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 1gz3_1_B DATA FIRST_RESID 20 DATA SEQUENCE HIKEKGKPLM LNPRTNKGMA FTLQERQMLG LQGLLPPKIE TQDIQALRFH DATA SEQUENCE RNLKKMTSPL EKYIYIMGIQ ERNEKLFYRI LQDDIESLMP IVYTPTVGLA DATA SEQUENCE CSQYGHIFRR PKGLFISISD RGHVRSIVDN WPENHVKAVV VTDGERILGL DATA SEQUENCE GDLGVYGMGI PVGKLCLYTA CAGIRPDQCL PVCIDVGTDN IALLKDPFYM DATA SEQUENCE GLYQKRDRTQ QYDDLIDEFM KAITDRYGRN TLIQFEDFGN HNAFRFLRKY DATA SEQUENCE REKYCTFNDD IQGTAAVALA GLLAAQKVIS KPISEHKILF LGAGEAALGI DATA SEQUENCE ANLIVMSMVE NGLSEQEAQK KIWMFDKYGL LVKGRKAKID SYQEPFTHSA DATA SEQUENCE PESIPDTFED AVNILKPSTI IGVAGAGRLF TPDVIRAMAS INERPVIFAL DATA SEQUENCE SNPTAQAECT AEEAYTLTEG RCLFASGSPF GPVKLTDGRV FTPGQGNNVY DATA SEQUENCE IFPGVALAVI LCNTRHISDS VFLEAAKALT SQLTDEELAQ GRLYPPLANI DATA SEQUENCE QEVSINIAIK VTEYLYANKM AFVYPEPEDK AKYVKEQTWR SEYDSLLPDV DATA SEQUENCE YEWP 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 20 H HA 0.000 nan 4.556 nan 0.000 0.296 20 H C 0.000 175.353 175.328 0.042 0.000 0.993 20 H CA 0.000 56.073 56.048 0.042 0.000 1.023 20 H CB 0.000 29.783 29.762 0.036 0.000 1.292 21 I N 4.152 124.513 120.570 -0.349 0.000 2.769 21 I HA 0.283 4.452 4.170 -0.002 0.000 0.298 21 I C 0.423 176.366 176.117 -0.288 0.000 1.128 21 I CA -0.452 60.764 61.300 -0.141 0.000 1.031 21 I CB 1.828 39.806 38.000 -0.037 0.000 1.235 21 I HN 0.525 nan 8.210 nan 0.000 0.423 22 K N 2.846 123.206 120.400 -0.067 0.000 2.243 22 K HA 0.192 4.511 4.320 -0.002 0.000 0.201 22 K C 0.051 176.624 176.600 -0.045 0.000 1.051 22 K CA 0.756 57.024 56.287 -0.033 0.000 0.970 22 K CB 0.245 32.781 32.500 0.060 0.000 0.755 22 K HN 0.549 nan 8.250 nan 0.000 0.465 23 E N 1.658 121.836 120.200 -0.038 0.000 2.313 23 E HA 0.097 4.445 4.350 -0.002 0.000 0.272 23 E C -0.100 176.468 176.600 -0.054 0.000 1.038 23 E CA -0.064 56.314 56.400 -0.036 0.000 0.863 23 E CB 1.570 31.257 29.700 -0.021 0.000 1.060 23 E HN 0.179 nan 8.360 nan 0.000 0.402 24 K N -0.602 119.762 120.400 -0.059 0.000 2.466 24 K HA 0.705 5.024 4.320 -0.002 0.000 0.260 24 K C 0.242 176.792 176.600 -0.085 0.000 1.011 24 K CA -0.352 55.888 56.287 -0.080 0.000 0.871 24 K CB 1.553 34.005 32.500 -0.080 0.000 1.404 24 K HN 0.561 nan 8.250 nan 0.000 0.450 25 G N 1.478 110.209 108.800 -0.116 0.000 2.698 25 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.233 25 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.233 25 G C 0.407 175.241 174.900 -0.111 0.000 1.352 25 G CA 0.501 45.534 45.100 -0.113 0.000 0.879 25 G HN 0.874 nan 8.290 nan 0.000 0.567 26 K N 0.899 121.247 120.400 -0.087 0.000 2.148 26 K HA -0.150 4.169 4.320 -0.002 0.000 0.213 26 K C 0.134 176.706 176.600 -0.046 0.000 1.050 26 K CA 3.051 59.298 56.287 -0.066 0.000 0.932 26 K CB -1.238 31.234 32.500 -0.047 0.000 0.717 26 K HN 0.349 nan 8.250 nan 0.000 0.462 27 P HA -0.161 nan 4.420 nan 0.000 0.217 27 P C 0.969 178.266 177.300 -0.004 0.000 1.148 27 P CA 1.174 64.260 63.100 -0.023 0.000 0.828 27 P CB 0.015 31.699 31.700 -0.026 0.000 0.783 28 L N -2.383 118.832 121.223 -0.014 0.000 2.141 28 L HA -0.126 4.213 4.340 -0.002 0.000 0.209 28 L C 2.335 179.284 176.870 0.132 0.000 1.094 28 L CA 1.419 56.287 54.840 0.046 0.000 0.763 28 L CB -0.572 41.476 42.059 -0.019 0.000 0.908 28 L HN 0.044 nan 8.230 nan 0.000 0.437 29 M N -1.224 118.417 119.600 0.067 0.000 2.394 29 M HA -0.068 4.411 4.480 -0.002 0.000 0.266 29 M C 2.039 178.382 176.300 0.071 0.000 1.098 29 M CA 1.124 56.497 55.300 0.121 0.000 1.149 29 M CB 0.025 32.661 32.600 0.060 0.000 1.369 29 M HN 0.173 nan 8.290 nan 0.000 0.450 30 L N -0.126 121.115 121.223 0.030 0.000 2.291 30 L HA -0.046 4.293 4.340 -0.002 0.000 0.214 30 L C 1.035 177.909 176.870 0.006 0.000 1.120 30 L CA 0.246 55.092 54.840 0.009 0.000 0.799 30 L CB -0.567 41.488 42.059 -0.007 0.000 0.925 30 L HN 0.277 nan 8.230 nan 0.000 0.446 31 N N 1.094 119.805 118.700 0.019 0.000 2.420 31 N HA 0.101 4.839 4.740 -0.002 0.000 0.249 31 N C -1.676 173.851 175.510 0.029 0.000 1.033 31 N CA -2.035 51.020 53.050 0.010 0.000 0.944 31 N CB 1.509 40.003 38.487 0.011 0.000 1.113 31 N HN -0.113 nan 8.380 nan 0.000 0.502 32 P HA -0.149 nan 4.420 nan 0.000 0.221 32 P C 1.082 178.416 177.300 0.056 0.000 1.145 32 P CA 0.834 63.945 63.100 0.017 0.000 0.795 32 P CB 0.585 32.266 31.700 -0.031 0.000 0.775 33 R N 0.715 121.246 120.500 0.052 0.000 2.092 33 R HA -0.076 4.263 4.340 -0.002 0.000 0.231 33 R C 2.229 178.602 176.300 0.122 0.000 1.119 33 R CA 2.376 58.529 56.100 0.088 0.000 0.970 33 R CB -1.093 29.239 30.300 0.053 0.000 0.864 33 R HN 0.292 nan 8.270 nan 0.000 0.440 34 T N -3.238 111.378 114.554 0.103 0.000 3.023 34 T HA 0.111 4.460 4.350 -0.002 0.000 0.249 34 T C 0.648 175.404 174.700 0.093 0.000 1.050 34 T CA -0.166 62.004 62.100 0.118 0.000 1.088 34 T CB -0.393 68.556 68.868 0.136 0.000 0.946 34 T HN 0.101 nan 8.240 nan 0.000 0.480 35 N N 2.028 120.792 118.700 0.107 0.000 2.359 35 N HA 0.043 4.782 4.740 -0.002 0.000 0.261 35 N C 0.466 175.864 175.510 -0.187 0.000 1.267 35 N CA 0.384 53.484 53.050 0.083 0.000 0.864 35 N CB 0.530 39.083 38.487 0.110 0.000 1.063 35 N HN 0.374 nan 8.380 nan 0.000 0.474 36 K N 2.280 122.255 120.400 -0.707 0.000 2.374 36 K HA 0.219 4.537 4.320 -0.002 0.000 0.202 36 K C 1.047 177.350 176.600 -0.495 0.000 1.040 36 K CA 0.112 55.853 56.287 -0.911 0.000 1.085 36 K CB 0.331 31.803 32.500 -1.712 0.000 0.873 36 K HN 0.788 nan 8.250 nan 0.000 0.539 37 G N 2.328 111.035 108.800 -0.156 0.000 2.564 37 G HA2 -0.381 3.578 3.960 -0.002 0.000 0.273 37 G HA3 -0.381 3.578 3.960 -0.002 0.000 0.273 37 G C 0.632 175.560 174.900 0.048 0.000 1.242 37 G CA 0.275 45.389 45.100 0.025 0.000 0.951 37 G HN 0.198 nan 8.290 nan 0.000 0.564 38 M N 1.511 121.131 119.600 0.035 0.000 2.700 38 M HA 0.133 4.612 4.480 -0.002 0.000 0.249 38 M C 2.509 178.803 176.300 -0.011 0.000 1.082 38 M CA 1.259 56.585 55.300 0.043 0.000 1.077 38 M CB -0.211 32.414 32.600 0.041 0.000 1.477 38 M HN 0.719 nan 8.290 nan 0.000 0.529 39 A N -0.206 122.526 122.820 -0.148 0.000 2.208 39 A HA 0.108 4.426 4.320 -0.002 0.000 0.209 39 A C 0.480 177.888 177.584 -0.293 0.000 1.161 39 A CA -0.091 51.790 52.037 -0.260 0.000 0.782 39 A CB -0.434 18.250 19.000 -0.526 0.000 0.816 39 A HN 0.349 nan 8.150 nan 0.000 0.477 40 F N 2.076 121.908 119.950 -0.198 0.000 2.578 40 F HA 0.149 4.675 4.527 -0.002 0.000 0.381 40 F C 1.682 177.424 175.800 -0.096 0.000 1.069 40 F CA 0.627 58.536 58.000 -0.153 0.000 1.231 40 F CB 0.689 39.622 39.000 -0.111 0.000 1.086 40 F HN 0.199 nan 8.300 nan 0.000 0.564 41 T N 1.978 116.604 114.554 0.121 0.000 2.813 41 T HA 0.076 4.425 4.350 -0.002 0.000 0.297 41 T C 1.049 175.785 174.700 0.060 0.000 1.036 41 T CA -0.927 61.212 62.100 0.063 0.000 1.044 41 T CB 0.991 69.884 68.868 0.042 0.000 0.993 41 T HN 0.581 nan 8.240 nan 0.000 0.535 42 L N 0.753 121.996 121.223 0.032 0.000 2.012 42 L HA -0.073 4.266 4.340 -0.002 0.000 0.210 42 L C 2.879 179.752 176.870 0.005 0.000 1.073 42 L CA 1.958 56.806 54.840 0.015 0.000 0.748 42 L CB -1.188 40.877 42.059 0.009 0.000 0.891 42 L HN 0.943 nan 8.230 nan 0.000 0.431 43 Q N -0.754 119.053 119.800 0.011 0.000 2.084 43 Q HA -0.235 4.103 4.340 -0.002 0.000 0.202 43 Q C 2.095 178.095 176.000 -0.000 0.000 0.978 43 Q CA 2.049 57.855 55.803 0.004 0.000 0.844 43 Q CB -0.053 28.692 28.738 0.011 0.000 0.898 43 Q HN 0.666 nan 8.270 nan 0.000 0.426 44 E N -0.157 120.057 120.200 0.023 0.000 2.077 44 E HA -0.202 4.147 4.350 -0.002 0.000 0.193 44 E C 2.106 178.673 176.600 -0.056 0.000 0.989 44 E CA 0.943 57.358 56.400 0.024 0.000 0.800 44 E CB -0.022 29.759 29.700 0.134 0.000 0.746 44 E HN 0.296 nan 8.360 nan 0.000 0.452 45 R N 0.863 121.323 120.500 -0.065 0.000 2.073 45 R HA -0.163 4.176 4.340 -0.002 0.000 0.234 45 R C 2.481 178.714 176.300 -0.111 0.000 1.134 45 R CA 1.522 57.538 56.100 -0.140 0.000 0.952 45 R CB -0.275 29.971 30.300 -0.091 0.000 0.850 45 R HN 0.254 nan 8.270 nan 0.000 0.433 46 Q N 0.153 119.913 119.800 -0.067 0.000 2.050 46 Q HA -0.112 4.227 4.340 -0.002 0.000 0.202 46 Q C 2.205 178.168 176.000 -0.062 0.000 0.980 46 Q CA 1.467 57.235 55.803 -0.058 0.000 0.840 46 Q CB -0.079 28.636 28.738 -0.038 0.000 0.898 46 Q HN 0.367 nan 8.270 nan 0.000 0.424 47 M N 0.129 119.695 119.600 -0.057 0.000 2.254 47 M HA -0.085 4.394 4.480 -0.002 0.000 0.265 47 M C 1.566 177.822 176.300 -0.074 0.000 1.066 47 M CA 1.132 56.398 55.300 -0.056 0.000 1.123 47 M CB 0.133 32.709 32.600 -0.041 0.000 1.388 47 M HN 0.178 nan 8.290 nan 0.000 0.425 48 L N -0.588 120.576 121.223 -0.098 0.000 2.611 48 L HA 0.233 4.572 4.340 -0.002 0.000 0.229 48 L C 0.997 177.782 176.870 -0.141 0.000 1.137 48 L CA -0.067 54.699 54.840 -0.124 0.000 0.901 48 L CB -0.374 41.592 42.059 -0.155 0.000 1.098 48 L HN 0.557 nan 8.230 nan 0.000 0.456 49 G N 0.647 109.372 108.800 -0.124 0.000 2.198 49 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.257 49 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.257 49 G C 0.546 175.360 174.900 -0.142 0.000 1.042 49 G CA 0.267 45.298 45.100 -0.114 0.000 0.791 49 G HN 0.378 nan 8.290 nan 0.000 0.502 50 L N -0.891 120.221 121.223 -0.185 0.000 2.590 50 L HA 0.241 4.580 4.340 -0.002 0.000 0.227 50 L C 1.352 178.135 176.870 -0.145 0.000 1.099 50 L CA -0.336 54.372 54.840 -0.219 0.000 0.872 50 L CB -0.048 41.769 42.059 -0.404 0.000 1.088 50 L HN 0.160 nan 8.230 nan 0.000 0.479 51 Q N 1.304 121.039 119.800 -0.109 0.000 2.269 51 Q HA 0.058 4.396 4.340 -0.002 0.000 0.300 51 Q C 1.243 177.208 176.000 -0.059 0.000 1.070 51 Q CA 1.421 57.181 55.803 -0.071 0.000 0.957 51 Q CB 0.646 29.351 28.738 -0.056 0.000 1.131 51 Q HN 0.481 nan 8.270 nan 0.000 0.377 52 G N 2.589 111.362 108.800 -0.045 0.000 2.268 52 G HA2 -0.279 3.679 3.960 -0.002 0.000 0.240 52 G HA3 -0.279 3.679 3.960 -0.002 0.000 0.240 52 G C 0.671 175.549 174.900 -0.036 0.000 1.010 52 G CA 0.303 45.382 45.100 -0.035 0.000 0.618 52 G HN 0.547 nan 8.290 nan 0.000 0.516 53 L N 0.281 121.474 121.223 -0.050 0.000 2.558 53 L HA 0.476 4.814 4.340 -0.002 0.000 0.225 53 L C 0.960 177.813 176.870 -0.029 0.000 1.128 53 L CA 0.352 55.164 54.840 -0.046 0.000 0.868 53 L CB 0.006 42.022 42.059 -0.071 0.000 1.006 53 L HN 0.194 nan 8.230 nan 0.000 0.454 54 L N -0.929 120.281 121.223 -0.023 0.000 2.354 54 L HA 0.502 4.841 4.340 -0.002 0.000 0.264 54 L C -2.308 174.566 176.870 0.007 0.000 1.008 54 L CA -1.975 52.868 54.840 0.006 0.000 0.819 54 L CB 1.817 43.892 42.059 0.026 0.000 1.339 54 L HN -0.261 nan 8.230 nan 0.000 0.420 55 P HA 0.129 nan 4.420 nan 0.000 0.269 55 P C -2.120 175.188 177.300 0.014 0.000 1.215 55 P CA -0.908 62.200 63.100 0.014 0.000 0.780 55 P CB 0.129 31.841 31.700 0.019 0.000 0.898 56 P HA -0.168 nan 4.420 nan 0.000 0.218 56 P C 0.155 177.463 177.300 0.014 0.000 1.146 56 P CA 1.326 64.430 63.100 0.008 0.000 0.813 56 P CB 0.031 31.734 31.700 0.005 0.000 0.778 57 K N 0.872 121.282 120.400 0.018 0.000 2.448 57 K HA 0.068 4.387 4.320 -0.002 0.000 0.278 57 K C -0.282 176.334 176.600 0.027 0.000 1.009 57 K CA 0.477 56.777 56.287 0.022 0.000 0.995 57 K CB -0.169 32.345 32.500 0.024 0.000 0.917 57 K HN -0.123 nan 8.250 nan 0.000 0.481 58 I N 4.589 125.174 120.570 0.025 0.000 2.355 58 I HA 0.262 4.431 4.170 -0.002 0.000 0.288 58 I C 0.025 176.158 176.117 0.026 0.000 0.999 58 I CA -0.366 60.949 61.300 0.026 0.000 1.163 58 I CB 1.142 39.156 38.000 0.023 0.000 1.316 58 I HN 0.758 nan 8.210 nan 0.000 0.454 59 E N 3.601 123.816 120.200 0.025 0.000 2.235 59 E HA 0.526 4.875 4.350 -0.002 0.000 0.265 59 E C -0.148 176.479 176.600 0.045 0.000 0.940 59 E CA -0.744 55.677 56.400 0.036 0.000 0.819 59 E CB 2.127 31.854 29.700 0.046 0.000 1.206 59 E HN 0.620 nan 8.360 nan 0.000 0.409 60 T N -2.011 112.581 114.554 0.063 0.000 2.927 60 T HA 0.084 4.433 4.350 -0.002 0.000 0.281 60 T C 0.961 175.738 174.700 0.129 0.000 0.998 60 T CA -0.641 61.512 62.100 0.087 0.000 1.019 60 T CB 1.648 70.553 68.868 0.061 0.000 1.061 60 T HN 0.523 nan 8.240 nan 0.000 0.518 61 Q N -0.129 119.771 119.800 0.166 0.000 2.170 61 Q HA -0.165 4.174 4.340 -0.002 0.000 0.203 61 Q C 1.205 177.242 176.000 0.061 0.000 0.976 61 Q CA 1.624 57.505 55.803 0.132 0.000 0.858 61 Q CB -0.156 28.542 28.738 -0.067 0.000 0.907 61 Q HN 0.723 nan 8.270 nan 0.000 0.433 62 D N 0.441 120.870 120.400 0.049 0.000 2.104 62 D HA -0.179 4.460 4.640 -0.002 0.000 0.194 62 D C 1.794 178.139 176.300 0.075 0.000 0.994 62 D CA 1.200 55.230 54.000 0.049 0.000 0.830 62 D CB -0.214 40.607 40.800 0.035 0.000 0.959 62 D HN 0.353 nan 8.370 nan 0.000 0.452 63 I N 0.648 121.262 120.570 0.074 0.000 2.226 63 I HA -0.282 3.887 4.170 -0.002 0.000 0.245 63 I C 2.442 178.618 176.117 0.098 0.000 1.100 63 I CA 1.071 62.418 61.300 0.078 0.000 1.374 63 I CB -0.255 37.784 38.000 0.065 0.000 1.057 63 I HN -0.002 nan 8.210 nan 0.000 0.413 64 Q N 0.631 120.492 119.800 0.102 0.000 2.084 64 Q HA -0.192 4.146 4.340 -0.002 0.000 0.202 64 Q C 2.508 178.584 176.000 0.127 0.000 0.978 64 Q CA 1.807 57.676 55.803 0.111 0.000 0.844 64 Q CB -0.313 28.495 28.738 0.117 0.000 0.898 64 Q HN 0.591 nan 8.270 nan 0.000 0.426 65 A N 0.983 123.875 122.820 0.119 0.000 1.902 65 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 65 A C 2.027 179.801 177.584 0.316 0.000 1.181 65 A CA 0.970 53.109 52.037 0.169 0.000 0.623 65 A CB -0.743 18.356 19.000 0.166 0.000 0.818 65 A HN 0.382 nan 8.150 nan 0.000 0.443 66 L N -0.725 120.645 121.223 0.245 0.000 2.046 66 L HA -0.208 4.130 4.340 -0.002 0.000 0.208 66 L C 2.822 179.808 176.870 0.193 0.000 1.077 66 L CA 2.065 57.044 54.840 0.230 0.000 0.747 66 L CB -0.428 41.710 42.059 0.132 0.000 0.896 66 L HN 0.569 nan 8.230 nan 0.000 0.432 67 R N -0.560 120.035 120.500 0.158 0.000 2.083 67 R HA -0.280 4.058 4.340 -0.002 0.000 0.237 67 R C 2.378 178.768 176.300 0.151 0.000 1.137 67 R CA 2.208 58.387 56.100 0.132 0.000 0.951 67 R CB -0.615 29.761 30.300 0.127 0.000 0.851 67 R HN 0.332 nan 8.270 nan 0.000 0.434 68 F N 1.007 120.980 119.950 0.038 0.000 2.075 68 F HA -0.212 4.314 4.527 -0.003 0.000 0.297 68 F C 1.875 177.665 175.800 -0.016 0.000 1.113 68 F CA 2.256 60.253 58.000 -0.005 0.000 1.218 68 F CB -0.553 38.304 39.000 -0.239 0.000 0.984 68 F HN 0.156 nan 8.300 nan 0.000 0.472 69 H N -0.833 118.242 119.070 0.008 0.000 2.421 69 H HA -0.101 4.454 4.556 -0.002 0.000 0.298 69 H C 2.250 177.501 175.328 -0.128 0.000 1.087 69 H CA 1.629 57.610 56.048 -0.111 0.000 1.330 69 H CB -0.191 29.621 29.762 0.083 0.000 1.388 69 H HN 0.101 nan 8.280 nan 0.000 0.526 70 R N 0.563 121.085 120.500 0.037 0.000 2.081 70 R HA -0.076 4.263 4.340 -0.002 0.000 0.235 70 R C 1.840 178.103 176.300 -0.062 0.000 1.131 70 R CA 1.333 57.437 56.100 0.006 0.000 0.960 70 R CB -0.051 30.264 30.300 0.026 0.000 0.856 70 R HN 0.355 nan 8.270 nan 0.000 0.436 71 N N 0.031 118.668 118.700 -0.105 0.000 2.171 71 N HA -0.142 4.596 4.740 -0.002 0.000 0.184 71 N C 1.614 176.991 175.510 -0.222 0.000 1.021 71 N CA 0.879 53.828 53.050 -0.168 0.000 0.854 71 N CB -0.324 38.048 38.487 -0.192 0.000 0.994 71 N HN 0.115 nan 8.380 nan 0.000 0.426 72 L N 2.085 123.137 121.223 -0.284 0.000 2.042 72 L HA -0.109 4.229 4.340 -0.002 0.000 0.210 72 L C 1.924 178.721 176.870 -0.122 0.000 1.076 72 L CA 1.691 56.387 54.840 -0.241 0.000 0.749 72 L CB -0.335 41.433 42.059 -0.486 0.000 0.893 72 L HN -0.076 nan 8.230 nan 0.000 0.432 73 K N 0.110 120.452 120.400 -0.096 0.000 2.211 73 K HA -0.169 4.150 4.320 -0.002 0.000 0.204 73 K C 1.860 178.434 176.600 -0.043 0.000 1.047 73 K CA 1.321 57.584 56.287 -0.041 0.000 0.935 73 K CB -0.180 32.309 32.500 -0.018 0.000 0.728 73 K HN 0.478 nan 8.250 nan 0.000 0.452 74 K N -0.289 120.070 120.400 -0.068 0.000 2.444 74 K HA 0.143 4.461 4.320 -0.002 0.000 0.193 74 K C 0.766 177.327 176.600 -0.065 0.000 1.024 74 K CA 0.038 56.288 56.287 -0.063 0.000 1.077 74 K CB 0.188 32.642 32.500 -0.077 0.000 0.833 74 K HN 0.088 nan 8.250 nan 0.000 0.517 75 M N 0.147 119.706 119.600 -0.068 0.000 2.342 75 M HA 0.061 4.540 4.480 -0.002 0.000 0.332 75 M C 1.324 177.613 176.300 -0.018 0.000 1.166 75 M CA -0.096 55.173 55.300 -0.052 0.000 1.086 75 M CB 1.465 34.033 32.600 -0.053 0.000 1.541 75 M HN 0.037 nan 8.290 nan 0.000 0.462 76 T N -3.066 111.483 114.554 -0.009 0.000 3.087 76 T HA 0.107 4.455 4.350 -0.002 0.000 0.237 76 T C 0.892 175.602 174.700 0.017 0.000 0.990 76 T CA 0.154 62.256 62.100 0.004 0.000 1.160 76 T CB -0.162 68.706 68.868 -0.000 0.000 0.923 76 T HN 0.706 nan 8.240 nan 0.000 0.442 77 S N 2.554 118.266 115.700 0.020 0.000 2.565 77 S HA 0.404 4.872 4.470 -0.002 0.000 0.274 77 S C -2.017 172.614 174.600 0.051 0.000 1.309 77 S CA -1.155 57.062 58.200 0.030 0.000 1.043 77 S CB 1.358 64.573 63.200 0.025 0.000 0.939 77 S HN -0.005 nan 8.310 nan 0.000 0.504 78 P HA -0.089 nan 4.420 nan 0.000 0.216 78 P C 1.553 178.921 177.300 0.115 0.000 1.150 78 P CA 0.433 63.581 63.100 0.080 0.000 0.837 78 P CB 0.026 31.758 31.700 0.054 0.000 0.786 79 L N 0.257 121.527 121.223 0.079 0.000 2.046 79 L HA -0.147 4.192 4.340 -0.002 0.000 0.208 79 L C 2.257 179.219 176.870 0.153 0.000 1.077 79 L CA 1.881 56.776 54.840 0.091 0.000 0.747 79 L CB -1.320 40.752 42.059 0.022 0.000 0.896 79 L HN -0.029 nan 8.230 nan 0.000 0.432 80 E N -0.556 119.708 120.200 0.106 0.000 2.110 80 E HA -0.269 4.080 4.350 -0.002 0.000 0.193 80 E C 2.062 178.756 176.600 0.156 0.000 0.988 80 E CA 1.352 57.810 56.400 0.098 0.000 0.804 80 E CB -0.003 29.723 29.700 0.044 0.000 0.745 80 E HN 0.522 nan 8.360 nan 0.000 0.458 81 K N -0.470 120.033 120.400 0.173 0.000 2.097 81 K HA -0.169 4.149 4.320 -0.002 0.000 0.205 81 K C 2.106 178.863 176.600 0.263 0.000 1.050 81 K CA 1.300 57.725 56.287 0.229 0.000 0.938 81 K CB -0.311 32.299 32.500 0.183 0.000 0.718 81 K HN 0.253 nan 8.250 nan 0.000 0.442 82 Y N 1.676 122.052 120.300 0.127 0.000 2.181 82 Y HA -0.192 4.357 4.550 -0.003 0.000 0.288 82 Y C 1.826 177.789 175.900 0.106 0.000 1.146 82 Y CA 1.373 59.542 58.100 0.114 0.000 1.164 82 Y CB -0.081 38.432 38.460 0.089 0.000 0.982 82 Y HN -0.082 nan 8.280 nan 0.000 0.515 83 I N -0.800 119.937 120.570 0.278 0.000 2.226 83 I HA -0.311 3.858 4.170 -0.002 0.000 0.245 83 I C 2.157 178.331 176.117 0.095 0.000 1.100 83 I CA 1.535 62.924 61.300 0.150 0.000 1.374 83 I CB -0.617 37.478 38.000 0.157 0.000 1.057 83 I HN 0.309 nan 8.210 nan 0.000 0.413 84 Y N 2.364 122.675 120.300 0.019 0.000 2.133 84 Y HA -0.233 4.315 4.550 -0.003 0.000 0.287 84 Y C 2.398 178.338 175.900 0.067 0.000 1.134 84 Y CA 1.789 59.912 58.100 0.039 0.000 1.133 84 Y CB -0.597 37.902 38.460 0.064 0.000 0.987 84 Y HN 0.211 nan 8.280 nan 0.000 0.502 85 I N -2.116 118.431 120.570 -0.038 0.000 2.226 85 I HA -0.251 3.918 4.170 -0.002 0.000 0.245 85 I C 1.896 177.934 176.117 -0.132 0.000 1.100 85 I CA 1.659 62.882 61.300 -0.128 0.000 1.374 85 I CB -0.614 37.386 38.000 -0.000 0.000 1.057 85 I HN 0.130 nan 8.210 nan 0.000 0.413 86 M N 1.893 121.336 119.600 -0.260 0.000 2.296 86 M HA -0.003 4.476 4.480 -0.002 0.000 0.265 86 M C 2.364 178.416 176.300 -0.413 0.000 1.064 86 M CA 1.523 56.565 55.300 -0.431 0.000 1.109 86 M CB -1.934 30.287 32.600 -0.631 0.000 1.396 86 M HN 0.512 nan 8.290 nan 0.000 0.430 87 G N 0.187 108.833 108.800 -0.257 0.000 2.422 87 G HA2 -0.126 3.833 3.960 -0.002 0.000 0.218 87 G HA3 -0.126 3.833 3.960 -0.002 0.000 0.218 87 G C 1.647 176.413 174.900 -0.224 0.000 1.140 87 G CA 0.303 45.287 45.100 -0.192 0.000 0.775 87 G HN 0.472 nan 8.290 nan 0.000 0.545 88 I N 0.267 120.684 120.570 -0.255 0.000 2.546 88 I HA -0.146 4.022 4.170 -0.002 0.000 0.255 88 I C 2.710 178.617 176.117 -0.349 0.000 1.163 88 I CA 0.934 62.103 61.300 -0.218 0.000 1.457 88 I CB -0.160 37.738 38.000 -0.170 0.000 1.092 88 I HN 0.261 nan 8.210 nan 0.000 0.434 89 Q N 1.146 120.463 119.800 -0.805 0.000 2.226 89 Q HA -0.197 4.142 4.340 -0.002 0.000 0.204 89 Q C 1.361 177.086 176.000 -0.458 0.000 0.975 89 Q CA 1.219 56.380 55.803 -1.069 0.000 0.866 89 Q CB 0.248 27.966 28.738 -1.700 0.000 0.915 89 Q HN 0.435 nan 8.270 nan 0.000 0.440 90 E N -0.480 119.516 120.200 -0.339 0.000 2.474 90 E HA 0.058 4.406 4.350 -0.002 0.000 0.195 90 E C 1.098 177.623 176.600 -0.126 0.000 1.039 90 E CA 0.120 56.400 56.400 -0.200 0.000 0.881 90 E CB 0.450 30.037 29.700 -0.189 0.000 0.970 90 E HN 0.357 nan 8.360 nan 0.000 0.486 91 R N 0.098 120.530 120.500 -0.114 0.000 2.144 91 R HA 0.150 4.489 4.340 -0.002 0.000 0.195 91 R C 0.538 176.832 176.300 -0.011 0.000 1.077 91 R CA 0.151 56.222 56.100 -0.049 0.000 1.120 91 R CB 0.427 30.707 30.300 -0.033 0.000 1.060 91 R HN -0.107 nan 8.270 nan 0.000 0.520 92 N N 1.087 119.783 118.700 -0.006 0.000 2.607 92 N HA -0.002 4.737 4.740 -0.002 0.000 0.271 92 N C -0.187 175.379 175.510 0.093 0.000 1.142 92 N CA 0.048 53.133 53.050 0.059 0.000 0.810 92 N CB 1.696 40.231 38.487 0.081 0.000 1.306 92 N HN 0.109 nan 8.380 nan 0.000 0.536 93 E N 2.372 122.649 120.200 0.129 0.000 2.058 93 E HA -0.218 4.131 4.350 -0.002 0.000 0.194 93 E C 0.805 177.646 176.600 0.402 0.000 0.997 93 E CA 1.402 57.944 56.400 0.236 0.000 0.801 93 E CB 0.340 30.185 29.700 0.241 0.000 0.746 93 E HN 0.296 nan 8.360 nan 0.000 0.450 94 K N 0.439 121.052 120.400 0.355 0.000 2.009 94 K HA -0.161 4.157 4.320 -0.002 0.000 0.210 94 K C 2.034 178.677 176.600 0.073 0.000 1.049 94 K CA 1.154 57.601 56.287 0.266 0.000 0.929 94 K CB -0.686 31.860 32.500 0.077 0.000 0.714 94 K HN 0.161 nan 8.250 nan 0.000 0.440 95 L N 0.135 121.378 121.223 0.034 0.000 2.046 95 L HA -0.102 4.237 4.340 -0.002 0.000 0.208 95 L C 2.016 178.823 176.870 -0.105 0.000 1.077 95 L CA 1.568 56.374 54.840 -0.056 0.000 0.747 95 L CB -0.729 41.338 42.059 0.015 0.000 0.896 95 L HN 0.237 nan 8.230 nan 0.000 0.432 96 F N -0.500 119.316 119.950 -0.223 0.000 2.091 96 F HA -0.304 4.222 4.527 -0.002 0.000 0.299 96 F C 2.046 177.586 175.800 -0.434 0.000 1.103 96 F CA 1.933 59.686 58.000 -0.411 0.000 1.228 96 F CB -0.739 37.982 39.000 -0.465 0.000 0.984 96 F HN 0.176 nan 8.300 nan 0.000 0.477 97 Y N -0.429 119.754 120.300 -0.195 0.000 2.395 97 Y HA -0.082 4.467 4.550 -0.002 0.000 0.293 97 Y C 2.510 178.284 175.900 -0.211 0.000 1.123 97 Y CA 0.984 58.939 58.100 -0.242 0.000 1.227 97 Y CB -0.431 38.123 38.460 0.157 0.000 1.012 97 Y HN 0.010 nan 8.280 nan 0.000 0.552 98 R N 0.946 121.396 120.500 -0.083 0.000 2.073 98 R HA -0.138 4.201 4.340 -0.002 0.000 0.234 98 R C 1.738 177.941 176.300 -0.162 0.000 1.134 98 R CA 1.655 57.679 56.100 -0.127 0.000 0.952 98 R CB -1.061 29.138 30.300 -0.169 0.000 0.850 98 R HN 0.228 nan 8.270 nan 0.000 0.433 99 I N 0.402 120.791 120.570 -0.301 0.000 2.163 99 I HA -0.212 3.957 4.170 -0.002 0.000 0.243 99 I C 1.951 177.886 176.117 -0.303 0.000 1.085 99 I CA 1.090 62.143 61.300 -0.412 0.000 1.347 99 I CB -0.571 36.851 38.000 -0.964 0.000 1.044 99 I HN 0.185 nan 8.210 nan 0.000 0.408 100 L N -0.163 120.811 121.223 -0.414 0.000 2.046 100 L HA -0.227 4.111 4.340 -0.002 0.000 0.208 100 L C 2.524 179.312 176.870 -0.137 0.000 1.077 100 L CA 1.754 56.406 54.840 -0.312 0.000 0.747 100 L CB -1.019 40.767 42.059 -0.454 0.000 0.896 100 L HN 0.388 nan 8.230 nan 0.000 0.432 101 Q N -0.914 118.824 119.800 -0.104 0.000 2.170 101 Q HA -0.219 4.120 4.340 -0.002 0.000 0.203 101 Q C 1.566 177.547 176.000 -0.032 0.000 0.976 101 Q CA 1.489 57.262 55.803 -0.050 0.000 0.858 101 Q CB 0.072 28.788 28.738 -0.038 0.000 0.907 101 Q HN 0.466 nan 8.270 nan 0.000 0.433 102 D N 0.668 121.061 120.400 -0.012 0.000 2.123 102 D HA -0.117 4.522 4.640 -0.002 0.000 0.196 102 D C 0.225 176.531 176.300 0.011 0.000 0.992 102 D CA 1.287 55.297 54.000 0.017 0.000 0.833 102 D CB 0.091 40.957 40.800 0.109 0.000 0.954 102 D HN 0.181 nan 8.370 nan 0.000 0.455 103 D N -0.948 119.476 120.400 0.039 0.000 2.823 103 D HA 0.033 4.672 4.640 -0.002 0.000 0.255 103 D C 0.796 177.113 176.300 0.027 0.000 1.257 103 D CA -0.374 53.646 54.000 0.034 0.000 0.803 103 D CB 0.004 40.840 40.800 0.062 0.000 1.384 103 D HN -0.143 nan 8.370 nan 0.000 0.541 104 I N 1.531 122.097 120.570 -0.006 0.000 2.335 104 I HA -0.146 4.023 4.170 -0.002 0.000 0.251 104 I C 1.947 178.058 176.117 -0.011 0.000 1.129 104 I CA 1.693 62.977 61.300 -0.026 0.000 1.402 104 I CB 0.064 38.033 38.000 -0.052 0.000 1.069 104 I HN 0.407 nan 8.210 nan 0.000 0.424 105 E N -0.193 120.008 120.200 0.003 0.000 2.047 105 E HA -0.222 4.127 4.350 -0.002 0.000 0.191 105 E C 2.234 178.857 176.600 0.037 0.000 0.987 105 E CA 1.581 57.991 56.400 0.016 0.000 0.799 105 E CB -0.186 29.529 29.700 0.026 0.000 0.752 105 E HN 0.633 nan 8.360 nan 0.000 0.449 106 S N -0.104 115.625 115.700 0.048 0.000 2.461 106 S HA -0.015 4.453 4.470 -0.002 0.000 0.228 106 S C 1.896 176.543 174.600 0.079 0.000 1.005 106 S CA 0.448 58.687 58.200 0.065 0.000 0.942 106 S CB -0.135 63.109 63.200 0.073 0.000 0.776 106 S HN 0.302 nan 8.310 nan 0.000 0.514 107 L N -0.317 120.952 121.223 0.075 0.000 2.416 107 L HA 0.280 4.618 4.340 -0.002 0.000 0.216 107 L C 2.507 179.426 176.870 0.082 0.000 1.098 107 L CA 0.366 55.257 54.840 0.085 0.000 0.840 107 L CB -0.443 41.653 42.059 0.062 0.000 0.981 107 L HN 0.294 nan 8.230 nan 0.000 0.462 108 M N 1.489 121.127 119.600 0.063 0.000 2.089 108 M HA -0.152 4.326 4.480 -0.002 0.000 0.257 108 M C -0.778 175.613 176.300 0.152 0.000 1.071 108 M CA 2.406 57.760 55.300 0.091 0.000 1.096 108 M CB -1.152 31.479 32.600 0.051 0.000 1.330 108 M HN -0.078 nan 8.290 nan 0.000 0.403 109 P HA -0.081 nan 4.420 nan 0.000 0.221 109 P C 1.267 178.629 177.300 0.104 0.000 1.145 109 P CA 1.368 64.517 63.100 0.081 0.000 0.795 109 P CB -0.182 31.546 31.700 0.046 0.000 0.775 110 I N -2.111 118.544 120.570 0.141 0.000 2.556 110 I HA -0.069 4.099 4.170 -0.002 0.000 0.251 110 I C 2.123 178.420 176.117 0.300 0.000 1.105 110 I CA 0.800 62.214 61.300 0.190 0.000 1.436 110 I CB -0.420 37.689 38.000 0.182 0.000 1.139 110 I HN -0.229 nan 8.210 nan 0.000 0.438 111 V N -0.460 119.612 119.914 0.264 0.000 3.235 111 V HA -0.043 4.075 4.120 -0.002 0.000 0.259 111 V C 0.633 176.960 176.094 0.388 0.000 1.133 111 V CA 0.891 63.380 62.300 0.315 0.000 1.128 111 V CB -0.043 31.878 31.823 0.162 0.000 0.757 111 V HN 0.323 nan 8.190 nan 0.000 0.469 112 Y N -0.273 120.111 120.300 0.140 0.000 3.123 112 Y HA 0.471 5.019 4.550 -0.002 0.000 0.305 112 Y C 0.756 176.691 175.900 0.057 0.000 1.560 112 Y CA -0.745 57.416 58.100 0.101 0.000 1.048 112 Y CB 1.078 39.583 38.460 0.075 0.000 1.380 112 Y HN -0.122 nan 8.280 nan 0.000 0.618 113 T N 4.144 118.430 114.554 -0.447 0.000 2.940 113 T HA 0.155 4.503 4.350 -0.002 0.000 0.309 113 T C -1.860 172.756 174.700 -0.140 0.000 1.056 113 T CA -1.049 60.844 62.100 -0.344 0.000 1.137 113 T CB 0.543 69.115 68.868 -0.493 0.000 0.976 113 T HN 0.502 nan 8.240 nan 0.000 0.547 114 P HA 0.091 nan 4.420 nan 0.000 0.234 114 P C 1.362 178.604 177.300 -0.098 0.000 1.175 114 P CA 0.406 63.429 63.100 -0.129 0.000 0.801 114 P CB 0.111 31.738 31.700 -0.122 0.000 0.891 115 T N 0.672 115.195 114.554 -0.051 0.000 2.759 115 T HA -0.125 4.224 4.350 -0.002 0.000 0.269 115 T C 1.848 176.467 174.700 -0.135 0.000 1.042 115 T CA 1.275 63.344 62.100 -0.052 0.000 1.140 115 T CB -1.079 67.812 68.868 0.038 0.000 0.864 115 T HN -0.083 nan 8.240 nan 0.000 0.455 116 V N 1.413 121.279 119.914 -0.080 0.000 2.568 116 V HA -0.092 4.027 4.120 -0.002 0.000 0.253 116 V C 2.470 178.463 176.094 -0.169 0.000 1.072 116 V CA 2.205 64.436 62.300 -0.116 0.000 1.084 116 V CB -1.000 30.848 31.823 0.042 0.000 0.676 116 V HN 0.588 nan 8.190 nan 0.000 0.469 117 G N -0.359 108.354 108.800 -0.145 0.000 2.402 117 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.216 117 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.216 117 G C 1.478 176.305 174.900 -0.122 0.000 1.162 117 G CA 0.992 46.016 45.100 -0.127 0.000 0.777 117 G HN 0.519 nan 8.290 nan 0.000 0.539 118 L N 1.425 122.567 121.223 -0.135 0.000 2.093 118 L HA 0.224 4.562 4.340 -0.002 0.000 0.208 118 L C 2.967 179.737 176.870 -0.166 0.000 1.085 118 L CA 2.025 56.790 54.840 -0.125 0.000 0.755 118 L CB -0.764 41.229 42.059 -0.111 0.000 0.904 118 L HN 0.215 nan 8.230 nan 0.000 0.435 119 A N -1.108 121.541 122.820 -0.284 0.000 1.877 119 A HA -0.244 4.074 4.320 -0.002 0.000 0.216 119 A C 2.398 179.925 177.584 -0.095 0.000 1.186 119 A CA 1.923 53.749 52.037 -0.352 0.000 0.620 119 A CB -1.504 16.937 19.000 -0.931 0.000 0.822 119 A HN 0.626 nan 8.150 nan 0.000 0.443 120 C N 0.011 119.236 119.300 -0.125 0.000 2.429 120 C HA -0.084 4.375 4.460 -0.002 0.000 0.277 120 C C 3.382 178.394 174.990 0.038 0.000 1.262 120 C CA 1.413 60.370 59.018 -0.103 0.000 1.733 120 C CB -1.236 26.419 27.740 -0.142 0.000 2.010 120 C HN 0.805 nan 8.230 nan 0.000 0.483 121 S N -0.263 115.446 115.700 0.017 0.000 2.442 121 S HA -0.193 4.276 4.470 -0.002 0.000 0.236 121 S C 1.369 176.003 174.600 0.057 0.000 1.007 121 S CA 1.343 59.592 58.200 0.082 0.000 0.965 121 S CB -0.409 62.794 63.200 0.005 0.000 0.773 121 S HN 0.800 nan 8.310 nan 0.000 0.504 122 Q N -1.309 118.428 119.800 -0.104 0.000 2.110 122 Q HA 0.325 4.664 4.340 -0.002 0.000 0.232 122 Q C 0.147 175.972 176.000 -0.291 0.000 0.810 122 Q CA -0.429 55.194 55.803 -0.301 0.000 1.083 122 Q CB 0.208 28.778 28.738 -0.279 0.000 1.193 122 Q HN 0.538 nan 8.270 nan 0.000 0.471 123 Y N 0.057 119.987 120.300 -0.616 0.000 2.151 123 Y HA -0.208 4.341 4.550 -0.002 0.000 0.284 123 Y C 2.071 177.686 175.900 -0.475 0.000 1.166 123 Y CA 2.304 60.078 58.100 -0.543 0.000 1.163 123 Y CB -0.236 37.913 38.460 -0.518 0.000 0.974 123 Y HN 0.305 nan 8.280 nan 0.000 0.511 124 G N -2.274 106.052 108.800 -0.789 0.000 2.443 124 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.219 124 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.219 124 G C 1.093 176.057 174.900 0.107 0.000 1.131 124 G CA 1.008 46.074 45.100 -0.057 0.000 0.775 124 G HN 0.466 nan 8.290 nan 0.000 0.547 125 H N 0.143 119.122 119.070 -0.151 0.000 2.482 125 H HA 0.121 4.676 4.556 -0.002 0.000 0.286 125 H C 2.362 177.572 175.328 -0.196 0.000 1.017 125 H CA 0.759 56.675 56.048 -0.221 0.000 1.322 125 H CB -0.109 29.597 29.762 -0.093 0.000 1.426 125 H HN 0.565 nan 8.280 nan 0.000 0.546 126 I N -2.954 117.603 120.570 -0.022 0.000 3.956 126 I HA 0.164 4.333 4.170 -0.002 0.000 0.333 126 I C 0.187 176.242 176.117 -0.104 0.000 1.302 126 I CA -0.420 60.846 61.300 -0.057 0.000 1.122 126 I CB -0.227 37.754 38.000 -0.033 0.000 1.013 126 I HN -0.142 nan 8.210 nan 0.000 0.405 127 F N 3.269 123.065 119.950 -0.258 0.000 2.629 127 F HA 0.128 4.653 4.527 -0.003 0.000 0.369 127 F C 1.108 176.802 175.800 -0.177 0.000 1.125 127 F CA 0.689 58.526 58.000 -0.272 0.000 1.330 127 F CB 0.499 39.352 39.000 -0.245 0.000 1.071 127 F HN 0.050 nan 8.300 nan 0.000 0.595 128 R N 3.173 122.954 120.500 -1.198 0.000 3.372 128 R HA 0.294 4.632 4.340 -0.002 0.000 0.150 128 R C -0.282 175.320 176.300 -1.163 0.000 0.739 128 R CA -0.542 55.048 56.100 -0.850 0.000 1.041 128 R CB 0.540 30.584 30.300 -0.426 0.000 1.530 128 R HN 0.478 nan 8.270 nan 0.000 0.534 129 R N 1.736 121.600 120.500 -1.061 0.000 2.744 129 R HA 0.406 4.745 4.340 -0.002 0.000 0.279 129 R C -2.656 173.411 176.300 -0.389 0.000 0.977 129 R CA -1.820 53.910 56.100 -0.615 0.000 0.906 129 R CB 2.397 32.525 30.300 -0.286 0.000 1.197 129 R HN 0.022 nan 8.270 nan 0.000 0.463 130 P HA 0.202 nan 4.420 nan 0.000 0.277 130 P C -1.361 176.097 177.300 0.263 0.000 1.240 130 P CA -0.387 62.938 63.100 0.376 0.000 0.798 130 P CB 1.097 33.047 31.700 0.416 0.000 0.979 131 K N 1.055 121.667 120.400 0.354 0.000 2.443 131 K HA 0.659 4.978 4.320 -0.002 0.000 0.252 131 K C -0.060 176.672 176.600 0.219 0.000 0.933 131 K CA -0.514 55.918 56.287 0.240 0.000 0.792 131 K CB 1.993 34.587 32.500 0.157 0.000 1.185 131 K HN 0.889 nan 8.250 nan 0.000 0.425 132 G N 1.408 110.336 108.800 0.214 0.000 2.685 132 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.387 132 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.387 132 G C -1.758 173.116 174.900 -0.044 0.000 1.324 132 G CA -1.023 44.042 45.100 -0.059 0.000 0.878 132 G HN 0.389 nan 8.290 nan 0.000 0.527 133 L N -0.033 120.960 121.223 -0.383 0.000 2.322 133 L HA 0.813 5.151 4.340 -0.002 0.000 0.281 133 L C -0.865 175.769 176.870 -0.393 0.000 1.014 133 L CA -0.597 54.116 54.840 -0.211 0.000 0.815 133 L CB 1.058 42.932 42.059 -0.307 0.000 1.247 133 L HN 0.503 nan 8.230 nan 0.000 0.421 134 F N 5.581 125.530 119.950 -0.002 0.000 2.426 134 F HA 0.499 5.025 4.527 -0.002 0.000 0.348 134 F C 0.330 176.105 175.800 -0.042 0.000 1.124 134 F CA -0.464 57.513 58.000 -0.039 0.000 1.008 134 F CB 1.439 40.427 39.000 -0.020 0.000 1.139 134 F HN 0.213 nan 8.300 nan 0.000 0.452 135 I N 3.278 123.876 120.570 0.047 0.000 2.411 135 I HA 0.294 4.462 4.170 -0.002 0.000 0.284 135 I C -0.268 175.859 176.117 0.017 0.000 1.012 135 I CA -0.456 60.855 61.300 0.018 0.000 1.119 135 I CB 1.564 39.528 38.000 -0.060 0.000 1.261 135 I HN 0.599 nan 8.210 nan 0.000 0.448 136 S N 5.062 120.790 115.700 0.047 0.000 2.651 136 S HA 0.396 4.865 4.470 -0.002 0.000 0.291 136 S C 0.796 175.428 174.600 0.052 0.000 1.141 136 S CA -0.675 57.551 58.200 0.042 0.000 1.027 136 S CB 1.991 65.210 63.200 0.033 0.000 1.043 136 S HN 0.586 nan 8.310 nan 0.000 0.530 137 I N 2.031 122.640 120.570 0.065 0.000 2.567 137 I HA -0.081 4.087 4.170 -0.002 0.000 0.257 137 I C 2.013 178.176 176.117 0.077 0.000 1.184 137 I CA 1.415 62.764 61.300 0.081 0.000 1.451 137 I CB -0.595 37.468 38.000 0.106 0.000 1.089 137 I HN 0.750 nan 8.210 nan 0.000 0.441 138 S N 0.196 115.935 115.700 0.066 0.000 2.515 138 S HA -0.066 4.402 4.470 -0.002 0.000 0.231 138 S C 1.252 175.900 174.600 0.080 0.000 0.987 138 S CA 0.932 59.170 58.200 0.064 0.000 0.936 138 S CB -0.350 62.876 63.200 0.043 0.000 0.766 138 S HN 0.537 nan 8.310 nan 0.000 0.528 139 D N 1.499 121.951 120.400 0.088 0.000 2.349 139 D HA 0.019 4.657 4.640 -0.002 0.000 0.214 139 D C 0.609 177.006 176.300 0.162 0.000 1.063 139 D CA -0.046 54.028 54.000 0.123 0.000 0.847 139 D CB 0.083 40.941 40.800 0.098 0.000 0.933 139 D HN 0.540 nan 8.370 nan 0.000 0.513 140 R N 0.260 120.832 120.500 0.120 0.000 2.523 140 R HA 0.154 4.493 4.340 -0.002 0.000 0.281 140 R C 0.987 177.322 176.300 0.058 0.000 0.969 140 R CA 1.005 57.156 56.100 0.085 0.000 1.093 140 R CB -0.102 30.242 30.300 0.073 0.000 0.917 140 R HN 0.018 nan 8.270 nan 0.000 0.408 141 G N 1.867 110.652 108.800 -0.024 0.000 2.199 141 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.254 141 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.254 141 G C 0.319 174.990 174.900 -0.382 0.000 0.982 141 G CA 0.322 45.310 45.100 -0.188 0.000 0.632 141 G HN 0.826 nan 8.290 nan 0.000 0.529 142 H N -0.667 118.420 119.070 0.028 0.000 2.750 142 H HA 0.346 4.901 4.556 -0.001 0.000 0.252 142 H C 1.990 177.337 175.328 0.031 0.000 1.176 142 H CA 0.462 56.526 56.048 0.027 0.000 0.987 142 H CB 0.495 30.274 29.762 0.028 0.000 1.810 142 H HN 0.247 nan 8.280 nan 0.000 0.630 143 V N 0.854 120.830 119.914 0.103 0.000 2.343 143 V HA -0.270 3.849 4.120 -0.002 0.000 0.247 143 V C 2.779 178.916 176.094 0.072 0.000 1.051 143 V CA 1.913 64.266 62.300 0.089 0.000 1.036 143 V CB -0.249 31.618 31.823 0.075 0.000 0.654 143 V HN 0.208 nan 8.190 nan 0.000 0.451 144 R N 1.757 122.282 120.500 0.042 0.000 2.105 144 R HA -0.162 4.177 4.340 -0.002 0.000 0.239 144 R C 2.509 178.834 176.300 0.041 0.000 1.135 144 R CA 2.137 58.248 56.100 0.019 0.000 0.967 144 R CB -1.008 29.290 30.300 -0.005 0.000 0.861 144 R HN 0.695 nan 8.270 nan 0.000 0.442 145 S N -0.660 115.084 115.700 0.073 0.000 2.423 145 S HA -0.078 4.391 4.470 -0.002 0.000 0.231 145 S C 2.111 176.762 174.600 0.085 0.000 1.014 145 S CA 1.215 59.462 58.200 0.080 0.000 0.965 145 S CB -0.424 62.840 63.200 0.107 0.000 0.785 145 S HN 0.372 nan 8.310 nan 0.000 0.495 146 I N 1.078 121.706 120.570 0.098 0.000 2.286 146 I HA -0.068 4.101 4.170 -0.002 0.000 0.245 146 I C 2.340 178.536 176.117 0.132 0.000 1.104 146 I CA 0.752 62.120 61.300 0.113 0.000 1.397 146 I CB -0.282 37.785 38.000 0.112 0.000 1.072 146 I HN 0.206 nan 8.210 nan 0.000 0.417 147 V N 0.662 120.638 119.914 0.104 0.000 2.515 147 V HA -0.268 3.851 4.120 -0.002 0.000 0.250 147 V C 1.739 177.903 176.094 0.117 0.000 1.058 147 V CA 1.751 64.115 62.300 0.107 0.000 1.064 147 V CB -0.637 31.205 31.823 0.032 0.000 0.675 147 V HN 0.378 nan 8.190 nan 0.000 0.461 148 D N 0.040 120.482 120.400 0.070 0.000 2.312 148 D HA -0.076 4.563 4.640 -0.002 0.000 0.211 148 D C 1.848 178.212 176.300 0.106 0.000 0.964 148 D CA 0.557 54.590 54.000 0.055 0.000 0.877 148 D CB -0.257 40.559 40.800 0.027 0.000 0.924 148 D HN 0.363 nan 8.370 nan 0.000 0.515 149 N N -0.376 118.411 118.700 0.145 0.000 2.446 149 N HA -0.082 4.657 4.740 -0.002 0.000 0.179 149 N C 0.285 175.914 175.510 0.198 0.000 1.054 149 N CA -0.013 53.123 53.050 0.143 0.000 0.905 149 N CB 0.045 38.613 38.487 0.135 0.000 0.973 149 N HN 0.348 nan 8.380 nan 0.000 0.448 150 W N 3.013 124.361 121.300 0.080 0.000 2.308 150 W HA 0.050 4.709 4.660 -0.002 0.000 0.324 150 W C -1.649 174.931 176.519 0.101 0.000 1.387 150 W CA -1.235 56.170 57.345 0.099 0.000 1.250 150 W CB 0.920 30.471 29.460 0.151 0.000 1.257 150 W HN 0.082 nan 8.180 nan 0.000 0.554 151 P HA -0.174 nan 4.420 nan 0.000 0.218 151 P C -0.104 177.096 177.300 -0.166 0.000 1.148 151 P CA 1.632 64.541 63.100 -0.318 0.000 0.822 151 P CB 0.190 31.626 31.700 -0.440 0.000 0.784 152 E N 0.167 120.254 120.200 -0.188 0.000 2.283 152 E HA 0.097 4.446 4.350 -0.002 0.000 0.278 152 E C 0.583 177.415 176.600 0.386 0.000 1.027 152 E CA -0.028 56.450 56.400 0.131 0.000 0.843 152 E CB 0.230 30.052 29.700 0.203 0.000 1.062 152 E HN 0.380 nan 8.360 nan 0.000 0.401 153 N N 1.309 120.206 118.700 0.329 0.000 2.236 153 N HA -0.054 4.684 4.740 -0.002 0.000 0.196 153 N C 0.380 176.205 175.510 0.525 0.000 1.114 153 N CA 0.058 53.378 53.050 0.450 0.000 0.859 153 N CB 0.404 39.038 38.487 0.245 0.000 0.982 153 N HN 0.330 nan 8.380 nan 0.000 0.493 154 H N 1.201 120.396 119.070 0.208 0.000 2.481 154 H HA 0.331 4.886 4.556 -0.002 0.000 0.273 154 H C -0.536 174.756 175.328 -0.060 0.000 1.145 154 H CA -0.418 55.696 56.048 0.109 0.000 0.964 154 H CB -0.211 29.598 29.762 0.078 0.000 1.722 154 H HN -0.188 nan 8.280 nan 0.000 0.573 155 V N 1.937 121.615 119.914 -0.393 0.000 2.599 155 V HA -0.023 4.096 4.120 -0.002 0.000 0.300 155 V C 0.923 176.738 176.094 -0.466 0.000 1.034 155 V CA 0.567 62.482 62.300 -0.642 0.000 1.115 155 V CB 0.990 31.980 31.823 -1.389 0.000 0.934 155 V HN 0.490 nan 8.190 nan 0.000 0.485 156 K N 2.845 123.065 120.400 -0.300 0.000 2.435 156 K HA 0.452 4.771 4.320 -0.002 0.000 0.199 156 K C 0.242 176.775 176.600 -0.111 0.000 1.153 156 K CA 0.578 56.751 56.287 -0.190 0.000 0.974 156 K CB 1.322 33.738 32.500 -0.139 0.000 0.997 156 K HN 0.692 nan 8.250 nan 0.000 0.547 157 A N 0.941 123.684 122.820 -0.129 0.000 2.455 157 A HA 0.674 4.993 4.320 -0.002 0.000 0.300 157 A C -1.129 176.332 177.584 -0.206 0.000 1.040 157 A CA -0.550 51.449 52.037 -0.064 0.000 0.697 157 A CB 1.804 20.894 19.000 0.150 0.000 1.265 157 A HN -0.121 nan 8.150 nan 0.000 0.407 158 V N 1.903 121.703 119.914 -0.191 0.000 2.709 158 V HA 0.568 4.687 4.120 -0.002 0.000 0.308 158 V C -0.737 175.201 176.094 -0.261 0.000 1.062 158 V CA -0.540 61.603 62.300 -0.262 0.000 0.901 158 V CB 1.994 33.684 31.823 -0.221 0.000 1.003 158 V HN 0.726 nan 8.190 nan 0.000 0.425 159 V N 5.073 124.789 119.914 -0.329 0.000 2.407 159 V HA 0.561 4.680 4.120 -0.002 0.000 0.291 159 V C -0.378 175.529 176.094 -0.312 0.000 1.018 159 V CA -0.557 61.548 62.300 -0.324 0.000 0.842 159 V CB 1.814 33.411 31.823 -0.376 0.000 0.996 159 V HN 0.613 nan 8.190 nan 0.000 0.426 160 V N 4.794 124.521 119.914 -0.312 0.000 2.680 160 V HA 0.873 4.991 4.120 -0.002 0.000 0.309 160 V C -0.288 175.717 176.094 -0.148 0.000 1.052 160 V CA 0.175 62.276 62.300 -0.332 0.000 0.908 160 V CB 2.491 34.015 31.823 -0.499 0.000 1.001 160 V HN 0.962 nan 8.190 nan 0.000 0.431 161 T N 2.545 116.942 114.554 -0.262 0.000 2.864 161 T HA 0.479 4.828 4.350 -0.002 0.000 0.299 161 T C -0.659 173.660 174.700 -0.634 0.000 1.166 161 T CA 0.137 61.992 62.100 -0.409 0.000 1.007 161 T CB 1.758 70.451 68.868 -0.292 0.000 1.219 161 T HN 0.936 nan 8.240 nan 0.000 0.506 162 D N 0.146 119.993 120.400 -0.921 0.000 2.513 162 D HA 0.241 4.880 4.640 -0.002 0.000 0.222 162 D C 1.341 177.449 176.300 -0.321 0.000 1.210 162 D CA 0.560 54.230 54.000 -0.550 0.000 0.825 162 D CB -0.297 40.198 40.800 -0.507 0.000 1.037 162 D HN 1.067 nan 8.370 nan 0.000 0.506 163 G N 1.398 110.011 108.800 -0.311 0.000 2.180 163 G HA2 -0.437 3.521 3.960 -0.002 0.000 0.263 163 G HA3 -0.437 3.521 3.960 -0.002 0.000 0.263 163 G C 0.782 175.601 174.900 -0.134 0.000 0.989 163 G CA 0.861 45.857 45.100 -0.173 0.000 0.692 163 G HN 0.518 nan 8.290 nan 0.000 0.526 164 E N -0.332 119.773 120.200 -0.158 0.000 2.112 164 E HA 0.034 4.382 4.350 -0.002 0.000 0.190 164 E C 1.673 178.236 176.600 -0.062 0.000 0.979 164 E CA 0.562 56.905 56.400 -0.094 0.000 0.814 164 E CB 0.055 29.711 29.700 -0.072 0.000 0.762 164 E HN 0.387 nan 8.360 nan 0.000 0.460 165 R N 1.291 121.756 120.500 -0.057 0.000 2.564 165 R HA 0.190 4.529 4.340 -0.002 0.000 0.282 165 R C -1.104 175.170 176.300 -0.043 0.000 1.573 165 R CA -0.496 55.585 56.100 -0.031 0.000 1.588 165 R CB 0.241 30.545 30.300 0.005 0.000 1.154 165 R HN 0.111 nan 8.270 nan 0.000 0.606 166 I N 6.108 126.644 120.570 -0.057 0.000 2.363 166 I HA 0.066 4.235 4.170 -0.002 0.000 0.292 166 I C 1.448 177.530 176.117 -0.059 0.000 1.075 166 I CA 0.286 61.547 61.300 -0.065 0.000 1.333 166 I CB -0.207 37.751 38.000 -0.070 0.000 1.415 166 I HN 0.683 nan 8.210 nan 0.000 0.502 167 L N 5.253 126.441 121.223 -0.058 0.000 6.328 167 L HA -0.307 4.032 4.340 -0.002 0.000 0.053 167 L C 1.372 178.214 176.870 -0.048 0.000 2.032 167 L CA 1.375 56.178 54.840 -0.062 0.000 1.701 167 L CB -1.505 40.502 42.059 -0.087 0.000 2.706 167 L HN 0.694 nan 8.230 nan 0.000 1.012 168 G N -1.170 107.599 108.800 -0.052 0.000 3.605 168 G HA2 0.425 4.384 3.960 -0.002 0.000 0.277 168 G HA3 0.425 4.384 3.960 -0.002 0.000 0.277 168 G C 0.626 175.501 174.900 -0.042 0.000 1.093 168 G CA -0.156 44.918 45.100 -0.043 0.000 0.821 168 G HN 0.199 nan 8.290 nan 0.000 0.532 169 L N 0.173 121.369 121.223 -0.045 0.000 2.446 169 L HA 0.373 4.712 4.340 -0.002 0.000 0.219 169 L C 1.748 178.595 176.870 -0.038 0.000 1.116 169 L CA 0.998 55.813 54.840 -0.041 0.000 0.844 169 L CB -0.600 41.433 42.059 -0.043 0.000 0.970 169 L HN 0.418 nan 8.230 nan 0.000 0.457 170 G N -0.634 108.143 108.800 -0.039 0.000 2.484 170 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.225 170 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.225 170 G C -0.543 174.328 174.900 -0.048 0.000 1.250 170 G CA -0.140 44.936 45.100 -0.040 0.000 0.926 170 G HN 0.135 nan 8.290 nan 0.000 0.581 171 D N 1.205 121.572 120.400 -0.055 0.000 2.352 171 D HA 0.460 5.099 4.640 -0.002 0.000 0.245 171 D C 1.369 177.623 176.300 -0.076 0.000 1.224 171 D CA -0.120 53.839 54.000 -0.068 0.000 0.879 171 D CB 0.267 41.021 40.800 -0.076 0.000 1.057 171 D HN 0.411 nan 8.370 nan 0.000 0.491 172 L N 3.111 124.298 121.223 -0.059 0.000 2.808 172 L HA 0.293 4.632 4.340 -0.002 0.000 0.246 172 L C 1.660 178.524 176.870 -0.010 0.000 1.153 172 L CA -0.122 54.697 54.840 -0.035 0.000 0.956 172 L CB -0.112 41.966 42.059 0.031 0.000 1.270 172 L HN 0.621 nan 8.230 nan 0.000 0.528 173 G N 0.994 109.782 108.800 -0.019 0.000 2.614 173 G HA2 -0.364 3.595 3.960 -0.002 0.000 0.303 173 G HA3 -0.364 3.595 3.960 -0.002 0.000 0.303 173 G C 0.833 175.807 174.900 0.124 0.000 1.270 173 G CA 0.287 45.428 45.100 0.069 0.000 0.988 173 G HN -0.089 nan 8.290 nan 0.000 0.551 174 V N 0.431 120.469 119.914 0.206 0.000 2.688 174 V HA -0.166 3.953 4.120 -0.002 0.000 0.256 174 V C 2.318 178.604 176.094 0.320 0.000 1.084 174 V CA 2.649 65.055 62.300 0.176 0.000 1.103 174 V CB -0.870 30.942 31.823 -0.018 0.000 0.688 174 V HN 0.548 nan 8.190 nan 0.000 0.480 175 Y N 0.630 121.032 120.300 0.170 0.000 2.569 175 Y HA -0.126 4.422 4.550 -0.003 0.000 0.293 175 Y C 2.399 178.161 175.900 -0.229 0.000 1.144 175 Y CA 0.156 58.312 58.100 0.094 0.000 1.321 175 Y CB -0.212 38.354 38.460 0.176 0.000 0.982 175 Y HN 0.420 nan 8.280 nan 0.000 0.558 176 G N -0.231 108.571 108.800 0.002 0.000 2.598 176 G HA2 -0.248 3.710 3.960 -0.002 0.000 0.215 176 G HA3 -0.248 3.710 3.960 -0.002 0.000 0.215 176 G C 1.415 176.171 174.900 -0.241 0.000 1.131 176 G CA 0.260 45.278 45.100 -0.137 0.000 0.785 176 G HN 0.292 nan 8.290 nan 0.000 0.539 177 M N 1.919 121.373 119.600 -0.244 0.000 2.260 177 M HA 0.043 4.521 4.480 -0.002 0.000 0.261 177 M C 2.326 178.448 176.300 -0.296 0.000 1.066 177 M CA 1.483 56.647 55.300 -0.227 0.000 1.082 177 M CB -0.713 31.899 32.600 0.019 0.000 1.388 177 M HN 0.087 nan 8.290 nan 0.000 0.419 178 G N 0.379 108.794 108.800 -0.642 0.000 2.462 178 G HA2 -0.161 3.797 3.960 -0.002 0.000 0.220 178 G HA3 -0.161 3.797 3.960 -0.002 0.000 0.220 178 G C 1.388 176.228 174.900 -0.101 0.000 1.121 178 G CA 1.059 45.946 45.100 -0.354 0.000 0.758 178 G HN 0.479 nan 8.290 nan 0.000 0.559 179 I N 1.793 122.275 120.570 -0.147 0.000 2.133 179 I HA -0.042 4.127 4.170 -0.002 0.000 0.238 179 I C -0.004 176.071 176.117 -0.069 0.000 1.074 179 I CA 0.880 62.136 61.300 -0.073 0.000 1.342 179 I CB -1.988 35.951 38.000 -0.101 0.000 1.053 179 I HN 0.074 nan 8.210 nan 0.000 0.404 180 P HA -0.091 nan 4.420 nan 0.000 0.216 180 P C 2.254 179.471 177.300 -0.138 0.000 1.150 180 P CA 1.075 64.067 63.100 -0.181 0.000 0.837 180 P CB 0.032 31.587 31.700 -0.241 0.000 0.786 181 V N -0.054 119.814 119.914 -0.077 0.000 2.343 181 V HA -0.188 3.930 4.120 -0.002 0.000 0.247 181 V C 2.573 178.699 176.094 0.053 0.000 1.051 181 V CA 2.558 64.853 62.300 -0.009 0.000 1.036 181 V CB -1.838 30.025 31.823 0.066 0.000 0.654 181 V HN 0.185 nan 8.190 nan 0.000 0.451 182 G N -0.297 108.564 108.800 0.102 0.000 2.404 182 G HA2 -0.198 3.760 3.960 -0.002 0.000 0.215 182 G HA3 -0.198 3.760 3.960 -0.002 0.000 0.215 182 G C 1.643 176.641 174.900 0.164 0.000 1.174 182 G CA 0.534 45.748 45.100 0.189 0.000 0.780 182 G HN 0.361 nan 8.290 nan 0.000 0.537 183 K N 0.360 120.813 120.400 0.088 0.000 2.032 183 K HA 0.010 4.328 4.320 -0.002 0.000 0.209 183 K C 2.498 179.151 176.600 0.089 0.000 1.048 183 K CA 0.738 57.040 56.287 0.025 0.000 0.927 183 K CB -0.681 31.659 32.500 -0.266 0.000 0.712 183 K HN 0.345 nan 8.250 nan 0.000 0.441 184 L N 0.328 121.497 121.223 -0.091 0.000 2.217 184 L HA -0.161 4.178 4.340 -0.002 0.000 0.211 184 L C 2.621 179.556 176.870 0.108 0.000 1.107 184 L CA 0.532 55.268 54.840 -0.174 0.000 0.783 184 L CB -0.399 41.483 42.059 -0.295 0.000 0.919 184 L HN 0.163 nan 8.230 nan 0.000 0.442 185 C N -0.094 119.321 119.300 0.192 0.000 2.425 185 C HA -0.134 4.325 4.460 -0.002 0.000 0.277 185 C C 2.648 177.834 174.990 0.327 0.000 1.280 185 C CA 0.508 59.739 59.018 0.354 0.000 1.744 185 C CB -0.723 27.207 27.740 0.317 0.000 1.989 185 C HN 0.447 nan 8.230 nan 0.000 0.491 186 L N -1.164 120.209 121.223 0.250 0.000 2.291 186 L HA -0.114 4.225 4.340 -0.002 0.000 0.214 186 L C 2.415 179.442 176.870 0.261 0.000 1.120 186 L CA 1.151 56.103 54.840 0.188 0.000 0.799 186 L CB -0.692 41.443 42.059 0.126 0.000 0.925 186 L HN 0.303 nan 8.230 nan 0.000 0.446 187 Y N 0.938 121.331 120.300 0.155 0.000 2.097 187 Y HA -0.264 4.285 4.550 -0.002 0.000 0.282 187 Y C 2.877 178.774 175.900 -0.006 0.000 1.152 187 Y CA 1.886 60.050 58.100 0.106 0.000 1.136 187 Y CB -0.844 37.662 38.460 0.077 0.000 0.975 187 Y HN 0.113 nan 8.280 nan 0.000 0.498 188 T N -0.379 114.240 114.554 0.109 0.000 2.732 188 T HA -0.131 4.218 4.350 -0.002 0.000 0.261 188 T C 2.196 176.868 174.700 -0.047 0.000 1.040 188 T CA 1.366 63.379 62.100 -0.145 0.000 1.145 188 T CB -0.763 67.678 68.868 -0.712 0.000 0.866 188 T HN 0.372 nan 8.240 nan 0.000 0.427 189 A N 0.392 123.260 122.820 0.080 0.000 1.933 189 A HA -0.122 4.197 4.320 -0.002 0.000 0.218 189 A C 2.627 180.219 177.584 0.013 0.000 1.175 189 A CA 1.620 53.720 52.037 0.105 0.000 0.628 189 A CB -1.173 17.892 19.000 0.108 0.000 0.814 189 A HN 0.639 nan 8.150 nan 0.000 0.444 190 C N -2.173 117.114 119.300 -0.021 0.000 2.519 190 C HA 0.436 4.895 4.460 -0.002 0.000 0.281 190 C C 2.846 177.794 174.990 -0.071 0.000 1.331 190 C CA 0.593 59.562 59.018 -0.081 0.000 1.725 190 C CB -0.609 27.030 27.740 -0.169 0.000 2.079 190 C HN 0.680 nan 8.230 nan 0.000 0.496 191 A N -0.605 122.177 122.820 -0.062 0.000 2.390 191 A HA 0.497 4.815 4.320 -0.002 0.000 0.232 191 A C 1.552 179.120 177.584 -0.027 0.000 1.233 191 A CA 0.988 52.986 52.037 -0.065 0.000 0.907 191 A CB -0.557 18.373 19.000 -0.116 0.000 0.967 191 A HN 1.151 nan 8.150 nan 0.000 0.512 192 G N 0.039 108.844 108.800 0.008 0.000 2.179 192 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.257 192 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.257 192 G C 0.108 175.053 174.900 0.075 0.000 1.010 192 G CA 0.435 45.578 45.100 0.071 0.000 0.736 192 G HN 0.507 nan 8.290 nan 0.000 0.513 193 I N 0.735 121.311 120.570 0.010 0.000 2.588 193 I HA 0.165 4.334 4.170 -0.002 0.000 0.283 193 I C 1.433 177.477 176.117 -0.121 0.000 1.119 193 I CA -0.563 60.737 61.300 -0.000 0.000 1.419 193 I CB 0.501 38.543 38.000 0.070 0.000 1.394 193 I HN 0.100 nan 8.210 nan 0.000 0.562 194 R N 6.960 127.383 120.500 -0.127 0.000 2.502 194 R HA 0.008 4.347 4.340 -0.002 0.000 0.292 194 R C -1.676 174.363 176.300 -0.435 0.000 0.998 194 R CA -1.036 54.840 56.100 -0.375 0.000 1.056 194 R CB -0.038 30.177 30.300 -0.142 0.000 0.939 194 R HN 0.396 nan 8.270 nan 0.000 0.411 195 P HA -0.182 nan 4.420 nan 0.000 0.217 195 P C 0.524 177.700 177.300 -0.206 0.000 1.150 195 P CA 1.322 64.144 63.100 -0.464 0.000 0.832 195 P CB 0.118 31.458 31.700 -0.599 0.000 0.787 196 D N -0.772 119.515 120.400 -0.189 0.000 2.350 196 D HA -0.173 4.465 4.640 -0.002 0.000 0.216 196 D C 1.486 177.791 176.300 0.008 0.000 0.968 196 D CA 1.053 55.032 54.000 -0.034 0.000 0.894 196 D CB -0.996 39.802 40.800 -0.004 0.000 0.909 196 D HN 0.247 nan 8.370 nan 0.000 0.520 197 Q N -0.771 118.995 119.800 -0.056 0.000 2.319 197 Q HA 0.196 4.534 4.340 -0.002 0.000 0.202 197 Q C -0.132 175.789 176.000 -0.132 0.000 0.896 197 Q CA -0.093 55.665 55.803 -0.075 0.000 0.942 197 Q CB 0.678 29.380 28.738 -0.060 0.000 1.083 197 Q HN 0.282 nan 8.270 nan 0.000 0.510 198 C N 1.249 120.478 119.300 -0.119 0.000 2.358 198 C HA 0.634 5.093 4.460 -0.002 0.000 0.342 198 C C -0.315 174.541 174.990 -0.223 0.000 1.234 198 C CA -0.919 57.983 59.018 -0.193 0.000 1.969 198 C CB 0.687 28.305 27.740 -0.202 0.000 2.346 198 C HN 0.345 nan 8.230 nan 0.000 0.525 199 L N 5.966 126.963 121.223 -0.377 0.000 2.471 199 L HA 0.534 4.873 4.340 -0.002 0.000 0.263 199 L C -2.625 173.934 176.870 -0.519 0.000 0.985 199 L CA -1.696 52.796 54.840 -0.580 0.000 0.868 199 L CB 1.486 43.058 42.059 -0.813 0.000 1.203 199 L HN 0.433 nan 8.230 nan 0.000 0.429 200 P HA 0.259 nan 4.420 nan 0.000 0.281 200 P C -1.100 175.924 177.300 -0.460 0.000 1.252 200 P CA -0.080 62.788 63.100 -0.387 0.000 0.778 200 P CB 1.749 33.286 31.700 -0.271 0.000 0.895 201 V N 3.867 123.523 119.914 -0.429 0.000 2.656 201 V HA 0.323 4.442 4.120 -0.002 0.000 0.307 201 V C -0.102 175.700 176.094 -0.486 0.000 1.051 201 V CA -0.509 61.508 62.300 -0.471 0.000 0.893 201 V CB 2.381 33.956 31.823 -0.414 0.000 0.999 201 V HN 0.723 nan 8.190 nan 0.000 0.426 202 C N 6.780 125.764 119.300 -0.527 0.000 2.322 202 C HA 0.624 5.083 4.460 -0.002 0.000 0.324 202 C C -0.439 174.367 174.990 -0.307 0.000 1.249 202 C CA -0.584 58.191 59.018 -0.406 0.000 1.453 202 C CB -0.254 27.266 27.740 -0.366 0.000 2.145 202 C HN 0.704 nan 8.230 nan 0.000 0.466 203 I N 5.501 125.884 120.570 -0.312 0.000 2.301 203 I HA 0.259 4.428 4.170 -0.002 0.000 0.292 203 I C 0.120 176.182 176.117 -0.091 0.000 1.046 203 I CA 0.404 61.565 61.300 -0.232 0.000 1.282 203 I CB 0.855 38.700 38.000 -0.258 0.000 1.409 203 I HN 0.677 nan 8.210 nan 0.000 0.484 204 D N 6.691 127.080 120.400 -0.018 0.000 2.427 204 D HA 0.281 4.920 4.640 -0.002 0.000 0.226 204 D C 0.535 176.870 176.300 0.058 0.000 1.076 204 D CA -0.354 53.662 54.000 0.027 0.000 0.849 204 D CB 1.162 41.984 40.800 0.035 0.000 1.052 204 D HN 0.330 nan 8.370 nan 0.000 0.515 205 V N 1.722 121.690 119.914 0.089 0.000 3.176 205 V HA 0.722 4.841 4.120 -0.002 0.000 0.332 205 V C 0.781 176.923 176.094 0.080 0.000 1.414 205 V CA 0.367 62.742 62.300 0.124 0.000 1.133 205 V CB -0.365 31.612 31.823 0.256 0.000 1.088 205 V HN 0.699 nan 8.190 nan 0.000 0.473 206 G N -0.164 108.673 108.800 0.062 0.000 2.525 206 G HA2 0.239 4.197 3.960 -0.002 0.000 0.685 206 G HA3 0.239 4.197 3.960 -0.002 0.000 0.685 206 G C -0.472 174.442 174.900 0.022 0.000 1.290 206 G CA -0.065 45.065 45.100 0.050 0.000 0.915 206 G HN 1.224 nan 8.290 nan 0.000 0.548 207 T N -1.285 113.257 114.554 -0.021 0.000 2.923 207 T HA 0.589 4.938 4.350 -0.002 0.000 0.311 207 T C -0.360 174.280 174.700 -0.101 0.000 1.183 207 T CA 0.184 62.235 62.100 -0.082 0.000 1.020 207 T CB 1.753 70.520 68.868 -0.167 0.000 1.165 207 T HN 0.405 nan 8.240 nan 0.000 0.482 208 D N 1.834 122.176 120.400 -0.097 0.000 2.339 208 D HA 0.096 4.735 4.640 -0.002 0.000 0.217 208 D C 0.501 176.742 176.300 -0.099 0.000 1.050 208 D CA 0.110 54.060 54.000 -0.084 0.000 0.856 208 D CB 0.170 40.930 40.800 -0.067 0.000 0.922 208 D HN 0.446 nan 8.370 nan 0.000 0.518 209 N N 1.672 120.290 118.700 -0.138 0.000 2.400 209 N HA -0.034 4.705 4.740 -0.002 0.000 0.267 209 N C 1.073 176.489 175.510 -0.156 0.000 1.208 209 N CA -0.139 52.823 53.050 -0.147 0.000 0.951 209 N CB 0.399 38.772 38.487 -0.189 0.000 1.227 209 N HN -0.101 nan 8.380 nan 0.000 0.488 210 I N 3.664 124.172 120.570 -0.102 0.000 2.248 210 I HA -0.283 3.886 4.170 -0.002 0.000 0.248 210 I C 2.235 178.299 176.117 -0.087 0.000 1.107 210 I CA 1.210 62.461 61.300 -0.083 0.000 1.373 210 I CB -0.510 37.458 38.000 -0.054 0.000 1.055 210 I HN 0.663 nan 8.210 nan 0.000 0.418 211 A N -0.147 122.622 122.820 -0.086 0.000 1.933 211 A HA -0.143 4.176 4.320 -0.002 0.000 0.218 211 A C 2.309 179.834 177.584 -0.098 0.000 1.175 211 A CA 1.436 53.434 52.037 -0.064 0.000 0.628 211 A CB -0.803 18.174 19.000 -0.039 0.000 0.814 211 A HN 0.430 nan 8.150 nan 0.000 0.444 212 L N -0.776 120.312 121.223 -0.224 0.000 2.156 212 L HA -0.069 4.270 4.340 -0.002 0.000 0.208 212 L C 2.237 178.900 176.870 -0.345 0.000 1.095 212 L CA 0.620 55.204 54.840 -0.426 0.000 0.770 212 L CB -0.492 41.044 42.059 -0.871 0.000 0.914 212 L HN 0.344 nan 8.230 nan 0.000 0.439 213 L N -0.179 120.913 121.223 -0.218 0.000 2.362 213 L HA -0.159 4.179 4.340 -0.002 0.000 0.219 213 L C 1.812 178.739 176.870 0.096 0.000 1.134 213 L CA 1.149 56.003 54.840 0.024 0.000 0.807 213 L CB -0.279 41.774 42.059 -0.010 0.000 0.927 213 L HN 0.255 nan 8.230 nan 0.000 0.447 214 K N -1.197 119.210 120.400 0.012 0.000 2.358 214 K HA 0.078 4.397 4.320 -0.002 0.000 0.200 214 K C -0.023 176.577 176.600 0.001 0.000 1.030 214 K CA -0.203 56.071 56.287 -0.020 0.000 1.097 214 K CB 0.406 32.884 32.500 -0.036 0.000 0.862 214 K HN -0.015 nan 8.250 nan 0.000 0.534 215 D N 1.746 122.195 120.400 0.083 0.000 2.313 215 D HA 0.103 4.742 4.640 -0.002 0.000 0.239 215 D C -2.017 174.353 176.300 0.116 0.000 1.142 215 D CA -2.415 51.644 54.000 0.098 0.000 0.847 215 D CB 1.721 42.644 40.800 0.205 0.000 1.082 215 D HN -0.158 nan 8.370 nan 0.000 0.480 216 P HA -0.013 nan 4.420 nan 0.000 0.228 216 P C 0.309 177.490 177.300 -0.198 0.000 1.151 216 P CA 0.689 63.629 63.100 -0.267 0.000 0.770 216 P CB 0.028 31.392 31.700 -0.561 0.000 0.786 217 F N -3.633 116.409 119.950 0.153 0.000 2.653 217 F HA 0.216 4.741 4.527 -0.003 0.000 0.304 217 F C 0.902 176.889 175.800 0.312 0.000 1.092 217 F CA -1.590 56.488 58.000 0.130 0.000 1.279 217 F CB -1.256 37.717 39.000 -0.045 0.000 1.044 217 F HN -0.105 nan 8.300 nan 0.000 0.564 218 Y N 1.086 121.568 120.300 0.303 0.000 2.610 218 Y HA 0.018 4.567 4.550 -0.002 0.000 0.332 218 Y C 1.227 177.142 175.900 0.025 0.000 1.201 218 Y CA 0.050 58.212 58.100 0.103 0.000 1.465 218 Y CB 0.672 38.987 38.460 -0.242 0.000 1.283 218 Y HN 0.039 nan 8.280 nan 0.000 0.563 219 M N 5.382 124.697 119.600 -0.476 0.000 2.453 219 M HA 0.231 4.710 4.480 -0.002 0.000 0.239 219 M C 0.599 176.385 176.300 -0.857 0.000 1.151 219 M CA 0.220 55.200 55.300 -0.533 0.000 0.989 219 M CB 0.321 32.796 32.600 -0.208 0.000 1.548 219 M HN 0.712 nan 8.290 nan 0.000 0.479 220 G N -0.171 107.637 108.800 -1.654 0.000 3.013 220 G HA2 0.601 4.560 3.960 -0.002 0.000 0.278 220 G HA3 0.601 4.560 3.960 -0.002 0.000 0.278 220 G C -1.318 173.220 174.900 -0.603 0.000 1.353 220 G CA -0.735 43.774 45.100 -0.985 0.000 1.043 220 G HN -0.083 nan 8.290 nan 0.000 0.523 221 L N 0.176 121.270 121.223 -0.216 0.000 2.499 221 L HA 0.187 4.525 4.340 -0.002 0.000 0.273 221 L C -0.292 176.581 176.870 0.005 0.000 1.195 221 L CA -0.207 54.591 54.840 -0.071 0.000 0.882 221 L CB -0.002 42.062 42.059 0.008 0.000 1.133 221 L HN 0.423 nan 8.230 nan 0.000 0.483 222 Y N 4.207 124.576 120.300 0.114 0.000 2.570 222 Y HA 0.286 4.834 4.550 -0.003 0.000 0.336 222 Y C 0.560 176.485 175.900 0.043 0.000 1.284 222 Y CA -0.207 57.952 58.100 0.098 0.000 1.761 222 Y CB -0.209 38.287 38.460 0.061 0.000 1.724 222 Y HN 0.588 nan 8.280 nan 0.000 0.455 223 Q N -0.106 119.777 119.800 0.138 0.000 2.522 223 Q HA 0.481 4.820 4.340 -0.002 0.000 0.285 223 Q C -1.458 174.565 176.000 0.037 0.000 0.982 223 Q CA -1.384 54.467 55.803 0.081 0.000 0.805 223 Q CB 1.734 30.516 28.738 0.072 0.000 1.457 223 Q HN 0.179 nan 8.270 nan 0.000 0.394 224 K N 0.920 121.330 120.400 0.017 0.000 2.180 224 K HA 0.294 4.613 4.320 -0.002 0.000 0.251 224 K C -0.300 176.297 176.600 -0.005 0.000 1.014 224 K CA -0.564 55.718 56.287 -0.009 0.000 0.913 224 K CB 0.556 33.047 32.500 -0.015 0.000 1.008 224 K HN 0.420 nan 8.250 nan 0.000 0.490 225 R N 1.733 122.217 120.500 -0.027 0.000 2.538 225 R HA -0.069 4.270 4.340 -0.002 0.000 0.282 225 R C 0.011 176.295 176.300 -0.025 0.000 1.009 225 R CA 0.048 56.128 56.100 -0.033 0.000 1.063 225 R CB 0.153 30.403 30.300 -0.083 0.000 0.945 225 R HN 0.518 nan 8.270 nan 0.000 0.414 226 D N 2.852 123.261 120.400 0.014 0.000 2.338 226 D HA 0.005 4.644 4.640 -0.002 0.000 0.255 226 D C 0.082 176.388 176.300 0.009 0.000 1.237 226 D CA 0.140 54.169 54.000 0.047 0.000 0.883 226 D CB 0.649 41.518 40.800 0.115 0.000 1.087 226 D HN 0.424 nan 8.370 nan 0.000 0.485 227 R N 2.116 122.611 120.500 -0.009 0.000 2.586 227 R HA 0.120 4.459 4.340 -0.002 0.000 0.336 227 R C 0.750 177.086 176.300 0.061 0.000 1.060 227 R CA -0.307 55.769 56.100 -0.041 0.000 1.079 227 R CB 0.622 30.875 30.300 -0.077 0.000 1.317 227 R HN 0.466 nan 8.270 nan 0.000 0.568 228 T N -2.695 111.924 114.554 0.108 0.000 2.814 228 T HA 0.006 4.355 4.350 -0.002 0.000 0.284 228 T C 1.251 176.058 174.700 0.179 0.000 0.998 228 T CA -0.599 61.572 62.100 0.118 0.000 0.935 228 T CB 1.197 70.122 68.868 0.096 0.000 1.167 228 T HN -0.061 nan 8.240 nan 0.000 0.545 229 Q N -0.006 119.881 119.800 0.145 0.000 2.234 229 Q HA -0.162 4.177 4.340 -0.002 0.000 0.206 229 Q C 2.268 178.371 176.000 0.172 0.000 0.980 229 Q CA 1.801 57.698 55.803 0.156 0.000 0.869 229 Q CB -0.721 28.083 28.738 0.110 0.000 0.912 229 Q HN 0.791 nan 8.270 nan 0.000 0.436 230 Q N -1.458 118.438 119.800 0.161 0.000 2.234 230 Q HA -0.210 4.129 4.340 -0.002 0.000 0.206 230 Q C 1.502 177.620 176.000 0.197 0.000 0.980 230 Q CA 1.407 57.301 55.803 0.151 0.000 0.869 230 Q CB -0.259 28.557 28.738 0.131 0.000 0.912 230 Q HN 0.552 nan 8.270 nan 0.000 0.436 231 Y N 1.890 122.273 120.300 0.138 0.000 2.133 231 Y HA -0.228 4.321 4.550 -0.002 0.000 0.287 231 Y C 1.621 177.669 175.900 0.246 0.000 1.134 231 Y CA 1.834 60.044 58.100 0.183 0.000 1.133 231 Y CB -0.177 38.402 38.460 0.198 0.000 0.987 231 Y HN 0.044 nan 8.280 nan 0.000 0.502 232 D N 0.194 120.731 120.400 0.230 0.000 2.149 232 D HA -0.168 4.471 4.640 -0.002 0.000 0.198 232 D C 1.726 178.088 176.300 0.103 0.000 0.990 232 D CA 1.658 55.781 54.000 0.205 0.000 0.839 232 D CB -0.368 40.608 40.800 0.294 0.000 0.948 232 D HN 0.440 nan 8.370 nan 0.000 0.460 233 D N -0.136 120.325 120.400 0.102 0.000 2.144 233 D HA -0.113 4.526 4.640 -0.002 0.000 0.199 233 D C 2.114 178.439 176.300 0.041 0.000 0.984 233 D CA 0.281 54.327 54.000 0.077 0.000 0.834 233 D CB -0.304 40.543 40.800 0.078 0.000 0.955 233 D HN 0.149 nan 8.370 nan 0.000 0.465 234 L N 0.805 122.039 121.223 0.018 0.000 2.017 234 L HA -0.128 4.211 4.340 -0.002 0.000 0.208 234 L C 2.000 178.853 176.870 -0.028 0.000 1.073 234 L CA 1.256 56.096 54.840 -0.000 0.000 0.745 234 L CB -0.360 41.698 42.059 -0.001 0.000 0.894 234 L HN -0.051 nan 8.230 nan 0.000 0.432 235 I N -0.413 120.083 120.570 -0.125 0.000 2.286 235 I HA -0.280 3.888 4.170 -0.002 0.000 0.248 235 I C 2.288 178.368 176.117 -0.060 0.000 1.115 235 I CA 1.342 62.550 61.300 -0.153 0.000 1.392 235 I CB -1.429 36.284 38.000 -0.479 0.000 1.065 235 I HN 0.387 nan 8.210 nan 0.000 0.418 236 D N 0.610 121.009 120.400 -0.001 0.000 2.117 236 D HA -0.216 4.423 4.640 -0.002 0.000 0.197 236 D C 2.088 178.378 176.300 -0.017 0.000 0.987 236 D CA 1.123 55.151 54.000 0.047 0.000 0.829 236 D CB 0.126 41.000 40.800 0.123 0.000 0.961 236 D HN 0.415 nan 8.370 nan 0.000 0.460 237 E N -0.607 119.598 120.200 0.008 0.000 2.153 237 E HA -0.174 4.175 4.350 -0.002 0.000 0.194 237 E C 2.031 178.620 176.600 -0.018 0.000 0.988 237 E CA 0.416 56.816 56.400 0.000 0.000 0.811 237 E CB -0.105 29.607 29.700 0.020 0.000 0.746 237 E HN 0.201 nan 8.360 nan 0.000 0.466 238 F N 1.080 120.931 119.950 -0.165 0.000 2.084 238 F HA -0.216 4.310 4.527 -0.002 0.000 0.296 238 F C 2.051 177.679 175.800 -0.286 0.000 1.111 238 F CA 1.354 59.227 58.000 -0.211 0.000 1.224 238 F CB -0.329 38.525 39.000 -0.245 0.000 0.991 238 F HN -0.015 nan 8.300 nan 0.000 0.471 239 M N 0.885 120.029 119.600 -0.760 0.000 2.080 239 M HA -0.225 4.253 4.480 -0.002 0.000 0.260 239 M C 2.315 178.187 176.300 -0.714 0.000 1.068 239 M CA 1.968 56.628 55.300 -1.067 0.000 1.109 239 M CB -1.484 30.419 32.600 -1.161 0.000 1.342 239 M HN 0.302 nan 8.290 nan 0.000 0.405 240 K N 0.211 120.406 120.400 -0.342 0.000 2.057 240 K HA -0.083 4.236 4.320 -0.002 0.000 0.206 240 K C 2.011 178.519 176.600 -0.154 0.000 1.050 240 K CA 1.504 57.717 56.287 -0.124 0.000 0.935 240 K CB -0.066 32.420 32.500 -0.023 0.000 0.715 240 K HN 0.201 nan 8.250 nan 0.000 0.439 241 A N 1.724 124.435 122.820 -0.181 0.000 1.902 241 A HA -0.144 4.175 4.320 -0.002 0.000 0.217 241 A C 2.097 179.569 177.584 -0.186 0.000 1.181 241 A CA 1.355 53.306 52.037 -0.142 0.000 0.623 241 A CB -0.509 18.441 19.000 -0.083 0.000 0.818 241 A HN 0.321 nan 8.150 nan 0.000 0.443 242 I N 0.806 121.193 120.570 -0.305 0.000 2.179 242 I HA -0.212 3.956 4.170 -0.002 0.000 0.242 242 I C 2.840 178.879 176.117 -0.132 0.000 1.088 242 I CA 2.354 63.508 61.300 -0.244 0.000 1.357 242 I CB -1.761 35.931 38.000 -0.514 0.000 1.051 242 I HN 0.572 nan 8.210 nan 0.000 0.409 243 T N -1.951 112.496 114.554 -0.179 0.000 2.857 243 T HA -0.125 4.223 4.350 -0.002 0.000 0.266 243 T C 1.578 176.256 174.700 -0.038 0.000 1.048 243 T CA 1.077 63.145 62.100 -0.053 0.000 1.139 243 T CB -0.367 68.530 68.868 0.049 0.000 0.874 243 T HN 0.129 nan 8.240 nan 0.000 0.455 244 D N 1.313 121.671 120.400 -0.069 0.000 2.123 244 D HA -0.080 4.558 4.640 -0.002 0.000 0.196 244 D C 2.252 178.488 176.300 -0.108 0.000 0.992 244 D CA 1.126 55.086 54.000 -0.067 0.000 0.833 244 D CB -0.281 40.478 40.800 -0.069 0.000 0.954 244 D HN 0.465 nan 8.370 nan 0.000 0.455 245 R N -0.946 119.433 120.500 -0.201 0.000 2.080 245 R HA -0.043 4.295 4.340 -0.002 0.000 0.222 245 R C 1.658 177.734 176.300 -0.372 0.000 1.107 245 R CA 0.822 56.707 56.100 -0.358 0.000 0.980 245 R CB -0.051 29.875 30.300 -0.624 0.000 0.879 245 R HN 0.269 nan 8.270 nan 0.000 0.439 246 Y N -0.744 119.535 120.300 -0.034 0.000 2.458 246 Y HA 0.354 4.903 4.550 -0.002 0.000 0.254 246 Y C 0.671 176.546 175.900 -0.042 0.000 1.120 246 Y CA 0.081 58.161 58.100 -0.035 0.000 1.282 246 Y CB 1.449 39.870 38.460 -0.065 0.000 1.109 246 Y HN 0.328 nan 8.280 nan 0.000 0.526 247 G N -0.006 108.841 108.800 0.079 0.000 2.465 247 G HA2 -0.117 3.842 3.960 -0.002 0.000 0.681 247 G HA3 -0.117 3.842 3.960 -0.002 0.000 0.681 247 G C -0.165 174.753 174.900 0.030 0.000 1.340 247 G CA -0.897 44.228 45.100 0.041 0.000 0.884 247 G HN -0.088 nan 8.290 nan 0.000 0.650 248 R N 0.532 121.040 120.500 0.014 0.000 2.148 248 R HA -0.061 4.277 4.340 -0.002 0.000 0.227 248 R C 2.031 178.341 176.300 0.016 0.000 1.103 248 R CA 1.845 57.962 56.100 0.028 0.000 0.983 248 R CB -0.362 29.921 30.300 -0.029 0.000 0.874 248 R HN 0.684 nan 8.270 nan 0.000 0.451 249 N N -1.058 117.625 118.700 -0.028 0.000 2.314 249 N HA -0.010 4.729 4.740 -0.002 0.000 0.200 249 N C -0.434 175.071 175.510 -0.010 0.000 1.135 249 N CA -0.060 52.963 53.050 -0.045 0.000 0.835 249 N CB 0.034 38.473 38.487 -0.081 0.000 0.989 249 N HN -0.230 nan 8.380 nan 0.000 0.478 250 T N 1.594 116.146 114.554 -0.003 0.000 2.831 250 T HA -0.034 4.315 4.350 -0.002 0.000 0.291 250 T C 0.340 175.034 174.700 -0.010 0.000 0.981 250 T CA -0.227 61.858 62.100 -0.025 0.000 1.174 250 T CB 0.392 69.235 68.868 -0.042 0.000 0.929 250 T HN 0.278 nan 8.240 nan 0.000 0.532 251 L N 5.319 126.553 121.223 0.018 0.000 2.455 251 L HA 0.351 4.690 4.340 -0.002 0.000 0.272 251 L C -0.423 176.473 176.870 0.043 0.000 1.174 251 L CA 0.047 54.943 54.840 0.093 0.000 0.869 251 L CB 0.166 42.325 42.059 0.166 0.000 1.130 251 L HN 0.651 nan 8.230 nan 0.000 0.474 252 I N 5.563 126.172 120.570 0.066 0.000 2.448 252 I HA 0.207 4.376 4.170 -0.002 0.000 0.281 252 I C -0.375 175.741 176.117 -0.001 0.000 1.027 252 I CA -0.365 60.911 61.300 -0.040 0.000 1.111 252 I CB 1.767 39.683 38.000 -0.140 0.000 1.236 252 I HN 0.595 nan 8.210 nan 0.000 0.452 253 Q N 6.288 126.004 119.800 -0.140 0.000 2.360 253 Q HA 0.392 4.730 4.340 -0.002 0.000 0.254 253 Q C -1.299 174.516 176.000 -0.309 0.000 0.975 253 Q CA -0.651 54.917 55.803 -0.391 0.000 0.912 253 Q CB 0.835 29.342 28.738 -0.385 0.000 1.212 253 Q HN 0.411 nan 8.270 nan 0.000 0.452 254 F N 2.728 122.457 119.950 -0.369 0.000 2.443 254 F HA 0.231 4.757 4.527 -0.002 0.000 0.353 254 F C 0.445 176.168 175.800 -0.128 0.000 1.101 254 F CA -0.016 57.859 58.000 -0.208 0.000 1.226 254 F CB 1.079 39.862 39.000 -0.362 0.000 1.140 254 F HN 0.552 nan 8.300 nan 0.000 0.557 255 E N 1.512 121.831 120.200 0.198 0.000 2.275 255 E HA 0.327 4.675 4.350 -0.002 0.000 0.270 255 E C -1.258 175.443 176.600 0.167 0.000 0.882 255 E CA -0.587 55.870 56.400 0.094 0.000 0.758 255 E CB 0.991 30.645 29.700 -0.078 0.000 1.195 255 E HN 0.490 nan 8.360 nan 0.000 0.419 256 D N 2.192 122.660 120.400 0.113 0.000 2.689 256 D HA -0.220 4.419 4.640 -0.002 0.000 0.237 256 D C -0.984 175.340 176.300 0.039 0.000 1.148 256 D CA 0.949 54.977 54.000 0.046 0.000 0.656 256 D CB -1.328 39.443 40.800 -0.049 0.000 1.050 256 D HN 0.223 nan 8.370 nan 0.000 0.426 257 F N 0.441 120.416 119.950 0.041 0.000 2.403 257 F HA 0.566 5.092 4.527 -0.002 0.000 0.326 257 F C 1.863 177.692 175.800 0.047 0.000 1.081 257 F CA -0.070 57.988 58.000 0.097 0.000 1.041 257 F CB 0.943 40.068 39.000 0.209 0.000 1.234 257 F HN -0.035 nan 8.300 nan 0.000 0.503 258 G N 1.453 110.380 108.800 0.212 0.000 2.594 258 G HA2 -0.047 3.912 3.960 -0.002 0.000 0.243 258 G HA3 -0.047 3.912 3.960 -0.002 0.000 0.243 258 G C 0.943 175.926 174.900 0.138 0.000 1.229 258 G CA -0.363 44.812 45.100 0.125 0.000 0.843 258 G HN 0.738 nan 8.290 nan 0.000 0.578 259 N N 0.337 119.108 118.700 0.118 0.000 2.036 259 N HA -0.289 4.450 4.740 -0.002 0.000 0.199 259 N C 1.837 177.465 175.510 0.197 0.000 1.036 259 N CA 2.280 55.426 53.050 0.160 0.000 0.870 259 N CB -0.504 38.073 38.487 0.150 0.000 1.055 259 N HN 0.764 nan 8.380 nan 0.000 0.436 260 H N 0.646 119.752 119.070 0.061 0.000 2.265 260 H HA -0.027 4.528 4.556 -0.002 0.000 0.295 260 H C 1.852 177.156 175.328 -0.040 0.000 1.084 260 H CA 2.675 58.733 56.048 0.018 0.000 1.261 260 H CB -0.644 29.107 29.762 -0.018 0.000 1.360 260 H HN 0.457 nan 8.280 nan 0.000 0.487 261 N N -0.289 118.326 118.700 -0.141 0.000 2.166 261 N HA -0.139 4.599 4.740 -0.002 0.000 0.186 261 N C 2.069 177.347 175.510 -0.387 0.000 1.019 261 N CA 0.647 53.457 53.050 -0.400 0.000 0.856 261 N CB -0.156 38.345 38.487 0.023 0.000 0.993 261 N HN 0.472 nan 8.380 nan 0.000 0.426 262 A N 1.186 123.935 122.820 -0.118 0.000 1.873 262 A HA -0.178 4.140 4.320 -0.002 0.000 0.218 262 A C 1.858 179.216 177.584 -0.376 0.000 1.193 262 A CA 1.404 53.312 52.037 -0.215 0.000 0.629 262 A CB -1.017 17.855 19.000 -0.214 0.000 0.826 262 A HN 0.216 nan 8.150 nan 0.000 0.447 263 F N 0.433 120.213 119.950 -0.283 0.000 2.084 263 F HA -0.170 4.355 4.527 -0.002 0.000 0.296 263 F C 2.693 178.354 175.800 -0.232 0.000 1.111 263 F CA 1.892 59.706 58.000 -0.311 0.000 1.224 263 F CB -0.341 38.341 39.000 -0.530 0.000 0.991 263 F HN 0.273 nan 8.300 nan 0.000 0.471 264 R N -0.247 120.171 120.500 -0.137 0.000 2.127 264 R HA -0.187 4.151 4.340 -0.002 0.000 0.238 264 R C 2.110 178.308 176.300 -0.170 0.000 1.134 264 R CA 1.880 57.863 56.100 -0.195 0.000 0.975 264 R CB -1.513 28.548 30.300 -0.399 0.000 0.865 264 R HN 0.284 nan 8.270 nan 0.000 0.447 265 F N 0.798 120.583 119.950 -0.275 0.000 2.206 265 F HA -0.079 4.446 4.527 -0.002 0.000 0.298 265 F C 2.289 177.848 175.800 -0.401 0.000 1.090 265 F CA -0.075 57.686 58.000 -0.398 0.000 1.323 265 F CB -0.052 38.643 39.000 -0.508 0.000 1.028 265 F HN 0.005 nan 8.300 nan 0.000 0.492 266 L N 1.112 122.223 121.223 -0.187 0.000 2.005 266 L HA -0.179 4.159 4.340 -0.002 0.000 0.207 266 L C 2.462 179.323 176.870 -0.014 0.000 1.072 266 L CA 1.760 56.519 54.840 -0.135 0.000 0.744 266 L CB -0.760 41.207 42.059 -0.153 0.000 0.895 266 L HN -0.052 nan 8.230 nan 0.000 0.433 267 R N -0.170 120.339 120.500 0.015 0.000 2.105 267 R HA -0.224 4.115 4.340 -0.002 0.000 0.239 267 R C 2.438 178.719 176.300 -0.031 0.000 1.135 267 R CA 2.052 58.179 56.100 0.045 0.000 0.967 267 R CB -0.357 30.005 30.300 0.102 0.000 0.861 267 R HN 0.442 nan 8.270 nan 0.000 0.442 268 K N -1.144 119.173 120.400 -0.137 0.000 2.103 268 K HA -0.131 4.188 4.320 -0.002 0.000 0.204 268 K C 0.987 177.425 176.600 -0.270 0.000 1.052 268 K CA 1.423 57.534 56.287 -0.293 0.000 0.945 268 K CB 0.060 32.233 32.500 -0.545 0.000 0.722 268 K HN 0.360 nan 8.250 nan 0.000 0.443 269 Y N -0.037 120.305 120.300 0.070 0.000 2.442 269 Y HA 0.135 4.683 4.550 -0.002 0.000 0.250 269 Y C 1.899 177.900 175.900 0.168 0.000 1.113 269 Y CA -0.357 57.836 58.100 0.155 0.000 1.273 269 Y CB 0.327 38.892 38.460 0.174 0.000 1.138 269 Y HN 0.014 nan 8.280 nan 0.000 0.522 270 R N 0.666 121.306 120.500 0.233 0.000 2.159 270 R HA -0.133 4.206 4.340 -0.002 0.000 0.237 270 R C 0.617 176.997 176.300 0.134 0.000 1.131 270 R CA 1.697 57.929 56.100 0.220 0.000 0.982 270 R CB -0.260 30.142 30.300 0.171 0.000 0.868 270 R HN 0.204 nan 8.270 nan 0.000 0.453 271 E N 0.661 120.848 120.200 -0.021 0.000 2.472 271 E HA 0.015 4.363 4.350 -0.002 0.000 0.196 271 E C 1.105 177.477 176.600 -0.379 0.000 1.033 271 E CA 0.448 56.637 56.400 -0.352 0.000 0.886 271 E CB 0.553 30.125 29.700 -0.215 0.000 0.944 271 E HN 0.480 nan 8.360 nan 0.000 0.492 272 K N -0.637 119.752 120.400 -0.019 0.000 2.313 272 K HA 0.087 4.406 4.320 -0.002 0.000 0.197 272 K C -0.049 176.479 176.600 -0.121 0.000 1.061 272 K CA 0.395 56.633 56.287 -0.081 0.000 0.980 272 K CB 0.578 32.976 32.500 -0.170 0.000 0.888 272 K HN -0.088 nan 8.250 nan 0.000 0.502 273 Y N -1.273 119.215 120.300 0.314 0.000 2.693 273 Y HA 0.322 4.871 4.550 -0.002 0.000 0.331 273 Y C -0.702 175.319 175.900 0.203 0.000 1.092 273 Y CA -1.380 56.823 58.100 0.171 0.000 1.131 273 Y CB 1.280 39.777 38.460 0.061 0.000 1.318 273 Y HN -0.158 nan 8.280 nan 0.000 0.510 274 C N 2.048 121.500 119.300 0.252 0.000 2.135 274 C HA 0.681 5.140 4.460 -0.002 0.000 0.345 274 C C -0.086 175.061 174.990 0.262 0.000 1.067 274 C CA 0.202 59.328 59.018 0.180 0.000 1.517 274 C CB -2.007 25.774 27.740 0.069 0.000 1.923 274 C HN 0.697 nan 8.230 nan 0.000 0.466 275 T N 4.669 119.432 114.554 0.348 0.000 2.868 275 T HA 0.798 5.146 4.350 -0.002 0.000 0.306 275 T C -1.146 173.852 174.700 0.496 0.000 1.224 275 T CA -0.350 61.981 62.100 0.385 0.000 1.012 275 T CB 1.319 70.386 68.868 0.331 0.000 1.221 275 T HN 0.996 nan 8.240 nan 0.000 0.499 276 F N 1.349 121.459 119.950 0.266 0.000 2.713 276 F HA 0.642 5.168 4.527 -0.002 0.000 0.311 276 F C -1.450 174.453 175.800 0.172 0.000 1.141 276 F CA -1.146 56.994 58.000 0.233 0.000 0.939 276 F CB 1.355 40.603 39.000 0.414 0.000 1.325 276 F HN 0.495 nan 8.300 nan 0.000 0.453 277 N N 2.073 120.780 118.700 0.011 0.000 2.444 277 N HA 0.133 4.872 4.740 -0.002 0.000 0.262 277 N C -0.161 175.307 175.510 -0.070 0.000 0.974 277 N CA -0.133 52.825 53.050 -0.152 0.000 0.933 277 N CB 1.600 39.973 38.487 -0.189 0.000 1.137 277 N HN 0.948 nan 8.380 nan 0.000 0.498 278 D N 2.534 122.839 120.400 -0.158 0.000 2.123 278 D HA -0.143 4.496 4.640 -0.002 0.000 0.196 278 D C 0.696 177.045 176.300 0.081 0.000 0.992 278 D CA 1.375 55.437 54.000 0.103 0.000 0.833 278 D CB 0.334 41.137 40.800 0.005 0.000 0.954 278 D HN 0.578 nan 8.370 nan 0.000 0.455 279 D N -0.534 119.866 120.400 0.000 0.000 2.219 279 D HA -0.073 4.565 4.640 -0.002 0.000 0.205 279 D C 2.150 178.412 176.300 -0.063 0.000 0.970 279 D CA 0.549 54.542 54.000 -0.012 0.000 0.851 279 D CB 0.364 41.151 40.800 -0.022 0.000 0.943 279 D HN 0.392 nan 8.370 nan 0.000 0.488 280 I N 0.305 120.789 120.570 -0.143 0.000 2.512 280 I HA -0.142 4.027 4.170 -0.002 0.000 0.247 280 I C 2.303 178.320 176.117 -0.168 0.000 1.094 280 I CA 0.534 61.712 61.300 -0.204 0.000 1.427 280 I CB 0.033 37.790 38.000 -0.406 0.000 1.149 280 I HN -0.180 nan 8.210 nan 0.000 0.438 281 Q N 0.579 120.233 119.800 -0.244 0.000 2.165 281 Q HA 0.048 4.387 4.340 -0.002 0.000 0.197 281 Q C 2.275 177.963 176.000 -0.520 0.000 0.952 281 Q CA 1.185 56.651 55.803 -0.561 0.000 0.848 281 Q CB -0.246 27.846 28.738 -1.077 0.000 0.931 281 Q HN 0.533 nan 8.270 nan 0.000 0.470 282 G N 0.589 109.300 108.800 -0.147 0.000 2.421 282 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.216 282 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.216 282 G C 1.410 176.396 174.900 0.142 0.000 1.171 282 G CA 1.388 46.578 45.100 0.151 0.000 0.775 282 G HN 0.240 nan 8.290 nan 0.000 0.543 283 T N 1.585 116.205 114.554 0.110 0.000 2.833 283 T HA 0.044 4.392 4.350 -0.002 0.000 0.269 283 T C 2.751 177.519 174.700 0.114 0.000 1.054 283 T CA 1.369 63.538 62.100 0.116 0.000 1.135 283 T CB -0.269 68.653 68.868 0.089 0.000 0.869 283 T HN 0.380 nan 8.240 nan 0.000 0.466 284 A N 1.394 124.250 122.820 0.060 0.000 1.898 284 A HA 0.192 4.511 4.320 -0.002 0.000 0.216 284 A C 2.640 180.301 177.584 0.128 0.000 1.181 284 A CA 1.722 53.807 52.037 0.080 0.000 0.620 284 A CB -1.061 17.947 19.000 0.013 0.000 0.819 284 A HN 0.499 nan 8.150 nan 0.000 0.442 285 A N -0.304 122.594 122.820 0.130 0.000 1.877 285 A HA -0.002 4.316 4.320 -0.002 0.000 0.216 285 A C 2.220 179.922 177.584 0.196 0.000 1.186 285 A CA 1.929 54.078 52.037 0.187 0.000 0.620 285 A CB -1.066 18.093 19.000 0.264 0.000 0.822 285 A HN 0.535 nan 8.150 nan 0.000 0.443 286 V N -0.083 119.952 119.914 0.202 0.000 2.343 286 V HA -0.220 3.899 4.120 -0.002 0.000 0.247 286 V C 2.966 179.252 176.094 0.320 0.000 1.051 286 V CA 1.872 64.311 62.300 0.232 0.000 1.036 286 V CB -1.636 30.270 31.823 0.138 0.000 0.654 286 V HN 0.585 nan 8.190 nan 0.000 0.451 287 A N 0.409 123.398 122.820 0.282 0.000 1.877 287 A HA -0.197 4.122 4.320 -0.002 0.000 0.216 287 A C 2.202 179.997 177.584 0.350 0.000 1.186 287 A CA 2.176 54.443 52.037 0.384 0.000 0.620 287 A CB -0.659 18.550 19.000 0.348 0.000 0.822 287 A HN 0.454 nan 8.150 nan 0.000 0.443 288 L N -0.078 121.285 121.223 0.232 0.000 2.012 288 L HA -0.111 4.228 4.340 -0.002 0.000 0.210 288 L C 2.699 179.647 176.870 0.130 0.000 1.073 288 L CA 2.323 57.256 54.840 0.156 0.000 0.748 288 L CB -0.972 41.165 42.059 0.130 0.000 0.891 288 L HN 0.372 nan 8.230 nan 0.000 0.431 289 A N -0.509 122.401 122.820 0.150 0.000 1.917 289 A HA -0.187 4.132 4.320 -0.002 0.000 0.219 289 A C 2.347 179.897 177.584 -0.058 0.000 1.182 289 A CA 1.956 54.039 52.037 0.076 0.000 0.633 289 A CB -1.662 17.426 19.000 0.147 0.000 0.819 289 A HN 0.568 nan 8.150 nan 0.000 0.448 290 G N -0.778 108.017 108.800 -0.007 0.000 2.402 290 G HA2 -0.035 3.924 3.960 -0.002 0.000 0.216 290 G HA3 -0.035 3.924 3.960 -0.002 0.000 0.216 290 G C 1.323 176.288 174.900 0.108 0.000 1.162 290 G CA 0.995 45.993 45.100 -0.170 0.000 0.777 290 G HN 0.335 nan 8.290 nan 0.000 0.539 291 L N 0.539 121.846 121.223 0.139 0.000 2.083 291 L HA 0.100 4.439 4.340 -0.002 0.000 0.209 291 L C 2.903 179.748 176.870 -0.042 0.000 1.083 291 L CA 0.947 55.760 54.840 -0.046 0.000 0.752 291 L CB -1.009 40.981 42.059 -0.115 0.000 0.899 291 L HN 0.198 nan 8.230 nan 0.000 0.433 292 L N -1.156 120.057 121.223 -0.016 0.000 2.046 292 L HA -0.185 4.153 4.340 -0.002 0.000 0.208 292 L C 2.633 179.488 176.870 -0.024 0.000 1.077 292 L CA 1.165 55.998 54.840 -0.012 0.000 0.747 292 L CB -0.733 41.325 42.059 -0.001 0.000 0.896 292 L HN 0.249 nan 8.230 nan 0.000 0.432 293 A N 0.061 122.843 122.820 -0.064 0.000 1.902 293 A HA -0.146 4.172 4.320 -0.002 0.000 0.217 293 A C 2.527 180.096 177.584 -0.025 0.000 1.181 293 A CA 1.647 53.641 52.037 -0.073 0.000 0.623 293 A CB -0.641 18.255 19.000 -0.173 0.000 0.818 293 A HN 0.397 nan 8.150 nan 0.000 0.443 294 A N -1.000 121.815 122.820 -0.008 0.000 1.933 294 A HA -0.181 4.138 4.320 -0.002 0.000 0.218 294 A C 2.129 179.730 177.584 0.029 0.000 1.175 294 A CA 2.079 54.130 52.037 0.024 0.000 0.628 294 A CB -0.455 18.556 19.000 0.017 0.000 0.814 294 A HN 0.511 nan 8.150 nan 0.000 0.444 295 Q N 0.417 120.233 119.800 0.027 0.000 2.170 295 Q HA -0.107 4.231 4.340 -0.002 0.000 0.203 295 Q C 1.796 177.826 176.000 0.050 0.000 0.976 295 Q CA 1.993 57.836 55.803 0.066 0.000 0.858 295 Q CB -0.327 28.462 28.738 0.085 0.000 0.907 295 Q HN 0.685 nan 8.270 nan 0.000 0.433 296 K N -0.538 119.880 120.400 0.030 0.000 2.148 296 K HA -0.064 4.254 4.320 -0.002 0.000 0.204 296 K C 1.955 178.571 176.600 0.027 0.000 1.050 296 K CA 1.350 57.651 56.287 0.024 0.000 0.942 296 K CB -0.124 32.382 32.500 0.011 0.000 0.724 296 K HN 0.315 nan 8.250 nan 0.000 0.446 297 V N -1.092 118.841 119.914 0.033 0.000 2.649 297 V HA -0.008 4.111 4.120 -0.002 0.000 0.248 297 V C 1.625 177.745 176.094 0.043 0.000 1.054 297 V CA 1.072 63.396 62.300 0.041 0.000 1.073 297 V CB -0.202 31.654 31.823 0.055 0.000 0.699 297 V HN 0.159 nan 8.190 nan 0.000 0.463 298 I N 0.238 120.836 120.570 0.046 0.000 3.462 298 I HA 0.154 4.323 4.170 -0.002 0.000 0.290 298 I C 1.399 177.536 176.117 0.034 0.000 1.236 298 I CA 0.651 61.977 61.300 0.044 0.000 1.418 298 I CB 0.096 38.128 38.000 0.053 0.000 1.102 298 I HN 0.333 nan 8.210 nan 0.000 0.441 299 S N 1.994 117.715 115.700 0.036 0.000 3.550 299 S HA -0.178 4.291 4.470 -0.002 0.000 0.372 299 S C 0.391 174.994 174.600 0.005 0.000 0.966 299 S CA 0.752 58.966 58.200 0.023 0.000 1.229 299 S CB -1.237 61.972 63.200 0.014 0.000 0.917 299 S HN 0.339 nan 8.310 nan 0.000 0.496 300 K N 1.139 121.548 120.400 0.014 0.000 2.143 300 K HA 0.324 4.643 4.320 -0.002 0.000 0.272 300 K C -2.748 173.731 176.600 -0.201 0.000 1.001 300 K CA -2.217 54.035 56.287 -0.057 0.000 0.915 300 K CB 0.722 33.225 32.500 0.006 0.000 1.047 300 K HN -0.006 nan 8.250 nan 0.000 0.458 301 P HA -0.014 nan 4.420 nan 0.000 0.266 301 P C 0.706 177.712 177.300 -0.490 0.000 1.215 301 P CA -0.107 62.841 63.100 -0.253 0.000 0.763 301 P CB 0.310 31.918 31.700 -0.154 0.000 0.806 302 I N 3.820 124.192 120.570 -0.330 0.000 2.399 302 I HA -0.276 3.893 4.170 -0.002 0.000 0.254 302 I C 1.854 177.915 176.117 -0.093 0.000 1.146 302 I CA 2.071 63.267 61.300 -0.174 0.000 1.412 302 I CB -0.588 37.449 38.000 0.061 0.000 1.076 302 I HN 0.312 nan 8.210 nan 0.000 0.432 303 S N -0.143 115.495 115.700 -0.104 0.000 2.436 303 S HA -0.066 4.403 4.470 -0.002 0.000 0.228 303 S C 1.745 176.320 174.600 -0.042 0.000 1.014 303 S CA 0.910 59.087 58.200 -0.038 0.000 0.950 303 S CB -0.521 62.660 63.200 -0.031 0.000 0.784 303 S HN 0.661 nan 8.310 nan 0.000 0.504 304 E N 0.117 120.245 120.200 -0.121 0.000 2.489 304 E HA 0.059 4.408 4.350 -0.002 0.000 0.193 304 E C -0.385 176.204 176.600 -0.018 0.000 1.057 304 E CA -0.048 56.305 56.400 -0.079 0.000 0.866 304 E CB -0.003 29.634 29.700 -0.106 0.000 0.916 304 E HN 0.736 nan 8.360 nan 0.000 0.500 305 H N 1.290 120.370 119.070 0.017 0.000 2.848 305 H HA 0.139 4.694 4.556 -0.002 0.000 0.317 305 H C -0.001 175.353 175.328 0.044 0.000 1.046 305 H CA 0.076 56.133 56.048 0.015 0.000 1.470 305 H CB 0.601 30.374 29.762 0.019 0.000 1.483 305 H HN -0.203 nan 8.280 nan 0.000 0.548 306 K N 4.521 125.018 120.400 0.162 0.000 2.604 306 K HA 0.330 4.649 4.320 -0.002 0.000 0.247 306 K C -1.635 175.014 176.600 0.081 0.000 0.956 306 K CA -0.295 56.077 56.287 0.141 0.000 0.896 306 K CB 0.404 32.947 32.500 0.071 0.000 1.131 306 K HN 0.485 nan 8.250 nan 0.000 0.440 307 I N 5.074 125.719 120.570 0.125 0.000 2.339 307 I HA 0.333 4.501 4.170 -0.002 0.000 0.290 307 I C -0.868 175.304 176.117 0.093 0.000 0.994 307 I CA -1.252 60.048 61.300 -0.001 0.000 1.191 307 I CB 1.327 39.266 38.000 -0.101 0.000 1.343 307 I HN 0.436 nan 8.210 nan 0.000 0.458 308 L N 7.869 129.090 121.223 -0.004 0.000 2.305 308 L HA 0.558 4.896 4.340 -0.002 0.000 0.284 308 L C -1.272 175.694 176.870 0.160 0.000 1.013 308 L CA 0.022 54.954 54.840 0.154 0.000 0.819 308 L CB 0.779 42.864 42.059 0.043 0.000 1.227 308 L HN 0.232 nan 8.230 nan 0.000 0.417 309 F N 5.048 125.191 119.950 0.322 0.000 2.404 309 F HA 0.434 4.960 4.527 -0.002 0.000 0.339 309 F C -0.032 175.992 175.800 0.375 0.000 1.105 309 F CA -0.366 57.803 58.000 0.282 0.000 1.087 309 F CB 1.600 40.694 39.000 0.157 0.000 1.143 309 F HN 0.375 nan 8.300 nan 0.000 0.491 310 L N 4.152 125.615 121.223 0.401 0.000 2.288 310 L HA 0.748 5.087 4.340 -0.002 0.000 0.283 310 L C -0.048 176.929 176.870 0.178 0.000 1.072 310 L CA 0.331 55.244 54.840 0.121 0.000 0.862 310 L CB -0.202 41.634 42.059 -0.371 0.000 1.245 310 L HN 0.717 nan 8.230 nan 0.000 0.432 311 G N 3.407 112.353 108.800 0.243 0.000 2.484 311 G HA2 0.412 4.371 3.960 -0.002 0.000 0.685 311 G HA3 0.412 4.371 3.960 -0.002 0.000 0.685 311 G C -0.659 174.315 174.900 0.124 0.000 1.294 311 G CA -0.365 44.820 45.100 0.141 0.000 0.879 311 G HN 1.262 nan 8.290 nan 0.000 0.646 312 A N 0.024 122.874 122.820 0.049 0.000 2.709 312 A HA 0.816 5.135 4.320 -0.002 0.000 0.241 312 A C 0.900 178.471 177.584 -0.023 0.000 0.879 312 A CA 1.044 53.075 52.037 -0.010 0.000 1.120 312 A CB -0.067 18.953 19.000 0.033 0.000 1.226 312 A HN 2.235 nan 8.150 nan 0.000 0.468 313 G N -0.625 108.177 108.800 0.003 0.000 2.940 313 G HA2 0.433 4.391 3.960 -0.002 0.000 0.164 313 G HA3 0.433 4.391 3.960 -0.002 0.000 0.164 313 G C 0.575 175.574 174.900 0.165 0.000 1.326 313 G CA 0.211 45.352 45.100 0.069 0.000 1.020 313 G HN 0.250 nan 8.290 nan 0.000 0.586 314 E N -0.241 120.091 120.200 0.221 0.000 2.065 314 E HA -0.246 4.103 4.350 -0.002 0.000 0.201 314 E C 2.746 179.360 176.600 0.023 0.000 1.016 314 E CA 1.594 58.050 56.400 0.092 0.000 0.818 314 E CB -0.219 29.431 29.700 -0.083 0.000 0.749 314 E HN 0.372 nan 8.360 nan 0.000 0.453 315 A N 1.211 124.038 122.820 0.013 0.000 1.872 315 A HA -0.013 4.306 4.320 -0.002 0.000 0.214 315 A C 2.391 179.948 177.584 -0.045 0.000 1.187 315 A CA 1.550 53.594 52.037 0.012 0.000 0.614 315 A CB -0.743 18.288 19.000 0.052 0.000 0.826 315 A HN 0.294 nan 8.150 nan 0.000 0.442 316 A N 0.044 122.787 122.820 -0.129 0.000 1.865 316 A HA -0.124 4.194 4.320 -0.002 0.000 0.217 316 A C 2.193 179.391 177.584 -0.644 0.000 1.191 316 A CA 1.702 53.409 52.037 -0.549 0.000 0.623 316 A CB -0.816 17.913 19.000 -0.451 0.000 0.826 316 A HN 0.477 nan 8.150 nan 0.000 0.444 317 L N -0.772 120.282 121.223 -0.282 0.000 2.046 317 L HA -0.129 4.210 4.340 -0.002 0.000 0.208 317 L C 2.861 179.709 176.870 -0.037 0.000 1.077 317 L CA 1.106 55.860 54.840 -0.144 0.000 0.747 317 L CB -0.968 41.120 42.059 0.049 0.000 0.896 317 L HN 0.515 nan 8.230 nan 0.000 0.432 318 G N 0.542 109.350 108.800 0.013 0.000 2.433 318 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.216 318 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.216 318 G C 1.580 176.486 174.900 0.009 0.000 1.186 318 G CA 0.805 45.916 45.100 0.019 0.000 0.779 318 G HN 0.276 nan 8.290 nan 0.000 0.543 319 I N 1.480 122.044 120.570 -0.010 0.000 2.179 319 I HA -0.189 3.979 4.170 -0.002 0.000 0.242 319 I C 3.336 179.507 176.117 0.089 0.000 1.088 319 I CA 1.009 62.367 61.300 0.096 0.000 1.357 319 I CB -0.346 37.814 38.000 0.267 0.000 1.051 319 I HN 0.249 nan 8.210 nan 0.000 0.409 320 A N 0.978 123.712 122.820 -0.143 0.000 1.883 320 A HA -0.290 4.028 4.320 -0.002 0.000 0.217 320 A C 2.218 179.827 177.584 0.040 0.000 1.186 320 A CA 2.248 54.163 52.037 -0.204 0.000 0.624 320 A CB -1.021 17.371 19.000 -1.012 0.000 0.822 320 A HN 0.539 nan 8.150 nan 0.000 0.444 321 N N -0.415 118.345 118.700 0.100 0.000 2.149 321 N HA -0.155 4.584 4.740 -0.002 0.000 0.188 321 N C 1.670 177.287 175.510 0.178 0.000 1.019 321 N CA 1.639 54.825 53.050 0.227 0.000 0.857 321 N CB -0.197 38.421 38.487 0.219 0.000 0.997 321 N HN 0.319 nan 8.380 nan 0.000 0.426 322 L N 1.463 122.771 121.223 0.140 0.000 2.109 322 L HA 0.081 4.420 4.340 -0.002 0.000 0.207 322 L C 2.246 179.195 176.870 0.133 0.000 1.086 322 L CA 0.814 55.735 54.840 0.135 0.000 0.760 322 L CB -0.469 41.667 42.059 0.127 0.000 0.910 322 L HN 0.175 nan 8.230 nan 0.000 0.437 323 I N -1.895 118.759 120.570 0.140 0.000 2.226 323 I HA -0.300 3.869 4.170 -0.002 0.000 0.245 323 I C 2.308 178.510 176.117 0.143 0.000 1.100 323 I CA 1.036 62.415 61.300 0.131 0.000 1.374 323 I CB -0.332 37.754 38.000 0.143 0.000 1.057 323 I HN 0.024 nan 8.210 nan 0.000 0.413 324 V N 0.644 120.668 119.914 0.183 0.000 2.343 324 V HA -0.314 3.805 4.120 -0.002 0.000 0.247 324 V C 2.467 178.644 176.094 0.137 0.000 1.051 324 V CA 1.887 64.298 62.300 0.185 0.000 1.036 324 V CB -0.457 31.509 31.823 0.239 0.000 0.654 324 V HN 0.391 nan 8.190 nan 0.000 0.451 325 M N -0.454 119.225 119.600 0.132 0.000 2.149 325 M HA -0.181 4.298 4.480 -0.002 0.000 0.261 325 M C 2.464 178.819 176.300 0.093 0.000 1.064 325 M CA 2.092 57.457 55.300 0.108 0.000 1.102 325 M CB -0.501 32.165 32.600 0.111 0.000 1.369 325 M HN 0.437 nan 8.290 nan 0.000 0.408 326 S N 0.466 116.223 115.700 0.094 0.000 2.371 326 S HA -0.067 4.402 4.470 -0.002 0.000 0.224 326 S C 1.867 176.516 174.600 0.082 0.000 1.029 326 S CA 1.013 59.262 58.200 0.080 0.000 0.978 326 S CB -0.041 63.205 63.200 0.077 0.000 0.833 326 S HN 0.403 nan 8.310 nan 0.000 0.466 327 M N 0.670 120.327 119.600 0.095 0.000 2.229 327 M HA -0.042 4.437 4.480 -0.002 0.000 0.264 327 M C 2.073 178.422 176.300 0.081 0.000 1.063 327 M CA 0.995 56.353 55.300 0.097 0.000 1.114 327 M CB -0.425 32.244 32.600 0.115 0.000 1.387 327 M HN 0.223 nan 8.290 nan 0.000 0.420 328 V N 0.507 120.468 119.914 0.079 0.000 2.307 328 V HA -0.219 3.900 4.120 -0.002 0.000 0.245 328 V C 1.987 178.117 176.094 0.059 0.000 1.045 328 V CA 1.776 64.116 62.300 0.066 0.000 1.024 328 V CB -0.688 31.176 31.823 0.068 0.000 0.651 328 V HN 0.468 nan 8.190 nan 0.000 0.449 329 E N 0.246 120.483 120.200 0.062 0.000 2.401 329 E HA -0.137 4.212 4.350 -0.002 0.000 0.199 329 E C 1.044 177.674 176.600 0.051 0.000 1.023 329 E CA 0.515 56.949 56.400 0.056 0.000 0.859 329 E CB -0.148 29.587 29.700 0.058 0.000 0.780 329 E HN 0.563 nan 8.360 nan 0.000 0.523 330 N N -0.115 118.618 118.700 0.054 0.000 2.279 330 N HA 0.046 4.784 4.740 -0.002 0.000 0.226 330 N C 0.415 175.951 175.510 0.044 0.000 1.126 330 N CA 0.497 53.578 53.050 0.050 0.000 0.846 330 N CB 1.404 39.927 38.487 0.059 0.000 1.050 330 N HN 0.200 nan 8.380 nan 0.000 0.502 331 G N 0.871 109.696 108.800 0.041 0.000 2.132 331 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.228 331 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.228 331 G C -0.400 174.521 174.900 0.035 0.000 1.000 331 G CA -0.156 44.965 45.100 0.034 0.000 0.693 331 G HN 0.271 nan 8.290 nan 0.000 0.515 332 L N 1.419 122.668 121.223 0.043 0.000 2.342 332 L HA 0.832 5.171 4.340 -0.002 0.000 0.271 332 L C 0.914 177.809 176.870 0.042 0.000 1.008 332 L CA -0.111 54.756 54.840 0.044 0.000 0.818 332 L CB 1.930 44.024 42.059 0.059 0.000 1.296 332 L HN 0.570 nan 8.230 nan 0.000 0.427 333 S N 1.449 117.169 115.700 0.033 0.000 2.601 333 S HA 0.202 4.671 4.470 -0.002 0.000 0.271 333 S C 0.923 175.543 174.600 0.032 0.000 1.305 333 S CA -0.043 58.173 58.200 0.027 0.000 1.022 333 S CB 0.884 64.093 63.200 0.015 0.000 0.940 333 S HN 0.783 nan 8.310 nan 0.000 0.525 334 E N 0.902 121.118 120.200 0.027 0.000 2.070 334 E HA -0.299 4.049 4.350 -0.002 0.000 0.197 334 E C 2.072 178.680 176.600 0.013 0.000 1.004 334 E CA 1.747 58.164 56.400 0.028 0.000 0.805 334 E CB -0.215 29.493 29.700 0.013 0.000 0.744 334 E HN 0.876 nan 8.360 nan 0.000 0.451 335 Q N 0.255 120.052 119.800 -0.005 0.000 2.061 335 Q HA -0.247 4.092 4.340 -0.002 0.000 0.204 335 Q C 2.094 178.089 176.000 -0.008 0.000 0.984 335 Q CA 2.219 58.009 55.803 -0.021 0.000 0.846 335 Q CB -0.114 28.609 28.738 -0.026 0.000 0.902 335 Q HN 0.447 nan 8.270 nan 0.000 0.421 336 E N -0.515 119.688 120.200 0.006 0.000 2.150 336 E HA -0.164 4.185 4.350 -0.002 0.000 0.193 336 E C 1.846 178.473 176.600 0.044 0.000 0.985 336 E CA 0.959 57.367 56.400 0.014 0.000 0.814 336 E CB -0.293 29.419 29.700 0.018 0.000 0.752 336 E HN 0.380 nan 8.360 nan 0.000 0.466 337 A N 1.682 124.544 122.820 0.069 0.000 1.873 337 A HA -0.233 4.085 4.320 -0.002 0.000 0.215 337 A C 2.218 179.903 177.584 0.168 0.000 1.186 337 A CA 1.671 53.778 52.037 0.118 0.000 0.616 337 A CB -0.550 18.524 19.000 0.123 0.000 0.823 337 A HN 0.304 nan 8.150 nan 0.000 0.442 338 Q N -0.205 119.683 119.800 0.147 0.000 2.124 338 Q HA -0.168 4.170 4.340 -0.002 0.000 0.202 338 Q C 1.847 177.983 176.000 0.227 0.000 0.977 338 Q CA 1.610 57.541 55.803 0.212 0.000 0.850 338 Q CB -0.233 28.470 28.738 -0.058 0.000 0.901 338 Q HN 0.628 nan 8.270 nan 0.000 0.429 339 K N 0.433 120.852 120.400 0.031 0.000 2.362 339 K HA -0.070 4.248 4.320 -0.002 0.000 0.200 339 K C 1.453 177.983 176.600 -0.116 0.000 1.046 339 K CA 0.625 56.757 56.287 -0.259 0.000 0.952 339 K CB 0.183 32.539 32.500 -0.239 0.000 0.753 339 K HN 0.032 nan 8.250 nan 0.000 0.466 340 K N 0.470 120.938 120.400 0.113 0.000 2.487 340 K HA 0.117 4.436 4.320 -0.002 0.000 0.192 340 K C 0.515 177.320 176.600 0.341 0.000 1.027 340 K CA 0.455 56.876 56.287 0.223 0.000 1.054 340 K CB 0.281 32.900 32.500 0.199 0.000 0.824 340 K HN 0.173 nan 8.250 nan 0.000 0.510 341 I N 0.633 121.421 120.570 0.364 0.000 2.406 341 I HA 0.249 4.418 4.170 -0.002 0.000 0.290 341 I C -0.919 175.460 176.117 0.437 0.000 0.999 341 I CA -0.899 60.668 61.300 0.445 0.000 1.124 341 I CB 1.002 39.242 38.000 0.400 0.000 1.289 341 I HN -0.126 nan 8.210 nan 0.000 0.441 342 W N 6.345 127.865 121.300 0.366 0.000 2.799 342 W HA 0.731 5.390 4.660 -0.002 0.000 0.349 342 W C -0.489 176.236 176.519 0.344 0.000 1.100 342 W CA -0.554 56.989 57.345 0.330 0.000 1.174 342 W CB 1.356 30.986 29.460 0.283 0.000 1.427 342 W HN 0.114 nan 8.180 nan 0.000 0.547 343 M N 2.334 122.252 119.600 0.530 0.000 2.446 343 M HA 0.410 4.889 4.480 -0.002 0.000 0.294 343 M C -1.664 174.926 176.300 0.483 0.000 1.158 343 M CA -0.744 54.832 55.300 0.461 0.000 0.899 343 M CB 2.722 35.467 32.600 0.242 0.000 1.687 343 M HN 0.353 nan 8.290 nan 0.000 0.455 344 F N 3.719 123.877 119.950 0.347 0.000 2.513 344 F HA 0.356 4.881 4.527 -0.002 0.000 0.358 344 F C -0.369 175.565 175.800 0.223 0.000 1.118 344 F CA -0.680 57.508 58.000 0.314 0.000 1.037 344 F CB 0.478 39.753 39.000 0.459 0.000 1.276 344 F HN 0.647 nan 8.300 nan 0.000 0.446 345 D N 3.823 124.225 120.400 0.004 0.000 2.507 345 D HA 0.125 4.764 4.640 -0.002 0.000 0.280 345 D C 1.013 177.203 176.300 -0.184 0.000 1.219 345 D CA -0.438 53.554 54.000 -0.014 0.000 1.085 345 D CB 0.427 41.235 40.800 0.013 0.000 1.134 345 D HN 0.570 nan 8.370 nan 0.000 0.583 346 K N -1.132 119.110 120.400 -0.262 0.000 2.360 346 K HA -0.168 4.150 4.320 -0.002 0.000 0.201 346 K C 1.085 177.332 176.600 -0.588 0.000 1.046 346 K CA 1.237 57.268 56.287 -0.426 0.000 0.940 346 K CB -0.567 31.598 32.500 -0.558 0.000 0.748 346 K HN 0.445 nan 8.250 nan 0.000 0.465 347 Y N 0.544 120.751 120.300 -0.154 0.000 2.449 347 Y HA 0.271 4.819 4.550 -0.002 0.000 0.254 347 Y C 1.211 176.939 175.900 -0.288 0.000 1.140 347 Y CA 0.015 58.022 58.100 -0.154 0.000 1.272 347 Y CB 1.280 39.680 38.460 -0.100 0.000 1.114 347 Y HN 0.369 nan 8.280 nan 0.000 0.525 348 G N 0.319 108.782 108.800 -0.562 0.000 2.318 348 G HA2 -0.091 3.868 3.960 -0.002 0.000 0.367 348 G HA3 -0.091 3.868 3.960 -0.002 0.000 0.367 348 G C -1.762 172.608 174.900 -0.882 0.000 1.260 348 G CA -1.089 43.360 45.100 -1.084 0.000 1.055 348 G HN -0.033 nan 8.290 nan 0.000 0.484 349 L N 0.940 121.974 121.223 -0.315 0.000 2.455 349 L HA 0.483 4.822 4.340 -0.002 0.000 0.272 349 L C 0.904 177.851 176.870 0.129 0.000 1.174 349 L CA -0.404 54.530 54.840 0.157 0.000 0.869 349 L CB 0.442 42.713 42.059 0.354 0.000 1.130 349 L HN 0.469 nan 8.230 nan 0.000 0.474 350 L N 7.265 128.597 121.223 0.182 0.000 2.454 350 L HA 0.222 4.560 4.340 -0.002 0.000 0.284 350 L C -0.260 176.680 176.870 0.117 0.000 1.139 350 L CA -0.172 54.736 54.840 0.113 0.000 0.911 350 L CB -0.175 41.940 42.059 0.092 0.000 1.262 350 L HN 0.510 nan 8.230 nan 0.000 0.453 351 V N 0.754 120.732 119.914 0.107 0.000 2.769 351 V HA 0.471 4.590 4.120 -0.002 0.000 0.312 351 V C 0.159 176.285 176.094 0.053 0.000 1.061 351 V CA -1.452 60.916 62.300 0.114 0.000 0.931 351 V CB 1.989 33.921 31.823 0.182 0.000 1.010 351 V HN 0.542 nan 8.190 nan 0.000 0.433 352 K N 2.368 122.791 120.400 0.038 0.000 2.491 352 K HA 0.395 4.713 4.320 -0.002 0.000 0.279 352 K C 1.200 177.813 176.600 0.023 0.000 1.026 352 K CA 1.061 57.357 56.287 0.016 0.000 1.070 352 K CB 0.217 32.726 32.500 0.015 0.000 0.887 352 K HN 1.604 nan 8.250 nan 0.000 0.481 353 G N 2.307 111.111 108.800 0.007 0.000 2.176 353 G HA2 -0.326 3.632 3.960 -0.002 0.000 0.253 353 G HA3 -0.326 3.632 3.960 -0.002 0.000 0.253 353 G C 0.136 175.039 174.900 0.005 0.000 0.979 353 G CA 0.433 45.537 45.100 0.006 0.000 0.641 353 G HN 0.734 nan 8.290 nan 0.000 0.530 354 R N -0.117 120.388 120.500 0.008 0.000 2.707 354 R HA 0.615 4.953 4.340 -0.002 0.000 0.270 354 R C 1.422 177.708 176.300 -0.023 0.000 1.083 354 R CA 0.004 56.106 56.100 0.003 0.000 1.182 354 R CB 0.607 30.915 30.300 0.014 0.000 1.084 354 R HN -0.055 nan 8.270 nan 0.000 0.528 355 K N 0.850 121.229 120.400 -0.034 0.000 2.025 355 K HA 0.005 4.324 4.320 -0.002 0.000 0.207 355 K C 0.766 177.297 176.600 -0.115 0.000 1.049 355 K CA 1.383 57.631 56.287 -0.065 0.000 0.933 355 K CB -0.456 32.007 32.500 -0.062 0.000 0.714 355 K HN 0.757 nan 8.250 nan 0.000 0.438 356 A N 3.067 125.797 122.820 -0.150 0.000 2.498 356 A HA 0.058 4.376 4.320 -0.002 0.000 0.239 356 A C 0.036 177.530 177.584 -0.149 0.000 1.068 356 A CA -0.197 51.684 52.037 -0.259 0.000 0.766 356 A CB 0.160 18.990 19.000 -0.283 0.000 1.003 356 A HN 0.056 nan 8.150 nan 0.000 0.497 357 K N 1.125 121.428 120.400 -0.162 0.000 2.469 357 K HA 0.238 4.557 4.320 -0.002 0.000 0.274 357 K C -0.363 176.211 176.600 -0.044 0.000 0.983 357 K CA 0.199 56.432 56.287 -0.089 0.000 0.974 357 K CB 0.244 32.693 32.500 -0.085 0.000 0.913 357 K HN 0.460 nan 8.250 nan 0.000 0.493 358 I N 2.845 123.394 120.570 -0.034 0.000 2.500 358 I HA 0.061 4.229 4.170 -0.002 0.000 0.286 358 I C -0.005 176.097 176.117 -0.024 0.000 1.063 358 I CA -1.158 60.129 61.300 -0.021 0.000 1.062 358 I CB 1.450 39.434 38.000 -0.026 0.000 1.223 358 I HN 0.653 nan 8.210 nan 0.000 0.435 359 D N 3.758 124.151 120.400 -0.012 0.000 2.506 359 D HA 0.206 4.845 4.640 -0.002 0.000 0.272 359 D C 1.160 177.441 176.300 -0.032 0.000 1.214 359 D CA -0.340 53.655 54.000 -0.009 0.000 1.067 359 D CB 0.597 41.415 40.800 0.031 0.000 1.117 359 D HN 0.402 nan 8.370 nan 0.000 0.578 360 S N -1.219 114.436 115.700 -0.075 0.000 2.399 360 S HA -0.235 4.233 4.470 -0.002 0.000 0.231 360 S C 1.998 176.484 174.600 -0.189 0.000 1.022 360 S CA 0.756 58.855 58.200 -0.169 0.000 0.983 360 S CB -1.086 61.955 63.200 -0.264 0.000 0.803 360 S HN 0.558 nan 8.310 nan 0.000 0.480 361 Y N 2.262 122.475 120.300 -0.145 0.000 2.242 361 Y HA -0.001 4.548 4.550 -0.002 0.000 0.291 361 Y C 2.917 178.786 175.900 -0.051 0.000 1.137 361 Y CA 1.385 59.400 58.100 -0.142 0.000 1.181 361 Y CB -0.422 37.836 38.460 -0.338 0.000 0.989 361 Y HN 0.370 nan 8.280 nan 0.000 0.527 362 Q N -0.336 119.524 119.800 0.099 0.000 2.331 362 Q HA -0.134 4.205 4.340 -0.002 0.000 0.203 362 Q C 2.069 178.080 176.000 0.018 0.000 0.944 362 Q CA 0.579 56.445 55.803 0.106 0.000 0.892 362 Q CB -0.045 28.720 28.738 0.046 0.000 0.983 362 Q HN 0.433 nan 8.270 nan 0.000 0.482 363 E N 1.483 121.646 120.200 -0.062 0.000 2.086 363 E HA -0.207 4.142 4.350 -0.002 0.000 0.200 363 E C -0.831 175.634 176.600 -0.224 0.000 1.012 363 E CA 1.592 57.917 56.400 -0.125 0.000 0.812 363 E CB -0.784 28.842 29.700 -0.123 0.000 0.743 363 E HN 0.244 nan 8.360 nan 0.000 0.453 364 P HA -0.110 nan 4.420 nan 0.000 0.223 364 P C 0.386 177.214 177.300 -0.787 0.000 1.144 364 P CA 1.169 63.913 63.100 -0.593 0.000 0.783 364 P CB -0.207 31.015 31.700 -0.798 0.000 0.771 365 F N -2.833 116.987 119.950 -0.216 0.000 2.661 365 F HA 0.192 4.718 4.527 -0.002 0.000 0.306 365 F C 0.553 175.899 175.800 -0.758 0.000 1.094 365 F CA -0.138 57.620 58.000 -0.404 0.000 1.254 365 F CB -0.118 38.780 39.000 -0.169 0.000 1.040 365 F HN -0.377 nan 8.300 nan 0.000 0.562 366 T N 1.830 116.106 114.554 -0.463 0.000 2.762 366 T HA 0.262 4.610 4.350 -0.002 0.000 0.303 366 T C -0.186 174.258 174.700 -0.427 0.000 0.977 366 T CA -0.288 61.592 62.100 -0.365 0.000 0.961 366 T CB 0.097 68.878 68.868 -0.145 0.000 0.944 366 T HN 0.067 nan 8.240 nan 0.000 0.481 367 H N 0.800 119.731 119.070 -0.231 0.000 2.570 367 H HA 0.449 5.004 4.556 -0.002 0.000 0.342 367 H C 0.474 175.766 175.328 -0.061 0.000 1.245 367 H CA -1.105 54.783 56.048 -0.267 0.000 1.318 367 H CB 0.736 30.091 29.762 -0.678 0.000 1.694 367 H HN 0.390 nan 8.280 nan 0.000 0.592 368 S N 0.399 116.180 115.700 0.135 0.000 2.549 368 S HA 0.222 4.690 4.470 -0.002 0.000 0.286 368 S C 0.455 175.196 174.600 0.235 0.000 1.314 368 S CA -0.470 57.814 58.200 0.139 0.000 1.062 368 S CB 0.232 63.497 63.200 0.108 0.000 0.865 368 S HN 0.727 nan 8.310 nan 0.000 0.498 369 A N 5.809 128.745 122.820 0.193 0.000 2.567 369 A HA 0.293 4.612 4.320 -0.002 0.000 0.240 369 A C -1.178 176.532 177.584 0.211 0.000 1.053 369 A CA -0.775 51.392 52.037 0.217 0.000 0.755 369 A CB -0.531 18.552 19.000 0.138 0.000 0.978 369 A HN 0.595 nan 8.150 nan 0.000 0.507 370 P HA 0.153 nan 4.420 nan 0.000 0.286 370 P C 0.353 177.696 177.300 0.072 0.000 1.293 370 P CA -0.215 62.962 63.100 0.128 0.000 0.770 370 P CB 0.444 32.151 31.700 0.012 0.000 1.206 371 E N -0.105 120.117 120.200 0.036 0.000 2.068 371 E HA -0.156 4.193 4.350 -0.002 0.000 0.207 371 E C 0.781 177.395 176.600 0.023 0.000 1.032 371 E CA 1.813 58.227 56.400 0.023 0.000 0.839 371 E CB -0.888 28.814 29.700 0.002 0.000 0.758 371 E HN 0.581 nan 8.360 nan 0.000 0.457 372 S N -0.336 115.371 115.700 0.012 0.000 2.566 372 S HA 0.590 5.059 4.470 -0.002 0.000 0.298 372 S C -0.326 174.292 174.600 0.030 0.000 1.083 372 S CA -1.064 57.147 58.200 0.018 0.000 0.978 372 S CB 1.755 64.957 63.200 0.004 0.000 1.073 372 S HN 0.003 nan 8.310 nan 0.000 0.491 373 I N 3.174 123.773 120.570 0.048 0.000 2.315 373 I HA 0.391 4.559 4.170 -0.002 0.000 0.291 373 I C -1.993 174.173 176.117 0.082 0.000 1.006 373 I CA -2.429 58.916 61.300 0.075 0.000 1.265 373 I CB 0.571 38.620 38.000 0.082 0.000 1.387 373 I HN 0.547 nan 8.210 nan 0.000 0.475 374 P HA 0.218 nan 4.420 nan 0.000 0.275 374 P C -0.345 177.087 177.300 0.219 0.000 1.228 374 P CA -0.141 63.036 63.100 0.130 0.000 0.786 374 P CB 1.847 33.615 31.700 0.114 0.000 0.927 375 D N -0.067 120.441 120.400 0.179 0.000 2.259 375 D HA -0.002 4.637 4.640 -0.002 0.000 0.216 375 D C 1.002 177.500 176.300 0.330 0.000 0.961 375 D CA 1.338 55.461 54.000 0.205 0.000 0.878 375 D CB -0.051 40.824 40.800 0.124 0.000 1.009 375 D HN 0.520 nan 8.370 nan 0.000 0.490 376 T N -2.654 112.036 114.554 0.227 0.000 2.949 376 T HA 0.267 4.616 4.350 -0.002 0.000 0.287 376 T C 0.809 175.426 174.700 -0.140 0.000 1.034 376 T CA -0.819 61.393 62.100 0.187 0.000 1.018 376 T CB 1.417 70.342 68.868 0.094 0.000 1.135 376 T HN -0.137 nan 8.240 nan 0.000 0.532 377 F N 0.648 120.287 119.950 -0.519 0.000 2.216 377 F HA 0.013 4.538 4.527 -0.002 0.000 0.300 377 F C 2.395 177.942 175.800 -0.422 0.000 1.085 377 F CA 1.839 59.321 58.000 -0.864 0.000 1.326 377 F CB -0.234 38.468 39.000 -0.496 0.000 1.027 377 F HN 0.913 nan 8.300 nan 0.000 0.497 378 E N -0.015 120.082 120.200 -0.172 0.000 2.077 378 E HA -0.240 4.109 4.350 -0.002 0.000 0.193 378 E C 1.764 178.216 176.600 -0.247 0.000 0.989 378 E CA 1.692 57.981 56.400 -0.185 0.000 0.800 378 E CB -0.205 29.457 29.700 -0.063 0.000 0.746 378 E HN 0.392 nan 8.360 nan 0.000 0.452 379 D N 0.377 120.665 120.400 -0.186 0.000 2.117 379 D HA -0.163 4.475 4.640 -0.002 0.000 0.197 379 D C 1.871 178.033 176.300 -0.230 0.000 0.987 379 D CA 1.340 55.252 54.000 -0.147 0.000 0.829 379 D CB -0.350 40.420 40.800 -0.049 0.000 0.961 379 D HN 0.312 nan 8.370 nan 0.000 0.460 380 A N 0.825 123.432 122.820 -0.354 0.000 1.940 380 A HA -0.143 4.175 4.320 -0.002 0.000 0.219 380 A C 2.570 179.852 177.584 -0.502 0.000 1.176 380 A CA 1.227 53.015 52.037 -0.415 0.000 0.631 380 A CB -0.712 17.933 19.000 -0.592 0.000 0.814 380 A HN 0.153 nan 8.150 nan 0.000 0.446 381 V N 0.823 120.363 119.914 -0.623 0.000 2.358 381 V HA -0.223 3.895 4.120 -0.002 0.000 0.246 381 V C 2.238 178.133 176.094 -0.331 0.000 1.047 381 V CA 2.062 64.050 62.300 -0.520 0.000 1.035 381 V CB -0.862 30.649 31.823 -0.521 0.000 0.658 381 V HN 0.553 nan 8.190 nan 0.000 0.452 382 N N -0.052 118.487 118.700 -0.269 0.000 2.270 382 N HA 0.008 4.747 4.740 -0.002 0.000 0.181 382 N C 1.740 177.143 175.510 -0.178 0.000 1.016 382 N CA 1.301 54.237 53.050 -0.190 0.000 0.870 382 N CB -0.101 38.300 38.487 -0.145 0.000 0.979 382 N HN 0.442 nan 8.380 nan 0.000 0.431 383 I N -0.032 120.418 120.570 -0.199 0.000 2.277 383 I HA -0.148 4.021 4.170 -0.002 0.000 0.243 383 I C 1.402 177.377 176.117 -0.237 0.000 1.094 383 I CA 0.623 61.813 61.300 -0.182 0.000 1.393 383 I CB 0.062 37.965 38.000 -0.160 0.000 1.078 383 I HN -0.011 nan 8.210 nan 0.000 0.417 384 L N 0.437 121.464 121.223 -0.327 0.000 2.341 384 L HA 0.038 4.377 4.340 -0.002 0.000 0.214 384 L C 0.811 177.503 176.870 -0.297 0.000 1.115 384 L CA 0.833 55.421 54.840 -0.421 0.000 0.820 384 L CB -0.703 40.987 42.059 -0.615 0.000 0.944 384 L HN 0.149 nan 8.230 nan 0.000 0.452 385 K N -0.275 119.976 120.400 -0.248 0.000 3.257 385 K HA -0.153 4.165 4.320 -0.002 0.000 0.270 385 K C -2.171 174.329 176.600 -0.166 0.000 0.984 385 K CA 0.116 56.292 56.287 -0.185 0.000 0.739 385 K CB -1.598 30.820 32.500 -0.136 0.000 1.351 385 K HN 0.301 nan 8.250 nan 0.000 0.463 386 P HA -0.044 nan 4.420 nan 0.000 0.269 386 P C 0.599 177.832 177.300 -0.112 0.000 1.215 386 P CA 0.166 63.180 63.100 -0.143 0.000 0.780 386 P CB 1.319 32.916 31.700 -0.172 0.000 0.898 387 S N 0.072 115.732 115.700 -0.067 0.000 2.486 387 S HA 0.097 4.566 4.470 -0.002 0.000 0.220 387 S C 0.653 175.200 174.600 -0.089 0.000 1.011 387 S CA 0.328 58.499 58.200 -0.049 0.000 0.921 387 S CB -0.319 62.895 63.200 0.024 0.000 0.785 387 S HN 0.517 nan 8.310 nan 0.000 0.517 388 T N 1.839 116.315 114.554 -0.129 0.000 2.893 388 T HA 0.688 5.037 4.350 -0.002 0.000 0.293 388 T C -1.642 172.930 174.700 -0.213 0.000 1.027 388 T CA -0.372 61.602 62.100 -0.209 0.000 0.988 388 T CB 1.853 70.541 68.868 -0.299 0.000 1.043 388 T HN 0.163 nan 8.240 nan 0.000 0.461 389 I N 2.971 123.414 120.570 -0.212 0.000 2.466 389 I HA 0.540 4.709 4.170 -0.002 0.000 0.289 389 I C -1.248 174.864 176.117 -0.009 0.000 1.026 389 I CA -0.735 60.492 61.300 -0.121 0.000 1.078 389 I CB 1.241 39.094 38.000 -0.246 0.000 1.249 389 I HN 0.588 nan 8.210 nan 0.000 0.429 390 I N 6.836 127.426 120.570 0.034 0.000 2.382 390 I HA 0.441 4.610 4.170 -0.002 0.000 0.285 390 I C 0.487 176.795 176.117 0.319 0.000 1.007 390 I CA -0.607 60.762 61.300 0.116 0.000 1.142 390 I CB 1.678 39.511 38.000 -0.278 0.000 1.289 390 I HN 0.671 nan 8.210 nan 0.000 0.453 391 G N 5.652 114.612 108.800 0.267 0.000 2.350 391 G HA2 0.472 4.431 3.960 -0.002 0.000 0.306 391 G HA3 0.472 4.431 3.960 -0.002 0.000 0.306 391 G C 0.096 174.961 174.900 -0.059 0.000 1.094 391 G CA -0.226 44.769 45.100 -0.176 0.000 0.953 391 G HN 0.564 nan 8.290 nan 0.000 0.420 392 V N 0.190 120.113 119.914 0.014 0.000 2.719 392 V HA 0.633 4.752 4.120 -0.002 0.000 0.330 392 V C 0.684 176.784 176.094 0.012 0.000 1.224 392 V CA -0.025 62.301 62.300 0.043 0.000 1.314 392 V CB 0.292 32.200 31.823 0.142 0.000 1.416 392 V HN 0.745 nan 8.190 nan 0.000 0.651 393 A N 0.364 123.153 122.820 -0.052 0.000 2.343 393 A HA 0.635 4.953 4.320 -0.002 0.000 0.223 393 A C 1.964 179.517 177.584 -0.051 0.000 1.214 393 A CA 0.505 52.515 52.037 -0.044 0.000 0.900 393 A CB -0.149 18.812 19.000 -0.064 0.000 0.942 393 A HN 1.991 nan 8.150 nan 0.000 0.507 394 G N -0.783 107.980 108.800 -0.060 0.000 2.361 394 G HA2 -0.045 3.913 3.960 -0.002 0.000 0.294 394 G HA3 -0.045 3.913 3.960 -0.002 0.000 0.294 394 G C 0.679 175.546 174.900 -0.054 0.000 1.004 394 G CA 0.574 45.642 45.100 -0.053 0.000 0.870 394 G HN 1.594 nan 8.290 nan 0.000 0.510 395 A N -0.869 121.910 122.820 -0.068 0.000 2.606 395 A HA 0.761 5.079 4.320 -0.002 0.000 0.290 395 A C 1.576 179.127 177.584 -0.055 0.000 1.174 395 A CA 1.200 53.203 52.037 -0.057 0.000 0.958 395 A CB 0.097 19.064 19.000 -0.054 0.000 1.194 395 A HN 2.525 nan 8.150 nan 0.000 0.526 396 G N -0.118 108.645 108.800 -0.062 0.000 2.549 396 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.404 396 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.404 396 G C -0.371 174.489 174.900 -0.067 0.000 1.292 396 G CA -0.896 44.176 45.100 -0.047 0.000 0.935 396 G HN 0.275 nan 8.290 nan 0.000 0.512 397 R N 0.513 120.994 120.500 -0.032 0.000 4.874 397 R HA 0.108 4.447 4.340 -0.002 0.000 0.173 397 R C 1.450 177.742 176.300 -0.014 0.000 2.034 397 R CA -0.056 56.032 56.100 -0.021 0.000 1.630 397 R CB -0.798 29.509 30.300 0.013 0.000 1.372 397 R HN 0.351 nan 8.270 nan 0.000 0.843 398 L N -0.203 120.973 121.223 -0.077 0.000 2.376 398 L HA 0.022 4.360 4.340 -0.002 0.000 0.219 398 L C 0.998 177.960 176.870 0.154 0.000 1.133 398 L CA 1.104 55.927 54.840 -0.028 0.000 0.816 398 L CB -0.251 41.728 42.059 -0.132 0.000 0.933 398 L HN 0.274 nan 8.230 nan 0.000 0.449 399 F N 1.020 120.942 119.950 -0.047 0.000 2.499 399 F HA 0.135 4.661 4.527 -0.002 0.000 0.353 399 F C 1.173 176.978 175.800 0.009 0.000 1.196 399 F CA -1.044 56.957 58.000 0.001 0.000 1.244 399 F CB -0.112 38.899 39.000 0.018 0.000 1.577 399 F HN 0.030 nan 8.300 nan 0.000 0.614 400 T N -0.458 114.213 114.554 0.196 0.000 2.802 400 T HA 0.056 4.404 4.350 -0.002 0.000 0.305 400 T C -1.749 172.987 174.700 0.059 0.000 1.053 400 T CA -1.444 60.715 62.100 0.099 0.000 1.058 400 T CB 1.097 70.010 68.868 0.074 0.000 0.988 400 T HN 0.142 nan 8.240 nan 0.000 0.539 401 P HA -0.080 nan 4.420 nan 0.000 0.217 401 P C 1.101 178.393 177.300 -0.013 0.000 1.148 401 P CA 1.000 64.097 63.100 -0.005 0.000 0.828 401 P CB 0.014 31.709 31.700 -0.009 0.000 0.783 402 D N -1.324 119.074 120.400 -0.004 0.000 2.183 402 D HA -0.068 4.570 4.640 -0.002 0.000 0.203 402 D C 1.980 178.260 176.300 -0.033 0.000 0.969 402 D CA 0.822 54.810 54.000 -0.019 0.000 0.842 402 D CB -0.455 40.338 40.800 -0.012 0.000 0.957 402 D HN -0.002 nan 8.370 nan 0.000 0.484 403 V N 1.264 121.172 119.914 -0.010 0.000 2.358 403 V HA -0.187 3.932 4.120 -0.002 0.000 0.246 403 V C 2.490 178.528 176.094 -0.093 0.000 1.047 403 V CA 0.993 63.272 62.300 -0.036 0.000 1.035 403 V CB -0.231 31.635 31.823 0.072 0.000 0.658 403 V HN 0.168 nan 8.190 nan 0.000 0.452 404 I N -0.449 120.081 120.570 -0.067 0.000 2.179 404 I HA -0.242 3.926 4.170 -0.002 0.000 0.242 404 I C 2.735 178.796 176.117 -0.093 0.000 1.088 404 I CA 1.589 62.834 61.300 -0.093 0.000 1.357 404 I CB -0.494 37.463 38.000 -0.071 0.000 1.051 404 I HN 0.202 nan 8.210 nan 0.000 0.409 405 R N 0.870 121.326 120.500 -0.074 0.000 2.091 405 R HA -0.149 4.190 4.340 -0.002 0.000 0.238 405 R C 2.494 178.747 176.300 -0.079 0.000 1.136 405 R CA 1.486 57.545 56.100 -0.068 0.000 0.959 405 R CB -0.526 29.742 30.300 -0.053 0.000 0.856 405 R HN 0.388 nan 8.270 nan 0.000 0.437 406 A N 1.152 123.918 122.820 -0.091 0.000 1.883 406 A HA -0.190 4.129 4.320 -0.002 0.000 0.217 406 A C 2.143 179.655 177.584 -0.120 0.000 1.186 406 A CA 1.408 53.380 52.037 -0.108 0.000 0.624 406 A CB -0.355 18.566 19.000 -0.133 0.000 0.822 406 A HN 0.118 nan 8.150 nan 0.000 0.444 407 M N -0.469 119.049 119.600 -0.137 0.000 2.149 407 M HA -0.126 4.352 4.480 -0.002 0.000 0.261 407 M C 2.395 178.634 176.300 -0.102 0.000 1.064 407 M CA 1.597 56.814 55.300 -0.138 0.000 1.102 407 M CB -1.440 31.063 32.600 -0.162 0.000 1.369 407 M HN 0.509 nan 8.290 nan 0.000 0.408 408 A N -0.275 122.491 122.820 -0.089 0.000 2.067 408 A HA -0.055 4.263 4.320 -0.002 0.000 0.217 408 A C 2.312 179.861 177.584 -0.058 0.000 1.156 408 A CA 1.720 53.716 52.037 -0.069 0.000 0.683 408 A CB -0.574 18.386 19.000 -0.067 0.000 0.808 408 A HN 0.596 nan 8.150 nan 0.000 0.455 409 S N -0.517 115.145 115.700 -0.063 0.000 2.458 409 S HA 0.091 4.560 4.470 -0.002 0.000 0.223 409 S C 1.732 176.298 174.600 -0.057 0.000 1.019 409 S CA 0.887 59.054 58.200 -0.055 0.000 0.937 409 S CB -0.476 62.691 63.200 -0.055 0.000 0.788 409 S HN 0.438 nan 8.310 nan 0.000 0.511 410 I N 1.692 122.220 120.570 -0.071 0.000 2.480 410 I HA 0.085 4.254 4.170 -0.002 0.000 0.251 410 I C 0.308 176.388 176.117 -0.061 0.000 1.124 410 I CA 0.451 61.707 61.300 -0.073 0.000 1.444 410 I CB -0.095 37.846 38.000 -0.097 0.000 1.098 410 I HN 0.279 nan 8.210 nan 0.000 0.428 411 N N 0.454 119.118 118.700 -0.059 0.000 2.272 411 N HA 0.101 4.839 4.740 -0.002 0.000 0.305 411 N C 0.451 175.942 175.510 -0.032 0.000 1.103 411 N CA -0.261 52.762 53.050 -0.045 0.000 0.791 411 N CB 2.305 40.763 38.487 -0.049 0.000 1.356 411 N HN -0.079 nan 8.380 nan 0.000 0.486 412 E N 1.008 121.196 120.200 -0.019 0.000 2.072 412 E HA -0.012 4.337 4.350 -0.002 0.000 0.190 412 E C -0.261 176.339 176.600 -0.000 0.000 0.982 412 E CA 1.452 57.847 56.400 -0.008 0.000 0.803 412 E CB 0.383 30.082 29.700 -0.001 0.000 0.755 412 E HN 0.293 nan 8.360 nan 0.000 0.453 413 R N 1.271 121.773 120.500 0.003 0.000 2.564 413 R HA 0.313 4.652 4.340 -0.002 0.000 0.282 413 R C -2.508 173.793 176.300 0.001 0.000 1.573 413 R CA -2.173 53.936 56.100 0.016 0.000 1.588 413 R CB 0.737 31.058 30.300 0.035 0.000 1.154 413 R HN 0.225 nan 8.270 nan 0.000 0.606 414 P HA 0.091 nan 4.420 nan 0.000 0.271 414 P C -0.102 177.180 177.300 -0.030 0.000 1.216 414 P CA -0.177 62.897 63.100 -0.043 0.000 0.776 414 P CB 1.384 33.043 31.700 -0.068 0.000 0.881 415 V N 5.469 125.343 119.914 -0.067 0.000 2.370 415 V HA 0.329 4.448 4.120 -0.002 0.000 0.279 415 V C 0.580 176.623 176.094 -0.085 0.000 1.029 415 V CA -0.335 61.916 62.300 -0.081 0.000 0.870 415 V CB 0.682 32.373 31.823 -0.220 0.000 0.984 415 V HN 0.400 nan 8.190 nan 0.000 0.451 416 I N 5.660 126.288 120.570 0.097 0.000 2.439 416 I HA 0.457 4.626 4.170 -0.002 0.000 0.285 416 I C -1.203 175.207 176.117 0.487 0.000 1.021 416 I CA -0.274 61.153 61.300 0.212 0.000 1.091 416 I CB 1.698 39.829 38.000 0.219 0.000 1.242 416 I HN 0.348 nan 8.210 nan 0.000 0.439 417 F N 4.705 124.718 119.950 0.105 0.000 2.427 417 F HA 0.580 5.105 4.527 -0.002 0.000 0.348 417 F C 0.422 176.267 175.800 0.075 0.000 1.125 417 F CA -1.539 56.442 58.000 -0.032 0.000 0.989 417 F CB 1.961 40.954 39.000 -0.011 0.000 1.165 417 F HN 0.414 nan 8.300 nan 0.000 0.442 418 A N 5.775 128.616 122.820 0.035 0.000 2.654 418 A HA 0.554 4.873 4.320 -0.002 0.000 0.345 418 A C 0.366 177.922 177.584 -0.045 0.000 1.368 418 A CA -0.303 51.725 52.037 -0.015 0.000 0.895 418 A CB -0.227 18.852 19.000 0.132 0.000 1.143 418 A HN 0.830 nan 8.150 nan 0.000 0.490 419 L N 0.837 122.043 121.223 -0.030 0.000 2.529 419 L HA 0.078 4.416 4.340 -0.002 0.000 0.223 419 L C 0.832 177.690 176.870 -0.021 0.000 1.113 419 L CA 0.116 54.944 54.840 -0.021 0.000 0.861 419 L CB -0.091 41.991 42.059 0.039 0.000 1.012 419 L HN 0.499 nan 8.230 nan 0.000 0.461 420 S N 1.207 116.882 115.700 -0.041 0.000 2.549 420 S HA 0.162 4.630 4.470 -0.002 0.000 0.283 420 S C 0.123 174.699 174.600 -0.042 0.000 1.320 420 S CA -0.258 57.916 58.200 -0.044 0.000 1.058 420 S CB 0.324 63.483 63.200 -0.069 0.000 0.882 420 S HN 0.255 nan 8.310 nan 0.000 0.498 421 N N 3.243 121.910 118.700 -0.055 0.000 2.335 421 N HA 0.521 5.260 4.740 -0.002 0.000 0.304 421 N C -2.568 172.894 175.510 -0.079 0.000 1.135 421 N CA -1.554 51.447 53.050 -0.082 0.000 0.817 421 N CB 1.544 39.960 38.487 -0.119 0.000 1.294 421 N HN 0.292 nan 8.380 nan 0.000 0.497 422 P HA 0.164 nan 4.420 nan 0.000 0.312 422 P C 0.504 177.755 177.300 -0.082 0.000 1.308 422 P CA -0.025 63.010 63.100 -0.108 0.000 0.743 422 P CB 0.392 32.027 31.700 -0.109 0.000 1.364 423 T N -0.099 114.392 114.554 -0.106 0.000 2.685 423 T HA -0.226 4.123 4.350 -0.002 0.000 0.268 423 T C 1.919 176.625 174.700 0.009 0.000 1.034 423 T CA 2.458 64.505 62.100 -0.088 0.000 1.149 423 T CB -1.229 67.542 68.868 -0.162 0.000 0.860 423 T HN 0.522 nan 8.240 nan 0.000 0.449 424 A N 0.700 123.515 122.820 -0.007 0.000 2.067 424 A HA -0.067 4.251 4.320 -0.002 0.000 0.219 424 A C 2.198 179.787 177.584 0.008 0.000 1.158 424 A CA 1.181 53.226 52.037 0.012 0.000 0.661 424 A CB -0.431 18.567 19.000 -0.003 0.000 0.801 424 A HN 0.363 nan 8.150 nan 0.000 0.452 425 Q N -0.547 119.247 119.800 -0.010 0.000 2.360 425 Q HA 0.428 4.767 4.340 -0.002 0.000 0.202 425 Q C 0.761 176.744 176.000 -0.027 0.000 0.915 425 Q CA 0.529 56.318 55.803 -0.025 0.000 0.943 425 Q CB -0.185 28.530 28.738 -0.040 0.000 1.064 425 Q HN 0.600 nan 8.270 nan 0.000 0.511 426 A N 0.511 123.342 122.820 0.017 0.000 2.520 426 A HA 0.016 4.335 4.320 -0.002 0.000 0.235 426 A C 0.765 178.330 177.584 -0.031 0.000 1.065 426 A CA -0.122 51.939 52.037 0.039 0.000 0.764 426 A CB 0.372 19.502 19.000 0.218 0.000 1.002 426 A HN 0.174 nan 8.150 nan 0.000 0.502 427 E N -0.156 119.946 120.200 -0.162 0.000 2.153 427 E HA -0.023 4.326 4.350 -0.002 0.000 0.194 427 E C 0.687 177.226 176.600 -0.102 0.000 0.988 427 E CA 1.638 57.826 56.400 -0.352 0.000 0.811 427 E CB -0.405 28.635 29.700 -1.100 0.000 0.746 427 E HN 0.940 nan 8.360 nan 0.000 0.466 428 C N -3.032 116.291 119.300 0.039 0.000 3.275 428 C HA 0.653 5.111 4.460 -0.002 0.000 0.340 428 C C 0.031 175.001 174.990 -0.034 0.000 1.366 428 C CA -0.684 58.368 59.018 0.056 0.000 1.227 428 C CB 0.992 28.808 27.740 0.127 0.000 1.512 428 C HN 0.265 nan 8.230 nan 0.000 0.461 429 T N -0.555 113.831 114.554 -0.280 0.000 2.881 429 T HA 0.643 4.991 4.350 -0.002 0.000 0.278 429 T C 1.192 175.247 174.700 -1.076 0.000 0.982 429 T CA 0.229 61.828 62.100 -0.834 0.000 0.989 429 T CB 1.387 69.935 68.868 -0.533 0.000 1.058 429 T HN 2.102 nan 8.240 nan 0.000 0.529 430 A N 0.106 122.083 122.820 -1.406 0.000 1.930 430 A HA -0.032 4.286 4.320 -0.002 0.000 0.217 430 A C 2.267 179.482 177.584 -0.614 0.000 1.175 430 A CA 1.783 53.146 52.037 -1.123 0.000 0.627 430 A CB -1.139 17.682 19.000 -0.298 0.000 0.815 430 A HN 1.047 nan 8.150 nan 0.000 0.443 431 E N -0.017 119.962 120.200 -0.368 0.000 2.077 431 E HA -0.245 4.103 4.350 -0.002 0.000 0.193 431 E C 1.869 178.343 176.600 -0.210 0.000 0.989 431 E CA 1.499 57.803 56.400 -0.160 0.000 0.800 431 E CB -0.159 29.489 29.700 -0.087 0.000 0.746 431 E HN 0.744 nan 8.360 nan 0.000 0.452 432 E N 0.177 120.204 120.200 -0.288 0.000 2.051 432 E HA -0.208 4.141 4.350 -0.002 0.000 0.192 432 E C 2.045 178.474 176.600 -0.285 0.000 0.991 432 E CA 1.057 57.320 56.400 -0.229 0.000 0.799 432 E CB -0.172 29.413 29.700 -0.191 0.000 0.748 432 E HN 0.380 nan 8.360 nan 0.000 0.449 433 A N 0.628 123.148 122.820 -0.500 0.000 1.845 433 A HA -0.204 4.115 4.320 -0.002 0.000 0.215 433 A C 1.970 179.261 177.584 -0.489 0.000 1.195 433 A CA 1.441 53.144 52.037 -0.558 0.000 0.616 433 A CB -1.052 17.348 19.000 -1.000 0.000 0.832 433 A HN 0.308 nan 8.150 nan 0.000 0.443 434 Y N 0.826 120.889 120.300 -0.394 0.000 2.181 434 Y HA -0.227 4.322 4.550 -0.002 0.000 0.288 434 Y C 3.243 178.965 175.900 -0.298 0.000 1.146 434 Y CA 1.844 59.700 58.100 -0.406 0.000 1.164 434 Y CB -0.600 37.593 38.460 -0.445 0.000 0.982 434 Y HN 0.544 nan 8.280 nan 0.000 0.515 435 T N -1.824 112.691 114.554 -0.065 0.000 2.737 435 T HA -0.148 4.200 4.350 -0.002 0.000 0.265 435 T C 1.697 176.356 174.700 -0.067 0.000 1.038 435 T CA 1.060 63.129 62.100 -0.050 0.000 1.144 435 T CB -0.637 68.210 68.868 -0.036 0.000 0.866 435 T HN 0.065 nan 8.240 nan 0.000 0.434 436 L N 2.613 123.780 121.223 -0.093 0.000 2.362 436 L HA 0.132 4.471 4.340 -0.002 0.000 0.219 436 L C 2.595 179.416 176.870 -0.082 0.000 1.134 436 L CA 1.758 56.549 54.840 -0.081 0.000 0.807 436 L CB -1.200 40.806 42.059 -0.087 0.000 0.927 436 L HN 0.711 nan 8.230 nan 0.000 0.447 437 T N -5.202 109.290 114.554 -0.104 0.000 3.105 437 T HA 0.153 4.502 4.350 -0.002 0.000 0.253 437 T C 0.629 175.285 174.700 -0.073 0.000 1.047 437 T CA -0.191 61.854 62.100 -0.091 0.000 0.944 437 T CB -0.199 68.602 68.868 -0.113 0.000 1.016 437 T HN 0.338 nan 8.240 nan 0.000 0.544 438 E N 0.573 120.734 120.200 -0.064 0.000 2.476 438 E HA -0.213 4.135 4.350 -0.002 0.000 0.251 438 E C 0.973 177.544 176.600 -0.048 0.000 1.130 438 E CA 0.388 56.767 56.400 -0.036 0.000 0.736 438 E CB -1.861 27.831 29.700 -0.013 0.000 1.298 438 E HN 0.954 nan 8.360 nan 0.000 0.400 439 G N -0.262 108.439 108.800 -0.164 0.000 2.153 439 G HA2 -0.398 3.560 3.960 -0.002 0.000 0.252 439 G HA3 -0.398 3.560 3.960 -0.002 0.000 0.252 439 G C 0.668 175.470 174.900 -0.164 0.000 0.994 439 G CA 0.659 45.514 45.100 -0.408 0.000 0.698 439 G HN 0.401 nan 8.290 nan 0.000 0.521 440 R N -0.615 119.845 120.500 -0.066 0.000 2.265 440 R HA 0.209 4.548 4.340 -0.002 0.000 0.194 440 R C 2.075 178.387 176.300 0.019 0.000 0.931 440 R CA 0.682 56.787 56.100 0.009 0.000 1.032 440 R CB -0.058 30.244 30.300 0.004 0.000 0.980 440 R HN 0.782 nan 8.270 nan 0.000 0.497 441 C N -0.079 119.208 119.300 -0.021 0.000 2.595 441 C HA 0.464 4.923 4.460 -0.002 0.000 0.384 441 C C 0.454 175.510 174.990 0.110 0.000 1.289 441 C CA -1.141 57.879 59.018 0.003 0.000 2.372 441 C CB -0.027 27.663 27.740 -0.083 0.000 2.593 441 C HN 0.211 nan 8.230 nan 0.000 0.639 442 L N 2.636 123.945 121.223 0.144 0.000 2.295 442 L HA 0.484 4.823 4.340 -0.002 0.000 0.281 442 L C -0.415 176.642 176.870 0.312 0.000 1.018 442 L CA -0.078 54.906 54.840 0.240 0.000 0.841 442 L CB 0.683 42.852 42.059 0.183 0.000 1.218 442 L HN 0.797 nan 8.230 nan 0.000 0.424 443 F N 3.496 123.521 119.950 0.125 0.000 2.507 443 F HA 0.834 5.360 4.527 -0.002 0.000 0.327 443 F C -0.252 175.617 175.800 0.115 0.000 1.068 443 F CA -0.459 57.579 58.000 0.063 0.000 0.965 443 F CB 1.756 40.544 39.000 -0.353 0.000 1.192 443 F HN 0.416 nan 8.300 nan 0.000 0.476 444 A N 2.649 124.864 122.820 -1.008 0.000 2.604 444 A HA 0.725 5.044 4.320 -0.002 0.000 0.295 444 A C -1.416 175.482 177.584 -1.143 0.000 1.067 444 A CA -0.137 51.371 52.037 -0.882 0.000 0.683 444 A CB 1.268 19.663 19.000 -1.009 0.000 1.281 444 A HN 1.154 nan 8.150 nan 0.000 0.407 445 S N -0.287 115.090 115.700 -0.539 0.000 2.651 445 S HA 0.732 5.200 4.470 -0.002 0.000 0.279 445 S C 0.777 175.308 174.600 -0.115 0.000 1.148 445 S CA -0.032 58.023 58.200 -0.240 0.000 0.837 445 S CB 1.292 64.620 63.200 0.213 0.000 1.138 445 S HN 1.835 nan 8.310 nan 0.000 0.478 446 G N 0.534 109.302 108.800 -0.053 0.000 2.411 446 G HA2 0.224 4.183 3.960 -0.002 0.000 0.213 446 G HA3 0.224 4.183 3.960 -0.002 0.000 0.213 446 G C 0.302 175.169 174.900 -0.054 0.000 1.166 446 G CA 0.170 45.239 45.100 -0.052 0.000 0.802 446 G HN 0.701 nan 8.290 nan 0.000 0.533 447 S N 1.703 117.363 115.700 -0.066 0.000 2.578 447 S HA 0.501 4.970 4.470 -0.002 0.000 0.283 447 S C -2.476 171.985 174.600 -0.232 0.000 1.195 447 S CA -0.987 57.112 58.200 -0.168 0.000 1.050 447 S CB 2.244 65.303 63.200 -0.236 0.000 1.012 447 S HN 0.116 nan 8.310 nan 0.000 0.511 448 P HA 0.254 nan 4.420 nan 0.000 0.271 448 P C -1.241 175.837 177.300 -0.370 0.000 1.216 448 P CA 0.025 63.034 63.100 -0.152 0.000 0.776 448 P CB 0.190 31.855 31.700 -0.059 0.000 0.881 449 F N 0.672 120.705 119.950 0.138 0.000 2.565 449 F HA 0.495 5.021 4.527 -0.002 0.000 0.313 449 F C 1.186 177.072 175.800 0.143 0.000 1.091 449 F CA -0.534 57.553 58.000 0.144 0.000 0.915 449 F CB 2.066 41.181 39.000 0.193 0.000 1.208 449 F HN 0.318 nan 8.300 nan 0.000 0.453 450 G N 1.605 110.588 108.800 0.304 0.000 2.621 450 G HA2 0.500 4.458 3.960 -0.002 0.000 0.271 450 G HA3 0.500 4.458 3.960 -0.002 0.000 0.271 450 G C -2.755 172.274 174.900 0.216 0.000 1.236 450 G CA -1.355 43.870 45.100 0.208 0.000 0.958 450 G HN 0.307 nan 8.290 nan 0.000 0.512 451 P HA 0.265 nan 4.420 nan 0.000 0.269 451 P C -0.589 176.777 177.300 0.111 0.000 1.215 451 P CA -0.280 62.893 63.100 0.122 0.000 0.780 451 P CB 1.018 32.760 31.700 0.070 0.000 0.898 452 V N 2.578 122.544 119.914 0.087 0.000 2.540 452 V HA 0.372 4.491 4.120 -0.002 0.000 0.302 452 V C 0.051 176.194 176.094 0.082 0.000 1.035 452 V CA -0.502 61.852 62.300 0.090 0.000 0.873 452 V CB 1.651 33.555 31.823 0.135 0.000 0.992 452 V HN 0.413 nan 8.190 nan 0.000 0.428 453 K N 4.908 125.352 120.400 0.074 0.000 2.307 453 K HA 0.647 4.966 4.320 -0.002 0.000 0.263 453 K C -0.932 175.718 176.600 0.082 0.000 0.973 453 K CA -0.577 55.750 56.287 0.066 0.000 0.846 453 K CB 1.191 33.710 32.500 0.033 0.000 1.100 453 K HN 0.590 nan 8.250 nan 0.000 0.438 454 L N 2.221 123.515 121.223 0.117 0.000 2.454 454 L HA 0.202 4.541 4.340 -0.002 0.000 0.256 454 L C 2.011 178.919 176.870 0.063 0.000 1.136 454 L CA -0.446 54.454 54.840 0.099 0.000 0.804 454 L CB 1.011 43.158 42.059 0.147 0.000 1.181 454 L HN 0.839 nan 8.230 nan 0.000 0.469 455 T N -3.100 111.482 114.554 0.048 0.000 2.849 455 T HA -0.173 4.176 4.350 -0.002 0.000 0.270 455 T C 0.927 175.645 174.700 0.031 0.000 1.066 455 T CA 1.313 63.432 62.100 0.033 0.000 1.130 455 T CB -0.548 68.335 68.868 0.025 0.000 0.864 455 T HN 0.764 nan 8.240 nan 0.000 0.481 456 D N 0.697 121.122 120.400 0.042 0.000 2.349 456 D HA 0.295 4.934 4.640 -0.002 0.000 0.224 456 D C 1.651 177.965 176.300 0.023 0.000 1.029 456 D CA 0.492 54.512 54.000 0.033 0.000 0.879 456 D CB -0.716 40.110 40.800 0.043 0.000 0.906 456 D HN 0.579 nan 8.370 nan 0.000 0.528 457 G N 0.211 109.025 108.800 0.024 0.000 2.217 457 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.246 457 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.246 457 G C 0.287 175.174 174.900 -0.021 0.000 0.990 457 G CA -0.149 44.953 45.100 0.003 0.000 0.627 457 G HN 0.455 nan 8.290 nan 0.000 0.522 458 R N 0.073 120.565 120.500 -0.013 0.000 2.537 458 R HA 0.466 4.804 4.340 -0.002 0.000 0.280 458 R C -0.025 176.175 176.300 -0.167 0.000 1.058 458 R CA -0.014 56.013 56.100 -0.121 0.000 1.057 458 R CB 1.215 31.466 30.300 -0.081 0.000 0.973 458 R HN 0.111 nan 8.270 nan 0.000 0.438 459 V N 4.608 124.317 119.914 -0.341 0.000 2.459 459 V HA 0.391 4.510 4.120 -0.002 0.000 0.295 459 V C -0.652 175.107 176.094 -0.559 0.000 1.029 459 V CA -0.558 61.578 62.300 -0.274 0.000 0.874 459 V CB 1.069 32.798 31.823 -0.156 0.000 0.985 459 V HN 0.508 nan 8.190 nan 0.000 0.438 460 F N 1.598 121.376 119.950 -0.288 0.000 2.467 460 F HA 0.514 5.039 4.527 -0.002 0.000 0.336 460 F C 0.615 176.237 175.800 -0.298 0.000 1.123 460 F CA -0.499 57.217 58.000 -0.473 0.000 0.964 460 F CB 2.153 40.395 39.000 -1.263 0.000 1.136 460 F HN 0.307 nan 8.300 nan 0.000 0.447 461 T N 5.329 119.899 114.554 0.027 0.000 2.801 461 T HA 0.292 4.641 4.350 -0.002 0.000 0.306 461 T C -2.570 172.300 174.700 0.282 0.000 1.020 461 T CA -1.430 60.752 62.100 0.137 0.000 0.948 461 T CB 0.679 69.606 68.868 0.099 0.000 0.962 461 T HN 0.210 nan 8.240 nan 0.000 0.465 462 P HA 0.268 nan 4.420 nan 0.000 0.271 462 P C 0.258 177.785 177.300 0.379 0.000 1.216 462 P CA -0.190 63.242 63.100 0.552 0.000 0.771 462 P CB 0.865 32.994 31.700 0.715 0.000 0.864 463 G N 2.342 111.341 108.800 0.331 0.000 2.451 463 G HA2 0.261 4.220 3.960 -0.002 0.000 0.303 463 G HA3 0.261 4.220 3.960 -0.002 0.000 0.303 463 G C -0.871 174.133 174.900 0.175 0.000 1.166 463 G CA -0.487 44.793 45.100 0.301 0.000 0.884 463 G HN 0.533 nan 8.290 nan 0.000 0.514 464 Q N 0.106 119.954 119.800 0.080 0.000 2.400 464 Q HA 0.405 4.744 4.340 -0.002 0.000 0.255 464 Q C 0.421 176.177 176.000 -0.407 0.000 1.008 464 Q CA -0.576 55.193 55.803 -0.057 0.000 0.841 464 Q CB 1.086 29.862 28.738 0.063 0.000 1.220 464 Q HN 0.595 nan 8.270 nan 0.000 0.474 465 G N 4.062 112.576 108.800 -0.476 0.000 3.213 465 G HA2 -0.001 3.957 3.960 -0.002 0.000 0.263 465 G HA3 -0.001 3.957 3.960 -0.002 0.000 0.263 465 G C -0.227 174.545 174.900 -0.213 0.000 0.829 465 G CA -0.192 44.561 45.100 -0.578 0.000 1.983 465 G HN 0.465 nan 8.290 nan 0.000 0.616 466 N N 0.970 119.607 118.700 -0.106 0.000 2.361 466 N HA 0.036 4.775 4.740 -0.002 0.000 0.302 466 N C 1.115 176.704 175.510 0.132 0.000 1.074 466 N CA -0.627 52.457 53.050 0.057 0.000 0.850 466 N CB 1.289 39.844 38.487 0.112 0.000 1.228 466 N HN 0.235 nan 8.380 nan 0.000 0.491 467 N N 2.035 120.863 118.700 0.213 0.000 2.588 467 N HA -0.148 4.590 4.740 -0.002 0.000 0.190 467 N C 1.413 177.008 175.510 0.142 0.000 1.094 467 N CA 0.525 53.739 53.050 0.274 0.000 0.921 467 N CB -0.215 38.516 38.487 0.407 0.000 0.959 467 N HN 0.280 nan 8.380 nan 0.000 0.448 468 V N -0.449 119.473 119.914 0.013 0.000 2.720 468 V HA -0.211 3.908 4.120 -0.002 0.000 0.256 468 V C 1.091 176.823 176.094 -0.603 0.000 1.082 468 V CA 1.412 63.373 62.300 -0.565 0.000 1.101 468 V CB -0.735 30.806 31.823 -0.469 0.000 0.693 468 V HN 0.362 nan 8.190 nan 0.000 0.479 469 Y N -1.061 119.077 120.300 -0.271 0.000 2.561 469 Y HA 0.028 4.577 4.550 -0.002 0.000 0.291 469 Y C 2.010 177.811 175.900 -0.165 0.000 1.141 469 Y CA 0.804 58.786 58.100 -0.197 0.000 1.303 469 Y CB 0.369 38.757 38.460 -0.120 0.000 1.015 469 Y HN 0.255 nan 8.280 nan 0.000 0.547 470 I N -1.884 118.669 120.570 -0.029 0.000 3.366 470 I HA -0.111 4.058 4.170 -0.002 0.000 0.267 470 I C 2.073 178.196 176.117 0.010 0.000 1.149 470 I CA 0.584 61.909 61.300 0.041 0.000 1.436 470 I CB -1.412 36.702 38.000 0.191 0.000 1.379 470 I HN 0.156 nan 8.210 nan 0.000 0.460 471 F N 2.220 122.251 119.950 0.136 0.000 2.202 471 F HA 0.026 4.552 4.527 -0.002 0.000 0.301 471 F C -0.799 174.945 175.800 -0.095 0.000 1.082 471 F CA 0.739 58.820 58.000 0.136 0.000 1.313 471 F CB -2.767 36.454 39.000 0.369 0.000 1.024 471 F HN 0.074 nan 8.300 nan 0.000 0.495 472 P HA -0.019 nan 4.420 nan 0.000 0.214 472 P C 2.130 179.284 177.300 -0.244 0.000 1.162 472 P CA 2.378 65.281 63.100 -0.328 0.000 0.879 472 P CB -0.428 31.047 31.700 -0.376 0.000 0.786 473 G N -0.463 108.231 108.800 -0.177 0.000 2.422 473 G HA2 -0.202 3.756 3.960 -0.002 0.000 0.218 473 G HA3 -0.202 3.756 3.960 -0.002 0.000 0.218 473 G C 1.617 176.446 174.900 -0.117 0.000 1.146 473 G CA 0.617 45.646 45.100 -0.119 0.000 0.769 473 G HN 0.142 nan 8.290 nan 0.000 0.547 474 V N 1.390 121.228 119.914 -0.127 0.000 2.427 474 V HA -0.081 4.037 4.120 -0.002 0.000 0.248 474 V C 3.280 179.276 176.094 -0.163 0.000 1.051 474 V CA 1.865 64.056 62.300 -0.181 0.000 1.048 474 V CB -0.645 31.013 31.823 -0.275 0.000 0.666 474 V HN 0.470 nan 8.190 nan 0.000 0.456 475 A N -0.023 122.706 122.820 -0.152 0.000 1.877 475 A HA -0.198 4.120 4.320 -0.002 0.000 0.216 475 A C 2.163 179.682 177.584 -0.108 0.000 1.186 475 A CA 2.064 54.019 52.037 -0.137 0.000 0.620 475 A CB -0.624 18.089 19.000 -0.478 0.000 0.822 475 A HN 0.439 nan 8.150 nan 0.000 0.443 476 L N -0.140 120.998 121.223 -0.142 0.000 2.012 476 L HA -0.120 4.219 4.340 -0.002 0.000 0.210 476 L C 2.670 179.517 176.870 -0.038 0.000 1.073 476 L CA 2.332 57.123 54.840 -0.081 0.000 0.748 476 L CB -0.857 41.150 42.059 -0.087 0.000 0.891 476 L HN 0.363 nan 8.230 nan 0.000 0.431 477 A N -1.211 121.586 122.820 -0.039 0.000 1.858 477 A HA -0.149 4.169 4.320 -0.002 0.000 0.216 477 A C 2.271 179.861 177.584 0.010 0.000 1.190 477 A CA 2.036 54.073 52.037 0.001 0.000 0.617 477 A CB -1.195 17.798 19.000 -0.011 0.000 0.827 477 A HN 0.292 nan 8.150 nan 0.000 0.443 478 V N 0.324 120.227 119.914 -0.019 0.000 2.332 478 V HA -0.300 3.819 4.120 -0.002 0.000 0.248 478 V C 2.434 178.547 176.094 0.032 0.000 1.055 478 V CA 2.162 64.463 62.300 0.001 0.000 1.038 478 V CB -0.687 31.134 31.823 -0.004 0.000 0.651 478 V HN 0.564 nan 8.190 nan 0.000 0.450 479 I N -0.695 119.894 120.570 0.032 0.000 2.163 479 I HA -0.229 3.939 4.170 -0.002 0.000 0.240 479 I C 2.280 178.432 176.117 0.058 0.000 1.081 479 I CA 1.552 62.876 61.300 0.039 0.000 1.353 479 I CB -0.303 37.717 38.000 0.032 0.000 1.054 479 I HN 0.242 nan 8.210 nan 0.000 0.407 480 L N -0.184 121.079 121.223 0.067 0.000 2.191 480 L HA -0.212 4.127 4.340 -0.002 0.000 0.212 480 L C 2.125 179.130 176.870 0.225 0.000 1.103 480 L CA 0.864 55.785 54.840 0.135 0.000 0.769 480 L CB -0.441 41.670 42.059 0.087 0.000 0.908 480 L HN 0.419 nan 8.230 nan 0.000 0.438 481 C N -0.437 118.945 119.300 0.137 0.000 2.791 481 C HA 0.135 4.594 4.460 -0.002 0.000 0.270 481 C C 1.118 176.152 174.990 0.074 0.000 1.257 481 C CA -0.452 58.601 59.018 0.059 0.000 1.699 481 C CB -1.696 25.998 27.740 -0.078 0.000 1.904 481 C HN 0.611 nan 8.230 nan 0.000 0.603 482 N N 0.824 119.584 118.700 0.100 0.000 2.727 482 N HA -0.148 4.591 4.740 -0.002 0.000 0.249 482 N C -0.382 175.207 175.510 0.132 0.000 1.048 482 N CA 0.215 53.326 53.050 0.102 0.000 0.714 482 N CB -0.840 37.725 38.487 0.130 0.000 0.959 482 N HN 0.486 nan 8.380 nan 0.000 0.544 483 T N -0.073 114.544 114.554 0.104 0.000 2.940 483 T HA 0.048 4.396 4.350 -0.002 0.000 0.309 483 T C 1.563 176.270 174.700 0.011 0.000 1.056 483 T CA 0.132 62.306 62.100 0.122 0.000 1.137 483 T CB 1.087 69.992 68.868 0.063 0.000 0.976 483 T HN 0.232 nan 8.240 nan 0.000 0.547 484 R N 0.878 121.340 120.500 -0.062 0.000 2.156 484 R HA 0.140 4.479 4.340 -0.002 0.000 0.207 484 R C 0.130 176.076 176.300 -0.590 0.000 1.040 484 R CA 0.653 56.519 56.100 -0.390 0.000 1.013 484 R CB 0.234 30.192 30.300 -0.571 0.000 0.931 484 R HN 0.692 nan 8.270 nan 0.000 0.465 485 H N -1.220 117.909 119.070 0.099 0.000 2.961 485 H HA 0.422 4.977 4.556 -0.002 0.000 0.371 485 H C -1.120 174.278 175.328 0.117 0.000 1.190 485 H CA -0.777 55.341 56.048 0.117 0.000 1.138 485 H CB 2.297 32.120 29.762 0.101 0.000 1.816 485 H HN -0.125 nan 8.280 nan 0.000 0.551 486 I N 2.351 123.083 120.570 0.270 0.000 2.382 486 I HA 0.249 4.418 4.170 -0.002 0.000 0.285 486 I C 0.125 176.368 176.117 0.209 0.000 1.007 486 I CA -0.603 60.798 61.300 0.170 0.000 1.142 486 I CB 1.301 39.381 38.000 0.133 0.000 1.289 486 I HN 0.585 nan 8.210 nan 0.000 0.453 487 S N 2.933 118.730 115.700 0.162 0.000 2.669 487 S HA 0.244 4.713 4.470 -0.002 0.000 0.270 487 S C 0.659 175.394 174.600 0.225 0.000 1.225 487 S CA -0.621 57.691 58.200 0.186 0.000 0.991 487 S CB 1.551 64.851 63.200 0.166 0.000 0.987 487 S HN 0.538 nan 8.310 nan 0.000 0.552 488 D N 1.351 121.899 120.400 0.247 0.000 2.144 488 D HA -0.102 4.537 4.640 -0.002 0.000 0.199 488 D C 2.278 178.708 176.300 0.217 0.000 0.984 488 D CA 1.831 56.012 54.000 0.301 0.000 0.834 488 D CB -0.758 40.172 40.800 0.216 0.000 0.955 488 D HN 0.727 nan 8.370 nan 0.000 0.465 489 S N 0.254 116.032 115.700 0.130 0.000 2.419 489 S HA -0.135 4.334 4.470 -0.002 0.000 0.235 489 S C 2.216 176.709 174.600 -0.178 0.000 1.019 489 S CA 0.784 59.002 58.200 0.029 0.000 0.982 489 S CB -0.682 62.592 63.200 0.123 0.000 0.789 489 S HN 0.093 nan 8.310 nan 0.000 0.490 490 V N 0.832 120.656 119.914 -0.151 0.000 2.343 490 V HA -0.109 4.009 4.120 -0.002 0.000 0.247 490 V C 2.150 177.986 176.094 -0.430 0.000 1.051 490 V CA 1.855 63.935 62.300 -0.367 0.000 1.036 490 V CB -0.993 30.593 31.823 -0.396 0.000 0.654 490 V HN 0.521 nan 8.190 nan 0.000 0.451 491 F N -0.996 118.900 119.950 -0.090 0.000 2.325 491 F HA -0.031 4.494 4.527 -0.002 0.000 0.299 491 F C 2.134 177.901 175.800 -0.055 0.000 1.090 491 F CA 1.011 58.974 58.000 -0.062 0.000 1.392 491 F CB -0.217 38.777 39.000 -0.009 0.000 1.053 491 F HN 0.049 nan 8.300 nan 0.000 0.521 492 L N -0.074 121.192 121.223 0.072 0.000 2.056 492 L HA -0.170 4.169 4.340 -0.002 0.000 0.207 492 L C 2.546 179.380 176.870 -0.060 0.000 1.078 492 L CA 1.448 56.303 54.840 0.026 0.000 0.749 492 L CB -0.255 41.809 42.059 0.008 0.000 0.901 492 L HN 0.077 nan 8.230 nan 0.000 0.433 493 E N 0.042 120.117 120.200 -0.207 0.000 2.072 493 E HA -0.188 4.160 4.350 -0.002 0.000 0.191 493 E C 2.111 178.632 176.600 -0.133 0.000 0.985 493 E CA 1.250 57.496 56.400 -0.257 0.000 0.801 493 E CB -0.014 29.339 29.700 -0.578 0.000 0.750 493 E HN 0.575 nan 8.360 nan 0.000 0.452 494 A N 1.279 124.030 122.820 -0.115 0.000 1.933 494 A HA -0.111 4.208 4.320 -0.002 0.000 0.218 494 A C 2.409 180.004 177.584 0.018 0.000 1.175 494 A CA 2.000 54.010 52.037 -0.045 0.000 0.628 494 A CB -0.553 18.428 19.000 -0.032 0.000 0.814 494 A HN 0.282 nan 8.150 nan 0.000 0.444 495 A N -0.019 122.829 122.820 0.048 0.000 1.883 495 A HA -0.200 4.119 4.320 -0.002 0.000 0.217 495 A C 2.119 179.725 177.584 0.036 0.000 1.186 495 A CA 1.931 54.011 52.037 0.071 0.000 0.624 495 A CB -0.476 18.578 19.000 0.090 0.000 0.822 495 A HN 0.551 nan 8.150 nan 0.000 0.444 496 K N -0.394 120.013 120.400 0.012 0.000 2.057 496 K HA -0.036 4.282 4.320 -0.002 0.000 0.207 496 K C 2.272 178.873 176.600 0.003 0.000 1.049 496 K CA 1.087 57.377 56.287 0.004 0.000 0.931 496 K CB -0.319 32.177 32.500 -0.006 0.000 0.714 496 K HN 0.446 nan 8.250 nan 0.000 0.440 497 A N 1.305 124.124 122.820 -0.002 0.000 1.933 497 A HA -0.144 4.175 4.320 -0.002 0.000 0.218 497 A C 2.065 179.656 177.584 0.012 0.000 1.175 497 A CA 1.080 53.119 52.037 0.004 0.000 0.628 497 A CB -0.418 18.580 19.000 -0.003 0.000 0.814 497 A HN 0.222 nan 8.150 nan 0.000 0.444 498 L N -0.658 120.577 121.223 0.020 0.000 2.005 498 L HA -0.076 4.262 4.340 -0.002 0.000 0.207 498 L C 2.553 179.420 176.870 -0.005 0.000 1.072 498 L CA 2.886 57.740 54.840 0.023 0.000 0.744 498 L CB -1.197 40.893 42.059 0.052 0.000 0.895 498 L HN 0.357 nan 8.230 nan 0.000 0.433 499 T N -1.622 112.923 114.554 -0.015 0.000 2.915 499 T HA -0.139 4.210 4.350 -0.002 0.000 0.269 499 T C 2.089 176.773 174.700 -0.027 0.000 1.071 499 T CA 1.501 63.572 62.100 -0.047 0.000 1.132 499 T CB -0.458 68.379 68.868 -0.051 0.000 0.878 499 T HN 0.691 nan 8.240 nan 0.000 0.479 500 S N 0.425 116.120 115.700 -0.009 0.000 2.469 500 S HA -0.067 4.402 4.470 -0.002 0.000 0.238 500 S C 1.835 176.435 174.600 0.000 0.000 0.998 500 S CA 0.728 58.927 58.200 -0.002 0.000 0.957 500 S CB -0.474 62.729 63.200 0.005 0.000 0.764 500 S HN 0.708 nan 8.310 nan 0.000 0.514 501 Q N 0.122 119.922 119.800 -0.000 0.000 2.403 501 Q HA 0.335 4.674 4.340 -0.002 0.000 0.203 501 Q C 0.005 176.008 176.000 0.004 0.000 0.932 501 Q CA -0.067 55.740 55.803 0.007 0.000 0.945 501 Q CB 0.022 28.771 28.738 0.017 0.000 1.045 501 Q HN 0.548 nan 8.270 nan 0.000 0.511 502 L N 2.240 123.457 121.223 -0.009 0.000 2.380 502 L HA 0.102 4.440 4.340 -0.002 0.000 0.273 502 L C 0.580 177.449 176.870 -0.001 0.000 1.138 502 L CA -0.189 54.645 54.840 -0.010 0.000 0.832 502 L CB 0.865 42.905 42.059 -0.033 0.000 1.124 502 L HN 0.117 nan 8.230 nan 0.000 0.454 503 T N -1.960 112.597 114.554 0.005 0.000 2.928 503 T HA 0.177 4.525 4.350 -0.002 0.000 0.284 503 T C 0.759 175.462 174.700 0.006 0.000 1.008 503 T CA -0.978 61.126 62.100 0.007 0.000 1.057 503 T CB 1.412 70.285 68.868 0.010 0.000 1.018 503 T HN 0.525 nan 8.240 nan 0.000 0.493 504 D N 1.605 122.008 120.400 0.006 0.000 2.133 504 D HA -0.154 4.485 4.640 -0.002 0.000 0.195 504 D C 1.670 177.974 176.300 0.007 0.000 0.997 504 D CA 1.450 55.454 54.000 0.006 0.000 0.840 504 D CB -0.087 40.716 40.800 0.006 0.000 0.947 504 D HN 0.700 nan 8.370 nan 0.000 0.452 505 E N 1.086 121.289 120.200 0.005 0.000 2.085 505 E HA -0.169 4.179 4.350 -0.002 0.000 0.194 505 E C 2.034 178.637 176.600 0.006 0.000 0.994 505 E CA 0.919 57.321 56.400 0.003 0.000 0.801 505 E CB -0.242 29.460 29.700 0.002 0.000 0.743 505 E HN 0.422 nan 8.360 nan 0.000 0.453 506 E N -0.052 120.155 120.200 0.011 0.000 2.150 506 E HA -0.112 4.236 4.350 -0.002 0.000 0.193 506 E C 1.992 178.606 176.600 0.023 0.000 0.985 506 E CA 0.450 56.862 56.400 0.019 0.000 0.814 506 E CB -0.045 29.669 29.700 0.024 0.000 0.752 506 E HN 0.206 nan 8.360 nan 0.000 0.466 507 L N 0.157 121.390 121.223 0.017 0.000 2.056 507 L HA -0.152 4.186 4.340 -0.002 0.000 0.207 507 L C 2.413 179.304 176.870 0.035 0.000 1.078 507 L CA 0.966 55.821 54.840 0.024 0.000 0.749 507 L CB -0.315 41.754 42.059 0.016 0.000 0.901 507 L HN 0.176 nan 8.230 nan 0.000 0.433 508 A N -1.099 121.733 122.820 0.021 0.000 2.070 508 A HA -0.242 4.076 4.320 -0.002 0.000 0.220 508 A C 2.075 179.657 177.584 -0.002 0.000 1.159 508 A CA 1.251 53.295 52.037 0.013 0.000 0.656 508 A CB -0.378 18.620 19.000 -0.002 0.000 0.800 508 A HN 0.503 nan 8.150 nan 0.000 0.453 509 Q N -1.873 117.927 119.800 -0.000 0.000 2.436 509 Q HA 0.122 4.461 4.340 -0.002 0.000 0.209 509 Q C 1.193 177.206 176.000 0.020 0.000 0.965 509 Q CA 0.560 56.351 55.803 -0.021 0.000 0.910 509 Q CB -0.051 28.686 28.738 -0.001 0.000 0.980 509 Q HN 0.912 nan 8.270 nan 0.000 0.491 510 G N 1.122 109.977 108.800 0.091 0.000 2.141 510 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.231 510 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.231 510 G C -0.130 174.890 174.900 0.200 0.000 0.984 510 G CA -0.322 44.898 45.100 0.201 0.000 0.660 510 G HN 0.180 nan 8.290 nan 0.000 0.525 511 R N -0.105 120.471 120.500 0.127 0.000 2.298 511 R HA 0.539 4.878 4.340 -0.002 0.000 0.310 511 R C 1.289 177.616 176.300 0.046 0.000 1.068 511 R CA -0.377 55.793 56.100 0.116 0.000 0.957 511 R CB 0.504 30.860 30.300 0.093 0.000 1.003 511 R HN 0.262 nan 8.270 nan 0.000 0.454 512 L N 3.094 124.316 121.223 -0.001 0.000 2.616 512 L HA 0.220 4.559 4.340 -0.002 0.000 0.229 512 L C -0.428 176.068 176.870 -0.624 0.000 1.110 512 L CA 0.221 54.901 54.840 -0.266 0.000 0.884 512 L CB 0.201 42.078 42.059 -0.303 0.000 1.115 512 L HN 0.558 nan 8.230 nan 0.000 0.481 513 Y N -1.438 118.807 120.300 -0.092 0.000 2.562 513 Y HA 0.440 4.989 4.550 -0.002 0.000 0.345 513 Y C -2.404 173.403 175.900 -0.155 0.000 1.045 513 Y CA -2.813 55.141 58.100 -0.242 0.000 1.028 513 Y CB 0.930 39.089 38.460 -0.502 0.000 1.297 513 Y HN -0.240 nan 8.280 nan 0.000 0.463 514 P HA 0.013 nan 4.420 nan 0.000 0.268 514 P C -2.522 174.881 177.300 0.172 0.000 1.208 514 P CA -0.746 62.395 63.100 0.069 0.000 0.777 514 P CB -0.081 31.664 31.700 0.074 0.000 0.875 515 P HA -0.055 nan 4.420 nan 0.000 0.266 515 P C 0.647 178.074 177.300 0.211 0.000 1.195 515 P CA -0.035 63.167 63.100 0.169 0.000 0.768 515 P CB 0.584 32.347 31.700 0.105 0.000 0.838 516 L N 4.123 125.466 121.223 0.200 0.000 2.191 516 L HA -0.148 4.191 4.340 -0.002 0.000 0.212 516 L C 2.440 179.327 176.870 0.028 0.000 1.103 516 L CA 2.046 56.941 54.840 0.090 0.000 0.769 516 L CB -1.532 40.549 42.059 0.036 0.000 0.908 516 L HN 0.487 nan 8.230 nan 0.000 0.438 517 A N -0.848 122.001 122.820 0.049 0.000 2.070 517 A HA -0.148 4.171 4.320 -0.002 0.000 0.220 517 A C 1.591 179.188 177.584 0.021 0.000 1.159 517 A CA 1.603 53.656 52.037 0.026 0.000 0.656 517 A CB -0.545 18.474 19.000 0.032 0.000 0.800 517 A HN 0.615 nan 8.150 nan 0.000 0.453 518 N N -0.694 118.033 118.700 0.045 0.000 2.273 518 N HA 0.150 4.889 4.740 -0.002 0.000 0.231 518 N C 0.944 176.480 175.510 0.043 0.000 1.134 518 N CA -0.055 53.019 53.050 0.041 0.000 0.856 518 N CB 0.302 38.822 38.487 0.055 0.000 1.068 518 N HN 0.579 nan 8.380 nan 0.000 0.510 519 I N 0.765 121.341 120.570 0.010 0.000 2.423 519 I HA -0.322 3.847 4.170 -0.002 0.000 0.254 519 I C 1.755 177.845 176.117 -0.046 0.000 1.151 519 I CA 1.401 62.680 61.300 -0.035 0.000 1.421 519 I CB 0.443 38.322 38.000 -0.202 0.000 1.079 519 I HN 0.037 nan 8.210 nan 0.000 0.431 520 Q N 0.471 120.247 119.800 -0.039 0.000 2.016 520 Q HA -0.272 4.067 4.340 -0.002 0.000 0.200 520 Q C 2.107 178.093 176.000 -0.022 0.000 0.978 520 Q CA 2.143 57.924 55.803 -0.038 0.000 0.833 520 Q CB -0.355 28.364 28.738 -0.031 0.000 0.895 520 Q HN 0.572 nan 8.270 nan 0.000 0.427 521 E N 0.197 120.393 120.200 -0.007 0.000 2.153 521 E HA -0.161 4.188 4.350 -0.002 0.000 0.194 521 E C 1.758 178.364 176.600 0.011 0.000 0.988 521 E CA 1.143 57.543 56.400 0.000 0.000 0.811 521 E CB 0.138 29.841 29.700 0.006 0.000 0.746 521 E HN 0.184 nan 8.360 nan 0.000 0.466 522 V N 0.769 120.700 119.914 0.030 0.000 2.358 522 V HA -0.209 3.909 4.120 -0.002 0.000 0.246 522 V C 2.401 178.514 176.094 0.032 0.000 1.047 522 V CA 1.848 64.181 62.300 0.054 0.000 1.035 522 V CB -0.354 31.546 31.823 0.127 0.000 0.658 522 V HN 0.254 nan 8.190 nan 0.000 0.452 523 S N -0.020 115.681 115.700 0.001 0.000 2.383 523 S HA -0.076 4.392 4.470 -0.002 0.000 0.227 523 S C 1.927 176.505 174.600 -0.036 0.000 1.026 523 S CA 1.147 59.325 58.200 -0.037 0.000 0.981 523 S CB -0.215 62.932 63.200 -0.089 0.000 0.818 523 S HN 0.381 nan 8.310 nan 0.000 0.472 524 I N 2.689 123.243 120.570 -0.028 0.000 2.252 524 I HA -0.105 4.064 4.170 -0.002 0.000 0.245 524 I C 1.900 178.011 176.117 -0.011 0.000 1.102 524 I CA 1.114 62.399 61.300 -0.025 0.000 1.385 524 I CB -1.554 36.433 38.000 -0.022 0.000 1.064 524 I HN 0.249 nan 8.210 nan 0.000 0.414 525 N N 1.115 119.814 118.700 -0.001 0.000 2.166 525 N HA -0.105 4.634 4.740 -0.002 0.000 0.186 525 N C 1.998 177.513 175.510 0.008 0.000 1.019 525 N CA 1.115 54.170 53.050 0.008 0.000 0.856 525 N CB -0.220 38.274 38.487 0.013 0.000 0.993 525 N HN 0.359 nan 8.380 nan 0.000 0.426 526 I N 1.026 121.597 120.570 0.002 0.000 2.226 526 I HA -0.232 3.936 4.170 -0.002 0.000 0.245 526 I C 2.286 178.396 176.117 -0.013 0.000 1.100 526 I CA 0.949 62.246 61.300 -0.005 0.000 1.374 526 I CB -0.284 37.711 38.000 -0.008 0.000 1.057 526 I HN 0.056 nan 8.210 nan 0.000 0.413 527 A N 1.044 123.852 122.820 -0.020 0.000 1.908 527 A HA -0.197 4.122 4.320 -0.002 0.000 0.218 527 A C 2.293 179.888 177.584 0.019 0.000 1.181 527 A CA 1.601 53.627 52.037 -0.018 0.000 0.627 527 A CB -0.837 18.144 19.000 -0.032 0.000 0.818 527 A HN 0.401 nan 8.150 nan 0.000 0.445 528 I N -0.916 119.669 120.570 0.024 0.000 2.202 528 I HA -0.225 3.944 4.170 -0.002 0.000 0.242 528 I C 2.461 178.616 176.117 0.063 0.000 1.091 528 I CA 1.237 62.566 61.300 0.048 0.000 1.368 528 I CB -0.286 37.734 38.000 0.034 0.000 1.058 528 I HN 0.170 nan 8.210 nan 0.000 0.410 529 K N 0.586 121.014 120.400 0.046 0.000 2.097 529 K HA -0.081 4.238 4.320 -0.002 0.000 0.206 529 K C 2.109 178.759 176.600 0.083 0.000 1.049 529 K CA 1.061 57.382 56.287 0.056 0.000 0.933 529 K CB -0.357 32.161 32.500 0.030 0.000 0.717 529 K HN 0.199 nan 8.250 nan 0.000 0.442 530 V N 1.387 121.332 119.914 0.053 0.000 2.453 530 V HA -0.196 3.923 4.120 -0.002 0.000 0.247 530 V C 2.586 178.761 176.094 0.135 0.000 1.048 530 V CA 2.202 64.541 62.300 0.065 0.000 1.049 530 V CB -0.761 31.043 31.823 -0.031 0.000 0.672 530 V HN 0.520 nan 8.190 nan 0.000 0.457 531 T N -1.710 112.920 114.554 0.127 0.000 2.867 531 T HA -0.197 4.152 4.350 -0.002 0.000 0.268 531 T C 1.604 176.467 174.700 0.272 0.000 1.057 531 T CA 1.607 63.821 62.100 0.189 0.000 1.136 531 T CB -0.355 68.660 68.868 0.244 0.000 0.874 531 T HN 0.591 nan 8.240 nan 0.000 0.466 532 E N -0.191 120.134 120.200 0.208 0.000 2.150 532 E HA -0.083 4.266 4.350 -0.002 0.000 0.193 532 E C 1.834 178.532 176.600 0.164 0.000 0.985 532 E CA 1.104 57.610 56.400 0.175 0.000 0.814 532 E CB -0.293 29.473 29.700 0.110 0.000 0.752 532 E HN 0.697 nan 8.360 nan 0.000 0.466 533 Y N 1.378 121.713 120.300 0.059 0.000 2.263 533 Y HA -0.123 4.426 4.550 -0.002 0.000 0.292 533 Y C 1.876 177.784 175.900 0.013 0.000 1.130 533 Y CA 1.117 59.234 58.100 0.027 0.000 1.179 533 Y CB -0.053 38.407 38.460 -0.000 0.000 0.998 533 Y HN -0.077 nan 8.280 nan 0.000 0.532 534 L N -1.310 119.917 121.223 0.007 0.000 2.017 534 L HA -0.256 4.083 4.340 -0.002 0.000 0.208 534 L C 2.140 178.866 176.870 -0.240 0.000 1.073 534 L CA 1.610 56.368 54.840 -0.137 0.000 0.745 534 L CB -0.882 41.118 42.059 -0.097 0.000 0.894 534 L HN 0.222 nan 8.230 nan 0.000 0.432 535 Y N -0.102 120.117 120.300 -0.135 0.000 2.181 535 Y HA -0.237 4.312 4.550 -0.002 0.000 0.288 535 Y C 2.639 178.432 175.900 -0.177 0.000 1.146 535 Y CA 1.262 59.272 58.100 -0.150 0.000 1.164 535 Y CB -0.379 38.022 38.460 -0.097 0.000 0.982 535 Y HN 0.138 nan 8.280 nan 0.000 0.515 536 A N -0.323 122.479 122.820 -0.031 0.000 2.067 536 A HA -0.134 4.185 4.320 -0.002 0.000 0.219 536 A C 1.459 178.926 177.584 -0.195 0.000 1.158 536 A CA 1.477 53.453 52.037 -0.102 0.000 0.661 536 A CB -0.365 18.574 19.000 -0.103 0.000 0.801 536 A HN 0.459 nan 8.150 nan 0.000 0.452 537 N N -0.031 118.484 118.700 -0.308 0.000 2.275 537 N HA 0.057 4.796 4.740 -0.002 0.000 0.236 537 N C -0.690 174.691 175.510 -0.215 0.000 1.154 537 N CA -0.133 52.737 53.050 -0.300 0.000 0.866 537 N CB 0.552 38.737 38.487 -0.504 0.000 1.093 537 N HN 0.106 nan 8.380 nan 0.000 0.515 538 K N 0.397 120.668 120.400 -0.215 0.000 3.077 538 K HA -0.182 4.137 4.320 -0.002 0.000 0.264 538 K C 0.478 176.878 176.600 -0.334 0.000 1.008 538 K CA 0.653 56.783 56.287 -0.262 0.000 0.740 538 K CB -1.780 30.623 32.500 -0.162 0.000 1.273 538 K HN 0.459 nan 8.250 nan 0.000 0.477 539 M N -1.191 118.200 119.600 -0.348 0.000 2.313 539 M HA 0.145 4.623 4.480 -0.002 0.000 0.273 539 M C 0.516 176.615 176.300 -0.335 0.000 1.049 539 M CA 0.033 55.205 55.300 -0.212 0.000 1.004 539 M CB 0.994 33.553 32.600 -0.068 0.000 1.461 539 M HN 0.228 nan 8.290 nan 0.000 0.514 540 A N 0.259 122.654 122.820 -0.708 0.000 2.317 540 A HA 0.764 5.082 4.320 -0.002 0.000 0.327 540 A C -0.930 176.141 177.584 -0.855 0.000 1.178 540 A CA -0.327 51.267 52.037 -0.737 0.000 0.817 540 A CB 0.286 18.432 19.000 -1.424 0.000 1.189 540 A HN 0.356 nan 8.150 nan 0.000 0.489 541 F N 2.284 122.128 119.950 -0.176 0.000 2.577 541 F HA 0.365 4.891 4.527 -0.002 0.000 0.342 541 F C -0.246 175.577 175.800 0.038 0.000 1.479 541 F CA -0.394 57.577 58.000 -0.047 0.000 1.110 541 F CB 1.060 40.045 39.000 -0.026 0.000 1.306 541 F HN 0.249 nan 8.300 nan 0.000 0.554 542 V N 1.238 121.251 119.914 0.165 0.000 2.628 542 V HA 0.554 4.673 4.120 -0.002 0.000 0.306 542 V C -0.930 175.307 176.094 0.238 0.000 1.045 542 V CA -1.102 61.315 62.300 0.195 0.000 0.905 542 V CB 2.204 34.122 31.823 0.159 0.000 0.997 542 V HN 0.361 nan 8.190 nan 0.000 0.436 543 Y N 3.720 124.056 120.300 0.061 0.000 2.504 543 Y HA 0.880 5.429 4.550 -0.002 0.000 0.344 543 Y C -2.894 173.014 175.900 0.013 0.000 1.023 543 Y CA -2.348 55.771 58.100 0.031 0.000 1.020 543 Y CB 0.917 39.402 38.460 0.043 0.000 1.282 543 Y HN 0.510 nan 8.280 nan 0.000 0.454 544 P HA 0.213 nan 4.420 nan 0.000 0.274 544 P C -1.239 176.061 177.300 0.000 0.000 1.246 544 P CA -0.699 62.472 63.100 0.118 0.000 0.795 544 P CB 0.683 32.427 31.700 0.073 0.000 1.006 545 E N 2.633 122.842 120.200 0.015 0.000 2.328 545 E HA 0.066 4.415 4.350 -0.002 0.000 0.265 545 E C -1.766 174.695 176.600 -0.232 0.000 1.057 545 E CA -1.588 54.758 56.400 -0.090 0.000 0.916 545 E CB 0.094 29.750 29.700 -0.072 0.000 0.993 545 E HN 0.242 nan 8.360 nan 0.000 0.446 546 P HA -0.040 nan 4.420 nan 0.000 0.268 546 P C -0.018 177.120 177.300 -0.271 0.000 1.205 546 P CA 0.214 63.112 63.100 -0.336 0.000 0.771 546 P CB 1.266 32.659 31.700 -0.512 0.000 0.858 547 E N 0.958 121.059 120.200 -0.165 0.000 2.112 547 E HA -0.123 4.226 4.350 -0.002 0.000 0.190 547 E C 0.091 176.622 176.600 -0.115 0.000 0.979 547 E CA 0.483 56.802 56.400 -0.136 0.000 0.814 547 E CB 0.167 29.816 29.700 -0.084 0.000 0.762 547 E HN 0.383 nan 8.360 nan 0.000 0.460 548 D N 0.200 120.555 120.400 -0.075 0.000 2.485 548 D HA 0.075 4.714 4.640 -0.002 0.000 0.229 548 D C 0.227 176.529 176.300 0.003 0.000 1.101 548 D CA -0.196 53.784 54.000 -0.033 0.000 0.906 548 D CB 0.987 41.784 40.800 -0.005 0.000 1.019 548 D HN -0.109 nan 8.370 nan 0.000 0.516 549 K N 2.044 122.432 120.400 -0.020 0.000 2.044 549 K HA -0.118 4.201 4.320 -0.002 0.000 0.210 549 K C 1.877 178.541 176.600 0.107 0.000 1.049 549 K CA 1.594 57.912 56.287 0.052 0.000 0.927 549 K CB -0.373 32.138 32.500 0.019 0.000 0.713 549 K HN 0.429 nan 8.250 nan 0.000 0.443 550 A N 1.130 123.984 122.820 0.056 0.000 1.883 550 A HA -0.273 4.046 4.320 -0.002 0.000 0.217 550 A C 2.162 179.773 177.584 0.045 0.000 1.186 550 A CA 2.141 54.204 52.037 0.043 0.000 0.624 550 A CB -0.542 18.472 19.000 0.024 0.000 0.822 550 A HN 0.347 nan 8.150 nan 0.000 0.444 551 K N -1.965 118.467 120.400 0.052 0.000 2.097 551 K HA -0.210 4.109 4.320 -0.002 0.000 0.206 551 K C 1.960 178.612 176.600 0.087 0.000 1.049 551 K CA 1.715 58.033 56.287 0.052 0.000 0.933 551 K CB -0.387 32.140 32.500 0.045 0.000 0.717 551 K HN 0.513 nan 8.250 nan 0.000 0.442 552 Y N 1.296 121.590 120.300 -0.009 0.000 2.145 552 Y HA -0.211 4.338 4.550 -0.002 0.000 0.286 552 Y C 1.846 177.755 175.900 0.015 0.000 1.145 552 Y CA 1.450 59.551 58.100 0.002 0.000 1.148 552 Y CB -0.469 37.991 38.460 0.001 0.000 0.981 552 Y HN -0.149 nan 8.280 nan 0.000 0.507 553 V N 0.887 120.730 119.914 -0.118 0.000 2.295 553 V HA -0.313 3.806 4.120 -0.002 0.000 0.246 553 V C 2.268 178.271 176.094 -0.151 0.000 1.049 553 V CA 2.388 64.567 62.300 -0.202 0.000 1.024 553 V CB -0.658 31.133 31.823 -0.052 0.000 0.648 553 V HN 0.321 nan 8.190 nan 0.000 0.447 554 K N -0.080 120.274 120.400 -0.075 0.000 2.147 554 K HA -0.189 4.129 4.320 -0.002 0.000 0.205 554 K C 2.076 178.636 176.600 -0.067 0.000 1.049 554 K CA 1.603 57.856 56.287 -0.057 0.000 0.936 554 K CB -0.174 32.309 32.500 -0.029 0.000 0.722 554 K HN 0.570 nan 8.250 nan 0.000 0.446 555 E N 0.368 120.523 120.200 -0.074 0.000 2.216 555 E HA -0.105 4.243 4.350 -0.002 0.000 0.192 555 E C 1.785 178.333 176.600 -0.087 0.000 0.988 555 E CA 0.518 56.883 56.400 -0.060 0.000 0.834 555 E CB 0.244 29.934 29.700 -0.016 0.000 0.772 555 E HN 0.219 nan 8.360 nan 0.000 0.479 556 Q N 0.311 120.011 119.800 -0.167 0.000 2.451 556 Q HA -0.008 4.331 4.340 -0.002 0.000 0.206 556 Q C 0.705 176.666 176.000 -0.064 0.000 0.947 556 Q CA 0.527 56.236 55.803 -0.157 0.000 0.937 556 Q CB 0.116 28.655 28.738 -0.332 0.000 1.025 556 Q HN 0.272 nan 8.270 nan 0.000 0.511 557 T N -1.926 112.596 114.554 -0.053 0.000 2.916 557 T HA 0.131 4.480 4.350 -0.002 0.000 0.303 557 T C -0.317 174.418 174.700 0.059 0.000 1.025 557 T CA -0.738 61.366 62.100 0.006 0.000 1.142 557 T CB 0.920 69.778 68.868 -0.017 0.000 0.947 557 T HN 0.229 nan 8.240 nan 0.000 0.544 558 W N 3.696 124.946 121.300 -0.084 0.000 2.238 558 W HA 0.438 5.097 4.660 -0.002 0.000 0.321 558 W C -0.025 176.439 176.519 -0.091 0.000 1.293 558 W CA -0.925 56.371 57.345 -0.082 0.000 1.204 558 W CB 0.595 29.995 29.460 -0.100 0.000 1.167 558 W HN 0.525 nan 8.180 nan 0.000 0.553 559 R N 2.919 122.898 120.500 -0.868 0.000 2.604 559 R HA 0.172 4.511 4.340 -0.002 0.000 0.287 559 R C 1.077 176.557 176.300 -1.365 0.000 0.970 559 R CA -0.033 55.584 56.100 -0.807 0.000 0.946 559 R CB 1.479 31.488 30.300 -0.486 0.000 1.127 559 R HN 0.698 nan 8.270 nan 0.000 0.473 560 S N -0.195 115.015 115.700 -0.816 0.000 2.562 560 S HA 0.010 4.479 4.470 -0.002 0.000 0.221 560 S C 0.198 174.481 174.600 -0.528 0.000 0.975 560 S CA -0.014 57.793 58.200 -0.656 0.000 0.918 560 S CB 0.029 63.086 63.200 -0.239 0.000 0.772 560 S HN 0.501 nan 8.310 nan 0.000 0.531 561 E N 1.375 121.294 120.200 -0.467 0.000 2.384 561 E HA 0.257 4.606 4.350 -0.002 0.000 0.266 561 E C -0.700 175.725 176.600 -0.291 0.000 1.012 561 E CA -0.193 55.993 56.400 -0.356 0.000 0.901 561 E CB 0.188 29.750 29.700 -0.231 0.000 0.967 561 E HN 0.480 nan 8.360 nan 0.000 0.435 562 Y N 1.798 122.019 120.300 -0.132 0.000 2.702 562 Y HA -0.039 4.510 4.550 -0.002 0.000 0.336 562 Y C 0.698 176.542 175.900 -0.093 0.000 1.235 562 Y CA 0.090 58.125 58.100 -0.108 0.000 1.492 562 Y CB 0.594 38.990 38.460 -0.108 0.000 1.308 562 Y HN 0.404 nan 8.280 nan 0.000 0.589 563 D N 0.599 121.072 120.400 0.121 0.000 2.268 563 D HA 0.105 4.744 4.640 -0.002 0.000 0.249 563 D C -0.621 175.714 176.300 0.059 0.000 1.008 563 D CA -0.463 53.572 54.000 0.058 0.000 0.939 563 D CB 1.857 42.688 40.800 0.052 0.000 1.170 563 D HN 0.370 nan 8.370 nan 0.000 0.468 564 S N 0.541 116.269 115.700 0.046 0.000 2.548 564 S HA 0.186 4.655 4.470 -0.002 0.000 0.277 564 S C 0.863 175.497 174.600 0.057 0.000 1.315 564 S CA -0.407 57.821 58.200 0.046 0.000 1.050 564 S CB 0.161 63.385 63.200 0.040 0.000 0.918 564 S HN 0.337 nan 8.310 nan 0.000 0.497 565 L N 4.806 126.069 121.223 0.066 0.000 2.857 565 L HA 0.349 4.688 4.340 -0.002 0.000 0.249 565 L C 0.024 176.920 176.870 0.044 0.000 1.172 565 L CA -0.146 54.735 54.840 0.069 0.000 0.980 565 L CB -0.001 42.129 42.059 0.118 0.000 1.299 565 L HN 0.490 nan 8.230 nan 0.000 0.535 566 L N 2.826 124.075 121.223 0.044 0.000 2.416 566 L HA 0.198 4.537 4.340 -0.002 0.000 0.272 566 L C -1.506 175.383 176.870 0.032 0.000 1.161 566 L CA -1.406 53.453 54.840 0.032 0.000 0.845 566 L CB 0.568 42.649 42.059 0.036 0.000 1.119 566 L HN -0.043 nan 8.230 nan 0.000 0.464 567 P HA 0.038 nan 4.420 nan 0.000 0.274 567 P C -1.030 176.310 177.300 0.068 0.000 1.231 567 P CA -0.517 62.603 63.100 0.033 0.000 0.790 567 P CB 0.800 32.501 31.700 0.001 0.000 0.951 568 D N 1.397 121.865 120.400 0.113 0.000 2.342 568 D HA 0.177 4.816 4.640 -0.002 0.000 0.260 568 D C -0.660 175.774 176.300 0.223 0.000 1.278 568 D CA 0.093 54.201 54.000 0.180 0.000 0.910 568 D CB -0.040 40.891 40.800 0.218 0.000 1.079 568 D HN -0.058 nan 8.370 nan 0.000 0.496 569 V N 5.880 125.906 119.914 0.187 0.000 2.459 569 V HA 0.581 4.700 4.120 -0.002 0.000 0.295 569 V C -0.543 175.674 176.094 0.205 0.000 1.029 569 V CA -0.663 61.679 62.300 0.071 0.000 0.874 569 V CB 0.955 32.775 31.823 -0.004 0.000 0.985 569 V HN 0.480 nan 8.190 nan 0.000 0.438 570 Y N 0.930 121.215 120.300 -0.025 0.000 2.641 570 Y HA 0.654 5.203 4.550 -0.002 0.000 0.333 570 Y C -0.637 175.260 175.900 -0.005 0.000 1.174 570 Y CA -1.288 56.816 58.100 0.006 0.000 1.057 570 Y CB 1.034 39.522 38.460 0.045 0.000 1.322 570 Y HN 0.524 nan 8.280 nan 0.000 0.457 571 E N 1.212 121.503 120.200 0.152 0.000 2.349 571 E HA 0.131 4.480 4.350 -0.002 0.000 0.265 571 E C -1.318 175.466 176.600 0.307 0.000 1.064 571 E CA -0.579 55.885 56.400 0.107 0.000 0.886 571 E CB 0.884 30.652 29.700 0.113 0.000 1.036 571 E HN 0.511 nan 8.360 nan 0.000 0.413 572 W N 2.016 123.336 121.300 0.034 0.000 2.449 572 W HA 0.311 4.970 4.660 -0.002 0.000 0.331 572 W C -1.506 175.043 176.519 0.049 0.000 1.119 572 W CA -2.342 55.040 57.345 0.060 0.000 1.240 572 W CB -0.470 29.000 29.460 0.018 0.000 1.251 572 W HN 0.506 nan 8.180 nan 0.000 0.576 573 P HA 0.000 nan 4.420 nan 0.000 0.216 573 P CA 0.000 63.158 63.100 0.097 0.000 0.800 573 P CB 0.000 31.710 31.700 0.017 0.000 0.726