA -0.199 4.154 4.340 0.022 0.000 0.210 510 L C 2.450 179.414 176.870 0.157 0.000 1.073 510 L CA 2.677 57.692 54.840 0.292 0.000 0.748 510 L CB -0.546 41.642 42.059 0.215 0.000 0.891 510 L HN 0.616 nan 8.230 nan 0.000 0.431 511 E N -0.774 119.490 120.200 0.107 0.000 2.051 511 E HA -0.254 4.109 4.350 0.022 0.000 0.192 511 E C 1.777 178.368 176.600 -0.016 0.000 0.991 511 E CA 1.362 57.773 56.400 0.018 0.000 0.799 511 E CB -0.061 29.665 29.700 0.043 0.000 0.748 511 E HN 0.522 nan 8.360 nan 0.000 0.449 512 N N -0.031 118.698 118.700 0.049 0.000 2.443 512 N HA -0.130 4.623 4.740 0.022 0.000 0.184 512 N C 1.316 176.853 175.510 0.044 0.000 1.037 512 N CA 0.626 53.707 53.050 0.052 0.000 0.896 512 N CB -0.322 38.224 38.487 0.097 0.000 0.959 512 N HN 0.274 nan 8.380 nan 0.000 0.442 513 F N 0.897 120.741 119.950 -0.177 0.000 2.074 513 F HA -0.012 4.528 4.527 0.022 0.000 0.290 513 F C 1.923 177.498 175.800 -0.376 0.000 1.118 513 F CA 0.507 58.282 58.000 -0.375 0.000 1.199 513 F CB -0.069 38.546 39.000 -0.641 0.000 1.012 513 F HN -0.096 nan 8.300 nan 0.000 0.472 514 L N 0.433 121.413 121.223 -0.406 0.000 2.064 514 L HA -0.322 4.031 4.340 0.022 0.000 0.216 514 L C 2.568 179.213 176.870 -0.374 0.000 1.077 514 L CA 1.603 56.142 54.840 -0.502 0.000 0.766 514 L CB -0.866 40.887 42.059 -0.510 0.000 0.890 514 L HN 0.223 nan 8.230 nan 0.000 0.435 515 R N 0.025 120.374 120.500 -0.252 0.000 2.073 515 R HA -0.176 4.177 4.340 0.022 0.000 0.234 515 R C 2.321 178.540 176.300 -0.134 0.000 1.134 515 R CA 1.676 57.682 56.100 -0.157 0.000 0.952 515 R CB -0.592 29.658 30.300 -0.082 0.000 0.850 515 R HN 0.333 nan 8.270 nan 0.000 0.433 516 L N -0.399 120.725 121.223 -0.164 0.000 2.079 516 L HA -0.110 4.243 4.340 0.022 0.000 0.210 516 L C 1.985 178.743 176.870 -0.187 0.000 1.081 516 L CA 1.588 56.364 54.840 -0.107 0.000 0.752 516 L CB -0.928 40.906 42.059 -0.375 0.000 0.896 516 L HN -0.030 nan 8.230 nan 0.000 0.433 517 L N 0.455 121.425 121.223 -0.421 0.000 2.187 517 L HA -0.113 4.239 4.340 0.022 0.000 0.213 517 L C 2.164 178.924 176.870 -0.183 0.000 1.100 517 L CA 1.856 56.459 54.840 -0.396 0.000 0.765 517 L CB -0.726 40.999 42.059 -0.556 0.000 0.904 517 L HN 0.667 nan 8.230 nan 0.000 0.437 518 I N -4.813 115.679 120.570 -0.131 0.000 3.914 518 I HA 0.481 4.664 4.170 0.022 0.000 0.333 518 I C 1.253 177.375 176.117 0.009 0.000 1.449 518 I CA 0.407 61.680 61.300 -0.045 0.000 1.135 518 I CB -0.331 37.640 38.000 -0.047 0.000 1.073 518 I HN 0.177 nan 8.210 nan 0.000 0.401 519 G N 1.507 110.323 108.800 0.027 0.000 2.143 519 G HA2 -0.218 3.755 3.960 0.022 0.000 0.249 519 G HA3 -0.218 3.755 3.960 0.022 0.000 0.249 519 G C -0.284 174.650 174.900 0.057 0.000 0.981 519 G CA -0.088 45.053 45.100 0.068 0.000 0.665 519 G HN 0.296 nan 8.290 nan 0.000 0.528 520 L N 2.002 123.244 121.223 0.032 0.000 2.325 520 L HA 0.657 5.010 4.340 0.022 0.000 0.279 520 L C -0.933 175.972 176.870 0.058 0.000 1.054 520 L CA -2.311 52.542 54.840 0.022 0.000 0.804 520 L CB 1.180 43.228 42.059 -0.018 0.000 1.200 520 L HN 0.029 nan 8.230 nan 0.000 0.436 521 P HA 0.280 nan 4.420 nan 0.000 0.312 521 P C -0.689 176.647 177.300 0.060 0.000 1.308 521 P CA -0.543 62.605 63.100 0.079 0.000 0.743 521 P CB 0.574 32.297 31.700 0.038 0.000 1.364 522 S N -0.437 115.301 115.700 0.062 0.000 2.614 522 S HA 0.138 4.621 4.470 0.022 0.000 0.265 522 S C 0.396 174.996 174.600 0.000 0.000 1.303 522 S CA -0.540 57.685 58.200 0.041 0.000 1.000 522 S CB -0.087 63.142 63.200 0.049 0.000 0.935 522 S HN 0.290 nan 8.310 nan 0.000 0.551 523 Q N 2.307 122.102 119.800 -0.007 0.000 2.307 523 Q HA 0.114 4.467 4.340 0.022 0.000 0.259 523 Q C 0.356 176.332 176.000 -0.039 0.000 0.998 523 Q CA -0.159 55.627 55.803 -0.028 0.000 0.923 523 Q CB 0.553 29.279 28.738 -0.020 0.000 1.196 523 Q HN 0.738 nan 8.270 nan 0.000 0.416 524 N N 1.429 120.088 118.700 -0.067 0.000 2.356 524 N HA -0.081 4.671 4.740 0.022 0.000 0.178 524 N C -0.149 175.301 175.510 -0.099 0.000 1.075 524 N CA 0.059 53.053 53.050 -0.092 0.000 0.889 524 N CB 0.422 38.822 38.487 -0.144 0.000 0.999 524 N HN 0.363 nan 8.380 nan 0.000 0.464 525 E N -0.500 119.648 120.200 -0.085 0.000 3.065 525 E HA -0.200 4.162 4.350 0.022 0.000 0.277 525 E C 0.510 177.060 176.600 -0.083 0.000 1.008 525 E CA 0.542 56.904 56.400 -0.063 0.000 0.864 525 E CB -1.862 27.820 29.700 -0.031 0.000 1.439 525 E HN 0.529 nan 8.360 nan 0.000 0.445 526 L N -0.260 120.852 121.223 -0.184 0.000 2.478 526 L HA 0.057 4.410 4.340 0.022 0.000 0.223 526 L C 1.060 177.875 176.870 -0.092 0.000 1.140 526 L CA 0.351 55.023 54.840 -0.280 0.000 0.842 526 L CB -0.264 41.279 42.059 -0.860 0.000 0.953 526 L HN 0.080 nan 8.230 nan 0.000 0.452 527 R N -0.082 120.386 120.500 -0.053 0.000 3.034 527 R HA -0.228 4.125 4.340 0.022 0.000 0.237 527 R C 0.819 177.254 176.300 0.226 0.000 0.861 527 R CA 0.233 56.367 56.100 0.058 0.000 0.588 527 R CB -1.807 28.529 30.300 0.060 0.000 1.035 527 R HN 0.370 nan 8.270 nan 0.000 0.488 528 F N 0.969 120.917 119.950 -0.002 0.000 2.502 528 F HA -0.101 4.439 4.527 0.022 0.000 0.298 528 F C 2.080 177.879 175.800 -0.002 0.000 1.111 528 F CA 0.199 58.198 58.000 -0.002 0.000 1.445 528 F CB 0.163 39.161 39.000 -0.002 0.000 1.081 528 F HN 0.288 nan 8.300 nan 0.000 0.558 529 E N 1.178 121.487 120.200 0.181 0.000 2.335 529 E HA -0.090 4.273 4.350 0.022 0.000 0.191 529 E C 0.523 177.165 176.600 0.069 0.000 1.150 529 E CA 0.396 56.853 56.400 0.094 0.000 1.001 529 E CB -0.008 29.730 29.700 0.064 0.000 1.127 529 E HN 0.640 nan 8.360 nan 0.000 0.462 530 E N 0.408 120.659 120.200 0.084 0.000 3.777 530 E HA 0.036 4.399 4.350 0.022 0.000 0.247 530 E C 1.579 178.204 176.600 0.043 0.000 1.256 530 E CA -0.424 56.010 56.400 0.057 0.000 1.786 530 E CB 0.123 29.860 29.700 0.062 0.000 1.722 530 E HN -0.053 nan 8.360 nan 0.000 0.810 531 R N 0.526 121.070 120.500 0.075 0.000 2.117 531 R HA -0.055 4.298 4.340 0.022 0.000 0.243 531 R C 0.574 176.840 176.300 -0.056 0.000 1.143 531 R CA 0.855 56.975 56.100 0.034 0.000 0.968 531 R CB -0.500 29.860 30.300 0.101 0.000 0.863 531 R HN 0.129 nan 8.270 nan 0.000 0.444 532 L N 0.417 121.581 121.223 -0.097 0.000 2.375 532 L HA 0.325 4.678 4.340 0.022 0.000 0.268 532 L C 0.658 177.485 176.870 -0.071 0.000 1.058 532 L CA -0.396 54.352 54.840 -0.153 0.000 0.803 532 L CB 0.675 42.561 42.059 -0.288 0.000 1.212 532 L HN -0.122 nan 8.230 nan 0.000 0.451 533 L N 0.000 121.181 121.223 -0.070 0.000 2.949 533 L HA 0.000 4.353 4.340 0.022 0.000 0.249 533 L CA 0.000 54.816 54.840 -0.040 0.000 0.813 533 L CB 0.000 42.036 42.059 -0.039 0.000 0.961 533 L HN 0.000 nan 8.230 nan 0.000 0.502