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 2d6f_1_A DATA FIRST_RESID 2 DATA SEQUENCE SYQGRARKFL ESASIDVGDM VLVEKPDVTY EGMVLDRADD ADDRHIVLKL DATA SEQUENCE ENGYNIGVEI SDARIELLEK GSXXXXXXXX XXAAEDPELP DVSIISTGGT DATA SEQUENCE VASIIDYRTG AVHPAFTADD LLRANPELLD IANIRGRAVF NILSENMKPE DATA SEQUENCE YWVETARAVY GEIKDGADGV VVAHGTDTMH YTSAALSFML RTPVPVVFTG DATA SEQUENCE AQRSSDRPSS DASLNIQCSV RAATSEIAEV TVCMHATMDD LSCHLHRGVK DATA SEQUENCE VRKMHTSRRD TFRSMNALPL AEVTPDGIKI LEENYRKRGS DELELSDRVE DATA SEQUENCE ERVAFIKSYP GISPDIIKWH LDEGYRGIVI EGTGLGHCPD TLIPVIGEAH DATA SEQUENCE DMGVPVAMTS QCLNGRVNMN VYSTGRRLLQ AGVIPCDDML PEVAYVKMCW DATA SEQUENCE VLGQTDDPEM AREMMRENIA GEINERTSIA YFRG 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.615 174.600 0.025 0.000 1.055 2 S CA 0.000 58.228 58.200 0.047 0.000 1.107 2 S CB 0.000 63.201 63.200 0.002 0.000 0.593 3 Y N 2.159 122.468 120.300 0.015 0.000 2.220 3 Y HA 0.610 5.160 4.550 -0.000 0.000 0.347 3 Y C 1.277 177.190 175.900 0.022 0.000 1.311 3 Y CA 0.254 58.367 58.100 0.021 0.000 1.593 3 Y CB 0.381 38.856 38.460 0.025 0.000 1.419 3 Y HN 0.479 nan 8.280 nan 0.000 0.614 4 Q N -0.875 119.048 119.800 0.205 0.000 2.553 4 Q HA 0.366 4.706 4.340 -0.000 0.000 0.293 4 Q C 0.486 176.553 176.000 0.112 0.000 1.038 4 Q CA -0.221 55.653 55.803 0.119 0.000 0.777 4 Q CB 1.621 30.402 28.738 0.071 0.000 1.487 4 Q HN 0.834 nan 8.270 nan 0.000 0.426 5 G N 1.279 110.124 108.800 0.076 0.000 2.596 5 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.421 5 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.421 5 G C 0.888 175.830 174.900 0.069 0.000 1.364 5 G CA 1.312 46.449 45.100 0.062 0.000 0.954 5 G HN 0.698 nan 8.290 nan 0.000 0.524 6 R N -0.086 120.447 120.500 0.055 0.000 2.190 6 R HA -0.247 4.093 4.340 -0.000 0.000 0.255 6 R C 3.189 179.536 176.300 0.079 0.000 1.143 6 R CA 2.662 58.791 56.100 0.048 0.000 0.965 6 R CB -0.884 29.430 30.300 0.023 0.000 0.889 6 R HN 0.712 nan 8.270 nan 0.000 0.448 7 A N 1.098 123.981 122.820 0.105 0.000 1.849 7 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 7 A C 2.166 179.786 177.584 0.059 0.000 1.202 7 A CA 1.927 54.042 52.037 0.130 0.000 0.629 7 A CB -0.725 18.444 19.000 0.283 0.000 0.834 7 A HN 0.386 nan 8.150 nan 0.000 0.447 8 R N -0.683 119.866 120.500 0.082 0.000 2.091 8 R HA -0.221 4.119 4.340 -0.000 0.000 0.238 8 R C 2.174 178.491 176.300 0.027 0.000 1.136 8 R CA 2.063 58.178 56.100 0.024 0.000 0.959 8 R CB -0.260 30.086 30.300 0.076 0.000 0.856 8 R HN 0.366 nan 8.270 nan 0.000 0.437 9 K N -0.062 120.381 120.400 0.072 0.000 2.015 9 K HA -0.184 4.136 4.320 -0.000 0.000 0.216 9 K C 1.486 178.201 176.600 0.191 0.000 1.052 9 K CA 1.918 58.269 56.287 0.108 0.000 0.937 9 K CB -0.463 32.097 32.500 0.100 0.000 0.719 9 K HN 0.165 nan 8.250 nan 0.000 0.446 10 F N -0.169 119.757 119.950 -0.039 0.000 2.732 10 F HA 0.220 4.747 4.527 -0.000 0.000 0.303 10 F C 1.360 177.118 175.800 -0.071 0.000 1.110 10 F CA -0.034 57.939 58.000 -0.045 0.000 1.355 10 F CB 0.188 39.166 39.000 -0.036 0.000 1.081 10 F HN 0.002 nan 8.300 nan 0.000 0.565 11 L N -1.327 119.861 121.223 -0.059 0.000 2.463 11 L HA 0.055 4.395 4.340 -0.000 0.000 0.219 11 L C 1.871 178.641 176.870 -0.167 0.000 1.088 11 L CA 0.580 55.314 54.840 -0.176 0.000 0.849 11 L CB 0.109 41.990 42.059 -0.298 0.000 1.012 11 L HN 0.004 nan 8.230 nan 0.000 0.468 12 E N -0.556 119.579 120.200 -0.110 0.000 2.042 12 E HA -0.082 4.268 4.350 -0.000 0.000 0.189 12 E C 1.740 178.274 176.600 -0.109 0.000 0.974 12 E CA 0.847 57.197 56.400 -0.084 0.000 0.806 12 E CB 0.155 29.837 29.700 -0.031 0.000 0.769 12 E HN 0.226 nan 8.360 nan 0.000 0.451 13 S N 0.311 115.939 115.700 -0.120 0.000 2.672 13 S HA -0.087 4.383 4.470 -0.000 0.000 0.250 13 S C 1.027 175.452 174.600 -0.291 0.000 0.975 13 S CA 0.668 58.766 58.200 -0.170 0.000 0.971 13 S CB -0.048 63.075 63.200 -0.130 0.000 0.765 13 S HN 0.311 nan 8.310 nan 0.000 0.543 14 A N -0.272 122.393 122.820 -0.258 0.000 2.653 14 A HA 0.569 4.889 4.320 -0.000 0.000 0.248 14 A C 0.735 178.233 177.584 -0.144 0.000 1.211 14 A CA -0.071 51.827 52.037 -0.231 0.000 0.991 14 A CB 0.251 19.076 19.000 -0.291 0.000 1.252 14 A HN 0.219 nan 8.150 nan 0.000 0.593 15 S N -0.428 115.200 115.700 -0.119 0.000 3.706 15 S HA -0.155 4.315 4.470 -0.000 0.000 0.363 15 S C -0.126 174.427 174.600 -0.078 0.000 0.999 15 S CA 1.178 59.328 58.200 -0.082 0.000 1.143 15 S CB -1.886 61.276 63.200 -0.063 0.000 0.902 15 S HN 0.596 nan 8.310 nan 0.000 0.476 16 I N 0.986 121.498 120.570 -0.096 0.000 2.474 16 I HA 0.516 4.686 4.170 -0.000 0.000 0.294 16 I C 0.337 176.403 176.117 -0.085 0.000 1.005 16 I CA -0.793 60.455 61.300 -0.086 0.000 1.113 16 I CB 1.442 39.381 38.000 -0.100 0.000 1.289 16 I HN 0.081 nan 8.210 nan 0.000 0.436 17 D N 3.553 123.920 120.400 -0.055 0.000 2.592 17 D HA 0.411 5.051 4.640 -0.000 0.000 0.259 17 D C -0.441 175.850 176.300 -0.014 0.000 1.144 17 D CA -0.491 53.488 54.000 -0.035 0.000 1.080 17 D CB 2.071 42.863 40.800 -0.014 0.000 1.225 17 D HN 0.049 nan 8.370 nan 0.000 0.619 18 V N 0.034 119.962 119.914 0.024 0.000 2.811 18 V HA 0.354 4.474 4.120 -0.000 0.000 0.302 18 V C 1.494 177.605 176.094 0.029 0.000 1.063 18 V CA 1.463 63.796 62.300 0.055 0.000 1.088 18 V CB 0.738 32.610 31.823 0.082 0.000 0.982 18 V HN 0.993 nan 8.190 nan 0.000 0.485 19 G N 3.122 111.941 108.800 0.031 0.000 2.284 19 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.247 19 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.247 19 G C -0.001 174.907 174.900 0.015 0.000 1.012 19 G CA 0.123 45.236 45.100 0.020 0.000 0.618 19 G HN 0.692 nan 8.290 nan 0.000 0.521 20 D N 2.230 122.635 120.400 0.008 0.000 2.390 20 D HA 0.426 5.065 4.640 -0.000 0.000 0.249 20 D C 1.113 177.417 176.300 0.006 0.000 1.144 20 D CA 0.086 54.087 54.000 0.001 0.000 0.880 20 D CB 0.612 41.404 40.800 -0.012 0.000 1.182 20 D HN 0.083 nan 8.370 nan 0.000 0.451 21 M N 2.136 121.741 119.600 0.009 0.000 2.188 21 M HA 0.186 4.666 4.480 -0.000 0.000 0.354 21 M C 0.315 176.621 176.300 0.010 0.000 1.342 21 M CA -0.481 54.829 55.300 0.016 0.000 1.117 21 M CB 0.520 33.131 32.600 0.018 0.000 1.670 21 M HN 0.292 nan 8.290 nan 0.000 0.466 22 V N 3.032 122.955 119.914 0.016 0.000 3.156 22 V HA 0.854 4.974 4.120 -0.000 0.000 0.311 22 V C -1.571 174.540 176.094 0.028 0.000 1.208 22 V CA -1.143 61.162 62.300 0.010 0.000 1.063 22 V CB 2.731 34.551 31.823 -0.005 0.000 1.098 22 V HN 0.822 nan 8.190 nan 0.000 0.452 23 L N 1.550 122.789 121.223 0.026 0.000 2.446 23 L HA 0.779 5.119 4.340 -0.000 0.000 0.268 23 L C -1.310 175.592 176.870 0.054 0.000 0.975 23 L CA -0.418 54.450 54.840 0.046 0.000 0.848 23 L CB 1.706 43.782 42.059 0.030 0.000 1.225 23 L HN 0.701 nan 8.230 nan 0.000 0.410 24 V N 3.947 123.921 119.914 0.100 0.000 2.472 24 V HA 0.512 4.632 4.120 -0.000 0.000 0.290 24 V C -0.287 175.883 176.094 0.126 0.000 1.037 24 V CA -0.520 61.849 62.300 0.115 0.000 0.908 24 V CB 1.626 33.542 31.823 0.155 0.000 0.985 24 V HN 0.764 nan 8.190 nan 0.000 0.454 25 E N 3.867 124.121 120.200 0.091 0.000 2.248 25 E HA 0.671 5.021 4.350 -0.000 0.000 0.267 25 E C -1.218 175.425 176.600 0.072 0.000 0.877 25 E CA -0.983 55.456 56.400 0.065 0.000 0.759 25 E CB 2.898 32.620 29.700 0.036 0.000 1.182 25 E HN 0.541 nan 8.360 nan 0.000 0.418 26 K N 1.582 122.016 120.400 0.057 0.000 2.466 26 K HA 0.319 4.639 4.320 -0.000 0.000 0.260 26 K C -2.128 174.489 176.600 0.027 0.000 1.011 26 K CA -2.071 54.249 56.287 0.055 0.000 0.871 26 K CB 1.530 34.081 32.500 0.085 0.000 1.404 26 K HN 0.101 nan 8.250 nan 0.000 0.450 27 P HA -0.209 nan 4.420 nan 0.000 0.218 27 P C 0.199 177.502 177.300 0.005 0.000 1.146 27 P CA 1.568 64.676 63.100 0.013 0.000 0.813 27 P CB 0.201 31.909 31.700 0.014 0.000 0.778 28 D N -3.354 117.049 120.400 0.005 0.000 2.520 28 D HA 0.095 4.735 4.640 -0.000 0.000 0.223 28 D C 0.199 176.477 176.300 -0.037 0.000 1.186 28 D CA 0.189 54.184 54.000 -0.009 0.000 0.821 28 D CB 0.500 41.302 40.800 0.003 0.000 1.072 28 D HN 0.000 nan 8.370 nan 0.000 0.518 29 V N -0.312 119.573 119.914 -0.049 0.000 3.202 29 V HA 0.691 4.811 4.120 -0.000 0.000 0.306 29 V C -0.879 175.111 176.094 -0.173 0.000 1.283 29 V CA -0.830 61.375 62.300 -0.158 0.000 1.065 29 V CB 2.064 33.761 31.823 -0.211 0.000 1.079 29 V HN 0.125 nan 8.190 nan 0.000 0.448 30 T N 0.873 115.215 114.554 -0.354 0.000 3.842 30 T HA 0.588 4.938 4.350 -0.000 0.000 0.336 30 T C -1.784 172.749 174.700 -0.278 0.000 0.900 30 T CA -0.220 61.760 62.100 -0.200 0.000 1.022 30 T CB 0.089 68.899 68.868 -0.097 0.000 1.068 30 T HN 0.457 nan 8.240 nan 0.000 0.464 31 Y N 1.957 122.269 120.300 0.021 0.000 2.488 31 Y HA 0.744 5.294 4.550 -0.000 0.000 0.325 31 Y C 0.867 176.780 175.900 0.020 0.000 1.204 31 Y CA -1.141 56.973 58.100 0.024 0.000 1.229 31 Y CB 1.247 39.727 38.460 0.034 0.000 1.274 31 Y HN 0.494 nan 8.280 nan 0.000 0.493 32 E N 0.551 120.869 120.200 0.196 0.000 2.432 32 E HA 0.538 4.888 4.350 -0.000 0.000 0.272 32 E C -0.684 175.976 176.600 0.101 0.000 0.937 32 E CA -0.405 56.063 56.400 0.113 0.000 0.812 32 E CB 1.460 31.201 29.700 0.067 0.000 1.377 32 E HN 0.905 nan 8.360 nan 0.000 0.399 33 G N 1.743 110.595 108.800 0.086 0.000 2.619 33 G HA2 0.416 4.376 3.960 -0.000 0.000 0.305 33 G HA3 0.416 4.376 3.960 -0.000 0.000 0.305 33 G C -1.318 173.613 174.900 0.051 0.000 1.330 33 G CA -0.852 44.289 45.100 0.070 0.000 0.789 33 G HN 0.345 nan 8.290 nan 0.000 0.487 34 M N 1.071 120.700 119.600 0.049 0.000 2.216 34 M HA 0.546 5.026 4.480 -0.000 0.000 0.356 34 M C -0.272 176.055 176.300 0.045 0.000 1.205 34 M CA -0.516 54.809 55.300 0.040 0.000 1.122 34 M CB 1.234 33.858 32.600 0.039 0.000 1.571 34 M HN 0.230 nan 8.290 nan 0.000 0.464 35 V N 6.205 126.145 119.914 0.043 0.000 2.686 35 V HA 0.282 4.401 4.120 -0.000 0.000 0.295 35 V C 0.033 176.181 176.094 0.090 0.000 1.055 35 V CA -0.227 62.113 62.300 0.067 0.000 1.050 35 V CB 1.136 32.982 31.823 0.039 0.000 0.984 35 V HN 0.754 nan 8.190 nan 0.000 0.482 36 L N 2.760 124.060 121.223 0.128 0.000 2.341 36 L HA 0.538 4.878 4.340 -0.000 0.000 0.267 36 L C -0.111 176.831 176.870 0.121 0.000 1.009 36 L CA -0.932 53.964 54.840 0.093 0.000 0.819 36 L CB 1.836 43.919 42.059 0.040 0.000 1.323 36 L HN 0.488 nan 8.230 nan 0.000 0.425 37 D N 1.438 121.872 120.400 0.056 0.000 2.472 37 D HA 0.002 4.642 4.640 -0.000 0.000 0.237 37 D C -0.404 175.786 176.300 -0.182 0.000 1.141 37 D CA 0.136 54.131 54.000 -0.008 0.000 0.875 37 D CB 0.899 41.695 40.800 -0.007 0.000 1.192 37 D HN 0.279 nan 8.370 nan 0.000 0.450 38 R N 2.222 122.440 120.500 -0.469 0.000 2.288 38 R HA 0.544 4.884 4.340 -0.000 0.000 0.326 38 R C -0.744 175.369 176.300 -0.311 0.000 0.959 38 R CA -0.653 55.140 56.100 -0.511 0.000 0.834 38 R CB 0.763 30.458 30.300 -1.007 0.000 1.157 38 R HN 0.341 nan 8.270 nan 0.000 0.470 39 A N 3.523 126.231 122.820 -0.186 0.000 2.587 39 A HA -0.039 4.281 4.320 -0.000 0.000 0.235 39 A C 0.538 178.052 177.584 -0.116 0.000 1.044 39 A CA 0.429 52.393 52.037 -0.122 0.000 0.754 39 A CB 0.128 19.073 19.000 -0.091 0.000 0.968 39 A HN 0.930 nan 8.150 nan 0.000 0.509 40 D N 0.939 121.291 120.400 -0.080 0.000 2.123 40 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 40 D C 1.375 177.647 176.300 -0.048 0.000 0.992 40 D CA 1.709 55.675 54.000 -0.057 0.000 0.833 40 D CB -0.059 40.721 40.800 -0.033 0.000 0.954 40 D HN 0.793 nan 8.370 nan 0.000 0.455 41 D N 1.159 121.530 120.400 -0.047 0.000 2.133 41 D HA -0.141 4.499 4.640 -0.000 0.000 0.192 41 D C 0.512 176.785 176.300 -0.044 0.000 1.001 41 D CA 0.772 54.747 54.000 -0.041 0.000 0.844 41 D CB -0.057 40.717 40.800 -0.042 0.000 0.944 41 D HN 0.051 nan 8.370 nan 0.000 0.447 42 A N 1.147 123.930 122.820 -0.061 0.000 2.483 42 A HA 0.114 4.434 4.320 -0.000 0.000 0.238 42 A C 0.399 177.959 177.584 -0.040 0.000 1.070 42 A CA 0.010 52.008 52.037 -0.065 0.000 0.770 42 A CB 0.230 19.174 19.000 -0.094 0.000 1.008 42 A HN 0.419 nan 8.150 nan 0.000 0.497 43 D N 1.544 121.931 120.400 -0.021 0.000 2.348 43 D HA 0.163 4.803 4.640 -0.000 0.000 0.249 43 D C -0.120 176.220 176.300 0.066 0.000 1.110 43 D CA -0.125 53.887 54.000 0.020 0.000 0.967 43 D CB 0.713 41.531 40.800 0.029 0.000 1.139 43 D HN 0.621 nan 8.370 nan 0.000 0.466 44 D N 0.438 120.895 120.400 0.096 0.000 2.132 44 D HA -0.056 4.584 4.640 -0.000 0.000 0.265 44 D C 0.596 177.026 176.300 0.216 0.000 1.194 44 D CA -0.250 53.840 54.000 0.149 0.000 0.988 44 D CB 0.311 41.184 40.800 0.121 0.000 1.167 44 D HN 0.711 nan 8.370 nan 0.000 0.517 45 R N -2.228 118.360 120.500 0.147 0.000 3.769 45 R HA -0.188 4.152 4.340 -0.000 0.000 0.443 45 R C -0.253 175.959 176.300 -0.146 0.000 0.647 45 R CA 1.689 57.804 56.100 0.024 0.000 1.563 45 R CB -1.834 28.498 30.300 0.053 0.000 2.174 45 R HN 0.669 nan 8.270 nan 0.000 0.403 46 H N -0.811 118.307 119.070 0.081 0.000 2.747 46 H HA 0.638 5.194 4.556 -0.000 0.000 0.371 46 H C -0.398 175.026 175.328 0.159 0.000 1.161 46 H CA -0.512 55.584 56.048 0.080 0.000 1.167 46 H CB 1.564 31.348 29.762 0.037 0.000 1.732 46 H HN -0.014 nan 8.280 nan 0.000 0.544 47 I N 1.765 122.483 120.570 0.247 0.000 2.436 47 I HA 0.212 4.382 4.170 -0.000 0.000 0.289 47 I C -0.513 175.710 176.117 0.176 0.000 1.010 47 I CA -1.067 60.406 61.300 0.288 0.000 1.098 47 I CB 1.991 40.064 38.000 0.122 0.000 1.266 47 I HN 0.217 nan 8.210 nan 0.000 0.434 48 V N 7.558 127.595 119.914 0.205 0.000 2.439 48 V HA 0.227 4.347 4.120 -0.000 0.000 0.271 48 V C 0.221 176.361 176.094 0.076 0.000 1.040 48 V CA 0.095 62.447 62.300 0.086 0.000 1.002 48 V CB 0.578 32.425 31.823 0.039 0.000 1.000 48 V HN 0.453 nan 8.190 nan 0.000 0.477 49 L N 4.798 126.031 121.223 0.017 0.000 2.330 49 L HA 0.620 4.960 4.340 -0.000 0.000 0.271 49 L C -0.006 176.882 176.870 0.029 0.000 1.013 49 L CA -0.738 54.113 54.840 0.018 0.000 0.816 49 L CB 1.932 43.978 42.059 -0.022 0.000 1.287 49 L HN 0.479 nan 8.230 nan 0.000 0.435 50 K N 2.742 123.171 120.400 0.049 0.000 2.478 50 K HA 0.472 4.792 4.320 -0.000 0.000 0.236 50 K C -0.622 176.029 176.600 0.084 0.000 1.021 50 K CA -0.479 55.846 56.287 0.064 0.000 1.010 50 K CB 0.427 32.960 32.500 0.054 0.000 1.331 50 K HN 0.440 nan 8.250 nan 0.000 0.470 51 L N 1.901 123.190 121.223 0.109 0.000 2.477 51 L HA -0.071 4.269 4.340 -0.000 0.000 0.289 51 L C 1.797 178.727 176.870 0.101 0.000 1.279 51 L CA 0.287 55.198 54.840 0.118 0.000 0.825 51 L CB 0.316 42.460 42.059 0.142 0.000 1.085 51 L HN 0.742 nan 8.230 nan 0.000 0.548 52 E N 1.023 121.272 120.200 0.081 0.000 2.150 52 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 52 E C 1.577 178.217 176.600 0.068 0.000 0.985 52 E CA 1.494 57.932 56.400 0.065 0.000 0.814 52 E CB 0.055 29.783 29.700 0.046 0.000 0.752 52 E HN 0.829 nan 8.360 nan 0.000 0.466 53 N N -0.748 117.990 118.700 0.063 0.000 2.520 53 N HA -0.033 4.707 4.740 -0.000 0.000 0.185 53 N C 1.302 176.901 175.510 0.148 0.000 1.068 53 N CA 1.309 54.389 53.050 0.051 0.000 0.911 53 N CB 0.212 38.667 38.487 -0.054 0.000 0.961 53 N HN 0.254 nan 8.380 nan 0.000 0.446 54 G N -2.266 106.650 108.800 0.192 0.000 2.238 54 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 54 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 54 G C -0.631 174.449 174.900 0.301 0.000 0.996 54 G CA -0.136 45.106 45.100 0.236 0.000 0.632 54 G HN 0.267 nan 8.290 nan 0.000 0.503 55 Y N 2.413 122.739 120.300 0.044 0.000 2.359 55 Y HA 0.437 4.987 4.550 -0.000 0.000 0.334 55 Y C 1.008 176.925 175.900 0.029 0.000 1.058 55 Y CA -0.939 57.183 58.100 0.036 0.000 1.244 55 Y CB 0.333 38.818 38.460 0.041 0.000 1.187 55 Y HN 0.227 nan 8.280 nan 0.000 0.510 56 N N 3.973 122.725 118.700 0.087 0.000 2.518 56 N HA 0.540 5.280 4.740 -0.000 0.000 0.283 56 N C -0.955 174.583 175.510 0.046 0.000 1.119 56 N CA -0.560 52.517 53.050 0.045 0.000 0.983 56 N CB 1.179 39.661 38.487 -0.007 0.000 1.139 56 N HN 0.564 nan 8.380 nan 0.000 0.465 57 I N -2.233 118.347 120.570 0.017 0.000 2.994 57 I HA 0.662 4.832 4.170 -0.000 0.000 0.306 57 I C -0.506 175.576 176.117 -0.058 0.000 1.195 57 I CA -0.772 60.520 61.300 -0.013 0.000 1.001 57 I CB 1.971 39.962 38.000 -0.016 0.000 1.244 57 I HN 0.406 nan 8.210 nan 0.000 0.437 58 G N 2.845 111.617 108.800 -0.045 0.000 2.379 58 G HA2 0.606 4.566 3.960 -0.000 0.000 0.327 58 G HA3 0.606 4.566 3.960 -0.000 0.000 0.327 58 G C -1.410 173.492 174.900 0.004 0.000 1.145 58 G CA -0.717 44.382 45.100 -0.001 0.000 0.905 58 G HN 1.085 nan 8.290 nan 0.000 0.466 59 V N 2.489 122.408 119.914 0.009 0.000 2.483 59 V HA 0.567 4.687 4.120 -0.000 0.000 0.297 59 V C -0.279 175.797 176.094 -0.029 0.000 1.027 59 V CA -1.009 61.263 62.300 -0.048 0.000 0.855 59 V CB 1.460 33.129 31.823 -0.256 0.000 0.995 59 V HN 0.878 nan 8.190 nan 0.000 0.424 60 E N 5.335 125.467 120.200 -0.113 0.000 2.415 60 E HA 0.086 4.436 4.350 -0.000 0.000 0.260 60 E C 0.806 177.318 176.600 -0.147 0.000 1.016 60 E CA 0.642 56.816 56.400 -0.376 0.000 0.924 60 E CB 0.702 30.228 29.700 -0.289 0.000 0.961 60 E HN 0.769 nan 8.360 nan 0.000 0.459 61 I N 1.574 122.066 120.570 -0.129 0.000 3.883 61 I HA 0.056 4.226 4.170 -0.000 0.000 0.326 61 I C 1.383 177.489 176.117 -0.018 0.000 1.283 61 I CA 0.289 61.580 61.300 -0.016 0.000 1.161 61 I CB -0.140 37.885 38.000 0.042 0.000 1.012 61 I HN 0.462 nan 8.210 nan 0.000 0.421 62 S N 2.101 117.758 115.700 -0.072 0.000 2.423 62 S HA -0.259 4.211 4.470 -0.000 0.000 0.238 62 S C 1.143 175.706 174.600 -0.062 0.000 1.028 62 S CA 1.726 59.880 58.200 -0.077 0.000 1.000 62 S CB -0.671 62.484 63.200 -0.075 0.000 0.797 62 S HN 0.814 nan 8.310 nan 0.000 0.487 63 D N 0.133 120.520 120.400 -0.022 0.000 2.740 63 D HA 0.573 5.213 4.640 -0.000 0.000 0.301 63 D C 0.416 176.743 176.300 0.045 0.000 1.408 63 D CA 0.026 54.027 54.000 0.002 0.000 0.808 63 D CB 0.058 40.858 40.800 0.001 0.000 1.128 63 D HN 0.437 nan 8.370 nan 0.000 0.465 64 A N 0.927 123.792 122.820 0.075 0.000 2.710 64 A HA 0.745 5.065 4.320 -0.000 0.000 0.253 64 A C 0.282 177.953 177.584 0.146 0.000 1.658 64 A CA -0.527 51.575 52.037 0.108 0.000 0.851 64 A CB 0.645 19.708 19.000 0.106 0.000 1.658 64 A HN 0.238 nan 8.150 nan 0.000 0.585 65 R N -0.800 119.775 120.500 0.124 0.000 4.706 65 R HA 0.217 4.557 4.340 -0.000 0.000 0.289 65 R C -2.019 174.297 176.300 0.026 0.000 0.971 65 R CA -0.212 55.944 56.100 0.093 0.000 1.370 65 R CB -0.088 30.264 30.300 0.086 0.000 1.266 65 R HN 0.690 nan 8.270 nan 0.000 0.563 66 I N 2.068 122.613 120.570 -0.041 0.000 2.783 66 I HA 0.489 4.659 4.170 -0.000 0.000 0.312 66 I C -0.156 175.923 176.117 -0.062 0.000 0.988 66 I CA -0.780 60.490 61.300 -0.050 0.000 1.182 66 I CB 1.780 39.730 38.000 -0.084 0.000 1.368 66 I HN 0.518 nan 8.210 nan 0.000 0.511 67 E N 2.777 122.952 120.200 -0.042 0.000 2.367 67 E HA 0.237 4.587 4.350 -0.000 0.000 0.292 67 E C -1.419 175.163 176.600 -0.030 0.000 0.900 67 E CA -0.724 55.653 56.400 -0.038 0.000 0.807 67 E CB 2.216 31.904 29.700 -0.021 0.000 1.337 67 E HN 0.332 nan 8.360 nan 0.000 0.394 68 L N 3.768 124.968 121.223 -0.038 0.000 2.514 68 L HA 0.048 4.388 4.340 -0.000 0.000 0.280 68 L C -0.259 176.601 176.870 -0.016 0.000 1.223 68 L CA 1.032 55.855 54.840 -0.028 0.000 0.864 68 L CB 0.291 42.330 42.059 -0.033 0.000 1.118 68 L HN 0.793 nan 8.230 nan 0.000 0.494 69 L N 3.093 124.311 121.223 -0.008 0.000 3.039 69 L HA 0.455 4.795 4.340 -0.000 0.000 0.269 69 L C -0.021 176.848 176.870 -0.001 0.000 1.169 69 L CA -0.054 54.784 54.840 -0.002 0.000 0.986 69 L CB 0.173 42.235 42.059 0.005 0.000 1.377 69 L HN 0.785 nan 8.230 nan 0.000 0.575 70 E N 0.860 121.058 120.200 -0.003 0.000 3.546 70 E HA 0.094 4.444 4.350 -0.000 0.000 0.348 70 E C -1.309 175.289 176.600 -0.003 0.000 1.092 70 E CA -0.481 55.917 56.400 -0.002 0.000 0.878 70 E CB 1.299 31.001 29.700 0.003 0.000 1.210 70 E HN -0.211 nan 8.360 nan 0.000 0.497 71 K N 1.466 121.862 120.400 -0.005 0.000 2.180 71 K HA 0.337 4.657 4.320 -0.000 0.000 0.251 71 K C 0.771 177.370 176.600 -0.002 0.000 1.014 71 K CA 0.505 56.788 56.287 -0.006 0.000 0.913 71 K CB 0.702 33.197 32.500 -0.008 0.000 1.008 71 K HN 0.672 nan 8.250 nan 0.000 0.490 72 G N 0.461 109.260 108.800 -0.002 0.000 2.597 72 G HA2 0.146 4.106 3.960 -0.000 0.000 0.283 72 G HA3 0.146 4.106 3.960 -0.000 0.000 0.283 72 G C -0.467 174.434 174.900 0.001 0.000 1.319 72 G CA -0.052 45.049 45.100 0.002 0.000 1.054 72 G HN 0.495 nan 8.290 nan 0.000 0.583 85 A N -0.616 122.198 122.820 -0.010 0.000 2.227 85 A HA 0.600 4.920 4.320 -0.000 0.000 0.279 85 A C 0.587 178.166 177.584 -0.008 0.000 1.367 85 A CA 1.216 53.248 52.037 -0.008 0.000 0.824 85 A CB 0.048 19.043 19.000 -0.008 0.000 1.214 85 A HN 1.383 nan 8.150 nan 0.000 0.514 86 E N -1.174 119.021 120.200 -0.007 0.000 3.850 86 E HA 0.095 4.445 4.350 -0.000 0.000 0.168 86 E C -1.516 175.080 176.600 -0.006 0.000 1.035 86 E CA -0.249 56.147 56.400 -0.007 0.000 1.528 86 E CB -0.257 29.439 29.700 -0.005 0.000 1.154 86 E HN 0.637 nan 8.360 nan 0.000 0.383 87 D N 2.712 123.108 120.400 -0.006 0.000 2.426 87 D HA 0.054 4.694 4.640 -0.000 0.000 0.261 87 D C -2.038 174.259 176.300 -0.005 0.000 1.245 87 D CA -0.496 53.501 54.000 -0.005 0.000 0.917 87 D CB 0.885 41.681 40.800 -0.006 0.000 1.123 87 D HN 0.230 nan 8.370 nan 0.000 0.508 88 P HA 0.063 nan 4.420 nan 0.000 0.300 88 P C 0.222 177.520 177.300 -0.003 0.000 1.294 88 P CA -0.172 62.927 63.100 -0.003 0.000 0.757 88 P CB 0.356 32.055 31.700 -0.001 0.000 1.377 89 E N -3.497 116.702 120.200 -0.002 0.000 3.801 89 E HA -0.186 4.164 4.350 -0.000 0.000 0.319 89 E C -1.210 175.389 176.600 -0.002 0.000 0.784 89 E CA 0.621 57.020 56.400 -0.001 0.000 1.183 89 E CB -1.564 28.135 29.700 -0.002 0.000 1.601 89 E HN 0.119 nan 8.360 nan 0.000 0.441 90 L N -0.020 121.201 121.223 -0.003 0.000 2.438 90 L HA 0.533 4.873 4.340 -0.000 0.000 0.270 90 L C -2.364 174.504 176.870 -0.004 0.000 0.972 90 L CA -1.900 52.938 54.840 -0.004 0.000 0.831 90 L CB 1.870 43.925 42.059 -0.006 0.000 1.273 90 L HN -0.187 nan 8.230 nan 0.000 0.405 91 P HA 0.039 nan 4.420 nan 0.000 0.267 91 P C -1.272 176.026 177.300 -0.004 0.000 1.201 91 P CA 0.115 63.213 63.100 -0.002 0.000 0.775 91 P CB 0.447 32.146 31.700 -0.002 0.000 0.854 92 D N 1.216 121.614 120.400 -0.002 0.000 2.233 92 D HA 0.319 4.958 4.640 -0.000 0.000 0.240 92 D C -0.717 175.581 176.300 -0.004 0.000 1.074 92 D CA -0.029 53.969 54.000 -0.004 0.000 0.838 92 D CB 1.472 42.271 40.800 -0.002 0.000 1.124 92 D HN -0.037 nan 8.370 nan 0.000 0.475 93 V N 1.490 121.401 119.914 -0.006 0.000 2.531 93 V HA 0.245 4.365 4.120 -0.000 0.000 0.301 93 V C 0.147 176.239 176.094 -0.003 0.000 1.034 93 V CA -0.751 61.546 62.300 -0.006 0.000 0.865 93 V CB 1.973 33.791 31.823 -0.009 0.000 0.995 93 V HN 0.440 nan 8.190 nan 0.000 0.424 94 S N 5.157 120.856 115.700 -0.002 0.000 2.452 94 S HA 0.636 5.106 4.470 -0.000 0.000 0.284 94 S C -0.434 174.175 174.600 0.015 0.000 1.171 94 S CA -0.462 57.742 58.200 0.006 0.000 1.064 94 S CB 0.155 63.355 63.200 0.001 0.000 0.967 94 S HN 0.551 nan 8.310 nan 0.000 0.484 95 I N 5.806 126.408 120.570 0.053 0.000 2.330 95 I HA 0.341 4.511 4.170 -0.000 0.000 0.286 95 I C -0.632 175.604 176.117 0.199 0.000 1.025 95 I CA -0.586 60.787 61.300 0.122 0.000 1.197 95 I CB 1.008 39.097 38.000 0.150 0.000 1.358 95 I HN 0.470 nan 8.210 nan 0.000 0.467 96 I N 5.039 125.635 120.570 0.043 0.000 2.428 96 I HA 0.267 4.436 4.170 -0.000 0.000 0.296 96 I C 0.288 176.209 176.117 -0.327 0.000 0.985 96 I CA 0.124 61.368 61.300 -0.092 0.000 1.260 96 I CB 1.870 39.795 38.000 -0.126 0.000 1.389 96 I HN 0.381 nan 8.210 nan 0.000 0.484 97 S N 3.267 118.609 115.700 -0.596 0.000 2.552 97 S HA 0.393 4.863 4.470 -0.000 0.000 0.314 97 S C 0.545 174.723 174.600 -0.703 0.000 1.099 97 S CA -0.388 57.286 58.200 -0.876 0.000 1.070 97 S CB 0.909 63.130 63.200 -1.630 0.000 0.998 97 S HN 0.709 nan 8.310 nan 0.000 0.474 98 T N 3.571 117.736 114.554 -0.649 0.000 3.081 98 T HA 0.342 4.692 4.350 -0.000 0.000 0.250 98 T C 1.276 175.610 174.700 -0.611 0.000 1.100 98 T CA 0.816 62.409 62.100 -0.846 0.000 1.038 98 T CB 0.162 68.677 68.868 -0.588 0.000 0.962 98 T HN 1.046 nan 8.240 nan 0.000 0.516 99 G N 0.184 108.709 108.800 -0.457 0.000 3.509 99 G HA2 0.081 4.041 3.960 -0.000 0.000 0.220 99 G HA3 0.081 4.041 3.960 -0.000 0.000 0.220 99 G C 0.401 175.166 174.900 -0.225 0.000 0.951 99 G CA -0.242 44.673 45.100 -0.308 0.000 0.844 99 G HN 0.629 nan 8.290 nan 0.000 0.568 100 G N 0.626 109.291 108.800 -0.226 0.000 2.403 100 G HA2 0.497 4.457 3.960 -0.000 0.000 0.259 100 G HA3 0.497 4.457 3.960 -0.000 0.000 0.259 100 G C -0.195 174.652 174.900 -0.088 0.000 1.244 100 G CA 0.548 45.595 45.100 -0.087 0.000 0.849 100 G HN 0.405 nan 8.290 nan 0.000 0.532 101 T N 1.021 115.590 114.554 0.026 0.000 2.788 101 T HA 0.348 4.698 4.350 -0.000 0.000 0.296 101 T C 0.633 175.442 174.700 0.182 0.000 1.009 101 T CA -0.439 61.740 62.100 0.132 0.000 0.949 101 T CB 1.388 70.301 68.868 0.075 0.000 0.946 101 T HN 0.867 nan 8.240 nan 0.000 0.453 102 V N 0.269 120.368 119.914 0.309 0.000 2.852 102 V HA 0.888 5.007 4.120 -0.000 0.000 0.359 102 V C 0.037 176.179 176.094 0.080 0.000 1.244 102 V CA -0.557 61.853 62.300 0.184 0.000 1.371 102 V CB -1.158 30.785 31.823 0.200 0.000 1.491 102 V HN 1.150 nan 8.190 nan 0.000 0.603 103 A N 0.405 123.262 122.820 0.062 0.000 2.611 103 A HA 0.713 5.033 4.320 -0.000 0.000 0.302 103 A C -0.346 177.250 177.584 0.020 0.000 0.947 103 A CA 0.139 52.176 52.037 0.001 0.000 0.697 103 A CB 0.244 19.188 19.000 -0.093 0.000 1.247 103 A HN 2.070 nan 8.150 nan 0.000 0.403 104 S N -0.091 115.620 115.700 0.018 0.000 2.683 104 S HA 0.871 5.341 4.470 -0.000 0.000 0.269 104 S C -1.221 173.403 174.600 0.041 0.000 1.165 104 S CA -0.409 57.812 58.200 0.034 0.000 0.840 104 S CB 0.608 63.833 63.200 0.041 0.000 1.169 104 S HN 1.584 nan 8.310 nan 0.000 0.490 105 I N 0.651 121.256 120.570 0.058 0.000 2.686 105 I HA 0.518 4.688 4.170 -0.000 0.000 0.295 105 I C -1.209 174.959 176.117 0.085 0.000 1.114 105 I CA -0.904 60.441 61.300 0.074 0.000 1.038 105 I CB 2.031 40.071 38.000 0.067 0.000 1.238 105 I HN 0.606 nan 8.210 nan 0.000 0.420 106 I N 3.304 123.943 120.570 0.114 0.000 2.493 106 I HA 0.281 4.451 4.170 -0.000 0.000 0.298 106 I C -0.729 175.465 176.117 0.128 0.000 0.998 106 I CA -0.460 60.879 61.300 0.065 0.000 1.137 106 I CB 1.808 39.785 38.000 -0.038 0.000 1.310 106 I HN 0.484 nan 8.210 nan 0.000 0.445 107 D N 4.803 125.229 120.400 0.043 0.000 2.467 107 D HA 0.167 4.807 4.640 -0.000 0.000 0.220 107 D C 0.043 176.376 176.300 0.054 0.000 1.103 107 D CA -0.279 53.770 54.000 0.082 0.000 0.886 107 D CB 0.442 41.260 40.800 0.030 0.000 1.025 107 D HN 0.265 nan 8.370 nan 0.000 0.514 108 Y N 2.369 122.677 120.300 0.012 0.000 2.542 108 Y HA 0.067 4.617 4.550 -0.000 0.000 0.326 108 Y C 1.760 177.669 175.900 0.015 0.000 1.218 108 Y CA 0.182 58.290 58.100 0.013 0.000 1.277 108 Y CB 0.148 38.616 38.460 0.014 0.000 1.064 108 Y HN 0.232 nan 8.280 nan 0.000 0.499 109 R N -1.698 118.869 120.500 0.111 0.000 2.365 109 R HA 0.201 4.541 4.340 -0.000 0.000 0.223 109 R C 0.870 177.192 176.300 0.037 0.000 0.899 109 R CA 0.622 56.766 56.100 0.072 0.000 1.059 109 R CB 0.271 30.605 30.300 0.057 0.000 1.086 109 R HN 0.228 nan 8.270 nan 0.000 0.522 110 T N -2.315 112.245 114.554 0.010 0.000 3.010 110 T HA 0.187 4.537 4.350 -0.000 0.000 0.253 110 T C 1.069 175.747 174.700 -0.037 0.000 0.939 110 T CA 0.636 62.730 62.100 -0.009 0.000 0.910 110 T CB 1.204 70.063 68.868 -0.016 0.000 1.226 110 T HN 0.318 nan 8.240 nan 0.000 0.508 111 G N 1.856 110.604 108.800 -0.087 0.000 2.195 111 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.246 111 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.246 111 G C 0.220 175.034 174.900 -0.142 0.000 0.984 111 G CA -0.057 44.955 45.100 -0.147 0.000 0.633 111 G HN 0.959 nan 8.290 nan 0.000 0.525 112 A N 0.095 122.861 122.820 -0.089 0.000 2.309 112 A HA 0.782 5.102 4.320 -0.000 0.000 0.298 112 A C 0.270 177.838 177.584 -0.027 0.000 1.165 112 A CA -0.038 51.974 52.037 -0.042 0.000 0.821 112 A CB 1.467 20.469 19.000 0.004 0.000 1.102 112 A HN 1.105 nan 8.150 nan 0.000 0.500 113 V N 2.624 122.535 119.914 -0.005 0.000 2.481 113 V HA 0.367 4.487 4.120 -0.000 0.000 0.286 113 V C -0.341 175.820 176.094 0.112 0.000 1.042 113 V CA -0.254 62.056 62.300 0.017 0.000 0.928 113 V CB 1.174 32.983 31.823 -0.023 0.000 0.986 113 V HN 0.959 nan 8.190 nan 0.000 0.462 114 H N 4.161 123.224 119.070 -0.011 0.000 2.667 114 H HA 0.516 5.072 4.556 -0.000 0.000 0.353 114 H C -2.375 172.964 175.328 0.018 0.000 1.072 114 H CA -1.304 54.745 56.048 0.002 0.000 1.214 114 H CB 2.212 31.977 29.762 0.004 0.000 1.600 114 H HN 0.467 nan 8.280 nan 0.000 0.527 115 P HA 0.176 nan 4.420 nan 0.000 0.276 115 P C -1.416 175.926 177.300 0.070 0.000 1.337 115 P CA 0.517 63.611 63.100 -0.009 0.000 0.958 115 P CB 0.464 32.123 31.700 -0.070 0.000 1.078 116 A N -0.707 122.175 122.820 0.104 0.000 2.104 116 A HA 0.397 4.716 4.320 -0.000 0.000 0.294 116 A C -1.513 176.142 177.584 0.118 0.000 0.988 116 A CA -0.333 51.761 52.037 0.095 0.000 0.992 116 A CB -0.714 18.315 19.000 0.048 0.000 1.198 116 A HN 0.321 nan 8.150 nan 0.000 0.345 117 F N 2.427 122.371 119.950 -0.010 0.000 2.622 117 F HA 0.486 5.013 4.527 -0.000 0.000 0.338 117 F C 0.179 175.969 175.800 -0.016 0.000 1.334 117 F CA 0.307 58.295 58.000 -0.020 0.000 1.179 117 F CB 1.328 40.306 39.000 -0.037 0.000 1.471 117 F HN 0.440 nan 8.300 nan 0.000 0.576 118 T N 1.133 115.647 114.554 -0.067 0.000 2.856 118 T HA 0.431 4.781 4.350 -0.000 0.000 0.283 118 T C 1.116 175.755 174.700 -0.102 0.000 1.008 118 T CA -0.056 62.025 62.100 -0.032 0.000 0.997 118 T CB 1.936 70.799 68.868 -0.009 0.000 0.992 118 T HN 0.356 nan 8.240 nan 0.000 0.454 119 A N 1.358 124.145 122.820 -0.055 0.000 2.093 119 A HA -0.166 4.154 4.320 -0.000 0.000 0.222 119 A C 1.883 179.423 177.584 -0.073 0.000 1.162 119 A CA 1.854 53.851 52.037 -0.066 0.000 0.655 119 A CB -0.332 18.651 19.000 -0.029 0.000 0.805 119 A HN 0.885 nan 8.150 nan 0.000 0.461 120 D N -1.381 118.984 120.400 -0.060 0.000 2.394 120 D HA -0.052 4.588 4.640 -0.000 0.000 0.226 120 D C 0.956 177.217 176.300 -0.064 0.000 0.990 120 D CA 0.640 54.610 54.000 -0.051 0.000 0.902 120 D CB 0.096 40.878 40.800 -0.029 0.000 1.038 120 D HN 0.285 nan 8.370 nan 0.000 0.499 121 D N 1.003 121.359 120.400 -0.072 0.000 2.106 121 D HA -0.150 4.490 4.640 -0.000 0.000 0.191 121 D C 2.297 178.530 176.300 -0.113 0.000 0.997 121 D CA 0.765 54.720 54.000 -0.075 0.000 0.834 121 D CB -0.399 40.358 40.800 -0.072 0.000 0.956 121 D HN 0.231 nan 8.370 nan 0.000 0.448 122 L N -0.181 120.928 121.223 -0.189 0.000 2.043 122 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 122 L C 2.299 179.094 176.870 -0.125 0.000 1.075 122 L CA 0.528 55.239 54.840 -0.215 0.000 0.752 122 L CB -0.379 41.491 42.059 -0.316 0.000 0.891 122 L HN 0.110 nan 8.230 nan 0.000 0.432 123 L N -0.369 120.793 121.223 -0.101 0.000 2.042 123 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 123 L C 2.764 179.605 176.870 -0.049 0.000 1.076 123 L CA 1.676 56.476 54.840 -0.066 0.000 0.749 123 L CB -0.892 41.135 42.059 -0.053 0.000 0.893 123 L HN 0.168 nan 8.230 nan 0.000 0.432 124 R N -1.123 119.349 120.500 -0.047 0.000 2.081 124 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 124 R C 1.917 178.200 176.300 -0.029 0.000 1.131 124 R CA 1.470 57.551 56.100 -0.032 0.000 0.960 124 R CB -0.393 29.892 30.300 -0.025 0.000 0.856 124 R HN 0.390 nan 8.270 nan 0.000 0.436 125 A N 0.080 122.877 122.820 -0.038 0.000 2.178 125 A HA 0.058 4.378 4.320 -0.000 0.000 0.211 125 A C 0.613 178.179 177.584 -0.030 0.000 1.157 125 A CA 0.351 52.370 52.037 -0.029 0.000 0.780 125 A CB 0.303 19.284 19.000 -0.032 0.000 0.828 125 A HN 0.191 nan 8.150 nan 0.000 0.476 126 N N -0.638 118.037 118.700 -0.041 0.000 2.664 126 N HA 0.162 4.902 4.740 -0.000 0.000 0.287 126 N C -2.525 172.964 175.510 -0.035 0.000 1.869 126 N CA -0.798 52.230 53.050 -0.036 0.000 0.832 126 N CB 1.062 39.522 38.487 -0.046 0.000 1.293 126 N HN 0.009 nan 8.380 nan 0.000 0.498 127 P HA -0.167 nan 4.420 nan 0.000 0.217 127 P C 0.976 178.262 177.300 -0.023 0.000 1.151 127 P CA 1.428 64.513 63.100 -0.025 0.000 0.849 127 P CB 0.472 32.160 31.700 -0.019 0.000 0.787 128 E N -0.669 119.518 120.200 -0.021 0.000 2.233 128 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 128 E C 1.898 178.485 176.600 -0.022 0.000 1.004 128 E CA 0.897 57.285 56.400 -0.019 0.000 0.819 128 E CB -1.036 28.653 29.700 -0.018 0.000 0.738 128 E HN 0.265 nan 8.360 nan 0.000 0.478 129 L N 0.030 121.237 121.223 -0.027 0.000 2.079 129 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 129 L C 2.152 179.007 176.870 -0.025 0.000 1.081 129 L CA 0.952 55.776 54.840 -0.028 0.000 0.752 129 L CB -0.529 41.507 42.059 -0.038 0.000 0.896 129 L HN 0.233 nan 8.230 nan 0.000 0.433 130 L N -0.381 120.828 121.223 -0.024 0.000 2.283 130 L HA -0.281 4.059 4.340 -0.000 0.000 0.217 130 L C 1.401 178.261 176.870 -0.017 0.000 1.104 130 L CA 1.083 55.910 54.840 -0.021 0.000 0.772 130 L CB -0.540 41.507 42.059 -0.019 0.000 0.899 130 L HN 0.366 nan 8.230 nan 0.000 0.439 131 D N -1.143 119.248 120.400 -0.016 0.000 2.398 131 D HA 0.168 4.808 4.640 -0.000 0.000 0.210 131 D C 1.970 178.262 176.300 -0.014 0.000 1.094 131 D CA 0.356 54.347 54.000 -0.014 0.000 0.839 131 D CB 0.694 41.486 40.800 -0.013 0.000 0.963 131 D HN 0.372 nan 8.370 nan 0.000 0.506 132 I N 0.358 120.918 120.570 -0.016 0.000 2.685 132 I HA 0.183 4.353 4.170 -0.000 0.000 0.251 132 I C 1.019 177.128 176.117 -0.014 0.000 1.102 132 I CA 0.314 61.605 61.300 -0.016 0.000 1.442 132 I CB 0.305 38.294 38.000 -0.018 0.000 1.194 132 I HN -0.135 nan 8.210 nan 0.000 0.448 133 A N -0.066 122.745 122.820 -0.015 0.000 2.564 133 A HA 0.441 4.761 4.320 -0.000 0.000 0.291 133 A C -1.355 176.220 177.584 -0.015 0.000 1.102 133 A CA -0.676 51.353 52.037 -0.013 0.000 0.660 133 A CB 0.758 19.751 19.000 -0.012 0.000 1.283 133 A HN 0.074 nan 8.150 nan 0.000 0.430 134 N N 1.050 119.743 118.700 -0.012 0.000 2.439 134 N HA 0.312 5.052 4.740 -0.000 0.000 0.243 134 N C -0.830 174.672 175.510 -0.014 0.000 1.088 134 N CA -0.046 52.996 53.050 -0.013 0.000 0.940 134 N CB 0.487 38.968 38.487 -0.009 0.000 1.180 134 N HN 0.473 nan 8.380 nan 0.000 0.505 135 I N 2.670 123.228 120.570 -0.020 0.000 2.648 135 I HA 0.010 4.180 4.170 -0.000 0.000 0.284 135 I C 0.779 176.886 176.117 -0.017 0.000 1.153 135 I CA 0.293 61.579 61.300 -0.024 0.000 1.426 135 I CB 0.189 38.164 38.000 -0.042 0.000 1.381 135 I HN 0.199 nan 8.210 nan 0.000 0.571 136 R N 4.731 125.227 120.500 -0.007 0.000 2.507 136 R HA 0.599 4.939 4.340 -0.000 0.000 0.298 136 R C -0.341 175.974 176.300 0.024 0.000 1.087 136 R CA -0.625 55.478 56.100 0.005 0.000 0.917 136 R CB 1.626 31.930 30.300 0.006 0.000 1.173 136 R HN 0.799 nan 8.270 nan 0.000 0.472 137 G N 3.084 111.904 108.800 0.035 0.000 3.418 137 G HA2 0.216 4.176 3.960 -0.000 0.000 0.325 137 G HA3 0.216 4.176 3.960 -0.000 0.000 0.325 137 G C -0.291 174.702 174.900 0.154 0.000 1.556 137 G CA -0.463 44.701 45.100 0.106 0.000 1.047 137 G HN 0.419 nan 8.290 nan 0.000 0.500 138 R N 1.503 122.073 120.500 0.116 0.000 2.745 138 R HA 0.685 5.025 4.340 -0.000 0.000 0.251 138 R C 0.302 176.657 176.300 0.092 0.000 1.257 138 R CA 0.107 56.260 56.100 0.088 0.000 1.102 138 R CB 0.700 31.027 30.300 0.046 0.000 1.151 138 R HN 0.475 nan 8.270 nan 0.000 0.571 139 A N 1.326 124.154 122.820 0.013 0.000 3.365 139 A HA 0.226 4.546 4.320 -0.000 0.000 0.258 139 A C 0.957 178.469 177.584 -0.119 0.000 0.964 139 A CA -0.092 51.881 52.037 -0.106 0.000 0.988 139 A CB -0.337 18.623 19.000 -0.066 0.000 1.193 139 A HN 0.742 nan 8.150 nan 0.000 0.508 140 V N -0.981 118.877 119.914 -0.094 0.000 2.308 140 V HA -0.345 3.775 4.120 -0.000 0.000 0.252 140 V C 0.958 177.166 176.094 0.190 0.000 1.066 140 V CA 2.631 64.958 62.300 0.045 0.000 1.104 140 V CB -1.896 29.939 31.823 0.020 0.000 0.786 140 V HN 1.475 nan 8.190 nan 0.000 0.473 141 F N -2.412 117.486 119.950 -0.086 0.000 3.215 141 F HA 0.744 5.271 4.527 -0.000 0.000 0.326 141 F C -0.664 175.046 175.800 -0.150 0.000 1.189 141 F CA -0.750 57.190 58.000 -0.100 0.000 0.905 141 F CB 1.270 40.216 39.000 -0.090 0.000 1.485 141 F HN 0.190 nan 8.300 nan 0.000 0.508 142 N N 0.838 119.550 118.700 0.020 0.000 2.571 142 N HA 0.538 5.278 4.740 -0.000 0.000 0.286 142 N C -2.211 173.229 175.510 -0.116 0.000 1.138 142 N CA -0.050 52.922 53.050 -0.129 0.000 0.859 142 N CB 1.774 40.197 38.487 -0.107 0.000 1.414 142 N HN 0.729 nan 8.380 nan 0.000 0.529 143 I N 3.102 123.567 120.570 -0.176 0.000 2.607 143 I HA 0.328 4.497 4.170 -0.000 0.000 0.290 143 I C 0.139 176.163 176.117 -0.154 0.000 1.129 143 I CA -0.629 60.557 61.300 -0.190 0.000 1.042 143 I CB 2.322 40.109 38.000 -0.354 0.000 1.242 143 I HN 0.242 nan 8.210 nan 0.000 0.421 144 L N 4.182 125.348 121.223 -0.094 0.000 2.513 144 L HA 0.055 4.395 4.340 -0.000 0.000 0.272 144 L C 1.701 178.563 176.870 -0.015 0.000 1.187 144 L CA 0.209 55.018 54.840 -0.052 0.000 0.895 144 L CB 0.657 42.700 42.059 -0.025 0.000 1.147 144 L HN 0.802 nan 8.230 nan 0.000 0.483 145 S N 1.641 117.350 115.700 0.015 0.000 2.428 145 S HA -0.214 4.256 4.470 -0.000 0.000 0.240 145 S C 1.581 176.265 174.600 0.142 0.000 1.036 145 S CA 1.922 60.199 58.200 0.129 0.000 1.009 145 S CB -0.017 63.331 63.200 0.248 0.000 0.803 145 S HN 0.740 nan 8.310 nan 0.000 0.486 146 E N 1.273 121.525 120.200 0.086 0.000 2.072 146 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 146 E C 1.330 177.965 176.600 0.058 0.000 0.985 146 E CA 1.173 57.613 56.400 0.067 0.000 0.801 146 E CB -0.360 29.365 29.700 0.041 0.000 0.750 146 E HN 0.666 nan 8.360 nan 0.000 0.452 147 N N -0.061 118.673 118.700 0.056 0.000 2.362 147 N HA 0.072 4.811 4.740 -0.000 0.000 0.204 147 N C -0.199 175.393 175.510 0.136 0.000 1.166 147 N CA -0.433 52.660 53.050 0.072 0.000 0.831 147 N CB 0.077 38.594 38.487 0.050 0.000 1.008 147 N HN 0.071 nan 8.380 nan 0.000 0.472 148 M N 2.275 121.964 119.600 0.148 0.000 2.248 148 M HA 0.067 4.547 4.480 -0.000 0.000 0.337 148 M C -0.011 176.378 176.300 0.149 0.000 1.121 148 M CA 0.166 55.615 55.300 0.249 0.000 1.155 148 M CB 0.300 33.082 32.600 0.304 0.000 1.514 148 M HN 0.102 nan 8.290 nan 0.000 0.452 149 K N 3.885 124.333 120.400 0.081 0.000 2.509 149 K HA 0.620 4.940 4.320 -0.000 0.000 0.266 149 K C -2.810 173.255 176.600 -0.892 0.000 0.987 149 K CA -1.623 54.443 56.287 -0.369 0.000 0.868 149 K CB 1.239 33.519 32.500 -0.368 0.000 1.421 149 K HN 0.226 nan 8.250 nan 0.000 0.444 150 P HA -0.255 nan 4.420 nan 0.000 0.217 150 P C 0.838 177.791 177.300 -0.577 0.000 1.151 150 P CA 1.368 63.617 63.100 -1.418 0.000 0.849 150 P CB 0.179 31.391 31.700 -0.814 0.000 0.787 151 E N -1.260 118.621 120.200 -0.531 0.000 2.153 151 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 151 E C 1.413 177.852 176.600 -0.268 0.000 0.988 151 E CA 1.054 57.219 56.400 -0.393 0.000 0.811 151 E CB -0.334 29.048 29.700 -0.530 0.000 0.746 151 E HN 0.400 nan 8.360 nan 0.000 0.466 152 Y N -1.720 118.510 120.300 -0.117 0.000 2.475 152 Y HA -0.117 4.433 4.550 -0.000 0.000 0.289 152 Y C 2.001 178.052 175.900 0.252 0.000 1.121 152 Y CA -0.337 57.763 58.100 -0.000 0.000 1.257 152 Y CB -0.054 38.447 38.460 0.068 0.000 1.026 152 Y HN 0.149 nan 8.280 nan 0.000 0.555 153 W N -0.128 121.332 121.300 0.267 0.000 2.355 153 W HA -0.173 4.487 4.660 -0.000 0.000 0.309 153 W C 2.186 178.843 176.519 0.231 0.000 1.206 153 W CA 0.754 58.254 57.345 0.258 0.000 1.284 153 W CB -1.280 28.293 29.460 0.188 0.000 1.145 153 W HN -0.111 nan 8.180 nan 0.000 0.502 154 V N 0.821 120.976 119.914 0.402 0.000 2.233 154 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 154 V C 2.404 178.636 176.094 0.229 0.000 1.050 154 V CA 2.188 64.650 62.300 0.271 0.000 1.010 154 V CB -0.992 30.932 31.823 0.168 0.000 0.637 154 V HN 0.012 nan 8.190 nan 0.000 0.444 155 E N 0.176 120.464 120.200 0.147 0.000 2.208 155 E HA -0.233 4.117 4.350 -0.000 0.000 0.202 155 E C 2.214 178.961 176.600 0.246 0.000 1.014 155 E CA 2.089 58.511 56.400 0.037 0.000 0.819 155 E CB -0.623 28.889 29.700 -0.313 0.000 0.735 155 E HN 0.675 nan 8.360 nan 0.000 0.469 156 T N 0.685 115.508 114.554 0.447 0.000 2.770 156 T HA 0.031 4.381 4.350 -0.000 0.000 0.258 156 T C 1.991 176.902 174.700 0.352 0.000 1.039 156 T CA 1.248 63.662 62.100 0.524 0.000 1.143 156 T CB -0.281 68.929 68.868 0.570 0.000 0.866 156 T HN 0.295 nan 8.240 nan 0.000 0.428 157 A N 2.476 125.494 122.820 0.331 0.000 1.927 157 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 157 A C 2.405 180.145 177.584 0.261 0.000 1.185 157 A CA 1.543 53.740 52.037 0.267 0.000 0.639 157 A CB -0.490 18.658 19.000 0.248 0.000 0.820 157 A HN 0.312 nan 8.150 nan 0.000 0.451 158 R N -0.846 119.809 120.500 0.258 0.000 2.062 158 R HA -0.039 4.300 4.340 -0.000 0.000 0.231 158 R C 2.604 179.056 176.300 0.254 0.000 1.136 158 R CA 1.303 57.566 56.100 0.272 0.000 0.948 158 R CB -1.062 29.360 30.300 0.203 0.000 0.845 158 R HN 0.522 nan 8.270 nan 0.000 0.430 159 A N 1.238 124.201 122.820 0.239 0.000 1.884 159 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 159 A C 2.529 180.192 177.584 0.133 0.000 1.197 159 A CA 2.250 54.405 52.037 0.197 0.000 0.637 159 A CB -0.895 18.270 19.000 0.276 0.000 0.827 159 A HN 0.128 nan 8.150 nan 0.000 0.450 160 V N -1.207 118.794 119.914 0.147 0.000 2.237 160 V HA -0.301 3.819 4.120 -0.000 0.000 0.245 160 V C 2.389 178.564 176.094 0.134 0.000 1.046 160 V CA 2.175 64.536 62.300 0.101 0.000 1.007 160 V CB -1.307 30.572 31.823 0.094 0.000 0.638 160 V HN 0.712 nan 8.190 nan 0.000 0.445 161 Y N 2.232 122.573 120.300 0.068 0.000 2.173 161 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 161 Y C 2.103 178.035 175.900 0.052 0.000 1.192 161 Y CA 1.532 59.670 58.100 0.063 0.000 1.176 161 Y CB -1.102 37.404 38.460 0.076 0.000 0.969 161 Y HN 0.164 nan 8.280 nan 0.000 0.519 162 G N 0.297 109.004 108.800 -0.154 0.000 2.666 162 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.215 162 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.215 162 G C 1.470 176.282 174.900 -0.147 0.000 1.294 162 G CA 0.971 45.926 45.100 -0.242 0.000 0.811 162 G HN 0.391 nan 8.290 nan 0.000 0.594 163 E N 0.309 120.476 120.200 -0.055 0.000 2.136 163 E HA -0.239 4.111 4.350 -0.000 0.000 0.208 163 E C 2.374 178.956 176.600 -0.030 0.000 1.035 163 E CA 1.454 57.835 56.400 -0.032 0.000 0.838 163 E CB -0.583 29.111 29.700 -0.010 0.000 0.748 163 E HN 0.463 nan 8.360 nan 0.000 0.459 164 I N 0.969 121.532 120.570 -0.011 0.000 2.567 164 I HA -0.200 3.970 4.170 -0.000 0.000 0.257 164 I C 2.093 178.210 176.117 -0.000 0.000 1.184 164 I CA 1.549 62.859 61.300 0.016 0.000 1.451 164 I CB -0.091 37.950 38.000 0.069 0.000 1.089 164 I HN -0.030 nan 8.210 nan 0.000 0.441 165 K N 0.051 120.406 120.400 -0.075 0.000 2.166 165 K HA -0.044 4.276 4.320 -0.000 0.000 0.201 165 K C 0.743 177.299 176.600 -0.072 0.000 1.052 165 K CA 0.906 57.133 56.287 -0.101 0.000 0.969 165 K CB 0.031 32.343 32.500 -0.314 0.000 0.761 165 K HN 0.217 nan 8.250 nan 0.000 0.459 166 D N 1.120 121.474 120.400 -0.076 0.000 2.395 166 D HA 0.103 4.743 4.640 -0.000 0.000 0.250 166 D C -0.206 176.080 176.300 -0.024 0.000 1.203 166 D CA 0.661 54.632 54.000 -0.048 0.000 0.872 166 D CB 0.030 40.802 40.800 -0.047 0.000 0.941 166 D HN 0.448 nan 8.370 nan 0.000 0.504 167 G N 0.635 109.426 108.800 -0.016 0.000 2.694 167 G HA2 0.081 4.041 3.960 -0.000 0.000 0.247 167 G HA3 0.081 4.041 3.960 -0.000 0.000 0.247 167 G C -0.186 174.713 174.900 -0.003 0.000 0.989 167 G CA -0.143 44.955 45.100 -0.004 0.000 1.252 167 G HN 0.547 nan 8.290 nan 0.000 0.483 168 A N 2.038 124.859 122.820 0.002 0.000 2.402 168 A HA 0.733 5.053 4.320 -0.000 0.000 0.291 168 A C 0.728 178.317 177.584 0.008 0.000 1.051 168 A CA 0.053 52.092 52.037 0.002 0.000 0.716 168 A CB 1.005 20.005 19.000 -0.001 0.000 1.223 168 A HN 0.327 nan 8.150 nan 0.000 0.425 169 D N 1.724 122.127 120.400 0.006 0.000 2.310 169 D HA 0.111 4.751 4.640 -0.000 0.000 0.212 169 D C 0.898 177.203 176.300 0.008 0.000 0.965 169 D CA 1.957 55.963 54.000 0.009 0.000 0.879 169 D CB 0.470 41.273 40.800 0.006 0.000 0.921 169 D HN 0.801 nan 8.370 nan 0.000 0.510 170 G N -0.701 108.101 108.800 0.003 0.000 2.632 170 G HA2 0.457 4.417 3.960 -0.000 0.000 0.292 170 G HA3 0.457 4.417 3.960 -0.000 0.000 0.292 170 G C -1.728 173.167 174.900 -0.009 0.000 1.465 170 G CA -0.524 44.575 45.100 -0.002 0.000 0.824 170 G HN -0.051 nan 8.290 nan 0.000 0.509 171 V N 0.313 120.215 119.914 -0.021 0.000 2.623 171 V HA 0.601 4.721 4.120 -0.000 0.000 0.304 171 V C -0.451 175.596 176.094 -0.078 0.000 1.054 171 V CA -0.783 61.493 62.300 -0.040 0.000 0.882 171 V CB 1.684 33.484 31.823 -0.039 0.000 1.002 171 V HN 0.674 nan 8.190 nan 0.000 0.424 172 V N 5.258 125.129 119.914 -0.073 0.000 2.384 172 V HA 0.450 4.570 4.120 -0.000 0.000 0.287 172 V C -0.177 175.830 176.094 -0.144 0.000 1.020 172 V CA -0.587 61.656 62.300 -0.095 0.000 0.850 172 V CB 1.964 33.773 31.823 -0.023 0.000 0.987 172 V HN 0.637 nan 8.190 nan 0.000 0.436 173 V N 4.532 124.254 119.914 -0.319 0.000 2.350 173 V HA 0.540 4.660 4.120 -0.000 0.000 0.276 173 V C 0.686 176.669 176.094 -0.185 0.000 1.028 173 V CA -0.518 61.556 62.300 -0.376 0.000 0.860 173 V CB 1.510 32.834 31.823 -0.832 0.000 0.990 173 V HN 0.949 nan 8.190 nan 0.000 0.453 174 A N 4.358 127.103 122.820 -0.125 0.000 2.666 174 A HA 0.443 4.763 4.320 -0.000 0.000 0.312 174 A C -0.110 177.451 177.584 -0.038 0.000 1.471 174 A CA -0.031 51.986 52.037 -0.034 0.000 1.134 174 A CB -0.611 18.356 19.000 -0.055 0.000 1.129 174 A HN 0.997 nan 8.150 nan 0.000 0.539 175 H N 1.197 120.281 119.070 0.022 0.000 2.615 175 H HA 0.615 5.171 4.556 -0.000 0.000 0.346 175 H C 0.877 176.266 175.328 0.101 0.000 1.200 175 H CA 0.095 56.196 56.048 0.087 0.000 1.264 175 H CB 1.459 31.393 29.762 0.288 0.000 1.699 175 H HN 0.658 nan 8.280 nan 0.000 0.567 176 G N 0.024 109.040 108.800 0.359 0.000 2.476 176 G HA2 0.161 4.121 3.960 -0.000 0.000 0.269 176 G HA3 0.161 4.121 3.960 -0.000 0.000 0.269 176 G C 0.924 176.102 174.900 0.464 0.000 1.195 176 G CA 0.087 45.377 45.100 0.318 0.000 0.843 176 G HN 0.814 nan 8.290 nan 0.000 0.545 177 T N 0.178 114.933 114.554 0.335 0.000 2.588 177 T HA -0.165 4.185 4.350 -0.000 0.000 0.261 177 T C 1.621 176.567 174.700 0.411 0.000 1.069 177 T CA 1.725 64.068 62.100 0.405 0.000 1.172 177 T CB -0.657 68.383 68.868 0.286 0.000 0.863 177 T HN 0.419 nan 8.240 nan 0.000 0.408 178 D N 0.997 121.563 120.400 0.277 0.000 2.973 178 D HA -0.185 4.455 4.640 -0.000 0.000 0.203 178 D C 1.874 178.418 176.300 0.407 0.000 1.096 178 D CA 2.487 56.646 54.000 0.265 0.000 0.876 178 D CB -0.655 40.258 40.800 0.189 0.000 0.979 178 D HN 0.563 nan 8.370 nan 0.000 0.495 179 T N -1.321 113.467 114.554 0.389 0.000 3.085 179 T HA 0.200 4.550 4.350 -0.000 0.000 0.264 179 T C 1.405 176.244 174.700 0.231 0.000 1.019 179 T CA -0.052 62.255 62.100 0.344 0.000 0.910 179 T CB -0.277 68.753 68.868 0.271 0.000 1.059 179 T HN 0.098 nan 8.240 nan 0.000 0.542 180 M N 1.410 121.130 119.600 0.200 0.000 2.113 180 M HA -0.236 4.243 4.480 -0.000 0.000 0.255 180 M C 2.273 178.409 176.300 -0.273 0.000 1.073 180 M CA 2.359 57.475 55.300 -0.307 0.000 1.091 180 M CB -0.311 32.225 32.600 -0.106 0.000 1.309 180 M HN 0.566 nan 8.290 nan 0.000 0.407 181 H N -1.668 117.359 119.070 -0.072 0.000 2.387 181 H HA -0.197 4.359 4.556 -0.000 0.000 0.299 181 H C 1.705 176.879 175.328 -0.257 0.000 1.099 181 H CA 1.860 57.800 56.048 -0.179 0.000 1.315 181 H CB -1.667 28.105 29.762 0.017 0.000 1.380 181 H HN 0.488 nan 8.280 nan 0.000 0.513 182 Y N 1.993 121.958 120.300 -0.558 0.000 2.114 182 Y HA -0.196 4.354 4.550 -0.000 0.000 0.284 182 Y C 3.104 178.641 175.900 -0.606 0.000 1.143 182 Y CA 2.117 59.963 58.100 -0.423 0.000 1.135 182 Y CB -0.603 37.795 38.460 -0.103 0.000 0.980 182 Y HN 0.221 nan 8.280 nan 0.000 0.499 183 T N -0.428 113.936 114.554 -0.318 0.000 2.652 183 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 183 T C 2.181 176.456 174.700 -0.708 0.000 1.039 183 T CA 2.023 63.847 62.100 -0.460 0.000 1.153 183 T CB -0.712 68.102 68.868 -0.090 0.000 0.863 183 T HN 0.540 nan 8.240 nan 0.000 0.428 184 S N 2.415 117.512 115.700 -1.004 0.000 2.374 184 S HA -0.170 4.300 4.470 -0.000 0.000 0.227 184 S C 2.413 176.609 174.600 -0.673 0.000 1.037 184 S CA 1.228 58.798 58.200 -1.051 0.000 1.024 184 S CB -0.923 61.733 63.200 -0.908 0.000 0.861 184 S HN 0.554 nan 8.310 nan 0.000 0.456 185 A N 2.716 125.141 122.820 -0.659 0.000 1.873 185 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 185 A C 2.623 179.674 177.584 -0.888 0.000 1.193 185 A CA 2.385 53.974 52.037 -0.747 0.000 0.629 185 A CB -1.684 16.935 19.000 -0.634 0.000 0.826 185 A HN 0.919 nan 8.150 nan 0.000 0.447 186 A N -0.433 121.926 122.820 -0.769 0.000 1.851 186 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 186 A C 2.051 179.423 177.584 -0.353 0.000 1.195 186 A CA 1.723 53.411 52.037 -0.582 0.000 0.622 186 A CB -0.692 17.863 19.000 -0.742 0.000 0.831 186 A HN 0.429 nan 8.150 nan 0.000 0.444 187 L N 0.268 121.344 121.223 -0.245 0.000 2.261 187 L HA -0.143 4.196 4.340 -0.000 0.000 0.216 187 L C 2.646 179.416 176.870 -0.166 0.000 1.114 187 L CA 1.897 56.700 54.840 -0.063 0.000 0.777 187 L CB -1.382 40.773 42.059 0.160 0.000 0.910 187 L HN 0.395 nan 8.230 nan 0.000 0.440 188 S N -0.329 115.144 115.700 -0.378 0.000 2.355 188 S HA -0.109 4.361 4.470 -0.000 0.000 0.222 188 S C 1.854 176.222 174.600 -0.386 0.000 1.031 188 S CA 1.185 59.132 58.200 -0.421 0.000 0.993 188 S CB -0.255 62.541 63.200 -0.673 0.000 0.859 188 S HN 0.358 nan 8.310 nan 0.000 0.453 189 F N 0.939 120.575 119.950 -0.524 0.000 2.163 189 F HA 0.031 4.558 4.527 -0.000 0.000 0.297 189 F C 2.504 177.755 175.800 -0.916 0.000 1.094 189 F CA 0.550 57.952 58.000 -0.997 0.000 1.290 189 F CB -0.310 37.847 39.000 -1.405 0.000 1.017 189 F HN 0.124 nan 8.300 nan 0.000 0.483 190 M N -0.232 119.197 119.600 -0.286 0.000 2.254 190 M HA -0.015 4.464 4.480 -0.000 0.000 0.265 190 M C 0.361 176.706 176.300 0.075 0.000 1.066 190 M CA 1.111 56.451 55.300 0.068 0.000 1.123 190 M CB 0.085 32.781 32.600 0.160 0.000 1.388 190 M HN 0.021 nan 8.290 nan 0.000 0.425 191 L N 0.734 121.961 121.223 0.008 0.000 2.334 191 L HA 0.456 4.796 4.340 -0.000 0.000 0.273 191 L C -0.407 176.470 176.870 0.012 0.000 1.013 191 L CA -0.967 53.889 54.840 0.027 0.000 0.816 191 L CB 1.372 43.465 42.059 0.055 0.000 1.278 191 L HN 0.072 nan 8.230 nan 0.000 0.431 192 R N 1.650 122.166 120.500 0.028 0.000 2.599 192 R HA 0.690 5.030 4.340 -0.000 0.000 0.295 192 R C -1.174 175.152 176.300 0.044 0.000 0.963 192 R CA -0.728 55.390 56.100 0.030 0.000 0.883 192 R CB 1.764 32.085 30.300 0.035 0.000 1.171 192 R HN 0.523 nan 8.270 nan 0.000 0.450 193 T N 1.980 116.560 114.554 0.045 0.000 2.916 193 T HA 0.385 4.735 4.350 -0.000 0.000 0.305 193 T C -2.133 172.598 174.700 0.052 0.000 1.119 193 T CA -1.197 60.937 62.100 0.056 0.000 1.008 193 T CB 2.799 71.700 68.868 0.055 0.000 1.129 193 T HN 0.277 nan 8.240 nan 0.000 0.480 194 P HA 0.131 nan 4.420 nan 0.000 0.238 194 P C 0.337 177.665 177.300 0.047 0.000 1.183 194 P CA 0.317 63.446 63.100 0.049 0.000 0.813 194 P CB 0.322 32.052 31.700 0.049 0.000 0.944 195 V N -4.740 115.201 119.914 0.045 0.000 3.074 195 V HA 0.715 4.835 4.120 -0.000 0.000 0.314 195 V C -3.179 172.935 176.094 0.032 0.000 1.117 195 V CA -3.317 59.005 62.300 0.037 0.000 1.014 195 V CB 1.373 33.214 31.823 0.029 0.000 1.057 195 V HN -0.305 nan 8.190 nan 0.000 0.438 196 P HA 0.392 nan 4.420 nan 0.000 0.272 196 P C -0.961 176.341 177.300 0.004 0.000 1.223 196 P CA -0.094 63.011 63.100 0.009 0.000 0.784 196 P CB 0.926 32.622 31.700 -0.006 0.000 0.923 197 V N 3.396 123.314 119.914 0.006 0.000 2.439 197 V HA 0.218 4.338 4.120 -0.000 0.000 0.277 197 V C -0.313 175.782 176.094 0.001 0.000 1.008 197 V CA -0.598 61.694 62.300 -0.013 0.000 0.846 197 V CB 1.663 33.500 31.823 0.024 0.000 1.031 197 V HN 0.379 nan 8.190 nan 0.000 0.441 198 V N 1.973 121.858 119.914 -0.047 0.000 2.384 198 V HA 0.692 4.812 4.120 -0.000 0.000 0.287 198 V C -0.507 175.555 176.094 -0.054 0.000 1.020 198 V CA -0.593 61.709 62.300 0.004 0.000 0.850 198 V CB 1.180 33.002 31.823 -0.002 0.000 0.987 198 V HN 0.439 nan 8.190 nan 0.000 0.436 199 F N 3.183 123.100 119.950 -0.055 0.000 2.382 199 F HA 0.732 5.258 4.527 -0.000 0.000 0.331 199 F C 0.994 176.762 175.800 -0.053 0.000 1.121 199 F CA 0.665 58.633 58.000 -0.053 0.000 1.183 199 F CB 1.887 40.814 39.000 -0.122 0.000 1.207 199 F HN 0.837 nan 8.300 nan 0.000 0.555 200 T N 0.101 114.748 114.554 0.155 0.000 2.693 200 T HA 0.722 5.072 4.350 -0.000 0.000 0.304 200 T C -0.712 174.080 174.700 0.153 0.000 1.471 200 T CA -0.058 62.111 62.100 0.116 0.000 0.993 200 T CB 1.415 70.338 68.868 0.092 0.000 1.554 200 T HN 1.014 nan 8.240 nan 0.000 0.496 201 G N 0.055 108.948 108.800 0.154 0.000 2.325 201 G HA2 0.687 4.647 3.960 -0.000 0.000 0.295 201 G HA3 0.687 4.647 3.960 -0.000 0.000 0.295 201 G C -1.776 173.217 174.900 0.155 0.000 1.274 201 G CA 0.146 45.346 45.100 0.167 0.000 0.857 201 G HN 1.226 nan 8.290 nan 0.000 0.499 202 A N -1.101 121.801 122.820 0.137 0.000 2.449 202 A HA 0.721 5.041 4.320 -0.000 0.000 0.302 202 A C 0.386 178.022 177.584 0.086 0.000 1.048 202 A CA -0.269 51.827 52.037 0.098 0.000 0.708 202 A CB 1.970 21.012 19.000 0.069 0.000 1.274 202 A HN 0.427 nan 8.150 nan 0.000 0.410 203 Q N 0.363 120.195 119.800 0.054 0.000 2.269 203 Q HA 0.045 4.385 4.340 -0.000 0.000 0.201 203 Q C 0.002 176.011 176.000 0.015 0.000 0.946 203 Q CA 0.953 56.779 55.803 0.039 0.000 0.877 203 Q CB 0.194 28.941 28.738 0.015 0.000 0.963 203 Q HN 0.586 nan 8.270 nan 0.000 0.472 204 R N 1.235 121.734 120.500 -0.002 0.000 2.295 204 R HA 0.319 4.659 4.340 -0.000 0.000 0.324 204 R C -0.211 176.094 176.300 0.009 0.000 0.968 204 R CA -0.277 55.820 56.100 -0.005 0.000 0.837 204 R CB 1.285 31.569 30.300 -0.025 0.000 1.133 204 R HN -0.005 nan 8.270 nan 0.000 0.450 205 S N 1.254 116.960 115.700 0.010 0.000 2.593 205 S HA -0.144 4.326 4.470 -0.000 0.000 0.303 205 S C 1.585 176.196 174.600 0.019 0.000 1.267 205 S CA 0.496 58.704 58.200 0.013 0.000 1.047 205 S CB 0.374 63.574 63.200 0.001 0.000 0.777 205 S HN 0.743 nan 8.310 nan 0.000 0.498 206 S N 1.455 117.172 115.700 0.029 0.000 2.423 206 S HA -0.176 4.294 4.470 -0.000 0.000 0.231 206 S C 1.456 176.073 174.600 0.029 0.000 1.014 206 S CA 0.984 59.205 58.200 0.034 0.000 0.965 206 S CB -0.444 62.784 63.200 0.047 0.000 0.785 206 S HN 0.898 nan 8.310 nan 0.000 0.495 207 D N 1.607 122.020 120.400 0.022 0.000 2.263 207 D HA -0.171 4.469 4.640 -0.000 0.000 0.208 207 D C 0.656 176.973 176.300 0.029 0.000 0.971 207 D CA 0.470 54.484 54.000 0.023 0.000 0.867 207 D CB -0.330 40.471 40.800 0.002 0.000 0.929 207 D HN 0.427 nan 8.370 nan 0.000 0.492 208 R N 0.838 121.351 120.500 0.022 0.000 2.539 208 R HA 0.226 4.566 4.340 -0.000 0.000 0.275 208 R C -1.616 174.703 176.300 0.031 0.000 1.077 208 R CA -1.201 54.913 56.100 0.024 0.000 1.097 208 R CB 0.367 30.674 30.300 0.012 0.000 1.018 208 R HN 0.003 nan 8.270 nan 0.000 0.483 209 P HA -0.073 nan 4.420 nan 0.000 0.229 209 P C 0.482 177.798 177.300 0.025 0.000 1.160 209 P CA 0.822 63.942 63.100 0.033 0.000 0.777 209 P CB 0.381 32.102 31.700 0.035 0.000 0.814 210 S N -2.814 112.898 115.700 0.019 0.000 2.556 210 S HA 0.115 4.585 4.470 -0.000 0.000 0.216 210 S C 0.997 175.601 174.600 0.005 0.000 0.970 210 S CA -0.342 57.867 58.200 0.013 0.000 0.912 210 S CB -0.858 62.346 63.200 0.006 0.000 0.790 210 S HN 0.018 nan 8.310 nan 0.000 0.504 211 S N 2.677 118.382 115.700 0.008 0.000 2.571 211 S HA -0.045 4.425 4.470 -0.000 0.000 0.298 211 S C 0.934 175.537 174.600 0.004 0.000 1.280 211 S CA 0.294 58.495 58.200 0.002 0.000 1.052 211 S CB 0.206 63.418 63.200 0.019 0.000 0.799 211 S HN 0.565 nan 8.310 nan 0.000 0.501 212 D N 4.094 124.469 120.400 -0.042 0.000 2.347 212 D HA 0.012 4.652 4.640 -0.000 0.000 0.215 212 D C 1.948 178.310 176.300 0.104 0.000 0.976 212 D CA 0.938 54.912 54.000 -0.044 0.000 0.884 212 D CB -0.881 39.690 40.800 -0.382 0.000 0.915 212 D HN 0.573 nan 8.370 nan 0.000 0.526 213 A N 1.087 123.949 122.820 0.069 0.000 1.958 213 A HA -0.285 4.035 4.320 -0.000 0.000 0.221 213 A C 2.363 179.995 177.584 0.081 0.000 1.178 213 A CA 2.312 54.399 52.037 0.083 0.000 0.642 213 A CB -0.900 18.140 19.000 0.067 0.000 0.816 213 A HN 0.313 nan 8.150 nan 0.000 0.453 214 S N -0.909 114.834 115.700 0.071 0.000 2.344 214 S HA -0.150 4.320 4.470 -0.000 0.000 0.217 214 S C 1.933 176.566 174.600 0.055 0.000 1.033 214 S CA 1.611 59.841 58.200 0.051 0.000 1.017 214 S CB -0.456 62.769 63.200 0.042 0.000 0.941 214 S HN 0.597 nan 8.310 nan 0.000 0.430 215 L N 2.558 123.833 121.223 0.087 0.000 2.131 215 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 215 L C 1.695 178.586 176.870 0.035 0.000 1.092 215 L CA 1.893 56.757 54.840 0.040 0.000 0.759 215 L CB -1.341 40.722 42.059 0.007 0.000 0.903 215 L HN 0.258 nan 8.230 nan 0.000 0.435 216 N N -0.402 118.366 118.700 0.112 0.000 2.142 216 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 216 N C 1.882 177.430 175.510 0.063 0.000 1.023 216 N CA 1.422 54.535 53.050 0.106 0.000 0.852 216 N CB -0.378 38.211 38.487 0.170 0.000 0.998 216 N HN 0.285 nan 8.380 nan 0.000 0.424 217 I N 1.949 122.554 120.570 0.058 0.000 2.252 217 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 217 I C 1.741 177.864 176.117 0.010 0.000 1.102 217 I CA 1.329 62.652 61.300 0.038 0.000 1.385 217 I CB -0.669 37.346 38.000 0.025 0.000 1.064 217 I HN 0.361 nan 8.210 nan 0.000 0.414 218 Q N -1.420 118.381 119.800 0.001 0.000 2.415 218 Q HA -0.053 4.287 4.340 -0.000 0.000 0.206 218 Q C 1.945 177.934 176.000 -0.018 0.000 0.946 218 Q CA 0.512 56.307 55.803 -0.013 0.000 0.951 218 Q CB -0.180 28.548 28.738 -0.017 0.000 1.026 218 Q HN 0.389 nan 8.270 nan 0.000 0.510 219 C N -0.478 118.812 119.300 -0.016 0.000 2.563 219 C HA 0.173 4.632 4.460 -0.000 0.000 0.346 219 C C 2.603 177.580 174.990 -0.023 0.000 1.334 219 C CA 0.474 59.474 59.018 -0.030 0.000 1.938 219 C CB -0.013 27.700 27.740 -0.045 0.000 2.445 219 C HN 0.610 nan 8.230 nan 0.000 0.541 220 S N 1.124 116.820 115.700 -0.007 0.000 2.356 220 S HA -0.146 4.324 4.470 -0.000 0.000 0.223 220 S C 1.868 176.460 174.600 -0.013 0.000 1.032 220 S CA 1.520 59.718 58.200 -0.004 0.000 1.005 220 S CB -0.384 62.825 63.200 0.015 0.000 0.867 220 S HN 0.444 nan 8.310 nan 0.000 0.449 221 V N 2.210 122.117 119.914 -0.011 0.000 2.343 221 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 221 V C 2.725 178.808 176.094 -0.019 0.000 1.051 221 V CA 1.503 63.794 62.300 -0.015 0.000 1.036 221 V CB -0.613 31.200 31.823 -0.017 0.000 0.654 221 V HN 0.280 nan 8.190 nan 0.000 0.451 222 R N 0.515 121.002 120.500 -0.022 0.000 2.082 222 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 222 R C 2.372 178.655 176.300 -0.029 0.000 1.136 222 R CA 2.139 58.224 56.100 -0.025 0.000 0.935 222 R CB -1.173 29.108 30.300 -0.030 0.000 0.842 222 R HN 0.495 nan 8.270 nan 0.000 0.430 223 A N 0.627 123.427 122.820 -0.034 0.000 1.892 223 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 223 A C 2.318 179.882 177.584 -0.034 0.000 1.188 223 A CA 2.337 54.349 52.037 -0.042 0.000 0.631 223 A CB -0.912 18.060 19.000 -0.046 0.000 0.822 223 A HN 0.462 nan 8.150 nan 0.000 0.447 224 A N -0.692 122.112 122.820 -0.026 0.000 2.194 224 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 224 A C 2.244 179.820 177.584 -0.014 0.000 1.162 224 A CA 2.456 54.481 52.037 -0.020 0.000 0.674 224 A CB -1.079 17.909 19.000 -0.019 0.000 0.789 224 A HN 0.894 nan 8.150 nan 0.000 0.470 225 T N -2.536 112.008 114.554 -0.015 0.000 3.037 225 T HA 0.124 4.474 4.350 -0.000 0.000 0.252 225 T C 1.275 175.971 174.700 -0.007 0.000 1.073 225 T CA 0.815 62.910 62.100 -0.009 0.000 1.091 225 T CB -0.819 68.043 68.868 -0.010 0.000 0.935 225 T HN 0.668 nan 8.240 nan 0.000 0.488 226 S N 1.246 116.935 115.700 -0.019 0.000 2.589 226 S HA 0.058 4.528 4.470 -0.000 0.000 0.256 226 S C 0.958 175.558 174.600 0.000 0.000 1.383 226 S CA -0.042 58.145 58.200 -0.023 0.000 0.983 226 S CB 0.386 63.550 63.200 -0.060 0.000 0.908 226 S HN 0.303 nan 8.310 nan 0.000 0.572 227 E N -0.287 119.925 120.200 0.020 0.000 2.442 227 E HA 0.257 4.607 4.350 -0.000 0.000 0.195 227 E C -0.007 176.684 176.600 0.152 0.000 1.030 227 E CA 0.003 56.462 56.400 0.099 0.000 0.869 227 E CB -0.262 29.538 29.700 0.166 0.000 0.857 227 E HN 0.668 nan 8.360 nan 0.000 0.505 228 I N 1.493 122.045 120.570 -0.030 0.000 2.494 228 I HA 0.050 4.220 4.170 -0.000 0.000 0.289 228 I C 0.078 176.208 176.117 0.021 0.000 1.106 228 I CA -0.153 61.078 61.300 -0.115 0.000 1.369 228 I CB 0.699 38.467 38.000 -0.386 0.000 1.410 228 I HN -0.010 nan 8.210 nan 0.000 0.523 229 A N 7.824 130.712 122.820 0.114 0.000 3.056 229 A HA 0.522 4.842 4.320 -0.000 0.000 0.328 229 A C -0.057 177.563 177.584 0.060 0.000 1.233 229 A CA -0.445 51.635 52.037 0.073 0.000 0.965 229 A CB -0.061 18.986 19.000 0.078 0.000 1.123 229 A HN 0.796 nan 8.150 nan 0.000 0.502 230 E N -0.023 120.196 120.200 0.033 0.000 2.445 230 E HA 0.488 4.838 4.350 -0.000 0.000 0.279 230 E C -1.223 175.380 176.600 0.006 0.000 1.018 230 E CA -1.172 55.237 56.400 0.016 0.000 0.816 230 E CB 1.325 31.031 29.700 0.011 0.000 1.356 230 E HN 0.011 nan 8.360 nan 0.000 0.462 231 V N 1.526 121.436 119.914 -0.006 0.000 2.572 231 V HA 0.293 4.413 4.120 -0.000 0.000 0.291 231 V C 0.247 176.342 176.094 0.003 0.000 1.039 231 V CA 0.542 62.863 62.300 0.035 0.000 1.055 231 V CB 0.335 32.172 31.823 0.023 0.000 0.969 231 V HN 0.883 nan 8.190 nan 0.000 0.482 232 T N 1.640 116.237 114.554 0.073 0.000 2.787 232 T HA 0.752 5.102 4.350 -0.000 0.000 0.297 232 T C -0.991 173.749 174.700 0.066 0.000 1.221 232 T CA -0.808 61.304 62.100 0.020 0.000 1.006 232 T CB 1.859 70.721 68.868 -0.010 0.000 1.328 232 T HN 0.277 nan 8.240 nan 0.000 0.509 233 V N 0.436 120.350 119.914 -0.001 0.000 2.483 233 V HA 0.601 4.721 4.120 -0.000 0.000 0.297 233 V C -0.396 175.714 176.094 0.027 0.000 1.027 233 V CA -0.920 61.359 62.300 -0.035 0.000 0.855 233 V CB 1.258 32.930 31.823 -0.252 0.000 0.995 233 V HN 1.246 nan 8.190 nan 0.000 0.424 234 C N 8.222 127.537 119.300 0.024 0.000 2.301 234 C HA 0.876 5.336 4.460 -0.000 0.000 0.323 234 C C -0.390 174.645 174.990 0.075 0.000 1.265 234 C CA -0.269 58.766 59.018 0.028 0.000 1.503 234 C CB -0.086 27.656 27.740 0.003 0.000 2.195 234 C HN 0.894 nan 8.230 nan 0.000 0.477 235 M N 3.220 122.900 119.600 0.134 0.000 2.755 235 M HA 0.334 4.814 4.480 -0.000 0.000 0.273 235 M C -0.572 175.846 176.300 0.197 0.000 1.278 235 M CA -0.546 54.879 55.300 0.208 0.000 0.819 235 M CB 0.890 33.672 32.600 0.304 0.000 1.694 235 M HN 0.707 nan 8.290 nan 0.000 0.460 236 H N 0.327 119.445 119.070 0.081 0.000 3.092 236 H HA 0.156 4.712 4.556 -0.000 0.000 0.332 236 H C 0.866 176.193 175.328 -0.002 0.000 1.029 236 H CA 1.384 57.444 56.048 0.019 0.000 1.376 236 H CB 0.613 30.390 29.762 0.026 0.000 1.329 236 H HN 0.722 nan 8.280 nan 0.000 0.598 237 A N 2.645 125.406 122.820 -0.099 0.000 2.169 237 A HA 0.162 4.482 4.320 -0.000 0.000 0.210 237 A C 0.859 178.397 177.584 -0.078 0.000 1.168 237 A CA 1.065 52.951 52.037 -0.251 0.000 0.813 237 A CB 0.117 18.593 19.000 -0.873 0.000 0.861 237 A HN 0.757 nan 8.150 nan 0.000 0.481 238 T N -5.658 108.889 114.554 -0.011 0.000 2.645 238 T HA 0.465 4.815 4.350 -0.000 0.000 0.300 238 T C 0.523 175.275 174.700 0.086 0.000 1.210 238 T CA -0.297 61.814 62.100 0.018 0.000 1.034 238 T CB 0.486 69.346 68.868 -0.015 0.000 1.537 238 T HN -0.046 nan 8.240 nan 0.000 0.492 239 M N 0.647 120.276 119.600 0.048 0.000 2.595 239 M HA 0.185 4.665 4.480 -0.000 0.000 0.248 239 M C -0.180 176.179 176.300 0.099 0.000 1.119 239 M CA 0.240 55.574 55.300 0.055 0.000 1.079 239 M CB -0.204 32.396 32.600 -0.001 0.000 1.472 239 M HN 0.496 nan 8.290 nan 0.000 0.501 240 D N 1.407 121.853 120.400 0.078 0.000 2.339 240 D HA 0.037 4.676 4.640 -0.000 0.000 0.245 240 D C -0.326 176.024 176.300 0.083 0.000 1.115 240 D CA 0.266 54.298 54.000 0.055 0.000 0.917 240 D CB 0.892 41.693 40.800 0.002 0.000 1.192 240 D HN 0.013 nan 8.370 nan 0.000 0.428 241 D N 1.855 122.293 120.400 0.064 0.000 3.057 241 D HA 0.167 4.807 4.640 -0.000 0.000 0.246 241 D C 0.811 177.070 176.300 -0.070 0.000 1.238 241 D CA 0.067 54.091 54.000 0.040 0.000 0.949 241 D CB 0.363 41.222 40.800 0.098 0.000 1.086 241 D HN 0.266 nan 8.370 nan 0.000 0.487 242 L N -1.283 119.863 121.223 -0.129 0.000 2.666 242 L HA 0.181 4.521 4.340 -0.000 0.000 0.184 242 L C 0.896 177.668 176.870 -0.163 0.000 1.092 242 L CA 0.225 54.995 54.840 -0.115 0.000 0.857 242 L CB 0.155 42.166 42.059 -0.080 0.000 1.281 242 L HN -0.168 nan 8.230 nan 0.000 0.489 243 S N -1.678 113.898 115.700 -0.207 0.000 2.689 243 S HA 0.579 5.049 4.470 -0.000 0.000 0.306 243 S C -1.114 173.303 174.600 -0.306 0.000 1.104 243 S CA -0.517 57.548 58.200 -0.225 0.000 0.973 243 S CB 2.551 65.635 63.200 -0.194 0.000 1.121 243 S HN 0.129 nan 8.310 nan 0.000 0.523 244 C N 1.762 120.913 119.300 -0.250 0.000 2.712 244 C HA 0.595 5.055 4.460 -0.000 0.000 0.308 244 C C -0.942 173.940 174.990 -0.180 0.000 1.201 244 C CA -0.707 58.186 59.018 -0.208 0.000 1.554 244 C CB 1.041 28.706 27.740 -0.125 0.000 2.117 244 C HN 0.834 nan 8.230 nan 0.000 0.480 245 H N 1.705 120.685 119.070 -0.150 0.000 2.463 245 H HA 0.529 5.085 4.556 -0.000 0.000 0.332 245 H C -0.609 174.446 175.328 -0.456 0.000 1.127 245 H CA -0.436 55.415 56.048 -0.328 0.000 1.238 245 H CB 1.641 31.116 29.762 -0.479 0.000 1.478 245 H HN 0.480 nan 8.280 nan 0.000 0.499 246 L N 5.164 126.233 121.223 -0.257 0.000 2.255 246 L HA 0.188 4.528 4.340 -0.000 0.000 0.289 246 L C -0.396 176.287 176.870 -0.312 0.000 1.046 246 L CA -0.242 54.462 54.840 -0.226 0.000 0.816 246 L CB -0.090 41.878 42.059 -0.151 0.000 1.197 246 L HN 0.533 nan 8.230 nan 0.000 0.427 247 H N 4.260 123.301 119.070 -0.048 0.000 2.473 247 H HA 0.272 4.828 4.556 -0.000 0.000 0.327 247 H C -0.265 175.001 175.328 -0.103 0.000 1.105 247 H CA -0.590 55.411 56.048 -0.078 0.000 1.280 247 H CB 1.152 30.871 29.762 -0.073 0.000 1.450 247 H HN 0.551 nan 8.280 nan 0.000 0.492 248 R N 1.634 122.139 120.500 0.009 0.000 2.421 248 R HA 0.030 4.370 4.340 -0.000 0.000 0.305 248 R C 1.231 177.478 176.300 -0.089 0.000 1.039 248 R CA 0.229 56.299 56.100 -0.050 0.000 1.003 248 R CB 0.170 30.436 30.300 -0.056 0.000 0.959 248 R HN 0.882 nan 8.270 nan 0.000 0.427 249 G N 3.227 111.949 108.800 -0.131 0.000 2.606 249 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.221 249 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.221 249 G C 0.992 175.722 174.900 -0.282 0.000 1.152 249 G CA 1.319 46.284 45.100 -0.226 0.000 0.765 249 G HN 0.633 nan 8.290 nan 0.000 0.595 250 V N -3.220 116.520 119.914 -0.289 0.000 3.602 250 V HA 0.424 4.544 4.120 -0.000 0.000 0.289 250 V C 0.654 176.634 176.094 -0.190 0.000 1.265 250 V CA 0.718 62.831 62.300 -0.312 0.000 1.202 250 V CB -0.218 31.404 31.823 -0.335 0.000 1.012 250 V HN 0.132 nan 8.190 nan 0.000 0.431 251 K N 0.737 121.043 120.400 -0.156 0.000 3.365 251 K HA 0.474 4.794 4.320 -0.000 0.000 0.187 251 K C -1.016 175.515 176.600 -0.114 0.000 1.062 251 K CA 0.061 56.275 56.287 -0.122 0.000 0.882 251 K CB 1.813 34.244 32.500 -0.114 0.000 0.750 251 K HN 0.401 nan 8.250 nan 0.000 0.479 252 V N -0.264 119.580 119.914 -0.116 0.000 3.078 252 V HA 0.601 4.721 4.120 -0.000 0.000 0.311 252 V C -0.333 175.729 176.094 -0.054 0.000 1.138 252 V CA -1.073 61.154 62.300 -0.122 0.000 1.007 252 V CB 2.979 34.709 31.823 -0.155 0.000 1.045 252 V HN 0.204 nan 8.190 nan 0.000 0.432 253 R N 0.826 121.291 120.500 -0.058 0.000 2.561 253 R HA 0.328 4.668 4.340 -0.000 0.000 0.266 253 R C -1.143 174.889 176.300 -0.447 0.000 1.091 253 R CA -0.912 55.022 56.100 -0.277 0.000 0.927 253 R CB 2.123 32.304 30.300 -0.198 0.000 1.240 253 R HN 0.583 nan 8.270 nan 0.000 0.449 254 K N 4.256 124.074 120.400 -0.969 0.000 2.110 254 K HA 0.076 4.396 4.320 -0.000 0.000 0.260 254 K C 0.743 177.018 176.600 -0.541 0.000 1.126 254 K CA 0.028 55.644 56.287 -1.118 0.000 1.005 254 K CB 0.498 32.461 32.500 -0.895 0.000 1.336 254 K HN 0.489 nan 8.250 nan 0.000 0.369 255 M N 0.917 120.286 119.600 -0.386 0.000 2.619 255 M HA -0.037 4.443 4.480 -0.000 0.000 0.251 255 M C 0.336 176.593 176.300 -0.071 0.000 1.106 255 M CA 0.675 55.870 55.300 -0.176 0.000 1.086 255 M CB -0.828 31.704 32.600 -0.113 0.000 1.465 255 M HN 0.384 nan 8.290 nan 0.000 0.506 256 H N -1.699 117.240 119.070 -0.218 0.000 2.895 256 H HA 0.299 4.855 4.556 -0.000 0.000 0.373 256 H C 0.741 175.985 175.328 -0.141 0.000 1.174 256 H CA -0.122 55.839 56.048 -0.146 0.000 1.144 256 H CB 1.514 31.205 29.762 -0.117 0.000 1.793 256 H HN -0.134 nan 8.280 nan 0.000 0.551 257 T N 1.022 115.186 114.554 -0.650 0.000 2.867 257 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 257 T C 1.192 175.792 174.700 -0.168 0.000 1.057 257 T CA 1.972 63.854 62.100 -0.362 0.000 1.136 257 T CB -0.053 68.593 68.868 -0.371 0.000 0.874 257 T HN 0.660 nan 8.240 nan 0.000 0.466 258 S N -1.202 114.494 115.700 -0.007 0.000 2.590 258 S HA 0.276 4.746 4.470 -0.000 0.000 0.281 258 S C 0.468 175.170 174.600 0.170 0.000 1.068 258 S CA -0.627 57.632 58.200 0.099 0.000 1.193 258 S CB 0.263 63.498 63.200 0.058 0.000 1.040 258 S HN 0.174 nan 8.310 nan 0.000 0.544 259 R N 1.792 122.512 120.500 0.367 0.000 2.678 259 R HA 0.200 4.540 4.340 -0.000 0.000 0.264 259 R C 1.447 177.742 176.300 -0.008 0.000 0.995 259 R CA 0.232 56.344 56.100 0.020 0.000 1.098 259 R CB 0.228 30.340 30.300 -0.312 0.000 0.949 259 R HN 0.323 nan 8.270 nan 0.000 0.422 260 R N 1.301 121.770 120.500 -0.053 0.000 2.127 260 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 260 R C 0.517 176.825 176.300 0.013 0.000 1.134 260 R CA 1.930 57.976 56.100 -0.091 0.000 0.975 260 R CB 0.056 30.238 30.300 -0.197 0.000 0.865 260 R HN 0.688 nan 8.270 nan 0.000 0.447 261 D N -1.163 119.249 120.400 0.021 0.000 2.561 261 D HA -0.042 4.598 4.640 -0.000 0.000 0.232 261 D C 0.870 177.191 176.300 0.036 0.000 1.198 261 D CA 0.063 54.107 54.000 0.074 0.000 0.826 261 D CB 0.328 41.157 40.800 0.049 0.000 0.992 261 D HN -0.066 nan 8.370 nan 0.000 0.490 262 T N -0.587 113.968 114.554 0.002 0.000 2.720 262 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 262 T C 0.198 174.772 174.700 -0.210 0.000 1.037 262 T CA 0.719 62.762 62.100 -0.095 0.000 1.144 262 T CB -0.422 68.339 68.868 -0.179 0.000 0.864 262 T HN 0.101 nan 8.240 nan 0.000 0.444 263 F N 3.030 122.962 119.950 -0.030 0.000 2.471 263 F HA 0.454 4.980 4.527 -0.000 0.000 0.365 263 F C 0.879 176.529 175.800 -0.250 0.000 1.095 263 F CA -0.431 57.477 58.000 -0.154 0.000 1.174 263 F CB 0.492 39.416 39.000 -0.127 0.000 1.105 263 F HN -0.127 nan 8.300 nan 0.000 0.535 264 R N 1.955 122.362 120.500 -0.155 0.000 2.670 264 R HA 0.366 4.706 4.340 -0.000 0.000 0.289 264 R C -0.520 175.616 176.300 -0.274 0.000 0.965 264 R CA -0.908 55.089 56.100 -0.172 0.000 0.899 264 R CB 2.060 32.322 30.300 -0.064 0.000 1.173 264 R HN 0.442 nan 8.270 nan 0.000 0.456 265 S N 2.693 118.293 115.700 -0.168 0.000 2.549 265 S HA 0.105 4.575 4.470 -0.000 0.000 0.283 265 S C 1.178 175.713 174.600 -0.108 0.000 1.320 265 S CA -0.196 57.949 58.200 -0.091 0.000 1.058 265 S CB 0.516 63.735 63.200 0.032 0.000 0.882 265 S HN 0.363 nan 8.310 nan 0.000 0.498 266 M N 2.519 122.046 119.600 -0.121 0.000 2.198 266 M HA 0.181 4.660 4.480 -0.000 0.000 0.218 266 M C 0.932 177.138 176.300 -0.156 0.000 1.236 266 M CA 1.026 56.269 55.300 -0.096 0.000 1.176 266 M CB -1.317 31.246 32.600 -0.063 0.000 1.109 266 M HN 0.454 nan 8.290 nan 0.000 0.449 267 N N 1.121 119.712 118.700 -0.182 0.000 3.052 267 N HA 0.422 5.162 4.740 -0.000 0.000 0.302 267 N C -0.776 174.325 175.510 -0.680 0.000 1.332 267 N CA 0.053 52.930 53.050 -0.288 0.000 1.129 267 N CB 0.274 38.711 38.487 -0.082 0.000 1.436 267 N HN 0.319 nan 8.380 nan 0.000 0.536 268 A N -0.158 122.128 122.820 -0.890 0.000 2.483 268 A HA 0.544 4.864 4.320 -0.000 0.000 0.294 268 A C -1.556 175.732 177.584 -0.493 0.000 1.077 268 A CA -0.615 50.879 52.037 -0.906 0.000 0.633 268 A CB 0.727 19.514 19.000 -0.355 0.000 1.318 268 A HN 0.145 nan 8.150 nan 0.000 0.455 269 L N 0.295 121.396 121.223 -0.204 0.000 2.313 269 L HA 0.547 4.887 4.340 -0.000 0.000 0.268 269 L C -2.306 174.507 176.870 -0.096 0.000 1.010 269 L CA -2.286 52.508 54.840 -0.078 0.000 0.814 269 L CB 1.862 43.939 42.059 0.029 0.000 1.304 269 L HN 0.436 nan 8.230 nan 0.000 0.441 270 P HA 0.074 nan 4.420 nan 0.000 0.268 270 P C 0.585 177.772 177.300 -0.188 0.000 1.205 270 P CA -0.029 62.919 63.100 -0.254 0.000 0.771 270 P CB 0.567 31.870 31.700 -0.662 0.000 0.858 271 L N 1.098 122.223 121.223 -0.162 0.000 2.201 271 L HA 0.038 4.378 4.340 -0.000 0.000 0.212 271 L C 1.111 177.889 176.870 -0.154 0.000 1.105 271 L CA 1.227 55.984 54.840 -0.138 0.000 0.775 271 L CB -0.367 41.600 42.059 -0.154 0.000 0.913 271 L HN 0.475 nan 8.230 nan 0.000 0.440 272 A N -0.703 122.023 122.820 -0.156 0.000 2.511 272 A HA 0.518 4.838 4.320 -0.000 0.000 0.293 272 A C -1.388 176.176 177.584 -0.034 0.000 1.098 272 A CA -0.557 51.416 52.037 -0.107 0.000 0.643 272 A CB 1.135 20.054 19.000 -0.136 0.000 1.302 272 A HN -0.020 nan 8.150 nan 0.000 0.446 273 E N 0.306 120.500 120.200 -0.010 0.000 2.141 273 E HA 0.566 4.916 4.350 -0.000 0.000 0.259 273 E C -1.359 175.223 176.600 -0.029 0.000 0.883 273 E CA -0.306 56.111 56.400 0.027 0.000 0.744 273 E CB 1.356 31.075 29.700 0.032 0.000 1.150 273 E HN 0.517 nan 8.360 nan 0.000 0.420 274 V N 3.245 123.129 119.914 -0.051 0.000 2.716 274 V HA 0.591 4.711 4.120 -0.000 0.000 0.304 274 V C 0.140 176.189 176.094 -0.074 0.000 1.053 274 V CA -0.409 61.853 62.300 -0.063 0.000 0.984 274 V CB 1.997 33.781 31.823 -0.065 0.000 1.021 274 V HN 0.723 nan 8.190 nan 0.000 0.467 275 T N 4.070 118.587 114.554 -0.062 0.000 2.932 275 T HA 0.349 4.699 4.350 -0.000 0.000 0.318 275 T C -2.328 172.343 174.700 -0.048 0.000 1.265 275 T CA -0.831 61.231 62.100 -0.063 0.000 1.036 275 T CB 2.265 71.100 68.868 -0.054 0.000 1.209 275 T HN 0.391 nan 8.240 nan 0.000 0.484 276 P HA -0.090 nan 4.420 nan 0.000 0.221 276 P C 0.507 177.790 177.300 -0.029 0.000 1.141 276 P CA 1.183 64.262 63.100 -0.034 0.000 0.794 276 P CB 0.229 31.911 31.700 -0.031 0.000 0.764 277 D N -1.948 118.434 120.400 -0.030 0.000 2.388 277 D HA 0.229 4.869 4.640 -0.000 0.000 0.208 277 D C 1.311 177.597 176.300 -0.023 0.000 1.035 277 D CA 0.755 54.740 54.000 -0.024 0.000 0.875 277 D CB 0.402 41.189 40.800 -0.022 0.000 0.984 277 D HN 0.145 nan 8.370 nan 0.000 0.508 278 G N -0.109 108.674 108.800 -0.028 0.000 2.495 278 G HA2 0.482 4.442 3.960 -0.000 0.000 0.294 278 G HA3 0.482 4.442 3.960 -0.000 0.000 0.294 278 G C -1.847 173.033 174.900 -0.033 0.000 1.397 278 G CA -0.721 44.363 45.100 -0.026 0.000 0.790 278 G HN 0.064 nan 8.290 nan 0.000 0.486 279 I N -0.683 119.868 120.570 -0.033 0.000 2.846 279 I HA 0.692 4.862 4.170 -0.000 0.000 0.307 279 I C 0.278 176.375 176.117 -0.033 0.000 1.053 279 I CA -1.221 60.053 61.300 -0.042 0.000 1.050 279 I CB 2.330 40.296 38.000 -0.057 0.000 1.239 279 I HN 0.578 nan 8.210 nan 0.000 0.439 280 K N 6.296 126.675 120.400 -0.034 0.000 2.413 280 K HA 0.389 4.709 4.320 -0.000 0.000 0.204 280 K C 0.055 176.640 176.600 -0.025 0.000 1.041 280 K CA -0.359 55.915 56.287 -0.021 0.000 1.082 280 K CB 0.215 32.709 32.500 -0.010 0.000 0.871 280 K HN 0.681 nan 8.250 nan 0.000 0.535 281 I N 3.252 123.788 120.570 -0.056 0.000 2.823 281 I HA -0.345 3.825 4.170 -0.000 0.000 0.126 281 I C 0.859 176.962 176.117 -0.024 0.000 0.892 281 I CA 0.095 61.351 61.300 -0.073 0.000 2.783 281 I CB -0.380 37.581 38.000 -0.066 0.000 0.640 281 I HN 0.337 nan 8.210 nan 0.000 0.351 282 L N 2.497 123.699 121.223 -0.034 0.000 2.023 282 L HA -0.010 4.330 4.340 -0.000 0.000 0.205 282 L C 1.646 178.525 176.870 0.015 0.000 1.073 282 L CA 1.018 55.852 54.840 -0.010 0.000 0.745 282 L CB -0.360 41.681 42.059 -0.031 0.000 0.900 282 L HN 0.551 nan 8.230 nan 0.000 0.435 283 E N 0.896 121.100 120.200 0.008 0.000 2.383 283 E HA -0.029 4.321 4.350 -0.000 0.000 0.264 283 E C 0.142 176.822 176.600 0.133 0.000 1.050 283 E CA 0.302 56.737 56.400 0.058 0.000 0.896 283 E CB 1.204 30.932 29.700 0.047 0.000 0.982 283 E HN 0.134 nan 8.360 nan 0.000 0.424 284 E N 1.725 122.018 120.200 0.156 0.000 2.601 284 E HA 0.036 4.386 4.350 -0.000 0.000 0.219 284 E C -0.243 176.439 176.600 0.137 0.000 0.964 284 E CA -0.036 56.479 56.400 0.192 0.000 1.050 284 E CB 0.374 30.131 29.700 0.096 0.000 1.068 284 E HN 0.311 nan 8.360 nan 0.000 0.496 285 N N 1.225 120.010 118.700 0.141 0.000 2.621 285 N HA 0.092 4.831 4.740 -0.000 0.000 0.237 285 N C -1.315 174.262 175.510 0.110 0.000 0.997 285 N CA -0.123 52.947 53.050 0.034 0.000 0.918 285 N CB 0.301 38.807 38.487 0.031 0.000 1.122 285 N HN -0.104 nan 8.380 nan 0.000 0.510 286 Y N -0.051 120.248 120.300 -0.002 0.000 2.625 286 Y HA 0.530 5.080 4.550 -0.000 0.000 0.338 286 Y C -0.417 175.480 175.900 -0.004 0.000 1.123 286 Y CA -1.323 56.774 58.100 -0.006 0.000 1.046 286 Y CB 0.718 39.172 38.460 -0.010 0.000 1.299 286 Y HN -0.014 nan 8.280 nan 0.000 0.464 287 R N 2.938 123.529 120.500 0.152 0.000 2.399 287 R HA 0.106 4.446 4.340 -0.000 0.000 0.324 287 R C -0.326 176.055 176.300 0.136 0.000 1.030 287 R CA -0.200 55.945 56.100 0.074 0.000 0.984 287 R CB 0.411 30.759 30.300 0.080 0.000 0.961 287 R HN 0.683 nan 8.270 nan 0.000 0.433 288 K N 1.729 122.117 120.400 -0.020 0.000 2.476 288 K HA 0.016 4.335 4.320 -0.000 0.000 0.263 288 K C 1.637 178.294 176.600 0.094 0.000 1.086 288 K CA -0.014 56.295 56.287 0.037 0.000 0.880 288 K CB 0.284 32.749 32.500 -0.059 0.000 1.128 288 K HN 0.277 nan 8.250 nan 0.000 0.497 289 R N -0.206 120.342 120.500 0.080 0.000 1.633 289 R HA -0.007 4.333 4.340 -0.000 0.000 0.129 289 R C 2.084 178.411 176.300 0.044 0.000 0.840 289 R CA 1.542 57.681 56.100 0.064 0.000 1.694 289 R CB -1.364 28.969 30.300 0.055 0.000 0.620 289 R HN 0.855 nan 8.270 nan 0.000 0.667 290 G N 1.166 109.986 108.800 0.033 0.000 2.550 290 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.222 290 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.222 290 G C 1.495 176.410 174.900 0.025 0.000 1.113 290 G CA 2.071 47.188 45.100 0.028 0.000 0.748 290 G HN 0.603 nan 8.290 nan 0.000 0.585 291 S N -0.066 115.645 115.700 0.018 0.000 2.432 291 S HA -0.205 4.265 4.470 -0.000 0.000 0.243 291 S C 0.715 175.326 174.600 0.019 0.000 1.069 291 S CA 1.773 59.980 58.200 0.012 0.000 1.047 291 S CB -0.345 62.855 63.200 0.001 0.000 0.854 291 S HN 0.420 nan 8.310 nan 0.000 0.474 292 D N 1.109 121.526 120.400 0.028 0.000 2.217 292 D HA 0.524 5.164 4.640 -0.000 0.000 0.248 292 D C -0.535 175.787 176.300 0.038 0.000 1.008 292 D CA -0.388 53.631 54.000 0.032 0.000 0.914 292 D CB 0.946 41.768 40.800 0.037 0.000 1.182 292 D HN 0.090 nan 8.370 nan 0.000 0.451 293 E N 1.351 121.575 120.200 0.039 0.000 2.145 293 E HA 0.175 4.525 4.350 -0.000 0.000 0.270 293 E C -0.626 176.006 176.600 0.053 0.000 0.906 293 E CA -1.047 55.381 56.400 0.046 0.000 0.761 293 E CB 1.686 31.410 29.700 0.039 0.000 1.116 293 E HN 0.301 nan 8.360 nan 0.000 0.408 294 L N 3.585 124.852 121.223 0.075 0.000 2.825 294 L HA -0.065 4.275 4.340 -0.000 0.000 0.278 294 L C -0.055 176.841 176.870 0.043 0.000 1.125 294 L CA 1.037 55.934 54.840 0.094 0.000 1.023 294 L CB -0.441 41.727 42.059 0.182 0.000 1.377 294 L HN 0.402 nan 8.230 nan 0.000 0.471 295 E N 3.954 124.150 120.200 -0.007 0.000 2.299 295 E HA 0.631 4.981 4.350 -0.000 0.000 0.265 295 E C -1.490 175.030 176.600 -0.133 0.000 0.911 295 E CA -1.086 55.276 56.400 -0.064 0.000 0.789 295 E CB 2.419 32.118 29.700 -0.001 0.000 1.246 295 E HN 0.538 nan 8.360 nan 0.000 0.427 296 L N 1.569 122.679 121.223 -0.188 0.000 2.573 296 L HA 0.227 4.567 4.340 -0.000 0.000 0.260 296 L C -1.173 175.682 176.870 -0.024 0.000 0.997 296 L CA -0.216 54.528 54.840 -0.161 0.000 0.890 296 L CB 1.448 43.240 42.059 -0.445 0.000 1.179 296 L HN 0.427 nan 8.230 nan 0.000 0.439 297 S N 0.504 116.285 115.700 0.134 0.000 3.363 297 S HA 0.233 4.703 4.470 -0.000 0.000 0.267 297 S C 0.470 175.222 174.600 0.253 0.000 1.288 297 S CA -0.273 58.044 58.200 0.195 0.000 0.948 297 S CB -0.039 63.364 63.200 0.339 0.000 1.397 297 S HN 0.670 nan 8.310 nan 0.000 0.493 298 D N 1.427 121.912 120.400 0.141 0.000 2.352 298 D HA -0.059 4.581 4.640 -0.000 0.000 0.232 298 D C 0.440 176.825 176.300 0.142 0.000 1.055 298 D CA -0.091 54.008 54.000 0.165 0.000 0.891 298 D CB -0.050 40.823 40.800 0.122 0.000 0.897 298 D HN 0.427 nan 8.370 nan 0.000 0.529 299 R N 0.228 120.779 120.500 0.085 0.000 2.340 299 R HA 0.495 4.835 4.340 -0.000 0.000 0.300 299 R C -0.831 175.498 176.300 0.049 0.000 1.069 299 R CA -0.396 55.717 56.100 0.022 0.000 0.984 299 R CB 1.722 31.984 30.300 -0.064 0.000 1.003 299 R HN -0.049 nan 8.270 nan 0.000 0.459 300 V N 2.371 122.325 119.914 0.067 0.000 2.808 300 V HA 0.104 4.224 4.120 -0.000 0.000 0.308 300 V C -0.608 175.517 176.094 0.051 0.000 1.099 300 V CA -0.900 61.468 62.300 0.114 0.000 0.920 300 V CB 2.156 34.120 31.823 0.235 0.000 1.014 300 V HN 0.691 nan 8.190 nan 0.000 0.425 301 E N 2.732 122.959 120.200 0.044 0.000 1.996 301 E HA 0.220 4.570 4.350 -0.000 0.000 0.280 301 E C 1.029 177.659 176.600 0.049 0.000 1.092 301 E CA -0.115 56.299 56.400 0.023 0.000 0.862 301 E CB 0.703 30.409 29.700 0.011 0.000 1.066 301 E HN 0.716 nan 8.360 nan 0.000 0.396 302 E N 4.689 124.899 120.200 0.018 0.000 2.401 302 E HA -0.169 4.181 4.350 -0.000 0.000 0.199 302 E C 0.185 176.838 176.600 0.089 0.000 1.023 302 E CA 0.479 56.883 56.400 0.008 0.000 0.859 302 E CB -0.235 29.429 29.700 -0.059 0.000 0.780 302 E HN 0.393 nan 8.360 nan 0.000 0.523 303 R N 1.031 121.598 120.500 0.112 0.000 2.287 303 R HA 0.448 4.788 4.340 -0.000 0.000 0.316 303 R C -1.166 175.373 176.300 0.398 0.000 1.050 303 R CA -0.368 55.869 56.100 0.228 0.000 0.983 303 R CB 1.012 31.312 30.300 -0.000 0.000 1.140 303 R HN -0.168 nan 8.270 nan 0.000 0.528 304 V N 2.376 122.594 119.914 0.505 0.000 2.569 304 V HA 0.450 4.570 4.120 -0.000 0.000 0.301 304 V C 0.108 176.449 176.094 0.412 0.000 1.044 304 V CA -0.924 61.634 62.300 0.430 0.000 0.874 304 V CB 1.786 33.773 31.823 0.273 0.000 1.002 304 V HN 0.893 nan 8.190 nan 0.000 0.424 305 A N 4.861 127.730 122.820 0.082 0.000 2.425 305 A HA 0.659 4.979 4.320 -0.000 0.000 0.249 305 A C -0.751 176.899 177.584 0.111 0.000 1.084 305 A CA 0.176 52.080 52.037 -0.221 0.000 0.781 305 A CB 0.098 18.704 19.000 -0.657 0.000 1.019 305 A HN 0.839 nan 8.150 nan 0.000 0.490 306 F N 3.861 123.723 119.950 -0.146 0.000 2.824 306 F HA 0.499 5.026 4.527 -0.000 0.000 0.375 306 F C -1.001 174.727 175.800 -0.119 0.000 1.190 306 F CA -1.805 56.139 58.000 -0.094 0.000 1.180 306 F CB 0.414 39.217 39.000 -0.328 0.000 1.477 306 F HN 0.407 nan 8.300 nan 0.000 0.542 307 I N 4.978 125.572 120.570 0.040 0.000 2.354 307 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 307 I C 0.017 176.100 176.117 -0.058 0.000 0.989 307 I CA -0.781 60.469 61.300 -0.083 0.000 1.188 307 I CB 1.634 39.574 38.000 -0.099 0.000 1.342 307 I HN 0.345 nan 8.210 nan 0.000 0.457 308 K N 4.940 125.280 120.400 -0.101 0.000 2.234 308 K HA 0.283 4.603 4.320 -0.000 0.000 0.282 308 K C -0.064 176.576 176.600 0.066 0.000 1.039 308 K CA -0.162 56.106 56.287 -0.032 0.000 0.928 308 K CB 1.188 33.654 32.500 -0.057 0.000 1.039 308 K HN 0.624 nan 8.250 nan 0.000 0.470 309 S N 2.884 118.612 115.700 0.047 0.000 2.632 309 S HA 0.430 4.900 4.470 -0.000 0.000 0.267 309 S C -1.307 173.357 174.600 0.106 0.000 1.276 309 S CA -0.412 57.779 58.200 -0.015 0.000 0.998 309 S CB 0.226 63.425 63.200 -0.002 0.000 0.953 309 S HN 0.558 nan 8.310 nan 0.000 0.547 310 Y N -0.853 119.447 120.300 -0.001 0.000 2.732 310 Y HA 0.531 5.081 4.550 -0.000 0.000 0.342 310 Y C -3.384 172.515 175.900 -0.002 0.000 1.203 310 Y CA -2.337 55.760 58.100 -0.004 0.000 1.092 310 Y CB -0.269 38.181 38.460 -0.015 0.000 1.345 310 Y HN 0.406 nan 8.280 nan 0.000 0.458 311 P HA 0.358 nan 4.420 nan 0.000 0.265 311 P C 0.752 178.179 177.300 0.212 0.000 1.222 311 P CA 1.927 65.111 63.100 0.140 0.000 0.767 311 P CB 0.694 32.459 31.700 0.107 0.000 0.801 312 G N 3.627 112.466 108.800 0.065 0.000 2.278 312 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.210 312 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.210 312 G C 0.297 175.164 174.900 -0.054 0.000 1.000 312 G CA -0.355 44.792 45.100 0.078 0.000 0.635 312 G HN 0.611 nan 8.290 nan 0.000 0.495 313 I N 2.303 122.579 120.570 -0.491 0.000 2.919 313 I HA 0.319 4.489 4.170 -0.000 0.000 0.303 313 I C 0.715 176.684 176.117 -0.246 0.000 1.221 313 I CA 1.034 61.901 61.300 -0.721 0.000 1.444 313 I CB 0.793 38.174 38.000 -1.033 0.000 1.331 313 I HN 0.292 nan 8.210 nan 0.000 0.572 314 S N 7.194 122.819 115.700 -0.126 0.000 2.549 314 S HA 0.507 4.977 4.470 -0.000 0.000 0.297 314 S C -1.622 172.967 174.600 -0.019 0.000 1.115 314 S CA -1.557 56.617 58.200 -0.045 0.000 1.059 314 S CB 1.779 64.980 63.200 0.001 0.000 1.046 314 S HN 0.499 nan 8.310 nan 0.000 0.506 315 P HA -0.116 nan 4.420 nan 0.000 0.217 315 P C 0.451 177.792 177.300 0.069 0.000 1.151 315 P CA 1.325 64.442 63.100 0.027 0.000 0.849 315 P CB -0.014 31.702 31.700 0.027 0.000 0.787 316 D N -0.887 119.556 120.400 0.073 0.000 2.172 316 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 316 D C 1.784 178.193 176.300 0.181 0.000 0.999 316 D CA 1.039 55.107 54.000 0.113 0.000 0.856 316 D CB -0.723 40.129 40.800 0.085 0.000 0.934 316 D HN 0.243 nan 8.370 nan 0.000 0.453 317 I N 0.255 120.918 120.570 0.156 0.000 2.202 317 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 317 I C 1.986 178.333 176.117 0.383 0.000 1.091 317 I CA 0.535 61.981 61.300 0.244 0.000 1.368 317 I CB -0.256 37.842 38.000 0.163 0.000 1.058 317 I HN 0.018 nan 8.210 nan 0.000 0.410 318 I N 1.160 121.864 120.570 0.223 0.000 2.179 318 I HA -0.276 3.893 4.170 -0.000 0.000 0.242 318 I C 2.526 178.786 176.117 0.238 0.000 1.088 318 I CA 1.593 63.011 61.300 0.195 0.000 1.357 318 I CB -1.282 36.771 38.000 0.089 0.000 1.051 318 I HN 0.302 nan 8.210 nan 0.000 0.409 319 K N 0.002 120.520 120.400 0.196 0.000 1.985 319 K HA -0.267 4.053 4.320 -0.000 0.000 0.210 319 K C 2.238 178.949 176.600 0.184 0.000 1.047 319 K CA 1.954 58.337 56.287 0.160 0.000 0.932 319 K CB -0.461 32.114 32.500 0.126 0.000 0.716 319 K HN 0.251 nan 8.250 nan 0.000 0.439 320 W N 2.020 123.372 121.300 0.087 0.000 2.274 320 W HA -0.333 4.327 4.660 0.000 0.000 0.314 320 W C 2.008 178.573 176.519 0.077 0.000 1.254 320 W CA 2.288 59.661 57.345 0.046 0.000 1.265 320 W CB -0.449 29.006 29.460 -0.009 0.000 1.141 320 W HN 0.335 nan 8.180 nan 0.000 0.505 321 H N -0.703 118.508 119.070 0.236 0.000 2.357 321 H HA -0.135 4.421 4.556 -0.000 0.000 0.301 321 H C 2.380 177.812 175.328 0.174 0.000 1.082 321 H CA 2.029 58.212 56.048 0.224 0.000 1.342 321 H CB -0.671 29.140 29.762 0.083 0.000 1.389 321 H HN 0.248 nan 8.280 nan 0.000 0.511 322 L N 0.502 121.842 121.223 0.196 0.000 2.017 322 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 322 L C 2.273 179.136 176.870 -0.011 0.000 1.073 322 L CA 1.113 56.016 54.840 0.105 0.000 0.745 322 L CB -0.324 41.784 42.059 0.082 0.000 0.894 322 L HN 0.149 nan 8.230 nan 0.000 0.432 323 D N -0.142 120.208 120.400 -0.085 0.000 2.149 323 D HA -0.215 4.425 4.640 -0.000 0.000 0.198 323 D C 1.956 178.087 176.300 -0.281 0.000 0.990 323 D CA 1.169 55.069 54.000 -0.167 0.000 0.839 323 D CB -0.037 40.651 40.800 -0.186 0.000 0.948 323 D HN 0.180 nan 8.370 nan 0.000 0.460 324 E N -0.373 119.552 120.200 -0.459 0.000 2.516 324 E HA 0.084 4.434 4.350 -0.000 0.000 0.199 324 E C 0.994 177.346 176.600 -0.414 0.000 1.069 324 E CA 0.542 56.595 56.400 -0.578 0.000 0.876 324 E CB -0.295 28.805 29.700 -1.000 0.000 0.843 324 E HN 0.326 nan 8.360 nan 0.000 0.530 325 G N -0.116 108.537 108.800 -0.245 0.000 2.149 325 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.235 325 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.235 325 G C -0.351 174.451 174.900 -0.164 0.000 1.018 325 G CA -0.054 44.938 45.100 -0.180 0.000 0.728 325 G HN 0.287 nan 8.290 nan 0.000 0.508 326 Y N 0.598 120.872 120.300 -0.043 0.000 2.465 326 Y HA 0.285 4.835 4.550 -0.000 0.000 0.331 326 Y C 2.066 177.983 175.900 0.028 0.000 1.102 326 Y CA -0.456 57.665 58.100 0.035 0.000 1.358 326 Y CB 0.626 39.168 38.460 0.136 0.000 1.213 326 Y HN 0.094 nan 8.280 nan 0.000 0.525 327 R N 2.421 123.020 120.500 0.165 0.000 2.236 327 R HA 0.149 4.489 4.340 -0.000 0.000 0.208 327 R C 0.597 176.959 176.300 0.103 0.000 1.036 327 R CA 0.494 56.649 56.100 0.092 0.000 1.001 327 R CB -0.059 30.267 30.300 0.044 0.000 0.896 327 R HN 0.795 nan 8.270 nan 0.000 0.464 328 G N 0.196 109.092 108.800 0.160 0.000 2.692 328 G HA2 0.653 4.613 3.960 -0.000 0.000 0.291 328 G HA3 0.653 4.613 3.960 -0.000 0.000 0.291 328 G C -1.303 173.667 174.900 0.117 0.000 1.423 328 G CA -0.639 44.531 45.100 0.116 0.000 0.843 328 G HN -0.008 nan 8.290 nan 0.000 0.486 329 I N 0.151 120.769 120.570 0.081 0.000 2.607 329 I HA 0.421 4.591 4.170 -0.000 0.000 0.290 329 I C -0.916 175.251 176.117 0.084 0.000 1.129 329 I CA -1.087 60.245 61.300 0.054 0.000 1.042 329 I CB 2.572 40.580 38.000 0.012 0.000 1.242 329 I HN 0.186 nan 8.210 nan 0.000 0.421 330 V N 6.606 126.601 119.914 0.136 0.000 2.407 330 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 330 V C 0.036 176.273 176.094 0.239 0.000 1.018 330 V CA -0.384 62.012 62.300 0.161 0.000 0.842 330 V CB 1.834 33.734 31.823 0.129 0.000 0.996 330 V HN 0.472 nan 8.190 nan 0.000 0.426 331 I N 3.691 124.357 120.570 0.160 0.000 2.440 331 I HA 0.367 4.537 4.170 -0.000 0.000 0.294 331 I C 0.475 176.698 176.117 0.177 0.000 0.995 331 I CA -0.214 61.169 61.300 0.138 0.000 1.306 331 I CB 1.434 39.477 38.000 0.071 0.000 1.407 331 I HN 0.653 nan 8.210 nan 0.000 0.501 332 E N 4.832 125.127 120.200 0.158 0.000 2.167 332 E HA 0.362 4.712 4.350 -0.000 0.000 0.247 332 E C 0.059 176.711 176.600 0.086 0.000 0.961 332 E CA -0.403 56.088 56.400 0.152 0.000 0.797 332 E CB 0.617 30.392 29.700 0.126 0.000 1.182 332 E HN 0.797 nan 8.360 nan 0.000 0.437 333 G N 1.691 110.536 108.800 0.074 0.000 2.563 333 G HA2 0.199 4.159 3.960 -0.000 0.000 0.283 333 G HA3 0.199 4.159 3.960 -0.000 0.000 0.283 333 G C 0.076 175.011 174.900 0.059 0.000 1.309 333 G CA -0.344 44.791 45.100 0.059 0.000 1.022 333 G HN 0.490 nan 8.290 nan 0.000 0.501 334 T N -1.974 112.626 114.554 0.077 0.000 2.910 334 T HA 0.494 4.844 4.350 -0.000 0.000 0.293 334 T C 1.040 175.778 174.700 0.064 0.000 1.015 334 T CA 0.147 62.299 62.100 0.086 0.000 1.094 334 T CB 1.019 69.956 68.868 0.116 0.000 0.968 334 T HN 1.246 nan 8.240 nan 0.000 0.521 335 G N 1.916 110.750 108.800 0.056 0.000 2.572 335 G HA2 0.035 3.995 3.960 -0.000 0.000 0.254 335 G HA3 0.035 3.995 3.960 -0.000 0.000 0.254 335 G C 0.724 175.608 174.900 -0.026 0.000 0.688 335 G CA 0.195 45.313 45.100 0.029 0.000 1.025 335 G HN 1.357 nan 8.290 nan 0.000 0.313 336 L N 0.654 121.830 121.223 -0.077 0.000 4.808 336 L HA -0.238 4.102 4.340 -0.000 0.000 0.396 336 L C 1.584 178.265 176.870 -0.314 0.000 0.811 336 L CA 1.440 56.183 54.840 -0.162 0.000 2.140 336 L CB -1.252 40.753 42.059 -0.090 0.000 1.363 336 L HN 2.410 nan 8.230 nan 0.000 0.611 337 G N 0.134 108.738 108.800 -0.327 0.000 2.580 337 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.204 337 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.204 337 G C -0.167 174.572 174.900 -0.269 0.000 1.107 337 G CA 0.107 45.061 45.100 -0.243 0.000 0.881 337 G HN 0.471 nan 8.290 nan 0.000 0.497 338 H N -1.167 117.931 119.070 0.047 0.000 2.754 338 H HA 0.867 5.423 4.556 -0.000 0.000 0.352 338 H C 0.616 175.956 175.328 0.018 0.000 1.213 338 H CA -0.157 55.911 56.048 0.034 0.000 1.244 338 H CB 1.918 31.698 29.762 0.029 0.000 1.843 338 H HN 1.108 nan 8.280 nan 0.000 0.587 339 C N -0.894 118.501 119.300 0.158 0.000 3.283 339 C HA 0.375 4.835 4.460 -0.000 0.000 0.359 339 C C -2.967 172.039 174.990 0.027 0.000 1.160 339 C CA -1.746 57.308 59.018 0.059 0.000 1.232 339 C CB 0.655 28.414 27.740 0.031 0.000 1.571 339 C HN 0.504 nan 8.230 nan 0.000 0.522 340 P HA 0.040 nan 4.420 nan 0.000 0.263 340 P C 0.596 177.884 177.300 -0.020 0.000 1.162 340 P CA 0.867 63.950 63.100 -0.029 0.000 0.758 340 P CB 0.656 32.325 31.700 -0.052 0.000 0.773 341 D N 1.153 121.539 120.400 -0.023 0.000 2.182 341 D HA -0.199 4.441 4.640 -0.000 0.000 0.201 341 D C 1.305 177.598 176.300 -0.011 0.000 0.986 341 D CA 2.110 56.101 54.000 -0.016 0.000 0.847 341 D CB -1.511 39.275 40.800 -0.023 0.000 0.942 341 D HN 0.457 nan 8.370 nan 0.000 0.467 342 T N -1.497 113.048 114.554 -0.016 0.000 3.007 342 T HA -0.033 4.317 4.350 -0.000 0.000 0.270 342 T C 1.890 176.585 174.700 -0.008 0.000 1.107 342 T CA 0.466 62.559 62.100 -0.012 0.000 1.118 342 T CB -0.521 68.337 68.868 -0.016 0.000 0.889 342 T HN 0.246 nan 8.240 nan 0.000 0.506 343 L N -0.127 121.090 121.223 -0.010 0.000 2.558 343 L HA 0.189 4.529 4.340 -0.000 0.000 0.225 343 L C 2.209 179.084 176.870 0.010 0.000 1.128 343 L CA -0.165 54.673 54.840 -0.002 0.000 0.868 343 L CB -0.543 41.509 42.059 -0.012 0.000 1.006 343 L HN 0.173 nan 8.230 nan 0.000 0.454 344 I N 1.369 121.944 120.570 0.008 0.000 2.053 344 I HA -0.216 3.954 4.170 -0.000 0.000 0.236 344 I C 0.199 176.326 176.117 0.017 0.000 1.038 344 I CA 2.146 63.453 61.300 0.012 0.000 1.304 344 I CB -2.249 35.755 38.000 0.007 0.000 1.023 344 I HN 0.136 nan 8.210 nan 0.000 0.395 345 P HA -0.167 nan 4.420 nan 0.000 0.217 345 P C 2.072 179.391 177.300 0.031 0.000 1.158 345 P CA 1.801 64.913 63.100 0.021 0.000 0.887 345 P CB -0.076 31.635 31.700 0.019 0.000 0.792 346 V N -0.790 119.144 119.914 0.033 0.000 2.295 346 V HA -0.238 3.881 4.120 -0.000 0.000 0.246 346 V C 2.366 178.490 176.094 0.051 0.000 1.049 346 V CA 1.711 64.037 62.300 0.044 0.000 1.024 346 V CB -1.301 30.550 31.823 0.047 0.000 0.648 346 V HN 0.080 nan 8.190 nan 0.000 0.447 347 I N 1.110 121.705 120.570 0.043 0.000 2.264 347 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 347 I C 2.538 178.694 176.117 0.065 0.000 1.111 347 I CA 1.689 63.019 61.300 0.050 0.000 1.382 347 I CB -0.807 37.215 38.000 0.037 0.000 1.060 347 I HN 0.436 nan 8.210 nan 0.000 0.418 348 G N 0.014 108.845 108.800 0.051 0.000 2.404 348 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.214 348 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.214 348 G C 1.502 176.462 174.900 0.100 0.000 1.189 348 G CA 0.576 45.712 45.100 0.060 0.000 0.789 348 G HN 0.408 nan 8.290 nan 0.000 0.533 349 E N 0.510 120.753 120.200 0.072 0.000 2.130 349 E HA -0.164 4.185 4.350 -0.000 0.000 0.196 349 E C 2.722 179.366 176.600 0.074 0.000 0.998 349 E CA 1.088 57.528 56.400 0.066 0.000 0.806 349 E CB -0.237 29.493 29.700 0.051 0.000 0.738 349 E HN 0.349 nan 8.360 nan 0.000 0.459 350 A N 0.921 123.792 122.820 0.083 0.000 1.908 350 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 350 A C 2.164 179.799 177.584 0.085 0.000 1.181 350 A CA 1.750 53.835 52.037 0.080 0.000 0.627 350 A CB -0.909 18.142 19.000 0.084 0.000 0.818 350 A HN 0.502 nan 8.150 nan 0.000 0.445 351 H N 0.012 119.095 119.070 0.021 0.000 2.326 351 H HA -0.129 4.427 4.556 -0.000 0.000 0.301 351 H C 1.083 176.419 175.328 0.012 0.000 1.081 351 H CA 1.786 57.843 56.048 0.016 0.000 1.334 351 H CB -0.134 29.636 29.762 0.014 0.000 1.385 351 H HN 0.372 nan 8.280 nan 0.000 0.504 352 D N 0.335 120.797 120.400 0.104 0.000 2.311 352 D HA -0.134 4.506 4.640 -0.000 0.000 0.212 352 D C 1.622 177.911 176.300 -0.020 0.000 0.972 352 D CA 0.868 54.893 54.000 0.042 0.000 0.887 352 D CB -0.157 40.679 40.800 0.061 0.000 0.915 352 D HN 0.500 nan 8.370 nan 0.000 0.497 353 M N -1.364 118.222 119.600 -0.025 0.000 2.383 353 M HA 0.218 4.698 4.480 -0.000 0.000 0.247 353 M C 1.024 177.288 176.300 -0.059 0.000 1.117 353 M CA 0.127 55.409 55.300 -0.030 0.000 0.995 353 M CB 1.021 33.619 32.600 -0.003 0.000 1.480 353 M HN 0.003 nan 8.290 nan 0.000 0.485 354 G N 1.428 110.156 108.800 -0.120 0.000 2.160 354 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.251 354 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.251 354 G C -0.094 174.760 174.900 -0.076 0.000 1.008 354 G CA -0.132 44.889 45.100 -0.132 0.000 0.724 354 G HN 0.355 nan 8.290 nan 0.000 0.514 355 V N 1.621 121.510 119.914 -0.042 0.000 2.333 355 V HA 0.374 4.494 4.120 -0.000 0.000 0.274 355 V C -1.515 174.594 176.094 0.026 0.000 1.028 355 V CA -1.565 60.740 62.300 0.009 0.000 0.851 355 V CB 1.575 33.425 31.823 0.044 0.000 1.000 355 V HN 0.098 nan 8.190 nan 0.000 0.456 356 P HA 0.179 nan 4.420 nan 0.000 0.268 356 P C -0.829 176.506 177.300 0.059 0.000 1.205 356 P CA 0.117 63.242 63.100 0.042 0.000 0.771 356 P CB 0.736 32.450 31.700 0.023 0.000 0.858 357 V N 2.839 122.794 119.914 0.069 0.000 2.482 357 V HA 0.635 4.755 4.120 -0.000 0.000 0.295 357 V C -0.048 176.079 176.094 0.056 0.000 1.026 357 V CA -0.630 61.708 62.300 0.064 0.000 0.856 357 V CB 1.566 33.430 31.823 0.068 0.000 1.001 357 V HN 0.631 nan 8.190 nan 0.000 0.424 358 A N 5.411 128.263 122.820 0.053 0.000 2.340 358 A HA 0.983 5.303 4.320 -0.000 0.000 0.331 358 A C -0.689 176.928 177.584 0.054 0.000 1.140 358 A CA -0.640 51.425 52.037 0.045 0.000 0.801 358 A CB 1.583 20.604 19.000 0.035 0.000 1.234 358 A HN 0.841 nan 8.150 nan 0.000 0.469 359 M N 2.108 121.733 119.600 0.043 0.000 2.364 359 M HA 0.671 5.151 4.480 -0.000 0.000 0.334 359 M C -0.223 176.101 176.300 0.040 0.000 1.107 359 M CA 0.174 55.500 55.300 0.043 0.000 0.988 359 M CB 1.796 34.410 32.600 0.023 0.000 1.673 359 M HN 0.898 nan 8.290 nan 0.000 0.441 360 T N 0.347 114.935 114.554 0.057 0.000 2.843 360 T HA 0.679 5.029 4.350 -0.000 0.000 0.302 360 T C -0.930 173.803 174.700 0.054 0.000 1.232 360 T CA -0.971 61.162 62.100 0.056 0.000 1.009 360 T CB 1.354 70.277 68.868 0.091 0.000 1.254 360 T HN 0.647 nan 8.240 nan 0.000 0.504 361 S N -0.542 115.183 115.700 0.041 0.000 2.549 361 S HA 0.274 4.744 4.470 -0.000 0.000 0.297 361 S C 1.071 175.705 174.600 0.057 0.000 1.115 361 S CA -0.629 57.592 58.200 0.034 0.000 1.059 361 S CB 1.327 64.529 63.200 0.004 0.000 1.046 361 S HN 0.749 nan 8.310 nan 0.000 0.506 362 Q N 1.792 121.626 119.800 0.057 0.000 2.224 362 Q HA -0.092 4.248 4.340 -0.000 0.000 0.203 362 Q C 2.074 178.106 176.000 0.053 0.000 0.970 362 Q CA 1.448 57.286 55.803 0.060 0.000 0.865 362 Q CB -0.429 28.342 28.738 0.054 0.000 0.922 362 Q HN 0.868 nan 8.270 nan 0.000 0.445 363 C N 0.187 119.512 119.300 0.042 0.000 2.403 363 C HA -0.149 4.311 4.460 -0.000 0.000 0.282 363 C C 1.958 176.980 174.990 0.052 0.000 1.297 363 C CA 0.805 59.846 59.018 0.039 0.000 1.785 363 C CB -1.216 26.529 27.740 0.007 0.000 1.963 363 C HN 0.655 nan 8.230 nan 0.000 0.507 364 L N -2.349 118.904 121.223 0.050 0.000 3.470 364 L HA -0.265 4.074 4.340 -0.000 0.000 0.128 364 L C 0.262 177.162 176.870 0.050 0.000 4.405 364 L CA 1.700 56.573 54.840 0.055 0.000 0.603 364 L CB -1.704 40.393 42.059 0.063 0.000 3.528 364 L HN 0.331 nan 8.230 nan 0.000 0.821 365 N N 2.258 121.003 118.700 0.074 0.000 2.475 365 N HA 0.441 5.181 4.740 -0.000 0.000 0.267 365 N C 0.438 175.933 175.510 -0.025 0.000 1.169 365 N CA 1.445 54.540 53.050 0.074 0.000 0.947 365 N CB 1.257 39.858 38.487 0.191 0.000 1.061 365 N HN 0.636 nan 8.380 nan 0.000 0.466 366 G N 0.773 109.571 108.800 -0.003 0.000 2.381 366 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.672 366 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.672 366 G C -1.302 173.596 174.900 -0.003 0.000 1.324 366 G CA -0.995 44.088 45.100 -0.029 0.000 0.975 366 G HN 0.663 nan 8.290 nan 0.000 0.593 367 R N -0.197 120.297 120.500 -0.011 0.000 2.562 367 R HA 0.688 5.028 4.340 -0.000 0.000 0.298 367 R C -0.241 176.044 176.300 -0.024 0.000 0.961 367 R CA -0.704 55.392 56.100 -0.006 0.000 0.881 367 R CB 1.787 32.088 30.300 0.002 0.000 1.159 367 R HN 0.557 nan 8.270 nan 0.000 0.450 368 V N 3.853 123.752 119.914 -0.025 0.000 2.732 368 V HA 0.195 4.315 4.120 -0.000 0.000 0.297 368 V C 0.083 176.148 176.094 -0.048 0.000 1.060 368 V CA -0.334 61.938 62.300 -0.047 0.000 1.038 368 V CB 1.284 33.081 31.823 -0.044 0.000 1.003 368 V HN 0.751 nan 8.190 nan 0.000 0.481 369 N N 3.702 122.362 118.700 -0.068 0.000 2.685 369 N HA 0.304 5.044 4.740 -0.000 0.000 0.252 369 N C 0.003 175.478 175.510 -0.060 0.000 1.261 369 N CA -0.321 52.694 53.050 -0.058 0.000 0.768 369 N CB 1.238 39.686 38.487 -0.065 0.000 1.304 369 N HN 0.651 nan 8.380 nan 0.000 0.536 370 M N 1.027 120.603 119.600 -0.041 0.000 2.696 370 M HA 0.111 4.591 4.480 -0.000 0.000 0.220 370 M C 0.863 177.179 176.300 0.027 0.000 1.133 370 M CA 0.520 55.819 55.300 -0.002 0.000 1.016 370 M CB -0.132 32.470 32.600 0.004 0.000 1.740 370 M HN 0.353 nan 8.290 nan 0.000 0.502 371 N N -0.979 117.715 118.700 -0.010 0.000 2.414 371 N HA -0.009 4.731 4.740 -0.000 0.000 0.177 371 N C 1.561 177.041 175.510 -0.050 0.000 1.062 371 N CA 0.331 53.370 53.050 -0.018 0.000 0.890 371 N CB 0.457 38.925 38.487 -0.033 0.000 1.070 371 N HN 0.140 nan 8.380 nan 0.000 0.454 372 V N 1.348 121.189 119.914 -0.122 0.000 2.231 372 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 372 V C 0.721 176.623 176.094 -0.319 0.000 1.054 372 V CA 1.661 63.772 62.300 -0.315 0.000 1.015 372 V CB -0.511 30.963 31.823 -0.581 0.000 0.638 372 V HN 0.215 nan 8.190 nan 0.000 0.444 373 Y N -0.635 119.725 120.300 0.100 0.000 2.488 373 Y HA 0.325 4.875 4.550 -0.000 0.000 0.325 373 Y C 1.793 177.718 175.900 0.042 0.000 1.204 373 Y CA -0.079 58.057 58.100 0.060 0.000 1.229 373 Y CB 1.201 39.681 38.460 0.033 0.000 1.274 373 Y HN 0.071 nan 8.280 nan 0.000 0.493 374 S N -0.753 115.062 115.700 0.191 0.000 2.359 374 S HA -0.255 4.215 4.470 -0.000 0.000 0.222 374 S C 1.708 176.352 174.600 0.074 0.000 1.038 374 S CA 2.150 60.404 58.200 0.090 0.000 1.051 374 S CB -1.386 61.841 63.200 0.045 0.000 0.944 374 S HN 0.862 nan 8.310 nan 0.000 0.433 375 T N 1.647 116.215 114.554 0.024 0.000 2.680 375 T HA -0.082 4.268 4.350 -0.000 0.000 0.268 375 T C 1.972 176.751 174.700 0.131 0.000 1.033 375 T CA 1.630 63.734 62.100 0.006 0.000 1.152 375 T CB -1.478 67.296 68.868 -0.158 0.000 0.859 375 T HN 0.664 nan 8.240 nan 0.000 0.452 376 G N 1.408 110.364 108.800 0.260 0.000 2.404 376 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.215 376 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.215 376 G C 1.752 176.728 174.900 0.127 0.000 1.174 376 G CA 0.308 45.573 45.100 0.274 0.000 0.780 376 G HN 0.432 nan 8.290 nan 0.000 0.537 377 R N -0.093 120.468 120.500 0.101 0.000 2.080 377 R HA -0.082 4.258 4.340 -0.000 0.000 0.236 377 R C 2.632 178.954 176.300 0.036 0.000 1.137 377 R CA 1.433 57.564 56.100 0.052 0.000 0.943 377 R CB -0.354 29.971 30.300 0.042 0.000 0.846 377 R HN 0.192 nan 8.270 nan 0.000 0.431 378 R N 1.344 121.866 120.500 0.038 0.000 2.103 378 R HA -0.088 4.252 4.340 -0.000 0.000 0.242 378 R C 2.141 178.452 176.300 0.018 0.000 1.142 378 R CA 1.390 57.502 56.100 0.021 0.000 0.960 378 R CB -0.670 29.642 30.300 0.019 0.000 0.858 378 R HN 0.232 nan 8.270 nan 0.000 0.439 379 L N -0.347 120.899 121.223 0.039 0.000 2.093 379 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 379 L C 2.225 179.103 176.870 0.014 0.000 1.085 379 L CA 1.068 55.928 54.840 0.034 0.000 0.755 379 L CB -0.293 41.804 42.059 0.064 0.000 0.904 379 L HN 0.272 nan 8.230 nan 0.000 0.435 380 L N -0.680 120.553 121.223 0.017 0.000 2.141 380 L HA -0.249 4.091 4.340 -0.000 0.000 0.209 380 L C 2.571 179.424 176.870 -0.029 0.000 1.094 380 L CA 1.145 55.984 54.840 -0.002 0.000 0.763 380 L CB -0.338 41.724 42.059 0.005 0.000 0.908 380 L HN 0.390 nan 8.230 nan 0.000 0.437 381 Q N 0.102 119.886 119.800 -0.026 0.000 2.224 381 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 381 Q C 1.854 177.802 176.000 -0.087 0.000 0.970 381 Q CA 1.358 57.133 55.803 -0.047 0.000 0.865 381 Q CB 0.041 28.763 28.738 -0.027 0.000 0.922 381 Q HN 0.484 nan 8.270 nan 0.000 0.445 382 A N -0.608 122.167 122.820 -0.074 0.000 2.278 382 A HA 0.347 4.667 4.320 -0.000 0.000 0.212 382 A C 1.282 178.761 177.584 -0.176 0.000 1.213 382 A CA 0.631 52.608 52.037 -0.100 0.000 0.840 382 A CB -0.389 18.591 19.000 -0.034 0.000 0.866 382 A HN 0.590 nan 8.150 nan 0.000 0.489 383 G N -1.468 107.217 108.800 -0.191 0.000 2.141 383 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.231 383 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.231 383 G C 0.175 175.070 174.900 -0.009 0.000 0.984 383 G CA 0.038 45.023 45.100 -0.191 0.000 0.660 383 G HN 0.689 nan 8.290 nan 0.000 0.525 384 V N 2.353 122.267 119.914 -0.001 0.000 2.811 384 V HA 0.341 4.461 4.120 -0.000 0.000 0.302 384 V C 1.074 177.183 176.094 0.025 0.000 1.063 384 V CA -0.303 62.014 62.300 0.028 0.000 1.088 384 V CB 1.267 33.107 31.823 0.027 0.000 0.982 384 V HN 0.286 nan 8.190 nan 0.000 0.485 385 I N 6.452 127.041 120.570 0.032 0.000 2.297 385 I HA 0.325 4.495 4.170 -0.000 0.000 0.291 385 I C -2.111 174.016 176.117 0.017 0.000 1.033 385 I CA -2.580 58.734 61.300 0.024 0.000 1.253 385 I CB 0.874 38.889 38.000 0.025 0.000 1.396 385 I HN 0.412 nan 8.210 nan 0.000 0.476 386 P HA 0.116 nan 4.420 nan 0.000 0.275 386 P C -0.115 177.187 177.300 0.004 0.000 1.227 386 P CA -0.195 62.907 63.100 0.002 0.000 0.781 386 P CB 1.298 32.995 31.700 -0.005 0.000 0.906 387 C N 2.571 121.875 119.300 0.005 0.000 2.395 387 C HA 0.128 4.588 4.460 -0.000 0.000 0.315 387 C C 1.067 176.061 174.990 0.007 0.000 1.399 387 C CA -0.078 58.944 59.018 0.007 0.000 1.788 387 C CB -2.047 25.700 27.740 0.012 0.000 2.564 387 C HN 0.667 nan 8.230 nan 0.000 0.552 388 D N 2.491 122.893 120.400 0.003 0.000 3.740 388 D HA -0.231 4.408 4.640 -0.000 0.000 0.147 388 D C 0.391 176.695 176.300 0.007 0.000 0.885 388 D CA 2.397 56.400 54.000 0.005 0.000 1.051 388 D CB -0.825 39.981 40.800 0.010 0.000 0.480 388 D HN 0.594 nan 8.370 nan 0.000 0.469 389 D N 0.845 121.254 120.400 0.015 0.000 2.593 389 D HA 0.169 4.809 4.640 -0.000 0.000 0.241 389 D C 0.483 176.790 176.300 0.012 0.000 1.257 389 D CA -0.272 53.738 54.000 0.017 0.000 0.828 389 D CB -0.583 40.236 40.800 0.032 0.000 1.049 389 D HN 0.355 nan 8.370 nan 0.000 0.490 390 M N 1.368 120.975 119.600 0.012 0.000 2.217 390 M HA 0.188 4.668 4.480 -0.000 0.000 0.352 390 M C -0.345 175.960 176.300 0.008 0.000 1.376 390 M CA -0.441 54.864 55.300 0.009 0.000 1.107 390 M CB 0.759 33.370 32.600 0.019 0.000 1.723 390 M HN -0.052 nan 8.290 nan 0.000 0.461 391 L N 7.976 129.196 121.223 -0.006 0.000 2.529 391 L HA -0.038 4.302 4.340 -0.000 0.000 0.287 391 L C -1.648 175.234 176.870 0.020 0.000 1.241 391 L CA -0.895 53.948 54.840 0.005 0.000 0.857 391 L CB 0.057 42.103 42.059 -0.022 0.000 1.113 391 L HN 0.629 nan 8.230 nan 0.000 0.504 392 P HA -0.219 nan 4.420 nan 0.000 0.214 392 P C 1.148 178.443 177.300 -0.010 0.000 1.163 392 P CA 1.270 64.460 63.100 0.151 0.000 0.889 392 P CB 0.010 31.927 31.700 0.361 0.000 0.790 393 E N -0.134 120.088 120.200 0.037 0.000 2.209 393 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 393 E C 2.097 178.553 176.600 -0.239 0.000 0.993 393 E CA 1.155 57.433 56.400 -0.203 0.000 0.819 393 E CB -1.581 27.780 29.700 -0.566 0.000 0.745 393 E HN 0.229 nan 8.360 nan 0.000 0.477 394 V N 0.926 120.737 119.914 -0.172 0.000 2.649 394 V HA 0.083 4.203 4.120 -0.000 0.000 0.248 394 V C 2.305 178.392 176.094 -0.012 0.000 1.054 394 V CA 1.508 63.736 62.300 -0.120 0.000 1.073 394 V CB -0.148 31.607 31.823 -0.113 0.000 0.699 394 V HN 0.283 nan 8.190 nan 0.000 0.463 395 A N -0.582 122.213 122.820 -0.042 0.000 1.930 395 A HA -0.196 4.123 4.320 -0.000 0.000 0.217 395 A C 2.136 179.670 177.584 -0.082 0.000 1.175 395 A CA 2.018 54.034 52.037 -0.035 0.000 0.627 395 A CB -0.901 18.086 19.000 -0.021 0.000 0.815 395 A HN 0.851 nan 8.150 nan 0.000 0.443 396 Y N 0.515 120.629 120.300 -0.310 0.000 2.133 396 Y HA -0.127 4.423 4.550 -0.000 0.000 0.287 396 Y C 2.236 178.106 175.900 -0.051 0.000 1.134 396 Y CA 1.846 59.739 58.100 -0.346 0.000 1.133 396 Y CB -0.528 37.391 38.460 -0.902 0.000 0.987 396 Y HN 0.029 nan 8.280 nan 0.000 0.502 397 V N 1.267 121.024 119.914 -0.262 0.000 2.407 397 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 397 V C 2.486 178.536 176.094 -0.072 0.000 1.055 397 V CA 2.311 64.432 62.300 -0.299 0.000 1.049 397 V CB -0.673 30.933 31.823 -0.362 0.000 0.662 397 V HN 0.366 nan 8.190 nan 0.000 0.455 398 K N -0.624 119.801 120.400 0.042 0.000 2.057 398 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 398 K C 2.205 178.749 176.600 -0.094 0.000 1.050 398 K CA 1.818 58.037 56.287 -0.114 0.000 0.935 398 K CB -0.183 32.161 32.500 -0.260 0.000 0.715 398 K HN 0.319 nan 8.250 nan 0.000 0.439 399 M N 0.932 120.472 119.600 -0.100 0.000 2.106 399 M HA -0.224 4.256 4.480 -0.000 0.000 0.259 399 M C 2.023 178.307 176.300 -0.027 0.000 1.068 399 M CA 1.692 56.956 55.300 -0.061 0.000 1.100 399 M CB -0.467 32.103 32.600 -0.051 0.000 1.351 399 M HN 0.254 nan 8.290 nan 0.000 0.404 400 C N -1.009 118.258 119.300 -0.056 0.000 2.413 400 C HA -0.208 4.252 4.460 -0.000 0.000 0.277 400 C C 2.360 177.440 174.990 0.151 0.000 1.228 400 C CA 1.075 60.125 59.018 0.052 0.000 1.731 400 C CB -1.761 26.065 27.740 0.143 0.000 2.042 400 C HN 0.869 nan 8.230 nan 0.000 0.468 401 W N 1.267 122.553 121.300 -0.022 0.000 2.353 401 W HA -0.164 4.496 4.660 -0.000 0.000 0.319 401 W C 2.297 178.770 176.519 -0.076 0.000 1.207 401 W CA 2.071 59.402 57.345 -0.022 0.000 1.291 401 W CB -0.815 28.616 29.460 -0.049 0.000 1.159 401 W HN 0.098 nan 8.180 nan 0.000 0.478 402 V N 1.458 121.396 119.914 0.040 0.000 2.252 402 V HA -0.354 3.766 4.120 -0.000 0.000 0.249 402 V C 2.299 178.270 176.094 -0.204 0.000 1.056 402 V CA 2.136 64.326 62.300 -0.184 0.000 1.022 402 V CB -1.223 30.566 31.823 -0.057 0.000 0.641 402 V HN 0.248 nan 8.190 nan 0.000 0.445 403 L N 0.408 121.570 121.223 -0.102 0.000 2.633 403 L HA 0.011 4.351 4.340 -0.000 0.000 0.235 403 L C 2.055 178.861 176.870 -0.108 0.000 1.163 403 L CA 0.964 55.754 54.840 -0.084 0.000 0.859 403 L CB -0.752 41.291 42.059 -0.027 0.000 0.973 403 L HN 0.495 nan 8.230 nan 0.000 0.451 404 G N -1.519 107.182 108.800 -0.165 0.000 3.126 404 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.224 404 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.224 404 G C 1.219 175.946 174.900 -0.287 0.000 1.142 404 G CA -0.081 44.915 45.100 -0.173 0.000 0.759 404 G HN 0.202 nan 8.290 nan 0.000 0.550 405 Q N -0.391 119.175 119.800 -0.391 0.000 2.246 405 Q HA 0.292 4.632 4.340 -0.000 0.000 0.222 405 Q C 0.622 176.462 176.000 -0.267 0.000 0.851 405 Q CA 0.344 55.891 55.803 -0.427 0.000 0.945 405 Q CB 1.234 29.539 28.738 -0.722 0.000 1.122 405 Q HN 0.379 nan 8.270 nan 0.000 0.508 406 T N -1.683 112.748 114.554 -0.205 0.000 2.700 406 T HA 0.327 4.676 4.350 -0.000 0.000 0.307 406 T C -1.395 173.241 174.700 -0.106 0.000 1.580 406 T CA -0.107 61.908 62.100 -0.140 0.000 0.992 406 T CB 0.691 69.480 68.868 -0.133 0.000 1.577 406 T HN 0.085 nan 8.240 nan 0.000 0.496 407 D N -0.434 119.917 120.400 -0.082 0.000 2.525 407 D HA 0.211 4.851 4.640 -0.000 0.000 0.231 407 D C -0.194 176.071 176.300 -0.060 0.000 1.216 407 D CA -0.296 53.665 54.000 -0.066 0.000 0.813 407 D CB 0.215 40.979 40.800 -0.059 0.000 1.108 407 D HN 0.431 nan 8.370 nan 0.000 0.524 408 D N 1.435 121.798 120.400 -0.062 0.000 2.338 408 D HA 0.109 4.749 4.640 -0.000 0.000 0.255 408 D C -1.422 174.846 176.300 -0.053 0.000 1.237 408 D CA -1.861 52.106 54.000 -0.055 0.000 0.883 408 D CB 1.822 42.591 40.800 -0.051 0.000 1.087 408 D HN -0.112 nan 8.370 nan 0.000 0.485 409 P HA -0.156 nan 4.420 nan 0.000 0.213 409 P C 0.986 178.266 177.300 -0.034 0.000 1.170 409 P CA 1.325 64.393 63.100 -0.054 0.000 0.902 409 P CB 0.306 31.953 31.700 -0.089 0.000 0.789 410 E N -1.229 118.953 120.200 -0.029 0.000 2.070 410 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 410 E C 1.957 178.549 176.600 -0.014 0.000 1.004 410 E CA 1.472 57.868 56.400 -0.008 0.000 0.805 410 E CB -0.583 29.114 29.700 -0.004 0.000 0.744 410 E HN 0.108 nan 8.360 nan 0.000 0.451 411 M N 1.033 120.617 119.600 -0.028 0.000 2.108 411 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 411 M C 2.082 178.359 176.300 -0.038 0.000 1.066 411 M CA 1.986 57.265 55.300 -0.035 0.000 1.107 411 M CB -0.483 32.088 32.600 -0.049 0.000 1.356 411 M HN 0.081 nan 8.290 nan 0.000 0.406 412 A N 0.360 123.154 122.820 -0.042 0.000 1.902 412 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 412 A C 2.213 179.784 177.584 -0.022 0.000 1.181 412 A CA 2.201 54.213 52.037 -0.042 0.000 0.623 412 A CB -0.843 18.133 19.000 -0.040 0.000 0.818 412 A HN 0.728 nan 8.150 nan 0.000 0.443 413 R N 0.137 120.632 120.500 -0.008 0.000 2.120 413 R HA -0.115 4.224 4.340 -0.000 0.000 0.234 413 R C 1.640 177.940 176.300 -0.000 0.000 1.123 413 R CA 1.924 58.027 56.100 0.005 0.000 0.975 413 R CB -0.495 29.819 30.300 0.024 0.000 0.866 413 R HN 0.592 nan 8.270 nan 0.000 0.446 414 E N 0.385 120.582 120.200 -0.005 0.000 2.107 414 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 414 E C 2.098 178.694 176.600 -0.007 0.000 0.982 414 E CA 1.440 57.837 56.400 -0.004 0.000 0.809 414 E CB -0.055 29.641 29.700 -0.006 0.000 0.756 414 E HN 0.448 nan 8.360 nan 0.000 0.459 415 M N -0.125 119.466 119.600 -0.014 0.000 2.200 415 M HA -0.099 4.381 4.480 -0.000 0.000 0.265 415 M C 2.256 178.544 176.300 -0.021 0.000 1.066 415 M CA 0.873 56.168 55.300 -0.008 0.000 1.127 415 M CB -0.094 32.494 32.600 -0.019 0.000 1.379 415 M HN 0.149 nan 8.290 nan 0.000 0.420 416 M N -0.120 119.463 119.600 -0.029 0.000 2.065 416 M HA -0.190 4.290 4.480 -0.000 0.000 0.259 416 M C 2.170 178.453 176.300 -0.029 0.000 1.069 416 M CA 1.847 57.122 55.300 -0.041 0.000 1.110 416 M CB -1.202 31.384 32.600 -0.024 0.000 1.328 416 M HN 0.098 nan 8.290 nan 0.000 0.405 417 R N 1.099 121.592 120.500 -0.012 0.000 2.193 417 R HA -0.089 4.251 4.340 -0.000 0.000 0.229 417 R C 0.385 176.684 176.300 -0.001 0.000 1.110 417 R CA 0.554 56.652 56.100 -0.004 0.000 0.988 417 R CB -0.499 29.802 30.300 0.001 0.000 0.871 417 R HN 0.401 nan 8.270 nan 0.000 0.458 418 E N 0.568 120.766 120.200 -0.003 0.000 2.217 418 E HA -0.032 4.318 4.350 -0.000 0.000 0.279 418 E C -0.852 175.752 176.600 0.007 0.000 1.068 418 E CA -0.267 56.137 56.400 0.006 0.000 0.882 418 E CB 0.256 29.964 29.700 0.013 0.000 1.039 418 E HN 0.062 nan 8.360 nan 0.000 0.418 419 N N 4.848 123.558 118.700 0.017 0.000 2.406 419 N HA 0.028 4.768 4.740 -0.000 0.000 0.265 419 N C 0.087 175.617 175.510 0.033 0.000 1.203 419 N CA 0.310 53.377 53.050 0.027 0.000 0.945 419 N CB 0.319 38.822 38.487 0.027 0.000 1.165 419 N HN 0.663 nan 8.380 nan 0.000 0.485 420 I N 1.970 122.565 120.570 0.041 0.000 2.731 420 I HA 0.093 4.263 4.170 -0.000 0.000 0.260 420 I C 1.284 177.433 176.117 0.052 0.000 1.138 420 I CA 0.504 61.828 61.300 0.040 0.000 1.461 420 I CB 0.181 38.170 38.000 -0.017 0.000 1.128 420 I HN 0.630 nan 8.210 nan 0.000 0.438 421 A N -0.452 122.417 122.820 0.082 0.000 2.635 421 A HA 0.562 4.882 4.320 -0.000 0.000 0.279 421 A C 1.119 178.696 177.584 -0.012 0.000 1.122 421 A CA 0.446 52.491 52.037 0.013 0.000 0.965 421 A CB 0.382 19.347 19.000 -0.059 0.000 1.221 421 A HN 0.429 nan 8.150 nan 0.000 0.566 422 G N 0.165 108.975 108.800 0.017 0.000 2.168 422 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.197 422 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.197 422 G C 0.421 175.317 174.900 -0.006 0.000 0.997 422 G CA 0.507 45.607 45.100 0.001 0.000 0.658 422 G HN 0.446 nan 8.290 nan 0.000 0.513 423 E N 0.023 120.238 120.200 0.026 0.000 2.160 423 E HA 0.097 4.447 4.350 -0.000 0.000 0.195 423 E C 1.252 177.864 176.600 0.020 0.000 0.991 423 E CA 1.252 57.670 56.400 0.031 0.000 0.810 423 E CB 0.102 29.890 29.700 0.146 0.000 0.742 423 E HN 0.729 nan 8.360 nan 0.000 0.466 424 I N 0.893 121.480 120.570 0.027 0.000 2.474 424 I HA 0.272 4.442 4.170 -0.000 0.000 0.294 424 I C -0.366 175.769 176.117 0.029 0.000 1.005 424 I CA -0.941 60.374 61.300 0.025 0.000 1.113 424 I CB 1.500 39.515 38.000 0.025 0.000 1.289 424 I HN -0.096 nan 8.210 nan 0.000 0.436 425 N N 4.334 123.058 118.700 0.041 0.000 2.417 425 N HA 0.208 4.948 4.740 -0.000 0.000 0.274 425 N C 0.555 176.103 175.510 0.062 0.000 0.987 425 N CA -0.258 52.832 53.050 0.066 0.000 0.912 425 N CB 2.091 40.644 38.487 0.109 0.000 1.177 425 N HN 0.614 nan 8.380 nan 0.000 0.490 426 E N 1.494 121.724 120.200 0.050 0.000 2.118 426 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 426 E C 0.096 176.717 176.600 0.034 0.000 0.992 426 E CA 1.198 57.618 56.400 0.034 0.000 0.804 426 E CB 0.272 29.986 29.700 0.024 0.000 0.741 426 E HN 0.569 nan 8.360 nan 0.000 0.458 427 R N 0.032 120.560 120.500 0.046 0.000 2.807 427 R HA 0.405 4.745 4.340 -0.000 0.000 0.276 427 R C -0.977 175.353 176.300 0.050 0.000 0.979 427 R CA -0.768 55.348 56.100 0.026 0.000 0.928 427 R CB 1.231 31.527 30.300 -0.006 0.000 1.191 427 R HN -0.230 nan 8.270 nan 0.000 0.471 428 T N -0.746 113.811 114.554 0.004 0.000 2.788 428 T HA 0.257 4.607 4.350 -0.000 0.000 0.296 428 T C 0.102 174.650 174.700 -0.255 0.000 1.009 428 T CA -0.819 61.273 62.100 -0.013 0.000 0.949 428 T CB 1.306 70.222 68.868 0.080 0.000 0.946 428 T HN 0.613 nan 8.240 nan 0.000 0.453 429 S N 2.903 118.156 115.700 -0.745 0.000 2.592 429 S HA 0.293 4.763 4.470 -0.000 0.000 0.271 429 S C 1.440 175.774 174.600 -0.444 0.000 1.326 429 S CA -0.897 56.908 58.200 -0.658 0.000 1.024 429 S CB 0.016 62.708 63.200 -0.847 0.000 0.921 429 S HN 0.667 nan 8.310 nan 0.000 0.527 430 I N 2.989 123.434 120.570 -0.209 0.000 2.454 430 I HA -0.127 4.043 4.170 -0.000 0.000 0.254 430 I C 2.486 178.596 176.117 -0.011 0.000 1.156 430 I CA 1.224 62.485 61.300 -0.065 0.000 1.433 430 I CB -0.561 37.419 38.000 -0.032 0.000 1.082 430 I HN 0.829 nan 8.210 nan 0.000 0.432 431 A N -0.244 122.534 122.820 -0.070 0.000 2.216 431 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 431 A C 1.861 179.591 177.584 0.244 0.000 1.160 431 A CA 0.828 52.899 52.037 0.057 0.000 0.725 431 A CB -0.810 18.219 19.000 0.048 0.000 0.784 431 A HN 0.556 nan 8.150 nan 0.000 0.472 432 Y N -3.167 117.180 120.300 0.080 0.000 2.490 432 Y HA 0.160 4.710 4.550 -0.000 0.000 0.281 432 Y C 0.313 176.330 175.900 0.196 0.000 1.174 432 Y CA -0.325 57.837 58.100 0.103 0.000 1.295 432 Y CB 0.278 38.794 38.460 0.093 0.000 1.062 432 Y HN 0.337 nan 8.280 nan 0.000 0.522 433 F N 1.487 121.528 119.950 0.152 0.000 2.769 433 F HA 0.348 4.875 4.527 -0.000 0.000 0.358 433 F C 0.775 176.611 175.800 0.060 0.000 1.285 433 F CA -1.580 56.474 58.000 0.089 0.000 1.199 433 F CB 0.011 39.056 39.000 0.074 0.000 1.558 433 F HN -0.190 nan 8.300 nan 0.000 0.583 434 R N 1.423 121.812 120.500 -0.185 0.000 2.061 434 R HA 0.261 4.601 4.340 -0.000 0.000 0.230 434 R C 0.957 177.085 176.300 -0.288 0.000 1.140 434 R CA 0.915 56.919 56.100 -0.161 0.000 0.940 434 R CB -0.646 29.595 30.300 -0.098 0.000 0.839 434 R HN 0.591 nan 8.270 nan 0.000 0.429 435 G N 0.000 108.526 108.800 -0.456 0.000 5.446 435 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 435 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 435 G CA 0.000 44.851 45.100 -0.415 0.000 0.502 435 G HN 0.000 nan 8.290 nan 0.000 0.925