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 3df0_1_A DATA FIRST_RESID 24 DATA SEQUENCE AIKYLNQDYE TLRNECLEAG ALFQDPSFPA LPSSLGFKEL GPYSSKTRGI DATA SEQUENCE EWKRPTEICA DPQFIIGGAT RTDICQGALG DSWLLAAIAS LTLNEEILAR DATA SEQUENCE VVPLDQSFQE NYAGIFHFQF WQYGEWVEVV VDDRLPTKDG ELLFVHSAEG DATA SEQUENCE SEFWSALLEK AYAKINGCYE ALSGGATTEG FEDFTGGIAE WYELRKPPPN DATA SEQUENCE LFKIIQKALE KGSLLGCSID ITSAXXSEAV TYQKLVKGHA YSVTGAEEVE DATA SEQUENCE SSGSLQKLIR IRNPWGQVEW TGKWNDNCPS WNTVDPEVRA NLTERQEDGE DATA SEQUENCE FWMSFSDFLR HYSRLEICNL TPDTLTCDSY KKWKLTKMDG NWRRGSTAGG DATA SEQUENCE CRNYPNTFWM NPQYLIKLEE EDEDDEDGER GCTFLVGLIQ KHRRRQRKMG DATA SEQUENCE EDMHTIGFGI YEVPEELTGQ TNIHLSKNFF LTTRARERSD TFINLREVLN DATA SEQUENCE RFKLPPGEYV LVPSTFEPHK NGDFCIRVFS EKKADYQTVD DEIEANIEEI DATA SEQUENCE EANEEDIGDG FRRLFAQLAG EDAEISAFEL QTILRRVLAK REDIKSDGFS DATA SEQUENCE IETCKIMVDM LDEDGSGKLG LKEFYILWTK IQKYQKIYRE IDVDRSGTMN DATA SEQUENCE SYEMRKALEE AGFKLPCQLH QVIVARFADD ELIIDFDNFV RCLVRLEILF DATA SEQUENCE KIFKQLDPEN TGTIQLDLIS WLSFSVLG 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.677 177.584 0.155 0.000 1.274 24 A CA 0.000 52.146 52.037 0.182 0.000 0.836 24 A CB 0.000 19.111 19.000 0.185 0.000 0.831 25 I N 1.221 121.894 120.570 0.173 0.000 2.474 25 I HA 0.226 4.390 4.170 -0.010 0.000 0.287 25 I C 0.489 176.703 176.117 0.161 0.000 1.048 25 I CA -0.139 61.245 61.300 0.139 0.000 1.383 25 I CB 1.131 39.205 38.000 0.124 0.000 1.412 25 I HN 0.664 nan 8.210 nan 0.000 0.531 26 K N 5.665 126.144 120.400 0.131 0.000 2.310 26 K HA 0.111 4.425 4.320 -0.010 0.000 0.290 26 K C -0.428 176.270 176.600 0.164 0.000 1.077 26 K CA -0.290 56.084 56.287 0.144 0.000 0.922 26 K CB 0.079 32.634 32.500 0.093 0.000 1.057 26 K HN 0.252 nan 8.250 nan 0.000 0.479 27 Y N 3.852 124.208 120.300 0.092 0.000 2.702 27 Y HA -0.120 4.424 4.550 -0.009 0.000 0.336 27 Y C 0.893 176.831 175.900 0.064 0.000 1.235 27 Y CA 0.347 58.498 58.100 0.084 0.000 1.492 27 Y CB 0.195 38.721 38.460 0.111 0.000 1.308 27 Y HN 0.657 nan 8.280 nan 0.000 0.589 28 L N 4.000 124.773 121.223 -0.749 0.000 4.269 28 L HA -0.516 3.819 4.340 -0.010 0.000 0.431 28 L C 0.995 177.746 176.870 -0.198 0.000 1.139 28 L CA 1.135 55.660 54.840 -0.525 0.000 0.982 28 L CB -1.126 40.602 42.059 -0.552 0.000 1.915 28 L HN 0.953 nan 8.230 nan 0.000 1.015 29 N N 0.518 119.154 118.700 -0.106 0.000 2.721 29 N HA -0.194 4.540 4.740 -0.010 0.000 0.249 29 N C 0.104 175.599 175.510 -0.024 0.000 1.072 29 N CA 1.609 54.636 53.050 -0.038 0.000 0.710 29 N CB -0.231 38.230 38.487 -0.044 0.000 0.993 29 N HN 0.713 nan 8.380 nan 0.000 0.547 30 Q N 0.298 120.096 119.800 -0.004 0.000 2.222 30 Q HA 0.466 4.800 4.340 -0.010 0.000 0.252 30 Q C -0.522 175.494 176.000 0.027 0.000 0.926 30 Q CA -0.655 55.151 55.803 0.005 0.000 0.899 30 Q CB 1.601 30.352 28.738 0.021 0.000 1.250 30 Q HN 0.202 nan 8.270 nan 0.000 0.441 31 D N -0.378 120.018 120.400 -0.006 0.000 2.248 31 D HA 0.093 4.727 4.640 -0.010 0.000 0.246 31 D C -0.381 175.902 176.300 -0.028 0.000 1.027 31 D CA -0.525 53.477 54.000 0.003 0.000 0.853 31 D CB 0.922 41.710 40.800 -0.019 0.000 1.243 31 D HN 0.573 nan 8.370 nan 0.000 0.462 32 Y N 2.409 122.619 120.300 -0.150 0.000 2.089 32 Y HA -0.100 4.445 4.550 -0.009 0.000 0.282 32 Y C 1.748 177.486 175.900 -0.269 0.000 1.139 32 Y CA 1.441 59.381 58.100 -0.267 0.000 1.123 32 Y CB 0.318 38.499 38.460 -0.465 0.000 0.980 32 Y HN 0.485 nan 8.280 nan 0.000 0.493 33 E N -0.627 119.487 120.200 -0.145 0.000 2.478 33 E HA -0.072 4.272 4.350 -0.010 0.000 0.198 33 E C 1.134 177.612 176.600 -0.204 0.000 1.046 33 E CA 1.124 57.403 56.400 -0.203 0.000 0.870 33 E CB 0.048 29.705 29.700 -0.071 0.000 0.818 33 E HN 0.507 nan 8.360 nan 0.000 0.527 34 T N 0.090 114.531 114.554 -0.190 0.000 3.069 34 T HA 0.176 4.520 4.350 -0.010 0.000 0.252 34 T C 1.582 176.133 174.700 -0.247 0.000 1.053 34 T CA -0.191 61.805 62.100 -0.173 0.000 0.964 34 T CB 0.557 69.357 68.868 -0.113 0.000 1.005 34 T HN 0.043 nan 8.240 nan 0.000 0.532 35 L N 0.403 121.409 121.223 -0.362 0.000 2.347 35 L HA 0.321 4.655 4.340 -0.010 0.000 0.196 35 L C 2.659 179.183 176.870 -0.576 0.000 1.072 35 L CA 0.680 55.204 54.840 -0.527 0.000 0.817 35 L CB -0.529 41.193 42.059 -0.561 0.000 1.029 35 L HN 0.113 nan 8.230 nan 0.000 0.478 36 R N 0.682 120.826 120.500 -0.593 0.000 2.127 36 R HA -0.201 4.134 4.340 -0.010 0.000 0.238 36 R C 1.805 177.924 176.300 -0.302 0.000 1.134 36 R CA 1.825 57.618 56.100 -0.512 0.000 0.975 36 R CB 0.017 29.920 30.300 -0.661 0.000 0.865 36 R HN 0.347 nan 8.270 nan 0.000 0.447 37 N N 0.340 118.887 118.700 -0.255 0.000 2.188 37 N HA -0.136 4.598 4.740 -0.010 0.000 0.184 37 N C 0.664 176.109 175.510 -0.109 0.000 1.018 37 N CA 0.977 53.934 53.050 -0.155 0.000 0.858 37 N CB 0.124 38.532 38.487 -0.132 0.000 0.989 37 N HN 0.222 nan 8.380 nan 0.000 0.426 38 E N -0.567 119.550 120.200 -0.137 0.000 2.296 38 E HA 0.088 4.433 4.350 -0.010 0.000 0.196 38 E C 0.049 176.738 176.600 0.149 0.000 1.143 38 E CA -0.204 56.173 56.400 -0.038 0.000 1.145 38 E CB -0.114 29.531 29.700 -0.090 0.000 1.215 38 E HN 0.461 nan 8.360 nan 0.000 0.447 39 C N -1.188 118.185 119.300 0.122 0.000 2.508 39 C HA 0.157 4.611 4.460 -0.010 0.000 0.407 39 C C 1.816 176.847 174.990 0.068 0.000 1.494 39 C CA -0.504 58.652 59.018 0.230 0.000 2.531 39 C CB -0.486 27.373 27.740 0.200 0.000 2.480 39 C HN 0.379 nan 8.230 nan 0.000 0.614 40 L N 1.912 123.145 121.223 0.018 0.000 2.551 40 L HA -0.056 4.279 4.340 -0.010 0.000 0.230 40 L C 2.038 178.909 176.870 0.002 0.000 1.163 40 L CA 1.739 56.580 54.840 0.001 0.000 0.826 40 L CB -1.253 40.797 42.059 -0.014 0.000 0.943 40 L HN 0.594 nan 8.230 nan 0.000 0.452 41 E N -1.227 118.979 120.200 0.010 0.000 2.447 41 E HA 0.121 4.466 4.350 -0.010 0.000 0.204 41 E C 1.868 178.476 176.600 0.013 0.000 0.977 41 E CA 0.608 57.012 56.400 0.007 0.000 0.950 41 E CB 0.678 30.379 29.700 0.001 0.000 0.975 41 E HN 0.376 nan 8.360 nan 0.000 0.496 42 A N 0.402 123.240 122.820 0.030 0.000 1.973 42 A HA 0.443 4.757 4.320 -0.010 0.000 0.210 42 A C 1.360 178.914 177.584 -0.050 0.000 1.200 42 A CA 1.281 53.322 52.037 0.007 0.000 0.707 42 A CB 0.506 19.541 19.000 0.058 0.000 0.862 42 A HN 0.312 nan 8.150 nan 0.000 0.461 43 G N -1.762 107.005 108.800 -0.055 0.000 1.876 43 G HA2 0.462 4.416 3.960 -0.010 0.000 0.059 43 G HA3 0.462 4.416 3.960 -0.010 0.000 0.059 43 G C 0.495 175.347 174.900 -0.080 0.000 0.755 43 G CA 0.431 45.486 45.100 -0.075 0.000 1.092 43 G HN 1.261 nan 8.290 nan 0.000 0.322 44 A N -0.413 122.321 122.820 -0.142 0.000 3.934 44 A HA 0.892 5.206 4.320 -0.010 0.000 0.163 44 A C -0.062 177.429 177.584 -0.155 0.000 1.103 44 A CA -0.253 51.720 52.037 -0.107 0.000 1.170 44 A CB -0.367 18.589 19.000 -0.074 0.000 1.564 44 A HN 1.022 nan 8.150 nan 0.000 0.705 45 L N 0.069 121.223 121.223 -0.115 0.000 2.350 45 L HA 0.444 4.779 4.340 -0.010 0.000 0.275 45 L C -1.129 175.676 176.870 -0.110 0.000 1.099 45 L CA -0.042 54.758 54.840 -0.067 0.000 0.808 45 L CB 0.531 42.610 42.059 0.033 0.000 1.149 45 L HN 0.504 nan 8.230 nan 0.000 0.442 46 F N 1.160 121.070 119.950 -0.068 0.000 2.410 46 F HA 0.277 4.798 4.527 -0.010 0.000 0.349 46 F C 0.791 176.589 175.800 -0.003 0.000 1.117 46 F CA -0.250 57.721 58.000 -0.048 0.000 1.104 46 F CB 1.483 40.430 39.000 -0.088 0.000 1.122 46 F HN 0.551 nan 8.300 nan 0.000 0.483 47 Q N 1.265 121.171 119.800 0.176 0.000 2.447 47 Q HA 0.246 4.580 4.340 -0.010 0.000 0.180 47 Q C -1.057 175.057 176.000 0.190 0.000 1.135 47 Q CA 0.110 55.992 55.803 0.132 0.000 1.206 47 Q CB 0.353 29.118 28.738 0.045 0.000 1.351 47 Q HN 0.436 nan 8.270 nan 0.000 0.646 48 D N -0.477 119.994 120.400 0.118 0.000 2.323 48 D HA 0.198 4.832 4.640 -0.010 0.000 0.242 48 D C -2.061 174.291 176.300 0.087 0.000 1.347 48 D CA -1.057 53.022 54.000 0.131 0.000 0.988 48 D CB 1.280 42.196 40.800 0.192 0.000 1.314 48 D HN 0.173 nan 8.370 nan 0.000 0.564 49 P HA -0.206 nan 4.420 nan 0.000 0.215 49 P C 1.433 178.767 177.300 0.056 0.000 1.157 49 P CA 1.128 64.257 63.100 0.048 0.000 0.868 49 P CB 0.187 31.913 31.700 0.044 0.000 0.788 50 S N -0.720 115.032 115.700 0.087 0.000 2.374 50 S HA -0.179 4.285 4.470 -0.010 0.000 0.227 50 S C 0.837 175.563 174.600 0.211 0.000 1.037 50 S CA 0.838 59.108 58.200 0.116 0.000 1.024 50 S CB -1.232 62.042 63.200 0.122 0.000 0.861 50 S HN 0.226 nan 8.310 nan 0.000 0.456 51 F N 4.011 123.983 119.950 0.036 0.000 2.824 51 F HA 0.460 4.982 4.527 -0.009 0.000 0.375 51 F C -2.744 173.038 175.800 -0.030 0.000 1.190 51 F CA -2.668 55.350 58.000 0.030 0.000 1.180 51 F CB 1.276 40.319 39.000 0.071 0.000 1.477 51 F HN -0.056 nan 8.300 nan 0.000 0.542 52 P HA -0.015 nan 4.420 nan 0.000 0.267 52 P C -0.412 176.477 177.300 -0.685 0.000 1.201 52 P CA 0.106 62.972 63.100 -0.390 0.000 0.775 52 P CB 1.001 32.533 31.700 -0.280 0.000 0.854 53 A N 3.595 126.018 122.820 -0.662 0.000 3.003 53 A HA 0.307 4.621 4.320 -0.010 0.000 0.301 53 A C 0.152 177.300 177.584 -0.727 0.000 1.280 53 A CA -0.211 51.078 52.037 -1.248 0.000 0.973 53 A CB -0.491 17.731 19.000 -1.296 0.000 1.110 53 A HN 0.360 nan 8.150 nan 0.000 0.590 54 L N -0.366 120.670 121.223 -0.312 0.000 2.322 54 L HA 0.431 4.765 4.340 -0.010 0.000 0.269 54 L C -2.272 174.662 176.870 0.108 0.000 1.012 54 L CA -1.922 52.892 54.840 -0.042 0.000 0.815 54 L CB 1.521 43.539 42.059 -0.068 0.000 1.295 54 L HN 0.043 nan 8.230 nan 0.000 0.438 55 P HA 0.116 nan 4.420 nan 0.000 0.246 55 P C 0.057 177.393 177.300 0.060 0.000 1.675 55 P CA 0.492 63.673 63.100 0.134 0.000 0.908 55 P CB 0.232 31.970 31.700 0.063 0.000 1.890 56 S N -2.200 113.544 115.700 0.074 0.000 2.760 56 S HA 0.052 4.516 4.470 -0.010 0.000 0.263 56 S C 1.048 175.698 174.600 0.085 0.000 1.007 56 S CA -0.106 58.133 58.200 0.065 0.000 1.358 56 S CB 0.126 63.346 63.200 0.032 0.000 1.228 56 S HN 0.039 nan 8.310 nan 0.000 0.684 57 S N 1.658 117.398 115.700 0.067 0.000 2.768 57 S HA 0.371 4.836 4.470 -0.010 0.000 0.246 57 S C 0.631 175.412 174.600 0.303 0.000 1.006 57 S CA 0.099 58.315 58.200 0.027 0.000 1.075 57 S CB -0.008 62.989 63.200 -0.338 0.000 0.786 57 S HN 0.359 nan 8.310 nan 0.000 0.468 58 L N -0.799 120.581 121.223 0.262 0.000 2.692 58 L HA 0.584 4.918 4.340 -0.010 0.000 0.175 58 L C 0.731 177.686 176.870 0.143 0.000 1.112 58 L CA 0.679 55.670 54.840 0.251 0.000 0.908 58 L CB 0.165 42.332 42.059 0.180 0.000 1.672 58 L HN 0.348 nan 8.230 nan 0.000 0.500 59 G N -2.402 106.440 108.800 0.071 0.000 2.619 59 G HA2 0.378 4.332 3.960 -0.010 0.000 0.305 59 G HA3 0.378 4.332 3.960 -0.010 0.000 0.305 59 G C -0.936 173.947 174.900 -0.028 0.000 1.330 59 G CA 0.205 45.209 45.100 -0.159 0.000 0.789 59 G HN 0.139 nan 8.290 nan 0.000 0.487 60 F N -2.057 117.928 119.950 0.058 0.000 2.533 60 F HA 0.530 5.051 4.527 -0.010 0.000 0.313 60 F C 1.458 177.295 175.800 0.061 0.000 0.834 60 F CA 0.287 58.316 58.000 0.048 0.000 1.061 60 F CB 0.790 39.821 39.000 0.051 0.000 0.915 60 F HN 0.598 nan 8.300 nan 0.000 0.693 61 K N 0.323 120.683 120.400 -0.066 0.000 2.602 61 K HA 0.167 4.481 4.320 -0.010 0.000 0.245 61 K C 1.742 178.310 176.600 -0.053 0.000 1.288 61 K CA 0.314 56.642 56.287 0.070 0.000 0.782 61 K CB 0.120 32.764 32.500 0.240 0.000 1.694 61 K HN -0.033 nan 8.250 nan 0.000 0.384 62 E N 0.660 120.782 120.200 -0.130 0.000 2.274 62 E HA -0.078 4.266 4.350 -0.010 0.000 0.194 62 E C 0.368 176.911 176.600 -0.095 0.000 0.996 62 E CA 0.693 57.049 56.400 -0.073 0.000 0.840 62 E CB 0.457 30.132 29.700 -0.043 0.000 0.772 62 E HN 0.174 nan 8.360 nan 0.000 0.491 63 L N 0.209 121.316 121.223 -0.193 0.000 3.255 63 L HA 0.355 4.689 4.340 -0.010 0.000 0.293 63 L C 0.187 176.978 176.870 -0.131 0.000 1.302 63 L CA -0.191 54.575 54.840 -0.125 0.000 0.977 63 L CB 0.901 42.905 42.059 -0.093 0.000 1.390 63 L HN -0.114 nan 8.230 nan 0.000 0.588 64 G N -0.253 108.485 108.800 -0.103 0.000 2.503 64 G HA2 0.350 4.304 3.960 -0.010 0.000 0.257 64 G HA3 0.350 4.304 3.960 -0.010 0.000 0.257 64 G C -1.547 173.313 174.900 -0.066 0.000 1.214 64 G CA -0.940 44.125 45.100 -0.058 0.000 0.839 64 G HN 0.171 nan 8.290 nan 0.000 0.559 65 P HA -0.194 nan 4.420 nan 0.000 0.223 65 P C -0.099 176.921 177.300 -0.468 0.000 1.153 65 P CA 1.837 64.691 63.100 -0.410 0.000 0.853 65 P CB -0.108 31.163 31.700 -0.715 0.000 0.777 66 Y N -5.276 115.040 120.300 0.027 0.000 3.023 66 Y HA 0.436 4.980 4.550 -0.010 0.000 0.233 66 Y C 0.125 176.032 175.900 0.012 0.000 0.994 66 Y CA -1.772 56.340 58.100 0.019 0.000 1.141 66 Y CB -1.074 37.398 38.460 0.021 0.000 1.242 66 Y HN -0.264 nan 8.280 nan 0.000 0.667 67 S N 0.684 116.484 115.700 0.167 0.000 2.499 67 S HA 0.290 4.754 4.470 -0.010 0.000 0.275 67 S C 1.209 175.847 174.600 0.063 0.000 1.257 67 S CA 0.487 58.744 58.200 0.095 0.000 1.050 67 S CB 0.896 64.129 63.200 0.054 0.000 0.937 67 S HN 0.482 nan 8.310 nan 0.000 0.490 68 S N 5.230 120.959 115.700 0.050 0.000 2.457 68 S HA -0.296 4.168 4.470 -0.010 0.000 0.269 68 S C 1.780 176.387 174.600 0.011 0.000 1.139 68 S CA 2.240 60.457 58.200 0.029 0.000 1.176 68 S CB -0.767 62.443 63.200 0.015 0.000 1.088 68 S HN 0.825 nan 8.310 nan 0.000 0.443 69 K N 1.078 121.479 120.400 0.002 0.000 2.117 69 K HA -0.154 4.160 4.320 -0.010 0.000 0.215 69 K C 1.336 177.919 176.600 -0.028 0.000 1.053 69 K CA 1.852 58.129 56.287 -0.017 0.000 0.935 69 K CB -1.079 31.413 32.500 -0.014 0.000 0.719 69 K HN 0.741 nan 8.250 nan 0.000 0.460 70 T N -0.296 114.248 114.554 -0.016 0.000 2.794 70 T HA 0.511 4.855 4.350 -0.010 0.000 0.304 70 T C -0.293 174.392 174.700 -0.025 0.000 0.973 70 T CA -0.692 61.391 62.100 -0.029 0.000 0.972 70 T CB 0.446 69.300 68.868 -0.023 0.000 0.952 70 T HN 0.181 nan 8.240 nan 0.000 0.509 71 R N 1.737 122.210 120.500 -0.046 0.000 3.197 71 R HA 0.446 4.781 4.340 -0.010 0.000 0.261 71 R C 0.510 176.775 176.300 -0.059 0.000 1.015 71 R CA 0.302 56.379 56.100 -0.037 0.000 0.949 71 R CB 0.608 30.901 30.300 -0.013 0.000 1.256 71 R HN 1.003 nan 8.270 nan 0.000 0.514 72 G N 1.797 110.565 108.800 -0.054 0.000 2.217 72 G HA2 -0.256 3.698 3.960 -0.010 0.000 0.246 72 G HA3 -0.256 3.698 3.960 -0.010 0.000 0.246 72 G C -0.047 174.796 174.900 -0.095 0.000 0.990 72 G CA 0.313 45.374 45.100 -0.065 0.000 0.627 72 G HN 0.503 nan 8.290 nan 0.000 0.522 73 I N 0.270 120.766 120.570 -0.123 0.000 2.556 73 I HA 0.680 4.844 4.170 -0.010 0.000 0.284 73 I C 0.190 176.186 176.117 -0.202 0.000 1.114 73 I CA -0.619 60.562 61.300 -0.198 0.000 1.418 73 I CB 0.797 38.650 38.000 -0.245 0.000 1.394 73 I HN 0.174 nan 8.210 nan 0.000 0.552 74 E N 4.584 124.644 120.200 -0.233 0.000 2.292 74 E HA 0.290 4.635 4.350 -0.010 0.000 0.272 74 E C -1.764 174.744 176.600 -0.154 0.000 0.881 74 E CA -0.545 55.775 56.400 -0.133 0.000 0.754 74 E CB 1.525 31.204 29.700 -0.034 0.000 1.201 74 E HN 0.583 nan 8.360 nan 0.000 0.425 75 W N 3.767 125.097 121.300 0.050 0.000 2.365 75 W HA 0.208 4.862 4.660 -0.010 0.000 0.371 75 W C 0.118 176.683 176.519 0.077 0.000 1.006 75 W CA -0.588 56.804 57.345 0.078 0.000 1.528 75 W CB 0.406 29.919 29.460 0.088 0.000 1.497 75 W HN -0.112 nan 8.180 nan 0.000 0.367 76 K N 3.311 123.852 120.400 0.236 0.000 2.206 76 K HA 0.441 4.755 4.320 -0.010 0.000 0.264 76 K C 0.412 177.114 176.600 0.171 0.000 0.967 76 K CA -1.088 55.300 56.287 0.168 0.000 0.844 76 K CB 1.526 34.086 32.500 0.099 0.000 1.099 76 K HN 0.377 nan 8.250 nan 0.000 0.441 77 R N 2.107 122.695 120.500 0.147 0.000 2.679 77 R HA 0.076 4.410 4.340 -0.010 0.000 0.269 77 R C -1.407 174.865 176.300 -0.047 0.000 1.076 77 R CA -1.534 54.633 56.100 0.113 0.000 1.160 77 R CB -0.017 30.387 30.300 0.174 0.000 1.054 77 R HN 0.247 nan 8.270 nan 0.000 0.507 78 P HA -0.185 nan 4.420 nan 0.000 0.217 78 P C 1.001 178.089 177.300 -0.354 0.000 1.148 78 P CA 1.545 64.181 63.100 -0.772 0.000 0.828 78 P CB 0.013 30.856 31.700 -1.428 0.000 0.783 79 T N -2.630 111.808 114.554 -0.193 0.000 2.897 79 T HA -0.153 4.192 4.350 -0.010 0.000 0.271 79 T C 1.466 176.152 174.700 -0.024 0.000 1.084 79 T CA 1.180 63.229 62.100 -0.085 0.000 1.123 79 T CB -0.714 68.169 68.868 0.024 0.000 0.865 79 T HN 0.310 nan 8.240 nan 0.000 0.496 80 E N 1.169 121.367 120.200 -0.004 0.000 2.276 80 E HA 0.191 4.536 4.350 -0.010 0.000 0.193 80 E C 1.720 178.340 176.600 0.032 0.000 0.983 80 E CA 0.583 56.999 56.400 0.028 0.000 0.861 80 E CB 0.073 29.803 29.700 0.050 0.000 0.817 80 E HN 0.773 nan 8.360 nan 0.000 0.485 81 I N -2.114 118.481 120.570 0.042 0.000 3.833 81 I HA 0.416 4.580 4.170 -0.010 0.000 0.328 81 I C -0.211 175.961 176.117 0.091 0.000 1.554 81 I CA -0.736 60.604 61.300 0.067 0.000 1.116 81 I CB 1.015 39.069 38.000 0.090 0.000 1.182 81 I HN -0.062 nan 8.210 nan 0.000 0.459 82 C N 0.991 120.333 119.300 0.069 0.000 3.101 82 C HA 0.627 5.082 4.460 -0.010 0.000 0.401 82 C C 1.558 176.567 174.990 0.031 0.000 1.075 82 C CA 0.155 59.225 59.018 0.086 0.000 1.281 82 C CB 0.781 28.658 27.740 0.229 0.000 1.667 82 C HN 0.605 nan 8.230 nan 0.000 0.517 83 A N 3.067 125.900 122.820 0.022 0.000 1.908 83 A HA -0.009 4.305 4.320 -0.010 0.000 0.218 83 A C 0.727 178.308 177.584 -0.005 0.000 1.181 83 A CA 2.080 54.121 52.037 0.007 0.000 0.627 83 A CB -0.207 18.800 19.000 0.011 0.000 0.818 83 A HN 0.910 nan 8.150 nan 0.000 0.445 84 D N 0.208 120.612 120.400 0.007 0.000 2.514 84 D HA 0.358 4.992 4.640 -0.010 0.000 0.267 84 D C -2.840 173.456 176.300 -0.008 0.000 1.165 84 D CA -1.625 52.377 54.000 0.003 0.000 0.958 84 D CB 0.489 41.305 40.800 0.026 0.000 0.992 84 D HN 0.164 nan 8.370 nan 0.000 0.506 85 P HA 0.123 nan 4.420 nan 0.000 0.280 85 P C 0.027 177.139 177.300 -0.314 0.000 1.300 85 P CA -0.203 62.676 63.100 -0.369 0.000 0.785 85 P CB 0.900 32.033 31.700 -0.945 0.000 0.874 86 Q N 1.794 121.657 119.800 0.106 0.000 2.241 86 Q HA 0.358 4.692 4.340 -0.010 0.000 0.262 86 Q C 0.040 176.497 176.000 0.762 0.000 1.014 86 Q CA -0.579 55.454 55.803 0.382 0.000 0.885 86 Q CB 1.459 30.357 28.738 0.266 0.000 1.311 86 Q HN 0.320 nan 8.270 nan 0.000 0.461 87 F N 0.838 121.158 119.950 0.616 0.000 2.289 87 F HA 0.244 4.766 4.527 -0.009 0.000 0.280 87 F C 0.720 176.765 175.800 0.409 0.000 1.045 87 F CA 0.231 58.581 58.000 0.583 0.000 1.236 87 F CB 0.541 39.781 39.000 0.398 0.000 1.116 87 F HN 0.539 nan 8.300 nan 0.000 0.550 88 I N -0.206 120.515 120.570 0.252 0.000 2.785 88 I HA 0.532 4.696 4.170 -0.010 0.000 0.302 88 I C -1.448 174.710 176.117 0.070 0.000 1.069 88 I CA -0.856 60.429 61.300 -0.025 0.000 1.045 88 I CB 2.591 40.404 38.000 -0.312 0.000 1.236 88 I HN 0.047 nan 8.210 nan 0.000 0.429 89 I N 5.192 125.783 120.570 0.035 0.000 2.685 89 I HA 0.493 4.657 4.170 -0.010 0.000 0.289 89 I C 0.287 176.417 176.117 0.021 0.000 1.292 89 I CA 0.333 61.660 61.300 0.046 0.000 1.050 89 I CB 1.422 39.468 38.000 0.076 0.000 1.301 89 I HN 1.072 nan 8.210 nan 0.000 0.425 90 G N 5.609 114.412 108.800 0.006 0.000 2.298 90 G HA2 0.125 4.080 3.960 -0.010 0.000 0.287 90 G HA3 0.125 4.080 3.960 -0.010 0.000 0.287 90 G C 0.770 175.654 174.900 -0.027 0.000 1.075 90 G CA 0.682 45.780 45.100 -0.002 0.000 0.960 90 G HN 2.256 nan 8.290 nan 0.000 0.502 91 G N -1.168 107.594 108.800 -0.063 0.000 2.825 91 G HA2 0.363 4.317 3.960 -0.010 0.000 0.684 91 G HA3 0.363 4.317 3.960 -0.010 0.000 0.684 91 G C 0.435 175.213 174.900 -0.203 0.000 1.528 91 G CA 0.644 45.671 45.100 -0.121 0.000 0.963 91 G HN 2.242 nan 8.290 nan 0.000 0.577 92 A N 1.530 124.121 122.820 -0.382 0.000 2.807 92 A HA 0.727 5.041 4.320 -0.010 0.000 0.307 92 A C 1.058 178.495 177.584 -0.245 0.000 1.532 92 A CA 1.140 52.768 52.037 -0.682 0.000 1.215 92 A CB -0.490 17.660 19.000 -1.416 0.000 1.127 92 A HN 2.254 nan 8.150 nan 0.000 0.543 93 T N -1.155 113.408 114.554 0.015 0.000 2.922 93 T HA 0.420 4.765 4.350 -0.010 0.000 0.281 93 T C 1.156 175.951 174.700 0.158 0.000 1.005 93 T CA -0.377 61.758 62.100 0.059 0.000 0.982 93 T CB 0.849 69.734 68.868 0.029 0.000 1.158 93 T HN 0.638 nan 8.240 nan 0.000 0.566 94 R N -0.380 120.167 120.500 0.078 0.000 2.316 94 R HA 0.017 4.352 4.340 -0.010 0.000 0.202 94 R C 1.625 177.943 176.300 0.030 0.000 1.029 94 R CA 1.296 57.428 56.100 0.054 0.000 1.018 94 R CB -1.050 29.252 30.300 0.004 0.000 0.888 94 R HN 0.758 nan 8.270 nan 0.000 0.471 95 T N -2.467 112.112 114.554 0.042 0.000 3.113 95 T HA 0.034 4.378 4.350 -0.010 0.000 0.256 95 T C 0.904 175.615 174.700 0.018 0.000 1.131 95 T CA 0.361 62.474 62.100 0.022 0.000 1.074 95 T CB 0.125 69.007 68.868 0.023 0.000 0.944 95 T HN 0.124 nan 8.240 nan 0.000 0.516 96 D N 1.191 121.629 120.400 0.062 0.000 2.194 96 D HA 0.124 4.759 4.640 -0.010 0.000 0.204 96 D C 0.309 176.501 176.300 -0.180 0.000 0.964 96 D CA 0.456 54.466 54.000 0.017 0.000 0.846 96 D CB 0.010 40.971 40.800 0.269 0.000 0.962 96 D HN 0.427 nan 8.370 nan 0.000 0.490 97 I N 1.505 121.972 120.570 -0.173 0.000 2.322 97 I HA 0.064 4.228 4.170 -0.010 0.000 0.292 97 I C -0.460 175.528 176.117 -0.215 0.000 1.060 97 I CA 0.053 61.201 61.300 -0.253 0.000 1.309 97 I CB 0.747 38.623 38.000 -0.207 0.000 1.415 97 I HN -0.066 nan 8.210 nan 0.000 0.492 98 C N 4.854 123.958 119.300 -0.326 0.000 2.516 98 C HA 0.360 4.814 4.460 -0.010 0.000 0.338 98 C C 0.007 174.713 174.990 -0.472 0.000 1.132 98 C CA -1.167 57.641 59.018 -0.351 0.000 1.310 98 C CB 0.794 28.295 27.740 -0.398 0.000 1.898 98 C HN 0.686 nan 8.230 nan 0.000 0.452 99 Q N 1.334 121.034 119.800 -0.167 0.000 2.315 99 Q HA 0.422 4.756 4.340 -0.010 0.000 0.289 99 Q C 0.731 176.709 176.000 -0.037 0.000 1.044 99 Q CA 0.718 56.491 55.803 -0.050 0.000 0.920 99 Q CB 0.758 29.593 28.738 0.162 0.000 1.214 99 Q HN 0.983 nan 8.270 nan 0.000 0.392 100 G N 1.219 110.046 108.800 0.046 0.000 2.641 100 G HA2 0.422 4.376 3.960 -0.010 0.000 0.239 100 G HA3 0.422 4.376 3.960 -0.010 0.000 0.239 100 G C -0.015 174.898 174.900 0.022 0.000 1.402 100 G CA -0.065 45.082 45.100 0.078 0.000 1.046 100 G HN 0.774 nan 8.290 nan 0.000 0.565 101 A N -1.198 121.574 122.820 -0.081 0.000 2.250 101 A HA 0.406 4.720 4.320 -0.010 0.000 0.208 101 A C 0.383 178.022 177.584 0.092 0.000 1.254 101 A CA 0.481 52.466 52.037 -0.088 0.000 0.858 101 A CB -0.712 18.137 19.000 -0.252 0.000 0.820 101 A HN 0.381 nan 8.150 nan 0.000 0.484 102 L N -2.491 118.868 121.223 0.228 0.000 2.354 102 L HA 0.701 5.035 4.340 -0.010 0.000 0.264 102 L C 0.728 177.736 176.870 0.231 0.000 1.008 102 L CA -0.107 54.905 54.840 0.287 0.000 0.819 102 L CB 1.892 44.197 42.059 0.410 0.000 1.339 102 L HN 0.020 nan 8.230 nan 0.000 0.420 103 G N 0.865 109.806 108.800 0.234 0.000 3.581 103 G HA2 0.165 4.120 3.960 -0.010 0.000 0.255 103 G HA3 0.165 4.120 3.960 -0.010 0.000 0.255 103 G C -0.291 174.793 174.900 0.306 0.000 1.121 103 G CA 0.119 45.379 45.100 0.267 0.000 1.739 103 G HN 0.683 nan 8.290 nan 0.000 0.646 104 D N -0.132 120.381 120.400 0.187 0.000 2.895 104 D HA -0.004 4.630 4.640 -0.010 0.000 0.258 104 D C 1.745 177.883 176.300 -0.270 0.000 1.311 104 D CA 0.107 54.072 54.000 -0.059 0.000 0.843 104 D CB 0.079 40.782 40.800 -0.162 0.000 1.055 104 D HN 0.252 nan 8.370 nan 0.000 0.486 105 S N 0.442 116.133 115.700 -0.014 0.000 2.370 105 S HA -0.209 4.255 4.470 -0.010 0.000 0.226 105 S C 2.016 176.482 174.600 -0.222 0.000 1.033 105 S CA 0.805 58.934 58.200 -0.119 0.000 1.011 105 S CB -1.198 61.892 63.200 -0.184 0.000 0.852 105 S HN 0.610 nan 8.310 nan 0.000 0.457 106 W N 2.282 123.503 121.300 -0.132 0.000 2.302 106 W HA -0.177 4.477 4.660 -0.010 0.000 0.320 106 W C 1.993 178.368 176.519 -0.240 0.000 1.241 106 W CA 1.042 58.280 57.345 -0.177 0.000 1.264 106 W CB -1.521 27.870 29.460 -0.115 0.000 1.154 106 W HN 0.433 nan 8.180 nan 0.000 0.483 107 L N 1.254 121.729 121.223 -1.248 0.000 2.027 107 L HA -0.090 4.244 4.340 -0.010 0.000 0.206 107 L C 2.542 179.050 176.870 -0.603 0.000 1.074 107 L CA 1.772 55.879 54.840 -1.223 0.000 0.745 107 L CB -1.225 39.709 42.059 -1.874 0.000 0.898 107 L HN -0.086 nan 8.230 nan 0.000 0.433 108 L N 0.425 121.343 121.223 -0.509 0.000 2.042 108 L HA -0.150 4.184 4.340 -0.010 0.000 0.210 108 L C 2.738 179.483 176.870 -0.207 0.000 1.076 108 L CA 2.070 56.734 54.840 -0.292 0.000 0.749 108 L CB -1.405 40.513 42.059 -0.235 0.000 0.893 108 L HN 0.414 nan 8.230 nan 0.000 0.432 109 A N -0.902 121.784 122.820 -0.224 0.000 1.908 109 A HA -0.189 4.125 4.320 -0.010 0.000 0.218 109 A C 2.496 180.024 177.584 -0.092 0.000 1.181 109 A CA 1.852 53.795 52.037 -0.158 0.000 0.627 109 A CB -0.982 17.912 19.000 -0.176 0.000 0.818 109 A HN 0.426 nan 8.150 nan 0.000 0.445 110 A N 0.181 122.887 122.820 -0.192 0.000 1.883 110 A HA -0.160 4.154 4.320 -0.010 0.000 0.217 110 A C 2.125 179.834 177.584 0.209 0.000 1.186 110 A CA 1.702 53.678 52.037 -0.101 0.000 0.624 110 A CB -0.694 18.124 19.000 -0.304 0.000 0.822 110 A HN 0.538 nan 8.150 nan 0.000 0.444 111 I N -0.320 120.321 120.570 0.117 0.000 2.226 111 I HA -0.282 3.882 4.170 -0.010 0.000 0.245 111 I C 2.980 179.121 176.117 0.039 0.000 1.100 111 I CA 1.078 62.404 61.300 0.043 0.000 1.374 111 I CB -0.514 37.442 38.000 -0.073 0.000 1.057 111 I HN 0.363 nan 8.210 nan 0.000 0.413 112 A N 1.079 123.905 122.820 0.011 0.000 1.908 112 A HA -0.230 4.085 4.320 -0.010 0.000 0.218 112 A C 2.464 180.072 177.584 0.040 0.000 1.181 112 A CA 2.386 54.430 52.037 0.011 0.000 0.627 112 A CB -0.810 18.171 19.000 -0.032 0.000 0.818 112 A HN 0.551 nan 8.150 nan 0.000 0.445 113 S N -0.846 114.907 115.700 0.088 0.000 2.489 113 S HA 0.019 4.483 4.470 -0.010 0.000 0.228 113 S C 1.674 176.333 174.600 0.098 0.000 0.995 113 S CA 0.922 59.179 58.200 0.095 0.000 0.934 113 S CB -0.364 62.943 63.200 0.178 0.000 0.771 113 S HN 0.381 nan 8.310 nan 0.000 0.522 114 L N 3.301 124.602 121.223 0.130 0.000 2.093 114 L HA -0.022 4.312 4.340 -0.010 0.000 0.208 114 L C 2.372 179.260 176.870 0.030 0.000 1.085 114 L CA 2.210 57.102 54.840 0.087 0.000 0.755 114 L CB -1.255 40.815 42.059 0.019 0.000 0.904 114 L HN 0.553 nan 8.230 nan 0.000 0.435 115 T N -3.290 111.285 114.554 0.036 0.000 3.160 115 T HA -0.016 4.328 4.350 -0.010 0.000 0.257 115 T C 1.740 176.434 174.700 -0.009 0.000 1.147 115 T CA 0.730 62.839 62.100 0.015 0.000 1.064 115 T CB -0.544 68.361 68.868 0.063 0.000 0.949 115 T HN 0.370 nan 8.240 nan 0.000 0.526 116 L N 0.432 121.649 121.223 -0.010 0.000 2.162 116 L HA 0.193 4.527 4.340 -0.010 0.000 0.205 116 L C 1.462 178.314 176.870 -0.030 0.000 1.086 116 L CA 0.299 55.124 54.840 -0.026 0.000 0.778 116 L CB -0.371 41.666 42.059 -0.037 0.000 0.928 116 L HN 0.267 nan 8.230 nan 0.000 0.446 117 N N 0.828 119.513 118.700 -0.025 0.000 2.422 117 N HA -0.003 4.731 4.740 -0.010 0.000 0.264 117 N C 0.575 176.063 175.510 -0.036 0.000 1.063 117 N CA 0.285 53.319 53.050 -0.027 0.000 0.959 117 N CB 1.510 39.986 38.487 -0.018 0.000 1.087 117 N HN 0.159 nan 8.380 nan 0.000 0.483 118 E N 2.334 122.507 120.200 -0.044 0.000 2.016 118 E HA -0.208 4.137 4.350 -0.010 0.000 0.190 118 E C 0.590 177.154 176.600 -0.061 0.000 0.985 118 E CA 1.408 57.772 56.400 -0.060 0.000 0.802 118 E CB 0.134 29.799 29.700 -0.059 0.000 0.762 118 E HN 0.760 nan 8.360 nan 0.000 0.448 119 E N 0.434 120.604 120.200 -0.050 0.000 2.511 119 E HA -0.042 4.302 4.350 -0.010 0.000 0.196 119 E C 1.345 177.914 176.600 -0.051 0.000 1.066 119 E CA 0.480 56.848 56.400 -0.053 0.000 0.871 119 E CB 0.111 29.783 29.700 -0.046 0.000 0.863 119 E HN 0.241 nan 8.360 nan 0.000 0.520 120 I N -0.142 120.405 120.570 -0.037 0.000 3.339 120 I HA 0.034 4.198 4.170 -0.010 0.000 0.285 120 I C 1.781 177.881 176.117 -0.027 0.000 1.201 120 I CA 0.116 61.403 61.300 -0.020 0.000 1.434 120 I CB -0.312 37.703 38.000 0.025 0.000 1.152 120 I HN 0.227 nan 8.210 nan 0.000 0.443 121 L N 2.102 123.299 121.223 -0.043 0.000 2.081 121 L HA -0.182 4.153 4.340 -0.010 0.000 0.212 121 L C 2.655 179.474 176.870 -0.084 0.000 1.080 121 L CA 2.107 56.907 54.840 -0.067 0.000 0.754 121 L CB -0.692 41.313 42.059 -0.090 0.000 0.893 121 L HN 0.223 nan 8.230 nan 0.000 0.433 122 A N -0.318 122.447 122.820 -0.093 0.000 1.882 122 A HA -0.400 3.914 4.320 -0.010 0.000 0.220 122 A C 2.494 180.003 177.584 -0.124 0.000 1.253 122 A CA 2.635 54.608 52.037 -0.108 0.000 0.664 122 A CB -0.961 17.979 19.000 -0.099 0.000 0.838 122 A HN 0.520 nan 8.150 nan 0.000 0.460 123 R N -1.017 119.405 120.500 -0.131 0.000 2.115 123 R HA -0.170 4.164 4.340 -0.010 0.000 0.239 123 R C 2.092 178.316 176.300 -0.127 0.000 1.133 123 R CA 2.332 58.318 56.100 -0.190 0.000 0.935 123 R CB -0.592 29.533 30.300 -0.292 0.000 0.853 123 R HN 0.382 nan 8.270 nan 0.000 0.433 124 V N -0.055 119.842 119.914 -0.029 0.000 2.307 124 V HA -0.099 4.015 4.120 -0.010 0.000 0.245 124 V C 0.837 176.919 176.094 -0.020 0.000 1.045 124 V CA 1.169 63.484 62.300 0.026 0.000 1.024 124 V CB 0.047 31.879 31.823 0.016 0.000 0.651 124 V HN 0.068 nan 8.190 nan 0.000 0.449 125 V N 2.185 122.071 119.914 -0.046 0.000 2.311 125 V HA 0.308 4.422 4.120 -0.010 0.000 0.275 125 V C -2.570 173.414 176.094 -0.184 0.000 1.022 125 V CA -1.752 60.500 62.300 -0.081 0.000 0.830 125 V CB 0.971 32.814 31.823 0.033 0.000 1.012 125 V HN 0.335 nan 8.190 nan 0.000 0.452 126 P HA 0.166 nan 4.420 nan 0.000 0.267 126 P C 0.955 178.150 177.300 -0.175 0.000 1.328 126 P CA 0.103 63.009 63.100 -0.322 0.000 0.990 126 P CB 0.263 31.601 31.700 -0.604 0.000 1.168 127 L N 1.792 122.963 121.223 -0.087 0.000 2.362 127 L HA -0.126 4.208 4.340 -0.010 0.000 0.219 127 L C 1.746 178.632 176.870 0.027 0.000 1.134 127 L CA 1.078 55.924 54.840 0.011 0.000 0.807 127 L CB -0.739 41.285 42.059 -0.059 0.000 0.927 127 L HN 0.312 nan 8.230 nan 0.000 0.447 128 D N -0.633 119.732 120.400 -0.059 0.000 2.349 128 D HA -0.090 4.544 4.640 -0.010 0.000 0.224 128 D C 0.710 176.950 176.300 -0.101 0.000 1.029 128 D CA 0.001 53.969 54.000 -0.054 0.000 0.879 128 D CB -0.077 40.692 40.800 -0.052 0.000 0.906 128 D HN 0.384 nan 8.370 nan 0.000 0.528 129 Q N 0.108 119.758 119.800 -0.249 0.000 2.454 129 Q HA 0.376 4.710 4.340 -0.010 0.000 0.247 129 Q C -0.263 175.550 176.000 -0.312 0.000 1.028 129 Q CA 0.231 55.783 55.803 -0.419 0.000 0.910 129 Q CB 1.103 29.328 28.738 -0.856 0.000 1.276 129 Q HN -0.003 nan 8.270 nan 0.000 0.489 130 S N -0.695 114.856 115.700 -0.248 0.000 2.819 130 S HA 0.524 4.988 4.470 -0.010 0.000 0.299 130 S C -0.928 173.509 174.600 -0.272 0.000 1.192 130 S CA -0.653 57.506 58.200 -0.068 0.000 0.847 130 S CB 0.534 63.742 63.200 0.013 0.000 1.224 130 S HN 0.562 nan 8.310 nan 0.000 0.537 131 F N 0.514 120.451 119.950 -0.021 0.000 2.767 131 F HA 0.336 4.857 4.527 -0.010 0.000 0.323 131 F C 1.687 177.271 175.800 -0.360 0.000 1.091 131 F CA -0.165 57.594 58.000 -0.402 0.000 1.192 131 F CB 0.590 39.403 39.000 -0.312 0.000 1.056 131 F HN 0.301 nan 8.300 nan 0.000 0.571 132 Q N -0.524 119.292 119.800 0.027 0.000 2.391 132 Q HA 0.101 4.436 4.340 -0.010 0.000 0.243 132 Q C 1.291 177.320 176.000 0.048 0.000 0.874 132 Q CA 0.338 56.165 55.803 0.040 0.000 0.950 132 Q CB 0.456 29.232 28.738 0.063 0.000 1.103 132 Q HN 0.056 nan 8.270 nan 0.000 0.544 133 E N 0.808 121.034 120.200 0.043 0.000 4.471 133 E HA 0.063 4.407 4.350 -0.010 0.000 0.438 133 E C -0.344 176.290 176.600 0.056 0.000 1.497 133 E CA -0.023 56.398 56.400 0.035 0.000 2.657 133 E CB 0.041 29.747 29.700 0.010 0.000 1.488 133 E HN 0.040 nan 8.360 nan 0.000 0.743 134 N N 0.654 119.367 118.700 0.022 0.000 2.434 134 N HA 0.015 4.749 4.740 -0.010 0.000 0.273 134 N C -0.963 174.548 175.510 0.001 0.000 1.210 134 N CA 0.271 53.327 53.050 0.010 0.000 0.992 134 N CB -0.319 38.150 38.487 -0.030 0.000 1.355 134 N HN 0.257 nan 8.380 nan 0.000 0.495 135 Y N 1.204 121.444 120.300 -0.100 0.000 2.567 135 Y HA 0.710 5.255 4.550 -0.010 0.000 0.333 135 Y C 0.243 176.083 175.900 -0.100 0.000 1.106 135 Y CA -0.672 57.340 58.100 -0.146 0.000 1.157 135 Y CB 1.417 39.822 38.460 -0.092 0.000 1.277 135 Y HN 0.295 nan 8.280 nan 0.000 0.490 136 A N 1.157 123.310 122.820 -1.113 0.000 2.212 136 A HA 0.488 4.802 4.320 -0.010 0.000 0.169 136 A C 1.090 178.234 177.584 -0.733 0.000 1.802 136 A CA 0.611 52.214 52.037 -0.724 0.000 1.344 136 A CB -0.294 18.523 19.000 -0.306 0.000 1.566 136 A HN 1.826 nan 8.150 nan 0.000 0.419 137 G N -0.753 107.525 108.800 -0.871 0.000 2.421 137 G HA2 -0.046 3.908 3.960 -0.010 0.000 0.188 137 G HA3 -0.046 3.908 3.960 -0.010 0.000 0.188 137 G C 0.065 174.988 174.900 0.038 0.000 1.001 137 G CA 0.092 45.067 45.100 -0.208 0.000 0.693 137 G HN 0.626 nan 8.290 nan 0.000 0.479 138 I N 1.187 121.651 120.570 -0.177 0.000 2.823 138 I HA 0.730 4.895 4.170 -0.010 0.000 0.290 138 I C -0.065 175.984 176.117 -0.114 0.000 1.091 138 I CA -0.188 61.084 61.300 -0.046 0.000 1.365 138 I CB 0.535 38.402 38.000 -0.221 0.000 1.427 138 I HN 0.064 nan 8.210 nan 0.000 0.583 139 F N 3.611 123.731 119.950 0.283 0.000 2.715 139 F HA 0.549 5.070 4.527 -0.010 0.000 0.318 139 F C -0.512 175.519 175.800 0.384 0.000 1.141 139 F CA -0.586 57.623 58.000 0.348 0.000 0.950 139 F CB 1.413 40.577 39.000 0.274 0.000 1.374 139 F HN 0.512 nan 8.300 nan 0.000 0.477 140 H N -0.773 118.292 119.070 -0.007 0.000 3.016 140 H HA 0.705 5.255 4.556 -0.009 0.000 0.362 140 H C -2.113 172.971 175.328 -0.407 0.000 1.233 140 H CA -1.995 53.983 56.048 -0.117 0.000 1.124 140 H CB 1.556 31.114 29.762 -0.340 0.000 1.850 140 H HN 0.471 nan 8.280 nan 0.000 0.549 141 F N -0.297 119.566 119.950 -0.144 0.000 2.645 141 F HA 0.431 4.952 4.527 -0.010 0.000 0.310 141 F C -0.366 175.221 175.800 -0.355 0.000 1.102 141 F CA -0.737 57.069 58.000 -0.324 0.000 0.952 141 F CB 2.597 41.354 39.000 -0.404 0.000 1.326 141 F HN 0.417 nan 8.300 nan 0.000 0.456 142 Q N 1.333 121.039 119.800 -0.157 0.000 2.345 142 Q HA 0.693 5.027 4.340 -0.010 0.000 0.268 142 Q C -1.796 174.249 176.000 0.075 0.000 1.054 142 Q CA -0.876 54.940 55.803 0.020 0.000 0.835 142 Q CB 2.870 31.686 28.738 0.131 0.000 1.339 142 Q HN 0.422 nan 8.270 nan 0.000 0.447 143 F N 0.691 120.957 119.950 0.527 0.000 2.591 143 F HA 0.308 4.829 4.527 -0.010 0.000 0.309 143 F C -0.912 174.944 175.800 0.093 0.000 1.098 143 F CA -1.123 57.117 58.000 0.400 0.000 0.937 143 F CB 1.306 40.430 39.000 0.206 0.000 1.250 143 F HN 0.537 nan 8.300 nan 0.000 0.447 144 W N 5.052 126.171 121.300 -0.302 0.000 2.311 144 W HA 0.403 5.058 4.660 -0.008 0.000 0.310 144 W C -1.453 174.807 176.519 -0.432 0.000 1.274 144 W CA -0.294 56.542 57.345 -0.848 0.000 1.215 144 W CB 1.183 30.056 29.460 -0.979 0.000 1.227 144 W HN 0.425 nan 8.180 nan 0.000 0.523 145 Q N 6.962 126.089 119.800 -1.122 0.000 2.414 145 Q HA 0.061 4.396 4.340 -0.010 0.000 0.256 145 Q C -0.602 174.751 176.000 -1.078 0.000 0.974 145 Q CA -0.860 54.323 55.803 -1.034 0.000 0.723 145 Q CB 0.661 29.058 28.738 -0.568 0.000 1.281 145 Q HN 0.701 nan 8.270 nan 0.000 0.470 146 Y N 0.643 120.471 120.300 -0.787 0.000 3.875 146 Y HA -0.367 4.178 4.550 -0.009 0.000 0.216 146 Y C 1.209 176.732 175.900 -0.629 0.000 1.148 146 Y CA 0.801 58.590 58.100 -0.519 0.000 1.629 146 Y CB -1.613 36.619 38.460 -0.380 0.000 1.506 146 Y HN 0.871 nan 8.280 nan 0.000 0.629 147 G N -1.666 106.367 108.800 -1.278 0.000 2.296 147 G HA2 -0.151 3.803 3.960 -0.010 0.000 0.188 147 G HA3 -0.151 3.803 3.960 -0.010 0.000 0.188 147 G C -0.194 174.193 174.900 -0.854 0.000 1.000 147 G CA -0.104 44.403 45.100 -0.987 0.000 0.672 147 G HN 0.376 nan 8.290 nan 0.000 0.483 148 E N -0.371 119.337 120.200 -0.820 0.000 2.263 148 E HA 0.562 4.907 4.350 -0.010 0.000 0.264 148 E C -1.014 175.337 176.600 -0.414 0.000 0.923 148 E CA -1.243 54.935 56.400 -0.369 0.000 0.802 148 E CB 1.308 30.943 29.700 -0.107 0.000 1.228 148 E HN 0.237 nan 8.360 nan 0.000 0.417 149 W N 0.781 122.108 121.300 0.044 0.000 2.287 149 W HA 0.406 5.059 4.660 -0.010 0.000 0.313 149 W C -0.377 176.199 176.519 0.095 0.000 1.267 149 W CA -0.296 57.128 57.345 0.133 0.000 1.201 149 W CB 1.258 30.833 29.460 0.191 0.000 1.196 149 W HN 0.105 nan 8.180 nan 0.000 0.536 150 V N 3.439 123.572 119.914 0.364 0.000 2.623 150 V HA 0.194 4.309 4.120 -0.010 0.000 0.304 150 V C -0.493 175.774 176.094 0.288 0.000 1.054 150 V CA -1.255 61.205 62.300 0.267 0.000 0.882 150 V CB 1.730 33.657 31.823 0.172 0.000 1.002 150 V HN 0.500 nan 8.190 nan 0.000 0.424 151 E N 4.357 124.708 120.200 0.253 0.000 2.175 151 E HA 0.663 5.007 4.350 -0.010 0.000 0.278 151 E C -1.644 175.109 176.600 0.255 0.000 0.969 151 E CA -0.414 56.112 56.400 0.211 0.000 0.796 151 E CB 1.905 31.714 29.700 0.182 0.000 1.104 151 E HN 0.461 nan 8.360 nan 0.000 0.395 152 V N 4.672 124.725 119.914 0.231 0.000 2.604 152 V HA 0.360 4.474 4.120 -0.010 0.000 0.305 152 V C -0.074 176.208 176.094 0.314 0.000 1.043 152 V CA -0.964 61.503 62.300 0.279 0.000 0.888 152 V CB 1.447 33.395 31.823 0.209 0.000 0.995 152 V HN 0.596 nan 8.190 nan 0.000 0.429 153 V N 3.200 123.302 119.914 0.314 0.000 2.483 153 V HA 0.960 5.074 4.120 -0.010 0.000 0.295 153 V C -0.225 176.047 176.094 0.295 0.000 1.035 153 V CA -0.600 61.896 62.300 0.326 0.000 0.896 153 V CB 1.399 33.377 31.823 0.258 0.000 0.986 153 V HN 0.953 nan 8.190 nan 0.000 0.447 154 V N 1.443 121.575 119.914 0.363 0.000 3.102 154 V HA 0.846 4.961 4.120 -0.010 0.000 0.312 154 V C -0.586 175.746 176.094 0.396 0.000 1.135 154 V CA -0.539 61.960 62.300 0.332 0.000 1.022 154 V CB 1.863 33.856 31.823 0.283 0.000 1.056 154 V HN 1.136 nan 8.190 nan 0.000 0.436 155 D N 0.388 121.004 120.400 0.360 0.000 2.294 155 D HA 0.310 4.944 4.640 -0.010 0.000 0.250 155 D C 0.548 177.097 176.300 0.415 0.000 1.058 155 D CA -0.094 54.122 54.000 0.360 0.000 0.950 155 D CB 1.249 42.206 40.800 0.261 0.000 1.158 155 D HN 0.741 nan 8.370 nan 0.000 0.453 156 D N 0.689 121.365 120.400 0.459 0.000 2.363 156 D HA -0.117 4.517 4.640 -0.010 0.000 0.226 156 D C -0.053 176.459 176.300 0.353 0.000 1.020 156 D CA -0.068 54.193 54.000 0.435 0.000 0.892 156 D CB -0.137 41.029 40.800 0.611 0.000 0.900 156 D HN 0.330 nan 8.370 nan 0.000 0.531 157 R N 0.325 121.037 120.500 0.353 0.000 2.442 157 R HA 0.502 4.837 4.340 -0.010 0.000 0.291 157 R C -0.197 176.463 176.300 0.599 0.000 1.069 157 R CA -0.090 56.250 56.100 0.399 0.000 1.022 157 R CB 0.925 31.424 30.300 0.332 0.000 0.976 157 R HN 0.111 nan 8.270 nan 0.000 0.443 158 L N 4.362 125.921 121.223 0.559 0.000 2.371 158 L HA 0.463 4.798 4.340 -0.010 0.000 0.262 158 L C -2.233 174.747 176.870 0.183 0.000 1.006 158 L CA -2.644 52.502 54.840 0.511 0.000 0.818 158 L CB 2.607 44.889 42.059 0.371 0.000 1.354 158 L HN 0.428 nan 8.230 nan 0.000 0.415 159 P HA 0.080 nan 4.420 nan 0.000 0.269 159 P C -0.837 176.299 177.300 -0.273 0.000 1.252 159 P CA -0.005 62.784 63.100 -0.518 0.000 0.780 159 P CB 0.279 31.667 31.700 -0.520 0.000 0.829 160 T N 0.809 115.221 114.554 -0.236 0.000 2.893 160 T HA 0.601 4.946 4.350 -0.010 0.000 0.291 160 T C -0.776 173.809 174.700 -0.192 0.000 1.028 160 T CA -0.957 61.038 62.100 -0.174 0.000 0.995 160 T CB 2.455 71.285 68.868 -0.063 0.000 1.051 160 T HN 0.232 nan 8.240 nan 0.000 0.470 161 K N 1.676 121.960 120.400 -0.194 0.000 2.371 161 K HA 0.523 4.837 4.320 -0.010 0.000 0.251 161 K C -0.707 175.814 176.600 -0.132 0.000 0.934 161 K CA -0.481 55.706 56.287 -0.167 0.000 0.798 161 K CB 1.117 33.497 32.500 -0.200 0.000 1.204 161 K HN 0.884 nan 8.250 nan 0.000 0.427 162 D N 0.956 121.296 120.400 -0.100 0.000 3.364 162 D HA -0.262 4.372 4.640 -0.010 0.000 0.237 162 D C 1.039 177.297 176.300 -0.070 0.000 1.750 162 D CA 1.450 55.403 54.000 -0.080 0.000 1.121 162 D CB -1.046 39.702 40.800 -0.088 0.000 0.767 162 D HN 0.756 nan 8.370 nan 0.000 0.926 163 G N 0.326 109.088 108.800 -0.065 0.000 2.604 163 G HA2 -0.173 3.781 3.960 -0.010 0.000 0.216 163 G HA3 -0.173 3.781 3.960 -0.010 0.000 0.216 163 G C 0.528 175.390 174.900 -0.063 0.000 1.265 163 G CA 1.370 46.439 45.100 -0.053 0.000 0.804 163 G HN 0.564 nan 8.290 nan 0.000 0.579 164 E N -0.422 119.719 120.200 -0.099 0.000 2.416 164 E HA 0.323 4.667 4.350 -0.010 0.000 0.254 164 E C -0.139 176.375 176.600 -0.143 0.000 1.241 164 E CA -0.572 55.750 56.400 -0.130 0.000 0.969 164 E CB 0.814 30.399 29.700 -0.191 0.000 0.999 164 E HN 0.097 nan 8.360 nan 0.000 0.481 165 L N 1.174 122.300 121.223 -0.160 0.000 2.453 165 L HA -0.024 4.311 4.340 -0.010 0.000 0.261 165 L C 0.934 177.669 176.870 -0.225 0.000 1.179 165 L CA 0.088 54.851 54.840 -0.128 0.000 0.813 165 L CB 0.534 42.574 42.059 -0.031 0.000 1.110 165 L HN 0.497 nan 8.230 nan 0.000 0.466 166 L N 1.275 122.342 121.223 -0.260 0.000 2.435 166 L HA 0.319 4.653 4.340 -0.010 0.000 0.195 166 L C -0.195 176.383 176.870 -0.488 0.000 1.072 166 L CA 0.814 55.367 54.840 -0.479 0.000 0.833 166 L CB 0.231 41.838 42.059 -0.754 0.000 1.081 166 L HN 0.236 nan 8.230 nan 0.000 0.485 167 F N -0.038 119.859 119.950 -0.088 0.000 2.404 167 F HA 0.513 5.034 4.527 -0.010 0.000 0.354 167 F C 0.481 176.311 175.800 0.050 0.000 1.122 167 F CA -0.887 57.097 58.000 -0.027 0.000 1.080 167 F CB 0.797 39.742 39.000 -0.091 0.000 1.131 167 F HN -0.216 nan 8.300 nan 0.000 0.471 168 V N 3.191 123.222 119.914 0.195 0.000 3.811 168 V HA -0.212 3.902 4.120 -0.010 0.000 0.542 168 V C -0.913 175.190 176.094 0.015 0.000 0.683 168 V CA 1.315 63.611 62.300 -0.007 0.000 2.107 168 V CB -0.374 31.424 31.823 -0.042 0.000 2.499 168 V HN 1.229 nan 8.190 nan 0.000 0.521 169 H N 2.073 121.071 119.070 -0.119 0.000 3.005 169 H HA 0.705 5.256 4.556 -0.009 0.000 0.311 169 H C -0.535 174.677 175.328 -0.193 0.000 1.366 169 H CA -0.121 55.829 56.048 -0.163 0.000 1.210 169 H CB 0.996 30.675 29.762 -0.138 0.000 1.894 169 H HN 0.860 nan 8.280 nan 0.000 0.520 170 S N -0.445 115.179 115.700 -0.127 0.000 2.655 170 S HA 0.551 5.016 4.470 -0.010 0.000 0.265 170 S C 1.568 176.146 174.600 -0.038 0.000 1.240 170 S CA -0.057 58.057 58.200 -0.143 0.000 0.986 170 S CB 0.646 63.747 63.200 -0.166 0.000 0.985 170 S HN 0.930 nan 8.310 nan 0.000 0.562 171 A N 1.133 123.936 122.820 -0.028 0.000 1.883 171 A HA -0.054 4.261 4.320 -0.010 0.000 0.217 171 A C 1.845 179.427 177.584 -0.003 0.000 1.186 171 A CA 1.601 53.640 52.037 0.003 0.000 0.624 171 A CB -0.579 18.429 19.000 0.014 0.000 0.822 171 A HN 0.886 nan 8.150 nan 0.000 0.444 172 E N -1.968 118.219 120.200 -0.021 0.000 2.498 172 E HA 0.284 4.628 4.350 -0.010 0.000 0.203 172 E C 0.995 177.552 176.600 -0.071 0.000 1.013 172 E CA 0.391 56.773 56.400 -0.030 0.000 0.927 172 E CB 0.093 29.788 29.700 -0.010 0.000 1.012 172 E HN 0.711 nan 8.360 nan 0.000 0.482 173 G N 1.585 110.308 108.800 -0.129 0.000 2.184 173 G HA2 -0.329 3.626 3.960 -0.010 0.000 0.264 173 G HA3 -0.329 3.626 3.960 -0.010 0.000 0.264 173 G C 0.722 175.456 174.900 -0.277 0.000 0.975 173 G CA 0.859 45.843 45.100 -0.194 0.000 0.642 173 G HN 0.427 nan 8.290 nan 0.000 0.536 174 S N -1.197 114.351 115.700 -0.253 0.000 2.937 174 S HA 0.510 4.974 4.470 -0.010 0.000 0.252 174 S C -0.080 174.423 174.600 -0.162 0.000 1.022 174 S CA 0.483 58.565 58.200 -0.197 0.000 1.079 174 S CB 0.872 64.094 63.200 0.036 0.000 1.035 174 S HN 0.584 nan 8.310 nan 0.000 0.594 175 E N 0.240 120.267 120.200 -0.287 0.000 2.216 175 E HA 0.546 4.890 4.350 -0.010 0.000 0.279 175 E C -0.847 175.554 176.600 -0.331 0.000 0.997 175 E CA -0.658 55.701 56.400 -0.067 0.000 0.817 175 E CB 0.735 30.471 29.700 0.060 0.000 1.096 175 E HN 0.359 nan 8.360 nan 0.000 0.393 176 F N 2.945 122.989 119.950 0.156 0.000 2.831 176 F HA 0.082 4.603 4.527 -0.009 0.000 0.334 176 F C 1.409 177.199 175.800 -0.017 0.000 1.071 176 F CA -0.681 57.376 58.000 0.096 0.000 1.172 176 F CB 0.091 39.232 39.000 0.236 0.000 1.054 176 F HN 0.646 nan 8.300 nan 0.000 0.572 177 W N 1.201 122.410 121.300 -0.151 0.000 2.317 177 W HA -0.253 4.401 4.660 -0.010 0.000 0.318 177 W C 2.107 178.605 176.519 -0.035 0.000 1.227 177 W CA 1.768 58.866 57.345 -0.411 0.000 1.269 177 W CB -1.876 26.988 29.460 -0.993 0.000 1.155 177 W HN 0.167 nan 8.180 nan 0.000 0.484 178 S N 1.805 116.771 115.700 -1.224 0.000 2.400 178 S HA -0.072 4.392 4.470 -0.010 0.000 0.232 178 S C 2.162 176.506 174.600 -0.428 0.000 1.025 178 S CA 1.939 59.487 58.200 -1.086 0.000 0.993 178 S CB -0.939 61.387 63.200 -1.456 0.000 0.808 178 S HN 0.393 nan 8.310 nan 0.000 0.478 179 A N 1.714 124.398 122.820 -0.227 0.000 1.968 179 A HA 0.270 4.584 4.320 -0.010 0.000 0.217 179 A C 2.304 179.954 177.584 0.110 0.000 1.169 179 A CA 1.103 53.149 52.037 0.015 0.000 0.638 179 A CB -0.650 18.436 19.000 0.143 0.000 0.812 179 A HN 0.559 nan 8.150 nan 0.000 0.446 180 L N -1.020 120.283 121.223 0.133 0.000 2.109 180 L HA -0.095 4.239 4.340 -0.010 0.000 0.207 180 L C 2.501 179.294 176.870 -0.130 0.000 1.086 180 L CA 0.841 55.792 54.840 0.184 0.000 0.760 180 L CB -0.579 41.690 42.059 0.348 0.000 0.910 180 L HN 0.448 nan 8.230 nan 0.000 0.437 181 L N 0.423 121.383 121.223 -0.438 0.000 2.012 181 L HA -0.248 4.087 4.340 -0.010 0.000 0.210 181 L C 2.460 179.135 176.870 -0.326 0.000 1.073 181 L CA 1.873 56.159 54.840 -0.924 0.000 0.748 181 L CB -0.616 41.129 42.059 -0.523 0.000 0.891 181 L HN 0.267 nan 8.230 nan 0.000 0.431 182 E N -0.452 119.648 120.200 -0.167 0.000 2.058 182 E HA -0.323 4.022 4.350 -0.010 0.000 0.194 182 E C 2.280 178.814 176.600 -0.110 0.000 0.997 182 E CA 1.699 58.054 56.400 -0.075 0.000 0.801 182 E CB -0.162 29.550 29.700 0.020 0.000 0.746 182 E HN 0.525 nan 8.360 nan 0.000 0.450 183 K N -0.191 120.186 120.400 -0.038 0.000 2.097 183 K HA -0.131 4.183 4.320 -0.010 0.000 0.206 183 K C 1.983 178.445 176.600 -0.231 0.000 1.049 183 K CA 1.008 57.245 56.287 -0.084 0.000 0.933 183 K CB -0.115 32.531 32.500 0.243 0.000 0.717 183 K HN 0.145 nan 8.250 nan 0.000 0.442 184 A N -0.010 122.725 122.820 -0.142 0.000 1.969 184 A HA -0.179 4.135 4.320 -0.010 0.000 0.218 184 A C 1.918 179.500 177.584 -0.004 0.000 1.169 184 A CA 1.115 53.129 52.037 -0.039 0.000 0.635 184 A CB -0.623 18.381 19.000 0.007 0.000 0.810 184 A HN 0.508 nan 8.150 nan 0.000 0.445 185 Y N 0.051 120.229 120.300 -0.203 0.000 2.395 185 Y HA 0.159 4.704 4.550 -0.009 0.000 0.293 185 Y C 2.552 178.231 175.900 -0.369 0.000 1.123 185 Y CA 0.461 58.309 58.100 -0.421 0.000 1.227 185 Y CB -0.230 37.979 38.460 -0.418 0.000 1.012 185 Y HN 0.311 nan 8.280 nan 0.000 0.552 186 A N 0.128 122.722 122.820 -0.376 0.000 1.930 186 A HA -0.165 4.149 4.320 -0.010 0.000 0.217 186 A C 2.256 179.635 177.584 -0.342 0.000 1.175 186 A CA 1.651 53.447 52.037 -0.403 0.000 0.627 186 A CB -0.611 17.987 19.000 -0.669 0.000 0.815 186 A HN 0.440 nan 8.150 nan 0.000 0.443 187 K N -0.490 119.568 120.400 -0.570 0.000 2.063 187 K HA -0.117 4.197 4.320 -0.010 0.000 0.208 187 K C 1.713 178.157 176.600 -0.259 0.000 1.048 187 K CA 1.520 57.413 56.287 -0.656 0.000 0.928 187 K CB -0.217 31.700 32.500 -0.972 0.000 0.713 187 K HN 0.338 nan 8.250 nan 0.000 0.442 188 I N 1.953 122.281 120.570 -0.404 0.000 2.756 188 I HA -0.163 4.002 4.170 -0.010 0.000 0.262 188 I C 0.673 176.627 176.117 -0.271 0.000 1.225 188 I CA 1.226 62.266 61.300 -0.434 0.000 1.472 188 I CB -0.504 37.095 38.000 -0.669 0.000 1.094 188 I HN 0.279 nan 8.210 nan 0.000 0.454 189 N N 0.137 118.669 118.700 -0.279 0.000 2.204 189 N HA 0.130 4.864 4.740 -0.010 0.000 0.219 189 N C 1.376 176.883 175.510 -0.006 0.000 1.151 189 N CA 0.811 53.770 53.050 -0.152 0.000 0.867 189 N CB 1.259 39.611 38.487 -0.224 0.000 1.043 189 N HN 0.422 nan 8.380 nan 0.000 0.516 190 G N 1.027 109.862 108.800 0.058 0.000 2.454 190 G HA2 -0.319 3.636 3.960 -0.010 0.000 0.225 190 G HA3 -0.319 3.636 3.960 -0.010 0.000 0.225 190 G C 0.296 175.341 174.900 0.241 0.000 1.138 190 G CA 0.387 45.576 45.100 0.149 0.000 0.667 190 G HN 0.618 nan 8.290 nan 0.000 0.512 191 C N -3.822 115.599 119.300 0.201 0.000 3.231 191 C HA 0.675 5.130 4.460 -0.010 0.000 0.343 191 C C 0.964 176.024 174.990 0.117 0.000 1.349 191 C CA -0.539 58.625 59.018 0.243 0.000 1.209 191 C CB -0.078 27.835 27.740 0.288 0.000 1.475 191 C HN 0.460 nan 8.230 nan 0.000 0.460 192 Y N 0.675 121.022 120.300 0.078 0.000 2.030 192 Y HA -0.143 4.401 4.550 -0.010 0.000 0.274 192 Y C 2.656 178.521 175.900 -0.058 0.000 1.153 192 Y CA 2.634 60.655 58.100 -0.132 0.000 1.115 192 Y CB -0.196 37.957 38.460 -0.512 0.000 0.969 192 Y HN 0.899 nan 8.280 nan 0.000 0.488 193 E N -0.038 120.238 120.200 0.126 0.000 2.233 193 E HA -0.288 4.057 4.350 -0.010 0.000 0.199 193 E C 2.153 178.875 176.600 0.203 0.000 1.004 193 E CA 0.873 57.312 56.400 0.065 0.000 0.819 193 E CB -0.229 29.332 29.700 -0.232 0.000 0.738 193 E HN 0.488 nan 8.360 nan 0.000 0.478 194 A N 0.563 123.565 122.820 0.302 0.000 2.067 194 A HA -0.086 4.228 4.320 -0.010 0.000 0.219 194 A C 1.955 179.687 177.584 0.247 0.000 1.158 194 A CA 0.605 52.825 52.037 0.305 0.000 0.661 194 A CB -0.352 18.789 19.000 0.235 0.000 0.801 194 A HN 0.272 nan 8.150 nan 0.000 0.452 195 L N 0.422 121.794 121.223 0.248 0.000 2.622 195 L HA 0.016 4.351 4.340 -0.010 0.000 0.233 195 L C 1.269 178.437 176.870 0.498 0.000 1.156 195 L CA 0.247 55.322 54.840 0.392 0.000 0.866 195 L CB -0.453 41.752 42.059 0.242 0.000 0.980 195 L HN 0.367 nan 8.230 nan 0.000 0.448 196 S N 1.319 117.218 115.700 0.332 0.000 2.437 196 S HA 0.417 4.882 4.470 -0.010 0.000 0.304 196 S C 0.657 175.414 174.600 0.262 0.000 1.167 196 S CA 0.268 58.644 58.200 0.294 0.000 1.106 196 S CB -0.602 62.721 63.200 0.206 0.000 1.099 196 S HN 0.584 nan 8.310 nan 0.000 0.524 197 G N 2.920 111.938 108.800 0.363 0.000 2.750 197 G HA2 0.390 4.345 3.960 -0.010 0.000 0.686 197 G HA3 0.390 4.345 3.960 -0.010 0.000 0.686 197 G C 0.126 174.781 174.900 -0.409 0.000 1.395 197 G CA -0.506 44.670 45.100 0.127 0.000 0.918 197 G HN 1.977 nan 8.290 nan 0.000 0.594 198 G N -0.594 107.836 108.800 -0.616 0.000 2.344 198 G HA2 0.785 4.739 3.960 -0.010 0.000 0.282 198 G HA3 0.785 4.739 3.960 -0.010 0.000 0.282 198 G C -0.265 174.367 174.900 -0.447 0.000 1.281 198 G CA 0.828 45.443 45.100 -0.808 0.000 0.877 198 G HN 2.545 nan 8.290 nan 0.000 0.494 199 A N -0.788 121.836 122.820 -0.328 0.000 2.312 199 A HA 0.719 5.033 4.320 -0.010 0.000 0.328 199 A C 1.346 178.979 177.584 0.082 0.000 1.158 199 A CA 0.794 52.830 52.037 -0.002 0.000 0.821 199 A CB 0.890 20.016 19.000 0.210 0.000 1.170 199 A HN 1.200 nan 8.150 nan 0.000 0.490 200 T N 0.824 115.395 114.554 0.028 0.000 2.788 200 T HA -0.170 4.174 4.350 -0.010 0.000 0.268 200 T C 2.047 176.502 174.700 -0.407 0.000 1.044 200 T CA 2.337 64.302 62.100 -0.225 0.000 1.139 200 T CB -0.581 68.027 68.868 -0.433 0.000 0.867 200 T HN 0.998 nan 8.240 nan 0.000 0.454 201 T N 0.974 115.524 114.554 -0.007 0.000 2.929 201 T HA -0.105 4.239 4.350 -0.010 0.000 0.271 201 T C 1.671 176.467 174.700 0.160 0.000 1.085 201 T CA 1.120 63.384 62.100 0.273 0.000 1.125 201 T CB -0.407 68.800 68.868 0.565 0.000 0.874 201 T HN 0.494 nan 8.240 nan 0.000 0.494 202 E N 1.221 121.486 120.200 0.108 0.000 2.058 202 E HA -0.060 4.285 4.350 -0.010 0.000 0.194 202 E C 2.573 179.201 176.600 0.047 0.000 0.997 202 E CA 1.111 57.568 56.400 0.095 0.000 0.801 202 E CB -0.685 29.015 29.700 -0.001 0.000 0.746 202 E HN 0.696 nan 8.360 nan 0.000 0.450 203 G N 0.944 109.732 108.800 -0.020 0.000 2.433 203 G HA2 -0.247 3.708 3.960 -0.010 0.000 0.216 203 G HA3 -0.247 3.708 3.960 -0.010 0.000 0.216 203 G C 1.227 175.802 174.900 -0.542 0.000 1.186 203 G CA 0.662 45.461 45.100 -0.501 0.000 0.779 203 G HN 0.095 nan 8.290 nan 0.000 0.543 204 F N 1.535 121.406 119.950 -0.131 0.000 2.087 204 F HA -0.097 4.425 4.527 -0.009 0.000 0.299 204 F C 2.791 178.556 175.800 -0.058 0.000 1.100 204 F CA 1.556 59.544 58.000 -0.019 0.000 1.226 204 F CB -0.748 38.269 39.000 0.029 0.000 0.983 204 F HN 0.270 nan 8.300 nan 0.000 0.479 205 E N -0.554 119.709 120.200 0.105 0.000 2.158 205 E HA -0.157 4.187 4.350 -0.010 0.000 0.191 205 E C 1.554 178.128 176.600 -0.045 0.000 0.982 205 E CA 1.053 57.432 56.400 -0.035 0.000 0.823 205 E CB -0.260 29.453 29.700 0.022 0.000 0.766 205 E HN 0.317 nan 8.360 nan 0.000 0.468 206 D N -0.169 120.225 120.400 -0.009 0.000 2.350 206 D HA -0.105 4.529 4.640 -0.010 0.000 0.216 206 D C 0.890 177.283 176.300 0.156 0.000 0.968 206 D CA 0.777 54.799 54.000 0.037 0.000 0.894 206 D CB 0.028 40.712 40.800 -0.193 0.000 0.909 206 D HN 0.141 nan 8.370 nan 0.000 0.520 207 F N -0.737 119.362 119.950 0.249 0.000 2.731 207 F HA 0.161 4.682 4.527 -0.010 0.000 0.298 207 F C 2.129 178.187 175.800 0.429 0.000 1.106 207 F CA 0.452 58.668 58.000 0.360 0.000 1.329 207 F CB -0.195 38.975 39.000 0.282 0.000 1.100 207 F HN -0.037 nan 8.300 nan 0.000 0.592 208 T N -5.498 109.261 114.554 0.342 0.000 3.048 208 T HA 0.383 4.727 4.350 -0.010 0.000 0.254 208 T C 1.673 176.318 174.700 -0.091 0.000 0.942 208 T CA 0.568 62.811 62.100 0.238 0.000 0.931 208 T CB 0.235 69.162 68.868 0.097 0.000 1.220 208 T HN 0.220 nan 8.240 nan 0.000 0.503 209 G N 1.448 109.777 108.800 -0.786 0.000 2.176 209 G HA2 0.042 3.996 3.960 -0.010 0.000 0.252 209 G HA3 0.042 3.996 3.960 -0.010 0.000 0.252 209 G C 0.435 174.791 174.900 -0.906 0.000 1.024 209 G CA 0.092 44.053 45.100 -1.898 0.000 0.755 209 G HN 1.046 nan 8.290 nan 0.000 0.507 210 G N -1.067 107.443 108.800 -0.484 0.000 2.535 210 G HA2 0.648 4.602 3.960 -0.010 0.000 0.303 210 G HA3 0.648 4.602 3.960 -0.010 0.000 0.303 210 G C 0.065 174.840 174.900 -0.209 0.000 1.237 210 G CA -0.903 44.031 45.100 -0.276 0.000 0.986 210 G HN 0.491 nan 8.290 nan 0.000 0.494 211 I N 1.177 121.622 120.570 -0.209 0.000 2.330 211 I HA 0.356 4.520 4.170 -0.010 0.000 0.286 211 I C 0.530 176.593 176.117 -0.090 0.000 1.025 211 I CA -1.018 60.172 61.300 -0.183 0.000 1.197 211 I CB 0.582 38.375 38.000 -0.344 0.000 1.358 211 I HN 0.426 nan 8.210 nan 0.000 0.467 212 A N 6.612 129.438 122.820 0.011 0.000 2.343 212 A HA 0.358 4.673 4.320 -0.010 0.000 0.305 212 A C 0.329 178.021 177.584 0.180 0.000 1.308 212 A CA -0.375 51.753 52.037 0.152 0.000 0.949 212 A CB -0.065 19.117 19.000 0.304 0.000 1.148 212 A HN 0.727 nan 8.150 nan 0.000 0.545 213 E N 1.372 121.666 120.200 0.156 0.000 2.249 213 E HA 0.375 4.719 4.350 -0.010 0.000 0.280 213 E C -1.159 175.604 176.600 0.271 0.000 1.016 213 E CA -0.204 56.252 56.400 0.093 0.000 0.830 213 E CB 1.074 30.760 29.700 -0.022 0.000 1.081 213 E HN 0.721 nan 8.360 nan 0.000 0.395 214 W N 1.639 122.742 121.300 -0.328 0.000 2.736 214 W HA 0.444 5.099 4.660 -0.009 0.000 0.355 214 W C -0.965 175.244 176.519 -0.518 0.000 1.102 214 W CA -0.454 56.752 57.345 -0.231 0.000 1.164 214 W CB 0.810 30.199 29.460 -0.118 0.000 1.422 214 W HN 0.408 nan 8.180 nan 0.000 0.572 215 Y N 0.419 120.828 120.300 0.181 0.000 2.323 215 Y HA 0.166 4.712 4.550 -0.007 0.000 0.322 215 Y C -0.043 175.902 175.900 0.076 0.000 1.133 215 Y CA -1.243 56.920 58.100 0.104 0.000 1.093 215 Y CB 1.520 40.019 38.460 0.066 0.000 1.203 215 Y HN 0.231 nan 8.280 nan 0.000 0.427 216 E N 3.913 124.234 120.200 0.202 0.000 2.351 216 E HA 0.125 4.469 4.350 -0.010 0.000 0.266 216 E C 0.249 176.909 176.600 0.099 0.000 1.031 216 E CA 0.045 56.519 56.400 0.124 0.000 0.911 216 E CB 0.760 30.514 29.700 0.090 0.000 0.986 216 E HN 0.695 nan 8.360 nan 0.000 0.446 217 L N 3.776 125.019 121.223 0.034 0.000 2.645 217 L HA 0.011 4.345 4.340 -0.010 0.000 0.235 217 L C 1.796 178.638 176.870 -0.048 0.000 1.150 217 L CA 0.387 55.211 54.840 -0.027 0.000 0.911 217 L CB -0.226 41.756 42.059 -0.128 0.000 1.077 217 L HN 0.380 nan 8.230 nan 0.000 0.438 218 R N 0.230 120.722 120.500 -0.014 0.000 2.189 218 R HA 0.056 4.390 4.340 -0.010 0.000 0.203 218 R C 0.470 176.772 176.300 0.004 0.000 1.012 218 R CA 0.595 56.684 56.100 -0.018 0.000 1.015 218 R CB 0.269 30.563 30.300 -0.011 0.000 0.938 218 R HN 0.184 nan 8.270 nan 0.000 0.472 219 K N 1.316 121.736 120.400 0.034 0.000 3.163 219 K HA 0.261 4.575 4.320 -0.010 0.000 0.186 219 K C -2.517 174.135 176.600 0.085 0.000 1.111 219 K CA -1.310 55.007 56.287 0.051 0.000 0.918 219 K CB 1.359 33.890 32.500 0.052 0.000 1.059 219 K HN 0.000 nan 8.250 nan 0.000 0.558 220 P HA 0.093 nan 4.420 nan 0.000 0.269 220 P C -2.331 175.035 177.300 0.110 0.000 1.215 220 P CA -0.725 62.438 63.100 0.105 0.000 0.780 220 P CB -0.123 31.634 31.700 0.096 0.000 0.898 221 P HA 0.275 nan 4.420 nan 0.000 0.278 221 P C -2.088 175.259 177.300 0.078 0.000 1.258 221 P CA -1.748 61.415 63.100 0.105 0.000 0.811 221 P CB -0.404 31.381 31.700 0.142 0.000 1.063 222 P HA -0.170 nan 4.420 nan 0.000 0.210 222 P C 0.471 177.805 177.300 0.057 0.000 1.185 222 P CA 1.674 64.808 63.100 0.057 0.000 0.924 222 P CB -0.532 31.192 31.700 0.040 0.000 0.786 223 N N -0.208 118.511 118.700 0.031 0.000 2.484 223 N HA 0.025 4.760 4.740 -0.010 0.000 0.245 223 N C 1.036 176.531 175.510 -0.025 0.000 1.184 223 N CA -0.115 52.941 53.050 0.011 0.000 0.884 223 N CB -1.016 37.469 38.487 -0.002 0.000 1.182 223 N HN -0.012 nan 8.380 nan 0.000 0.493 224 L N -0.214 121.013 121.223 0.006 0.000 1.990 224 L HA -0.084 4.250 4.340 -0.010 0.000 0.213 224 L C 1.809 178.585 176.870 -0.156 0.000 1.072 224 L CA 1.649 56.458 54.840 -0.052 0.000 0.755 224 L CB -0.778 41.363 42.059 0.138 0.000 0.889 224 L HN 0.318 nan 8.230 nan 0.000 0.432 225 F N 0.213 119.942 119.950 -0.369 0.000 2.126 225 F HA -0.251 4.272 4.527 -0.008 0.000 0.299 225 F C 2.336 177.883 175.800 -0.423 0.000 1.096 225 F CA 1.883 59.432 58.000 -0.751 0.000 1.255 225 F CB -0.102 38.295 39.000 -1.004 0.000 0.997 225 F HN 0.057 nan 8.300 nan 0.000 0.479 226 K N -0.098 120.256 120.400 -0.077 0.000 2.365 226 K HA -0.052 4.262 4.320 -0.010 0.000 0.199 226 K C 1.904 178.411 176.600 -0.155 0.000 1.045 226 K CA 1.034 57.275 56.287 -0.077 0.000 0.962 226 K CB -0.087 32.403 32.500 -0.016 0.000 0.759 226 K HN 0.335 nan 8.250 nan 0.000 0.469 227 I N 0.879 121.332 120.570 -0.194 0.000 2.193 227 I HA -0.269 3.895 4.170 -0.010 0.000 0.240 227 I C 1.844 177.809 176.117 -0.254 0.000 1.084 227 I CA 0.800 61.983 61.300 -0.195 0.000 1.365 227 I CB -0.165 37.709 38.000 -0.210 0.000 1.064 227 I HN 0.064 nan 8.210 nan 0.000 0.410 228 I N 0.539 120.887 120.570 -0.371 0.000 2.113 228 I HA -0.417 3.748 4.170 -0.010 0.000 0.242 228 I C 2.513 178.412 176.117 -0.363 0.000 1.057 228 I CA 2.009 63.055 61.300 -0.423 0.000 1.314 228 I CB -1.585 36.007 38.000 -0.679 0.000 1.022 228 I HN 0.433 nan 8.210 nan 0.000 0.408 229 Q N 0.251 119.820 119.800 -0.386 0.000 2.050 229 Q HA -0.246 4.088 4.340 -0.010 0.000 0.202 229 Q C 2.287 178.196 176.000 -0.150 0.000 0.980 229 Q CA 1.874 57.530 55.803 -0.245 0.000 0.840 229 Q CB -0.090 28.539 28.738 -0.183 0.000 0.898 229 Q HN 0.298 nan 8.270 nan 0.000 0.424 230 K N 0.662 120.984 120.400 -0.131 0.000 1.991 230 K HA -0.195 4.119 4.320 -0.010 0.000 0.212 230 K C 1.825 178.374 176.600 -0.086 0.000 1.049 230 K CA 1.619 57.857 56.287 -0.081 0.000 0.932 230 K CB -0.604 31.856 32.500 -0.067 0.000 0.717 230 K HN 0.226 nan 8.250 nan 0.000 0.441 231 A N 0.611 123.359 122.820 -0.120 0.000 1.859 231 A HA -0.214 4.100 4.320 -0.010 0.000 0.217 231 A C 2.305 179.818 177.584 -0.119 0.000 1.198 231 A CA 2.129 54.093 52.037 -0.122 0.000 0.629 231 A CB -1.074 17.836 19.000 -0.150 0.000 0.830 231 A HN 0.335 nan 8.150 nan 0.000 0.446 232 L N -0.778 120.360 121.223 -0.142 0.000 2.013 232 L HA -0.278 4.056 4.340 -0.010 0.000 0.212 232 L C 2.695 179.515 176.870 -0.084 0.000 1.073 232 L CA 2.141 56.906 54.840 -0.126 0.000 0.753 232 L CB -0.557 41.414 42.059 -0.147 0.000 0.890 232 L HN 0.511 nan 8.230 nan 0.000 0.432 233 E N -0.196 119.962 120.200 -0.070 0.000 2.038 233 E HA -0.276 4.068 4.350 -0.010 0.000 0.195 233 E C 2.001 178.590 176.600 -0.018 0.000 1.000 233 E CA 1.322 57.700 56.400 -0.038 0.000 0.803 233 E CB -0.082 29.602 29.700 -0.027 0.000 0.750 233 E HN 0.330 nan 8.360 nan 0.000 0.448 234 K N -0.286 120.108 120.400 -0.011 0.000 2.585 234 K HA -0.055 4.260 4.320 -0.010 0.000 0.194 234 K C 0.645 177.248 176.600 0.004 0.000 1.037 234 K CA 0.425 56.728 56.287 0.028 0.000 0.964 234 K CB -0.125 32.387 32.500 0.021 0.000 0.787 234 K HN 0.310 nan 8.250 nan 0.000 0.488 235 G N 1.272 110.054 108.800 -0.029 0.000 2.273 235 G HA2 -0.266 3.688 3.960 -0.010 0.000 0.280 235 G HA3 -0.266 3.688 3.960 -0.010 0.000 0.280 235 G C -0.052 174.809 174.900 -0.065 0.000 1.047 235 G CA 0.426 45.502 45.100 -0.041 0.000 0.869 235 G HN 0.291 nan 8.290 nan 0.000 0.502 236 S N -1.112 114.528 115.700 -0.101 0.000 2.671 236 S HA 0.789 5.254 4.470 -0.010 0.000 0.272 236 S C 0.615 175.084 174.600 -0.218 0.000 1.174 236 S CA -0.527 57.582 58.200 -0.152 0.000 1.004 236 S CB 0.938 64.043 63.200 -0.160 0.000 1.077 236 S HN 0.426 nan 8.310 nan 0.000 0.553 237 L N 1.330 122.331 121.223 -0.370 0.000 2.346 237 L HA 0.631 4.965 4.340 -0.010 0.000 0.274 237 L C -1.433 174.950 176.870 -0.811 0.000 1.007 237 L CA -0.705 53.767 54.840 -0.615 0.000 0.818 237 L CB 1.143 42.679 42.059 -0.872 0.000 1.284 237 L HN 0.363 nan 8.230 nan 0.000 0.424 238 L N 1.593 122.499 121.223 -0.527 0.000 2.422 238 L HA 0.938 5.272 4.340 -0.010 0.000 0.264 238 L C -0.002 176.905 176.870 0.062 0.000 0.984 238 L CA -0.073 54.619 54.840 -0.247 0.000 0.819 238 L CB 2.270 44.217 42.059 -0.187 0.000 1.330 238 L HN 0.725 nan 8.230 nan 0.000 0.410 239 G N 0.435 109.317 108.800 0.138 0.000 2.632 239 G HA2 0.653 4.607 3.960 -0.010 0.000 0.292 239 G HA3 0.653 4.607 3.960 -0.010 0.000 0.292 239 G C -1.519 173.392 174.900 0.017 0.000 1.465 239 G CA -0.315 44.868 45.100 0.139 0.000 0.824 239 G HN 0.916 nan 8.290 nan 0.000 0.509 240 C N -0.737 118.546 119.300 -0.028 0.000 3.291 240 C HA 1.015 5.470 4.460 -0.010 0.000 0.316 240 C C -0.211 174.808 174.990 0.050 0.000 1.391 240 C CA -0.615 58.346 59.018 -0.095 0.000 1.394 240 C CB 1.201 28.768 27.740 -0.288 0.000 1.744 240 C HN 2.028 nan 8.230 nan 0.000 0.461 241 S N -0.325 115.480 115.700 0.176 0.000 2.556 241 S HA 0.618 5.083 4.470 -0.010 0.000 0.280 241 S C -1.373 173.361 174.600 0.223 0.000 1.141 241 S CA -0.617 57.784 58.200 0.335 0.000 0.883 241 S CB 0.169 63.483 63.200 0.189 0.000 1.103 241 S HN 0.915 nan 8.310 nan 0.000 0.453 242 I N 2.856 123.472 120.570 0.077 0.000 2.416 242 I HA 0.333 4.497 4.170 -0.010 0.000 0.288 242 I C 0.591 176.718 176.117 0.017 0.000 1.051 242 I CA -0.070 61.188 61.300 -0.071 0.000 1.375 242 I CB 0.266 38.137 38.000 -0.216 0.000 1.407 242 I HN 0.600 nan 8.210 nan 0.000 0.516 243 D N 4.980 125.389 120.400 0.015 0.000 2.433 243 D HA 0.389 5.023 4.640 -0.010 0.000 0.255 243 D C -0.372 175.946 176.300 0.030 0.000 1.226 243 D CA -0.061 53.961 54.000 0.037 0.000 1.015 243 D CB 1.508 42.330 40.800 0.037 0.000 1.091 243 D HN 0.240 nan 8.370 nan 0.000 0.527 244 I N 0.112 120.705 120.570 0.038 0.000 2.646 244 I HA 0.189 4.353 4.170 -0.010 0.000 0.299 244 I C -0.613 175.520 176.117 0.026 0.000 1.036 244 I CA -0.213 61.107 61.300 0.034 0.000 1.074 244 I CB 2.110 40.138 38.000 0.046 0.000 1.258 244 I HN 0.143 nan 8.210 nan 0.000 0.430 245 T N 4.599 119.166 114.554 0.021 0.000 2.829 245 T HA 0.207 4.552 4.350 -0.010 0.000 0.280 245 T C -0.062 174.649 174.700 0.017 0.000 0.999 245 T CA -0.115 61.995 62.100 0.016 0.000 0.983 245 T CB 1.212 70.087 68.868 0.010 0.000 0.968 245 T HN 0.654 nan 8.240 nan 0.000 0.446 246 S N 2.672 118.381 115.700 0.016 0.000 2.643 246 S HA 0.320 4.784 4.470 -0.010 0.000 0.310 246 S C 0.743 175.351 174.600 0.014 0.000 1.253 246 S CA 0.919 59.128 58.200 0.015 0.000 1.047 246 S CB -0.635 62.572 63.200 0.012 0.000 0.767 246 S HN 1.463 nan 8.310 nan 0.000 0.498 251 E N 0.845 121.059 120.200 0.023 0.000 2.222 251 E HA 0.730 5.075 4.350 -0.010 0.000 0.267 251 E C 1.094 177.718 176.600 0.041 0.000 0.963 251 E CA 0.310 56.729 56.400 0.032 0.000 0.837 251 E CB 1.824 31.541 29.700 0.029 0.000 1.183 251 E HN 0.272 nan 8.360 nan 0.000 0.403 252 A N 2.231 125.082 122.820 0.051 0.000 1.904 252 A HA -0.089 4.226 4.320 -0.010 0.000 0.207 252 A C 0.652 178.268 177.584 0.053 0.000 1.231 252 A CA 0.867 52.938 52.037 0.058 0.000 0.655 252 A CB -0.961 18.085 19.000 0.076 0.000 0.875 252 A HN 0.393 nan 8.150 nan 0.000 0.478 253 V N 1.442 121.393 119.914 0.062 0.000 2.599 253 V HA 0.269 4.383 4.120 -0.010 0.000 0.300 253 V C 1.030 177.165 176.094 0.069 0.000 1.034 253 V CA 0.351 62.685 62.300 0.057 0.000 1.115 253 V CB -0.085 31.785 31.823 0.079 0.000 0.934 253 V HN 0.774 nan 8.190 nan 0.000 0.485 254 T N 2.756 117.346 114.554 0.061 0.000 2.910 254 T HA 0.257 4.601 4.350 -0.010 0.000 0.293 254 T C 0.497 175.281 174.700 0.140 0.000 1.015 254 T CA -0.274 61.888 62.100 0.103 0.000 1.094 254 T CB 0.646 69.546 68.868 0.053 0.000 0.968 254 T HN 0.749 nan 8.240 nan 0.000 0.521 255 Y N 1.107 121.402 120.300 -0.009 0.000 2.477 255 Y HA 0.358 4.903 4.550 -0.008 0.000 0.303 255 Y C 1.538 177.411 175.900 -0.046 0.000 1.202 255 Y CA -0.390 57.699 58.100 -0.018 0.000 1.282 255 Y CB -0.665 37.789 38.460 -0.011 0.000 1.071 255 Y HN 0.580 nan 8.280 nan 0.000 0.510 256 Q N 1.057 120.703 119.800 -0.256 0.000 2.280 256 Q HA 0.160 4.494 4.340 -0.010 0.000 0.201 256 Q C -0.328 175.572 176.000 -0.168 0.000 0.890 256 Q CA 0.048 55.660 55.803 -0.319 0.000 0.947 256 Q CB 0.286 28.865 28.738 -0.265 0.000 1.081 256 Q HN 0.143 nan 8.270 nan 0.000 0.502 257 K N 0.072 120.431 120.400 -0.068 0.000 4.278 257 K HA -0.169 4.145 4.320 -0.010 0.000 0.306 257 K C -1.270 175.334 176.600 0.008 0.000 1.041 257 K CA 0.514 56.792 56.287 -0.016 0.000 0.957 257 K CB -2.090 30.392 32.500 -0.029 0.000 1.522 257 K HN 0.212 nan 8.250 nan 0.000 0.437 258 L N 0.620 121.843 121.223 0.001 0.000 2.409 258 L HA 0.379 4.713 4.340 -0.010 0.000 0.272 258 L C 0.213 177.096 176.870 0.021 0.000 0.980 258 L CA -1.163 53.678 54.840 0.002 0.000 0.826 258 L CB 2.201 44.163 42.059 -0.163 0.000 1.268 258 L HN -0.003 nan 8.230 nan 0.000 0.407 259 V N 2.846 122.815 119.914 0.091 0.000 2.470 259 V HA 0.177 4.291 4.120 -0.010 0.000 0.276 259 V C 0.628 176.786 176.094 0.107 0.000 1.040 259 V CA -0.635 61.635 62.300 -0.050 0.000 1.008 259 V CB 0.378 31.887 31.823 -0.523 0.000 0.990 259 V HN 0.635 nan 8.190 nan 0.000 0.477 260 K N 3.027 123.458 120.400 0.053 0.000 2.276 260 K HA 0.316 4.630 4.320 -0.010 0.000 0.259 260 K C 1.250 177.934 176.600 0.141 0.000 1.001 260 K CA 0.609 56.942 56.287 0.077 0.000 0.927 260 K CB 0.395 32.925 32.500 0.050 0.000 0.969 260 K HN 1.114 nan 8.250 nan 0.000 0.490 261 G N 2.257 111.139 108.800 0.137 0.000 2.421 261 G HA2 -0.271 3.683 3.960 -0.010 0.000 0.300 261 G HA3 -0.271 3.683 3.960 -0.010 0.000 0.300 261 G C -0.552 174.490 174.900 0.237 0.000 0.974 261 G CA 0.795 45.989 45.100 0.156 0.000 1.062 261 G HN 0.735 nan 8.290 nan 0.000 0.514 262 H N -0.588 118.563 119.070 0.134 0.000 2.782 262 H HA 0.641 5.191 4.556 -0.010 0.000 0.347 262 H C 0.111 175.515 175.328 0.127 0.000 1.038 262 H CA 0.115 56.216 56.048 0.088 0.000 1.255 262 H CB 1.255 31.002 29.762 -0.025 0.000 1.623 262 H HN 0.562 nan 8.280 nan 0.000 0.525 263 A N 4.627 127.216 122.820 -0.384 0.000 2.454 263 A HA 0.411 4.725 4.320 -0.010 0.000 0.260 263 A C -1.154 176.201 177.584 -0.382 0.000 1.106 263 A CA 0.165 52.062 52.037 -0.232 0.000 0.780 263 A CB -0.441 18.455 19.000 -0.174 0.000 1.044 263 A HN 0.602 nan 8.150 nan 0.000 0.498 264 Y N 0.554 120.770 120.300 -0.140 0.000 2.598 264 Y HA 0.601 5.146 4.550 -0.009 0.000 0.340 264 Y C 0.670 176.497 175.900 -0.122 0.000 1.038 264 Y CA -0.597 57.430 58.100 -0.122 0.000 1.100 264 Y CB 2.269 40.695 38.460 -0.058 0.000 1.281 264 Y HN 0.553 nan 8.280 nan 0.000 0.488 265 S N 0.965 116.683 115.700 0.031 0.000 2.596 265 S HA 0.505 4.969 4.470 -0.010 0.000 0.318 265 S C -1.280 173.276 174.600 -0.074 0.000 1.097 265 S CA -0.594 57.606 58.200 0.001 0.000 1.080 265 S CB 0.316 63.509 63.200 -0.012 0.000 0.991 265 S HN 0.426 nan 8.310 nan 0.000 0.471 266 V N 5.434 125.303 119.914 -0.076 0.000 2.521 266 V HA 0.217 4.332 4.120 -0.010 0.000 0.286 266 V C 1.581 177.570 176.094 -0.174 0.000 1.034 266 V CA 1.046 63.250 62.300 -0.160 0.000 1.045 266 V CB 0.896 32.626 31.823 -0.155 0.000 0.974 266 V HN 1.087 nan 8.190 nan 0.000 0.480 267 T N 1.371 115.784 114.554 -0.235 0.000 2.989 267 T HA 0.321 4.665 4.350 -0.010 0.000 0.250 267 T C 0.639 175.215 174.700 -0.208 0.000 0.981 267 T CA 0.528 62.502 62.100 -0.210 0.000 0.980 267 T CB 0.549 69.284 68.868 -0.223 0.000 1.133 267 T HN 0.813 nan 8.240 nan 0.000 0.489 268 G N 0.407 109.048 108.800 -0.264 0.000 2.542 268 G HA2 0.705 4.659 3.960 -0.010 0.000 0.311 268 G HA3 0.705 4.659 3.960 -0.010 0.000 0.311 268 G C -1.274 173.579 174.900 -0.078 0.000 1.298 268 G CA -0.600 44.409 45.100 -0.151 0.000 0.973 268 G HN 0.669 nan 8.290 nan 0.000 0.487 269 A N 2.030 124.838 122.820 -0.019 0.000 2.375 269 A HA 0.821 5.135 4.320 -0.010 0.000 0.291 269 A C -0.782 176.846 177.584 0.073 0.000 1.160 269 A CA -0.591 51.395 52.037 -0.085 0.000 0.747 269 A CB 1.388 20.209 19.000 -0.297 0.000 1.170 269 A HN 0.463 nan 8.150 nan 0.000 0.458 270 E N 1.681 122.020 120.200 0.231 0.000 2.335 270 E HA 0.287 4.631 4.350 -0.010 0.000 0.280 270 E C -1.382 175.339 176.600 0.200 0.000 0.918 270 E CA -0.376 56.144 56.400 0.200 0.000 0.765 270 E CB 2.144 31.941 29.700 0.161 0.000 1.218 270 E HN 0.861 nan 8.360 nan 0.000 0.425 271 E N 0.350 120.604 120.200 0.089 0.000 2.155 271 E HA 0.549 4.893 4.350 -0.010 0.000 0.264 271 E C -0.390 176.173 176.600 -0.062 0.000 0.886 271 E CA -0.999 55.362 56.400 -0.065 0.000 0.752 271 E CB 1.599 31.180 29.700 -0.199 0.000 1.133 271 E HN 0.165 nan 8.360 nan 0.000 0.414 272 V N 0.042 119.909 119.914 -0.079 0.000 2.569 272 V HA 0.374 4.488 4.120 -0.010 0.000 0.301 272 V C -0.129 175.936 176.094 -0.050 0.000 1.044 272 V CA -1.018 61.253 62.300 -0.048 0.000 0.874 272 V CB 1.737 33.547 31.823 -0.022 0.000 1.002 272 V HN 0.766 nan 8.190 nan 0.000 0.424 273 E N 3.674 123.852 120.200 -0.038 0.000 2.406 273 E HA 0.072 4.416 4.350 -0.010 0.000 0.247 273 E C 0.554 177.154 176.600 -0.000 0.000 1.160 273 E CA 0.367 56.750 56.400 -0.028 0.000 0.950 273 E CB 0.726 30.412 29.700 -0.023 0.000 0.993 273 E HN 1.037 nan 8.360 nan 0.000 0.472 274 S N 2.721 118.431 115.700 0.017 0.000 2.528 274 S HA 0.128 4.592 4.470 -0.010 0.000 0.277 274 S C 0.268 174.887 174.600 0.031 0.000 1.297 274 S CA -0.717 57.512 58.200 0.049 0.000 1.052 274 S CB 1.078 64.357 63.200 0.131 0.000 0.917 274 S HN 0.291 nan 8.310 nan 0.000 0.492 275 S N 3.497 119.209 115.700 0.020 0.000 4.142 275 S HA 0.287 4.751 4.470 -0.010 0.000 0.497 275 S C 1.399 176.005 174.600 0.011 0.000 1.055 275 S CA 0.831 59.037 58.200 0.010 0.000 1.165 275 S CB -1.159 62.043 63.200 0.005 0.000 0.774 275 S HN 1.570 nan 8.310 nan 0.000 0.512 276 G N 2.596 111.399 108.800 0.005 0.000 3.038 276 G HA2 -0.122 3.832 3.960 -0.010 0.000 0.197 276 G HA3 -0.122 3.832 3.960 -0.010 0.000 0.197 276 G C -0.145 174.753 174.900 -0.004 0.000 1.925 276 G CA -0.031 45.071 45.100 0.003 0.000 1.405 276 G HN 1.532 nan 8.290 nan 0.000 0.524 277 S N 0.590 116.287 115.700 -0.005 0.000 2.564 277 S HA 0.761 5.225 4.470 -0.010 0.000 0.274 277 S C -0.664 173.909 174.600 -0.044 0.000 1.124 277 S CA -0.821 57.365 58.200 -0.025 0.000 0.869 277 S CB 2.539 65.723 63.200 -0.026 0.000 1.105 277 S HN 0.956 nan 8.310 nan 0.000 0.472 278 L N 2.300 123.483 121.223 -0.067 0.000 2.490 278 L HA 0.322 4.656 4.340 -0.010 0.000 0.274 278 L C -0.168 176.613 176.870 -0.148 0.000 1.201 278 L CA 1.050 55.831 54.840 -0.098 0.000 0.869 278 L CB 0.244 42.239 42.059 -0.107 0.000 1.123 278 L HN 0.767 nan 8.230 nan 0.000 0.484 279 Q N 3.546 123.238 119.800 -0.180 0.000 2.333 279 Q HA 0.256 4.591 4.340 -0.010 0.000 0.265 279 Q C -0.527 175.263 176.000 -0.350 0.000 0.989 279 Q CA -0.927 54.709 55.803 -0.279 0.000 0.842 279 Q CB 1.691 30.242 28.738 -0.311 0.000 1.262 279 Q HN 0.376 nan 8.270 nan 0.000 0.451 280 K N 2.392 122.523 120.400 -0.450 0.000 2.310 280 K HA 0.496 4.811 4.320 -0.010 0.000 0.290 280 K C -0.340 176.081 176.600 -0.299 0.000 1.077 280 K CA 0.029 55.925 56.287 -0.650 0.000 0.922 280 K CB 0.507 32.391 32.500 -1.026 0.000 1.057 280 K HN 0.328 nan 8.250 nan 0.000 0.479 281 L N 3.507 124.698 121.223 -0.052 0.000 2.354 281 L HA 0.643 4.977 4.340 -0.010 0.000 0.264 281 L C -0.969 176.178 176.870 0.461 0.000 1.008 281 L CA -1.089 53.850 54.840 0.165 0.000 0.819 281 L CB 1.897 43.986 42.059 0.049 0.000 1.339 281 L HN 0.736 nan 8.230 nan 0.000 0.420 282 I N 1.636 122.518 120.570 0.521 0.000 2.644 282 I HA 0.401 4.565 4.170 -0.010 0.000 0.291 282 I C -1.145 175.025 176.117 0.088 0.000 1.180 282 I CA -0.491 60.964 61.300 0.257 0.000 1.040 282 I CB 1.881 39.806 38.000 -0.125 0.000 1.255 282 I HN 0.611 nan 8.210 nan 0.000 0.422 283 R N 8.051 128.330 120.500 -0.368 0.000 2.229 283 R HA 0.621 4.955 4.340 -0.010 0.000 0.328 283 R C -1.289 174.673 176.300 -0.564 0.000 1.009 283 R CA -0.493 55.093 56.100 -0.856 0.000 0.864 283 R CB 0.750 30.176 30.300 -1.456 0.000 1.085 283 R HN 0.524 nan 8.270 nan 0.000 0.453 284 I N 3.153 123.339 120.570 -0.639 0.000 2.797 284 I HA 0.512 4.676 4.170 -0.010 0.000 0.307 284 I C -0.143 175.544 176.117 -0.716 0.000 1.033 284 I CA -0.947 59.993 61.300 -0.599 0.000 1.071 284 I CB 1.642 39.283 38.000 -0.598 0.000 1.255 284 I HN 0.674 nan 8.210 nan 0.000 0.445 285 R N 2.500 122.769 120.500 -0.386 0.000 2.532 285 R HA 0.347 4.681 4.340 -0.010 0.000 0.297 285 R C -0.974 175.282 176.300 -0.073 0.000 0.984 285 R CA -0.606 55.335 56.100 -0.264 0.000 0.884 285 R CB 1.431 31.622 30.300 -0.182 0.000 1.182 285 R HN 0.669 nan 8.270 nan 0.000 0.442 286 N N 5.151 123.861 118.700 0.016 0.000 2.420 286 N HA 0.211 4.945 4.740 -0.010 0.000 0.249 286 N C -2.019 173.459 175.510 -0.053 0.000 1.033 286 N CA -2.133 50.878 53.050 -0.064 0.000 0.944 286 N CB 1.583 40.148 38.487 0.130 0.000 1.113 286 N HN 0.375 nan 8.380 nan 0.000 0.502 287 P HA -0.096 nan 4.420 nan 0.000 0.223 287 P C 0.553 177.963 177.300 0.183 0.000 1.140 287 P CA 0.822 63.908 63.100 -0.022 0.000 0.783 287 P CB 0.038 31.674 31.700 -0.106 0.000 0.759 288 W N -0.317 120.991 121.300 0.014 0.000 2.388 288 W HA 0.131 4.786 4.660 -0.009 0.000 0.294 288 W C 1.951 178.472 176.519 0.004 0.000 1.212 288 W CA 1.633 58.992 57.345 0.023 0.000 1.271 288 W CB -1.549 27.942 29.460 0.051 0.000 1.126 288 W HN 0.129 nan 8.180 nan 0.000 0.535 289 G N 0.347 109.291 108.800 0.240 0.000 2.141 289 G HA2 -0.227 3.727 3.960 -0.010 0.000 0.242 289 G HA3 -0.227 3.727 3.960 -0.010 0.000 0.242 289 G C 0.074 175.081 174.900 0.178 0.000 0.982 289 G CA 0.331 45.518 45.100 0.144 0.000 0.662 289 G HN 0.453 nan 8.290 nan 0.000 0.527 290 Q N -2.264 117.695 119.800 0.265 0.000 2.578 290 Q HA 0.657 4.991 4.340 -0.010 0.000 0.284 290 Q C -0.274 175.927 176.000 0.335 0.000 0.960 290 Q CA -0.790 55.165 55.803 0.253 0.000 0.809 290 Q CB 2.249 31.109 28.738 0.203 0.000 1.462 290 Q HN 1.354 nan 8.270 nan 0.000 0.392 291 V N 0.161 120.236 119.914 0.269 0.000 3.906 291 V HA -0.182 3.932 4.120 -0.010 0.000 0.429 291 V C -0.799 175.444 176.094 0.248 0.000 0.673 291 V CA 1.133 63.580 62.300 0.245 0.000 1.832 291 V CB -1.479 30.525 31.823 0.301 0.000 2.254 291 V HN 0.819 nan 8.190 nan 0.000 0.488 292 E N 4.081 124.407 120.200 0.210 0.000 2.250 292 E HA 0.472 4.817 4.350 -0.010 0.000 0.265 292 E C 0.290 176.823 176.600 -0.112 0.000 1.033 292 E CA -0.589 55.917 56.400 0.176 0.000 0.888 292 E CB 1.396 31.297 29.700 0.335 0.000 1.151 292 E HN 0.732 nan 8.360 nan 0.000 0.412 293 W N 2.138 122.942 121.300 -0.827 0.000 2.184 293 W HA 0.241 4.893 4.660 -0.012 0.000 0.338 293 W C -0.627 175.716 176.519 -0.293 0.000 1.257 293 W CA -0.271 56.718 57.345 -0.594 0.000 1.243 293 W CB 0.438 29.423 29.460 -0.792 0.000 1.122 293 W HN 0.553 nan 8.180 nan 0.000 0.585 294 T N -0.778 113.344 114.554 -0.720 0.000 2.883 294 T HA 0.669 5.013 4.350 -0.010 0.000 0.284 294 T C 0.844 174.900 174.700 -1.072 0.000 1.041 294 T CA 0.165 61.811 62.100 -0.757 0.000 1.007 294 T CB 1.336 69.975 68.868 -0.381 0.000 1.220 294 T HN 1.570 nan 8.240 nan 0.000 0.552 295 G N 0.744 109.146 108.800 -0.663 0.000 3.329 295 G HA2 -0.183 3.772 3.960 -0.010 0.000 0.220 295 G HA3 -0.183 3.772 3.960 -0.010 0.000 0.220 295 G C -0.055 174.576 174.900 -0.449 0.000 1.358 295 G CA 0.368 45.150 45.100 -0.531 0.000 0.856 295 G HN 0.871 nan 8.290 nan 0.000 0.551 296 K N -0.827 119.178 120.400 -0.659 0.000 2.375 296 K HA 0.462 4.776 4.320 -0.010 0.000 0.249 296 K C 0.119 176.853 176.600 0.223 0.000 0.942 296 K CA -0.768 55.460 56.287 -0.098 0.000 0.806 296 K CB 1.320 34.024 32.500 0.340 0.000 1.227 296 K HN 0.454 nan 8.250 nan 0.000 0.430 297 W N 0.194 121.558 121.300 0.106 0.000 4.010 297 W HA -0.390 4.260 4.660 -0.016 0.000 0.299 297 W C 0.935 177.757 176.519 0.505 0.000 1.087 297 W CA 1.415 58.875 57.345 0.190 0.000 0.709 297 W CB -2.227 27.375 29.460 0.236 0.000 2.117 297 W HN 0.794 nan 8.180 nan 0.000 1.569 298 N N -0.206 118.831 118.700 0.562 0.000 2.062 298 N HA 0.010 4.744 4.740 -0.010 0.000 0.221 298 N C 1.064 177.028 175.510 0.757 0.000 1.230 298 N CA 1.898 55.322 53.050 0.624 0.000 0.958 298 N CB -0.528 38.066 38.487 0.178 0.000 1.021 298 N HN 0.052 nan 8.380 nan 0.000 0.400 299 D N -3.113 117.546 120.400 0.431 0.000 2.929 299 D HA 0.133 4.767 4.640 -0.010 0.000 0.291 299 D C -0.210 176.188 176.300 0.164 0.000 1.086 299 D CA 0.154 54.313 54.000 0.265 0.000 0.971 299 D CB -0.018 40.903 40.800 0.202 0.000 1.275 299 D HN 0.325 nan 8.370 nan 0.000 0.469 300 N N 0.762 119.543 118.700 0.136 0.000 3.331 300 N HA 0.146 4.880 4.740 -0.010 0.000 0.303 300 N C -1.433 174.127 175.510 0.084 0.000 1.326 300 N CA 0.044 53.145 53.050 0.085 0.000 1.207 300 N CB 0.185 38.699 38.487 0.044 0.000 1.477 300 N HN 0.096 nan 8.380 nan 0.000 0.541 301 C N 1.861 121.267 119.300 0.176 0.000 2.522 301 C HA 0.409 4.863 4.460 -0.010 0.000 0.344 301 C C -2.256 172.780 174.990 0.077 0.000 1.104 301 C CA -1.648 57.417 59.018 0.078 0.000 1.317 301 C CB 0.982 28.727 27.740 0.008 0.000 1.896 301 C HN 0.325 nan 8.230 nan 0.000 0.443 302 P HA 0.057 nan 4.420 nan 0.000 0.301 302 P C 0.812 177.994 177.300 -0.197 0.000 1.560 302 P CA 0.711 63.779 63.100 -0.053 0.000 0.784 302 P CB -0.036 31.635 31.700 -0.048 0.000 1.715 303 S N -2.278 113.174 115.700 -0.412 0.000 2.503 303 S HA 0.013 4.477 4.470 -0.010 0.000 0.217 303 S C 0.895 175.069 174.600 -0.711 0.000 0.999 303 S CA 0.042 57.788 58.200 -0.755 0.000 0.914 303 S CB -0.397 61.906 63.200 -1.495 0.000 0.782 303 S HN 0.436 nan 8.310 nan 0.000 0.520 304 W N 2.743 123.869 121.300 -0.291 0.000 3.077 304 W HA 0.150 4.801 4.660 -0.015 0.000 0.245 304 W C 1.242 177.700 176.519 -0.100 0.000 1.316 304 W CA -0.373 56.880 57.345 -0.153 0.000 1.537 304 W CB -0.474 28.933 29.460 -0.089 0.000 1.131 304 W HN 0.224 nan 8.180 nan 0.000 0.695 305 N N -0.419 118.302 118.700 0.035 0.000 2.331 305 N HA -0.112 4.622 4.740 -0.010 0.000 0.180 305 N C 1.829 177.339 175.510 -0.000 0.000 1.019 305 N CA 1.836 54.897 53.050 0.018 0.000 0.881 305 N CB -0.992 37.484 38.487 -0.018 0.000 0.972 305 N HN 0.135 nan 8.380 nan 0.000 0.435 306 T N -2.118 112.408 114.554 -0.046 0.000 3.194 306 T HA 0.214 4.559 4.350 -0.010 0.000 0.251 306 T C 0.336 175.041 174.700 0.008 0.000 1.132 306 T CA -0.178 61.901 62.100 -0.036 0.000 1.028 306 T CB -0.474 68.350 68.868 -0.074 0.000 0.976 306 T HN -0.191 nan 8.240 nan 0.000 0.535 307 V N 1.429 121.369 119.914 0.043 0.000 2.769 307 V HA 0.442 4.557 4.120 -0.010 0.000 0.312 307 V C -0.311 175.823 176.094 0.067 0.000 1.061 307 V CA -1.540 60.803 62.300 0.073 0.000 0.931 307 V CB 1.757 33.663 31.823 0.139 0.000 1.010 307 V HN 0.385 nan 8.190 nan 0.000 0.433 308 D N 4.486 124.915 120.400 0.049 0.000 2.450 308 D HA 0.139 4.773 4.640 -0.010 0.000 0.247 308 D C -1.593 174.732 176.300 0.041 0.000 1.162 308 D CA -0.873 53.149 54.000 0.037 0.000 0.879 308 D CB 1.584 42.399 40.800 0.025 0.000 1.163 308 D HN 0.243 nan 8.370 nan 0.000 0.472 309 P HA -0.139 nan 4.420 nan 0.000 0.219 309 P C 0.981 178.293 177.300 0.020 0.000 1.146 309 P CA 0.721 63.837 63.100 0.028 0.000 0.808 309 P CB 0.208 31.921 31.700 0.021 0.000 0.779 310 E N -0.496 119.715 120.200 0.018 0.000 2.051 310 E HA -0.093 4.251 4.350 -0.010 0.000 0.192 310 E C 1.671 178.279 176.600 0.014 0.000 0.991 310 E CA 1.431 57.839 56.400 0.014 0.000 0.799 310 E CB -0.258 29.449 29.700 0.012 0.000 0.748 310 E HN 0.159 nan 8.360 nan 0.000 0.449 311 V N 0.320 120.245 119.914 0.017 0.000 3.590 311 V HA 0.068 4.182 4.120 -0.010 0.000 0.265 311 V C 2.231 178.335 176.094 0.016 0.000 1.239 311 V CA 0.423 62.733 62.300 0.017 0.000 1.117 311 V CB -0.177 31.656 31.823 0.016 0.000 0.818 311 V HN 0.091 nan 8.190 nan 0.000 0.451 312 R N 1.936 122.448 120.500 0.020 0.000 2.055 312 R HA -0.013 4.322 4.340 -0.010 0.000 0.228 312 R C 1.983 178.276 176.300 -0.012 0.000 1.143 312 R CA 1.652 57.761 56.100 0.015 0.000 0.945 312 R CB -0.393 29.937 30.300 0.049 0.000 0.841 312 R HN 0.437 nan 8.270 nan 0.000 0.429 313 A N 0.728 123.547 122.820 -0.002 0.000 2.258 313 A HA 0.003 4.318 4.320 -0.010 0.000 0.206 313 A C 0.595 178.181 177.584 0.003 0.000 1.222 313 A CA 0.544 52.577 52.037 -0.006 0.000 0.822 313 A CB -0.220 18.779 19.000 -0.001 0.000 0.804 313 A HN 0.425 nan 8.150 nan 0.000 0.483 314 N N -1.265 117.441 118.700 0.011 0.000 2.197 314 N HA 0.273 5.008 4.740 -0.010 0.000 0.201 314 N C 0.868 176.405 175.510 0.046 0.000 1.148 314 N CA 0.398 53.462 53.050 0.024 0.000 0.883 314 N CB 0.597 39.098 38.487 0.024 0.000 1.012 314 N HN 0.473 nan 8.380 nan 0.000 0.507 315 L N -1.608 119.642 121.223 0.046 0.000 2.966 315 L HA 0.233 4.568 4.340 -0.010 0.000 0.262 315 L C 0.407 177.377 176.870 0.166 0.000 1.068 315 L CA 0.276 55.185 54.840 0.115 0.000 1.004 315 L CB 0.772 42.883 42.059 0.086 0.000 1.629 315 L HN -0.145 nan 8.230 nan 0.000 0.542 316 T N 0.820 115.364 114.554 -0.017 0.000 2.771 316 T HA 0.298 4.643 4.350 -0.010 0.000 0.281 316 T C -0.379 174.265 174.700 -0.094 0.000 0.982 316 T CA -0.275 61.763 62.100 -0.105 0.000 0.978 316 T CB 1.538 69.991 68.868 -0.692 0.000 0.930 316 T HN 0.098 nan 8.240 nan 0.000 0.447 317 E N 2.440 122.633 120.200 -0.012 0.000 2.601 317 E HA 0.470 4.814 4.350 -0.010 0.000 0.250 317 E C -0.062 176.502 176.600 -0.061 0.000 1.099 317 E CA -0.883 55.499 56.400 -0.030 0.000 0.968 317 E CB 0.861 30.571 29.700 0.016 0.000 1.290 317 E HN 0.361 nan 8.360 nan 0.000 0.505 318 R N 0.911 121.398 120.500 -0.022 0.000 2.599 318 R HA 0.192 4.526 4.340 -0.010 0.000 0.451 318 R C -1.033 175.282 176.300 0.025 0.000 0.988 318 R CA 0.008 56.100 56.100 -0.013 0.000 1.085 318 R CB 0.515 30.797 30.300 -0.031 0.000 1.452 318 R HN 0.442 nan 8.270 nan 0.000 0.596 319 Q N 0.268 120.095 119.800 0.045 0.000 2.397 319 Q HA 0.241 4.575 4.340 -0.010 0.000 0.275 319 Q C -1.079 174.970 176.000 0.082 0.000 1.090 319 Q CA -0.571 55.265 55.803 0.054 0.000 0.809 319 Q CB 2.893 31.654 28.738 0.040 0.000 1.362 319 Q HN 0.125 nan 8.270 nan 0.000 0.431 320 E N 1.727 121.978 120.200 0.085 0.000 2.070 320 E HA 0.036 4.380 4.350 -0.010 0.000 0.282 320 E C -0.630 176.035 176.600 0.108 0.000 1.104 320 E CA 0.158 56.626 56.400 0.113 0.000 0.876 320 E CB 0.298 30.062 29.700 0.107 0.000 1.055 320 E HN 0.420 nan 8.360 nan 0.000 0.401 321 D N 3.215 123.689 120.400 0.123 0.000 2.562 321 D HA 0.170 4.804 4.640 -0.010 0.000 0.246 321 D C 1.000 177.376 176.300 0.127 0.000 1.347 321 D CA 0.148 54.208 54.000 0.100 0.000 0.800 321 D CB 0.587 41.422 40.800 0.059 0.000 1.111 321 D HN 0.603 nan 8.370 nan 0.000 0.508 322 G N 0.610 109.532 108.800 0.202 0.000 2.179 322 G HA2 -0.333 3.621 3.960 -0.010 0.000 0.260 322 G HA3 -0.333 3.621 3.960 -0.010 0.000 0.260 322 G C 0.032 175.080 174.900 0.247 0.000 0.977 322 G CA 0.369 45.634 45.100 0.275 0.000 0.641 322 G HN 0.560 nan 8.290 nan 0.000 0.533 323 E N -0.126 120.155 120.200 0.134 0.000 2.204 323 E HA 0.734 5.078 4.350 -0.010 0.000 0.276 323 E C 0.093 176.731 176.600 0.062 0.000 0.974 323 E CA -0.995 55.345 56.400 -0.101 0.000 0.815 323 E CB 0.684 30.301 29.700 -0.138 0.000 1.119 323 E HN 0.723 nan 8.360 nan 0.000 0.393 324 F N 0.366 120.297 119.950 -0.032 0.000 2.817 324 F HA 0.614 5.134 4.527 -0.011 0.000 0.317 324 F C -1.773 173.978 175.800 -0.081 0.000 1.168 324 F CA -1.389 56.658 58.000 0.080 0.000 0.911 324 F CB 0.559 39.754 39.000 0.325 0.000 1.337 324 F HN 0.326 nan 8.300 nan 0.000 0.464 325 W N 1.739 123.452 121.300 0.689 0.000 2.671 325 W HA 0.866 5.527 4.660 0.001 0.000 0.360 325 W C -0.534 176.379 176.519 0.657 0.000 1.128 325 W CA -0.808 56.891 57.345 0.591 0.000 1.184 325 W CB 1.846 31.732 29.460 0.711 0.000 1.415 325 W HN 0.774 nan 8.180 nan 0.000 0.604 326 M N -0.003 120.002 119.600 0.675 0.000 2.562 326 M HA 0.455 4.929 4.480 -0.010 0.000 0.281 326 M C -0.341 176.102 176.300 0.238 0.000 1.195 326 M CA -0.991 54.577 55.300 0.446 0.000 0.888 326 M CB 1.625 34.204 32.600 -0.036 0.000 1.731 326 M HN 0.303 nan 8.290 nan 0.000 0.493 327 S N 0.545 116.277 115.700 0.053 0.000 2.566 327 S HA 0.139 4.604 4.470 -0.010 0.000 0.280 327 S C 0.430 175.113 174.600 0.139 0.000 1.343 327 S CA -0.257 57.876 58.200 -0.110 0.000 1.036 327 S CB 0.326 63.388 63.200 -0.230 0.000 0.866 327 S HN 0.698 nan 8.310 nan 0.000 0.526 328 F N 2.480 122.412 119.950 -0.030 0.000 2.269 328 F HA -0.021 4.503 4.527 -0.006 0.000 0.301 328 F C 2.366 178.249 175.800 0.138 0.000 1.082 328 F CA 1.307 59.364 58.000 0.094 0.000 1.360 328 F CB -0.902 38.150 39.000 0.086 0.000 1.041 328 F HN 0.694 nan 8.300 nan 0.000 0.512 329 S N -0.226 115.510 115.700 0.061 0.000 2.348 329 S HA -0.196 4.268 4.470 -0.010 0.000 0.221 329 S C 1.730 176.310 174.600 -0.033 0.000 1.033 329 S CA 1.492 59.680 58.200 -0.021 0.000 1.010 329 S CB -0.458 62.736 63.200 -0.009 0.000 0.891 329 S HN 0.394 nan 8.310 nan 0.000 0.442 330 D N 0.434 120.862 120.400 0.048 0.000 2.178 330 D HA -0.004 4.630 4.640 -0.010 0.000 0.202 330 D C 1.606 177.936 176.300 0.051 0.000 0.974 330 D CA 0.525 54.578 54.000 0.088 0.000 0.841 330 D CB -0.232 40.734 40.800 0.277 0.000 0.953 330 D HN 0.346 nan 8.370 nan 0.000 0.478 331 F N 1.255 121.145 119.950 -0.100 0.000 2.095 331 F HA -0.229 4.295 4.527 -0.006 0.000 0.298 331 F C 1.957 177.657 175.800 -0.165 0.000 1.104 331 F CA 0.995 58.942 58.000 -0.088 0.000 1.232 331 F CB -0.075 38.865 39.000 -0.100 0.000 0.987 331 F HN -0.127 nan 8.300 nan 0.000 0.475 332 L N 0.786 121.870 121.223 -0.232 0.000 2.056 332 L HA -0.144 4.190 4.340 -0.010 0.000 0.207 332 L C 2.608 179.314 176.870 -0.274 0.000 1.078 332 L CA 1.732 56.377 54.840 -0.326 0.000 0.749 332 L CB -1.475 40.383 42.059 -0.336 0.000 0.901 332 L HN 0.197 nan 8.230 nan 0.000 0.433 333 R N -1.390 118.948 120.500 -0.270 0.000 2.081 333 R HA -0.169 4.165 4.340 -0.010 0.000 0.235 333 R C 2.161 178.194 176.300 -0.445 0.000 1.131 333 R CA 1.714 57.597 56.100 -0.360 0.000 0.960 333 R CB -0.112 29.919 30.300 -0.449 0.000 0.856 333 R HN 0.458 nan 8.270 nan 0.000 0.436 334 H N -2.373 116.560 119.070 -0.229 0.000 2.451 334 H HA 0.098 4.647 4.556 -0.010 0.000 0.294 334 H C -0.202 174.837 175.328 -0.481 0.000 1.028 334 H CA 0.321 56.171 56.048 -0.330 0.000 1.349 334 H CB 0.257 29.778 29.762 -0.402 0.000 1.444 334 H HN 0.064 nan 8.280 nan 0.000 0.538 335 Y N 0.600 120.683 120.300 -0.362 0.000 2.304 335 Y HA 0.094 4.639 4.550 -0.009 0.000 0.328 335 Y C 1.336 177.045 175.900 -0.318 0.000 1.123 335 Y CA -0.309 57.541 58.100 -0.416 0.000 1.218 335 Y CB 1.622 39.645 38.460 -0.729 0.000 1.207 335 Y HN 0.073 nan 8.280 nan 0.000 0.495 336 S N 2.264 117.925 115.700 -0.066 0.000 2.327 336 S HA 0.117 4.581 4.470 -0.010 0.000 0.213 336 S C 0.567 175.149 174.600 -0.029 0.000 1.032 336 S CA 0.540 58.712 58.200 -0.047 0.000 0.960 336 S CB 0.052 63.242 63.200 -0.018 0.000 0.900 336 S HN 0.517 nan 8.310 nan 0.000 0.469 337 R N 0.503 120.993 120.500 -0.017 0.000 2.604 337 R HA 0.600 4.934 4.340 -0.010 0.000 0.287 337 R C -1.544 174.697 176.300 -0.098 0.000 0.970 337 R CA -0.624 55.447 56.100 -0.048 0.000 0.946 337 R CB 1.517 31.767 30.300 -0.084 0.000 1.127 337 R HN 0.136 nan 8.270 nan 0.000 0.473 338 L N 2.108 123.270 121.223 -0.101 0.000 2.415 338 L HA 0.328 4.662 4.340 -0.010 0.000 0.268 338 L C -0.984 175.757 176.870 -0.214 0.000 0.984 338 L CA -0.167 54.620 54.840 -0.089 0.000 0.853 338 L CB 1.656 43.755 42.059 0.067 0.000 1.215 338 L HN 0.566 nan 8.230 nan 0.000 0.419 339 E N 5.293 125.266 120.200 -0.379 0.000 2.277 339 E HA 0.616 4.960 4.350 -0.010 0.000 0.274 339 E C -0.933 175.598 176.600 -0.115 0.000 1.022 339 E CA -0.440 55.640 56.400 -0.533 0.000 0.853 339 E CB 2.336 31.635 29.700 -0.667 0.000 1.086 339 E HN 0.507 nan 8.360 nan 0.000 0.397 340 I N 1.449 121.988 120.570 -0.052 0.000 2.619 340 I HA 0.241 4.405 4.170 -0.010 0.000 0.292 340 I C -1.206 174.853 176.117 -0.097 0.000 1.100 340 I CA -0.858 60.387 61.300 -0.091 0.000 1.043 340 I CB 1.972 39.981 38.000 0.014 0.000 1.239 340 I HN 0.562 nan 8.210 nan 0.000 0.420 341 C N 6.734 125.844 119.300 -0.317 0.000 2.301 341 C HA 0.522 4.976 4.460 -0.010 0.000 0.323 341 C C -0.508 174.354 174.990 -0.215 0.000 1.265 341 C CA -0.606 58.282 59.018 -0.217 0.000 1.503 341 C CB -0.351 27.246 27.740 -0.238 0.000 2.195 341 C HN 0.678 nan 8.230 nan 0.000 0.477 342 N N 5.058 123.659 118.700 -0.166 0.000 2.473 342 N HA 0.334 5.069 4.740 -0.010 0.000 0.291 342 N C 0.426 175.823 175.510 -0.188 0.000 1.083 342 N CA -0.444 52.500 53.050 -0.176 0.000 0.951 342 N CB 1.511 39.886 38.487 -0.188 0.000 1.164 342 N HN 0.666 nan 8.380 nan 0.000 0.480 343 L N 0.089 121.221 121.223 -0.152 0.000 2.645 343 L HA 0.080 4.415 4.340 -0.010 0.000 0.235 343 L C 0.328 177.095 176.870 -0.172 0.000 1.150 343 L CA 0.366 55.130 54.840 -0.126 0.000 0.911 343 L CB -0.953 41.078 42.059 -0.047 0.000 1.077 343 L HN 0.559 nan 8.230 nan 0.000 0.438 344 T N -5.683 108.705 114.554 -0.277 0.000 2.843 344 T HA 0.334 4.678 4.350 -0.010 0.000 0.302 344 T C -2.536 171.786 174.700 -0.631 0.000 1.232 344 T CA -1.364 60.489 62.100 -0.411 0.000 1.009 344 T CB 1.965 70.647 68.868 -0.309 0.000 1.254 344 T HN -0.367 nan 8.240 nan 0.000 0.504 345 P HA 0.116 nan 4.420 nan 0.000 0.237 345 P C -0.177 176.616 177.300 -0.845 0.000 1.178 345 P CA 0.269 62.584 63.100 -1.309 0.000 0.766 345 P CB -0.072 30.168 31.700 -2.434 0.000 0.876 346 D N -0.021 120.074 120.400 -0.509 0.000 2.472 346 D HA -0.003 4.631 4.640 -0.010 0.000 0.237 346 D C 0.587 176.780 176.300 -0.179 0.000 1.141 346 D CA 1.036 54.950 54.000 -0.144 0.000 0.875 346 D CB 0.718 41.388 40.800 -0.218 0.000 1.192 346 D HN -0.010 nan 8.370 nan 0.000 0.450 347 T N 0.870 115.381 114.554 -0.071 0.000 2.928 347 T HA 0.333 4.677 4.350 -0.010 0.000 0.284 347 T C 1.352 176.019 174.700 -0.055 0.000 1.008 347 T CA -0.711 61.353 62.100 -0.061 0.000 1.057 347 T CB 0.669 69.528 68.868 -0.016 0.000 1.018 347 T HN 0.251 nan 8.240 nan 0.000 0.493 348 L N 2.821 124.022 121.223 -0.036 0.000 2.477 348 L HA 0.141 4.475 4.340 -0.010 0.000 0.220 348 L C 2.870 179.733 176.870 -0.011 0.000 1.106 348 L CA 0.522 55.340 54.840 -0.037 0.000 0.851 348 L CB -0.650 41.383 42.059 -0.043 0.000 0.994 348 L HN 0.819 nan 8.230 nan 0.000 0.462 349 T N -2.487 112.076 114.554 0.014 0.000 2.746 349 T HA -0.188 4.156 4.350 -0.010 0.000 0.267 349 T C 1.184 175.894 174.700 0.017 0.000 1.039 349 T CA 0.494 62.607 62.100 0.023 0.000 1.142 349 T CB -0.788 68.107 68.868 0.045 0.000 0.866 349 T HN 0.360 nan 8.240 nan 0.000 0.444 350 C N 1.942 121.251 119.300 0.016 0.000 2.657 350 C HA 0.261 4.715 4.460 -0.010 0.000 0.404 350 C C 0.981 175.982 174.990 0.017 0.000 1.291 350 C CA -0.454 58.577 59.018 0.021 0.000 2.218 350 C CB -0.314 27.442 27.740 0.028 0.000 2.687 350 C HN 0.514 nan 8.230 nan 0.000 0.634 351 D N 1.271 121.691 120.400 0.033 0.000 2.469 351 D HA 0.134 4.768 4.640 -0.010 0.000 0.215 351 D C -0.086 176.270 176.300 0.093 0.000 1.154 351 D CA 0.348 54.378 54.000 0.050 0.000 0.832 351 D CB 0.487 41.312 40.800 0.040 0.000 1.008 351 D HN 0.737 nan 8.370 nan 0.000 0.506 352 S N -0.132 115.625 115.700 0.095 0.000 2.521 352 S HA 0.437 4.901 4.470 -0.010 0.000 0.295 352 S C -0.493 174.215 174.600 0.180 0.000 1.098 352 S CA -0.812 57.483 58.200 0.159 0.000 0.999 352 S CB 1.442 64.707 63.200 0.107 0.000 1.034 352 S HN -0.096 nan 8.310 nan 0.000 0.483 353 Y N 1.998 122.328 120.300 0.050 0.000 2.497 353 Y HA 0.351 4.895 4.550 -0.011 0.000 0.334 353 Y C 1.093 177.035 175.900 0.070 0.000 1.199 353 Y CA 0.292 58.440 58.100 0.080 0.000 1.425 353 Y CB 0.613 39.112 38.460 0.066 0.000 1.291 353 Y HN 0.506 nan 8.280 nan 0.000 0.562 354 K N 2.584 123.105 120.400 0.202 0.000 2.350 354 K HA 0.446 4.760 4.320 -0.010 0.000 0.241 354 K C -0.733 175.815 176.600 -0.086 0.000 0.994 354 K CA -1.127 55.152 56.287 -0.014 0.000 0.839 354 K CB 2.300 34.678 32.500 -0.204 0.000 1.244 354 K HN 0.523 nan 8.250 nan 0.000 0.443 355 K N 0.849 121.087 120.400 -0.270 0.000 2.110 355 K HA 0.388 4.702 4.320 -0.010 0.000 0.263 355 K C -0.916 175.417 176.600 -0.446 0.000 0.975 355 K CA -0.420 55.763 56.287 -0.174 0.000 0.895 355 K CB 0.997 33.477 32.500 -0.033 0.000 1.060 355 K HN 0.455 nan 8.250 nan 0.000 0.448 356 W N 2.022 123.394 121.300 0.121 0.000 3.132 356 W HA 0.272 4.925 4.660 -0.011 0.000 0.337 356 W C -0.357 176.284 176.519 0.203 0.000 1.082 356 W CA -0.717 56.726 57.345 0.164 0.000 1.242 356 W CB 1.387 30.931 29.460 0.140 0.000 1.354 356 W HN 0.349 nan 8.180 nan 0.000 0.461 357 K N 2.714 123.375 120.400 0.435 0.000 2.098 357 K HA 0.684 4.998 4.320 -0.010 0.000 0.261 357 K C -1.288 175.520 176.600 0.348 0.000 0.987 357 K CA -0.691 55.786 56.287 0.317 0.000 0.916 357 K CB 1.204 33.825 32.500 0.202 0.000 1.039 357 K HN 0.560 nan 8.250 nan 0.000 0.455 358 L N 2.541 123.884 121.223 0.201 0.000 2.333 358 L HA 0.424 4.758 4.340 -0.010 0.000 0.280 358 L C -1.367 175.480 176.870 -0.038 0.000 1.004 358 L CA 0.107 54.936 54.840 -0.017 0.000 0.820 358 L CB 1.981 44.018 42.059 -0.038 0.000 1.247 358 L HN 0.645 nan 8.230 nan 0.000 0.416 359 T N 3.751 118.241 114.554 -0.107 0.000 2.786 359 T HA 0.524 4.868 4.350 -0.010 0.000 0.283 359 T C -0.490 174.150 174.700 -0.100 0.000 0.992 359 T CA -0.744 61.322 62.100 -0.056 0.000 0.954 359 T CB 1.127 69.986 68.868 -0.016 0.000 0.934 359 T HN 0.479 nan 8.240 nan 0.000 0.440 360 K N 3.517 123.882 120.400 -0.058 0.000 2.207 360 K HA 0.767 5.081 4.320 -0.010 0.000 0.255 360 K C -0.514 176.055 176.600 -0.052 0.000 0.941 360 K CA -0.827 55.421 56.287 -0.065 0.000 0.825 360 K CB 1.714 34.194 32.500 -0.033 0.000 1.119 360 K HN 0.634 nan 8.250 nan 0.000 0.430 361 M N 1.182 120.722 119.600 -0.101 0.000 2.274 361 M HA 0.281 4.755 4.480 -0.010 0.000 0.272 361 M C -1.773 174.416 176.300 -0.185 0.000 1.053 361 M CA -1.089 54.144 55.300 -0.111 0.000 0.978 361 M CB 1.790 34.284 32.600 -0.176 0.000 1.836 361 M HN 0.456 nan 8.290 nan 0.000 0.484 362 D N 1.171 121.473 120.400 -0.162 0.000 2.384 362 D HA 0.931 5.565 4.640 -0.010 0.000 0.250 362 D C 0.002 176.043 176.300 -0.432 0.000 1.029 362 D CA -0.465 53.335 54.000 -0.332 0.000 0.990 362 D CB 1.826 42.434 40.800 -0.320 0.000 1.175 362 D HN 0.914 nan 8.370 nan 0.000 0.532 363 G N -0.950 107.204 108.800 -1.078 0.000 2.559 363 G HA2 0.524 4.479 3.960 -0.010 0.000 0.291 363 G HA3 0.524 4.479 3.960 -0.010 0.000 0.291 363 G C -1.768 172.292 174.900 -1.399 0.000 1.424 363 G CA -1.143 43.325 45.100 -1.054 0.000 0.786 363 G HN 0.540 nan 8.290 nan 0.000 0.485 364 N N -0.416 117.878 118.700 -0.676 0.000 2.238 364 N HA 0.560 5.294 4.740 -0.010 0.000 0.302 364 N C -1.067 174.339 175.510 -0.175 0.000 1.072 364 N CA -0.733 52.060 53.050 -0.428 0.000 0.792 364 N CB 1.887 40.255 38.487 -0.198 0.000 1.425 364 N HN 0.486 nan 8.380 nan 0.000 0.478 365 W N 1.031 122.430 121.300 0.165 0.000 2.390 365 W HA 0.552 5.206 4.660 -0.010 0.000 0.312 365 W C 0.127 176.648 176.519 0.003 0.000 1.123 365 W CA -0.402 56.982 57.345 0.066 0.000 1.202 365 W CB 1.026 30.502 29.460 0.026 0.000 1.251 365 W HN 0.346 nan 8.180 nan 0.000 0.511 366 R N 1.859 122.470 120.500 0.184 0.000 2.515 366 R HA 0.211 4.545 4.340 -0.010 0.000 0.291 366 R C -0.114 176.215 176.300 0.048 0.000 1.046 366 R CA -0.852 55.305 56.100 0.095 0.000 0.914 366 R CB 1.573 31.904 30.300 0.053 0.000 1.191 366 R HN 0.434 nan 8.270 nan 0.000 0.435 367 R N 2.358 122.886 120.500 0.045 0.000 2.486 367 R HA 0.114 4.448 4.340 -0.010 0.000 0.303 367 R C 0.235 176.557 176.300 0.037 0.000 0.958 367 R CA 2.118 58.246 56.100 0.046 0.000 1.077 367 R CB 0.076 30.419 30.300 0.070 0.000 0.921 367 R HN 0.944 nan 8.270 nan 0.000 0.406 368 G N 1.857 110.676 108.800 0.032 0.000 2.391 368 G HA2 -0.312 3.642 3.960 -0.010 0.000 0.204 368 G HA3 -0.312 3.642 3.960 -0.010 0.000 0.204 368 G C 0.473 175.354 174.900 -0.031 0.000 1.012 368 G CA 0.300 45.408 45.100 0.012 0.000 0.651 368 G HN 0.682 nan 8.290 nan 0.000 0.494 369 S N -1.284 114.385 115.700 -0.051 0.000 3.313 369 S HA 0.249 4.713 4.470 -0.010 0.000 0.247 369 S C 1.820 176.342 174.600 -0.131 0.000 1.058 369 S CA 1.738 59.891 58.200 -0.079 0.000 0.794 369 S CB 0.111 63.287 63.200 -0.041 0.000 0.842 369 S HN 1.233 nan 8.310 nan 0.000 0.526 370 T N -0.155 114.355 114.554 -0.073 0.000 2.985 370 T HA 0.565 4.909 4.350 -0.010 0.000 0.254 370 T C 0.663 175.368 174.700 0.009 0.000 1.021 370 T CA 0.333 62.401 62.100 -0.053 0.000 0.957 370 T CB 0.075 68.962 68.868 0.031 0.000 1.047 370 T HN 0.552 nan 8.240 nan 0.000 0.511 371 A N 1.404 124.202 122.820 -0.036 0.000 2.544 371 A HA 0.660 4.974 4.320 -0.010 0.000 0.301 371 A C 1.504 178.863 177.584 -0.375 0.000 1.368 371 A CA -0.095 51.857 52.037 -0.142 0.000 1.045 371 A CB -0.487 18.441 19.000 -0.119 0.000 1.129 371 A HN 0.494 nan 8.150 nan 0.000 0.540 372 G N 1.487 110.048 108.800 -0.398 0.000 2.656 372 G HA2 0.465 4.419 3.960 -0.010 0.000 0.211 372 G HA3 0.465 4.419 3.960 -0.010 0.000 0.211 372 G C 0.972 175.625 174.900 -0.411 0.000 1.137 372 G CA 0.655 45.500 45.100 -0.425 0.000 0.802 372 G HN 2.014 nan 8.290 nan 0.000 0.527 373 G N -1.081 107.448 108.800 -0.451 0.000 2.814 373 G HA2 0.019 3.974 3.960 -0.010 0.000 0.677 373 G HA3 0.019 3.974 3.960 -0.010 0.000 0.677 373 G C 0.426 175.272 174.900 -0.091 0.000 1.429 373 G CA -0.284 44.574 45.100 -0.403 0.000 0.868 373 G HN 1.442 nan 8.290 nan 0.000 0.553 374 C N -0.226 118.981 119.300 -0.157 0.000 2.470 374 C HA 0.812 5.266 4.460 -0.010 0.000 0.350 374 C C 2.161 176.893 174.990 -0.429 0.000 1.341 374 C CA 0.275 59.189 59.018 -0.172 0.000 2.440 374 C CB 1.137 28.550 27.740 -0.545 0.000 2.295 374 C HN 1.307 nan 8.230 nan 0.000 0.645 375 R N 1.204 121.120 120.500 -0.973 0.000 2.226 375 R HA -0.134 4.200 4.340 -0.010 0.000 0.246 375 R C 1.537 177.488 176.300 -0.582 0.000 1.161 375 R CA 1.952 57.356 56.100 -1.160 0.000 0.997 375 R CB -1.173 28.602 30.300 -0.876 0.000 0.870 375 R HN 0.836 nan 8.270 nan 0.000 0.465 376 N N -0.666 117.683 118.700 -0.585 0.000 2.513 376 N HA -0.159 4.575 4.740 -0.010 0.000 0.187 376 N C -0.511 174.506 175.510 -0.823 0.000 1.056 376 N CA 0.942 53.569 53.050 -0.706 0.000 0.907 376 N CB -0.001 37.914 38.487 -0.952 0.000 0.954 376 N HN 0.339 nan 8.380 nan 0.000 0.445 377 Y N -0.459 119.659 120.300 -0.302 0.000 2.837 377 Y HA 0.303 4.847 4.550 -0.010 0.000 0.356 377 Y C -1.624 174.250 175.900 -0.044 0.000 1.035 377 Y CA -1.999 56.003 58.100 -0.163 0.000 1.165 377 Y CB 1.535 39.882 38.460 -0.188 0.000 1.147 377 Y HN -0.008 nan 8.280 nan 0.000 0.628 378 P HA -0.102 nan 4.420 nan 0.000 0.223 378 P C 0.634 178.134 177.300 0.334 0.000 1.151 378 P CA 1.193 64.418 63.100 0.209 0.000 0.787 378 P CB 0.561 32.339 31.700 0.130 0.000 0.788 379 N N -0.304 118.552 118.700 0.259 0.000 2.348 379 N HA -0.097 4.637 4.740 -0.010 0.000 0.185 379 N C 1.495 177.235 175.510 0.383 0.000 1.019 379 N CA 2.034 55.277 53.050 0.322 0.000 0.880 379 N CB -0.670 37.947 38.487 0.217 0.000 0.965 379 N HN 0.350 nan 8.380 nan 0.000 0.437 380 T N -4.189 110.465 114.554 0.166 0.000 2.964 380 T HA 0.102 4.446 4.350 -0.010 0.000 0.249 380 T C 1.551 176.021 174.700 -0.383 0.000 1.000 380 T CA -0.421 61.556 62.100 -0.205 0.000 0.992 380 T CB -0.606 68.096 68.868 -0.276 0.000 1.087 380 T HN 0.028 nan 8.240 nan 0.000 0.489 381 F N 3.503 123.321 119.950 -0.220 0.000 2.135 381 F HA -0.179 4.342 4.527 -0.010 0.000 0.300 381 F C 1.720 177.301 175.800 -0.366 0.000 1.074 381 F CA 1.570 59.405 58.000 -0.276 0.000 1.262 381 F CB -0.533 38.345 39.000 -0.204 0.000 1.013 381 F HN 0.551 nan 8.300 nan 0.000 0.489 382 W N 0.895 122.009 121.300 -0.310 0.000 3.310 382 W HA 0.087 4.742 4.660 -0.010 0.000 0.259 382 W C 0.838 177.254 176.519 -0.172 0.000 1.324 382 W CA 0.670 57.835 57.345 -0.301 0.000 1.636 382 W CB -1.767 27.744 29.460 0.085 0.000 1.104 382 W HN 0.344 nan 8.180 nan 0.000 0.722 383 M N -0.634 118.453 119.600 -0.854 0.000 2.416 383 M HA 0.339 4.813 4.480 -0.010 0.000 0.337 383 M C -0.264 175.746 176.300 -0.483 0.000 1.074 383 M CA -0.179 54.654 55.300 -0.780 0.000 0.968 383 M CB -0.433 31.422 32.600 -1.241 0.000 1.472 383 M HN -0.325 nan 8.290 nan 0.000 0.539 384 N N 3.157 121.586 118.700 -0.452 0.000 2.317 384 N HA 0.381 5.115 4.740 -0.010 0.000 0.245 384 N C -2.566 172.703 175.510 -0.401 0.000 1.294 384 N CA -0.790 52.098 53.050 -0.269 0.000 0.924 384 N CB 0.267 38.600 38.487 -0.256 0.000 1.186 384 N HN 0.069 nan 8.380 nan 0.000 0.495 385 P HA 0.219 nan 4.420 nan 0.000 0.278 385 P C -0.756 176.224 177.300 -0.534 0.000 1.238 385 P CA -0.068 62.560 63.100 -0.786 0.000 0.794 385 P CB 0.830 32.409 31.700 -0.203 0.000 0.955 386 Q N 0.921 120.323 119.800 -0.662 0.000 2.351 386 Q HA 0.600 4.934 4.340 -0.010 0.000 0.273 386 Q C -1.254 174.447 176.000 -0.500 0.000 1.077 386 Q CA -0.568 55.071 55.803 -0.274 0.000 0.843 386 Q CB 1.867 30.588 28.738 -0.030 0.000 1.367 386 Q HN 0.417 nan 8.270 nan 0.000 0.449 387 Y N 0.178 120.567 120.300 0.148 0.000 2.401 387 Y HA 0.257 4.802 4.550 -0.009 0.000 0.330 387 Y C -0.667 175.289 175.900 0.093 0.000 1.071 387 Y CA -0.828 57.345 58.100 0.122 0.000 1.049 387 Y CB 1.291 39.809 38.460 0.095 0.000 1.239 387 Y HN 0.376 nan 8.280 nan 0.000 0.437 388 L N 4.782 126.122 121.223 0.194 0.000 2.452 388 L HA 0.414 4.748 4.340 -0.010 0.000 0.267 388 L C -0.481 176.458 176.870 0.114 0.000 1.188 388 L CA 0.083 54.997 54.840 0.125 0.000 0.821 388 L CB 0.887 42.990 42.059 0.073 0.000 1.102 388 L HN 0.708 nan 8.230 nan 0.000 0.470 389 I N 4.214 124.838 120.570 0.089 0.000 2.531 389 I HA 0.171 4.336 4.170 -0.010 0.000 0.283 389 I C -0.380 175.759 176.117 0.035 0.000 1.083 389 I CA -0.586 60.731 61.300 0.029 0.000 1.071 389 I CB 1.636 39.609 38.000 -0.045 0.000 1.210 389 I HN 0.390 nan 8.210 nan 0.000 0.450 390 K N 6.068 126.472 120.400 0.006 0.000 2.263 390 K HA 0.388 4.702 4.320 -0.010 0.000 0.282 390 K C -0.918 175.670 176.600 -0.019 0.000 1.089 390 K CA -0.842 55.450 56.287 0.008 0.000 0.907 390 K CB 1.109 33.605 32.500 -0.006 0.000 1.148 390 K HN 0.314 nan 8.250 nan 0.000 0.470 391 L N 3.231 124.458 121.223 0.007 0.000 2.265 391 L HA 0.279 4.614 4.340 -0.010 0.000 0.288 391 L C 0.406 177.290 176.870 0.023 0.000 1.058 391 L CA 0.028 54.858 54.840 -0.017 0.000 0.809 391 L CB 0.825 42.856 42.059 -0.047 0.000 1.179 391 L HN 0.513 nan 8.230 nan 0.000 0.429 392 E N 0.920 121.123 120.200 0.004 0.000 2.212 392 E HA 0.174 4.519 4.350 -0.010 0.000 0.270 392 E C 0.530 177.138 176.600 0.014 0.000 0.956 392 E CA -0.444 55.954 56.400 -0.004 0.000 0.825 392 E CB 1.652 31.325 29.700 -0.045 0.000 1.167 392 E HN 0.535 nan 8.360 nan 0.000 0.400 393 E N 2.116 122.325 120.200 0.016 0.000 2.065 393 E HA -0.291 4.054 4.350 -0.010 0.000 0.201 393 E C 1.330 177.954 176.600 0.040 0.000 1.016 393 E CA 2.317 58.736 56.400 0.031 0.000 0.818 393 E CB 0.029 29.746 29.700 0.029 0.000 0.749 393 E HN 0.614 nan 8.360 nan 0.000 0.453 394 E N -0.305 119.925 120.200 0.049 0.000 2.478 394 E HA -0.138 4.207 4.350 -0.010 0.000 0.198 394 E C 0.519 177.154 176.600 0.059 0.000 1.046 394 E CA 0.984 57.427 56.400 0.071 0.000 0.870 394 E CB -0.030 29.750 29.700 0.133 0.000 0.818 394 E HN 0.310 nan 8.360 nan 0.000 0.527 395 D N 1.315 121.739 120.400 0.040 0.000 2.350 395 D HA 0.036 4.670 4.640 -0.010 0.000 0.213 395 D C 0.109 176.423 176.300 0.025 0.000 1.031 395 D CA 0.079 54.094 54.000 0.025 0.000 0.861 395 D CB 0.047 40.857 40.800 0.017 0.000 0.926 395 D HN 0.262 nan 8.370 nan 0.000 0.520 396 E N 1.407 121.629 120.200 0.037 0.000 2.502 396 E HA 0.075 4.419 4.350 -0.010 0.000 0.261 396 E C -0.303 176.316 176.600 0.032 0.000 0.974 396 E CA 0.513 56.939 56.400 0.043 0.000 0.936 396 E CB 0.503 30.231 29.700 0.047 0.000 0.926 396 E HN 0.268 nan 8.360 nan 0.000 0.459 397 D N 0.841 121.261 120.400 0.033 0.000 2.566 397 D HA 0.146 4.780 4.640 -0.010 0.000 0.254 397 D C -0.219 176.102 176.300 0.034 0.000 1.090 397 D CA -0.653 53.362 54.000 0.026 0.000 1.034 397 D CB 0.968 41.775 40.800 0.012 0.000 1.434 397 D HN 0.280 nan 8.370 nan 0.000 0.509 398 D N -1.219 119.199 120.400 0.030 0.000 2.433 398 D HA 0.050 4.685 4.640 -0.010 0.000 0.211 398 D C -0.102 176.216 176.300 0.031 0.000 1.114 398 D CA -0.277 53.742 54.000 0.033 0.000 0.837 398 D CB -0.141 40.676 40.800 0.029 0.000 0.984 398 D HN 0.510 nan 8.370 nan 0.000 0.505 399 E N 1.033 121.250 120.200 0.028 0.000 2.641 399 E HA -0.136 4.208 4.350 -0.010 0.000 0.272 399 E C -0.210 176.409 176.600 0.032 0.000 0.990 399 E CA 0.821 57.238 56.400 0.028 0.000 0.971 399 E CB 0.262 29.978 29.700 0.026 0.000 0.967 399 E HN -0.010 nan 8.360 nan 0.000 0.464 400 D N 0.907 121.325 120.400 0.030 0.000 3.012 400 D HA -0.246 4.388 4.640 -0.010 0.000 0.222 400 D C 0.674 176.993 176.300 0.031 0.000 1.167 400 D CA 1.608 55.627 54.000 0.031 0.000 0.854 400 D CB -1.209 39.611 40.800 0.033 0.000 1.107 400 D HN 0.796 nan 8.370 nan 0.000 0.421 401 G N -0.271 108.548 108.800 0.030 0.000 3.206 401 G HA2 -0.386 3.568 3.960 -0.010 0.000 0.217 401 G HA3 -0.386 3.568 3.960 -0.010 0.000 0.217 401 G C 0.231 175.152 174.900 0.035 0.000 1.350 401 G CA 0.397 45.515 45.100 0.030 0.000 0.836 401 G HN 0.628 nan 8.290 nan 0.000 0.548 402 E N 1.378 121.603 120.200 0.040 0.000 2.383 402 E HA 0.438 4.782 4.350 -0.010 0.000 0.264 402 E C 0.332 176.963 176.600 0.051 0.000 1.050 402 E CA -0.549 55.879 56.400 0.048 0.000 0.896 402 E CB 0.354 30.087 29.700 0.055 0.000 0.982 402 E HN 0.403 nan 8.360 nan 0.000 0.424 403 R N 2.724 123.257 120.500 0.055 0.000 2.215 403 R HA 0.469 4.803 4.340 -0.010 0.000 0.336 403 R C -0.495 175.847 176.300 0.071 0.000 0.996 403 R CA -0.023 56.110 56.100 0.056 0.000 0.847 403 R CB 0.878 31.208 30.300 0.050 0.000 1.127 403 R HN 0.674 nan 8.270 nan 0.000 0.465 404 G N 1.717 110.564 108.800 0.077 0.000 2.500 404 G HA2 0.212 4.167 3.960 -0.010 0.000 0.299 404 G HA3 0.212 4.167 3.960 -0.010 0.000 0.299 404 G C -1.536 173.423 174.900 0.098 0.000 1.242 404 G CA -0.479 44.678 45.100 0.096 0.000 0.859 404 G HN 0.570 nan 8.290 nan 0.000 0.481 405 C N 1.237 120.613 119.300 0.127 0.000 2.251 405 C HA 0.676 5.130 4.460 -0.010 0.000 0.323 405 C C 0.765 175.911 174.990 0.260 0.000 1.241 405 C CA -0.482 58.621 59.018 0.142 0.000 1.601 405 C CB -0.251 27.552 27.740 0.105 0.000 2.251 405 C HN 0.653 nan 8.230 nan 0.000 0.488 406 T N 4.656 119.342 114.554 0.220 0.000 2.888 406 T HA 0.431 4.776 4.350 -0.010 0.000 0.301 406 T C -0.344 174.644 174.700 0.480 0.000 1.001 406 T CA 0.700 62.971 62.100 0.285 0.000 1.147 406 T CB -0.106 68.866 68.868 0.174 0.000 0.931 406 T HN 0.667 nan 8.240 nan 0.000 0.541 407 F N 1.870 121.988 119.950 0.279 0.000 2.713 407 F HA 0.791 5.312 4.527 -0.009 0.000 0.311 407 F C -2.503 173.508 175.800 0.353 0.000 1.141 407 F CA -1.885 56.326 58.000 0.351 0.000 0.939 407 F CB 0.846 39.994 39.000 0.246 0.000 1.325 407 F HN 0.240 nan 8.300 nan 0.000 0.453 408 L N 2.527 123.927 121.223 0.295 0.000 2.410 408 L HA 0.754 5.089 4.340 -0.010 0.000 0.270 408 L C -0.869 176.149 176.870 0.247 0.000 0.983 408 L CA -0.751 54.163 54.840 0.124 0.000 0.822 408 L CB 2.011 44.132 42.059 0.103 0.000 1.285 408 L HN 0.674 nan 8.230 nan 0.000 0.409 409 V N 1.324 121.371 119.914 0.223 0.000 2.581 409 V HA 0.908 5.022 4.120 -0.010 0.000 0.303 409 V C 0.212 176.344 176.094 0.062 0.000 1.041 409 V CA -0.493 61.847 62.300 0.067 0.000 0.907 409 V CB 1.880 33.582 31.823 -0.202 0.000 0.994 409 V HN 0.825 nan 8.190 nan 0.000 0.442 410 G N 3.867 112.662 108.800 -0.008 0.000 2.782 410 G HA2 0.569 4.523 3.960 -0.010 0.000 0.280 410 G HA3 0.569 4.523 3.960 -0.010 0.000 0.280 410 G C -1.684 173.234 174.900 0.029 0.000 1.526 410 G CA -0.394 44.748 45.100 0.071 0.000 1.083 410 G HN 0.579 nan 8.290 nan 0.000 0.552 411 L N 3.612 124.889 121.223 0.091 0.000 2.307 411 L HA 0.891 5.225 4.340 -0.010 0.000 0.284 411 L C -0.683 176.251 176.870 0.107 0.000 1.023 411 L CA -1.107 53.779 54.840 0.077 0.000 0.810 411 L CB 1.418 43.566 42.059 0.147 0.000 1.231 411 L HN 0.510 nan 8.230 nan 0.000 0.423 412 I N 3.959 124.591 120.570 0.104 0.000 2.607 412 I HA 0.345 4.510 4.170 -0.010 0.000 0.290 412 I C -1.070 175.077 176.117 0.049 0.000 1.129 412 I CA -0.450 60.911 61.300 0.101 0.000 1.042 412 I CB 1.850 39.937 38.000 0.145 0.000 1.242 412 I HN 0.702 nan 8.210 nan 0.000 0.421 413 Q N 6.947 126.777 119.800 0.050 0.000 2.293 413 Q HA 0.271 4.605 4.340 -0.010 0.000 0.263 413 Q C -0.875 174.949 176.000 -0.292 0.000 1.002 413 Q CA -0.328 55.476 55.803 0.001 0.000 0.910 413 Q CB 0.903 29.702 28.738 0.102 0.000 1.185 413 Q HN 0.463 nan 8.270 nan 0.000 0.401 414 K N 1.464 121.544 120.400 -0.534 0.000 2.270 414 K HA 0.095 4.410 4.320 -0.010 0.000 0.276 414 K C -0.272 175.970 176.600 -0.597 0.000 1.023 414 K CA -0.323 55.248 56.287 -1.194 0.000 0.955 414 K CB 0.387 32.239 32.500 -1.080 0.000 0.975 414 K HN 0.662 nan 8.250 nan 0.000 0.471 415 H N -0.257 118.611 119.070 -0.337 0.000 2.884 415 H HA -0.201 4.349 4.556 -0.009 0.000 0.289 415 H C 1.185 176.495 175.328 -0.029 0.000 1.142 415 H CA 0.436 56.464 56.048 -0.033 0.000 1.158 415 H CB -0.891 28.844 29.762 -0.046 0.000 1.325 415 H HN 0.482 nan 8.280 nan 0.000 0.366 416 R N 1.055 121.577 120.500 0.037 0.000 2.115 416 R HA 0.019 4.353 4.340 -0.010 0.000 0.230 416 R C 2.281 178.584 176.300 0.005 0.000 1.111 416 R CA 1.680 57.785 56.100 0.009 0.000 0.976 416 R CB -0.096 30.195 30.300 -0.015 0.000 0.870 416 R HN 0.429 nan 8.270 nan 0.000 0.445 417 R N -0.366 120.152 120.500 0.030 0.000 2.237 417 R HA -0.003 4.331 4.340 -0.010 0.000 0.219 417 R C 1.553 177.863 176.300 0.017 0.000 1.080 417 R CA 1.180 57.293 56.100 0.021 0.000 0.995 417 R CB 0.084 30.403 30.300 0.032 0.000 0.875 417 R HN 0.118 nan 8.270 nan 0.000 0.462 418 R N -0.952 119.564 120.500 0.026 0.000 2.246 418 R HA 0.017 4.351 4.340 -0.010 0.000 0.199 418 R C 1.229 177.500 176.300 -0.050 0.000 0.984 418 R CA 0.492 56.593 56.100 0.001 0.000 1.015 418 R CB 0.313 30.626 30.300 0.022 0.000 0.930 418 R HN 0.116 nan 8.270 nan 0.000 0.475 419 Q N -0.054 119.717 119.800 -0.048 0.000 2.373 419 Q HA 0.086 4.420 4.340 -0.010 0.000 0.206 419 Q C 1.308 177.226 176.000 -0.136 0.000 0.942 419 Q CA 0.302 56.057 55.803 -0.080 0.000 0.953 419 Q CB 0.261 28.971 28.738 -0.046 0.000 1.022 419 Q HN 0.097 nan 8.270 nan 0.000 0.502 420 R N 0.091 120.491 120.500 -0.166 0.000 2.148 420 R HA -0.047 4.287 4.340 -0.010 0.000 0.223 420 R C 1.330 177.296 176.300 -0.556 0.000 1.088 420 R CA 0.895 56.864 56.100 -0.218 0.000 0.985 420 R CB 0.264 30.519 30.300 -0.074 0.000 0.880 420 R HN 0.132 nan 8.270 nan 0.000 0.451 421 K N 0.332 120.293 120.400 -0.732 0.000 2.020 421 K HA -0.231 4.083 4.320 -0.010 0.000 0.212 421 K C 2.017 178.347 176.600 -0.449 0.000 1.050 421 K CA 2.170 57.901 56.287 -0.926 0.000 0.929 421 K CB -0.241 31.976 32.500 -0.472 0.000 0.714 421 K HN 0.203 nan 8.250 nan 0.000 0.443 422 M N -0.888 118.565 119.600 -0.245 0.000 2.539 422 M HA -0.043 4.432 4.480 -0.010 0.000 0.261 422 M C 1.041 177.289 176.300 -0.087 0.000 1.069 422 M CA 2.096 57.324 55.300 -0.121 0.000 1.081 422 M CB 0.362 32.916 32.600 -0.076 0.000 1.412 422 M HN 0.327 nan 8.290 nan 0.000 0.482 423 G N -0.553 108.175 108.800 -0.120 0.000 2.376 423 G HA2 -0.221 3.734 3.960 -0.010 0.000 0.208 423 G HA3 -0.221 3.734 3.960 -0.010 0.000 0.208 423 G C 0.011 174.888 174.900 -0.038 0.000 1.032 423 G CA 0.079 45.154 45.100 -0.042 0.000 0.641 423 G HN 0.541 nan 8.290 nan 0.000 0.503 424 E N 1.681 121.845 120.200 -0.059 0.000 2.442 424 E HA 0.441 4.785 4.350 -0.010 0.000 0.260 424 E C 0.384 176.928 176.600 -0.093 0.000 1.148 424 E CA 1.162 57.516 56.400 -0.077 0.000 0.976 424 E CB 0.397 30.044 29.700 -0.088 0.000 0.967 424 E HN 0.663 nan 8.360 nan 0.000 0.454 425 D N -0.734 119.583 120.400 -0.138 0.000 2.921 425 D HA 0.171 4.806 4.640 -0.010 0.000 0.329 425 D C -0.833 175.352 176.300 -0.192 0.000 1.293 425 D CA -0.772 53.155 54.000 -0.121 0.000 0.964 425 D CB 0.061 40.819 40.800 -0.070 0.000 1.435 425 D HN 0.098 nan 8.370 nan 0.000 0.548 426 M N 1.559 121.086 119.600 -0.121 0.000 2.390 426 M HA 0.081 4.555 4.480 -0.010 0.000 0.353 426 M C 0.360 176.618 176.300 -0.070 0.000 1.623 426 M CA 0.466 55.715 55.300 -0.084 0.000 1.065 426 M CB -0.979 31.593 32.600 -0.047 0.000 2.025 426 M HN 0.353 nan 8.290 nan 0.000 0.461 427 H N 1.868 120.963 119.070 0.041 0.000 2.465 427 H HA 0.194 4.744 4.556 -0.010 0.000 0.367 427 H C 0.007 175.346 175.328 0.018 0.000 1.737 427 H CA 0.425 56.490 56.048 0.029 0.000 1.447 427 H CB 0.481 30.264 29.762 0.035 0.000 1.620 427 H HN 0.434 nan 8.280 nan 0.000 0.587 428 T N 2.725 117.390 114.554 0.185 0.000 2.821 428 T HA 0.434 4.778 4.350 -0.010 0.000 0.307 428 T C 0.484 175.294 174.700 0.182 0.000 1.034 428 T CA -0.529 61.643 62.100 0.120 0.000 0.953 428 T CB -0.409 68.501 68.868 0.069 0.000 0.968 428 T HN 0.392 nan 8.240 nan 0.000 0.462 429 I N -0.076 120.567 120.570 0.122 0.000 2.957 429 I HA 1.046 5.211 4.170 -0.010 0.000 0.310 429 I C 0.137 176.063 176.117 -0.319 0.000 1.063 429 I CA -1.049 60.273 61.300 0.038 0.000 1.033 429 I CB 2.385 40.438 38.000 0.087 0.000 1.230 429 I HN 0.696 nan 8.210 nan 0.000 0.447 430 G N 2.007 110.421 108.800 -0.644 0.000 2.316 430 G HA2 0.502 4.456 3.960 -0.010 0.000 0.296 430 G HA3 0.502 4.456 3.960 -0.010 0.000 0.296 430 G C -1.623 172.725 174.900 -0.920 0.000 1.399 430 G CA -0.613 43.613 45.100 -1.456 0.000 0.833 430 G HN 1.147 nan 8.290 nan 0.000 0.565 431 F N -1.771 117.849 119.950 -0.549 0.000 2.711 431 F HA 0.931 5.453 4.527 -0.010 0.000 0.313 431 F C 0.100 175.931 175.800 0.052 0.000 1.141 431 F CA -0.757 57.196 58.000 -0.079 0.000 0.941 431 F CB 1.467 40.454 39.000 -0.022 0.000 1.349 431 F HN 1.143 nan 8.300 nan 0.000 0.464 432 G N 0.577 109.678 108.800 0.502 0.000 2.660 432 G HA2 0.724 4.678 3.960 -0.010 0.000 0.294 432 G HA3 0.724 4.678 3.960 -0.010 0.000 0.294 432 G C -2.166 172.947 174.900 0.356 0.000 1.369 432 G CA -1.048 44.258 45.100 0.344 0.000 0.912 432 G HN 0.775 nan 8.290 nan 0.000 0.479 433 I N 0.507 121.135 120.570 0.096 0.000 2.498 433 I HA 0.405 4.570 4.170 -0.010 0.000 0.290 433 I C -1.166 174.950 176.117 -0.002 0.000 1.032 433 I CA -0.766 60.624 61.300 0.149 0.000 1.073 433 I CB 2.088 40.110 38.000 0.036 0.000 1.251 433 I HN 0.427 nan 8.210 nan 0.000 0.426 434 Y N 3.029 123.536 120.300 0.344 0.000 2.468 434 Y HA 0.397 4.941 4.550 -0.009 0.000 0.342 434 Y C 0.105 176.204 175.900 0.332 0.000 1.021 434 Y CA -0.861 57.456 58.100 0.362 0.000 1.079 434 Y CB 1.544 40.273 38.460 0.448 0.000 1.226 434 Y HN 0.455 nan 8.280 nan 0.000 0.460 435 E N 2.107 122.541 120.200 0.389 0.000 2.180 435 E HA 0.273 4.617 4.350 -0.010 0.000 0.283 435 E C -0.800 175.845 176.600 0.075 0.000 1.061 435 E CA -0.616 55.834 56.400 0.083 0.000 0.861 435 E CB 0.811 30.562 29.700 0.085 0.000 1.056 435 E HN 0.522 nan 8.360 nan 0.000 0.407 436 V N 4.739 124.600 119.914 -0.088 0.000 2.585 436 V HA 0.266 4.380 4.120 -0.010 0.000 0.296 436 V C -2.143 173.906 176.094 -0.075 0.000 1.035 436 V CA -1.483 60.754 62.300 -0.105 0.000 1.084 436 V CB 0.381 32.115 31.823 -0.149 0.000 0.953 436 V HN 0.595 nan 8.190 nan 0.000 0.483 437 P HA 0.154 nan 4.420 nan 0.000 0.268 437 P C 0.377 177.660 177.300 -0.029 0.000 1.205 437 P CA -0.088 63.025 63.100 0.022 0.000 0.771 437 P CB 0.569 32.323 31.700 0.091 0.000 0.858 438 E N 1.482 121.667 120.200 -0.024 0.000 2.515 438 E HA -0.156 4.188 4.350 -0.010 0.000 0.201 438 E C 0.629 177.209 176.600 -0.033 0.000 1.071 438 E CA 0.615 56.993 56.400 -0.036 0.000 0.880 438 E CB -0.275 29.409 29.700 -0.027 0.000 0.828 438 E HN 0.489 nan 8.360 nan 0.000 0.540 439 E N 0.772 120.954 120.200 -0.030 0.000 2.460 439 E HA 0.056 4.400 4.350 -0.010 0.000 0.200 439 E C 1.832 178.408 176.600 -0.041 0.000 1.011 439 E CA 0.035 56.417 56.400 -0.028 0.000 0.912 439 E CB 0.044 29.732 29.700 -0.019 0.000 0.953 439 E HN 0.354 nan 8.360 nan 0.000 0.494 440 L N 1.061 122.249 121.223 -0.057 0.000 2.298 440 L HA -0.004 4.330 4.340 -0.010 0.000 0.209 440 L C 1.987 178.819 176.870 -0.064 0.000 1.084 440 L CA 0.919 55.716 54.840 -0.072 0.000 0.816 440 L CB -0.639 41.353 42.059 -0.112 0.000 0.967 440 L HN 0.021 nan 8.230 nan 0.000 0.460 441 T N 0.395 114.910 114.554 -0.065 0.000 2.780 441 T HA -0.309 4.035 4.350 -0.010 0.000 0.255 441 T C 1.296 175.970 174.700 -0.043 0.000 1.065 441 T CA 1.790 63.856 62.100 -0.056 0.000 1.155 441 T CB -0.805 68.032 68.868 -0.051 0.000 0.837 441 T HN 0.562 nan 8.240 nan 0.000 0.479 442 G N 1.357 110.134 108.800 -0.037 0.000 3.574 442 G HA2 0.453 4.407 3.960 -0.010 0.000 0.262 442 G HA3 0.453 4.407 3.960 -0.010 0.000 0.262 442 G C -0.248 174.634 174.900 -0.031 0.000 1.231 442 G CA -0.252 44.830 45.100 -0.031 0.000 1.608 442 G HN 0.500 nan 8.290 nan 0.000 0.628 443 Q N -1.274 118.505 119.800 -0.035 0.000 2.386 443 Q HA 0.309 4.644 4.340 -0.010 0.000 0.274 443 Q C 0.909 176.890 176.000 -0.031 0.000 1.011 443 Q CA -0.436 55.347 55.803 -0.033 0.000 0.867 443 Q CB 1.813 30.528 28.738 -0.038 0.000 1.409 443 Q HN 0.251 nan 8.270 nan 0.000 0.395 444 T N -1.862 112.676 114.554 -0.027 0.000 2.866 444 T HA -0.074 4.271 4.350 -0.010 0.000 0.250 444 T C 0.956 175.642 174.700 -0.025 0.000 1.033 444 T CA 1.217 63.303 62.100 -0.024 0.000 1.145 444 T CB -0.328 68.526 68.868 -0.024 0.000 0.866 444 T HN 0.704 nan 8.240 nan 0.000 0.434 445 N N 2.027 120.714 118.700 -0.023 0.000 2.585 445 N HA 0.036 4.770 4.740 -0.010 0.000 0.213 445 N C 0.170 175.680 175.510 0.000 0.000 1.385 445 N CA -0.088 52.951 53.050 -0.017 0.000 0.871 445 N CB -1.130 37.349 38.487 -0.014 0.000 1.154 445 N HN 0.710 nan 8.380 nan 0.000 0.474 446 I N 0.702 121.269 120.570 -0.006 0.000 2.278 446 I HA 0.090 4.254 4.170 -0.010 0.000 0.296 446 I C -0.525 175.606 176.117 0.023 0.000 1.121 446 I CA -0.561 60.726 61.300 -0.022 0.000 1.267 446 I CB 0.019 37.986 38.000 -0.055 0.000 1.447 446 I HN 0.336 nan 8.210 nan 0.000 0.509 447 H N 7.809 126.829 119.070 -0.083 0.000 2.569 447 H HA 0.449 5.000 4.556 -0.010 0.000 0.357 447 H C -1.572 173.663 175.328 -0.156 0.000 1.153 447 H CA -0.945 55.068 56.048 -0.058 0.000 1.193 447 H CB 2.117 31.891 29.762 0.019 0.000 1.602 447 H HN 0.538 nan 8.280 nan 0.000 0.523 448 L N 4.237 124.988 121.223 -0.786 0.000 2.272 448 L HA 0.147 4.481 4.340 -0.010 0.000 0.289 448 L C 0.876 177.292 176.870 -0.755 0.000 1.032 448 L CA -0.632 53.687 54.840 -0.868 0.000 0.810 448 L CB 1.506 42.953 42.059 -1.021 0.000 1.205 448 L HN 0.637 nan 8.230 nan 0.000 0.422 449 S N 2.706 118.097 115.700 -0.515 0.000 2.584 449 S HA 0.045 4.509 4.470 -0.010 0.000 0.270 449 S C 1.094 175.668 174.600 -0.043 0.000 1.346 449 S CA -0.280 57.778 58.200 -0.236 0.000 1.018 449 S CB 1.180 64.287 63.200 -0.154 0.000 0.899 449 S HN 0.762 nan 8.310 nan 0.000 0.542 450 K N 1.436 121.799 120.400 -0.062 0.000 2.020 450 K HA -0.210 4.104 4.320 -0.010 0.000 0.212 450 K C 1.601 178.257 176.600 0.093 0.000 1.050 450 K CA 2.073 58.359 56.287 -0.001 0.000 0.929 450 K CB -0.435 31.723 32.500 -0.570 0.000 0.714 450 K HN 0.680 nan 8.250 nan 0.000 0.443 451 N N 0.091 118.773 118.700 -0.031 0.000 2.289 451 N HA -0.147 4.588 4.740 -0.010 0.000 0.184 451 N C 1.415 176.915 175.510 -0.016 0.000 1.016 451 N CA 0.834 53.876 53.050 -0.014 0.000 0.872 451 N CB -0.315 38.144 38.487 -0.047 0.000 0.973 451 N HN 0.233 nan 8.380 nan 0.000 0.433 452 F N 0.673 120.498 119.950 -0.208 0.000 2.075 452 F HA -0.141 4.380 4.527 -0.010 0.000 0.297 452 F C 1.564 177.193 175.800 -0.284 0.000 1.113 452 F CA 1.409 59.216 58.000 -0.322 0.000 1.218 452 F CB -0.431 38.245 39.000 -0.539 0.000 0.984 452 F HN -0.082 nan 8.300 nan 0.000 0.472 453 F N 0.288 120.325 119.950 0.145 0.000 2.494 453 F HA -0.102 4.419 4.527 -0.010 0.000 0.298 453 F C 1.800 177.625 175.800 0.042 0.000 1.106 453 F CA 0.582 58.648 58.000 0.110 0.000 1.452 453 F CB -0.625 38.562 39.000 0.311 0.000 1.085 453 F HN 0.001 nan 8.300 nan 0.000 0.569 454 L N -0.876 120.423 121.223 0.127 0.000 2.509 454 L HA 0.001 4.335 4.340 -0.010 0.000 0.222 454 L C 1.454 178.308 176.870 -0.027 0.000 1.123 454 L CA 0.814 55.689 54.840 0.058 0.000 0.856 454 L CB -0.393 41.693 42.059 0.044 0.000 0.985 454 L HN 0.065 nan 8.230 nan 0.000 0.456 455 T N -2.687 111.794 114.554 -0.122 0.000 3.044 455 T HA 0.122 4.466 4.350 -0.010 0.000 0.260 455 T C 0.413 174.989 174.700 -0.207 0.000 1.019 455 T CA 0.055 62.059 62.100 -0.160 0.000 0.921 455 T CB 0.275 69.033 68.868 -0.183 0.000 1.053 455 T HN 0.145 nan 8.240 nan 0.000 0.533 456 T N 1.385 115.800 114.554 -0.232 0.000 2.949 456 T HA 0.514 4.859 4.350 -0.010 0.000 0.300 456 T C -0.354 174.398 174.700 0.087 0.000 0.988 456 T CA -0.927 61.071 62.100 -0.171 0.000 0.993 456 T CB 1.985 70.573 68.868 -0.465 0.000 0.984 456 T HN 0.036 nan 8.240 nan 0.000 0.442 457 R N 1.504 122.039 120.500 0.058 0.000 2.679 457 R HA 0.510 4.844 4.340 -0.010 0.000 0.268 457 R C 0.886 177.205 176.300 0.032 0.000 1.044 457 R CA -0.275 55.864 56.100 0.065 0.000 1.105 457 R CB 0.348 30.656 30.300 0.013 0.000 0.989 457 R HN 0.879 nan 8.270 nan 0.000 0.447 458 A N 1.858 124.583 122.820 -0.158 0.000 2.483 458 A HA -0.018 4.296 4.320 -0.010 0.000 0.238 458 A C 1.063 178.527 177.584 -0.201 0.000 1.070 458 A CA -0.035 51.671 52.037 -0.551 0.000 0.770 458 A CB 0.516 19.180 19.000 -0.561 0.000 1.008 458 A HN 0.763 nan 8.150 nan 0.000 0.497 459 R N -0.038 120.374 120.500 -0.146 0.000 2.112 459 R HA 0.157 4.491 4.340 -0.010 0.000 0.216 459 R C 0.156 176.457 176.300 0.001 0.000 1.080 459 R CA 1.454 57.562 56.100 0.013 0.000 0.996 459 R CB 0.096 30.488 30.300 0.152 0.000 0.902 459 R HN 0.798 nan 8.270 nan 0.000 0.449 460 E N -0.527 119.642 120.200 -0.052 0.000 2.454 460 E HA 0.383 4.728 4.350 -0.010 0.000 0.279 460 E C -1.187 175.366 176.600 -0.078 0.000 1.029 460 E CA -0.730 55.638 56.400 -0.052 0.000 0.831 460 E CB 2.368 32.003 29.700 -0.108 0.000 1.405 460 E HN 0.287 nan 8.360 nan 0.000 0.463 461 R N -1.688 118.805 120.500 -0.012 0.000 2.709 461 R HA 0.423 4.758 4.340 -0.010 0.000 0.270 461 R C -0.677 175.627 176.300 0.006 0.000 1.038 461 R CA -0.747 55.359 56.100 0.009 0.000 0.872 461 R CB 0.348 30.654 30.300 0.010 0.000 1.259 461 R HN 0.515 nan 8.270 nan 0.000 0.473 462 S N 0.155 115.593 115.700 -0.437 0.000 2.569 462 S HA -0.042 4.423 4.470 -0.010 0.000 0.274 462 S C 0.296 174.748 174.600 -0.247 0.000 1.353 462 S CA 0.290 58.125 58.200 -0.608 0.000 1.023 462 S CB 0.701 63.097 63.200 -1.339 0.000 0.876 462 S HN 0.698 nan 8.310 nan 0.000 0.540 463 D N 1.323 121.599 120.400 -0.205 0.000 2.127 463 D HA -0.018 4.616 4.640 -0.010 0.000 0.190 463 D C 1.342 177.598 176.300 -0.073 0.000 1.000 463 D CA 2.411 56.340 54.000 -0.118 0.000 0.839 463 D CB -0.063 40.656 40.800 -0.136 0.000 0.955 463 D HN 0.917 nan 8.370 nan 0.000 0.446 464 T N -4.017 110.480 114.554 -0.095 0.000 2.618 464 T HA 0.494 4.838 4.350 -0.010 0.000 0.293 464 T C -0.799 173.944 174.700 0.072 0.000 1.093 464 T CA -0.943 61.184 62.100 0.045 0.000 1.061 464 T CB 0.497 69.367 68.868 0.003 0.000 1.498 464 T HN -0.063 nan 8.240 nan 0.000 0.494 465 F N 0.475 120.347 119.950 -0.131 0.000 2.415 465 F HA 0.740 5.262 4.527 -0.009 0.000 0.348 465 F C 0.125 175.808 175.800 -0.195 0.000 1.119 465 F CA -1.026 56.895 58.000 -0.132 0.000 1.069 465 F CB 1.433 40.426 39.000 -0.012 0.000 1.124 465 F HN 0.485 nan 8.300 nan 0.000 0.472 466 I N 3.437 123.991 120.570 -0.027 0.000 2.934 466 I HA 0.298 4.462 4.170 -0.010 0.000 0.306 466 I C -0.211 175.877 176.117 -0.048 0.000 1.110 466 I CA -0.891 60.365 61.300 -0.073 0.000 1.019 466 I CB 1.921 39.842 38.000 -0.131 0.000 1.227 466 I HN 0.609 nan 8.210 nan 0.000 0.434 467 N N 6.948 125.623 118.700 -0.042 0.000 2.484 467 N HA 0.126 4.860 4.740 -0.010 0.000 0.245 467 N C -0.798 174.689 175.510 -0.037 0.000 1.184 467 N CA -0.130 52.909 53.050 -0.018 0.000 0.884 467 N CB -0.419 38.062 38.487 -0.010 0.000 1.182 467 N HN 0.448 nan 8.380 nan 0.000 0.493 468 L N 0.080 121.258 121.223 -0.075 0.000 2.418 468 L HA 0.298 4.633 4.340 -0.010 0.000 0.265 468 L C 2.020 178.859 176.870 -0.051 0.000 1.143 468 L CA -0.708 54.075 54.840 -0.095 0.000 0.809 468 L CB 1.169 43.090 42.059 -0.231 0.000 1.124 468 L HN 0.119 nan 8.230 nan 0.000 0.456 469 R N 0.821 121.300 120.500 -0.035 0.000 2.096 469 R HA -0.062 4.273 4.340 -0.010 0.000 0.235 469 R C 0.411 176.732 176.300 0.034 0.000 1.127 469 R CA 1.180 57.286 56.100 0.011 0.000 0.968 469 R CB 0.285 30.596 30.300 0.018 0.000 0.861 469 R HN 0.693 nan 8.270 nan 0.000 0.440 470 E N 0.338 120.539 120.200 0.001 0.000 2.234 470 E HA 0.199 4.543 4.350 -0.010 0.000 0.266 470 E C -1.796 174.750 176.600 -0.091 0.000 0.877 470 E CA -0.637 55.767 56.400 0.007 0.000 0.758 470 E CB 2.212 31.946 29.700 0.057 0.000 1.170 470 E HN 0.005 nan 8.360 nan 0.000 0.415 471 V N 6.215 126.102 119.914 -0.045 0.000 2.384 471 V HA 0.656 4.770 4.120 -0.010 0.000 0.287 471 V C -1.532 174.594 176.094 0.053 0.000 1.020 471 V CA -0.539 61.697 62.300 -0.107 0.000 0.850 471 V CB 1.050 32.761 31.823 -0.186 0.000 0.987 471 V HN 0.566 nan 8.190 nan 0.000 0.436 472 L N 4.701 125.908 121.223 -0.027 0.000 2.470 472 L HA 0.764 5.098 4.340 -0.010 0.000 0.268 472 L C -1.144 175.686 176.870 -0.067 0.000 0.964 472 L CA -0.276 54.600 54.840 0.060 0.000 0.839 472 L CB 1.728 43.811 42.059 0.040 0.000 1.276 472 L HN 0.686 nan 8.230 nan 0.000 0.403 473 N N 1.889 120.549 118.700 -0.066 0.000 2.380 473 N HA 0.774 5.509 4.740 -0.010 0.000 0.290 473 N C -1.349 173.710 175.510 -0.752 0.000 1.236 473 N CA -1.077 51.723 53.050 -0.416 0.000 0.780 473 N CB 1.738 39.906 38.487 -0.532 0.000 1.438 473 N HN 0.742 nan 8.380 nan 0.000 0.491 474 R N 0.243 120.262 120.500 -0.801 0.000 2.474 474 R HA 0.631 4.965 4.340 -0.010 0.000 0.295 474 R C -1.239 174.428 176.300 -1.055 0.000 0.980 474 R CA -0.444 55.211 56.100 -0.741 0.000 0.934 474 R CB 0.756 30.857 30.300 -0.333 0.000 1.101 474 R HN 0.360 nan 8.270 nan 0.000 0.469 475 F N 0.131 119.830 119.950 -0.420 0.000 2.640 475 F HA 0.551 5.073 4.527 -0.009 0.000 0.324 475 F C -0.090 175.589 175.800 -0.200 0.000 1.077 475 F CA -1.155 56.592 58.000 -0.423 0.000 0.965 475 F CB 2.487 40.993 39.000 -0.825 0.000 1.351 475 F HN 0.361 nan 8.300 nan 0.000 0.487 476 K N 2.313 122.844 120.400 0.218 0.000 2.656 476 K HA 0.626 4.941 4.320 -0.010 0.000 0.253 476 K C -2.034 174.709 176.600 0.238 0.000 1.002 476 K CA -0.232 56.202 56.287 0.246 0.000 0.880 476 K CB 1.354 33.944 32.500 0.149 0.000 1.232 476 K HN 0.598 nan 8.250 nan 0.000 0.456 477 L N 3.566 124.944 121.223 0.258 0.000 2.309 477 L HA 0.643 4.978 4.340 -0.010 0.000 0.261 477 L C -2.361 174.592 176.870 0.138 0.000 1.021 477 L CA -2.634 52.290 54.840 0.141 0.000 0.823 477 L CB 2.048 44.076 42.059 -0.052 0.000 1.366 477 L HN 0.447 nan 8.230 nan 0.000 0.423 478 P HA 0.110 nan 4.420 nan 0.000 0.269 478 P C -2.530 174.900 177.300 0.217 0.000 1.215 478 P CA -0.964 62.241 63.100 0.174 0.000 0.780 478 P CB -0.263 31.537 31.700 0.168 0.000 0.898 479 P HA 0.186 nan 4.420 nan 0.000 0.265 479 P C 0.201 177.587 177.300 0.143 0.000 1.193 479 P CA 0.790 63.969 63.100 0.132 0.000 0.765 479 P CB 0.385 32.128 31.700 0.073 0.000 0.823 480 G N 1.921 110.809 108.800 0.146 0.000 2.327 480 G HA2 0.149 4.103 3.960 -0.010 0.000 0.291 480 G HA3 0.149 4.103 3.960 -0.010 0.000 0.291 480 G C -1.859 173.004 174.900 -0.063 0.000 1.290 480 G CA -0.702 44.387 45.100 -0.019 0.000 0.857 480 G HN 0.425 nan 8.290 nan 0.000 0.520 481 E N -0.621 119.416 120.200 -0.272 0.000 2.191 481 E HA 0.655 4.999 4.350 -0.010 0.000 0.278 481 E C -1.551 174.813 176.600 -0.393 0.000 0.972 481 E CA -0.399 55.890 56.400 -0.185 0.000 0.804 481 E CB 1.835 31.460 29.700 -0.125 0.000 1.110 481 E HN 0.417 nan 8.360 nan 0.000 0.394 482 Y N 0.145 120.436 120.300 -0.015 0.000 2.504 482 Y HA 0.351 4.895 4.550 -0.009 0.000 0.344 482 Y C -0.723 175.215 175.900 0.064 0.000 1.023 482 Y CA -1.075 57.041 58.100 0.025 0.000 1.020 482 Y CB 1.575 40.019 38.460 -0.026 0.000 1.282 482 Y HN 0.202 nan 8.280 nan 0.000 0.454 483 V N 4.146 124.237 119.914 0.295 0.000 2.427 483 V HA 0.378 4.492 4.120 -0.010 0.000 0.286 483 V C -0.687 175.615 176.094 0.346 0.000 1.034 483 V CA -0.736 61.723 62.300 0.264 0.000 0.893 483 V CB 1.535 33.468 31.823 0.184 0.000 0.982 483 V HN 0.546 nan 8.190 nan 0.000 0.452 484 L N 6.470 127.870 121.223 0.295 0.000 2.282 484 L HA 0.631 4.966 4.340 -0.010 0.000 0.288 484 L C -0.381 176.688 176.870 0.332 0.000 1.033 484 L CA 0.212 55.221 54.840 0.282 0.000 0.807 484 L CB 1.577 43.742 42.059 0.176 0.000 1.209 484 L HN 0.460 nan 8.230 nan 0.000 0.423 485 V N 7.447 127.579 119.914 0.363 0.000 2.305 485 V HA 0.458 4.572 4.120 -0.010 0.000 0.275 485 V C -2.182 174.104 176.094 0.319 0.000 1.020 485 V CA -1.167 61.310 62.300 0.295 0.000 0.811 485 V CB 0.894 32.858 31.823 0.235 0.000 1.031 485 V HN 0.715 nan 8.190 nan 0.000 0.439 486 P HA 0.617 nan 4.420 nan 0.000 0.284 486 P C -0.536 176.950 177.300 0.310 0.000 1.258 486 P CA -0.147 63.084 63.100 0.218 0.000 0.824 486 P CB 1.997 33.628 31.700 -0.116 0.000 1.038 487 S N -0.268 115.569 115.700 0.229 0.000 2.627 487 S HA 0.443 4.908 4.470 -0.010 0.000 0.268 487 S C -0.652 173.701 174.600 -0.413 0.000 1.130 487 S CA -0.710 57.366 58.200 -0.207 0.000 0.819 487 S CB 0.545 63.784 63.200 0.064 0.000 1.100 487 S HN 0.354 nan 8.310 nan 0.000 0.465 488 T N 1.131 115.251 114.554 -0.723 0.000 2.897 488 T HA 0.486 4.831 4.350 -0.010 0.000 0.278 488 T C 0.666 175.331 174.700 -0.059 0.000 0.981 488 T CA -0.451 61.421 62.100 -0.379 0.000 0.973 488 T CB 0.562 69.066 68.868 -0.606 0.000 1.092 488 T HN 0.542 nan 8.240 nan 0.000 0.543 489 F N 0.799 120.668 119.950 -0.135 0.000 2.098 489 F HA 0.091 4.613 4.527 -0.009 0.000 0.294 489 F C 1.279 176.927 175.800 -0.253 0.000 1.107 489 F CA 0.999 58.813 58.000 -0.309 0.000 1.234 489 F CB 0.236 39.091 39.000 -0.242 0.000 1.002 489 F HN 0.523 nan 8.300 nan 0.000 0.472 490 E N 2.153 122.265 120.200 -0.146 0.000 2.301 490 E HA 0.156 4.501 4.350 -0.010 0.000 0.275 490 E C -2.161 174.084 176.600 -0.591 0.000 1.030 490 E CA -2.197 53.934 56.400 -0.449 0.000 0.852 490 E CB 0.431 30.019 29.700 -0.186 0.000 1.060 490 E HN 0.068 nan 8.360 nan 0.000 0.401 491 P HA -0.030 nan 4.420 nan 0.000 0.282 491 P C -0.631 176.325 177.300 -0.573 0.000 1.286 491 P CA 0.054 62.659 63.100 -0.825 0.000 0.777 491 P CB 0.296 31.276 31.700 -1.200 0.000 1.184 492 H N -4.991 113.918 119.070 -0.268 0.000 3.366 492 H HA -0.124 4.427 4.556 -0.010 0.000 0.233 492 H C -0.131 175.112 175.328 -0.142 0.000 1.102 492 H CA 0.896 56.840 56.048 -0.174 0.000 1.184 492 H CB -1.952 27.725 29.762 -0.142 0.000 1.216 492 H HN 0.295 nan 8.280 nan 0.000 0.317 493 K N 2.300 122.596 120.400 -0.174 0.000 2.312 493 K HA 0.232 4.547 4.320 -0.010 0.000 0.287 493 K C 0.368 176.889 176.600 -0.131 0.000 1.062 493 K CA -0.250 55.906 56.287 -0.218 0.000 0.934 493 K CB 0.483 32.633 32.500 -0.584 0.000 1.027 493 K HN 0.251 nan 8.250 nan 0.000 0.478 494 N N 1.067 119.808 118.700 0.069 0.000 2.499 494 N HA 0.543 5.278 4.740 -0.010 0.000 0.281 494 N C 0.090 175.805 175.510 0.342 0.000 1.098 494 N CA 0.026 53.185 53.050 0.183 0.000 0.979 494 N CB 1.650 40.225 38.487 0.147 0.000 1.121 494 N HN 0.704 nan 8.380 nan 0.000 0.466 495 G N 0.946 109.960 108.800 0.357 0.000 2.429 495 G HA2 0.123 4.078 3.960 -0.010 0.000 0.300 495 G HA3 0.123 4.078 3.960 -0.010 0.000 0.300 495 G C -1.862 173.161 174.900 0.205 0.000 1.598 495 G CA -0.721 44.607 45.100 0.380 0.000 0.863 495 G HN 0.317 nan 8.290 nan 0.000 0.614 496 D N 0.171 120.581 120.400 0.017 0.000 2.225 496 D HA 0.733 5.367 4.640 -0.010 0.000 0.249 496 D C 0.075 176.195 176.300 -0.299 0.000 1.052 496 D CA 0.251 54.103 54.000 -0.247 0.000 0.909 496 D CB 1.525 42.194 40.800 -0.219 0.000 1.186 496 D HN 0.440 nan 8.370 nan 0.000 0.431 497 F N -0.896 118.754 119.950 -0.501 0.000 2.664 497 F HA 0.716 5.237 4.527 -0.010 0.000 0.317 497 F C -0.772 174.813 175.800 -0.359 0.000 1.108 497 F CA -1.375 56.353 58.000 -0.454 0.000 0.957 497 F CB 0.794 39.440 39.000 -0.590 0.000 1.365 497 F HN 0.443 nan 8.300 nan 0.000 0.475 498 C N 0.414 119.663 119.300 -0.085 0.000 2.994 498 C HA 0.891 5.345 4.460 -0.010 0.000 0.304 498 C C -0.919 174.085 174.990 0.024 0.000 1.273 498 C CA -1.120 57.849 59.018 -0.081 0.000 1.537 498 C CB 1.194 28.853 27.740 -0.135 0.000 2.001 498 C HN 0.916 nan 8.230 nan 0.000 0.471 499 I N 1.474 122.004 120.570 -0.067 0.000 2.465 499 I HA 0.495 4.659 4.170 -0.010 0.000 0.291 499 I C -0.144 175.902 176.117 -0.119 0.000 1.014 499 I CA -0.532 60.700 61.300 -0.113 0.000 1.093 499 I CB 1.642 39.495 38.000 -0.245 0.000 1.267 499 I HN 0.683 nan 8.210 nan 0.000 0.431 500 R N 4.640 125.079 120.500 -0.101 0.000 2.229 500 R HA 0.525 4.860 4.340 -0.010 0.000 0.332 500 R C -1.044 175.118 176.300 -0.229 0.000 0.989 500 R CA -0.463 55.510 56.100 -0.212 0.000 0.842 500 R CB 1.641 31.809 30.300 -0.221 0.000 1.119 500 R HN 0.351 nan 8.270 nan 0.000 0.456 501 V N 5.187 124.964 119.914 -0.229 0.000 2.370 501 V HA 0.336 4.450 4.120 -0.010 0.000 0.279 501 V C -0.590 175.430 176.094 -0.123 0.000 1.029 501 V CA -0.481 61.775 62.300 -0.073 0.000 0.870 501 V CB 0.730 32.573 31.823 0.034 0.000 0.984 501 V HN 0.536 nan 8.190 nan 0.000 0.451 502 F N 2.618 122.687 119.950 0.199 0.000 2.385 502 F HA 0.464 4.986 4.527 -0.008 0.000 0.360 502 F C 0.838 176.920 175.800 0.471 0.000 1.122 502 F CA -0.037 58.118 58.000 0.259 0.000 1.090 502 F CB 1.700 40.727 39.000 0.045 0.000 1.150 502 F HN 0.372 nan 8.300 nan 0.000 0.472 503 S N 2.519 118.595 115.700 0.625 0.000 2.508 503 S HA 0.190 4.654 4.470 -0.010 0.000 0.284 503 S C -0.239 174.603 174.600 0.403 0.000 1.192 503 S CA -0.767 57.719 58.200 0.477 0.000 1.070 503 S CB 0.961 64.308 63.200 0.246 0.000 1.004 503 S HN 0.637 nan 8.310 nan 0.000 0.493 504 E N 2.690 122.938 120.200 0.079 0.000 2.360 504 E HA 0.130 4.475 4.350 -0.010 0.000 0.269 504 E C -0.600 175.887 176.600 -0.187 0.000 1.022 504 E CA -0.038 56.078 56.400 -0.473 0.000 0.887 504 E CB 0.378 29.757 29.700 -0.535 0.000 0.990 504 E HN 0.269 nan 8.360 nan 0.000 0.426 505 K N 3.325 123.592 120.400 -0.221 0.000 2.435 505 K HA 0.363 4.678 4.320 -0.010 0.000 0.251 505 K C -1.200 175.363 176.600 -0.062 0.000 0.954 505 K CA -1.114 55.134 56.287 -0.064 0.000 0.820 505 K CB 1.831 34.343 32.500 0.019 0.000 1.292 505 K HN 0.235 nan 8.250 nan 0.000 0.436 506 K N 1.017 121.426 120.400 0.016 0.000 2.281 506 K HA 0.318 4.632 4.320 -0.010 0.000 0.272 506 K C -0.463 176.168 176.600 0.051 0.000 1.048 506 K CA -0.266 56.034 56.287 0.021 0.000 0.898 506 K CB 1.374 33.891 32.500 0.029 0.000 1.128 506 K HN 0.693 nan 8.250 nan 0.000 0.460 507 A N 3.404 126.238 122.820 0.023 0.000 3.093 507 A HA -0.034 4.281 4.320 -0.010 0.000 0.287 507 A C -0.007 177.576 177.584 -0.003 0.000 1.952 507 A CA 0.647 52.701 52.037 0.027 0.000 1.421 507 A CB -0.552 18.459 19.000 0.019 0.000 0.943 507 A HN 0.727 nan 8.150 nan 0.000 0.599 508 D N -1.294 119.097 120.400 -0.015 0.000 2.567 508 D HA 0.305 4.940 4.640 -0.010 0.000 0.268 508 D C -0.564 175.511 176.300 -0.375 0.000 1.448 508 D CA 0.323 54.212 54.000 -0.184 0.000 0.811 508 D CB 0.277 40.929 40.800 -0.247 0.000 1.192 508 D HN 0.530 nan 8.370 nan 0.000 0.488 509 Y N -0.370 119.943 120.300 0.022 0.000 2.974 509 Y HA 0.446 4.991 4.550 -0.010 0.000 0.310 509 Y C -0.308 175.614 175.900 0.037 0.000 1.551 509 Y CA -0.902 57.215 58.100 0.028 0.000 1.084 509 Y CB 0.807 39.284 38.460 0.028 0.000 1.446 509 Y HN -0.381 nan 8.280 nan 0.000 0.472 510 Q N -0.078 119.878 119.800 0.260 0.000 3.166 510 Q HA -0.177 4.157 4.340 -0.010 0.000 0.025 510 Q C -0.006 176.071 176.000 0.128 0.000 1.692 510 Q CA 1.488 57.389 55.803 0.164 0.000 0.233 510 Q CB -1.076 27.753 28.738 0.153 0.000 1.400 510 Q HN 1.063 nan 8.270 nan 0.000 0.320 511 T N -2.836 111.785 114.554 0.113 0.000 5.503 511 T HA -0.156 4.188 4.350 -0.010 0.000 0.269 511 T C 0.234 174.988 174.700 0.089 0.000 2.213 511 T CA 0.961 63.118 62.100 0.095 0.000 3.777 511 T CB -1.607 67.311 68.868 0.083 0.000 0.512 511 T HN 1.251 nan 8.240 nan 0.000 1.050 512 V N 0.702 120.674 119.914 0.097 0.000 2.427 512 V HA 0.717 4.831 4.120 -0.010 0.000 0.268 512 V C -0.686 175.450 176.094 0.070 0.000 1.046 512 V CA -0.330 62.021 62.300 0.084 0.000 0.970 512 V CB 1.238 33.117 31.823 0.093 0.000 1.001 512 V HN 0.190 nan 8.190 nan 0.000 0.476 513 D N 4.353 124.790 120.400 0.062 0.000 2.420 513 D HA 0.338 4.972 4.640 -0.010 0.000 0.255 513 D C -0.471 175.857 176.300 0.047 0.000 1.185 513 D CA -0.131 53.904 54.000 0.057 0.000 0.904 513 D CB 1.261 42.097 40.800 0.060 0.000 1.102 513 D HN 0.940 nan 8.370 nan 0.000 0.534 514 D N 1.157 121.582 120.400 0.042 0.000 2.563 514 D HA 0.161 4.795 4.640 -0.010 0.000 0.229 514 D C -0.039 176.283 176.300 0.036 0.000 1.159 514 D CA 0.183 54.205 54.000 0.036 0.000 0.869 514 D CB 0.456 41.276 40.800 0.033 0.000 1.203 514 D HN 0.411 nan 8.370 nan 0.000 0.478 515 E N -0.192 120.028 120.200 0.033 0.000 2.335 515 E HA 0.411 4.755 4.350 -0.010 0.000 0.280 515 E C -1.081 175.544 176.600 0.042 0.000 0.918 515 E CA -1.168 55.251 56.400 0.032 0.000 0.765 515 E CB 0.568 30.286 29.700 0.030 0.000 1.218 515 E HN 0.296 nan 8.360 nan 0.000 0.425 516 I N 1.715 122.312 120.570 0.045 0.000 2.849 516 I HA -0.154 4.011 4.170 -0.010 0.000 0.166 516 I C 0.012 176.232 176.117 0.173 0.000 0.912 516 I CA 1.422 62.784 61.300 0.103 0.000 2.688 516 I CB -0.876 37.148 38.000 0.041 0.000 0.657 516 I HN 0.643 nan 8.210 nan 0.000 0.356 517 E N 5.228 125.513 120.200 0.142 0.000 2.383 517 E HA 0.887 5.231 4.350 -0.010 0.000 0.275 517 E C -0.916 175.520 176.600 -0.273 0.000 0.918 517 E CA -0.497 55.939 56.400 0.060 0.000 0.764 517 E CB 1.910 31.608 29.700 -0.003 0.000 1.252 517 E HN 0.499 nan 8.360 nan 0.000 0.449 518 A N 2.582 125.089 122.820 -0.521 0.000 2.637 518 A HA 0.848 5.163 4.320 -0.010 0.000 0.258 518 A C -0.972 176.271 177.584 -0.569 0.000 1.250 518 A CA -0.567 50.898 52.037 -0.953 0.000 0.931 518 A CB 0.821 18.942 19.000 -1.464 0.000 1.488 518 A HN 0.668 nan 8.150 nan 0.000 0.464 519 N N -0.225 118.097 118.700 -0.630 0.000 3.304 519 N HA 0.207 4.941 4.740 -0.010 0.000 0.187 519 N C -0.495 174.812 175.510 -0.338 0.000 1.482 519 N CA -0.349 52.475 53.050 -0.378 0.000 0.785 519 N CB 0.460 38.771 38.487 -0.293 0.000 1.619 519 N HN 0.681 nan 8.380 nan 0.000 0.624 520 I N -1.365 119.048 120.570 -0.262 0.000 3.366 520 I HA 0.009 4.173 4.170 -0.010 0.000 0.283 520 I C 0.146 176.186 176.117 -0.130 0.000 1.290 520 I CA 0.918 62.117 61.300 -0.167 0.000 1.353 520 I CB 0.445 38.385 38.000 -0.100 0.000 1.343 520 I HN 0.524 nan 8.210 nan 0.000 0.607 521 E N 0.549 120.686 120.200 -0.104 0.000 3.521 521 E HA 0.092 4.436 4.350 -0.010 0.000 0.183 521 E C -0.839 175.719 176.600 -0.071 0.000 0.981 521 E CA -0.211 56.138 56.400 -0.085 0.000 1.349 521 E CB 0.399 30.044 29.700 -0.091 0.000 1.102 521 E HN 0.713 nan 8.360 nan 0.000 0.449 522 E N 0.995 121.158 120.200 -0.061 0.000 1.855 522 E HA 0.141 4.485 4.350 -0.010 0.000 0.259 522 E C -0.108 176.476 176.600 -0.027 0.000 1.229 522 E CA 0.196 56.569 56.400 -0.045 0.000 1.042 522 E CB 0.030 29.711 29.700 -0.032 0.000 1.079 522 E HN 0.086 nan 8.360 nan 0.000 0.434 523 I N 0.814 121.371 120.570 -0.022 0.000 3.445 523 I HA 0.288 4.452 4.170 -0.010 0.000 0.303 523 I C -0.741 175.398 176.117 0.037 0.000 1.129 523 I CA -1.293 60.008 61.300 0.002 0.000 0.989 523 I CB 1.425 39.425 38.000 -0.001 0.000 1.314 523 I HN 0.596 nan 8.210 nan 0.000 0.488 524 E N 0.824 121.051 120.200 0.046 0.000 2.346 524 E HA -0.096 4.248 4.350 -0.010 0.000 0.200 524 E C -0.909 175.720 176.600 0.047 0.000 1.331 524 E CA 0.454 56.898 56.400 0.073 0.000 0.668 524 E CB -1.530 28.294 29.700 0.207 0.000 1.157 524 E HN 0.699 nan 8.360 nan 0.000 0.393 525 A N 1.682 124.500 122.820 -0.002 0.000 2.274 525 A HA 0.746 5.061 4.320 -0.010 0.000 0.297 525 A C 0.451 177.992 177.584 -0.072 0.000 1.191 525 A CA 0.348 52.367 52.037 -0.031 0.000 0.889 525 A CB 0.453 19.444 19.000 -0.015 0.000 1.294 525 A HN 0.493 nan 8.150 nan 0.000 0.506 526 N N -1.526 117.131 118.700 -0.072 0.000 5.411 526 N HA -0.132 4.602 4.740 -0.010 0.000 0.369 526 N C 0.222 175.665 175.510 -0.112 0.000 1.223 526 N CA 0.854 53.860 53.050 -0.074 0.000 2.614 526 N CB -0.165 38.293 38.487 -0.050 0.000 0.550 526 N HN 0.664 nan 8.380 nan 0.000 0.736 527 E N 1.017 121.164 120.200 -0.088 0.000 2.150 527 E HA -0.183 4.162 4.350 -0.010 0.000 0.193 527 E C 1.482 178.030 176.600 -0.086 0.000 0.985 527 E CA 1.711 58.056 56.400 -0.093 0.000 0.814 527 E CB -0.228 29.439 29.700 -0.056 0.000 0.752 527 E HN 0.835 nan 8.360 nan 0.000 0.466 528 E N 1.067 121.229 120.200 -0.064 0.000 2.130 528 E HA -0.222 4.123 4.350 -0.010 0.000 0.196 528 E C 1.069 177.638 176.600 -0.052 0.000 0.998 528 E CA 1.509 57.881 56.400 -0.046 0.000 0.806 528 E CB -0.132 29.548 29.700 -0.033 0.000 0.738 528 E HN 0.163 nan 8.360 nan 0.000 0.459 529 D N 0.690 121.041 120.400 -0.082 0.000 2.277 529 D HA 0.151 4.785 4.640 -0.010 0.000 0.209 529 D C 1.243 177.444 176.300 -0.166 0.000 0.970 529 D CA 0.120 54.073 54.000 -0.078 0.000 0.874 529 D CB 0.235 41.001 40.800 -0.058 0.000 0.982 529 D HN 0.198 nan 8.370 nan 0.000 0.504 530 I N 0.883 121.256 120.570 -0.329 0.000 3.194 530 I HA 0.200 4.364 4.170 -0.010 0.000 0.283 530 I C 1.208 177.266 176.117 -0.097 0.000 1.199 530 I CA 0.001 61.004 61.300 -0.495 0.000 1.328 530 I CB 0.690 38.370 38.000 -0.533 0.000 1.404 530 I HN -0.140 nan 8.210 nan 0.000 0.618 531 G N 0.865 109.733 108.800 0.113 0.000 2.453 531 G HA2 0.260 4.215 3.960 -0.010 0.000 0.323 531 G HA3 0.260 4.215 3.960 -0.010 0.000 0.323 531 G C -0.210 174.719 174.900 0.047 0.000 1.198 531 G CA -0.342 44.812 45.100 0.089 0.000 0.959 531 G HN 0.581 nan 8.290 nan 0.000 0.482 532 D N 1.007 121.401 120.400 -0.010 0.000 2.310 532 D HA -0.038 4.596 4.640 -0.010 0.000 0.212 532 D C 2.369 178.657 176.300 -0.020 0.000 0.965 532 D CA 1.278 55.276 54.000 -0.004 0.000 0.879 532 D CB 0.036 40.829 40.800 -0.013 0.000 0.921 532 D HN 0.469 nan 8.370 nan 0.000 0.510 533 G N 0.145 108.879 108.800 -0.109 0.000 2.434 533 G HA2 -0.211 3.743 3.960 -0.010 0.000 0.214 533 G HA3 -0.211 3.743 3.960 -0.010 0.000 0.214 533 G C 1.473 176.332 174.900 -0.069 0.000 1.202 533 G CA 0.113 45.114 45.100 -0.164 0.000 0.788 533 G HN 0.246 nan 8.290 nan 0.000 0.539 534 F N 0.832 120.843 119.950 0.102 0.000 2.091 534 F HA -0.087 4.434 4.527 -0.010 0.000 0.299 534 F C 3.033 178.922 175.800 0.149 0.000 1.103 534 F CA 1.284 59.372 58.000 0.148 0.000 1.228 534 F CB -0.208 38.927 39.000 0.225 0.000 0.984 534 F HN -0.057 nan 8.300 nan 0.000 0.477 535 R N 0.346 120.995 120.500 0.249 0.000 2.096 535 R HA -0.172 4.163 4.340 -0.010 0.000 0.240 535 R C 2.340 178.755 176.300 0.191 0.000 1.139 535 R CA 1.669 57.877 56.100 0.179 0.000 0.952 535 R CB -0.414 29.941 30.300 0.091 0.000 0.854 535 R HN 0.329 nan 8.270 nan 0.000 0.436 536 R N -0.176 120.400 120.500 0.126 0.000 2.090 536 R HA -0.058 4.276 4.340 -0.010 0.000 0.228 536 R C 2.154 178.514 176.300 0.100 0.000 1.110 536 R CA 0.787 56.940 56.100 0.089 0.000 0.973 536 R CB -0.170 30.153 30.300 0.038 0.000 0.869 536 R HN 0.073 nan 8.270 nan 0.000 0.440 537 L N -0.251 121.051 121.223 0.131 0.000 2.240 537 L HA -0.062 4.272 4.340 -0.010 0.000 0.211 537 L C 1.856 178.807 176.870 0.136 0.000 1.106 537 L CA 1.137 56.042 54.840 0.109 0.000 0.793 537 L CB -0.527 41.597 42.059 0.107 0.000 0.927 537 L HN 0.041 nan 8.230 nan 0.000 0.446 538 F N 0.681 120.675 119.950 0.073 0.000 2.069 538 F HA -0.297 4.224 4.527 -0.010 0.000 0.298 538 F C 2.410 178.191 175.800 -0.031 0.000 1.113 538 F CA 1.551 59.569 58.000 0.031 0.000 1.214 538 F CB -0.687 38.380 39.000 0.111 0.000 0.978 538 F HN 0.081 nan 8.300 nan 0.000 0.474 539 A N -0.209 122.592 122.820 -0.032 0.000 1.927 539 A HA -0.324 3.990 4.320 -0.010 0.000 0.220 539 A C 2.040 179.515 177.584 -0.180 0.000 1.185 539 A CA 2.186 54.139 52.037 -0.141 0.000 0.639 539 A CB -1.034 17.960 19.000 -0.009 0.000 0.820 539 A HN 0.566 nan 8.150 nan 0.000 0.451 540 Q N -0.420 119.310 119.800 -0.116 0.000 1.948 540 Q HA -0.065 4.269 4.340 -0.010 0.000 0.205 540 Q C 2.131 178.031 176.000 -0.166 0.000 0.992 540 Q CA 1.850 57.587 55.803 -0.111 0.000 0.849 540 Q CB -0.456 28.242 28.738 -0.067 0.000 0.918 540 Q HN 0.665 nan 8.270 nan 0.000 0.421 541 L N -0.344 120.757 121.223 -0.204 0.000 2.141 541 L HA -0.155 4.179 4.340 -0.010 0.000 0.209 541 L C 2.217 178.913 176.870 -0.289 0.000 1.094 541 L CA 0.812 55.513 54.840 -0.231 0.000 0.763 541 L CB -0.575 41.327 42.059 -0.263 0.000 0.908 541 L HN 0.277 nan 8.230 nan 0.000 0.437 542 A N -0.262 122.305 122.820 -0.422 0.000 1.865 542 A HA 0.071 4.385 4.320 -0.010 0.000 0.217 542 A C 1.644 179.071 177.584 -0.262 0.000 1.191 542 A CA 1.608 53.385 52.037 -0.433 0.000 0.623 542 A CB -0.926 17.665 19.000 -0.681 0.000 0.826 542 A HN 0.520 nan 8.150 nan 0.000 0.444 543 G N -0.545 108.119 108.800 -0.226 0.000 2.528 543 G HA2 -0.374 3.581 3.960 -0.010 0.000 0.262 543 G HA3 -0.374 3.581 3.960 -0.010 0.000 0.262 543 G C 0.729 175.551 174.900 -0.130 0.000 1.200 543 G CA 0.988 45.999 45.100 -0.148 0.000 0.951 543 G HN 0.905 nan 8.290 nan 0.000 0.566 544 E N 0.630 120.773 120.200 -0.095 0.000 2.007 544 E HA -0.151 4.193 4.350 -0.010 0.000 0.194 544 E C 1.892 178.450 176.600 -0.071 0.000 0.999 544 E CA 1.680 58.036 56.400 -0.073 0.000 0.811 544 E CB -0.541 29.125 29.700 -0.057 0.000 0.762 544 E HN 0.724 nan 8.360 nan 0.000 0.450 545 D N 1.131 121.489 120.400 -0.069 0.000 2.411 545 D HA -0.136 4.498 4.640 -0.010 0.000 0.226 545 D C 1.232 177.498 176.300 -0.057 0.000 0.988 545 D CA 1.352 55.320 54.000 -0.053 0.000 0.938 545 D CB 0.297 41.071 40.800 -0.043 0.000 0.883 545 D HN 0.399 nan 8.370 nan 0.000 0.525 546 A N 0.123 122.885 122.820 -0.095 0.000 1.467 546 A HA -0.343 3.971 4.320 -0.010 0.000 0.224 546 A C 0.653 178.160 177.584 -0.128 0.000 0.419 546 A CA 1.573 53.543 52.037 -0.111 0.000 1.100 546 A CB -1.820 17.157 19.000 -0.038 0.000 1.463 546 A HN 0.490 nan 8.150 nan 0.000 0.719 547 E N -0.267 119.917 120.200 -0.026 0.000 2.349 547 E HA 0.525 4.869 4.350 -0.010 0.000 0.265 547 E C -0.392 176.181 176.600 -0.045 0.000 1.064 547 E CA -0.386 56.041 56.400 0.044 0.000 0.886 547 E CB 0.660 30.415 29.700 0.092 0.000 1.036 547 E HN 0.542 nan 8.360 nan 0.000 0.413 548 I N 2.684 123.235 120.570 -0.032 0.000 2.379 548 I HA -0.023 4.141 4.170 -0.010 0.000 0.290 548 I C 0.948 177.056 176.117 -0.015 0.000 1.063 548 I CA -0.073 61.160 61.300 -0.111 0.000 1.351 548 I CB 0.599 38.438 38.000 -0.268 0.000 1.410 548 I HN 0.449 nan 8.210 nan 0.000 0.505 549 S N 5.448 121.145 115.700 -0.004 0.000 2.606 549 S HA 0.279 4.744 4.470 -0.010 0.000 0.257 549 S C 1.320 175.972 174.600 0.087 0.000 1.327 549 S CA 0.032 58.269 58.200 0.061 0.000 0.984 549 S CB 1.324 64.575 63.200 0.085 0.000 0.941 549 S HN 0.683 nan 8.310 nan 0.000 0.576 550 A N 0.480 123.380 122.820 0.134 0.000 1.897 550 A HA 0.152 4.466 4.320 -0.010 0.000 0.215 550 A C 1.784 179.392 177.584 0.041 0.000 1.181 550 A CA 0.923 53.009 52.037 0.081 0.000 0.620 550 A CB -1.095 17.944 19.000 0.064 0.000 0.821 550 A HN 0.786 nan 8.150 nan 0.000 0.443 551 F N 0.418 120.373 119.950 0.008 0.000 2.293 551 F HA -0.064 4.457 4.527 -0.009 0.000 0.300 551 F C 2.341 178.136 175.800 -0.008 0.000 1.086 551 F CA 1.528 59.531 58.000 0.006 0.000 1.375 551 F CB -0.216 38.786 39.000 0.002 0.000 1.045 551 F HN 0.321 nan 8.300 nan 0.000 0.516 552 E N -0.137 120.147 120.200 0.141 0.000 2.072 552 E HA -0.183 4.161 4.350 -0.010 0.000 0.190 552 E C 2.091 178.691 176.600 -0.001 0.000 0.982 552 E CA 0.879 57.302 56.400 0.038 0.000 0.803 552 E CB -0.334 29.351 29.700 -0.025 0.000 0.755 552 E HN 0.256 nan 8.360 nan 0.000 0.453 553 L N 1.238 122.462 121.223 0.002 0.000 2.265 553 L HA -0.189 4.145 4.340 -0.010 0.000 0.215 553 L C 2.159 179.024 176.870 -0.009 0.000 1.117 553 L CA 1.654 56.500 54.840 0.009 0.000 0.782 553 L CB -0.198 41.889 42.059 0.048 0.000 0.914 553 L HN 0.089 nan 8.230 nan 0.000 0.441 554 Q N -1.185 118.606 119.800 -0.016 0.000 2.083 554 Q HA -0.161 4.174 4.340 -0.010 0.000 0.198 554 Q C 1.917 177.930 176.000 0.023 0.000 0.969 554 Q CA 1.968 57.760 55.803 -0.018 0.000 0.838 554 Q CB -0.018 28.686 28.738 -0.056 0.000 0.900 554 Q HN 0.568 nan 8.270 nan 0.000 0.436 555 T N 1.517 116.091 114.554 0.034 0.000 2.699 555 T HA -0.180 4.164 4.350 -0.010 0.000 0.268 555 T C 1.815 176.536 174.700 0.036 0.000 1.036 555 T CA 1.472 63.597 62.100 0.041 0.000 1.147 555 T CB -0.230 68.660 68.868 0.036 0.000 0.862 555 T HN 0.253 nan 8.240 nan 0.000 0.446 556 I N 0.564 121.146 120.570 0.020 0.000 2.179 556 I HA -0.136 4.028 4.170 -0.010 0.000 0.242 556 I C 2.235 178.397 176.117 0.076 0.000 1.088 556 I CA 1.254 62.575 61.300 0.034 0.000 1.357 556 I CB -0.349 37.663 38.000 0.021 0.000 1.051 556 I HN 0.192 nan 8.210 nan 0.000 0.409 557 L N -0.132 121.111 121.223 0.033 0.000 2.191 557 L HA -0.193 4.141 4.340 -0.010 0.000 0.212 557 L C 2.648 179.604 176.870 0.144 0.000 1.103 557 L CA 1.134 55.973 54.840 -0.001 0.000 0.769 557 L CB -0.483 41.352 42.059 -0.374 0.000 0.908 557 L HN 0.180 nan 8.230 nan 0.000 0.438 558 R N -0.223 120.356 120.500 0.132 0.000 2.075 558 R HA -0.128 4.206 4.340 -0.010 0.000 0.226 558 R C 2.414 178.787 176.300 0.122 0.000 1.114 558 R CA 0.808 56.998 56.100 0.149 0.000 0.972 558 R CB -0.025 30.343 30.300 0.114 0.000 0.869 558 R HN 0.061 nan 8.270 nan 0.000 0.437 559 R N 0.373 120.932 120.500 0.098 0.000 2.097 559 R HA -0.135 4.199 4.340 -0.010 0.000 0.236 559 R C 2.035 178.396 176.300 0.102 0.000 1.135 559 R CA 2.018 58.169 56.100 0.084 0.000 0.934 559 R CB -1.165 29.175 30.300 0.066 0.000 0.846 559 R HN 0.183 nan 8.270 nan 0.000 0.431 560 V N 0.186 120.181 119.914 0.135 0.000 2.392 560 V HA -0.181 3.933 4.120 -0.010 0.000 0.249 560 V C 1.991 178.155 176.094 0.116 0.000 1.059 560 V CA 1.918 64.305 62.300 0.146 0.000 1.051 560 V CB -0.441 31.514 31.823 0.220 0.000 0.658 560 V HN 0.395 nan 8.190 nan 0.000 0.455 561 L N 0.627 121.940 121.223 0.150 0.000 2.083 561 L HA 0.088 4.422 4.340 -0.010 0.000 0.209 561 L C 2.278 179.201 176.870 0.089 0.000 1.083 561 L CA 2.322 57.249 54.840 0.144 0.000 0.752 561 L CB -1.143 41.045 42.059 0.215 0.000 0.899 561 L HN 0.420 nan 8.230 nan 0.000 0.433 562 A N -2.370 120.500 122.820 0.084 0.000 2.379 562 A HA 0.097 4.411 4.320 -0.010 0.000 0.236 562 A C 1.959 179.573 177.584 0.050 0.000 1.272 562 A CA 0.059 52.133 52.037 0.061 0.000 0.886 562 A CB -0.205 18.831 19.000 0.059 0.000 0.962 562 A HN 0.193 nan 8.150 nan 0.000 0.504 563 K N -0.359 120.073 120.400 0.053 0.000 2.286 563 K HA 0.168 4.482 4.320 -0.010 0.000 0.203 563 K C 0.089 176.706 176.600 0.029 0.000 1.078 563 K CA 0.168 56.482 56.287 0.045 0.000 0.957 563 K CB 0.125 32.659 32.500 0.058 0.000 1.018 563 K HN 0.192 nan 8.250 nan 0.000 0.484 564 R N 2.459 122.969 120.500 0.018 0.000 2.298 564 R HA 0.056 4.390 4.340 -0.010 0.000 0.310 564 R C 1.202 177.496 176.300 -0.011 0.000 1.068 564 R CA 0.175 56.268 56.100 -0.011 0.000 0.957 564 R CB 0.940 31.205 30.300 -0.059 0.000 1.003 564 R HN 0.250 nan 8.270 nan 0.000 0.454 565 E N 2.114 122.311 120.200 -0.005 0.000 2.016 565 E HA -0.123 4.221 4.350 -0.010 0.000 0.190 565 E C 0.037 176.638 176.600 0.001 0.000 0.985 565 E CA 1.110 57.513 56.400 0.004 0.000 0.802 565 E CB 0.219 29.924 29.700 0.007 0.000 0.762 565 E HN 0.630 nan 8.360 nan 0.000 0.448 566 D N 0.224 120.621 120.400 -0.006 0.000 2.046 566 D HA -0.161 4.473 4.640 -0.010 0.000 0.249 566 D C 0.879 177.166 176.300 -0.022 0.000 1.228 566 D CA -0.015 53.983 54.000 -0.002 0.000 0.956 566 D CB -0.083 40.714 40.800 -0.005 0.000 1.278 566 D HN 0.259 nan 8.370 nan 0.000 0.528 567 I N -1.951 118.609 120.570 -0.016 0.000 7.316 567 I HA -0.237 3.928 4.170 -0.010 0.000 0.126 567 I C 0.489 176.601 176.117 -0.008 0.000 1.806 567 I CA 0.204 61.444 61.300 -0.099 0.000 2.125 567 I CB -1.011 36.752 38.000 -0.396 0.000 3.572 567 I HN 0.271 nan 8.210 nan 0.000 0.196 568 K N 2.498 122.940 120.400 0.070 0.000 2.489 568 K HA 0.302 4.617 4.320 -0.010 0.000 0.278 568 K C 0.202 176.855 176.600 0.089 0.000 1.000 568 K CA 0.618 56.949 56.287 0.073 0.000 1.012 568 K CB 1.053 33.600 32.500 0.079 0.000 0.903 568 K HN 0.432 nan 8.250 nan 0.000 0.485 569 S N 2.070 117.809 115.700 0.065 0.000 2.536 569 S HA 0.089 4.553 4.470 -0.010 0.000 0.271 569 S C 0.256 174.868 174.600 0.019 0.000 1.134 569 S CA -0.719 57.508 58.200 0.044 0.000 0.897 569 S CB 1.380 64.622 63.200 0.070 0.000 1.094 569 S HN 0.628 nan 8.310 nan 0.000 0.473 570 D N 2.679 123.069 120.400 -0.017 0.000 2.263 570 D HA 0.160 4.794 4.640 -0.010 0.000 0.208 570 D C 0.837 177.133 176.300 -0.006 0.000 0.971 570 D CA 2.035 56.025 54.000 -0.017 0.000 0.867 570 D CB -0.159 40.615 40.800 -0.043 0.000 0.929 570 D HN 1.159 nan 8.370 nan 0.000 0.492 571 G N -0.864 107.929 108.800 -0.012 0.000 2.770 571 G HA2 -0.149 3.805 3.960 -0.010 0.000 0.686 571 G HA3 -0.149 3.805 3.960 -0.010 0.000 0.686 571 G C -0.809 174.082 174.900 -0.016 0.000 1.180 571 G CA -0.724 44.402 45.100 0.043 0.000 0.767 571 G HN 0.082 nan 8.290 nan 0.000 0.646 572 F N 2.535 122.509 119.950 0.040 0.000 2.413 572 F HA 0.515 5.037 4.527 -0.010 0.000 0.359 572 F C 1.488 177.282 175.800 -0.009 0.000 1.122 572 F CA 0.543 58.554 58.000 0.019 0.000 1.160 572 F CB 1.398 40.419 39.000 0.035 0.000 1.146 572 F HN 0.736 nan 8.300 nan 0.000 0.514 573 S N 3.712 119.482 115.700 0.117 0.000 2.593 573 S HA 0.072 4.536 4.470 -0.010 0.000 0.269 573 S C 1.174 175.785 174.600 0.018 0.000 1.334 573 S CA -0.748 57.478 58.200 0.044 0.000 1.015 573 S CB 0.860 64.064 63.200 0.007 0.000 0.912 573 S HN 0.661 nan 8.310 nan 0.000 0.541 574 I N 1.630 122.154 120.570 -0.076 0.000 2.286 574 I HA -0.120 4.044 4.170 -0.010 0.000 0.248 574 I C 2.292 178.344 176.117 -0.109 0.000 1.115 574 I CA 1.544 62.728 61.300 -0.193 0.000 1.392 574 I CB -0.641 37.117 38.000 -0.402 0.000 1.065 574 I HN 0.841 nan 8.210 nan 0.000 0.418 575 E N -0.391 119.777 120.200 -0.053 0.000 2.267 575 E HA -0.186 4.158 4.350 -0.010 0.000 0.197 575 E C 1.830 178.432 176.600 0.003 0.000 0.998 575 E CA 1.759 58.145 56.400 -0.022 0.000 0.830 575 E CB -0.719 28.974 29.700 -0.012 0.000 0.751 575 E HN 0.576 nan 8.360 nan 0.000 0.491 576 T N 0.560 115.130 114.554 0.028 0.000 2.901 576 T HA -0.043 4.302 4.350 -0.010 0.000 0.252 576 T C 2.300 177.043 174.700 0.072 0.000 1.035 576 T CA 0.703 62.848 62.100 0.075 0.000 1.142 576 T CB -0.517 68.444 68.868 0.155 0.000 0.869 576 T HN 0.234 nan 8.240 nan 0.000 0.442 577 C N 1.773 121.101 119.300 0.047 0.000 2.413 577 C HA -0.029 4.425 4.460 -0.010 0.000 0.276 577 C C 2.779 177.776 174.990 0.010 0.000 1.248 577 C CA 0.586 59.610 59.018 0.009 0.000 1.742 577 C CB -0.831 26.882 27.740 -0.045 0.000 2.017 577 C HN 0.555 nan 8.230 nan 0.000 0.481 578 K N 0.617 121.012 120.400 -0.008 0.000 2.032 578 K HA -0.128 4.186 4.320 -0.010 0.000 0.209 578 K C 1.747 178.367 176.600 0.032 0.000 1.048 578 K CA 1.434 57.729 56.287 0.013 0.000 0.927 578 K CB -0.290 32.214 32.500 0.006 0.000 0.712 578 K HN 0.487 nan 8.250 nan 0.000 0.441 579 I N 0.569 121.158 120.570 0.031 0.000 2.264 579 I HA -0.324 3.840 4.170 -0.010 0.000 0.248 579 I C 2.378 178.524 176.117 0.049 0.000 1.111 579 I CA 1.245 62.568 61.300 0.039 0.000 1.382 579 I CB -0.067 37.956 38.000 0.038 0.000 1.060 579 I HN 0.257 nan 8.210 nan 0.000 0.418 580 M N -0.496 119.135 119.600 0.053 0.000 2.175 580 M HA -0.163 4.311 4.480 -0.010 0.000 0.264 580 M C 2.151 178.493 176.300 0.071 0.000 1.063 580 M CA 1.399 56.736 55.300 0.062 0.000 1.119 580 M CB -0.031 32.606 32.600 0.062 0.000 1.377 580 M HN 0.064 nan 8.290 nan 0.000 0.415 581 V N -0.583 119.374 119.914 0.072 0.000 2.244 581 V HA -0.230 3.885 4.120 -0.010 0.000 0.244 581 V C 0.504 176.639 176.094 0.069 0.000 1.042 581 V CA 1.427 63.775 62.300 0.081 0.000 1.006 581 V CB -0.758 31.112 31.823 0.079 0.000 0.641 581 V HN 0.336 nan 8.190 nan 0.000 0.446 582 D N 0.126 120.561 120.400 0.058 0.000 2.736 582 D HA 0.108 4.742 4.640 -0.010 0.000 0.228 582 D C 0.603 176.937 176.300 0.056 0.000 1.077 582 D CA 0.578 54.609 54.000 0.053 0.000 1.096 582 D CB 0.438 41.264 40.800 0.044 0.000 1.138 582 D HN 0.454 nan 8.370 nan 0.000 0.461 583 M N -0.616 119.020 119.600 0.059 0.000 1.643 583 M HA -0.058 4.417 4.480 -0.010 0.000 0.222 583 M C -0.627 175.706 176.300 0.054 0.000 1.060 583 M CA 0.058 55.394 55.300 0.059 0.000 0.920 583 M CB 0.550 33.185 32.600 0.059 0.000 1.774 583 M HN -0.058 nan 8.290 nan 0.000 0.650 584 L N 1.441 122.698 121.223 0.056 0.000 2.910 584 L HA 0.300 4.634 4.340 -0.010 0.000 0.252 584 L C 0.038 176.943 176.870 0.059 0.000 1.195 584 L CA 0.818 55.688 54.840 0.050 0.000 1.003 584 L CB -0.286 41.801 42.059 0.046 0.000 1.328 584 L HN 0.232 nan 8.230 nan 0.000 0.540 585 D N 0.160 120.597 120.400 0.061 0.000 3.134 585 D HA 0.025 4.659 4.640 -0.010 0.000 0.248 585 D C 1.537 177.867 176.300 0.050 0.000 1.273 585 D CA 0.069 54.105 54.000 0.060 0.000 0.904 585 D CB 0.465 41.302 40.800 0.061 0.000 1.089 585 D HN 0.441 nan 8.370 nan 0.000 0.478 586 E N -0.187 120.040 120.200 0.046 0.000 2.070 586 E HA -0.295 4.049 4.350 -0.010 0.000 0.197 586 E C 1.432 178.054 176.600 0.036 0.000 1.004 586 E CA 1.514 57.937 56.400 0.039 0.000 0.805 586 E CB -0.293 29.427 29.700 0.033 0.000 0.744 586 E HN 0.380 nan 8.360 nan 0.000 0.451 587 D N 0.041 120.463 120.400 0.036 0.000 2.178 587 D HA -0.091 4.543 4.640 -0.010 0.000 0.202 587 D C 1.665 177.984 176.300 0.032 0.000 0.974 587 D CA 1.691 55.711 54.000 0.032 0.000 0.841 587 D CB -0.054 40.766 40.800 0.033 0.000 0.953 587 D HN 0.456 nan 8.370 nan 0.000 0.478 588 G N 0.008 108.830 108.800 0.036 0.000 2.541 588 G HA2 -0.235 3.720 3.960 -0.010 0.000 0.201 588 G HA3 -0.235 3.720 3.960 -0.010 0.000 0.201 588 G C 0.432 175.353 174.900 0.035 0.000 1.026 588 G CA 0.476 45.595 45.100 0.033 0.000 0.687 588 G HN 0.907 nan 8.290 nan 0.000 0.492 589 S N 1.174 116.896 115.700 0.037 0.000 2.553 589 S HA 0.385 4.850 4.470 -0.010 0.000 0.271 589 S C 1.953 176.580 174.600 0.045 0.000 1.362 589 S CA 1.033 59.256 58.200 0.038 0.000 1.010 589 S CB 0.883 64.107 63.200 0.041 0.000 0.865 589 S HN 1.847 nan 8.310 nan 0.000 0.543 590 G N 1.929 110.755 108.800 0.043 0.000 2.503 590 G HA2 -0.094 3.860 3.960 -0.010 0.000 0.221 590 G HA3 -0.094 3.860 3.960 -0.010 0.000 0.221 590 G C 0.493 175.430 174.900 0.062 0.000 1.131 590 G CA 1.018 46.147 45.100 0.050 0.000 0.756 590 G HN 0.760 nan 8.290 nan 0.000 0.572 591 K N -1.934 118.505 120.400 0.066 0.000 2.246 591 K HA 0.689 5.003 4.320 -0.010 0.000 0.239 591 K C -1.519 175.141 176.600 0.100 0.000 1.089 591 K CA -1.034 55.300 56.287 0.078 0.000 0.892 591 K CB 1.271 33.809 32.500 0.063 0.000 1.334 591 K HN -0.030 nan 8.250 nan 0.000 0.507 592 L N 1.402 122.701 121.223 0.127 0.000 2.276 592 L HA 0.442 4.776 4.340 -0.010 0.000 0.286 592 L C -0.060 176.967 176.870 0.262 0.000 1.024 592 L CA 0.208 55.159 54.840 0.186 0.000 0.826 592 L CB 0.899 43.102 42.059 0.240 0.000 1.211 592 L HN 0.724 nan 8.230 nan 0.000 0.422 593 G N 2.999 111.933 108.800 0.223 0.000 2.580 593 G HA2 0.289 4.243 3.960 -0.010 0.000 0.278 593 G HA3 0.289 4.243 3.960 -0.010 0.000 0.278 593 G C 0.877 175.781 174.900 0.007 0.000 1.212 593 G CA -0.482 44.771 45.100 0.255 0.000 0.939 593 G HN 0.702 nan 8.290 nan 0.000 0.513 594 L N -0.073 120.827 121.223 -0.539 0.000 1.952 594 L HA -0.213 4.121 4.340 -0.010 0.000 0.231 594 L C 3.038 179.710 176.870 -0.330 0.000 1.088 594 L CA 2.689 56.871 54.840 -1.097 0.000 0.802 594 L CB -0.256 41.226 42.059 -0.961 0.000 0.903 594 L HN 0.783 nan 8.230 nan 0.000 0.439 595 K N -0.391 119.900 120.400 -0.182 0.000 2.052 595 K HA -0.314 4.001 4.320 -0.010 0.000 0.215 595 K C 1.840 178.451 176.600 0.019 0.000 1.053 595 K CA 2.517 58.773 56.287 -0.050 0.000 0.934 595 K CB -0.273 32.200 32.500 -0.046 0.000 0.717 595 K HN 0.478 nan 8.250 nan 0.000 0.450 596 E N -0.568 119.647 120.200 0.024 0.000 2.070 596 E HA -0.232 4.112 4.350 -0.010 0.000 0.197 596 E C 1.932 178.595 176.600 0.105 0.000 1.004 596 E CA 1.751 58.191 56.400 0.067 0.000 0.805 596 E CB -0.281 29.474 29.700 0.093 0.000 0.744 596 E HN 0.375 nan 8.360 nan 0.000 0.451 597 F N 0.310 120.256 119.950 -0.007 0.000 2.206 597 F HA -0.173 4.348 4.527 -0.010 0.000 0.298 597 F C 2.203 178.003 175.800 0.002 0.000 1.090 597 F CA 1.135 59.155 58.000 0.033 0.000 1.323 597 F CB -0.409 38.669 39.000 0.131 0.000 1.028 597 F HN 0.022 nan 8.300 nan 0.000 0.492 598 Y N 0.807 120.936 120.300 -0.284 0.000 2.165 598 Y HA -0.250 4.295 4.550 -0.010 0.000 0.286 598 Y C 2.099 177.773 175.900 -0.376 0.000 1.155 598 Y CA 2.104 59.957 58.100 -0.411 0.000 1.164 598 Y CB -0.582 37.698 38.460 -0.300 0.000 0.978 598 Y HN 0.146 nan 8.280 nan 0.000 0.513 599 I N -0.496 119.926 120.570 -0.247 0.000 2.179 599 I HA -0.290 3.874 4.170 -0.010 0.000 0.242 599 I C 2.410 178.306 176.117 -0.368 0.000 1.088 599 I CA 1.438 62.560 61.300 -0.296 0.000 1.357 599 I CB -0.575 37.363 38.000 -0.103 0.000 1.051 599 I HN 0.333 nan 8.210 nan 0.000 0.409 600 L N 0.656 121.707 121.223 -0.288 0.000 2.013 600 L HA -0.273 4.061 4.340 -0.010 0.000 0.212 600 L C 2.402 179.069 176.870 -0.338 0.000 1.073 600 L CA 1.989 56.685 54.840 -0.240 0.000 0.753 600 L CB -0.654 41.353 42.059 -0.086 0.000 0.890 600 L HN 0.364 nan 8.230 nan 0.000 0.432 601 W N 0.044 120.859 121.300 -0.808 0.000 2.355 601 W HA -0.247 4.407 4.660 -0.009 0.000 0.309 601 W C 2.143 178.309 176.519 -0.587 0.000 1.206 601 W CA 1.890 58.800 57.345 -0.724 0.000 1.284 601 W CB -0.272 28.647 29.460 -0.902 0.000 1.145 601 W HN 0.196 nan 8.180 nan 0.000 0.502 602 T N 0.444 114.588 114.554 -0.684 0.000 2.849 602 T HA -0.246 4.098 4.350 -0.010 0.000 0.270 602 T C 1.672 176.028 174.700 -0.572 0.000 1.066 602 T CA 1.710 63.421 62.100 -0.648 0.000 1.130 602 T CB -0.247 68.210 68.868 -0.684 0.000 0.864 602 T HN 0.178 nan 8.240 nan 0.000 0.481 603 K N 0.501 120.546 120.400 -0.592 0.000 2.067 603 K HA 0.153 4.467 4.320 -0.010 0.000 0.203 603 K C 2.138 178.178 176.600 -0.933 0.000 1.048 603 K CA 0.678 56.526 56.287 -0.730 0.000 0.954 603 K CB -0.128 32.022 32.500 -0.583 0.000 0.737 603 K HN 0.239 nan 8.250 nan 0.000 0.444 604 I N 1.213 121.392 120.570 -0.653 0.000 2.394 604 I HA -0.268 3.896 4.170 -0.010 0.000 0.251 604 I C 2.367 178.193 176.117 -0.485 0.000 1.136 604 I CA 1.105 62.136 61.300 -0.449 0.000 1.425 604 I CB -0.098 37.617 38.000 -0.475 0.000 1.079 604 I HN 0.280 nan 8.210 nan 0.000 0.425 605 Q N 0.430 119.800 119.800 -0.716 0.000 2.096 605 Q HA -0.265 4.070 4.340 -0.010 0.000 0.204 605 Q C 2.215 178.064 176.000 -0.253 0.000 0.982 605 Q CA 1.665 57.159 55.803 -0.515 0.000 0.850 605 Q CB -0.013 28.420 28.738 -0.509 0.000 0.901 605 Q HN 0.394 nan 8.270 nan 0.000 0.422 606 K N -0.783 119.450 120.400 -0.277 0.000 2.211 606 K HA -0.067 4.247 4.320 -0.010 0.000 0.201 606 K C 1.659 178.299 176.600 0.067 0.000 1.052 606 K CA 0.423 56.630 56.287 -0.133 0.000 0.973 606 K CB 0.213 32.596 32.500 -0.196 0.000 0.766 606 K HN 0.155 nan 8.250 nan 0.000 0.466 607 Y N 1.269 121.600 120.300 0.052 0.000 2.384 607 Y HA -0.179 4.365 4.550 -0.010 0.000 0.289 607 Y C 2.407 178.574 175.900 0.445 0.000 1.152 607 Y CA 0.866 59.109 58.100 0.237 0.000 1.258 607 Y CB -0.362 38.169 38.460 0.118 0.000 0.979 607 Y HN 0.183 nan 8.280 nan 0.000 0.549 608 Q N 0.558 120.589 119.800 0.385 0.000 2.134 608 Q HA -0.116 4.218 4.340 -0.010 0.000 0.195 608 Q C 2.170 178.266 176.000 0.160 0.000 0.958 608 Q CA 0.887 56.837 55.803 0.246 0.000 0.840 608 Q CB 0.005 28.762 28.738 0.032 0.000 0.918 608 Q HN 0.381 nan 8.270 nan 0.000 0.467 609 K N 0.503 120.960 120.400 0.096 0.000 2.020 609 K HA -0.156 4.158 4.320 -0.010 0.000 0.212 609 K C 2.189 178.852 176.600 0.105 0.000 1.050 609 K CA 1.776 58.103 56.287 0.067 0.000 0.929 609 K CB -0.181 32.336 32.500 0.028 0.000 0.714 609 K HN 0.187 nan 8.250 nan 0.000 0.443 610 I N -0.013 120.658 120.570 0.168 0.000 2.099 610 I HA -0.323 3.842 4.170 -0.010 0.000 0.239 610 I C 2.243 178.443 176.117 0.139 0.000 1.066 610 I CA 1.680 63.086 61.300 0.177 0.000 1.324 610 I CB -1.223 36.959 38.000 0.304 0.000 1.037 610 I HN 0.262 nan 8.210 nan 0.000 0.401 611 Y N 1.743 122.062 120.300 0.031 0.000 2.081 611 Y HA -0.286 4.258 4.550 -0.009 0.000 0.280 611 Y C 2.997 178.827 175.900 -0.117 0.000 1.163 611 Y CA 1.884 59.883 58.100 -0.168 0.000 1.135 611 Y CB -0.211 38.171 38.460 -0.129 0.000 0.970 611 Y HN 0.017 nan 8.280 nan 0.000 0.498 612 R N 0.542 121.128 120.500 0.143 0.000 2.113 612 R HA -0.218 4.116 4.340 -0.010 0.000 0.231 612 R C 2.154 178.451 176.300 -0.005 0.000 1.129 612 R CA 2.295 58.424 56.100 0.049 0.000 0.915 612 R CB -0.825 29.497 30.300 0.036 0.000 0.837 612 R HN 0.497 nan 8.270 nan 0.000 0.430 613 E N -0.004 120.200 120.200 0.006 0.000 2.118 613 E HA -0.167 4.177 4.350 -0.010 0.000 0.195 613 E C 1.893 178.468 176.600 -0.043 0.000 0.992 613 E CA 1.037 57.431 56.400 -0.010 0.000 0.804 613 E CB -0.055 29.648 29.700 0.004 0.000 0.741 613 E HN 0.228 nan 8.360 nan 0.000 0.458 614 I N 1.047 121.569 120.570 -0.080 0.000 2.439 614 I HA -0.125 4.039 4.170 -0.010 0.000 0.251 614 I C 0.968 176.984 176.117 -0.168 0.000 1.139 614 I CA 0.793 62.008 61.300 -0.142 0.000 1.438 614 I CB -0.785 37.107 38.000 -0.181 0.000 1.085 614 I HN -0.027 nan 8.210 nan 0.000 0.427 615 D N 1.666 121.959 120.400 -0.179 0.000 2.545 615 D HA 0.065 4.700 4.640 -0.010 0.000 0.227 615 D C 1.404 177.670 176.300 -0.056 0.000 1.150 615 D CA 0.048 53.947 54.000 -0.169 0.000 1.046 615 D CB 0.249 40.924 40.800 -0.209 0.000 1.098 615 D HN 0.093 nan 8.370 nan 0.000 0.502 616 V N 0.045 119.949 119.914 -0.017 0.000 3.573 616 V HA 0.045 4.159 4.120 -0.010 0.000 0.270 616 V C 1.000 177.210 176.094 0.193 0.000 1.221 616 V CA 0.716 63.060 62.300 0.074 0.000 1.163 616 V CB -0.320 31.565 31.823 0.102 0.000 0.847 616 V HN 0.345 nan 8.190 nan 0.000 0.468 617 D N -0.275 120.226 120.400 0.169 0.000 2.440 617 D HA 0.070 4.704 4.640 -0.010 0.000 0.216 617 D C 1.192 177.559 176.300 0.111 0.000 1.150 617 D CA -0.543 53.594 54.000 0.229 0.000 0.832 617 D CB -0.423 40.499 40.800 0.203 0.000 0.992 617 D HN 0.388 nan 8.370 nan 0.000 0.502 618 R N 0.332 120.865 120.500 0.055 0.000 3.868 618 R HA -0.278 4.057 4.340 -0.010 0.000 0.286 618 R C 1.487 177.803 176.300 0.026 0.000 1.220 618 R CA 0.971 57.088 56.100 0.027 0.000 0.828 618 R CB -2.524 27.794 30.300 0.030 0.000 1.185 618 R HN 0.481 nan 8.270 nan 0.000 0.527 619 S N -0.276 115.436 115.700 0.020 0.000 2.413 619 S HA -0.210 4.254 4.470 -0.010 0.000 0.237 619 S C 1.641 176.254 174.600 0.021 0.000 1.044 619 S CA 1.714 59.923 58.200 0.014 0.000 1.024 619 S CB -0.311 62.885 63.200 -0.005 0.000 0.829 619 S HN 1.064 nan 8.310 nan 0.000 0.475 620 G N 0.364 109.174 108.800 0.017 0.000 2.132 620 G HA2 -0.138 3.816 3.960 -0.010 0.000 0.234 620 G HA3 -0.138 3.816 3.960 -0.010 0.000 0.234 620 G C 0.195 175.189 174.900 0.156 0.000 0.989 620 G CA 0.679 45.833 45.100 0.091 0.000 0.676 620 G HN 1.722 nan 8.290 nan 0.000 0.522 621 T N -2.901 111.644 114.554 -0.016 0.000 2.868 621 T HA 0.727 5.071 4.350 -0.010 0.000 0.306 621 T C -0.345 174.194 174.700 -0.268 0.000 1.224 621 T CA -1.018 61.052 62.100 -0.050 0.000 1.012 621 T CB 1.930 70.802 68.868 0.007 0.000 1.221 621 T HN 0.279 nan 8.240 nan 0.000 0.499 622 M N 4.077 123.511 119.600 -0.277 0.000 2.061 622 M HA 0.357 4.831 4.480 -0.010 0.000 0.346 622 M C 0.044 176.271 176.300 -0.122 0.000 1.112 622 M CA -0.658 54.470 55.300 -0.287 0.000 1.021 622 M CB 0.463 32.865 32.600 -0.330 0.000 1.530 622 M HN 0.916 nan 8.290 nan 0.000 0.437 623 N N 1.071 119.710 118.700 -0.100 0.000 2.364 623 N HA 0.228 4.962 4.740 -0.010 0.000 0.264 623 N C 0.685 176.170 175.510 -0.042 0.000 1.263 623 N CA -0.416 52.606 53.050 -0.047 0.000 0.959 623 N CB 0.297 38.768 38.487 -0.028 0.000 1.204 623 N HN 0.403 nan 8.380 nan 0.000 0.550 624 S N -0.981 114.706 115.700 -0.022 0.000 2.404 624 S HA -0.270 4.195 4.470 -0.010 0.000 0.230 624 S C 1.460 176.027 174.600 -0.056 0.000 1.046 624 S CA 1.679 59.857 58.200 -0.036 0.000 1.135 624 S CB -0.941 62.236 63.200 -0.039 0.000 1.056 624 S HN 0.631 nan 8.310 nan 0.000 0.426 625 Y N 2.087 122.301 120.300 -0.143 0.000 2.081 625 Y HA -0.245 4.300 4.550 -0.010 0.000 0.280 625 Y C 2.248 178.035 175.900 -0.188 0.000 1.163 625 Y CA 2.298 60.295 58.100 -0.171 0.000 1.135 625 Y CB -0.670 37.696 38.460 -0.157 0.000 0.970 625 Y HN 0.358 nan 8.280 nan 0.000 0.498 626 E N -0.605 119.503 120.200 -0.153 0.000 2.097 626 E HA -0.316 4.028 4.350 -0.010 0.000 0.196 626 E C 2.125 178.550 176.600 -0.291 0.000 1.000 626 E CA 1.625 57.859 56.400 -0.276 0.000 0.804 626 E CB -0.320 29.270 29.700 -0.184 0.000 0.740 626 E HN 0.462 nan 8.360 nan 0.000 0.454 627 M N 0.825 120.304 119.600 -0.202 0.000 2.065 627 M HA -0.193 4.281 4.480 -0.010 0.000 0.259 627 M C 2.029 178.221 176.300 -0.180 0.000 1.071 627 M CA 1.644 56.872 55.300 -0.119 0.000 1.109 627 M CB -0.354 32.209 32.600 -0.061 0.000 1.313 627 M HN -0.122 nan 8.290 nan 0.000 0.408 628 R N 0.085 120.372 120.500 -0.355 0.000 2.159 628 R HA -0.227 4.108 4.340 -0.010 0.000 0.252 628 R C 2.112 178.184 176.300 -0.380 0.000 1.144 628 R CA 1.898 57.641 56.100 -0.596 0.000 0.961 628 R CB -0.466 29.431 30.300 -0.671 0.000 0.877 628 R HN 0.437 nan 8.270 nan 0.000 0.444 629 K N -0.960 119.183 120.400 -0.427 0.000 2.228 629 K HA 0.020 4.335 4.320 -0.010 0.000 0.202 629 K C 1.936 178.445 176.600 -0.153 0.000 1.051 629 K CA 0.856 56.940 56.287 -0.338 0.000 0.960 629 K CB 0.076 32.266 32.500 -0.518 0.000 0.743 629 K HN 0.172 nan 8.250 nan 0.000 0.458 630 A N 1.564 124.323 122.820 -0.102 0.000 1.872 630 A HA -0.082 4.232 4.320 -0.010 0.000 0.214 630 A C 2.209 179.863 177.584 0.115 0.000 1.187 630 A CA 0.904 52.976 52.037 0.059 0.000 0.614 630 A CB -0.600 18.506 19.000 0.176 0.000 0.826 630 A HN 0.131 nan 8.150 nan 0.000 0.442 631 L N -0.351 120.917 121.223 0.076 0.000 2.013 631 L HA -0.277 4.058 4.340 -0.010 0.000 0.212 631 L C 2.673 179.645 176.870 0.170 0.000 1.073 631 L CA 2.004 56.904 54.840 0.101 0.000 0.753 631 L CB -0.706 41.420 42.059 0.111 0.000 0.890 631 L HN 0.507 nan 8.230 nan 0.000 0.432 632 E N -0.373 119.882 120.200 0.093 0.000 2.077 632 E HA -0.278 4.066 4.350 -0.010 0.000 0.193 632 E C 2.048 178.669 176.600 0.035 0.000 0.989 632 E CA 1.272 57.706 56.400 0.058 0.000 0.800 632 E CB -0.065 29.640 29.700 0.008 0.000 0.746 632 E HN 0.340 nan 8.360 nan 0.000 0.452 633 E N 0.625 120.846 120.200 0.034 0.000 2.268 633 E HA -0.066 4.278 4.350 -0.010 0.000 0.195 633 E C 1.439 178.071 176.600 0.054 0.000 0.995 633 E CA 0.907 57.325 56.400 0.031 0.000 0.836 633 E CB -0.006 29.713 29.700 0.032 0.000 0.763 633 E HN 0.237 nan 8.360 nan 0.000 0.491 634 A N -1.116 121.772 122.820 0.114 0.000 2.278 634 A HA 0.421 4.736 4.320 -0.010 0.000 0.212 634 A C 1.716 179.297 177.584 -0.006 0.000 1.213 634 A CA 0.903 53.029 52.037 0.148 0.000 0.840 634 A CB -0.440 18.735 19.000 0.291 0.000 0.866 634 A HN 0.374 nan 8.150 nan 0.000 0.489 635 G N -1.350 107.401 108.800 -0.081 0.000 2.284 635 G HA2 -0.253 3.702 3.960 -0.010 0.000 0.230 635 G HA3 -0.253 3.702 3.960 -0.010 0.000 0.230 635 G C 0.131 174.786 174.900 -0.408 0.000 1.021 635 G CA 0.001 44.929 45.100 -0.286 0.000 0.619 635 G HN 0.396 nan 8.290 nan 0.000 0.510 636 F N 1.279 121.104 119.950 -0.207 0.000 2.506 636 F HA 0.547 5.068 4.527 -0.010 0.000 0.351 636 F C 1.002 176.719 175.800 -0.138 0.000 1.136 636 F CA 0.599 58.441 58.000 -0.262 0.000 1.298 636 F CB 0.852 39.703 39.000 -0.249 0.000 1.145 636 F HN 0.024 nan 8.300 nan 0.000 0.593 637 K N 4.356 124.775 120.400 0.033 0.000 2.656 637 K HA 0.498 4.813 4.320 -0.010 0.000 0.241 637 K C -1.662 174.959 176.600 0.035 0.000 0.967 637 K CA -0.265 56.045 56.287 0.040 0.000 0.946 637 K CB 0.592 33.095 32.500 0.004 0.000 1.164 637 K HN 0.591 nan 8.250 nan 0.000 0.459 638 L N 4.544 125.740 121.223 -0.044 0.000 2.333 638 L HA 0.650 4.984 4.340 -0.010 0.000 0.269 638 L C -1.932 174.845 176.870 -0.156 0.000 1.010 638 L CA -2.273 52.455 54.840 -0.188 0.000 0.818 638 L CB 1.508 43.260 42.059 -0.513 0.000 1.306 638 L HN 0.522 nan 8.230 nan 0.000 0.430 639 P HA 0.138 nan 4.420 nan 0.000 0.274 639 P C 0.312 177.603 177.300 -0.014 0.000 1.256 639 P CA -0.544 62.543 63.100 -0.023 0.000 0.795 639 P CB 1.069 32.760 31.700 -0.016 0.000 1.038 640 C N -0.459 118.873 119.300 0.053 0.000 2.432 640 C HA -0.132 4.322 4.460 -0.010 0.000 0.277 640 C C 2.846 177.862 174.990 0.043 0.000 1.249 640 C CA 1.201 60.270 59.018 0.085 0.000 1.725 640 C CB -1.704 26.062 27.740 0.043 0.000 2.028 640 C HN 0.696 nan 8.230 nan 0.000 0.477 641 Q N 0.779 120.586 119.800 0.012 0.000 2.118 641 Q HA -0.240 4.094 4.340 -0.010 0.000 0.211 641 Q C 1.869 177.867 176.000 -0.004 0.000 0.998 641 Q CA 2.015 57.820 55.803 0.004 0.000 0.872 641 Q CB -0.580 28.158 28.738 0.000 0.000 0.925 641 Q HN 0.480 nan 8.270 nan 0.000 0.414 642 L N -0.327 120.873 121.223 -0.039 0.000 2.023 642 L HA -0.112 4.222 4.340 -0.010 0.000 0.205 642 L C 2.352 179.186 176.870 -0.060 0.000 1.073 642 L CA 1.905 56.700 54.840 -0.075 0.000 0.745 642 L CB -1.355 40.621 42.059 -0.138 0.000 0.900 642 L HN 0.431 nan 8.230 nan 0.000 0.435 643 H N -0.458 118.603 119.070 -0.015 0.000 2.325 643 H HA -0.243 4.307 4.556 -0.010 0.000 0.293 643 H C 2.138 177.453 175.328 -0.021 0.000 1.106 643 H CA 1.798 57.829 56.048 -0.028 0.000 1.247 643 H CB -0.097 29.646 29.762 -0.031 0.000 1.359 643 H HN 0.391 nan 8.280 nan 0.000 0.488 644 Q N 0.794 120.660 119.800 0.111 0.000 2.364 644 Q HA -0.071 4.263 4.340 -0.010 0.000 0.207 644 Q C 2.268 178.291 176.000 0.037 0.000 0.970 644 Q CA 0.615 56.447 55.803 0.048 0.000 0.888 644 Q CB 0.251 29.001 28.738 0.019 0.000 0.951 644 Q HN 0.302 nan 8.270 nan 0.000 0.469 645 V N 0.524 120.462 119.914 0.040 0.000 2.446 645 V HA -0.197 3.917 4.120 -0.010 0.000 0.244 645 V C 2.367 178.519 176.094 0.096 0.000 1.039 645 V CA 0.718 63.043 62.300 0.042 0.000 1.045 645 V CB -0.381 31.458 31.823 0.027 0.000 0.681 645 V HN 0.257 nan 8.190 nan 0.000 0.459 646 I N 0.298 120.941 120.570 0.122 0.000 2.091 646 I HA -0.243 3.921 4.170 -0.010 0.000 0.239 646 I C 2.526 178.799 176.117 0.259 0.000 1.061 646 I CA 1.664 63.094 61.300 0.217 0.000 1.317 646 I CB -1.278 36.748 38.000 0.042 0.000 1.031 646 I HN 0.161 nan 8.210 nan 0.000 0.401 647 V N 1.610 121.604 119.914 0.133 0.000 2.215 647 V HA -0.344 3.770 4.120 -0.010 0.000 0.249 647 V C 2.832 178.971 176.094 0.074 0.000 1.054 647 V CA 2.473 64.829 62.300 0.092 0.000 1.012 647 V CB -1.258 30.589 31.823 0.040 0.000 0.639 647 V HN 0.558 nan 8.190 nan 0.000 0.448 648 A N -0.578 122.265 122.820 0.039 0.000 2.148 648 A HA -0.281 4.034 4.320 -0.010 0.000 0.222 648 A C 2.234 179.797 177.584 -0.035 0.000 1.161 648 A CA 2.439 54.475 52.037 -0.001 0.000 0.662 648 A CB -0.491 18.502 19.000 -0.012 0.000 0.799 648 A HN 0.573 nan 8.150 nan 0.000 0.466 649 R N -2.497 117.986 120.500 -0.029 0.000 2.257 649 R HA 0.291 4.625 4.340 -0.010 0.000 0.195 649 R C 0.624 176.665 176.300 -0.432 0.000 0.921 649 R CA 0.747 56.705 56.100 -0.238 0.000 1.069 649 R CB -0.208 29.913 30.300 -0.298 0.000 1.115 649 R HN 0.345 nan 8.270 nan 0.000 0.571 650 F N 0.296 120.220 119.950 -0.043 0.000 2.678 650 F HA 0.550 5.072 4.527 -0.010 0.000 0.305 650 F C 0.408 176.190 175.800 -0.030 0.000 1.090 650 F CA -0.128 57.844 58.000 -0.045 0.000 1.272 650 F CB 0.813 39.779 39.000 -0.057 0.000 1.060 650 F HN 0.020 nan 8.300 nan 0.000 0.576 651 A N 0.311 123.179 122.820 0.081 0.000 2.340 651 A HA 0.551 4.865 4.320 -0.010 0.000 0.331 651 A C -0.601 176.991 177.584 0.013 0.000 1.140 651 A CA -0.763 51.307 52.037 0.055 0.000 0.801 651 A CB 0.505 19.535 19.000 0.049 0.000 1.234 651 A HN 0.233 nan 8.150 nan 0.000 0.469 652 D N 0.432 120.840 120.400 0.013 0.000 2.414 652 D HA 0.175 4.809 4.640 -0.010 0.000 0.259 652 D C 0.071 176.370 176.300 -0.003 0.000 1.269 652 D CA -0.245 53.754 54.000 -0.001 0.000 1.028 652 D CB 0.353 41.155 40.800 0.003 0.000 1.093 652 D HN 0.337 nan 8.370 nan 0.000 0.545 653 D N -0.887 119.510 120.400 -0.005 0.000 2.144 653 D HA -0.127 4.507 4.640 -0.010 0.000 0.199 653 D C 1.153 177.453 176.300 -0.001 0.000 0.984 653 D CA 1.100 55.096 54.000 -0.006 0.000 0.834 653 D CB -0.206 40.590 40.800 -0.006 0.000 0.955 653 D HN 0.466 nan 8.370 nan 0.000 0.465 654 E N -0.138 120.064 120.200 0.003 0.000 2.485 654 E HA 0.111 4.455 4.350 -0.010 0.000 0.194 654 E C 0.287 176.889 176.600 0.004 0.000 1.098 654 E CA -0.130 56.273 56.400 0.006 0.000 0.878 654 E CB -0.006 29.699 29.700 0.008 0.000 0.939 654 E HN -0.016 nan 8.360 nan 0.000 0.503 655 L N -0.458 120.766 121.223 0.002 0.000 3.730 655 L HA -0.205 4.130 4.340 -0.010 0.000 0.410 655 L C -0.468 176.404 176.870 0.004 0.000 1.234 655 L CA 0.797 55.637 54.840 0.001 0.000 0.911 655 L CB -1.239 40.816 42.059 -0.006 0.000 1.942 655 L HN 0.303 nan 8.230 nan 0.000 0.860 656 I N -2.884 117.692 120.570 0.011 0.000 2.934 656 I HA 0.803 4.967 4.170 -0.010 0.000 0.306 656 I C -0.439 175.700 176.117 0.036 0.000 1.110 656 I CA -0.996 60.312 61.300 0.012 0.000 1.019 656 I CB 2.057 40.060 38.000 0.004 0.000 1.227 656 I HN -0.057 nan 8.210 nan 0.000 0.434 657 I N 4.019 124.617 120.570 0.046 0.000 2.418 657 I HA 0.346 4.510 4.170 -0.010 0.000 0.287 657 I C -0.870 175.331 176.117 0.139 0.000 1.008 657 I CA -0.064 61.294 61.300 0.097 0.000 1.104 657 I CB 1.571 39.650 38.000 0.132 0.000 1.264 657 I HN 0.741 nan 8.210 nan 0.000 0.438 658 D N 4.479 124.960 120.400 0.135 0.000 2.383 658 D HA 0.062 4.696 4.640 -0.010 0.000 0.248 658 D C 1.015 177.448 176.300 0.222 0.000 1.170 658 D CA -0.364 53.738 54.000 0.171 0.000 0.977 658 D CB 0.546 41.394 40.800 0.079 0.000 1.120 658 D HN 0.378 nan 8.370 nan 0.000 0.481 659 F N 0.685 120.635 119.950 0.001 0.000 2.126 659 F HA -0.178 4.343 4.527 -0.010 0.000 0.299 659 F C 1.664 177.378 175.800 -0.143 0.000 1.096 659 F CA 2.364 60.230 58.000 -0.224 0.000 1.255 659 F CB -0.536 38.197 39.000 -0.445 0.000 0.997 659 F HN 0.604 nan 8.300 nan 0.000 0.479 660 D N -0.567 119.596 120.400 -0.395 0.000 2.077 660 D HA -0.262 4.373 4.640 -0.010 0.000 0.193 660 D C 1.663 177.690 176.300 -0.454 0.000 0.989 660 D CA 1.874 55.321 54.000 -0.923 0.000 0.831 660 D CB -1.110 38.956 40.800 -1.223 0.000 0.979 660 D HN 0.230 nan 8.370 nan 0.000 0.449 661 N N -0.654 117.926 118.700 -0.200 0.000 2.182 661 N HA -0.217 4.517 4.740 -0.010 0.000 0.192 661 N C 1.362 176.849 175.510 -0.038 0.000 1.007 661 N CA 1.221 54.262 53.050 -0.014 0.000 0.873 661 N CB -0.577 37.968 38.487 0.097 0.000 0.998 661 N HN 0.298 nan 8.380 nan 0.000 0.436 662 F N 0.773 120.587 119.950 -0.226 0.000 2.146 662 F HA -0.087 4.434 4.527 -0.010 0.000 0.298 662 F C 1.934 177.458 175.800 -0.459 0.000 1.096 662 F CA 0.862 58.708 58.000 -0.257 0.000 1.275 662 F CB -0.343 38.622 39.000 -0.058 0.000 1.008 662 F HN -0.158 nan 8.300 nan 0.000 0.480 663 V N 0.626 120.211 119.914 -0.548 0.000 2.283 663 V HA -0.238 3.876 4.120 -0.010 0.000 0.243 663 V C 2.529 178.332 176.094 -0.485 0.000 1.039 663 V CA 2.095 63.999 62.300 -0.660 0.000 1.016 663 V CB -0.828 30.810 31.823 -0.308 0.000 0.650 663 V HN 0.239 nan 8.190 nan 0.000 0.449 664 R N -0.516 119.826 120.500 -0.263 0.000 2.134 664 R HA -0.286 4.048 4.340 -0.010 0.000 0.248 664 R C 2.426 178.539 176.300 -0.312 0.000 1.143 664 R CA 2.438 58.450 56.100 -0.147 0.000 0.957 664 R CB -0.890 29.412 30.300 0.004 0.000 0.867 664 R HN 0.642 nan 8.270 nan 0.000 0.441 665 C N -0.169 118.784 119.300 -0.579 0.000 2.453 665 C HA -0.009 4.446 4.460 -0.010 0.000 0.277 665 C C 2.408 176.913 174.990 -0.808 0.000 1.262 665 C CA 0.537 58.959 59.018 -0.995 0.000 1.718 665 C CB -0.972 26.028 27.740 -1.233 0.000 2.031 665 C HN 0.550 nan 8.230 nan 0.000 0.480 666 L N 0.589 121.273 121.223 -0.900 0.000 2.201 666 L HA -0.043 4.291 4.340 -0.010 0.000 0.212 666 L C 2.564 179.141 176.870 -0.488 0.000 1.105 666 L CA 1.358 55.689 54.840 -0.847 0.000 0.775 666 L CB -0.674 40.666 42.059 -1.198 0.000 0.913 666 L HN 0.249 nan 8.230 nan 0.000 0.440 667 V N -0.666 119.002 119.914 -0.409 0.000 2.237 667 V HA -0.325 3.789 4.120 -0.010 0.000 0.245 667 V C 2.745 178.786 176.094 -0.088 0.000 1.046 667 V CA 1.907 64.123 62.300 -0.140 0.000 1.007 667 V CB -0.386 31.392 31.823 -0.076 0.000 0.638 667 V HN 0.401 nan 8.190 nan 0.000 0.445 668 R N -0.825 119.594 120.500 -0.134 0.000 2.094 668 R HA -0.209 4.126 4.340 -0.010 0.000 0.239 668 R C 2.211 178.485 176.300 -0.043 0.000 1.137 668 R CA 1.962 58.025 56.100 -0.062 0.000 0.943 668 R CB -0.468 29.801 30.300 -0.052 0.000 0.850 668 R HN 0.376 nan 8.270 nan 0.000 0.433 669 L N 1.015 122.153 121.223 -0.141 0.000 2.083 669 L HA -0.126 4.209 4.340 -0.010 0.000 0.209 669 L C 1.871 178.899 176.870 0.262 0.000 1.083 669 L CA 1.839 56.649 54.840 -0.049 0.000 0.752 669 L CB -0.398 41.370 42.059 -0.485 0.000 0.899 669 L HN 0.221 nan 8.230 nan 0.000 0.433 670 E N -1.307 119.017 120.200 0.206 0.000 2.516 670 E HA -0.119 4.226 4.350 -0.010 0.000 0.199 670 E C 1.901 178.628 176.600 0.213 0.000 1.069 670 E CA 0.429 57.023 56.400 0.322 0.000 0.876 670 E CB 0.086 29.937 29.700 0.252 0.000 0.843 670 E HN 0.573 nan 8.360 nan 0.000 0.530 671 I N -1.002 119.667 120.570 0.165 0.000 3.132 671 I HA -0.107 4.057 4.170 -0.010 0.000 0.255 671 I C 1.360 177.545 176.117 0.113 0.000 1.118 671 I CA -0.129 61.241 61.300 0.117 0.000 1.463 671 I CB -0.000 38.045 38.000 0.076 0.000 1.356 671 I HN 0.116 nan 8.210 nan 0.000 0.463 672 L N 0.713 121.988 121.223 0.088 0.000 2.010 672 L HA -0.279 4.056 4.340 -0.010 0.000 0.219 672 L C 2.384 179.269 176.870 0.024 0.000 1.077 672 L CA 2.244 57.093 54.840 0.015 0.000 0.773 672 L CB -1.355 40.678 42.059 -0.044 0.000 0.892 672 L HN 0.124 nan 8.230 nan 0.000 0.436 673 F N -0.004 119.984 119.950 0.064 0.000 2.075 673 F HA -0.281 4.241 4.527 -0.010 0.000 0.297 673 F C 2.583 178.434 175.800 0.085 0.000 1.113 673 F CA 2.062 60.106 58.000 0.073 0.000 1.218 673 F CB -0.528 38.522 39.000 0.083 0.000 0.984 673 F HN 0.086 nan 8.300 nan 0.000 0.472 674 K N 1.020 121.583 120.400 0.272 0.000 2.020 674 K HA -0.232 4.083 4.320 -0.010 0.000 0.212 674 K C 1.960 178.609 176.600 0.082 0.000 1.050 674 K CA 2.180 58.556 56.287 0.148 0.000 0.929 674 K CB -0.668 31.900 32.500 0.112 0.000 0.714 674 K HN 0.283 nan 8.250 nan 0.000 0.443 675 I N 0.230 120.818 120.570 0.030 0.000 2.315 675 I HA -0.265 3.899 4.170 -0.010 0.000 0.251 675 I C 2.166 178.199 176.117 -0.141 0.000 1.125 675 I CA 1.193 62.421 61.300 -0.120 0.000 1.392 675 I CB -0.281 37.562 38.000 -0.262 0.000 1.065 675 I HN 0.238 nan 8.210 nan 0.000 0.424 676 F N 1.732 121.582 119.950 -0.166 0.000 2.037 676 F HA -0.063 4.458 4.527 -0.010 0.000 0.291 676 F C 1.528 177.278 175.800 -0.082 0.000 1.137 676 F CA 1.015 58.924 58.000 -0.152 0.000 1.178 676 F CB -0.141 38.756 39.000 -0.171 0.000 0.995 676 F HN -0.208 nan 8.300 nan 0.000 0.472 677 K N 1.194 121.724 120.400 0.218 0.000 2.542 677 K HA -0.154 4.160 4.320 -0.010 0.000 0.276 677 K C 0.538 177.137 176.600 -0.002 0.000 0.963 677 K CA 0.548 56.897 56.287 0.103 0.000 0.975 677 K CB 0.315 32.895 32.500 0.133 0.000 0.901 677 K HN 0.286 nan 8.250 nan 0.000 0.506 678 Q N -0.479 119.309 119.800 -0.019 0.000 4.152 678 Q HA -0.218 4.116 4.340 -0.010 0.000 0.221 678 Q C 0.850 176.810 176.000 -0.067 0.000 2.114 678 Q CA 1.672 57.457 55.803 -0.029 0.000 0.736 678 Q CB -1.288 27.447 28.738 -0.004 0.000 0.635 678 Q HN 0.587 nan 8.270 nan 0.000 0.862 679 L N 0.972 122.112 121.223 -0.139 0.000 2.599 679 L HA 0.188 4.523 4.340 -0.010 0.000 0.230 679 L C 0.138 176.866 176.870 -0.236 0.000 1.141 679 L CA 1.689 56.413 54.840 -0.192 0.000 0.877 679 L CB 0.271 42.148 42.059 -0.303 0.000 1.009 679 L HN 0.353 nan 8.230 nan 0.000 0.447 680 D N -1.960 118.316 120.400 -0.205 0.000 3.285 680 D HA 0.113 4.747 4.640 -0.010 0.000 0.273 680 D C -1.827 174.434 176.300 -0.065 0.000 1.295 680 D CA -0.787 53.105 54.000 -0.181 0.000 0.762 680 D CB 0.649 41.240 40.800 -0.347 0.000 1.379 680 D HN -0.096 nan 8.370 nan 0.000 0.612 681 P HA -0.093 nan 4.420 nan 0.000 0.217 681 P C 0.477 177.781 177.300 0.006 0.000 1.150 681 P CA 1.005 64.100 63.100 -0.009 0.000 0.832 681 P CB 0.412 32.106 31.700 -0.010 0.000 0.787 682 E N -0.841 119.361 120.200 0.003 0.000 2.437 682 E HA 0.108 4.453 4.350 -0.010 0.000 0.195 682 E C -0.163 176.452 176.600 0.025 0.000 1.029 682 E CA -0.391 56.017 56.400 0.013 0.000 0.948 682 E CB -0.699 29.006 29.700 0.009 0.000 1.082 682 E HN 0.187 nan 8.360 nan 0.000 0.456 683 N N 0.560 119.282 118.700 0.037 0.000 2.882 683 N HA -0.139 4.595 4.740 -0.010 0.000 0.249 683 N C -0.462 175.085 175.510 0.063 0.000 1.079 683 N CA 0.947 54.036 53.050 0.064 0.000 0.800 683 N CB -1.252 37.270 38.487 0.058 0.000 1.124 683 N HN 0.254 nan 8.380 nan 0.000 0.557 684 T N -2.432 112.148 114.554 0.042 0.000 2.758 684 T HA 0.235 4.580 4.350 -0.010 0.000 0.281 684 T C 1.583 176.334 174.700 0.086 0.000 0.963 684 T CA 0.078 62.204 62.100 0.043 0.000 1.201 684 T CB 1.050 69.927 68.868 0.014 0.000 0.906 684 T HN 0.324 nan 8.240 nan 0.000 0.528 685 G N 2.952 111.814 108.800 0.104 0.000 2.657 685 G HA2 0.129 4.083 3.960 -0.010 0.000 0.210 685 G HA3 0.129 4.083 3.960 -0.010 0.000 0.210 685 G C 0.565 175.620 174.900 0.258 0.000 1.145 685 G CA 0.629 45.827 45.100 0.163 0.000 0.776 685 G HN 1.040 nan 8.290 nan 0.000 0.540 686 T N -1.304 113.359 114.554 0.181 0.000 2.901 686 T HA 0.666 5.010 4.350 -0.010 0.000 0.293 686 T C -1.078 173.582 174.700 -0.066 0.000 1.084 686 T CA -0.845 61.340 62.100 0.142 0.000 1.008 686 T CB 1.873 70.786 68.868 0.075 0.000 1.170 686 T HN -0.004 nan 8.240 nan 0.000 0.509 687 I N 1.615 122.118 120.570 -0.112 0.000 2.913 687 I HA 0.508 4.672 4.170 -0.010 0.000 0.302 687 I C -1.719 174.340 176.117 -0.097 0.000 1.246 687 I CA -0.751 60.383 61.300 -0.276 0.000 1.010 687 I CB 2.290 39.875 38.000 -0.691 0.000 1.259 687 I HN 0.756 nan 8.210 nan 0.000 0.434 688 Q N 6.295 126.048 119.800 -0.077 0.000 2.305 688 Q HA 0.616 4.951 4.340 -0.010 0.000 0.271 688 Q C -2.271 173.750 176.000 0.036 0.000 1.046 688 Q CA -0.692 55.105 55.803 -0.011 0.000 0.798 688 Q CB 2.710 31.439 28.738 -0.014 0.000 1.286 688 Q HN 0.647 nan 8.270 nan 0.000 0.435 689 L N 3.387 124.655 121.223 0.074 0.000 2.431 689 L HA 0.397 4.732 4.340 -0.010 0.000 0.266 689 L C -0.846 176.087 176.870 0.105 0.000 0.978 689 L CA -0.959 53.974 54.840 0.154 0.000 0.822 689 L CB 2.075 44.326 42.059 0.320 0.000 1.310 689 L HN 0.764 nan 8.230 nan 0.000 0.409 690 D N 2.030 122.498 120.400 0.114 0.000 2.383 690 D HA 0.067 4.701 4.640 -0.010 0.000 0.248 690 D C 1.004 177.380 176.300 0.128 0.000 1.170 690 D CA -0.665 53.380 54.000 0.076 0.000 0.977 690 D CB 1.193 42.025 40.800 0.054 0.000 1.120 690 D HN 0.280 nan 8.370 nan 0.000 0.481 691 L N 0.570 121.838 121.223 0.075 0.000 1.970 691 L HA -0.207 4.128 4.340 -0.010 0.000 0.212 691 L C 2.161 179.142 176.870 0.185 0.000 1.071 691 L CA 1.930 56.837 54.840 0.111 0.000 0.751 691 L CB -0.754 41.332 42.059 0.045 0.000 0.889 691 L HN 0.660 nan 8.230 nan 0.000 0.432 692 I N -1.015 119.617 120.570 0.103 0.000 2.208 692 I HA -0.209 3.955 4.170 -0.010 0.000 0.245 692 I C 2.689 178.833 176.117 0.045 0.000 1.097 692 I CA 1.877 63.217 61.300 0.068 0.000 1.363 692 I CB -1.337 36.678 38.000 0.025 0.000 1.051 692 I HN 0.323 nan 8.210 nan 0.000 0.413 693 S N 0.502 116.229 115.700 0.046 0.000 2.496 693 S HA -0.126 4.338 4.470 -0.010 0.000 0.224 693 S C 1.860 176.479 174.600 0.032 0.000 0.996 693 S CA 0.101 58.259 58.200 -0.070 0.000 0.927 693 S CB -1.168 61.981 63.200 -0.085 0.000 0.774 693 S HN 0.772 nan 8.310 nan 0.000 0.524 694 W N 2.629 123.960 121.300 0.052 0.000 2.355 694 W HA -0.085 4.569 4.660 -0.010 0.000 0.309 694 W C 1.399 177.973 176.519 0.091 0.000 1.206 694 W CA 0.778 58.205 57.345 0.136 0.000 1.284 694 W CB -0.744 28.772 29.460 0.093 0.000 1.145 694 W HN 0.328 nan 8.180 nan 0.000 0.502 695 L N 2.115 123.364 121.223 0.044 0.000 1.989 695 L HA -0.301 4.033 4.340 -0.010 0.000 0.211 695 L C 3.018 179.786 176.870 -0.170 0.000 1.071 695 L CA 2.495 57.273 54.840 -0.104 0.000 0.749 695 L CB -1.337 40.752 42.059 0.050 0.000 0.890 695 L HN 0.043 nan 8.230 nan 0.000 0.431 696 S N -0.843 114.758 115.700 -0.164 0.000 2.469 696 S HA -0.132 4.332 4.470 -0.010 0.000 0.238 696 S C 1.689 176.116 174.600 -0.287 0.000 0.998 696 S CA 0.939 58.998 58.200 -0.235 0.000 0.957 696 S CB -0.644 62.387 63.200 -0.281 0.000 0.764 696 S HN 0.341 nan 8.310 nan 0.000 0.514 697 F N 2.504 122.371 119.950 -0.138 0.000 2.164 697 F HA 0.063 4.584 4.527 -0.009 0.000 0.287 697 F C 2.993 178.658 175.800 -0.224 0.000 1.086 697 F CA 0.736 58.648 58.000 -0.146 0.000 1.249 697 F CB -0.565 38.358 39.000 -0.129 0.000 1.059 697 F HN 0.294 nan 8.300 nan 0.000 0.490 698 S N -0.854 114.720 115.700 -0.209 0.000 2.537 698 S HA -0.084 4.380 4.470 -0.010 0.000 0.240 698 S C 1.323 175.780 174.600 -0.237 0.000 0.981 698 S CA 1.020 58.990 58.200 -0.384 0.000 0.948 698 S CB -0.205 62.425 63.200 -0.949 0.000 0.759 698 S HN 0.207 nan 8.310 nan 0.000 0.531 699 V N -0.717 119.099 119.914 -0.164 0.000 3.497 699 V HA 0.488 4.602 4.120 -0.010 0.000 0.272 699 V C 0.314 176.373 176.094 -0.058 0.000 1.474 699 V CA 0.264 62.504 62.300 -0.100 0.000 1.025 699 V CB 0.336 32.105 31.823 -0.091 0.000 0.820 699 V HN 0.497 nan 8.190 nan 0.000 0.437 700 L N -2.060 119.132 121.223 -0.051 0.000 3.266 700 L HA 0.650 4.984 4.340 -0.010 0.000 0.226 700 L C 1.193 178.067 176.870 0.006 0.000 1.816 700 L CA -0.372 54.453 54.840 -0.026 0.000 1.794 700 L CB -0.319 41.714 42.059 -0.042 0.000 1.852 700 L HN 0.127 nan 8.230 nan 0.000 0.539 701 G N 0.000 108.798 108.800 -0.003 0.000 5.446 701 G HA2 0.000 3.954 3.960 -0.010 0.000 0.244 701 G HA3 0.000 3.954 3.960 -0.010 0.000 0.244 701 G CA 0.000 45.117 45.100 0.028 0.000 0.502 701 G HN 0.000 nan 8.290 nan 0.000 0.925