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 2zzb_1_B DATA FIRST_RESID 9 DATA SEQUENCE KSYDYDLIII GGGSGGLAAA KEAAQYGKKV MVLDFVTPTP LGTRWGLGGT DATA SEQUENCE cVNVGcIPKK LMHQAALLGQ ALQDSRNYGW KVEETVKHDW DRMIEAVQNH DATA SEQUENCE IGSLNWGYRV ALREKKVVYE NAYGQFIGPH RIKATNNKGK EKIYSAERFL DATA SEQUENCE IATGERPRYL GIPGDKEYCI SSDDLFSLPY CPGKTLVVGA SYVALECAGF DATA SEQUENCE LAGIGLDVTV MVRSILLRGF DQDMANKIGE HMEEHGIKFI RQFVPIKVEQ DATA SEQUENCE IEAGTPGRLR VVAQSTNSEE IIEGEYNTVM LAIGRDACTR KIGLETVGVK DATA SEQUENCE INEKTGKIPV TDEEQTNVPY IYAIGDILED KVELTPVAIQ AGRLLAQRLY DATA SEQUENCE AGSTVKCDYE NVPTTVFTPL EYGACGLSEE KAVEKFGEEN IEVYHSYFWP DATA SEQUENCE LEWTIPSRDN NKCYAKIICN TKDNERVVGF HVLGPNAGEV TQGFAAALKC DATA SEQUENCE GLTKKQLDST IGIHPVCAEV FTTLSVTKRS GASIL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.445 176.600 -0.258 0.000 0.988 9 K CA 0.000 56.218 56.287 -0.115 0.000 0.838 9 K CB 0.000 32.473 32.500 -0.045 0.000 1.064 10 S N 0.798 116.406 115.700 -0.153 0.000 2.862 10 S HA -0.133 4.356 4.470 0.032 0.000 0.843 10 S C -1.581 172.832 174.600 -0.311 0.000 0.808 10 S CA 0.182 58.299 58.200 -0.138 0.000 1.515 10 S CB -0.531 62.592 63.200 -0.128 0.000 1.082 10 S HN 0.505 nan 8.310 nan 0.000 0.447 11 Y N 2.446 122.757 120.300 0.017 0.000 2.677 11 Y HA 0.457 5.026 4.550 0.032 0.000 0.334 11 Y C 1.296 177.239 175.900 0.072 0.000 1.154 11 Y CA -0.871 57.266 58.100 0.061 0.000 1.070 11 Y CB 0.546 39.061 38.460 0.091 0.000 1.294 11 Y HN 0.499 nan 8.280 nan 0.000 0.475 12 D N -0.070 120.542 120.400 0.353 0.000 2.078 12 D HA -0.136 4.523 4.640 0.032 0.000 0.193 12 D C -0.405 175.924 176.300 0.048 0.000 0.990 12 D CA 2.133 56.297 54.000 0.272 0.000 0.827 12 D CB 0.039 41.180 40.800 0.568 0.000 0.975 12 D HN 0.258 nan 8.370 nan 0.000 0.451 13 Y N -0.096 120.258 120.300 0.090 0.000 2.630 13 Y HA 0.218 4.788 4.550 0.033 0.000 0.337 13 Y C 1.134 177.031 175.900 -0.004 0.000 1.051 13 Y CA -1.008 57.093 58.100 0.001 0.000 1.121 13 Y CB 1.128 39.534 38.460 -0.090 0.000 1.299 13 Y HN -0.283 nan 8.280 nan 0.000 0.498 14 D N 0.036 120.497 120.400 0.103 0.000 2.301 14 D HA 0.077 4.737 4.640 0.032 0.000 0.206 14 D C -0.730 175.623 176.300 0.087 0.000 0.979 14 D CA 1.057 55.105 54.000 0.080 0.000 0.874 14 D CB 0.704 41.517 40.800 0.022 0.000 0.968 14 D HN 0.229 nan 8.370 nan 0.000 0.510 15 L N 0.936 122.185 121.223 0.044 0.000 2.526 15 L HA 0.348 4.707 4.340 0.032 0.000 0.263 15 L C -1.907 174.871 176.870 -0.153 0.000 0.943 15 L CA -0.523 54.308 54.840 -0.016 0.000 0.859 15 L CB 2.126 44.236 42.059 0.084 0.000 1.313 15 L HN -0.298 nan 8.230 nan 0.000 0.406 16 I N 5.764 126.108 120.570 -0.377 0.000 2.441 16 I HA 0.474 4.664 4.170 0.032 0.000 0.295 16 I C -0.556 175.428 176.117 -0.222 0.000 0.994 16 I CA -0.514 60.510 61.300 -0.462 0.000 1.144 16 I CB 1.970 39.414 38.000 -0.927 0.000 1.314 16 I HN 0.445 nan 8.210 nan 0.000 0.445 17 I N 6.685 127.171 120.570 -0.140 0.000 2.389 17 I HA 0.362 4.551 4.170 0.032 0.000 0.288 17 I C -0.274 175.824 176.117 -0.031 0.000 0.999 17 I CA -0.800 60.479 61.300 -0.036 0.000 1.129 17 I CB 1.488 39.478 38.000 -0.016 0.000 1.288 17 I HN 0.228 nan 8.210 nan 0.000 0.444 18 I N 4.967 125.551 120.570 0.023 0.000 2.304 18 I HA 0.642 4.831 4.170 0.032 0.000 0.291 18 I C 0.709 176.836 176.117 0.016 0.000 1.018 18 I CA -0.084 61.221 61.300 0.008 0.000 1.260 18 I CB 0.842 38.860 38.000 0.030 0.000 1.390 18 I HN 0.815 nan 8.210 nan 0.000 0.475 19 G N 3.763 112.558 108.800 -0.009 0.000 3.448 19 G HA2 0.167 4.146 3.960 0.032 0.000 0.685 19 G HA3 0.167 4.146 3.960 0.032 0.000 0.685 19 G C 0.002 174.894 174.900 -0.013 0.000 1.151 19 G CA -0.647 44.448 45.100 -0.008 0.000 1.023 19 G HN 1.032 nan 8.290 nan 0.000 0.499 20 G N 0.866 109.658 108.800 -0.014 0.000 3.860 20 G HA2 0.703 4.683 3.960 0.032 0.000 0.269 20 G HA3 0.703 4.683 3.960 0.032 0.000 0.269 20 G C 0.678 175.508 174.900 -0.117 0.000 1.112 20 G CA 0.717 45.790 45.100 -0.045 0.000 1.674 20 G HN 1.304 nan 8.290 nan 0.000 0.628 21 G N -0.269 108.467 108.800 -0.107 0.000 2.788 21 G HA2 0.456 4.435 3.960 0.032 0.000 0.293 21 G HA3 0.456 4.435 3.960 0.032 0.000 0.293 21 G C 1.031 175.836 174.900 -0.157 0.000 1.305 21 G CA 0.129 45.151 45.100 -0.131 0.000 1.005 21 G HN 0.195 nan 8.290 nan 0.000 0.496 22 S N -0.160 115.453 115.700 -0.146 0.000 2.422 22 S HA -0.256 4.234 4.470 0.032 0.000 0.248 22 S C 2.476 177.030 174.600 -0.077 0.000 1.069 22 S CA 2.348 60.477 58.200 -0.118 0.000 1.214 22 S CB -0.883 62.277 63.200 -0.065 0.000 1.122 22 S HN 0.987 nan 8.310 nan 0.000 0.432 23 G N 0.788 109.566 108.800 -0.036 0.000 2.421 23 G HA2 0.123 4.103 3.960 0.032 0.000 0.217 23 G HA3 0.123 4.103 3.960 0.032 0.000 0.217 23 G C 1.331 176.222 174.900 -0.014 0.000 1.143 23 G CA 0.947 46.041 45.100 -0.010 0.000 0.784 23 G HN 0.615 nan 8.290 nan 0.000 0.541 24 G N 1.516 110.298 108.800 -0.030 0.000 2.701 24 G HA2 -0.254 3.725 3.960 0.032 0.000 0.215 24 G HA3 -0.254 3.725 3.960 0.032 0.000 0.215 24 G C 1.740 176.615 174.900 -0.042 0.000 1.297 24 G CA 0.976 46.059 45.100 -0.029 0.000 0.807 24 G HN 0.380 nan 8.290 nan 0.000 0.608 25 L N 1.024 122.191 121.223 -0.095 0.000 2.137 25 L HA -0.215 4.144 4.340 0.032 0.000 0.213 25 L C 3.417 180.264 176.870 -0.038 0.000 1.085 25 L CA 1.209 55.990 54.840 -0.099 0.000 0.760 25 L CB -0.546 41.367 42.059 -0.244 0.000 0.893 25 L HN 0.367 nan 8.230 nan 0.000 0.434 26 A N 0.046 122.846 122.820 -0.032 0.000 1.858 26 A HA -0.181 4.158 4.320 0.032 0.000 0.216 26 A C 2.560 180.153 177.584 0.016 0.000 1.190 26 A CA 1.924 53.962 52.037 0.001 0.000 0.617 26 A CB -0.788 18.212 19.000 -0.001 0.000 0.827 26 A HN 0.405 nan 8.150 nan 0.000 0.443 27 A N -0.287 122.544 122.820 0.018 0.000 1.898 27 A HA 0.203 4.543 4.320 0.032 0.000 0.216 27 A C 2.512 180.118 177.584 0.037 0.000 1.181 27 A CA 2.065 54.126 52.037 0.039 0.000 0.620 27 A CB -1.141 17.882 19.000 0.038 0.000 0.819 27 A HN 1.121 nan 8.150 nan 0.000 0.442 28 A N 0.395 123.223 122.820 0.013 0.000 1.859 28 A HA -0.290 4.049 4.320 0.032 0.000 0.218 28 A C 2.119 179.701 177.584 -0.005 0.000 1.209 28 A CA 2.238 54.275 52.037 -0.000 0.000 0.639 28 A CB -0.699 18.294 19.000 -0.012 0.000 0.835 28 A HN 0.563 nan 8.150 nan 0.000 0.450 29 K N -1.121 119.277 120.400 -0.004 0.000 2.032 29 K HA -0.201 4.138 4.320 0.032 0.000 0.209 29 K C 2.164 178.749 176.600 -0.024 0.000 1.048 29 K CA 1.628 57.905 56.287 -0.016 0.000 0.927 29 K CB -0.196 32.301 32.500 -0.006 0.000 0.712 29 K HN 0.513 nan 8.250 nan 0.000 0.441 30 E N 0.997 121.207 120.200 0.016 0.000 2.110 30 E HA -0.152 4.217 4.350 0.032 0.000 0.193 30 E C 1.752 178.421 176.600 0.116 0.000 0.988 30 E CA 1.446 57.880 56.400 0.056 0.000 0.804 30 E CB -0.118 29.658 29.700 0.127 0.000 0.745 30 E HN 0.318 nan 8.360 nan 0.000 0.458 31 A N 0.651 123.532 122.820 0.101 0.000 1.872 31 A HA 0.046 4.385 4.320 0.032 0.000 0.214 31 A C 2.450 179.993 177.584 -0.069 0.000 1.187 31 A CA 1.770 53.843 52.037 0.059 0.000 0.614 31 A CB -1.036 17.947 19.000 -0.027 0.000 0.826 31 A HN 0.362 nan 8.150 nan 0.000 0.442 32 A N -0.803 121.968 122.820 -0.083 0.000 1.948 32 A HA -0.279 4.060 4.320 0.032 0.000 0.220 32 A C 2.075 179.578 177.584 -0.136 0.000 1.177 32 A CA 1.887 53.863 52.037 -0.102 0.000 0.636 32 A CB -0.617 18.340 19.000 -0.072 0.000 0.815 32 A HN 0.644 nan 8.150 nan 0.000 0.449 33 Q N -2.078 117.602 119.800 -0.200 0.000 2.364 33 Q HA -0.135 4.224 4.340 0.032 0.000 0.209 33 Q C 0.142 175.848 176.000 -0.490 0.000 0.977 33 Q CA 1.089 56.675 55.803 -0.362 0.000 0.885 33 Q CB -0.124 28.328 28.738 -0.477 0.000 0.941 33 Q HN 0.883 nan 8.270 nan 0.000 0.464 34 Y N -1.186 119.070 120.300 -0.073 0.000 2.756 34 Y HA 0.299 4.868 4.550 0.032 0.000 0.300 34 Y C 0.895 176.742 175.900 -0.090 0.000 1.113 34 Y CA -0.090 57.974 58.100 -0.059 0.000 1.291 34 Y CB 0.812 39.258 38.460 -0.023 0.000 1.175 34 Y HN 0.047 nan 8.280 nan 0.000 0.534 35 G N 1.145 109.925 108.800 -0.033 0.000 2.314 35 G HA2 -0.241 3.738 3.960 0.032 0.000 0.292 35 G HA3 -0.241 3.738 3.960 0.032 0.000 0.292 35 G C -0.236 174.615 174.900 -0.081 0.000 1.059 35 G CA -0.173 44.899 45.100 -0.046 0.000 0.982 35 G HN 0.103 nan 8.290 nan 0.000 0.505 36 K N -0.446 119.862 120.400 -0.152 0.000 2.267 36 K HA 0.532 4.871 4.320 0.032 0.000 0.246 36 K C 0.036 176.552 176.600 -0.142 0.000 0.954 36 K CA -1.136 55.025 56.287 -0.210 0.000 0.824 36 K CB 1.430 33.622 32.500 -0.514 0.000 1.167 36 K HN 0.018 nan 8.250 nan 0.000 0.431 37 K N 1.880 122.217 120.400 -0.105 0.000 2.285 37 K HA 0.332 4.671 4.320 0.032 0.000 0.286 37 K C -0.622 175.984 176.600 0.010 0.000 1.072 37 K CA -0.412 55.829 56.287 -0.076 0.000 0.913 37 K CB 0.650 33.061 32.500 -0.148 0.000 1.067 37 K HN 0.294 nan 8.250 nan 0.000 0.479 38 V N 4.469 124.418 119.914 0.058 0.000 2.823 38 V HA 0.528 4.667 4.120 0.032 0.000 0.312 38 V C -0.275 175.903 176.094 0.140 0.000 1.072 38 V CA -0.962 61.388 62.300 0.085 0.000 0.937 38 V CB 2.235 34.053 31.823 -0.008 0.000 1.013 38 V HN 0.743 nan 8.190 nan 0.000 0.430 39 M N 3.886 123.478 119.600 -0.014 0.000 2.386 39 M HA 0.692 5.191 4.480 0.032 0.000 0.293 39 M C -2.227 173.949 176.300 -0.208 0.000 1.120 39 M CA -0.504 54.676 55.300 -0.199 0.000 0.909 39 M CB 2.117 34.235 32.600 -0.803 0.000 1.661 39 M HN 0.432 nan 8.290 nan 0.000 0.452 40 V N 5.906 125.752 119.914 -0.114 0.000 2.384 40 V HA 0.481 4.620 4.120 0.032 0.000 0.287 40 V C -0.559 175.499 176.094 -0.060 0.000 1.020 40 V CA -0.581 61.691 62.300 -0.046 0.000 0.850 40 V CB 1.638 33.498 31.823 0.060 0.000 0.987 40 V HN 0.793 nan 8.190 nan 0.000 0.436 41 L N 4.616 125.783 121.223 -0.093 0.000 2.307 41 L HA 0.686 5.045 4.340 0.032 0.000 0.284 41 L C -0.658 176.190 176.870 -0.038 0.000 1.023 41 L CA -0.100 54.673 54.840 -0.112 0.000 0.810 41 L CB 1.721 43.715 42.059 -0.108 0.000 1.231 41 L HN 0.703 nan 8.230 nan 0.000 0.423 42 D N 2.240 122.620 120.400 -0.033 0.000 2.947 42 D HA 0.568 5.227 4.640 0.032 0.000 0.224 42 D C -1.729 174.557 176.300 -0.024 0.000 1.230 42 D CA -0.254 53.753 54.000 0.012 0.000 0.871 42 D CB 1.827 42.689 40.800 0.103 0.000 1.671 42 D HN 0.217 nan 8.370 nan 0.000 0.507 43 F N 3.183 123.037 119.950 -0.160 0.000 2.608 43 F HA 0.564 5.108 4.527 0.028 0.000 0.309 43 F C -1.683 173.990 175.800 -0.212 0.000 1.103 43 F CA -0.629 57.258 58.000 -0.188 0.000 0.954 43 F CB 1.884 40.733 39.000 -0.250 0.000 1.267 43 F HN 0.187 nan 8.300 nan 0.000 0.444 44 V N 4.007 123.376 119.914 -0.909 0.000 2.313 44 V HA 0.299 4.438 4.120 0.032 0.000 0.278 44 V C -0.064 175.787 176.094 -0.404 0.000 1.017 44 V CA -0.594 61.358 62.300 -0.580 0.000 0.823 44 V CB 1.431 32.743 31.823 -0.852 0.000 1.010 44 V HN 0.825 nan 8.190 nan 0.000 0.443 45 T N 4.943 119.447 114.554 -0.082 0.000 2.851 45 T HA 0.382 4.751 4.350 0.032 0.000 0.298 45 T C -2.072 172.570 174.700 -0.098 0.000 0.977 45 T CA -1.177 60.968 62.100 0.074 0.000 1.126 45 T CB 0.989 69.955 68.868 0.163 0.000 0.916 45 T HN 0.402 nan 8.240 nan 0.000 0.529 46 P HA 0.132 nan 4.420 nan 0.000 0.269 46 P C 0.261 177.529 177.300 -0.052 0.000 1.211 46 P CA -0.214 62.816 63.100 -0.117 0.000 0.781 46 P CB 0.292 31.960 31.700 -0.053 0.000 0.877 47 T N -0.810 113.727 114.554 -0.027 0.000 2.899 47 T HA 0.258 4.627 4.350 0.032 0.000 0.284 47 T C -1.683 173.035 174.700 0.031 0.000 1.004 47 T CA -1.706 60.428 62.100 0.058 0.000 1.043 47 T CB 0.343 69.293 68.868 0.138 0.000 1.013 47 T HN 0.177 nan 8.240 nan 0.000 0.518 48 P HA -0.056 nan 4.420 nan 0.000 0.217 48 P C 1.503 178.799 177.300 -0.007 0.000 1.148 48 P CA 1.058 64.139 63.100 -0.031 0.000 0.828 48 P CB -0.050 31.583 31.700 -0.112 0.000 0.783 49 L N -2.208 119.036 121.223 0.035 0.000 2.599 49 L HA 0.154 4.514 4.340 0.032 0.000 0.230 49 L C 1.254 178.143 176.870 0.031 0.000 1.141 49 L CA 0.699 55.560 54.840 0.035 0.000 0.877 49 L CB -0.922 41.175 42.059 0.064 0.000 1.009 49 L HN 0.132 nan 8.230 nan 0.000 0.447 50 G N 0.696 109.510 108.800 0.024 0.000 2.171 50 G HA2 -0.252 3.727 3.960 0.032 0.000 0.238 50 G HA3 -0.252 3.727 3.960 0.032 0.000 0.238 50 G C 0.278 175.183 174.900 0.008 0.000 1.039 50 G CA 0.285 45.391 45.100 0.010 0.000 0.759 50 G HN 0.370 nan 8.290 nan 0.000 0.501 51 T N -1.993 112.575 114.554 0.024 0.000 2.909 51 T HA 0.835 5.204 4.350 0.032 0.000 0.286 51 T C 0.180 174.820 174.700 -0.100 0.000 1.002 51 T CA -0.521 61.605 62.100 0.043 0.000 1.074 51 T CB 2.317 71.282 68.868 0.161 0.000 0.984 51 T HN 0.604 nan 8.240 nan 0.000 0.495 52 R N 0.637 121.077 120.500 -0.101 0.000 2.817 52 R HA 0.823 5.182 4.340 0.032 0.000 0.268 52 R C -1.533 174.709 176.300 -0.096 0.000 1.027 52 R CA -0.962 54.905 56.100 -0.389 0.000 0.928 52 R CB 1.647 31.766 30.300 -0.302 0.000 1.228 52 R HN 0.887 nan 8.270 nan 0.000 0.469 53 W N -1.188 120.083 121.300 -0.048 0.000 3.005 53 W HA 0.752 5.433 4.660 0.034 0.000 0.343 53 W C -0.500 175.958 176.519 -0.101 0.000 1.243 53 W CA -1.423 55.893 57.345 -0.048 0.000 1.186 53 W CB 0.012 29.454 29.460 -0.029 0.000 1.453 53 W HN 0.699 nan 8.180 nan 0.000 0.575 54 G N 0.942 109.876 108.800 0.223 0.000 2.621 54 G HA2 0.409 4.388 3.960 0.032 0.000 0.271 54 G HA3 0.409 4.388 3.960 0.032 0.000 0.271 54 G C -0.671 174.206 174.900 -0.038 0.000 1.236 54 G CA -0.829 44.259 45.100 -0.019 0.000 0.958 54 G HN 0.913 nan 8.290 nan 0.000 0.512 55 L N 0.127 121.210 121.223 -0.233 0.000 2.516 55 L HA 0.414 4.774 4.340 0.032 0.000 0.288 55 L C 1.368 178.132 176.870 -0.176 0.000 1.246 55 L CA 2.132 56.839 54.840 -0.222 0.000 0.844 55 L CB 0.642 42.437 42.059 -0.439 0.000 1.106 55 L HN 1.341 nan 8.230 nan 0.000 0.509 56 G N 0.989 109.644 108.800 -0.240 0.000 3.753 56 G HA2 0.398 4.378 3.960 0.032 0.000 0.196 56 G HA3 0.398 4.378 3.960 0.032 0.000 0.196 56 G C 0.617 175.338 174.900 -0.298 0.000 1.538 56 G CA 0.208 45.088 45.100 -0.367 0.000 1.040 56 G HN 2.136 nan 8.290 nan 0.000 0.427 57 G N -1.756 106.970 108.800 -0.124 0.000 2.371 57 G HA2 0.391 4.370 3.960 0.032 0.000 0.663 57 G HA3 0.391 4.370 3.960 0.032 0.000 0.663 57 G C 0.521 175.354 174.900 -0.111 0.000 1.311 57 G CA 0.607 45.659 45.100 -0.080 0.000 0.985 57 G HN 1.087 nan 8.290 nan 0.000 0.566 58 T N -0.335 114.171 114.554 -0.080 0.000 2.684 58 T HA -0.216 4.153 4.350 0.032 0.000 0.267 58 T C 2.496 177.083 174.700 -0.187 0.000 1.036 58 T CA 2.527 64.544 62.100 -0.139 0.000 1.148 58 T CB -0.554 68.291 68.868 -0.038 0.000 0.863 58 T HN 0.830 nan 8.240 nan 0.000 0.436 59 c N 1.060 119.584 118.600 -0.128 0.000 2.367 59 c HA -0.126 4.463 4.570 0.032 0.000 0.276 59 c C 2.823 176.810 174.090 -0.171 0.000 1.195 59 c CA 1.161 57.414 56.329 -0.126 0.000 1.756 59 c CB -1.189 41.269 42.510 -0.087 0.000 2.046 59 c HN 0.437 nan 8.230 nan 0.000 0.453 60 V N 1.290 121.111 119.914 -0.154 0.000 2.343 60 V HA -0.181 3.958 4.120 0.032 0.000 0.247 60 V C 2.092 178.055 176.094 -0.219 0.000 1.051 60 V CA 2.326 64.542 62.300 -0.140 0.000 1.036 60 V CB -0.688 31.090 31.823 -0.075 0.000 0.654 60 V HN 0.581 nan 8.190 nan 0.000 0.451 61 N N -0.154 118.352 118.700 -0.324 0.000 2.432 61 N HA 0.042 4.801 4.740 0.032 0.000 0.174 61 N C 1.240 176.436 175.510 -0.523 0.000 1.037 61 N CA 1.526 54.299 53.050 -0.462 0.000 0.892 61 N CB 1.415 39.441 38.487 -0.767 0.000 1.049 61 N HN 0.541 nan 8.380 nan 0.000 0.442 62 V N -2.749 116.861 119.914 -0.505 0.000 3.265 62 V HA 0.599 4.738 4.120 0.032 0.000 0.346 62 V C 0.334 176.351 176.094 -0.128 0.000 1.447 62 V CA 0.018 62.193 62.300 -0.209 0.000 1.179 62 V CB 0.478 32.070 31.823 -0.386 0.000 1.103 62 V HN 0.102 nan 8.190 nan 0.000 0.530 63 G N -0.077 108.531 108.800 -0.320 0.000 3.259 63 G HA2 0.215 4.195 3.960 0.032 0.000 0.193 63 G HA3 0.215 4.195 3.960 0.032 0.000 0.193 63 G C 1.016 175.752 174.900 -0.274 0.000 1.457 63 G CA 0.695 45.676 45.100 -0.198 0.000 0.771 63 G HN 0.336 nan 8.290 nan 0.000 0.765 64 c N 0.512 119.008 118.600 -0.173 0.000 2.328 64 c HA -0.131 4.458 4.570 0.032 0.000 0.276 64 c C 2.691 176.613 174.090 -0.280 0.000 1.173 64 c CA 0.962 57.176 56.329 -0.192 0.000 1.774 64 c CB -1.447 40.979 42.510 -0.141 0.000 2.009 64 c HN 0.446 nan 8.230 nan 0.000 0.436 65 I N 2.437 122.857 120.570 -0.250 0.000 2.043 65 I HA -0.145 4.044 4.170 0.032 0.000 0.231 65 I C -0.279 175.633 176.117 -0.342 0.000 1.024 65 I CA 2.043 63.202 61.300 -0.234 0.000 1.309 65 I CB -2.057 35.852 38.000 -0.151 0.000 1.030 65 I HN 0.180 nan 8.210 nan 0.000 0.389 66 P HA -0.250 nan 4.420 nan 0.000 0.216 66 P C 1.650 178.520 177.300 -0.717 0.000 1.154 66 P CA 1.786 64.495 63.100 -0.652 0.000 0.865 66 P CB -0.209 30.834 31.700 -1.094 0.000 0.789 67 K N 0.639 120.596 120.400 -0.738 0.000 1.969 67 K HA -0.243 4.097 4.320 0.032 0.000 0.216 67 K C 2.120 178.510 176.600 -0.349 0.000 1.048 67 K CA 2.137 58.178 56.287 -0.410 0.000 0.948 67 K CB -0.775 31.636 32.500 -0.148 0.000 0.726 67 K HN -0.160 nan 8.250 nan 0.000 0.442 68 K N 0.802 120.993 120.400 -0.347 0.000 2.015 68 K HA -0.177 4.162 4.320 0.032 0.000 0.216 68 K C 2.317 178.787 176.600 -0.218 0.000 1.052 68 K CA 1.689 57.779 56.287 -0.327 0.000 0.937 68 K CB -0.650 31.587 32.500 -0.438 0.000 0.719 68 K HN 0.183 nan 8.250 nan 0.000 0.446 69 L N 0.431 121.494 121.223 -0.266 0.000 2.051 69 L HA -0.203 4.157 4.340 0.032 0.000 0.214 69 L C 2.442 179.169 176.870 -0.237 0.000 1.076 69 L CA 1.983 56.682 54.840 -0.234 0.000 0.758 69 L CB -0.394 41.523 42.059 -0.237 0.000 0.890 69 L HN 0.379 nan 8.230 nan 0.000 0.433 70 M N -2.585 116.789 119.600 -0.376 0.000 2.319 70 M HA -0.173 4.327 4.480 0.032 0.000 0.265 70 M C 2.217 178.339 176.300 -0.298 0.000 1.068 70 M CA 0.955 55.976 55.300 -0.465 0.000 1.118 70 M CB -0.411 31.618 32.600 -0.952 0.000 1.395 70 M HN 0.331 nan 8.290 nan 0.000 0.435 71 H N 0.600 119.471 119.070 -0.331 0.000 2.353 71 H HA -0.204 4.371 4.556 0.032 0.000 0.300 71 H C 1.934 177.273 175.328 0.017 0.000 1.090 71 H CA 2.254 58.288 56.048 -0.023 0.000 1.327 71 H CB -0.240 29.548 29.762 0.043 0.000 1.383 71 H HN 0.271 nan 8.280 nan 0.000 0.508 72 Q N 0.599 120.359 119.800 -0.066 0.000 2.077 72 Q HA -0.110 4.249 4.340 0.032 0.000 0.206 72 Q C 2.420 178.387 176.000 -0.055 0.000 0.989 72 Q CA 2.299 58.024 55.803 -0.131 0.000 0.853 72 Q CB -0.910 27.754 28.738 -0.124 0.000 0.907 72 Q HN 0.549 nan 8.270 nan 0.000 0.418 73 A N 0.123 122.937 122.820 -0.011 0.000 1.933 73 A HA -0.037 4.303 4.320 0.032 0.000 0.218 73 A C 2.284 179.941 177.584 0.123 0.000 1.175 73 A CA 1.924 54.007 52.037 0.076 0.000 0.628 73 A CB -1.129 17.966 19.000 0.158 0.000 0.814 73 A HN 0.549 nan 8.150 nan 0.000 0.444 74 A N -0.395 122.509 122.820 0.140 0.000 1.898 74 A HA 0.014 4.353 4.320 0.032 0.000 0.216 74 A C 2.143 179.809 177.584 0.138 0.000 1.181 74 A CA 1.377 53.534 52.037 0.200 0.000 0.620 74 A CB -0.518 18.686 19.000 0.340 0.000 0.819 74 A HN 0.459 nan 8.150 nan 0.000 0.442 75 L N -0.685 120.570 121.223 0.053 0.000 2.141 75 L HA -0.089 4.271 4.340 0.032 0.000 0.209 75 L C 2.332 179.207 176.870 0.007 0.000 1.094 75 L CA 0.710 55.552 54.840 0.003 0.000 0.763 75 L CB -0.353 41.630 42.059 -0.128 0.000 0.908 75 L HN 0.373 nan 8.230 nan 0.000 0.437 76 L N -0.768 120.456 121.223 0.002 0.000 2.291 76 L HA -0.076 4.283 4.340 0.032 0.000 0.214 76 L C 2.514 179.391 176.870 0.012 0.000 1.120 76 L CA 0.800 55.632 54.840 -0.013 0.000 0.799 76 L CB -0.760 41.283 42.059 -0.025 0.000 0.925 76 L HN 0.282 nan 8.230 nan 0.000 0.446 77 G N -0.732 108.103 108.800 0.058 0.000 2.404 77 G HA2 -0.314 3.666 3.960 0.032 0.000 0.215 77 G HA3 -0.314 3.666 3.960 0.032 0.000 0.215 77 G C 1.458 176.384 174.900 0.043 0.000 1.174 77 G CA 0.460 45.602 45.100 0.071 0.000 0.780 77 G HN 0.232 nan 8.290 nan 0.000 0.537 78 Q N 0.896 120.723 119.800 0.045 0.000 2.030 78 Q HA 0.019 4.379 4.340 0.032 0.000 0.204 78 Q C 2.761 178.760 176.000 -0.002 0.000 0.986 78 Q CA 2.184 58.001 55.803 0.024 0.000 0.843 78 Q CB -0.875 27.880 28.738 0.027 0.000 0.904 78 Q HN 0.357 nan 8.270 nan 0.000 0.420 79 A N 0.349 123.160 122.820 -0.016 0.000 1.958 79 A HA -0.217 4.122 4.320 0.032 0.000 0.221 79 A C 2.127 179.676 177.584 -0.060 0.000 1.178 79 A CA 1.708 53.714 52.037 -0.052 0.000 0.642 79 A CB -0.974 17.982 19.000 -0.075 0.000 0.816 79 A HN 0.496 nan 8.150 nan 0.000 0.453 80 L N -1.708 119.491 121.223 -0.040 0.000 2.191 80 L HA -0.216 4.143 4.340 0.032 0.000 0.212 80 L C 2.772 179.644 176.870 0.005 0.000 1.103 80 L CA 1.780 56.601 54.840 -0.033 0.000 0.769 80 L CB -0.438 41.612 42.059 -0.016 0.000 0.908 80 L HN 0.519 nan 8.230 nan 0.000 0.438 81 Q N -0.667 119.143 119.800 0.017 0.000 2.250 81 Q HA -0.126 4.233 4.340 0.032 0.000 0.200 81 Q C 1.746 177.783 176.000 0.061 0.000 0.941 81 Q CA 0.908 56.733 55.803 0.038 0.000 0.872 81 Q CB 0.284 29.039 28.738 0.028 0.000 0.965 81 Q HN 0.331 nan 8.270 nan 0.000 0.480 82 D N -0.533 119.894 120.400 0.046 0.000 2.097 82 D HA -0.152 4.507 4.640 0.032 0.000 0.197 82 D C 1.893 178.286 176.300 0.156 0.000 0.984 82 D CA 1.587 55.644 54.000 0.094 0.000 0.826 82 D CB -0.489 40.330 40.800 0.030 0.000 0.973 82 D HN 0.258 nan 8.370 nan 0.000 0.460 83 S N 0.612 116.353 115.700 0.069 0.000 2.434 83 S HA -0.309 4.181 4.470 0.032 0.000 0.243 83 S C 1.907 176.728 174.600 0.368 0.000 1.045 83 S CA 1.238 59.542 58.200 0.173 0.000 1.019 83 S CB -0.344 62.844 63.200 -0.019 0.000 0.811 83 S HN 0.190 nan 8.310 nan 0.000 0.485 84 R N 1.331 121.978 120.500 0.245 0.000 2.096 84 R HA -0.049 4.310 4.340 0.032 0.000 0.229 84 R C 2.062 178.497 176.300 0.225 0.000 1.134 84 R CA 1.863 58.092 56.100 0.215 0.000 0.917 84 R CB -0.540 29.845 30.300 0.140 0.000 0.832 84 R HN 0.434 nan 8.270 nan 0.000 0.430 85 N N -0.385 118.450 118.700 0.226 0.000 2.443 85 N HA -0.151 4.608 4.740 0.032 0.000 0.184 85 N C 0.923 176.528 175.510 0.158 0.000 1.037 85 N CA 1.037 54.184 53.050 0.162 0.000 0.896 85 N CB -0.087 38.478 38.487 0.131 0.000 0.959 85 N HN 0.357 nan 8.380 nan 0.000 0.442 86 Y N -1.359 119.007 120.300 0.109 0.000 2.546 86 Y HA 0.182 4.752 4.550 0.033 0.000 0.287 86 Y C 1.752 177.623 175.900 -0.049 0.000 1.158 86 Y CA 0.318 58.466 58.100 0.079 0.000 1.307 86 Y CB 0.490 39.064 38.460 0.190 0.000 1.036 86 Y HN 0.130 nan 8.280 nan 0.000 0.532 87 G N -1.747 107.106 108.800 0.089 0.000 2.260 87 G HA2 -0.215 3.764 3.960 0.032 0.000 0.179 87 G HA3 -0.215 3.764 3.960 0.032 0.000 0.179 87 G C -0.442 174.355 174.900 -0.171 0.000 1.002 87 G CA -0.742 44.289 45.100 -0.115 0.000 0.677 87 G HN 0.212 nan 8.290 nan 0.000 0.486 88 W N 2.377 123.724 121.300 0.079 0.000 2.322 88 W HA 0.614 5.294 4.660 0.033 0.000 0.307 88 W C 0.676 177.219 176.519 0.040 0.000 1.220 88 W CA -0.674 56.700 57.345 0.048 0.000 1.210 88 W CB 0.752 30.234 29.460 0.036 0.000 1.223 88 W HN -0.092 nan 8.180 nan 0.000 0.511 89 K N 3.548 124.093 120.400 0.241 0.000 2.127 89 K HA 0.286 4.625 4.320 0.032 0.000 0.261 89 K C -0.381 176.304 176.600 0.142 0.000 1.129 89 K CA -0.226 56.150 56.287 0.148 0.000 0.993 89 K CB 0.121 32.678 32.500 0.096 0.000 1.410 89 K HN 0.238 nan 8.250 nan 0.000 0.380 90 V N 1.758 121.750 119.914 0.129 0.000 3.019 90 V HA 0.197 4.336 4.120 0.032 0.000 0.317 90 V C 0.151 176.285 176.094 0.066 0.000 1.094 90 V CA -1.158 61.195 62.300 0.089 0.000 1.000 90 V CB 2.013 33.882 31.823 0.077 0.000 1.060 90 V HN 0.542 nan 8.190 nan 0.000 0.443 91 E N 0.858 121.088 120.200 0.049 0.000 2.409 91 E HA 0.072 4.441 4.350 0.032 0.000 0.257 91 E C 1.149 177.774 176.600 0.042 0.000 1.150 91 E CA 0.325 56.750 56.400 0.041 0.000 0.942 91 E CB 0.326 30.046 29.700 0.033 0.000 0.979 91 E HN 0.843 nan 8.360 nan 0.000 0.447 92 E N -0.047 120.175 120.200 0.037 0.000 2.150 92 E HA -0.107 4.262 4.350 0.032 0.000 0.193 92 E C -0.015 176.605 176.600 0.033 0.000 0.985 92 E CA 1.137 57.559 56.400 0.035 0.000 0.814 92 E CB -0.023 29.695 29.700 0.030 0.000 0.752 92 E HN 0.414 nan 8.360 nan 0.000 0.466 93 T N -1.359 113.215 114.554 0.033 0.000 3.071 93 T HA 0.549 4.918 4.350 0.032 0.000 0.311 93 T C -0.640 174.082 174.700 0.038 0.000 1.042 93 T CA -1.004 61.117 62.100 0.036 0.000 1.028 93 T CB 1.777 70.666 68.868 0.034 0.000 1.068 93 T HN -0.020 nan 8.240 nan 0.000 0.451 94 V N 3.077 123.017 119.914 0.042 0.000 2.732 94 V HA 0.566 4.705 4.120 0.032 0.000 0.310 94 V C 0.227 176.358 176.094 0.060 0.000 1.053 94 V CA -1.003 61.321 62.300 0.040 0.000 0.957 94 V CB 1.864 33.703 31.823 0.027 0.000 1.018 94 V HN 0.887 nan 8.190 nan 0.000 0.452 95 K N 2.041 122.476 120.400 0.057 0.000 2.098 95 K HA 0.474 4.814 4.320 0.032 0.000 0.258 95 K C -0.837 175.831 176.600 0.112 0.000 0.973 95 K CA -0.712 55.629 56.287 0.088 0.000 0.898 95 K CB 0.920 33.463 32.500 0.072 0.000 1.057 95 K HN 0.657 nan 8.250 nan 0.000 0.447 96 H N 1.911 121.027 119.070 0.076 0.000 2.505 96 H HA 0.123 4.698 4.556 0.031 0.000 0.338 96 H C -1.460 173.946 175.328 0.130 0.000 1.057 96 H CA -0.704 55.402 56.048 0.098 0.000 1.202 96 H CB 1.364 31.198 29.762 0.120 0.000 1.466 96 H HN 0.623 nan 8.280 nan 0.000 0.499 97 D N 5.645 126.264 120.400 0.364 0.000 2.443 97 D HA -0.061 4.598 4.640 0.032 0.000 0.221 97 D C 1.179 177.782 176.300 0.505 0.000 1.097 97 D CA -0.518 53.688 54.000 0.343 0.000 0.865 97 D CB 0.150 41.038 40.800 0.147 0.000 1.034 97 D HN 0.620 nan 8.370 nan 0.000 0.511 98 W N 4.746 126.216 121.300 0.284 0.000 2.311 98 W HA -0.263 4.411 4.660 0.025 0.000 0.326 98 W C 0.520 177.135 176.519 0.161 0.000 1.239 98 W CA 1.968 59.428 57.345 0.193 0.000 1.258 98 W CB -0.349 29.182 29.460 0.117 0.000 1.165 98 W HN 0.411 nan 8.180 nan 0.000 0.466 99 D N -0.071 120.572 120.400 0.404 0.000 2.248 99 D HA -0.327 4.333 4.640 0.032 0.000 0.189 99 D C 2.133 178.458 176.300 0.042 0.000 1.011 99 D CA 3.155 57.275 54.000 0.200 0.000 0.868 99 D CB -0.586 40.346 40.800 0.220 0.000 0.931 99 D HN 0.050 nan 8.370 nan 0.000 0.449 100 R N -0.005 120.540 120.500 0.074 0.000 2.120 100 R HA -0.044 4.315 4.340 0.032 0.000 0.234 100 R C 2.070 178.357 176.300 -0.021 0.000 1.123 100 R CA 1.120 57.233 56.100 0.021 0.000 0.975 100 R CB -0.253 30.058 30.300 0.018 0.000 0.866 100 R HN 0.331 nan 8.270 nan 0.000 0.446 101 M N -0.404 119.192 119.600 -0.007 0.000 2.081 101 M HA -0.114 4.386 4.480 0.032 0.000 0.261 101 M C 1.466 177.660 176.300 -0.177 0.000 1.075 101 M CA 1.601 56.872 55.300 -0.048 0.000 1.133 101 M CB -0.071 32.571 32.600 0.069 0.000 1.330 101 M HN 0.125 nan 8.290 nan 0.000 0.414 102 I N 1.101 121.454 120.570 -0.361 0.000 2.181 102 I HA -0.354 3.835 4.170 0.032 0.000 0.247 102 I C 2.409 178.426 176.117 -0.167 0.000 1.081 102 I CA 2.070 63.143 61.300 -0.378 0.000 1.340 102 I CB -1.771 35.929 38.000 -0.500 0.000 1.036 102 I HN 0.595 nan 8.210 nan 0.000 0.417 103 E N 0.922 121.055 120.200 -0.111 0.000 2.058 103 E HA -0.229 4.141 4.350 0.032 0.000 0.194 103 E C 2.310 178.886 176.600 -0.040 0.000 0.997 103 E CA 1.609 57.980 56.400 -0.048 0.000 0.801 103 E CB 0.029 29.716 29.700 -0.022 0.000 0.746 103 E HN 0.446 nan 8.360 nan 0.000 0.450 104 A N 0.714 123.502 122.820 -0.053 0.000 1.883 104 A HA -0.174 4.165 4.320 0.032 0.000 0.217 104 A C 2.472 180.036 177.584 -0.033 0.000 1.186 104 A CA 1.701 53.713 52.037 -0.042 0.000 0.624 104 A CB -0.943 18.021 19.000 -0.060 0.000 0.822 104 A HN 0.249 nan 8.150 nan 0.000 0.444 105 V N -0.041 119.833 119.914 -0.067 0.000 2.252 105 V HA -0.306 3.833 4.120 0.032 0.000 0.249 105 V C 2.808 178.892 176.094 -0.017 0.000 1.056 105 V CA 2.285 64.546 62.300 -0.064 0.000 1.022 105 V CB -0.720 31.032 31.823 -0.119 0.000 0.641 105 V HN 0.557 nan 8.190 nan 0.000 0.445 106 Q N -0.247 119.541 119.800 -0.020 0.000 2.124 106 Q HA -0.156 4.203 4.340 0.032 0.000 0.202 106 Q C 2.050 178.069 176.000 0.032 0.000 0.977 106 Q CA 1.589 57.398 55.803 0.011 0.000 0.850 106 Q CB -0.721 28.028 28.738 0.017 0.000 0.901 106 Q HN 0.754 nan 8.270 nan 0.000 0.429 107 N N -0.523 118.196 118.700 0.030 0.000 2.309 107 N HA -0.176 4.583 4.740 0.032 0.000 0.182 107 N C 1.600 177.146 175.510 0.059 0.000 1.018 107 N CA 0.610 53.684 53.050 0.040 0.000 0.876 107 N CB -0.074 38.428 38.487 0.024 0.000 0.972 107 N HN 0.282 nan 8.380 nan 0.000 0.434 108 H N 1.375 120.429 119.070 -0.027 0.000 2.343 108 H HA 0.141 4.716 4.556 0.032 0.000 0.303 108 H C 1.981 177.297 175.328 -0.021 0.000 1.068 108 H CA 1.000 57.026 56.048 -0.036 0.000 1.359 108 H CB -0.070 29.652 29.762 -0.067 0.000 1.402 108 H HN 0.073 nan 8.280 nan 0.000 0.515 109 I N 0.063 120.569 120.570 -0.106 0.000 2.194 109 I HA -0.245 3.945 4.170 0.032 0.000 0.246 109 I C 2.685 178.760 176.117 -0.071 0.000 1.093 109 I CA 1.277 62.499 61.300 -0.130 0.000 1.355 109 I CB -0.952 37.011 38.000 -0.062 0.000 1.046 109 I HN 0.445 nan 8.210 nan 0.000 0.413 110 G N 1.536 110.354 108.800 0.031 0.000 2.586 110 G HA2 -0.346 3.633 3.960 0.032 0.000 0.218 110 G HA3 -0.346 3.633 3.960 0.032 0.000 0.218 110 G C 1.770 176.805 174.900 0.225 0.000 1.216 110 G CA 1.694 46.911 45.100 0.196 0.000 0.786 110 G HN 0.516 nan 8.290 nan 0.000 0.583 111 S N 1.110 116.849 115.700 0.066 0.000 2.389 111 S HA -0.200 4.289 4.470 0.032 0.000 0.231 111 S C 2.334 176.885 174.600 -0.082 0.000 1.052 111 S CA 1.679 59.883 58.200 0.007 0.000 1.053 111 S CB -0.605 62.542 63.200 -0.089 0.000 0.886 111 S HN 0.319 nan 8.310 nan 0.000 0.456 112 L N 1.915 123.004 121.223 -0.222 0.000 2.017 112 L HA -0.161 4.198 4.340 0.032 0.000 0.208 112 L C 2.706 179.498 176.870 -0.130 0.000 1.073 112 L CA 1.412 56.106 54.840 -0.243 0.000 0.745 112 L CB -0.984 40.943 42.059 -0.220 0.000 0.894 112 L HN 0.282 nan 8.230 nan 0.000 0.432 113 N N -0.109 118.529 118.700 -0.103 0.000 2.011 113 N HA -0.241 4.518 4.740 0.032 0.000 0.199 113 N C 1.581 176.830 175.510 -0.435 0.000 1.047 113 N CA 2.015 54.885 53.050 -0.300 0.000 0.863 113 N CB -0.703 37.447 38.487 -0.562 0.000 1.056 113 N HN 0.412 nan 8.380 nan 0.000 0.427 114 W N 1.134 122.396 121.300 -0.064 0.000 2.425 114 W HA 0.075 4.749 4.660 0.024 0.000 0.277 114 W C 2.533 178.981 176.519 -0.117 0.000 1.231 114 W CA 0.682 57.980 57.345 -0.079 0.000 1.248 114 W CB -0.790 28.630 29.460 -0.067 0.000 1.117 114 W HN 0.144 nan 8.180 nan 0.000 0.568 115 G N -0.163 108.623 108.800 -0.024 0.000 2.433 115 G HA2 -0.310 3.669 3.960 0.032 0.000 0.216 115 G HA3 -0.310 3.669 3.960 0.032 0.000 0.216 115 G C 1.112 175.876 174.900 -0.226 0.000 1.186 115 G CA 1.022 46.025 45.100 -0.161 0.000 0.779 115 G HN 0.195 nan 8.290 nan 0.000 0.543 116 Y N 0.698 120.912 120.300 -0.143 0.000 2.207 116 Y HA -0.120 4.448 4.550 0.031 0.000 0.287 116 Y C 2.941 178.709 175.900 -0.219 0.000 1.156 116 Y CA 1.555 59.545 58.100 -0.183 0.000 1.182 116 Y CB -0.424 37.897 38.460 -0.232 0.000 0.979 116 Y HN 0.101 nan 8.280 nan 0.000 0.521 117 R N 0.308 120.733 120.500 -0.124 0.000 2.082 117 R HA -0.159 4.201 4.340 0.032 0.000 0.234 117 R C 2.117 178.372 176.300 -0.076 0.000 1.136 117 R CA 2.077 58.058 56.100 -0.198 0.000 0.935 117 R CB -1.026 29.169 30.300 -0.177 0.000 0.842 117 R HN 0.187 nan 8.270 nan 0.000 0.430 118 V N 0.862 120.767 119.914 -0.015 0.000 2.287 118 V HA -0.235 3.904 4.120 0.032 0.000 0.248 118 V C 2.425 178.502 176.094 -0.028 0.000 1.053 118 V CA 1.984 64.283 62.300 -0.002 0.000 1.027 118 V CB -1.311 30.516 31.823 0.005 0.000 0.646 118 V HN 0.548 nan 8.190 nan 0.000 0.447 119 A N 0.022 122.811 122.820 -0.050 0.000 1.927 119 A HA -0.251 4.089 4.320 0.032 0.000 0.220 119 A C 2.274 179.843 177.584 -0.025 0.000 1.185 119 A CA 2.427 54.437 52.037 -0.044 0.000 0.639 119 A CB -0.650 18.322 19.000 -0.046 0.000 0.820 119 A HN 0.525 nan 8.150 nan 0.000 0.451 120 L N -1.771 119.436 121.223 -0.028 0.000 2.044 120 L HA -0.115 4.244 4.340 0.032 0.000 0.205 120 L C 2.768 179.630 176.870 -0.014 0.000 1.075 120 L CA 1.443 56.268 54.840 -0.024 0.000 0.747 120 L CB -0.483 41.547 42.059 -0.049 0.000 0.903 120 L HN 0.414 nan 8.230 nan 0.000 0.435 121 R N 0.301 120.794 120.500 -0.011 0.000 2.112 121 R HA -0.282 4.077 4.340 0.032 0.000 0.242 121 R C 2.256 178.556 176.300 -0.000 0.000 1.137 121 R CA 2.344 58.449 56.100 0.008 0.000 0.944 121 R CB -0.302 30.008 30.300 0.018 0.000 0.857 121 R HN 0.393 nan 8.270 nan 0.000 0.435 122 E N 0.127 120.320 120.200 -0.010 0.000 2.204 122 E HA -0.192 4.177 4.350 0.032 0.000 0.194 122 E C 1.239 177.824 176.600 -0.025 0.000 0.989 122 E CA 1.050 57.440 56.400 -0.017 0.000 0.824 122 E CB 0.157 29.843 29.700 -0.024 0.000 0.756 122 E HN 0.017 nan 8.360 nan 0.000 0.477 123 K N 0.943 121.327 120.400 -0.027 0.000 2.505 123 K HA 0.035 4.374 4.320 0.032 0.000 0.192 123 K C -0.370 176.210 176.600 -0.034 0.000 1.025 123 K CA 0.203 56.467 56.287 -0.038 0.000 1.086 123 K CB 0.010 32.486 32.500 -0.040 0.000 0.840 123 K HN 0.045 nan 8.250 nan 0.000 0.514 124 K N -0.551 119.837 120.400 -0.020 0.000 3.244 124 K HA -0.149 4.190 4.320 0.032 0.000 0.270 124 K C -1.124 175.472 176.600 -0.006 0.000 1.016 124 K CA 0.296 56.575 56.287 -0.013 0.000 0.754 124 K CB -1.821 30.664 32.500 -0.025 0.000 1.326 124 K HN -0.066 nan 8.250 nan 0.000 0.465 125 V N 0.926 120.844 119.914 0.008 0.000 2.628 125 V HA 0.374 4.514 4.120 0.032 0.000 0.306 125 V C 0.305 176.433 176.094 0.057 0.000 1.045 125 V CA -0.999 61.315 62.300 0.023 0.000 0.905 125 V CB 2.183 34.011 31.823 0.008 0.000 0.997 125 V HN 0.078 nan 8.190 nan 0.000 0.436 126 V N 4.659 124.625 119.914 0.088 0.000 2.432 126 V HA 0.343 4.482 4.120 0.032 0.000 0.275 126 V C -0.732 175.419 176.094 0.096 0.000 1.043 126 V CA -0.440 61.923 62.300 0.106 0.000 0.925 126 V CB 0.954 32.878 31.823 0.169 0.000 0.985 126 V HN 0.791 nan 8.190 nan 0.000 0.466 127 Y N 4.187 124.461 120.300 -0.043 0.000 2.350 127 Y HA 0.658 5.225 4.550 0.030 0.000 0.338 127 Y C -0.341 175.522 175.900 -0.060 0.000 0.961 127 Y CA -0.623 57.434 58.100 -0.071 0.000 1.100 127 Y CB 1.621 40.046 38.460 -0.058 0.000 1.179 127 Y HN 0.565 nan 8.280 nan 0.000 0.454 128 E N 5.051 124.881 120.200 -0.617 0.000 2.199 128 E HA 0.109 4.478 4.350 0.032 0.000 0.265 128 E C -1.092 174.988 176.600 -0.868 0.000 0.882 128 E CA -0.645 55.375 56.400 -0.633 0.000 0.759 128 E CB 1.625 31.145 29.700 -0.300 0.000 1.148 128 E HN 0.869 nan 8.360 nan 0.000 0.412 129 N N 2.115 120.348 118.700 -0.779 0.000 3.103 129 N HA 0.206 4.965 4.740 0.032 0.000 0.305 129 N C -1.001 174.530 175.510 0.034 0.000 1.232 129 N CA -0.036 52.757 53.050 -0.429 0.000 1.190 129 N CB 0.069 38.429 38.487 -0.213 0.000 1.461 129 N HN 0.383 nan 8.380 nan 0.000 0.538 130 A N 1.952 124.817 122.820 0.075 0.000 2.515 130 A HA 0.288 4.628 4.320 0.032 0.000 0.296 130 A C -1.655 176.039 177.584 0.183 0.000 1.094 130 A CA -0.641 51.526 52.037 0.216 0.000 0.718 130 A CB 0.854 19.890 19.000 0.060 0.000 1.307 130 A HN 0.559 nan 8.150 nan 0.000 0.408 131 Y N 0.816 121.030 120.300 -0.142 0.000 2.335 131 Y HA 0.465 5.032 4.550 0.029 0.000 0.331 131 Y C 0.839 176.693 175.900 -0.078 0.000 1.094 131 Y CA 0.397 58.413 58.100 -0.140 0.000 1.253 131 Y CB 0.898 39.111 38.460 -0.412 0.000 1.203 131 Y HN 0.788 nan 8.280 nan 0.000 0.508 132 G N 4.816 113.831 108.800 0.358 0.000 2.416 132 G HA2 0.556 4.536 3.960 0.032 0.000 0.329 132 G HA3 0.556 4.536 3.960 0.032 0.000 0.329 132 G C -1.719 173.341 174.900 0.266 0.000 1.173 132 G CA -0.682 44.542 45.100 0.207 0.000 0.929 132 G HN 0.655 nan 8.290 nan 0.000 0.475 133 Q N 0.550 120.403 119.800 0.089 0.000 2.268 133 Q HA 0.257 4.616 4.340 0.032 0.000 0.266 133 Q C -1.391 174.625 176.000 0.028 0.000 1.006 133 Q CA -0.632 55.212 55.803 0.069 0.000 0.824 133 Q CB 2.681 31.421 28.738 0.002 0.000 1.306 133 Q HN 0.524 nan 8.270 nan 0.000 0.424 134 F N 2.735 122.693 119.950 0.013 0.000 2.484 134 F HA 0.104 4.651 4.527 0.033 0.000 0.360 134 F C 1.544 177.328 175.800 -0.026 0.000 1.101 134 F CA 0.250 58.227 58.000 -0.038 0.000 1.251 134 F CB 0.565 39.496 39.000 -0.115 0.000 1.132 134 F HN 0.569 nan 8.300 nan 0.000 0.570 135 I N -0.645 120.032 120.570 0.178 0.000 4.032 135 I HA 0.615 4.804 4.170 0.032 0.000 0.313 135 I C 0.728 176.901 176.117 0.093 0.000 1.272 135 I CA 0.188 61.549 61.300 0.102 0.000 1.307 135 I CB 0.454 38.494 38.000 0.067 0.000 1.155 135 I HN 0.535 nan 8.210 nan 0.000 0.431 136 G N 0.711 109.587 108.800 0.126 0.000 2.506 136 G HA2 0.423 4.402 3.960 0.032 0.000 0.292 136 G HA3 0.423 4.402 3.960 0.032 0.000 0.292 136 G C -3.211 171.771 174.900 0.138 0.000 1.425 136 G CA -1.100 44.060 45.100 0.099 0.000 0.788 136 G HN -0.239 nan 8.290 nan 0.000 0.490 137 P HA 0.038 nan 4.420 nan 0.000 0.261 137 P C 0.035 177.510 177.300 0.291 0.000 1.165 137 P CA 0.775 63.974 63.100 0.166 0.000 0.759 137 P CB -0.041 31.744 31.700 0.142 0.000 0.772 138 H N -0.057 119.232 119.070 0.365 0.000 2.781 138 H HA -0.226 4.349 4.556 0.032 0.000 0.301 138 H C 0.074 175.691 175.328 0.482 0.000 1.124 138 H CA 1.000 57.319 56.048 0.452 0.000 1.154 138 H CB -1.037 28.967 29.762 0.403 0.000 1.355 138 H HN 0.522 nan 8.280 nan 0.000 0.385 139 R N -0.184 120.557 120.500 0.401 0.000 2.628 139 R HA 0.674 5.034 4.340 0.032 0.000 0.288 139 R C -0.586 175.859 176.300 0.241 0.000 0.980 139 R CA -0.760 55.555 56.100 0.359 0.000 0.891 139 R CB 2.489 32.939 30.300 0.249 0.000 1.188 139 R HN 0.105 nan 8.270 nan 0.000 0.450 140 I N 1.101 121.825 120.570 0.256 0.000 2.730 140 I HA 0.361 4.550 4.170 0.032 0.000 0.298 140 I C -1.262 174.913 176.117 0.096 0.000 1.089 140 I CA -0.606 60.763 61.300 0.115 0.000 1.041 140 I CB 1.833 39.916 38.000 0.137 0.000 1.235 140 I HN 0.454 nan 8.210 nan 0.000 0.423 141 K N 6.350 126.776 120.400 0.043 0.000 2.316 141 K HA 0.749 5.088 4.320 0.032 0.000 0.267 141 K C -1.220 175.399 176.600 0.032 0.000 1.025 141 K CA -0.566 55.727 56.287 0.011 0.000 0.896 141 K CB 1.219 33.710 32.500 -0.015 0.000 1.124 141 K HN 0.669 nan 8.250 nan 0.000 0.451 142 A N 3.960 126.815 122.820 0.058 0.000 2.316 142 A HA 0.290 4.629 4.320 0.032 0.000 0.311 142 A C -0.451 177.150 177.584 0.027 0.000 1.339 142 A CA -0.465 51.633 52.037 0.102 0.000 0.960 142 A CB 0.343 19.510 19.000 0.279 0.000 1.152 142 A HN 0.714 nan 8.150 nan 0.000 0.547 143 T N 3.219 117.762 114.554 -0.019 0.000 2.806 143 T HA 0.371 4.740 4.350 0.032 0.000 0.290 143 T C 0.683 175.315 174.700 -0.113 0.000 0.966 143 T CA -0.558 61.491 62.100 -0.085 0.000 1.060 143 T CB 0.795 69.567 68.868 -0.160 0.000 0.927 143 T HN 0.881 nan 8.240 nan 0.000 0.485 144 N N 2.066 120.726 118.700 -0.068 0.000 2.514 144 N HA 0.158 4.917 4.740 0.032 0.000 0.299 144 N C 0.979 176.468 175.510 -0.036 0.000 1.292 144 N CA -0.650 52.393 53.050 -0.012 0.000 0.963 144 N CB 0.036 38.549 38.487 0.043 0.000 1.124 144 N HN 0.386 nan 8.380 nan 0.000 0.580 145 N N -1.188 117.594 118.700 0.137 0.000 2.216 145 N HA -0.113 4.646 4.740 0.032 0.000 0.183 145 N C 0.877 176.431 175.510 0.075 0.000 1.017 145 N CA 1.093 54.253 53.050 0.184 0.000 0.861 145 N CB -0.048 38.596 38.487 0.262 0.000 0.986 145 N HN 0.443 nan 8.380 nan 0.000 0.428 146 K N -0.606 119.823 120.400 0.049 0.000 2.444 146 K HA 0.217 4.556 4.320 0.032 0.000 0.193 146 K C 0.742 177.341 176.600 -0.002 0.000 1.024 146 K CA 0.510 56.813 56.287 0.026 0.000 1.077 146 K CB -0.369 32.148 32.500 0.029 0.000 0.833 146 K HN 0.334 nan 8.250 nan 0.000 0.517 147 G N 0.144 108.930 108.800 -0.023 0.000 2.238 147 G HA2 -0.241 3.738 3.960 0.032 0.000 0.217 147 G HA3 -0.241 3.738 3.960 0.032 0.000 0.217 147 G C -0.047 174.827 174.900 -0.045 0.000 0.996 147 G CA 0.057 45.128 45.100 -0.047 0.000 0.632 147 G HN 0.261 nan 8.290 nan 0.000 0.503 148 K N 2.179 122.564 120.400 -0.026 0.000 2.436 148 K HA 0.482 4.822 4.320 0.032 0.000 0.275 148 K C 0.821 177.401 176.600 -0.034 0.000 0.999 148 K CA 0.372 56.645 56.287 -0.023 0.000 0.980 148 K CB 0.242 32.738 32.500 -0.007 0.000 0.919 148 K HN 0.582 nan 8.250 nan 0.000 0.484 149 E N 2.337 122.513 120.200 -0.041 0.000 2.390 149 E HA 0.548 4.918 4.350 0.032 0.000 0.249 149 E C -0.819 175.742 176.600 -0.066 0.000 0.981 149 E CA -1.086 55.282 56.400 -0.053 0.000 0.860 149 E CB 1.433 31.095 29.700 -0.063 0.000 1.278 149 E HN 0.547 nan 8.360 nan 0.000 0.416 150 K N -0.145 120.188 120.400 -0.111 0.000 2.675 150 K HA 0.464 4.803 4.320 0.032 0.000 0.280 150 K C -1.636 174.741 176.600 -0.372 0.000 0.993 150 K CA -0.703 55.449 56.287 -0.225 0.000 0.863 150 K CB 0.618 32.990 32.500 -0.215 0.000 1.438 150 K HN 0.258 nan 8.250 nan 0.000 0.389 151 I N 1.841 122.140 120.570 -0.452 0.000 2.474 151 I HA 0.441 4.630 4.170 0.032 0.000 0.294 151 I C -1.228 174.564 176.117 -0.542 0.000 1.005 151 I CA -0.388 60.691 61.300 -0.368 0.000 1.113 151 I CB 1.221 39.146 38.000 -0.125 0.000 1.289 151 I HN 0.514 nan 8.210 nan 0.000 0.436 152 Y N 2.865 123.225 120.300 0.100 0.000 2.602 152 Y HA 0.734 5.303 4.550 0.031 0.000 0.342 152 Y C 0.150 176.195 175.900 0.242 0.000 1.029 152 Y CA -0.883 57.297 58.100 0.134 0.000 1.080 152 Y CB 2.210 40.668 38.460 -0.003 0.000 1.284 152 Y HN 0.491 nan 8.280 nan 0.000 0.485 153 S N 0.873 116.863 115.700 0.483 0.000 2.549 153 S HA 0.966 5.455 4.470 0.032 0.000 0.280 153 S C -1.288 173.582 174.600 0.451 0.000 1.109 153 S CA -0.468 58.064 58.200 0.554 0.000 0.905 153 S CB 1.917 65.469 63.200 0.586 0.000 1.081 153 S HN 1.175 nan 8.310 nan 0.000 0.477 154 A N 1.400 124.414 122.820 0.324 0.000 2.574 154 A HA 0.660 4.999 4.320 0.032 0.000 0.297 154 A C 0.241 177.645 177.584 -0.299 0.000 1.062 154 A CA -0.412 51.594 52.037 -0.052 0.000 0.686 154 A CB 1.290 20.075 19.000 -0.358 0.000 1.285 154 A HN 1.022 nan 8.150 nan 0.000 0.403 155 E N 0.639 120.542 120.200 -0.494 0.000 2.333 155 E HA -0.098 4.271 4.350 0.032 0.000 0.198 155 E C 0.446 177.154 176.600 0.180 0.000 1.007 155 E CA 1.155 57.287 56.400 -0.447 0.000 0.845 155 E CB 0.022 29.645 29.700 -0.128 0.000 0.766 155 E HN 0.558 nan 8.360 nan 0.000 0.507 156 R N -1.162 119.519 120.500 0.301 0.000 2.663 156 R HA 0.375 4.734 4.340 0.032 0.000 0.267 156 R C -1.415 175.152 176.300 0.446 0.000 1.038 156 R CA -0.767 55.646 56.100 0.523 0.000 0.886 156 R CB 0.515 31.040 30.300 0.374 0.000 1.249 156 R HN -0.151 nan 8.270 nan 0.000 0.463 157 F N 0.776 120.891 119.950 0.276 0.000 2.593 157 F HA 0.602 5.148 4.527 0.031 0.000 0.320 157 F C -0.607 175.326 175.800 0.221 0.000 1.060 157 F CA -1.253 56.874 58.000 0.213 0.000 0.940 157 F CB 2.055 41.201 39.000 0.243 0.000 1.268 157 F HN 0.349 nan 8.300 nan 0.000 0.475 158 L N 3.996 125.426 121.223 0.345 0.000 2.406 158 L HA 0.587 4.947 4.340 0.032 0.000 0.272 158 L C -1.135 175.867 176.870 0.221 0.000 0.980 158 L CA -0.841 54.152 54.840 0.255 0.000 0.831 158 L CB 1.102 43.249 42.059 0.147 0.000 1.253 158 L HN 0.424 nan 8.230 nan 0.000 0.406 159 I N 5.226 125.926 120.570 0.217 0.000 2.325 159 I HA 0.554 4.743 4.170 0.032 0.000 0.291 159 I C 0.355 176.545 176.117 0.122 0.000 1.019 159 I CA -0.374 61.032 61.300 0.177 0.000 1.302 159 I CB 1.324 39.429 38.000 0.175 0.000 1.401 159 I HN 0.836 nan 8.210 nan 0.000 0.485 160 A N 3.859 126.734 122.820 0.091 0.000 3.410 160 A HA 0.350 4.689 4.320 0.032 0.000 0.276 160 A C 0.719 178.331 177.584 0.047 0.000 0.995 160 A CA -0.415 51.660 52.037 0.064 0.000 0.934 160 A CB -0.166 18.861 19.000 0.046 0.000 1.191 160 A HN 0.763 nan 8.150 nan 0.000 0.511 161 T N -2.459 112.130 114.554 0.057 0.000 3.051 161 T HA 0.450 4.820 4.350 0.032 0.000 0.255 161 T C 1.326 176.058 174.700 0.052 0.000 1.085 161 T CA 0.776 62.903 62.100 0.046 0.000 1.109 161 T CB -0.267 68.635 68.868 0.056 0.000 0.921 161 T HN 2.056 nan 8.240 nan 0.000 0.488 162 G N 1.880 110.715 108.800 0.059 0.000 2.914 162 G HA2 -0.204 3.775 3.960 0.032 0.000 0.254 162 G HA3 -0.204 3.775 3.960 0.032 0.000 0.254 162 G C -0.266 174.677 174.900 0.072 0.000 1.449 162 G CA -0.033 45.105 45.100 0.063 0.000 0.925 162 G HN 0.633 nan 8.290 nan 0.000 0.555 163 E N -0.194 120.051 120.200 0.075 0.000 4.126 163 E HA 0.761 5.130 4.350 0.032 0.000 0.314 163 E C 0.525 177.186 176.600 0.102 0.000 1.438 163 E CA -0.599 55.850 56.400 0.081 0.000 1.682 163 E CB 0.442 30.184 29.700 0.071 0.000 1.454 163 E HN 0.468 nan 8.360 nan 0.000 0.810 164 R N -0.086 120.476 120.500 0.104 0.000 2.739 164 R HA 0.245 4.604 4.340 0.032 0.000 0.266 164 R C -2.906 173.462 176.300 0.113 0.000 1.044 164 R CA -2.065 54.114 56.100 0.132 0.000 0.885 164 R CB 0.814 31.206 30.300 0.154 0.000 1.260 164 R HN 0.341 nan 8.270 nan 0.000 0.477 165 P HA 0.056 nan 4.420 nan 0.000 0.262 165 P C -0.278 177.083 177.300 0.102 0.000 1.182 165 P CA 0.029 63.167 63.100 0.063 0.000 0.761 165 P CB 0.505 32.225 31.700 0.034 0.000 0.795 166 R N 3.182 123.713 120.500 0.050 0.000 2.500 166 R HA 0.359 4.718 4.340 0.032 0.000 0.277 166 R C -0.902 175.437 176.300 0.065 0.000 1.026 166 R CA -0.389 55.773 56.100 0.103 0.000 1.058 166 R CB 0.383 30.718 30.300 0.059 0.000 1.078 166 R HN 0.335 nan 8.270 nan 0.000 0.509 167 Y N 1.595 121.907 120.300 0.021 0.000 2.602 167 Y HA 0.230 4.798 4.550 0.030 0.000 0.330 167 Y C 1.212 177.124 175.900 0.020 0.000 1.114 167 Y CA -0.668 57.444 58.100 0.020 0.000 1.182 167 Y CB 1.546 40.019 38.460 0.022 0.000 1.305 167 Y HN 0.483 nan 8.280 nan 0.000 0.502 168 L N 0.932 122.268 121.223 0.189 0.000 2.023 168 L HA 0.081 4.440 4.340 0.032 0.000 0.205 168 L C 1.089 178.024 176.870 0.109 0.000 1.073 168 L CA 1.479 56.387 54.840 0.114 0.000 0.745 168 L CB -0.420 41.690 42.059 0.086 0.000 0.900 168 L HN 1.026 nan 8.230 nan 0.000 0.435 169 G N 0.632 109.505 108.800 0.122 0.000 2.237 169 G HA2 -0.135 3.844 3.960 0.032 0.000 0.153 169 G HA3 -0.135 3.844 3.960 0.032 0.000 0.153 169 G C -0.175 174.767 174.900 0.071 0.000 1.039 169 G CA 0.017 45.165 45.100 0.080 0.000 0.719 169 G HN 0.355 nan 8.290 nan 0.000 0.491 170 I N -2.734 117.890 120.570 0.089 0.000 2.934 170 I HA 0.809 4.998 4.170 0.032 0.000 0.306 170 I C -2.366 173.807 176.117 0.095 0.000 1.110 170 I CA -3.325 58.024 61.300 0.082 0.000 1.019 170 I CB 2.344 40.394 38.000 0.084 0.000 1.227 170 I HN -0.115 nan 8.210 nan 0.000 0.434 171 P HA 0.125 nan 4.420 nan 0.000 0.263 171 P C 0.707 178.103 177.300 0.159 0.000 1.195 171 P CA 1.092 64.255 63.100 0.106 0.000 0.762 171 P CB 0.787 32.538 31.700 0.084 0.000 0.799 172 G N 3.601 112.537 108.800 0.226 0.000 2.232 172 G HA2 -0.254 3.726 3.960 0.032 0.000 0.226 172 G HA3 -0.254 3.726 3.960 0.032 0.000 0.226 172 G C 0.688 175.791 174.900 0.339 0.000 0.996 172 G CA 0.537 45.891 45.100 0.424 0.000 0.626 172 G HN 0.553 nan 8.290 nan 0.000 0.509 173 D N 1.256 121.791 120.400 0.224 0.000 2.074 173 D HA -0.036 4.623 4.640 0.032 0.000 0.221 173 D C 1.985 178.441 176.300 0.260 0.000 0.972 173 D CA 1.475 55.637 54.000 0.270 0.000 0.901 173 D CB -0.899 40.109 40.800 0.348 0.000 1.047 173 D HN 0.392 nan 8.370 nan 0.000 0.453 174 K N 0.467 120.940 120.400 0.122 0.000 2.304 174 K HA -0.190 4.150 4.320 0.032 0.000 0.204 174 K C 1.980 178.512 176.600 -0.113 0.000 1.044 174 K CA 1.792 57.984 56.287 -0.159 0.000 0.932 174 K CB -0.128 32.105 32.500 -0.444 0.000 0.735 174 K HN 0.560 nan 8.250 nan 0.000 0.468 175 E N -0.926 119.160 120.200 -0.191 0.000 2.276 175 E HA -0.097 4.272 4.350 0.032 0.000 0.193 175 E C 0.904 177.045 176.600 -0.765 0.000 0.983 175 E CA 0.894 56.987 56.400 -0.512 0.000 0.861 175 E CB 0.091 29.365 29.700 -0.710 0.000 0.817 175 E HN 0.454 nan 8.360 nan 0.000 0.485 176 Y N 0.411 120.768 120.300 0.095 0.000 2.423 176 Y HA 0.281 4.852 4.550 0.035 0.000 0.257 176 Y C 1.022 176.981 175.900 0.098 0.000 1.087 176 Y CA -0.902 57.251 58.100 0.088 0.000 1.258 176 Y CB 0.492 38.994 38.460 0.069 0.000 1.237 176 Y HN -0.030 nan 8.280 nan 0.000 0.517 177 C N 2.145 121.570 119.300 0.207 0.000 2.398 177 C HA 0.688 5.168 4.460 0.032 0.000 0.364 177 C C 0.465 175.527 174.990 0.120 0.000 1.219 177 C CA -1.076 58.031 59.018 0.148 0.000 2.312 177 C CB -0.090 27.722 27.740 0.120 0.000 2.428 177 C HN 0.333 nan 8.230 nan 0.000 0.564 178 I N 0.838 121.435 120.570 0.046 0.000 2.863 178 I HA 0.862 5.051 4.170 0.032 0.000 0.311 178 I C 0.131 176.201 176.117 -0.078 0.000 1.026 178 I CA -0.113 61.200 61.300 0.021 0.000 1.077 178 I CB 1.631 39.644 38.000 0.023 0.000 1.262 178 I HN 0.678 nan 8.210 nan 0.000 0.461 179 S N 1.261 116.919 115.700 -0.069 0.000 2.751 179 S HA 0.434 4.923 4.470 0.032 0.000 0.310 179 S C 0.983 175.512 174.600 -0.119 0.000 1.128 179 S CA 0.006 58.134 58.200 -0.121 0.000 0.931 179 S CB 0.929 64.065 63.200 -0.105 0.000 1.177 179 S HN 1.092 nan 8.310 nan 0.000 0.530 180 S N 0.448 116.075 115.700 -0.122 0.000 2.387 180 S HA -0.220 4.269 4.470 0.032 0.000 0.230 180 S C 1.056 175.556 174.600 -0.166 0.000 1.035 180 S CA 1.980 60.072 58.200 -0.181 0.000 1.014 180 S CB -1.152 62.052 63.200 0.006 0.000 0.836 180 S HN 0.709 nan 8.310 nan 0.000 0.466 181 D N 1.734 122.139 120.400 0.008 0.000 2.144 181 D HA -0.053 4.606 4.640 0.032 0.000 0.199 181 D C 1.667 178.044 176.300 0.128 0.000 0.984 181 D CA 1.389 55.458 54.000 0.115 0.000 0.834 181 D CB -0.471 40.556 40.800 0.379 0.000 0.955 181 D HN 0.537 nan 8.370 nan 0.000 0.465 182 D N -0.178 120.260 120.400 0.063 0.000 2.194 182 D HA -0.067 4.592 4.640 0.032 0.000 0.204 182 D C 2.183 178.464 176.300 -0.031 0.000 0.964 182 D CA 0.043 54.077 54.000 0.057 0.000 0.846 182 D CB -0.006 40.825 40.800 0.053 0.000 0.962 182 D HN 0.111 nan 8.370 nan 0.000 0.490 183 L N 0.799 121.905 121.223 -0.196 0.000 1.970 183 L HA -0.180 4.180 4.340 0.032 0.000 0.212 183 L C 1.525 178.304 176.870 -0.151 0.000 1.071 183 L CA 1.600 56.293 54.840 -0.246 0.000 0.751 183 L CB -0.951 40.802 42.059 -0.510 0.000 0.889 183 L HN -0.118 nan 8.230 nan 0.000 0.432 184 F N -0.164 119.834 119.950 0.080 0.000 2.717 184 F HA -0.034 4.511 4.527 0.031 0.000 0.296 184 F C 1.748 177.522 175.800 -0.042 0.000 1.268 184 F CA 0.764 58.758 58.000 -0.012 0.000 1.466 184 F CB -1.392 37.566 39.000 -0.069 0.000 1.120 184 F HN 0.354 nan 8.300 nan 0.000 0.596 185 S N -2.889 112.878 115.700 0.112 0.000 2.760 185 S HA 0.173 4.663 4.470 0.032 0.000 0.263 185 S C 0.063 174.707 174.600 0.074 0.000 1.007 185 S CA -0.555 57.692 58.200 0.079 0.000 1.358 185 S CB -0.390 62.880 63.200 0.116 0.000 1.228 185 S HN 0.023 nan 8.310 nan 0.000 0.684 186 L N 4.951 126.240 121.223 0.110 0.000 2.720 186 L HA 0.169 4.529 4.340 0.032 0.000 0.289 186 L C -2.071 174.858 176.870 0.099 0.000 1.232 186 L CA -0.303 54.557 54.840 0.034 0.000 0.915 186 L CB 0.088 42.244 42.059 0.161 0.000 1.184 186 L HN 0.119 nan 8.230 nan 0.000 0.491 187 P HA 0.155 nan 4.420 nan 0.000 0.231 187 P C -1.749 175.679 177.300 0.214 0.000 1.833 187 P CA -0.080 63.072 63.100 0.087 0.000 1.023 187 P CB -0.252 31.479 31.700 0.052 0.000 1.643 188 Y N -3.020 117.484 120.300 0.341 0.000 2.357 188 Y HA 0.207 4.775 4.550 0.030 0.000 0.319 188 Y C -0.411 175.197 175.900 -0.486 0.000 1.225 188 Y CA -2.761 55.368 58.100 0.049 0.000 1.095 188 Y CB -0.542 37.933 38.460 0.025 0.000 1.302 188 Y HN -0.014 nan 8.280 nan 0.000 0.429 189 C N 6.867 125.899 119.300 -0.446 0.000 2.041 189 C HA 0.041 4.520 4.460 0.032 0.000 0.416 189 C C -0.969 173.720 174.990 -0.501 0.000 1.521 189 C CA -0.197 58.358 59.018 -0.772 0.000 1.444 189 C CB -0.670 26.915 27.740 -0.259 0.000 2.659 189 C HN 0.781 nan 8.230 nan 0.000 0.615 190 P HA 0.086 nan 4.420 nan 0.000 0.224 190 P C 1.235 178.418 177.300 -0.195 0.000 1.142 190 P CA 2.213 65.149 63.100 -0.273 0.000 0.778 190 P CB -0.300 31.207 31.700 -0.321 0.000 0.764 191 G N -0.124 108.548 108.800 -0.214 0.000 2.633 191 G HA2 -0.339 3.641 3.960 0.032 0.000 0.263 191 G HA3 -0.339 3.641 3.960 0.032 0.000 0.263 191 G C -0.291 174.560 174.900 -0.081 0.000 1.310 191 G CA -0.226 44.797 45.100 -0.128 0.000 0.914 191 G HN 0.460 nan 8.290 nan 0.000 0.569 192 K N 0.603 120.984 120.400 -0.031 0.000 2.440 192 K HA 0.278 4.617 4.320 0.032 0.000 0.275 192 K C 0.165 176.780 176.600 0.026 0.000 1.082 192 K CA 1.203 57.506 56.287 0.027 0.000 1.135 192 K CB -0.397 32.157 32.500 0.090 0.000 0.864 192 K HN 0.564 nan 8.250 nan 0.000 0.479 193 T N 4.269 118.791 114.554 -0.054 0.000 2.950 193 T HA 0.512 4.882 4.350 0.032 0.000 0.288 193 T C -1.101 173.399 174.700 -0.333 0.000 1.035 193 T CA -0.799 61.215 62.100 -0.144 0.000 1.028 193 T CB 1.199 69.977 68.868 -0.151 0.000 1.109 193 T HN 0.548 nan 8.240 nan 0.000 0.514 194 L N 1.779 122.745 121.223 -0.428 0.000 2.438 194 L HA 0.731 5.090 4.340 0.032 0.000 0.270 194 L C -1.490 175.168 176.870 -0.353 0.000 0.972 194 L CA -0.594 53.881 54.840 -0.609 0.000 0.831 194 L CB 1.783 43.263 42.059 -0.964 0.000 1.273 194 L HN 0.439 nan 8.230 nan 0.000 0.405 195 V N 5.929 125.657 119.914 -0.311 0.000 2.313 195 V HA 0.337 4.476 4.120 0.032 0.000 0.278 195 V C -0.372 175.601 176.094 -0.200 0.000 1.017 195 V CA -0.632 61.527 62.300 -0.236 0.000 0.823 195 V CB 1.864 33.548 31.823 -0.232 0.000 1.010 195 V HN 0.564 nan 8.190 nan 0.000 0.443 196 V N 3.557 123.376 119.914 -0.157 0.000 2.415 196 V HA 0.920 5.059 4.120 0.032 0.000 0.267 196 V C 0.711 176.750 176.094 -0.091 0.000 1.042 196 V CA 0.403 62.638 62.300 -0.108 0.000 1.000 196 V CB -0.087 31.689 31.823 -0.078 0.000 1.015 196 V HN 1.187 nan 8.190 nan 0.000 0.478 197 G N 2.929 111.689 108.800 -0.067 0.000 2.339 197 G HA2 0.565 4.544 3.960 0.032 0.000 0.381 197 G HA3 0.565 4.544 3.960 0.032 0.000 0.381 197 G C -0.542 174.345 174.900 -0.022 0.000 1.400 197 G CA -0.130 44.944 45.100 -0.044 0.000 1.002 197 G HN 1.709 nan 8.290 nan 0.000 0.633 198 A N -0.026 122.803 122.820 0.015 0.000 2.992 198 A HA 0.790 5.130 4.320 0.032 0.000 0.263 198 A C 0.568 178.203 177.584 0.085 0.000 0.928 198 A CA 1.016 53.092 52.037 0.065 0.000 1.061 198 A CB -0.243 18.819 19.000 0.103 0.000 1.173 198 A HN 2.261 nan 8.150 nan 0.000 0.482 199 S N -0.767 114.956 115.700 0.039 0.000 2.722 199 S HA 0.540 5.030 4.470 0.032 0.000 0.292 199 S C 1.179 175.842 174.600 0.105 0.000 1.135 199 S CA 0.010 58.234 58.200 0.040 0.000 1.003 199 S CB 0.498 63.624 63.200 -0.123 0.000 1.067 199 S HN 1.077 nan 8.310 nan 0.000 0.546 200 Y N 0.890 121.306 120.300 0.194 0.000 2.053 200 Y HA -0.117 4.452 4.550 0.032 0.000 0.277 200 Y C 2.013 177.986 175.900 0.122 0.000 1.159 200 Y CA 1.631 59.834 58.100 0.172 0.000 1.125 200 Y CB -1.770 36.819 38.460 0.214 0.000 0.969 200 Y HN 0.300 nan 8.280 nan 0.000 0.492 201 V N 1.530 121.282 119.914 -0.271 0.000 2.311 201 V HA -0.437 3.702 4.120 0.032 0.000 0.256 201 V C 2.897 178.989 176.094 -0.003 0.000 1.077 201 V CA 2.340 64.588 62.300 -0.087 0.000 1.067 201 V CB -1.814 29.859 31.823 -0.251 0.000 0.659 201 V HN 0.759 nan 8.190 nan 0.000 0.451 202 A N -0.137 122.651 122.820 -0.053 0.000 1.828 202 A HA -0.178 4.161 4.320 0.032 0.000 0.215 202 A C 2.179 179.730 177.584 -0.055 0.000 1.203 202 A CA 2.197 54.194 52.037 -0.066 0.000 0.614 202 A CB -0.689 18.275 19.000 -0.061 0.000 0.844 202 A HN 0.495 nan 8.150 nan 0.000 0.445 203 L N -0.675 120.556 121.223 0.014 0.000 2.012 203 L HA -0.256 4.103 4.340 0.032 0.000 0.210 203 L C 2.637 179.528 176.870 0.035 0.000 1.073 203 L CA 1.920 56.782 54.840 0.036 0.000 0.748 203 L CB -0.883 41.250 42.059 0.123 0.000 0.891 203 L HN 0.487 nan 8.230 nan 0.000 0.431 204 E N -0.369 119.894 120.200 0.105 0.000 2.049 204 E HA -0.266 4.103 4.350 0.032 0.000 0.198 204 E C 2.329 178.949 176.600 0.033 0.000 1.007 204 E CA 1.945 58.438 56.400 0.156 0.000 0.809 204 E CB -0.285 29.593 29.700 0.297 0.000 0.749 204 E HN 0.562 nan 8.360 nan 0.000 0.450 205 C N 0.554 119.773 119.300 -0.135 0.000 2.462 205 C HA -0.080 4.399 4.460 0.032 0.000 0.278 205 C C 2.943 177.447 174.990 -0.811 0.000 1.253 205 C CA 0.719 59.262 59.018 -0.791 0.000 1.713 205 C CB -1.062 26.459 27.740 -0.364 0.000 2.049 205 C HN 0.541 nan 8.230 nan 0.000 0.477 206 A N 0.941 123.533 122.820 -0.379 0.000 1.948 206 A HA -0.028 4.311 4.320 0.032 0.000 0.220 206 A C 2.324 179.781 177.584 -0.211 0.000 1.177 206 A CA 2.320 54.187 52.037 -0.283 0.000 0.636 206 A CB -1.300 17.562 19.000 -0.229 0.000 0.815 206 A HN 0.584 nan 8.150 nan 0.000 0.449 207 G N 0.087 108.804 108.800 -0.138 0.000 2.511 207 G HA2 -0.206 3.773 3.960 0.032 0.000 0.216 207 G HA3 -0.206 3.773 3.960 0.032 0.000 0.216 207 G C 1.405 176.356 174.900 0.086 0.000 1.218 207 G CA 1.379 46.495 45.100 0.026 0.000 0.788 207 G HN 0.818 nan 8.290 nan 0.000 0.560 208 F N 0.500 120.537 119.950 0.145 0.000 2.234 208 F HA 0.211 4.756 4.527 0.030 0.000 0.299 208 F C 2.311 178.194 175.800 0.139 0.000 1.087 208 F CA 0.448 58.551 58.000 0.171 0.000 1.340 208 F CB -0.719 38.400 39.000 0.199 0.000 1.031 208 F HN 0.049 nan 8.300 nan 0.000 0.500 209 L N 0.942 122.075 121.223 -0.149 0.000 2.012 209 L HA -0.218 4.141 4.340 0.032 0.000 0.210 209 L C 2.992 179.889 176.870 0.045 0.000 1.073 209 L CA 1.412 56.255 54.840 0.004 0.000 0.748 209 L CB -1.047 40.909 42.059 -0.171 0.000 0.891 209 L HN 0.385 nan 8.230 nan 0.000 0.431 210 A N -0.009 122.818 122.820 0.011 0.000 1.972 210 A HA -0.132 4.208 4.320 0.032 0.000 0.219 210 A C 2.308 179.955 177.584 0.106 0.000 1.169 210 A CA 1.615 53.681 52.037 0.048 0.000 0.635 210 A CB -1.120 17.909 19.000 0.047 0.000 0.810 210 A HN 0.477 nan 8.150 nan 0.000 0.446 211 G N 0.328 109.225 108.800 0.161 0.000 2.509 211 G HA2 -0.012 3.968 3.960 0.032 0.000 0.218 211 G HA3 -0.012 3.968 3.960 0.032 0.000 0.218 211 G C 1.218 176.218 174.900 0.166 0.000 1.124 211 G CA 1.022 46.237 45.100 0.190 0.000 0.776 211 G HN 0.822 nan 8.290 nan 0.000 0.547 212 I N -3.771 116.885 120.570 0.143 0.000 3.976 212 I HA 0.530 4.719 4.170 0.032 0.000 0.337 212 I C 1.364 177.529 176.117 0.080 0.000 1.359 212 I CA 0.338 61.689 61.300 0.085 0.000 1.098 212 I CB 0.362 38.322 38.000 -0.066 0.000 1.027 212 I HN 0.130 nan 8.210 nan 0.000 0.394 213 G N 1.714 110.562 108.800 0.080 0.000 2.278 213 G HA2 -0.166 3.813 3.960 0.032 0.000 0.210 213 G HA3 -0.166 3.813 3.960 0.032 0.000 0.210 213 G C 0.136 175.058 174.900 0.036 0.000 1.000 213 G CA -0.372 44.765 45.100 0.061 0.000 0.635 213 G HN 0.252 nan 8.290 nan 0.000 0.495 214 L N 2.050 123.286 121.223 0.022 0.000 2.490 214 L HA 0.199 4.558 4.340 0.032 0.000 0.274 214 L C 0.486 177.348 176.870 -0.012 0.000 1.201 214 L CA -0.162 54.671 54.840 -0.012 0.000 0.869 214 L CB 0.468 42.500 42.059 -0.044 0.000 1.123 214 L HN 0.235 nan 8.230 nan 0.000 0.484 215 D N 3.477 123.870 120.400 -0.013 0.000 2.349 215 D HA 0.116 4.775 4.640 0.032 0.000 0.266 215 D C -0.725 175.559 176.300 -0.026 0.000 1.293 215 D CA -0.030 53.969 54.000 -0.002 0.000 0.926 215 D CB 0.689 41.499 40.800 0.016 0.000 1.090 215 D HN 0.047 nan 8.370 nan 0.000 0.502 216 V N 3.791 123.680 119.914 -0.042 0.000 2.513 216 V HA 0.449 4.589 4.120 0.032 0.000 0.299 216 V C 0.543 176.558 176.094 -0.131 0.000 1.035 216 V CA -0.580 61.657 62.300 -0.105 0.000 0.889 216 V CB 2.109 33.863 31.823 -0.114 0.000 0.988 216 V HN 0.522 nan 8.190 nan 0.000 0.440 217 T N 3.321 117.741 114.554 -0.224 0.000 2.893 217 T HA 0.651 5.020 4.350 0.032 0.000 0.293 217 T C -0.846 173.643 174.700 -0.351 0.000 1.027 217 T CA -0.424 61.527 62.100 -0.249 0.000 0.988 217 T CB 1.964 70.718 68.868 -0.190 0.000 1.043 217 T HN 0.367 nan 8.240 nan 0.000 0.461 218 V N 3.446 123.115 119.914 -0.409 0.000 2.540 218 V HA 0.552 4.692 4.120 0.032 0.000 0.302 218 V C -0.358 175.585 176.094 -0.252 0.000 1.035 218 V CA -0.801 61.240 62.300 -0.432 0.000 0.873 218 V CB 1.793 33.160 31.823 -0.760 0.000 0.992 218 V HN 0.862 nan 8.190 nan 0.000 0.428 219 M N 5.136 124.642 119.600 -0.156 0.000 2.268 219 M HA 0.694 5.193 4.480 0.032 0.000 0.344 219 M C -1.440 174.867 176.300 0.012 0.000 1.106 219 M CA -0.485 54.791 55.300 -0.040 0.000 1.010 219 M CB 1.609 34.191 32.600 -0.030 0.000 1.649 219 M HN 0.508 nan 8.290 nan 0.000 0.443 220 V N 5.092 125.059 119.914 0.089 0.000 2.540 220 V HA 0.421 4.560 4.120 0.032 0.000 0.302 220 V C 0.576 176.736 176.094 0.111 0.000 1.035 220 V CA -0.768 61.593 62.300 0.102 0.000 0.873 220 V CB 1.575 33.486 31.823 0.146 0.000 0.992 220 V HN 0.982 nan 8.190 nan 0.000 0.428 221 R N 2.447 122.995 120.500 0.079 0.000 2.070 221 R HA -0.084 4.276 4.340 0.032 0.000 0.227 221 R C 1.816 178.155 176.300 0.064 0.000 1.147 221 R CA 2.253 58.392 56.100 0.066 0.000 0.924 221 R CB 0.017 30.342 30.300 0.042 0.000 0.827 221 R HN 0.949 nan 8.270 nan 0.000 0.431 222 S N -0.346 115.390 115.700 0.060 0.000 3.375 222 S HA 0.254 4.744 4.470 0.032 0.000 0.178 222 S C 0.885 175.528 174.600 0.072 0.000 0.868 222 S CA -0.271 57.963 58.200 0.057 0.000 1.129 222 S CB -0.569 62.654 63.200 0.039 0.000 1.035 222 S HN 0.345 nan 8.310 nan 0.000 0.840 223 I N 0.089 120.700 120.570 0.068 0.000 2.934 223 I HA 0.645 4.834 4.170 0.032 0.000 0.315 223 I C -1.258 174.923 176.117 0.106 0.000 0.997 223 I CA -1.196 60.152 61.300 0.080 0.000 1.184 223 I CB 0.337 38.379 38.000 0.070 0.000 1.400 223 I HN 0.239 nan 8.210 nan 0.000 0.549 224 L N 3.710 125.010 121.223 0.129 0.000 2.307 224 L HA 0.430 4.789 4.340 0.032 0.000 0.282 224 L C 0.044 177.036 176.870 0.203 0.000 1.051 224 L CA -0.374 54.567 54.840 0.169 0.000 0.804 224 L CB 1.106 43.277 42.059 0.187 0.000 1.197 224 L HN 0.625 nan 8.230 nan 0.000 0.431 225 L N 2.019 123.387 121.223 0.243 0.000 3.677 225 L HA -0.246 4.114 4.340 0.032 0.000 0.464 225 L C 0.736 177.735 176.870 0.216 0.000 1.278 225 L CA 0.174 55.232 54.840 0.363 0.000 0.806 225 L CB -1.287 41.147 42.059 0.626 0.000 1.610 225 L HN 0.696 nan 8.230 nan 0.000 0.867 226 R N 1.002 121.560 120.500 0.097 0.000 2.538 226 R HA 0.280 4.639 4.340 0.032 0.000 0.282 226 R C 1.443 177.699 176.300 -0.072 0.000 1.009 226 R CA 1.368 57.487 56.100 0.031 0.000 1.063 226 R CB 0.363 30.673 30.300 0.017 0.000 0.945 226 R HN 0.520 nan 8.270 nan 0.000 0.414 227 G N 3.220 111.978 108.800 -0.070 0.000 2.313 227 G HA2 -0.260 3.720 3.960 0.032 0.000 0.215 227 G HA3 -0.260 3.720 3.960 0.032 0.000 0.215 227 G C -0.253 174.543 174.900 -0.174 0.000 1.023 227 G CA -0.166 44.826 45.100 -0.180 0.000 0.626 227 G HN 0.481 nan 8.290 nan 0.000 0.503 228 F N 2.125 122.149 119.950 0.123 0.000 2.368 228 F HA 0.533 5.079 4.527 0.031 0.000 0.315 228 F C 0.824 176.738 175.800 0.189 0.000 1.145 228 F CA -1.299 56.802 58.000 0.169 0.000 1.095 228 F CB 0.452 39.568 39.000 0.194 0.000 1.286 228 F HN 0.015 nan 8.300 nan 0.000 0.530 229 D N 1.718 122.430 120.400 0.520 0.000 2.479 229 D HA -0.095 4.564 4.640 0.032 0.000 0.257 229 D C 0.896 177.332 176.300 0.227 0.000 1.230 229 D CA 0.207 54.392 54.000 0.309 0.000 0.912 229 D CB 0.838 41.806 40.800 0.280 0.000 1.130 229 D HN 0.383 nan 8.370 nan 0.000 0.515 230 Q N 2.851 122.735 119.800 0.140 0.000 2.226 230 Q HA -0.148 4.211 4.340 0.032 0.000 0.204 230 Q C 1.171 177.202 176.000 0.052 0.000 0.975 230 Q CA 0.916 56.782 55.803 0.106 0.000 0.866 230 Q CB -0.020 28.759 28.738 0.068 0.000 0.915 230 Q HN 0.614 nan 8.270 nan 0.000 0.440 231 D N -0.436 119.968 120.400 0.007 0.000 2.097 231 D HA -0.098 4.561 4.640 0.032 0.000 0.197 231 D C 1.769 178.024 176.300 -0.075 0.000 0.984 231 D CA 0.893 54.861 54.000 -0.053 0.000 0.826 231 D CB 0.148 40.895 40.800 -0.088 0.000 0.973 231 D HN 0.069 nan 8.370 nan 0.000 0.460 232 M N 0.467 120.029 119.600 -0.064 0.000 2.108 232 M HA -0.108 4.391 4.480 0.032 0.000 0.261 232 M C 2.363 178.633 176.300 -0.050 0.000 1.066 232 M CA 1.214 56.421 55.300 -0.155 0.000 1.107 232 M CB -1.237 31.177 32.600 -0.311 0.000 1.356 232 M HN 0.061 nan 8.290 nan 0.000 0.406 233 A N 1.132 124.013 122.820 0.101 0.000 1.851 233 A HA -0.266 4.073 4.320 0.032 0.000 0.216 233 A C 1.968 179.591 177.584 0.065 0.000 1.195 233 A CA 2.463 54.589 52.037 0.148 0.000 0.622 233 A CB -1.324 17.799 19.000 0.206 0.000 0.831 233 A HN 0.592 nan 8.150 nan 0.000 0.444 234 N N -0.061 118.652 118.700 0.023 0.000 2.060 234 N HA -0.244 4.515 4.740 0.032 0.000 0.195 234 N C 1.549 177.031 175.510 -0.046 0.000 1.028 234 N CA 2.481 55.519 53.050 -0.020 0.000 0.861 234 N CB -0.354 38.109 38.487 -0.039 0.000 1.029 234 N HN 0.589 nan 8.380 nan 0.000 0.428 235 K N -0.267 120.087 120.400 -0.076 0.000 2.097 235 K HA -0.065 4.274 4.320 0.032 0.000 0.206 235 K C 2.083 178.666 176.600 -0.029 0.000 1.049 235 K CA 1.341 57.570 56.287 -0.096 0.000 0.933 235 K CB -0.149 32.230 32.500 -0.201 0.000 0.717 235 K HN 0.345 nan 8.250 nan 0.000 0.442 236 I N 0.531 121.096 120.570 -0.009 0.000 2.202 236 I HA -0.185 4.004 4.170 0.032 0.000 0.242 236 I C 2.517 178.692 176.117 0.096 0.000 1.091 236 I CA 1.359 62.683 61.300 0.040 0.000 1.368 236 I CB -0.738 37.313 38.000 0.085 0.000 1.058 236 I HN 0.286 nan 8.210 nan 0.000 0.410 237 G N 0.563 109.395 108.800 0.054 0.000 2.453 237 G HA2 -0.214 3.765 3.960 0.032 0.000 0.215 237 G HA3 -0.214 3.765 3.960 0.032 0.000 0.215 237 G C 1.424 176.251 174.900 -0.122 0.000 1.201 237 G CA 0.428 45.507 45.100 -0.036 0.000 0.784 237 G HN 0.383 nan 8.290 nan 0.000 0.545 238 E N -0.144 119.993 120.200 -0.105 0.000 2.233 238 E HA -0.244 4.126 4.350 0.032 0.000 0.199 238 E C 2.103 178.697 176.600 -0.011 0.000 1.004 238 E CA 1.105 57.452 56.400 -0.087 0.000 0.819 238 E CB -0.240 29.423 29.700 -0.063 0.000 0.738 238 E HN 0.603 nan 8.360 nan 0.000 0.478 239 H N 0.363 119.402 119.070 -0.053 0.000 2.415 239 H HA 0.087 4.662 4.556 0.032 0.000 0.297 239 H C 2.003 177.333 175.328 0.003 0.000 1.048 239 H CA 0.823 56.849 56.048 -0.037 0.000 1.365 239 H CB 0.079 29.809 29.762 -0.053 0.000 1.421 239 H HN 0.119 nan 8.280 nan 0.000 0.533 240 M N 0.537 120.304 119.600 0.279 0.000 2.099 240 M HA -0.125 4.374 4.480 0.032 0.000 0.262 240 M C 2.220 178.674 176.300 0.255 0.000 1.067 240 M CA 1.656 57.154 55.300 0.330 0.000 1.124 240 M CB -0.141 32.739 32.600 0.468 0.000 1.353 240 M HN 0.289 nan 8.290 nan 0.000 0.410 241 E N 0.164 120.418 120.200 0.090 0.000 2.085 241 E HA -0.253 4.116 4.350 0.032 0.000 0.194 241 E C 1.848 178.486 176.600 0.063 0.000 0.994 241 E CA 1.330 57.749 56.400 0.032 0.000 0.801 241 E CB -0.179 29.399 29.700 -0.203 0.000 0.743 241 E HN 0.515 nan 8.360 nan 0.000 0.453 242 E N -0.156 120.060 120.200 0.027 0.000 2.204 242 E HA -0.119 4.250 4.350 0.032 0.000 0.194 242 E C 0.756 177.446 176.600 0.150 0.000 0.989 242 E CA 0.683 57.113 56.400 0.051 0.000 0.824 242 E CB 0.167 29.872 29.700 0.008 0.000 0.756 242 E HN 0.347 nan 8.360 nan 0.000 0.477 243 H N -1.809 117.207 119.070 -0.090 0.000 2.490 243 H HA 0.237 4.812 4.556 0.032 0.000 0.285 243 H C 0.569 175.913 175.328 0.027 0.000 1.127 243 H CA 0.006 56.023 56.048 -0.050 0.000 0.993 243 H CB 1.067 30.781 29.762 -0.080 0.000 1.653 243 H HN 0.317 nan 8.280 nan 0.000 0.557 244 G N 1.045 109.921 108.800 0.126 0.000 2.981 244 G HA2 -0.233 3.746 3.960 0.032 0.000 0.198 244 G HA3 -0.233 3.746 3.960 0.032 0.000 0.198 244 G C 0.257 175.226 174.900 0.115 0.000 1.806 244 G CA -0.338 44.821 45.100 0.098 0.000 1.374 244 G HN 0.246 nan 8.290 nan 0.000 0.555 245 I N 2.491 123.149 120.570 0.148 0.000 2.996 245 I HA 0.069 4.258 4.170 0.032 0.000 0.311 245 I C 0.552 176.799 176.117 0.217 0.000 1.219 245 I CA 0.960 62.338 61.300 0.129 0.000 1.452 245 I CB 0.240 38.335 38.000 0.157 0.000 1.319 245 I HN 0.208 nan 8.210 nan 0.000 0.564 246 K N 6.619 127.077 120.400 0.098 0.000 2.182 246 K HA 0.619 4.959 4.320 0.032 0.000 0.262 246 K C -1.016 175.685 176.600 0.167 0.000 0.957 246 K CA -0.441 55.955 56.287 0.182 0.000 0.842 246 K CB 1.647 34.194 32.500 0.080 0.000 1.099 246 K HN 0.288 nan 8.250 nan 0.000 0.438 247 F N 1.790 121.740 119.950 -0.000 0.000 2.575 247 F HA 0.570 5.118 4.527 0.034 0.000 0.330 247 F C 0.161 175.956 175.800 -0.009 0.000 1.056 247 F CA -1.261 56.738 58.000 -0.002 0.000 0.964 247 F CB 1.551 40.560 39.000 0.015 0.000 1.258 247 F HN 0.148 nan 8.300 nan 0.000 0.484 248 I N 2.056 122.735 120.570 0.182 0.000 2.503 248 I HA 0.337 4.527 4.170 0.032 0.000 0.282 248 I C -0.717 175.499 176.117 0.165 0.000 1.059 248 I CA -0.580 60.771 61.300 0.086 0.000 1.081 248 I CB 1.797 39.760 38.000 -0.061 0.000 1.210 248 I HN 0.463 nan 8.210 nan 0.000 0.450 249 R N 3.956 124.575 120.500 0.198 0.000 2.457 249 R HA 0.479 4.838 4.340 0.032 0.000 0.284 249 R C -0.587 175.884 176.300 0.285 0.000 1.024 249 R CA -0.352 55.875 56.100 0.211 0.000 1.025 249 R CB 0.647 31.038 30.300 0.151 0.000 1.063 249 R HN 0.459 nan 8.270 nan 0.000 0.493 250 Q N 1.074 120.996 119.800 0.205 0.000 2.448 250 Q HA -0.222 4.138 4.340 0.032 0.000 0.357 250 Q C -1.372 174.716 176.000 0.147 0.000 1.443 250 Q CA 0.930 56.811 55.803 0.131 0.000 0.996 250 Q CB -1.310 27.460 28.738 0.053 0.000 1.180 250 Q HN 0.404 nan 8.270 nan 0.000 0.338 251 F N -0.856 119.113 119.950 0.032 0.000 2.651 251 F HA 0.487 5.033 4.527 0.032 0.000 0.327 251 F C -0.592 175.221 175.800 0.023 0.000 1.133 251 F CA -0.960 57.057 58.000 0.029 0.000 1.076 251 F CB 1.618 40.638 39.000 0.034 0.000 1.315 251 F HN -0.038 nan 8.300 nan 0.000 0.499 252 V N 3.811 123.839 119.914 0.191 0.000 2.680 252 V HA 0.584 4.723 4.120 0.032 0.000 0.309 252 V C -2.451 173.726 176.094 0.139 0.000 1.052 252 V CA -2.387 59.988 62.300 0.125 0.000 0.908 252 V CB 2.137 33.998 31.823 0.064 0.000 1.001 252 V HN 0.423 nan 8.190 nan 0.000 0.431 253 P HA 0.386 nan 4.420 nan 0.000 0.274 253 P C 0.601 177.953 177.300 0.087 0.000 1.237 253 P CA -0.202 62.961 63.100 0.105 0.000 0.793 253 P CB 0.665 32.414 31.700 0.082 0.000 0.977 254 I N -1.050 119.571 120.570 0.084 0.000 4.456 254 I HA 0.370 4.559 4.170 0.032 0.000 0.329 254 I C -0.092 176.065 176.117 0.068 0.000 1.313 254 I CA -0.049 61.292 61.300 0.069 0.000 1.205 254 I CB 0.074 38.110 38.000 0.060 0.000 1.179 254 I HN 0.207 nan 8.210 nan 0.000 0.419 255 K N 0.927 121.370 120.400 0.072 0.000 2.589 255 K HA 0.606 4.945 4.320 0.032 0.000 0.265 255 K C -1.677 174.964 176.600 0.069 0.000 0.935 255 K CA -0.800 55.530 56.287 0.072 0.000 0.850 255 K CB 2.305 34.838 32.500 0.055 0.000 1.372 255 K HN -0.147 nan 8.250 nan 0.000 0.420 256 V N 1.685 121.650 119.914 0.085 0.000 2.407 256 V HA 0.357 4.496 4.120 0.032 0.000 0.291 256 V C -0.679 175.394 176.094 -0.035 0.000 1.018 256 V CA -0.571 61.770 62.300 0.067 0.000 0.842 256 V CB 1.238 33.149 31.823 0.146 0.000 0.996 256 V HN 0.786 nan 8.190 nan 0.000 0.426 257 E N 2.519 122.638 120.200 -0.134 0.000 2.191 257 E HA 0.369 4.738 4.350 0.032 0.000 0.274 257 E C -0.578 175.778 176.600 -0.407 0.000 0.948 257 E CA -0.625 55.605 56.400 -0.284 0.000 0.802 257 E CB 2.097 31.705 29.700 -0.154 0.000 1.137 257 E HN 0.689 nan 8.360 nan 0.000 0.397 258 Q N 4.132 123.536 119.800 -0.659 0.000 2.337 258 Q HA 0.132 4.492 4.340 0.032 0.000 0.255 258 Q C 0.176 176.045 176.000 -0.219 0.000 0.997 258 Q CA -0.021 55.497 55.803 -0.475 0.000 0.925 258 Q CB 0.516 28.919 28.738 -0.560 0.000 1.212 258 Q HN 0.712 nan 8.270 nan 0.000 0.436 259 I N 2.849 123.333 120.570 -0.144 0.000 3.251 259 I HA 0.068 4.257 4.170 0.032 0.000 0.277 259 I C 0.453 176.529 176.117 -0.069 0.000 1.268 259 I CA 0.591 61.833 61.300 -0.097 0.000 1.449 259 I CB 0.213 38.161 38.000 -0.086 0.000 1.083 259 I HN 0.698 nan 8.210 nan 0.000 0.464 260 E N 0.094 120.257 120.200 -0.061 0.000 2.650 260 E HA 0.439 4.808 4.350 0.032 0.000 0.297 260 E C -1.652 174.939 176.600 -0.015 0.000 1.131 260 E CA -0.442 55.938 56.400 -0.034 0.000 0.913 260 E CB 0.804 30.481 29.700 -0.037 0.000 1.181 260 E HN 0.029 nan 8.360 nan 0.000 0.440 261 A N 1.693 124.518 122.820 0.008 0.000 2.269 261 A HA 1.023 5.362 4.320 0.032 0.000 0.319 261 A C 0.386 177.966 177.584 -0.006 0.000 1.110 261 A CA 0.373 52.427 52.037 0.028 0.000 0.847 261 A CB 1.319 20.357 19.000 0.064 0.000 1.161 261 A HN 0.975 nan 8.150 nan 0.000 0.497 262 G N -1.389 107.399 108.800 -0.020 0.000 2.327 262 G HA2 0.499 4.478 3.960 0.032 0.000 0.291 262 G HA3 0.499 4.478 3.960 0.032 0.000 0.291 262 G C -0.492 174.311 174.900 -0.161 0.000 1.290 262 G CA 0.272 45.333 45.100 -0.065 0.000 0.857 262 G HN 1.675 nan 8.290 nan 0.000 0.520 263 T N 0.140 114.560 114.554 -0.223 0.000 3.390 263 T HA 0.706 5.075 4.350 0.032 0.000 0.351 263 T C -2.079 172.279 174.700 -0.570 0.000 1.759 263 T CA -0.910 60.909 62.100 -0.468 0.000 1.561 263 T CB 1.237 70.102 68.868 -0.005 0.000 1.011 263 T HN 0.559 nan 8.240 nan 0.000 0.689 264 P HA 0.675 nan 4.420 nan 0.000 0.289 264 P C 0.400 177.509 177.300 -0.317 0.000 1.300 264 P CA -0.357 62.296 63.100 -0.744 0.000 0.828 264 P CB 1.515 32.828 31.700 -0.644 0.000 1.235 265 G N -0.116 108.564 108.800 -0.200 0.000 2.736 265 G HA2 0.519 4.498 3.960 0.032 0.000 0.229 265 G HA3 0.519 4.498 3.960 0.032 0.000 0.229 265 G C -0.583 174.270 174.900 -0.079 0.000 1.380 265 G CA -0.792 44.248 45.100 -0.101 0.000 1.040 265 G HN 0.426 nan 8.290 nan 0.000 0.568 266 R N -0.699 119.766 120.500 -0.057 0.000 2.670 266 R HA 0.616 4.976 4.340 0.032 0.000 0.289 266 R C -1.131 175.137 176.300 -0.053 0.000 0.965 266 R CA -0.503 55.563 56.100 -0.057 0.000 0.899 266 R CB 1.953 32.212 30.300 -0.067 0.000 1.173 266 R HN 0.328 nan 8.270 nan 0.000 0.456 267 L N 1.357 122.554 121.223 -0.042 0.000 2.393 267 L HA 0.622 4.981 4.340 0.032 0.000 0.260 267 L C -0.256 176.580 176.870 -0.056 0.000 1.002 267 L CA -1.141 53.668 54.840 -0.051 0.000 0.818 267 L CB 2.380 44.443 42.059 0.007 0.000 1.369 267 L HN 0.373 nan 8.230 nan 0.000 0.412 268 R N 0.687 121.144 120.500 -0.071 0.000 2.460 268 R HA 0.729 5.088 4.340 0.032 0.000 0.303 268 R C -1.332 174.963 176.300 -0.009 0.000 0.968 268 R CA -0.694 55.367 56.100 -0.066 0.000 0.889 268 R CB 2.377 32.632 30.300 -0.074 0.000 1.123 268 R HN 0.352 nan 8.270 nan 0.000 0.455 269 V N 4.132 124.061 119.914 0.025 0.000 2.443 269 V HA 0.265 4.405 4.120 0.032 0.000 0.293 269 V C -0.357 175.775 176.094 0.064 0.000 1.021 269 V CA -0.812 61.539 62.300 0.084 0.000 0.848 269 V CB 1.937 33.873 31.823 0.188 0.000 0.998 269 V HN 0.448 nan 8.190 nan 0.000 0.424 270 V N 4.544 124.493 119.914 0.059 0.000 2.370 270 V HA 0.824 4.963 4.120 0.032 0.000 0.279 270 V C 0.452 176.606 176.094 0.100 0.000 1.029 270 V CA -0.182 62.156 62.300 0.063 0.000 0.870 270 V CB 1.325 33.175 31.823 0.046 0.000 0.984 270 V HN 0.984 nan 8.190 nan 0.000 0.451 271 A N 4.568 127.473 122.820 0.142 0.000 2.413 271 A HA 0.792 5.131 4.320 0.032 0.000 0.307 271 A C -0.738 177.041 177.584 0.324 0.000 1.087 271 A CA -0.700 51.477 52.037 0.233 0.000 0.750 271 A CB 1.819 20.991 19.000 0.287 0.000 1.296 271 A HN 0.701 nan 8.150 nan 0.000 0.423 272 Q N 0.807 120.743 119.800 0.225 0.000 2.316 272 Q HA 0.505 4.864 4.340 0.032 0.000 0.264 272 Q C 0.150 175.993 176.000 -0.262 0.000 0.987 272 Q CA -0.426 55.401 55.803 0.041 0.000 0.852 272 Q CB 1.649 30.388 28.738 0.002 0.000 1.287 272 Q HN 0.966 nan 8.270 nan 0.000 0.448 273 S N 1.743 116.987 115.700 -0.761 0.000 2.606 273 S HA 0.118 4.607 4.470 0.032 0.000 0.257 273 S C 0.547 174.860 174.600 -0.478 0.000 1.327 273 S CA 0.373 57.844 58.200 -1.216 0.000 0.984 273 S CB 0.840 63.376 63.200 -1.106 0.000 0.941 273 S HN 0.720 nan 8.310 nan 0.000 0.576 274 T N 1.641 115.986 114.554 -0.349 0.000 2.990 274 T HA 0.102 4.471 4.350 0.032 0.000 0.250 274 T C 1.195 175.820 174.700 -0.125 0.000 1.041 274 T CA 0.384 62.384 62.100 -0.167 0.000 1.010 274 T CB -0.355 68.454 68.868 -0.097 0.000 1.003 274 T HN 0.824 nan 8.240 nan 0.000 0.499 275 N N 1.742 120.355 118.700 -0.145 0.000 2.356 275 N HA 0.087 4.846 4.740 0.032 0.000 0.178 275 N C 0.802 176.261 175.510 -0.085 0.000 1.075 275 N CA 0.196 53.193 53.050 -0.088 0.000 0.889 275 N CB 0.243 38.692 38.487 -0.062 0.000 0.999 275 N HN 0.399 nan 8.380 nan 0.000 0.464 276 S N -1.045 114.581 115.700 -0.124 0.000 3.144 276 S HA 0.407 4.896 4.470 0.032 0.000 0.325 276 S C -0.323 174.219 174.600 -0.096 0.000 1.161 276 S CA -0.724 57.423 58.200 -0.089 0.000 0.920 276 S CB 1.134 64.293 63.200 -0.069 0.000 1.340 276 S HN -0.004 nan 8.310 nan 0.000 0.681 277 E N 0.226 120.386 120.200 -0.065 0.000 2.693 277 E HA 0.298 4.667 4.350 0.032 0.000 0.214 277 E C -0.028 176.553 176.600 -0.032 0.000 0.990 277 E CA -0.230 56.140 56.400 -0.051 0.000 1.047 277 E CB 0.337 30.021 29.700 -0.027 0.000 1.039 277 E HN 0.582 nan 8.360 nan 0.000 0.475 278 E N 0.450 120.627 120.200 -0.039 0.000 2.409 278 E HA 0.185 4.554 4.350 0.032 0.000 0.257 278 E C -0.562 176.081 176.600 0.072 0.000 1.150 278 E CA 0.168 56.585 56.400 0.029 0.000 0.942 278 E CB 0.688 30.433 29.700 0.075 0.000 0.979 278 E HN 0.190 nan 8.360 nan 0.000 0.447 279 I N 3.499 124.155 120.570 0.143 0.000 2.607 279 I HA 0.239 4.428 4.170 0.032 0.000 0.290 279 I C -0.883 175.344 176.117 0.184 0.000 1.129 279 I CA -0.776 60.634 61.300 0.183 0.000 1.042 279 I CB 1.516 39.575 38.000 0.097 0.000 1.242 279 I HN 0.426 nan 8.210 nan 0.000 0.421 280 I N 3.718 124.414 120.570 0.209 0.000 2.957 280 I HA 0.749 4.939 4.170 0.032 0.000 0.310 280 I C -0.780 175.354 176.117 0.027 0.000 1.063 280 I CA -0.481 60.858 61.300 0.066 0.000 1.033 280 I CB 1.955 39.912 38.000 -0.072 0.000 1.230 280 I HN 0.573 nan 8.210 nan 0.000 0.447 281 E N 1.208 121.397 120.200 -0.018 0.000 2.331 281 E HA 0.853 5.222 4.350 0.032 0.000 0.275 281 E C -0.965 175.579 176.600 -0.093 0.000 0.895 281 E CA -1.226 55.153 56.400 -0.035 0.000 0.753 281 E CB 2.162 31.845 29.700 -0.029 0.000 1.216 281 E HN 1.067 nan 8.360 nan 0.000 0.434 282 G N 1.183 109.900 108.800 -0.139 0.000 2.704 282 G HA2 0.489 4.468 3.960 0.032 0.000 0.293 282 G HA3 0.489 4.468 3.960 0.032 0.000 0.293 282 G C -1.692 172.924 174.900 -0.474 0.000 1.421 282 G CA -0.907 43.997 45.100 -0.327 0.000 0.870 282 G HN 0.719 nan 8.290 nan 0.000 0.492 283 E N -0.238 119.599 120.200 -0.606 0.000 2.210 283 E HA 0.704 5.074 4.350 0.032 0.000 0.266 283 E C -1.671 174.528 176.600 -0.668 0.000 0.883 283 E CA -0.880 55.235 56.400 -0.475 0.000 0.761 283 E CB 2.041 31.595 29.700 -0.244 0.000 1.156 283 E HN 0.501 nan 8.360 nan 0.000 0.412 284 Y N 1.549 121.816 120.300 -0.055 0.000 2.602 284 Y HA 0.290 4.858 4.550 0.031 0.000 0.342 284 Y C 0.774 176.637 175.900 -0.062 0.000 1.029 284 Y CA -1.010 57.055 58.100 -0.059 0.000 1.080 284 Y CB 1.871 40.297 38.460 -0.057 0.000 1.284 284 Y HN 0.538 nan 8.280 nan 0.000 0.485 285 N N -0.495 118.267 118.700 0.103 0.000 2.216 285 N HA -0.019 4.740 4.740 0.032 0.000 0.183 285 N C -0.424 175.095 175.510 0.014 0.000 1.017 285 N CA 1.455 54.507 53.050 0.004 0.000 0.861 285 N CB 0.232 38.686 38.487 -0.055 0.000 0.986 285 N HN 0.636 nan 8.380 nan 0.000 0.428 286 T N -1.830 112.747 114.554 0.037 0.000 2.841 286 T HA 0.643 5.012 4.350 0.032 0.000 0.296 286 T C -1.015 173.692 174.700 0.011 0.000 1.166 286 T CA -0.837 61.288 62.100 0.041 0.000 1.007 286 T CB 2.568 71.460 68.868 0.041 0.000 1.253 286 T HN -0.329 nan 8.240 nan 0.000 0.511 287 V N 1.558 121.477 119.914 0.009 0.000 2.567 287 V HA 0.505 4.644 4.120 0.032 0.000 0.298 287 V C -0.735 175.327 176.094 -0.053 0.000 1.047 287 V CA -0.663 61.611 62.300 -0.043 0.000 0.880 287 V CB 1.685 33.517 31.823 0.016 0.000 1.009 287 V HN 0.986 nan 8.190 nan 0.000 0.429 288 M N 5.225 124.760 119.600 -0.109 0.000 2.404 288 M HA 0.700 5.199 4.480 0.032 0.000 0.338 288 M C -1.921 174.290 176.300 -0.149 0.000 1.150 288 M CA -0.790 54.436 55.300 -0.123 0.000 1.016 288 M CB 1.666 34.183 32.600 -0.139 0.000 1.672 288 M HN 0.489 nan 8.290 nan 0.000 0.448 289 L N 4.336 125.449 121.223 -0.183 0.000 2.296 289 L HA 0.625 4.984 4.340 0.032 0.000 0.286 289 L C -0.216 176.543 176.870 -0.185 0.000 1.023 289 L CA 0.059 54.778 54.840 -0.202 0.000 0.812 289 L CB 1.676 43.551 42.059 -0.307 0.000 1.223 289 L HN 0.819 nan 8.230 nan 0.000 0.421 290 A N 4.230 126.963 122.820 -0.145 0.000 3.355 290 A HA 0.458 4.797 4.320 0.032 0.000 0.290 290 A C 0.543 178.065 177.584 -0.102 0.000 0.973 290 A CA -0.240 51.721 52.037 -0.127 0.000 0.933 290 A CB -0.400 18.527 19.000 -0.122 0.000 1.138 290 A HN 0.777 nan 8.150 nan 0.000 0.490 291 I N -3.358 117.156 120.570 -0.094 0.000 4.018 291 I HA 0.661 4.850 4.170 0.032 0.000 0.337 291 I C 0.577 176.667 176.117 -0.046 0.000 1.327 291 I CA 0.290 61.554 61.300 -0.060 0.000 1.100 291 I CB 0.727 38.699 38.000 -0.047 0.000 1.025 291 I HN 0.522 nan 8.210 nan 0.000 0.396 292 G N 1.006 109.772 108.800 -0.057 0.000 2.353 292 G HA2 0.312 4.291 3.960 0.032 0.000 0.308 292 G HA3 0.312 4.291 3.960 0.032 0.000 0.308 292 G C -1.580 173.307 174.900 -0.023 0.000 1.418 292 G CA -1.194 43.884 45.100 -0.038 0.000 0.966 292 G HN 0.221 nan 8.290 nan 0.000 0.638 293 R N -0.212 120.286 120.500 -0.003 0.000 2.686 293 R HA 0.590 4.949 4.340 0.032 0.000 0.286 293 R C -1.716 174.607 176.300 0.039 0.000 0.969 293 R CA -0.883 55.231 56.100 0.024 0.000 0.898 293 R CB 2.192 32.507 30.300 0.026 0.000 1.183 293 R HN 0.492 nan 8.270 nan 0.000 0.456 294 D N 1.368 121.803 120.400 0.057 0.000 2.425 294 D HA 0.310 4.969 4.640 0.032 0.000 0.240 294 D C -0.424 175.913 176.300 0.063 0.000 1.080 294 D CA -0.389 53.644 54.000 0.056 0.000 0.836 294 D CB 1.805 42.643 40.800 0.062 0.000 1.125 294 D HN 0.606 nan 8.370 nan 0.000 0.525 295 A N 1.662 124.515 122.820 0.054 0.000 2.587 295 A HA 0.020 4.359 4.320 0.032 0.000 0.233 295 A C 0.312 177.936 177.584 0.067 0.000 1.049 295 A CA -0.119 51.953 52.037 0.058 0.000 0.754 295 A CB 0.122 19.150 19.000 0.048 0.000 0.977 295 A HN 0.813 nan 8.150 nan 0.000 0.509 296 C N 2.975 122.320 119.300 0.075 0.000 2.298 296 C HA 0.425 4.905 4.460 0.032 0.000 0.451 296 C C 1.490 176.533 174.990 0.089 0.000 1.028 296 C CA 0.331 59.401 59.018 0.087 0.000 1.324 296 C CB -1.945 25.850 27.740 0.091 0.000 1.534 296 C HN 0.889 nan 8.230 nan 0.000 0.528 297 T N -2.102 112.498 114.554 0.077 0.000 3.144 297 T HA 0.121 4.490 4.350 0.032 0.000 0.290 297 T C 1.477 176.215 174.700 0.063 0.000 0.966 297 T CA -0.284 61.860 62.100 0.073 0.000 0.907 297 T CB 0.010 68.908 68.868 0.049 0.000 1.152 297 T HN 0.434 nan 8.240 nan 0.000 0.532 298 R N 2.001 122.541 120.500 0.066 0.000 2.173 298 R HA 0.267 4.626 4.340 0.032 0.000 0.208 298 R C 0.721 177.053 176.300 0.053 0.000 1.035 298 R CA 0.524 56.653 56.100 0.048 0.000 1.004 298 R CB -0.058 30.267 30.300 0.042 0.000 0.917 298 R HN 0.365 nan 8.270 nan 0.000 0.462 299 K N 1.337 121.788 120.400 0.086 0.000 3.045 299 K HA 0.293 4.633 4.320 0.032 0.000 0.211 299 K C 0.874 177.542 176.600 0.113 0.000 1.141 299 K CA -0.040 56.290 56.287 0.072 0.000 1.036 299 K CB 0.556 33.091 32.500 0.059 0.000 0.851 299 K HN 0.139 nan 8.250 nan 0.000 0.462 300 I N -4.250 116.407 120.570 0.145 0.000 4.240 300 I HA 0.358 4.547 4.170 0.032 0.000 0.331 300 I C 0.604 176.865 176.117 0.240 0.000 1.381 300 I CA -0.341 61.091 61.300 0.219 0.000 1.136 300 I CB 0.870 39.038 38.000 0.281 0.000 1.137 300 I HN 0.216 nan 8.210 nan 0.000 0.411 301 G N 2.599 111.479 108.800 0.133 0.000 2.204 301 G HA2 -0.233 3.747 3.960 0.032 0.000 0.244 301 G HA3 -0.233 3.747 3.960 0.032 0.000 0.244 301 G C 0.427 175.337 174.900 0.016 0.000 1.062 301 G CA 0.325 45.485 45.100 0.100 0.000 0.798 301 G HN 0.431 nan 8.290 nan 0.000 0.496 302 L N -0.727 120.473 121.223 -0.039 0.000 2.456 302 L HA -0.010 4.349 4.340 0.032 0.000 0.224 302 L C 2.595 179.345 176.870 -0.200 0.000 1.148 302 L CA 1.672 56.392 54.840 -0.200 0.000 0.825 302 L CB -0.154 41.823 42.059 -0.136 0.000 0.937 302 L HN 0.439 nan 8.230 nan 0.000 0.450 303 E N -0.780 119.353 120.200 -0.112 0.000 2.028 303 E HA -0.183 4.186 4.350 0.032 0.000 0.190 303 E C 2.115 178.653 176.600 -0.102 0.000 0.984 303 E CA 1.550 57.894 56.400 -0.094 0.000 0.800 303 E CB -0.762 28.905 29.700 -0.055 0.000 0.758 303 E HN 0.351 nan 8.360 nan 0.000 0.448 304 T N -0.968 113.539 114.554 -0.079 0.000 3.026 304 T HA -0.112 4.257 4.350 0.032 0.000 0.271 304 T C 1.418 176.061 174.700 -0.095 0.000 1.149 304 T CA 1.395 63.461 62.100 -0.055 0.000 1.088 304 T CB -0.307 68.561 68.868 0.000 0.000 0.857 304 T HN 0.087 nan 8.240 nan 0.000 0.551 305 V N -2.382 117.405 119.914 -0.212 0.000 3.562 305 V HA 0.648 4.787 4.120 0.032 0.000 0.270 305 V C 1.924 177.867 176.094 -0.252 0.000 1.418 305 V CA -0.111 62.023 62.300 -0.275 0.000 1.033 305 V CB -0.114 31.347 31.823 -0.603 0.000 0.820 305 V HN 0.611 nan 8.190 nan 0.000 0.441 306 G N 0.715 109.374 108.800 -0.234 0.000 2.175 306 G HA2 -0.172 3.808 3.960 0.032 0.000 0.182 306 G HA3 -0.172 3.808 3.960 0.032 0.000 0.182 306 G C 0.023 174.799 174.900 -0.208 0.000 1.003 306 G CA -0.071 44.920 45.100 -0.181 0.000 0.666 306 G HN 0.399 nan 8.290 nan 0.000 0.506 307 V N 1.360 121.110 119.914 -0.273 0.000 2.488 307 V HA 0.406 4.545 4.120 0.032 0.000 0.277 307 V C 0.758 176.755 176.094 -0.161 0.000 1.046 307 V CA 0.099 62.252 62.300 -0.244 0.000 0.986 307 V CB 1.483 33.118 31.823 -0.312 0.000 0.989 307 V HN 0.315 nan 8.190 nan 0.000 0.475 308 K N 5.541 125.864 120.400 -0.129 0.000 2.213 308 K HA 0.653 4.992 4.320 0.032 0.000 0.270 308 K C -0.471 176.081 176.600 -0.081 0.000 1.002 308 K CA -0.478 55.753 56.287 -0.093 0.000 0.868 308 K CB 1.149 33.602 32.500 -0.080 0.000 1.093 308 K HN 0.760 nan 8.250 nan 0.000 0.454 309 I N 0.205 120.737 120.570 -0.063 0.000 3.067 309 I HA 0.422 4.612 4.170 0.032 0.000 0.312 309 I C -0.686 175.409 176.117 -0.037 0.000 1.073 309 I CA -0.975 60.297 61.300 -0.047 0.000 1.016 309 I CB 1.963 39.942 38.000 -0.036 0.000 1.227 309 I HN 0.462 nan 8.210 nan 0.000 0.456 310 N N 3.220 121.903 118.700 -0.028 0.000 2.555 310 N HA 0.058 4.818 4.740 0.032 0.000 0.244 310 N C 0.554 176.054 175.510 -0.016 0.000 1.114 310 N CA -0.144 52.892 53.050 -0.024 0.000 0.963 310 N CB 0.644 39.117 38.487 -0.023 0.000 1.276 310 N HN 0.668 nan 8.380 nan 0.000 0.510 311 E N 2.486 122.676 120.200 -0.017 0.000 2.284 311 E HA -0.269 4.100 4.350 0.032 0.000 0.200 311 E C 1.297 177.894 176.600 -0.006 0.000 1.008 311 E CA 0.974 57.367 56.400 -0.011 0.000 0.829 311 E CB 0.217 29.909 29.700 -0.014 0.000 0.744 311 E HN 0.685 nan 8.360 nan 0.000 0.491 312 K N 0.805 121.201 120.400 -0.008 0.000 1.965 312 K HA -0.158 4.182 4.320 0.032 0.000 0.214 312 K C 2.385 178.984 176.600 -0.001 0.000 1.046 312 K CA 2.310 58.593 56.287 -0.005 0.000 0.944 312 K CB -0.134 32.361 32.500 -0.008 0.000 0.726 312 K HN 0.229 nan 8.250 nan 0.000 0.441 313 T N -3.717 110.835 114.554 -0.002 0.000 2.755 313 T HA 0.214 4.583 4.350 0.032 0.000 0.251 313 T C 1.653 176.357 174.700 0.007 0.000 1.044 313 T CA 1.096 63.197 62.100 0.002 0.000 1.154 313 T CB 0.086 68.953 68.868 -0.002 0.000 0.866 313 T HN 0.498 nan 8.240 nan 0.000 0.416 314 G N 0.771 109.574 108.800 0.005 0.000 3.110 314 G HA2 -0.036 3.943 3.960 0.032 0.000 0.205 314 G HA3 -0.036 3.943 3.960 0.032 0.000 0.205 314 G C 0.169 175.074 174.900 0.009 0.000 1.019 314 G CA -0.386 44.721 45.100 0.011 0.000 0.826 314 G HN 0.473 nan 8.290 nan 0.000 0.481 315 K N 0.554 120.957 120.400 0.004 0.000 2.188 315 K HA 0.496 4.836 4.320 0.032 0.000 0.246 315 K C 0.277 176.872 176.600 -0.010 0.000 1.026 315 K CA 0.158 56.445 56.287 0.001 0.000 0.871 315 K CB 0.473 32.969 32.500 -0.006 0.000 1.042 315 K HN 0.367 nan 8.250 nan 0.000 0.509 316 I N 3.046 123.607 120.570 -0.014 0.000 2.436 316 I HA 0.196 4.385 4.170 0.032 0.000 0.289 316 I C -2.110 173.983 176.117 -0.040 0.000 1.010 316 I CA -2.302 58.982 61.300 -0.027 0.000 1.098 316 I CB 2.303 40.293 38.000 -0.018 0.000 1.266 316 I HN 0.310 nan 8.210 nan 0.000 0.434 317 P HA 0.256 nan 4.420 nan 0.000 0.275 317 P C -0.962 176.300 177.300 -0.064 0.000 1.228 317 P CA -0.069 62.996 63.100 -0.059 0.000 0.786 317 P CB 1.932 33.598 31.700 -0.058 0.000 0.927 318 V N -1.078 118.796 119.914 -0.068 0.000 3.178 318 V HA 0.619 4.758 4.120 0.032 0.000 0.302 318 V C 0.049 176.109 176.094 -0.058 0.000 1.262 318 V CA -0.667 61.596 62.300 -0.062 0.000 1.030 318 V CB 1.170 32.972 31.823 -0.035 0.000 1.074 318 V HN 0.773 nan 8.190 nan 0.000 0.438 319 T N -0.532 113.996 114.554 -0.042 0.000 2.732 319 T HA 0.275 4.644 4.350 0.032 0.000 0.287 319 T C 0.649 175.349 174.700 -0.001 0.000 0.993 319 T CA 0.643 62.727 62.100 -0.025 0.000 0.966 319 T CB 0.537 69.394 68.868 -0.019 0.000 1.047 319 T HN 1.248 nan 8.240 nan 0.000 0.527 320 D N -1.186 119.222 120.400 0.013 0.000 2.348 320 D HA -0.003 4.657 4.640 0.032 0.000 0.248 320 D C 0.679 177.031 176.300 0.086 0.000 1.142 320 D CA 0.256 54.283 54.000 0.044 0.000 0.904 320 D CB -0.357 40.468 40.800 0.042 0.000 0.901 320 D HN 0.829 nan 8.370 nan 0.000 0.523 321 E N -0.097 120.157 120.200 0.090 0.000 2.812 321 E HA 0.076 4.446 4.350 0.032 0.000 0.211 321 E C -0.508 176.209 176.600 0.195 0.000 0.986 321 E CA -0.294 56.184 56.400 0.131 0.000 1.119 321 E CB 0.358 30.134 29.700 0.126 0.000 1.046 321 E HN 0.013 nan 8.360 nan 0.000 0.474 322 E N 1.112 121.409 120.200 0.161 0.000 2.586 322 E HA -0.242 4.128 4.350 0.032 0.000 0.259 322 E C -0.338 176.406 176.600 0.240 0.000 1.107 322 E CA 0.717 57.229 56.400 0.186 0.000 0.754 322 E CB -1.158 28.673 29.700 0.218 0.000 1.335 322 E HN 0.309 nan 8.360 nan 0.000 0.411 323 Q N 0.250 120.099 119.800 0.082 0.000 2.245 323 Q HA 0.452 4.812 4.340 0.032 0.000 0.256 323 Q C 0.637 176.517 176.000 -0.199 0.000 0.942 323 Q CA 0.045 55.717 55.803 -0.218 0.000 0.896 323 Q CB 1.082 29.674 28.738 -0.244 0.000 1.272 323 Q HN 0.325 nan 8.270 nan 0.000 0.442 324 T N -0.974 113.409 114.554 -0.285 0.000 2.914 324 T HA 0.096 4.465 4.350 0.032 0.000 0.313 324 T C 1.131 175.715 174.700 -0.193 0.000 1.137 324 T CA 0.019 61.999 62.100 -0.199 0.000 0.946 324 T CB 0.109 68.851 68.868 -0.210 0.000 1.558 324 T HN 0.812 nan 8.240 nan 0.000 0.565 325 N N -0.488 118.113 118.700 -0.166 0.000 2.446 325 N HA -0.021 4.739 4.740 0.032 0.000 0.179 325 N C -0.143 175.277 175.510 -0.149 0.000 1.054 325 N CA 0.136 53.105 53.050 -0.135 0.000 0.905 325 N CB 0.026 38.446 38.487 -0.111 0.000 0.973 325 N HN 0.324 nan 8.380 nan 0.000 0.448 326 V N 2.721 122.509 119.914 -0.210 0.000 2.333 326 V HA 0.218 4.358 4.120 0.032 0.000 0.274 326 V C -1.467 174.488 176.094 -0.233 0.000 1.028 326 V CA -1.384 60.789 62.300 -0.212 0.000 0.851 326 V CB 1.424 33.034 31.823 -0.354 0.000 1.000 326 V HN -0.049 nan 8.190 nan 0.000 0.456 327 P HA -0.211 nan 4.420 nan 0.000 0.218 327 P C 0.796 178.101 177.300 0.008 0.000 1.147 327 P CA 1.679 64.745 63.100 -0.057 0.000 0.827 327 P CB -0.067 31.667 31.700 0.056 0.000 0.778 328 Y N -3.220 117.033 120.300 -0.079 0.000 2.507 328 Y HA 0.526 5.095 4.550 0.032 0.000 0.254 328 Y C 0.186 176.170 175.900 0.140 0.000 1.171 328 Y CA -1.216 56.936 58.100 0.086 0.000 1.238 328 Y CB -0.446 38.095 38.460 0.136 0.000 1.148 328 Y HN -0.228 nan 8.280 nan 0.000 0.525 329 I N 1.526 121.869 120.570 -0.378 0.000 2.436 329 I HA 0.355 4.544 4.170 0.032 0.000 0.289 329 I C -1.335 174.657 176.117 -0.209 0.000 1.010 329 I CA -0.863 60.307 61.300 -0.216 0.000 1.098 329 I CB 1.303 39.033 38.000 -0.450 0.000 1.266 329 I HN -0.089 nan 8.210 nan 0.000 0.434 330 Y N 4.214 124.532 120.300 0.030 0.000 2.549 330 Y HA 0.866 5.435 4.550 0.032 0.000 0.339 330 Y C 0.149 176.081 175.900 0.055 0.000 1.053 330 Y CA -1.144 56.975 58.100 0.032 0.000 1.105 330 Y CB 1.986 40.474 38.460 0.047 0.000 1.258 330 Y HN 0.524 nan 8.280 nan 0.000 0.478 331 A N 1.928 124.875 122.820 0.212 0.000 2.486 331 A HA 0.889 5.229 4.320 0.032 0.000 0.300 331 A C -1.556 176.111 177.584 0.138 0.000 1.048 331 A CA -0.656 51.468 52.037 0.146 0.000 0.696 331 A CB 0.933 19.984 19.000 0.086 0.000 1.278 331 A HN 0.708 nan 8.150 nan 0.000 0.405 332 I N -1.050 119.593 120.570 0.121 0.000 2.722 332 I HA 0.965 5.154 4.170 0.032 0.000 0.295 332 I C 0.295 176.473 176.117 0.102 0.000 1.161 332 I CA 0.177 61.549 61.300 0.121 0.000 1.032 332 I CB 1.926 39.993 38.000 0.111 0.000 1.244 332 I HN 1.954 nan 8.210 nan 0.000 0.421 333 G N 3.398 112.268 108.800 0.117 0.000 2.396 333 G HA2 -0.122 3.857 3.960 0.032 0.000 0.254 333 G HA3 -0.122 3.857 3.960 0.032 0.000 0.254 333 G C -0.261 174.694 174.900 0.091 0.000 1.248 333 G CA 0.078 45.235 45.100 0.094 0.000 1.033 333 G HN 0.658 nan 8.290 nan 0.000 0.502 334 D N 0.143 120.589 120.400 0.077 0.000 2.221 334 D HA -0.098 4.561 4.640 0.032 0.000 0.204 334 D C 2.414 178.752 176.300 0.062 0.000 0.982 334 D CA 1.577 55.621 54.000 0.074 0.000 0.857 334 D CB -0.206 40.637 40.800 0.072 0.000 0.934 334 D HN 0.710 nan 8.370 nan 0.000 0.475 335 I N -1.966 118.639 120.570 0.059 0.000 3.605 335 I HA 0.062 4.252 4.170 0.032 0.000 0.301 335 I C -0.197 175.941 176.117 0.035 0.000 1.267 335 I CA -0.210 61.119 61.300 0.048 0.000 1.236 335 I CB -0.194 37.838 38.000 0.054 0.000 1.010 335 I HN -0.236 nan 8.210 nan 0.000 0.491 336 L N 1.291 122.534 121.223 0.034 0.000 2.379 336 L HA 0.361 4.721 4.340 0.032 0.000 0.269 336 L C 0.580 177.439 176.870 -0.018 0.000 1.084 336 L CA -0.044 54.798 54.840 0.003 0.000 0.802 336 L CB 0.749 42.803 42.059 -0.008 0.000 1.175 336 L HN 0.144 nan 8.230 nan 0.000 0.448 337 E N 2.293 122.469 120.200 -0.040 0.000 2.259 337 E HA 0.027 4.396 4.350 0.032 0.000 0.281 337 E C -0.810 175.749 176.600 -0.067 0.000 1.037 337 E CA -0.090 56.283 56.400 -0.044 0.000 0.854 337 E CB 0.426 30.099 29.700 -0.046 0.000 1.051 337 E HN 0.475 nan 8.360 nan 0.000 0.409 338 D N 3.169 123.538 120.400 -0.052 0.000 2.812 338 D HA -0.187 4.472 4.640 0.032 0.000 0.237 338 D C 0.034 176.278 176.300 -0.093 0.000 1.162 338 D CA 0.998 54.962 54.000 -0.060 0.000 0.740 338 D CB -0.158 40.603 40.800 -0.065 0.000 1.000 338 D HN 0.377 nan 8.370 nan 0.000 0.416 339 K N -1.136 119.226 120.400 -0.064 0.000 1.902 339 K HA 0.579 4.918 4.320 0.032 0.000 0.309 339 K C -0.065 176.576 176.600 0.069 0.000 0.941 339 K CA -0.138 56.105 56.287 -0.074 0.000 0.607 339 K CB 0.656 33.045 32.500 -0.184 0.000 3.432 339 K HN -0.014 nan 8.250 nan 0.000 1.214 340 V N 2.148 122.164 119.914 0.171 0.000 2.623 340 V HA 0.372 4.511 4.120 0.032 0.000 0.304 340 V C -0.834 175.345 176.094 0.143 0.000 1.054 340 V CA -0.734 61.665 62.300 0.165 0.000 0.882 340 V CB 1.693 33.639 31.823 0.205 0.000 1.002 340 V HN 0.481 nan 8.190 nan 0.000 0.424 341 E N 5.216 125.483 120.200 0.113 0.000 2.280 341 E HA 0.530 4.899 4.350 0.032 0.000 0.279 341 E C -0.951 175.716 176.600 0.111 0.000 1.325 341 E CA -0.076 56.392 56.400 0.113 0.000 1.486 341 E CB 0.564 30.336 29.700 0.120 0.000 1.466 341 E HN 0.526 nan 8.360 nan 0.000 0.473 342 L N -0.535 120.738 121.223 0.083 0.000 2.350 342 L HA 0.317 4.677 4.340 0.032 0.000 0.260 342 L C 1.313 178.203 176.870 0.033 0.000 1.015 342 L CA -0.674 54.197 54.840 0.052 0.000 0.821 342 L CB 2.010 44.086 42.059 0.027 0.000 1.370 342 L HN 0.071 nan 8.230 nan 0.000 0.416 343 T N -0.075 114.487 114.554 0.015 0.000 2.708 343 T HA -0.066 4.303 4.350 0.032 0.000 0.266 343 T C -1.172 173.522 174.700 -0.009 0.000 1.037 343 T CA 1.560 63.660 62.100 0.000 0.000 1.146 343 T CB -0.720 68.140 68.868 -0.014 0.000 0.865 343 T HN 0.462 nan 8.240 nan 0.000 0.435 344 P HA -0.044 nan 4.420 nan 0.000 0.216 344 P C 1.768 179.043 177.300 -0.041 0.000 1.150 344 P CA 0.424 63.508 63.100 -0.026 0.000 0.837 344 P CB -0.182 31.500 31.700 -0.029 0.000 0.786 345 V N -0.155 119.734 119.914 -0.041 0.000 2.307 345 V HA -0.222 3.917 4.120 0.032 0.000 0.245 345 V C 2.146 178.208 176.094 -0.054 0.000 1.045 345 V CA 2.341 64.592 62.300 -0.082 0.000 1.024 345 V CB -1.333 30.455 31.823 -0.058 0.000 0.651 345 V HN 0.060 nan 8.190 nan 0.000 0.449 346 A N 0.084 122.906 122.820 0.003 0.000 1.908 346 A HA -0.186 4.153 4.320 0.032 0.000 0.218 346 A C 2.105 179.692 177.584 0.004 0.000 1.181 346 A CA 2.262 54.315 52.037 0.025 0.000 0.627 346 A CB -0.682 18.337 19.000 0.031 0.000 0.818 346 A HN 0.620 nan 8.150 nan 0.000 0.445 347 I N -0.960 119.603 120.570 -0.011 0.000 2.286 347 I HA -0.286 3.903 4.170 0.032 0.000 0.248 347 I C 2.749 178.857 176.117 -0.015 0.000 1.115 347 I CA 1.763 63.056 61.300 -0.011 0.000 1.392 347 I CB -0.370 37.623 38.000 -0.012 0.000 1.065 347 I HN 0.403 nan 8.210 nan 0.000 0.418 348 Q N 1.351 121.128 119.800 -0.038 0.000 1.993 348 Q HA -0.173 4.186 4.340 0.032 0.000 0.202 348 Q C 2.295 178.270 176.000 -0.041 0.000 0.984 348 Q CA 2.423 58.194 55.803 -0.053 0.000 0.837 348 Q CB -0.442 28.234 28.738 -0.104 0.000 0.902 348 Q HN 0.462 nan 8.270 nan 0.000 0.423 349 A N -0.037 122.753 122.820 -0.050 0.000 1.884 349 A HA -0.202 4.138 4.320 0.032 0.000 0.219 349 A C 2.311 179.911 177.584 0.027 0.000 1.197 349 A CA 2.172 54.212 52.037 0.005 0.000 0.637 349 A CB -1.721 17.324 19.000 0.075 0.000 0.827 349 A HN 0.594 nan 8.150 nan 0.000 0.450 350 G N -1.035 107.781 108.800 0.027 0.000 2.459 350 G HA2 -0.278 3.701 3.960 0.032 0.000 0.217 350 G HA3 -0.278 3.701 3.960 0.032 0.000 0.217 350 G C 1.747 176.666 174.900 0.031 0.000 1.183 350 G CA 1.194 46.312 45.100 0.030 0.000 0.776 350 G HN 0.585 nan 8.290 nan 0.000 0.552 351 R N -0.202 120.315 120.500 0.028 0.000 2.088 351 R HA 0.031 4.390 4.340 0.032 0.000 0.232 351 R C 2.692 179.020 176.300 0.047 0.000 1.136 351 R CA 1.435 57.562 56.100 0.045 0.000 0.926 351 R CB -0.547 29.771 30.300 0.030 0.000 0.837 351 R HN 0.363 nan 8.270 nan 0.000 0.429 352 L N 0.910 122.146 121.223 0.020 0.000 2.129 352 L HA -0.233 4.126 4.340 0.032 0.000 0.212 352 L C 2.417 179.285 176.870 -0.003 0.000 1.087 352 L CA 0.680 55.526 54.840 0.009 0.000 0.757 352 L CB -0.371 41.685 42.059 -0.004 0.000 0.896 352 L HN 0.332 nan 8.230 nan 0.000 0.434 353 L N -0.138 121.081 121.223 -0.007 0.000 1.973 353 L HA -0.127 4.233 4.340 0.032 0.000 0.208 353 L C 2.689 179.516 176.870 -0.071 0.000 1.073 353 L CA 2.072 56.877 54.840 -0.059 0.000 0.746 353 L CB -0.918 41.092 42.059 -0.082 0.000 0.891 353 L HN 0.132 nan 8.230 nan 0.000 0.433 354 A N -0.962 121.867 122.820 0.016 0.000 1.954 354 A HA -0.377 3.962 4.320 0.032 0.000 0.222 354 A C 2.253 179.887 177.584 0.083 0.000 1.199 354 A CA 2.535 54.663 52.037 0.152 0.000 0.657 354 A CB -0.900 18.237 19.000 0.228 0.000 0.823 354 A HN 0.743 nan 8.150 nan 0.000 0.463 355 Q N -1.696 118.108 119.800 0.008 0.000 2.046 355 Q HA -0.161 4.198 4.340 0.032 0.000 0.200 355 Q C 2.463 178.368 176.000 -0.158 0.000 0.975 355 Q CA 1.511 57.237 55.803 -0.127 0.000 0.836 355 Q CB -0.154 28.564 28.738 -0.034 0.000 0.896 355 Q HN 0.710 nan 8.270 nan 0.000 0.428 356 R N 0.292 120.727 120.500 -0.108 0.000 2.096 356 R HA -0.125 4.234 4.340 0.032 0.000 0.235 356 R C 2.132 178.336 176.300 -0.161 0.000 1.127 356 R CA 0.870 56.907 56.100 -0.105 0.000 0.968 356 R CB -0.055 30.203 30.300 -0.069 0.000 0.861 356 R HN 0.194 nan 8.270 nan 0.000 0.440 357 L N -1.203 119.871 121.223 -0.248 0.000 2.013 357 L HA -0.111 4.248 4.340 0.032 0.000 0.204 357 L C 1.256 177.884 176.870 -0.404 0.000 1.081 357 L CA 1.219 55.800 54.840 -0.432 0.000 0.751 357 L CB -0.162 41.427 42.059 -0.783 0.000 0.901 357 L HN 0.214 nan 8.230 nan 0.000 0.440 358 Y N -1.484 118.719 120.300 -0.162 0.000 2.461 358 Y HA 0.329 4.898 4.550 0.032 0.000 0.277 358 Y C 1.188 176.873 175.900 -0.358 0.000 1.182 358 Y CA 0.292 58.284 58.100 -0.179 0.000 1.276 358 Y CB -0.016 38.389 38.460 -0.092 0.000 1.087 358 Y HN 0.131 nan 8.280 nan 0.000 0.519 359 A N -0.816 121.811 122.820 -0.322 0.000 2.635 359 A HA 0.560 4.899 4.320 0.032 0.000 0.279 359 A C 1.717 179.177 177.584 -0.206 0.000 1.122 359 A CA 0.262 52.035 52.037 -0.440 0.000 0.965 359 A CB -0.465 17.971 19.000 -0.941 0.000 1.221 359 A HN 0.453 nan 8.150 nan 0.000 0.566 360 G N 0.300 109.016 108.800 -0.140 0.000 2.175 360 G HA2 -0.264 3.715 3.960 0.032 0.000 0.265 360 G HA3 -0.264 3.715 3.960 0.032 0.000 0.265 360 G C 0.666 175.523 174.900 -0.071 0.000 0.979 360 G CA 1.035 46.085 45.100 -0.083 0.000 0.663 360 G HN 1.652 nan 8.290 nan 0.000 0.533 361 S N -0.632 115.012 115.700 -0.094 0.000 2.580 361 S HA 0.513 5.003 4.470 0.032 0.000 0.266 361 S C 1.431 176.006 174.600 -0.042 0.000 1.354 361 S CA 1.644 59.808 58.200 -0.061 0.000 1.008 361 S CB 1.111 64.272 63.200 -0.064 0.000 0.898 361 S HN 1.664 nan 8.310 nan 0.000 0.555 362 T N -0.059 114.481 114.554 -0.023 0.000 3.403 362 T HA 0.292 4.661 4.350 0.032 0.000 0.308 362 T C -0.457 174.242 174.700 -0.001 0.000 0.952 362 T CA -0.337 61.756 62.100 -0.011 0.000 0.970 362 T CB -0.433 68.431 68.868 -0.006 0.000 1.189 362 T HN 0.360 nan 8.240 nan 0.000 0.528 363 V N 3.639 123.551 119.914 -0.004 0.000 2.461 363 V HA 0.439 4.578 4.120 0.032 0.000 0.275 363 V C 0.340 176.440 176.094 0.010 0.000 1.047 363 V CA -0.897 61.404 62.300 0.003 0.000 0.955 363 V CB 0.686 32.508 31.823 -0.002 0.000 0.988 363 V HN 0.630 nan 8.190 nan 0.000 0.471 364 K N 3.611 124.025 120.400 0.023 0.000 2.098 364 K HA 0.560 4.899 4.320 0.032 0.000 0.261 364 K C -0.176 176.442 176.600 0.030 0.000 0.987 364 K CA -0.575 55.739 56.287 0.046 0.000 0.916 364 K CB 1.226 33.765 32.500 0.065 0.000 1.039 364 K HN 0.600 nan 8.250 nan 0.000 0.455 365 C N 2.806 122.126 119.300 0.034 0.000 2.566 365 C HA 0.198 4.678 4.460 0.032 0.000 0.393 365 C C -0.161 174.769 174.990 -0.100 0.000 1.309 365 C CA -0.439 58.525 59.018 -0.091 0.000 1.801 365 C CB -0.821 26.791 27.740 -0.213 0.000 2.493 365 C HN 0.888 nan 8.230 nan 0.000 0.575 366 D N 3.447 123.781 120.400 -0.109 0.000 2.312 366 D HA 0.236 4.895 4.640 0.032 0.000 0.252 366 D C -0.135 176.109 176.300 -0.094 0.000 1.150 366 D CA -0.041 53.952 54.000 -0.013 0.000 0.870 366 D CB 0.430 41.230 40.800 0.001 0.000 1.153 366 D HN 0.696 nan 8.370 nan 0.000 0.457 367 Y N 1.230 121.539 120.300 0.016 0.000 2.458 367 Y HA 0.177 4.746 4.550 0.032 0.000 0.256 367 Y C 0.569 176.479 175.900 0.018 0.000 1.159 367 Y CA -0.294 57.816 58.100 0.016 0.000 1.261 367 Y CB 0.274 38.744 38.460 0.017 0.000 1.119 367 Y HN 0.233 nan 8.280 nan 0.000 0.524 368 E N 1.492 121.779 120.200 0.146 0.000 2.313 368 E HA 0.061 4.430 4.350 0.032 0.000 0.276 368 E C -0.126 176.514 176.600 0.067 0.000 1.031 368 E CA -0.159 56.302 56.400 0.100 0.000 0.857 368 E CB 0.314 30.065 29.700 0.085 0.000 1.040 368 E HN 0.213 nan 8.360 nan 0.000 0.408 369 N N 0.788 119.528 118.700 0.067 0.000 2.610 369 N HA -0.159 4.600 4.740 0.032 0.000 0.271 369 N C -1.226 174.298 175.510 0.023 0.000 1.146 369 N CA 0.335 53.414 53.050 0.048 0.000 0.711 369 N CB -0.845 37.668 38.487 0.044 0.000 0.883 369 N HN 0.150 nan 8.380 nan 0.000 0.548 370 V N 2.917 122.848 119.914 0.027 0.000 2.370 370 V HA 0.395 4.534 4.120 0.032 0.000 0.283 370 V C -1.358 174.730 176.094 -0.009 0.000 1.023 370 V CA -1.234 61.069 62.300 0.004 0.000 0.857 370 V CB 1.894 33.725 31.823 0.014 0.000 0.985 370 V HN 0.241 nan 8.190 nan 0.000 0.443 371 P HA 0.222 nan 4.420 nan 0.000 0.270 371 P C -0.416 176.851 177.300 -0.054 0.000 1.223 371 P CA 0.190 63.251 63.100 -0.065 0.000 0.785 371 P CB 1.166 32.814 31.700 -0.086 0.000 0.923 372 T N -0.395 114.108 114.554 -0.084 0.000 2.893 372 T HA 0.465 4.834 4.350 0.032 0.000 0.337 372 T C -1.586 172.996 174.700 -0.197 0.000 1.587 372 T CA -0.289 61.748 62.100 -0.104 0.000 1.066 372 T CB 1.037 69.857 68.868 -0.080 0.000 1.414 372 T HN 0.439 nan 8.240 nan 0.000 0.488 373 T N 1.994 116.425 114.554 -0.205 0.000 2.933 373 T HA 0.615 4.985 4.350 0.032 0.000 0.305 373 T C -1.112 173.337 174.700 -0.417 0.000 1.092 373 T CA -0.557 61.316 62.100 -0.377 0.000 1.008 373 T CB 1.704 70.306 68.868 -0.444 0.000 1.102 373 T HN 0.512 nan 8.240 nan 0.000 0.469 374 V N 3.042 122.620 119.914 -0.559 0.000 2.384 374 V HA 0.389 4.528 4.120 0.032 0.000 0.287 374 V C -0.678 175.191 176.094 -0.375 0.000 1.020 374 V CA -0.680 61.407 62.300 -0.355 0.000 0.850 374 V CB 0.763 32.351 31.823 -0.391 0.000 0.987 374 V HN 0.879 nan 8.190 nan 0.000 0.436 375 F N 3.506 123.382 119.950 -0.124 0.000 2.733 375 F HA 0.208 4.755 4.527 0.033 0.000 0.344 375 F C 1.515 177.117 175.800 -0.330 0.000 1.179 375 F CA -0.414 57.443 58.000 -0.238 0.000 1.316 375 F CB -0.287 38.524 39.000 -0.315 0.000 1.577 375 F HN 0.552 nan 8.300 nan 0.000 0.591 376 T N -2.813 111.708 114.554 -0.055 0.000 2.816 376 T HA 0.224 4.593 4.350 0.032 0.000 0.282 376 T C -1.518 173.224 174.700 0.071 0.000 0.993 376 T CA -1.926 60.187 62.100 0.021 0.000 0.994 376 T CB 1.326 70.223 68.868 0.047 0.000 1.025 376 T HN -0.039 nan 8.240 nan 0.000 0.529 377 P HA -0.093 nan 4.420 nan 0.000 0.219 377 P C 0.293 177.685 177.300 0.154 0.000 1.153 377 P CA 0.853 64.101 63.100 0.246 0.000 0.865 377 P CB -0.010 31.851 31.700 0.269 0.000 0.788 378 L N -0.110 121.064 121.223 -0.082 0.000 2.387 378 L HA 0.238 4.597 4.340 0.032 0.000 0.259 378 L C -0.003 176.843 176.870 -0.041 0.000 1.050 378 L CA -0.797 53.943 54.840 -0.167 0.000 0.922 378 L CB -0.334 41.280 42.059 -0.743 0.000 1.280 378 L HN -0.145 nan 8.230 nan 0.000 0.449 379 E N 2.500 122.732 120.200 0.053 0.000 2.680 379 E HA -0.140 4.230 4.350 0.032 0.000 0.278 379 E C -1.186 175.426 176.600 0.018 0.000 1.018 379 E CA 1.011 57.383 56.400 -0.046 0.000 0.991 379 E CB 0.363 30.019 29.700 -0.075 0.000 1.006 379 E HN 0.444 nan 8.360 nan 0.000 0.464 380 Y N 0.284 120.453 120.300 -0.219 0.000 2.298 380 Y HA 0.456 5.026 4.550 0.032 0.000 0.322 380 Y C -0.813 174.974 175.900 -0.189 0.000 1.138 380 Y CA -1.002 57.008 58.100 -0.149 0.000 1.127 380 Y CB 1.019 39.384 38.460 -0.158 0.000 1.178 380 Y HN 0.480 nan 8.280 nan 0.000 0.428 381 G N 2.785 111.777 108.800 0.319 0.000 2.453 381 G HA2 0.884 4.863 3.960 0.032 0.000 0.323 381 G HA3 0.884 4.863 3.960 0.032 0.000 0.323 381 G C -1.640 173.399 174.900 0.232 0.000 1.198 381 G CA -0.423 44.693 45.100 0.027 0.000 0.959 381 G HN 1.126 nan 8.290 nan 0.000 0.482 382 A N -0.667 122.153 122.820 -0.000 0.000 2.606 382 A HA 0.741 5.080 4.320 0.032 0.000 0.293 382 A C -1.248 176.306 177.584 -0.050 0.000 1.082 382 A CA -0.548 51.515 52.037 0.044 0.000 0.685 382 A CB 1.583 20.529 19.000 -0.090 0.000 1.284 382 A HN 1.720 nan 8.150 nan 0.000 0.408 383 C N 0.630 119.906 119.300 -0.041 0.000 2.701 383 C HA 0.819 5.298 4.460 0.032 0.000 0.336 383 C C 0.727 175.722 174.990 0.009 0.000 1.123 383 C CA 1.311 60.308 59.018 -0.036 0.000 1.326 383 C CB 0.499 28.180 27.740 -0.097 0.000 1.833 383 C HN 2.944 nan 8.230 nan 0.000 0.473 384 G N 4.430 113.252 108.800 0.037 0.000 2.542 384 G HA2 -0.125 3.854 3.960 0.032 0.000 0.235 384 G HA3 -0.125 3.854 3.960 0.032 0.000 0.235 384 G C -0.644 174.334 174.900 0.130 0.000 1.286 384 G CA -0.214 44.938 45.100 0.087 0.000 0.904 384 G HN 1.128 nan 8.290 nan 0.000 0.577 385 L N 0.673 122.003 121.223 0.179 0.000 2.456 385 L HA 0.432 4.792 4.340 0.032 0.000 0.272 385 L C 1.514 178.587 176.870 0.339 0.000 1.189 385 L CA 0.288 55.262 54.840 0.223 0.000 0.846 385 L CB 1.011 43.206 42.059 0.228 0.000 1.111 385 L HN 0.730 nan 8.230 nan 0.000 0.475 386 S N 0.703 116.588 115.700 0.309 0.000 2.640 386 S HA 0.028 4.517 4.470 0.032 0.000 0.262 386 S C 1.055 175.751 174.600 0.161 0.000 1.232 386 S CA -0.197 58.212 58.200 0.349 0.000 0.988 386 S CB 1.109 64.470 63.200 0.269 0.000 1.034 386 S HN 0.756 nan 8.310 nan 0.000 0.569 387 E N -0.026 120.178 120.200 0.007 0.000 2.028 387 E HA -0.116 4.253 4.350 0.032 0.000 0.190 387 E C 1.627 178.246 176.600 0.033 0.000 0.984 387 E CA 1.341 57.729 56.400 -0.019 0.000 0.800 387 E CB -0.182 29.463 29.700 -0.091 0.000 0.758 387 E HN 0.644 nan 8.360 nan 0.000 0.448 388 E N 0.902 121.123 120.200 0.034 0.000 2.013 388 E HA -0.230 4.140 4.350 0.032 0.000 0.202 388 E C 1.978 178.613 176.600 0.058 0.000 1.018 388 E CA 1.517 57.941 56.400 0.040 0.000 0.834 388 E CB -0.188 29.537 29.700 0.040 0.000 0.770 388 E HN -0.033 nan 8.360 nan 0.000 0.459 389 K N 0.224 120.668 120.400 0.074 0.000 2.286 389 K HA -0.112 4.228 4.320 0.032 0.000 0.203 389 K C 1.651 178.307 176.600 0.092 0.000 1.045 389 K CA 1.141 57.470 56.287 0.070 0.000 0.935 389 K CB -0.324 32.224 32.500 0.080 0.000 0.737 389 K HN 0.221 nan 8.250 nan 0.000 0.460 390 A N -0.501 122.398 122.820 0.132 0.000 1.855 390 A HA -0.064 4.276 4.320 0.032 0.000 0.213 390 A C 2.241 179.971 177.584 0.243 0.000 1.195 390 A CA 1.370 53.537 52.037 0.217 0.000 0.610 390 A CB -0.755 18.360 19.000 0.192 0.000 0.837 390 A HN 0.076 nan 8.150 nan 0.000 0.444 391 V N 0.629 120.629 119.914 0.143 0.000 2.252 391 V HA -0.305 3.835 4.120 0.032 0.000 0.249 391 V C 2.551 178.701 176.094 0.093 0.000 1.056 391 V CA 2.430 64.798 62.300 0.114 0.000 1.022 391 V CB -0.672 31.184 31.823 0.054 0.000 0.641 391 V HN 0.774 nan 8.190 nan 0.000 0.445 392 E N -0.400 119.831 120.200 0.052 0.000 2.396 392 E HA -0.276 4.093 4.350 0.032 0.000 0.200 392 E C 2.105 178.680 176.600 -0.042 0.000 1.023 392 E CA 1.297 57.703 56.400 0.010 0.000 0.857 392 E CB 0.010 29.713 29.700 0.006 0.000 0.775 392 E HN 0.595 nan 8.360 nan 0.000 0.525 393 K N -1.250 119.104 120.400 -0.076 0.000 2.370 393 K HA 0.047 4.386 4.320 0.032 0.000 0.194 393 K C 0.754 177.040 176.600 -0.524 0.000 1.070 393 K CA 0.146 56.225 56.287 -0.346 0.000 0.998 393 K CB 0.400 32.584 32.500 -0.526 0.000 0.911 393 K HN 0.040 nan 8.250 nan 0.000 0.533 394 F N -0.242 119.716 119.950 0.013 0.000 2.819 394 F HA 0.340 4.886 4.527 0.032 0.000 0.325 394 F C 0.370 176.173 175.800 0.006 0.000 1.041 394 F CA 0.065 58.072 58.000 0.011 0.000 1.184 394 F CB 1.646 40.655 39.000 0.014 0.000 1.019 394 F HN 0.026 nan 8.300 nan 0.000 0.590 395 G N 1.826 110.732 108.800 0.177 0.000 3.209 395 G HA2 -0.208 3.771 3.960 0.032 0.000 0.686 395 G HA3 -0.208 3.771 3.960 0.032 0.000 0.686 395 G C 0.309 175.254 174.900 0.076 0.000 1.065 395 G CA -0.101 45.057 45.100 0.096 0.000 0.812 395 G HN 0.372 nan 8.290 nan 0.000 0.573 396 E N 0.512 120.740 120.200 0.045 0.000 2.279 396 E HA -0.261 4.108 4.350 0.032 0.000 0.205 396 E C 1.797 178.404 176.600 0.011 0.000 1.028 396 E CA 2.266 58.679 56.400 0.022 0.000 0.830 396 E CB 0.008 29.713 29.700 0.009 0.000 0.736 396 E HN 0.716 nan 8.360 nan 0.000 0.478 397 E N -0.711 119.501 120.200 0.019 0.000 2.285 397 E HA -0.074 4.296 4.350 0.032 0.000 0.194 397 E C 0.612 177.216 176.600 0.006 0.000 0.997 397 E CA 0.785 57.190 56.400 0.009 0.000 0.845 397 E CB 0.104 29.812 29.700 0.013 0.000 0.782 397 E HN 0.427 nan 8.360 nan 0.000 0.491 398 N N -0.153 118.561 118.700 0.022 0.000 2.230 398 N HA 0.123 4.882 4.740 0.032 0.000 0.202 398 N C -0.600 174.883 175.510 -0.044 0.000 1.119 398 N CA 0.079 53.132 53.050 0.005 0.000 0.851 398 N CB 0.799 39.314 38.487 0.047 0.000 0.990 398 N HN -0.040 nan 8.380 nan 0.000 0.497 399 I N 0.579 121.126 120.570 -0.038 0.000 2.436 399 I HA 0.282 4.471 4.170 0.032 0.000 0.289 399 I C -0.816 175.242 176.117 -0.098 0.000 1.010 399 I CA -1.050 60.206 61.300 -0.073 0.000 1.098 399 I CB 1.866 39.855 38.000 -0.018 0.000 1.266 399 I HN -0.132 nan 8.210 nan 0.000 0.434 400 E N 5.359 125.471 120.200 -0.148 0.000 2.183 400 E HA 0.638 5.008 4.350 0.032 0.000 0.271 400 E C -1.599 174.817 176.600 -0.307 0.000 0.919 400 E CA -0.522 55.727 56.400 -0.252 0.000 0.781 400 E CB 1.777 31.279 29.700 -0.330 0.000 1.140 400 E HN 0.247 nan 8.360 nan 0.000 0.402 401 V N 5.797 125.521 119.914 -0.317 0.000 2.350 401 V HA 0.347 4.486 4.120 0.032 0.000 0.285 401 V C -1.004 174.991 176.094 -0.164 0.000 1.014 401 V CA -0.648 61.526 62.300 -0.209 0.000 0.831 401 V CB 0.297 32.031 31.823 -0.149 0.000 1.000 401 V HN 0.590 nan 8.190 nan 0.000 0.433 402 Y N 4.622 124.963 120.300 0.069 0.000 2.323 402 Y HA 0.704 5.273 4.550 0.032 0.000 0.331 402 Y C 0.543 176.536 175.900 0.156 0.000 1.092 402 Y CA -0.466 57.706 58.100 0.119 0.000 1.150 402 Y CB 1.262 39.748 38.460 0.044 0.000 1.200 402 Y HN 0.872 nan 8.280 nan 0.000 0.472 403 H N -1.225 117.902 119.070 0.094 0.000 3.046 403 H HA 0.791 5.366 4.556 0.032 0.000 0.361 403 H C -1.424 173.906 175.328 0.003 0.000 1.235 403 H CA -1.107 54.901 56.048 -0.067 0.000 1.146 403 H CB 1.977 31.693 29.762 -0.077 0.000 1.859 403 H HN 0.516 nan 8.280 nan 0.000 0.548 404 S N 0.832 116.431 115.700 -0.169 0.000 2.618 404 S HA 0.451 4.940 4.470 0.032 0.000 0.277 404 S C -1.582 173.077 174.600 0.098 0.000 1.138 404 S CA -0.648 57.526 58.200 -0.044 0.000 0.844 404 S CB 1.133 64.297 63.200 -0.060 0.000 1.127 404 S HN 0.561 nan 8.310 nan 0.000 0.474 405 Y N 1.284 121.584 120.300 -0.000 0.000 2.545 405 Y HA 0.754 5.324 4.550 0.032 0.000 0.324 405 Y C 0.014 175.937 175.900 0.039 0.000 1.220 405 Y CA -0.607 57.487 58.100 -0.009 0.000 1.290 405 Y CB 1.467 39.924 38.460 -0.006 0.000 1.355 405 Y HN 0.722 nan 8.280 nan 0.000 0.516 406 F N -1.485 118.544 119.950 0.132 0.000 2.744 406 F HA 0.448 4.994 4.527 0.032 0.000 0.311 406 F C -2.353 173.532 175.800 0.141 0.000 1.144 406 F CA -1.428 56.609 58.000 0.062 0.000 0.938 406 F CB 1.175 40.124 39.000 -0.085 0.000 1.292 406 F HN 0.441 nan 8.300 nan 0.000 0.444 407 W N 4.436 125.921 121.300 0.309 0.000 2.647 407 W HA 0.692 5.371 4.660 0.032 0.000 0.328 407 W C -3.055 173.440 176.519 -0.039 0.000 1.018 407 W CA -3.115 54.314 57.345 0.140 0.000 1.245 407 W CB 1.746 31.292 29.460 0.144 0.000 1.356 407 W HN 0.336 nan 8.180 nan 0.000 0.443 408 P HA -0.047 nan 4.420 nan 0.000 0.267 408 P C 1.007 178.000 177.300 -0.511 0.000 1.209 408 P CA -0.016 62.747 63.100 -0.562 0.000 0.763 408 P CB 0.815 31.823 31.700 -1.154 0.000 0.816 409 L N 4.503 125.529 121.223 -0.328 0.000 2.129 409 L HA -0.231 4.128 4.340 0.032 0.000 0.212 409 L C 1.493 178.258 176.870 -0.176 0.000 1.087 409 L CA 2.051 56.733 54.840 -0.262 0.000 0.757 409 L CB -0.750 41.231 42.059 -0.131 0.000 0.896 409 L HN 0.288 nan 8.230 nan 0.000 0.434 410 E N -1.434 118.728 120.200 -0.063 0.000 2.472 410 E HA -0.187 4.182 4.350 0.032 0.000 0.200 410 E C 1.429 178.270 176.600 0.403 0.000 1.046 410 E CA 0.893 57.411 56.400 0.197 0.000 0.871 410 E CB -0.310 29.524 29.700 0.223 0.000 0.806 410 E HN 0.605 nan 8.360 nan 0.000 0.533 411 W N 0.107 121.301 121.300 -0.177 0.000 2.996 411 W HA 0.119 4.799 4.660 0.032 0.000 0.270 411 W C 2.036 178.385 176.519 -0.282 0.000 1.280 411 W CA 0.805 58.065 57.345 -0.141 0.000 1.549 411 W CB -0.986 28.437 29.460 -0.062 0.000 1.079 411 W HN 0.142 nan 8.180 nan 0.000 0.629 412 T N -1.042 113.241 114.554 -0.452 0.000 2.595 412 T HA -0.269 4.100 4.350 0.032 0.000 0.264 412 T C 1.879 176.531 174.700 -0.081 0.000 1.058 412 T CA 1.746 63.499 62.100 -0.578 0.000 1.166 412 T CB -0.799 67.673 68.868 -0.661 0.000 0.863 412 T HN 0.063 nan 8.240 nan 0.000 0.415 413 I N 2.841 123.359 120.570 -0.087 0.000 2.151 413 I HA -0.110 4.079 4.170 0.032 0.000 0.243 413 I C -0.078 176.065 176.117 0.042 0.000 1.080 413 I CA 1.640 62.882 61.300 -0.097 0.000 1.339 413 I CB -1.272 36.475 38.000 -0.420 0.000 1.039 413 I HN 0.340 nan 8.210 nan 0.000 0.409 414 P HA -0.144 nan 4.420 nan 0.000 0.223 414 P C 0.417 177.814 177.300 0.162 0.000 1.151 414 P CA 1.028 64.234 63.100 0.175 0.000 0.787 414 P CB 0.023 31.842 31.700 0.198 0.000 0.788 415 S N 0.012 115.843 115.700 0.218 0.000 3.734 415 S HA -0.126 4.363 4.470 0.032 0.000 0.531 415 S C 0.027 174.810 174.600 0.304 0.000 0.757 415 S CA 0.506 58.892 58.200 0.310 0.000 1.388 415 S CB -1.425 61.900 63.200 0.207 0.000 0.878 415 S HN 0.691 nan 8.310 nan 0.000 0.735 416 R N 1.215 121.973 120.500 0.431 0.000 2.716 416 R HA 0.609 4.968 4.340 0.032 0.000 0.271 416 R C -1.105 175.480 176.300 0.475 0.000 1.028 416 R CA -0.445 55.840 56.100 0.308 0.000 0.883 416 R CB 0.155 30.524 30.300 0.115 0.000 1.250 416 R HN 0.119 nan 8.270 nan 0.000 0.465 417 D N 0.360 120.945 120.400 0.308 0.000 2.755 417 D HA -0.234 4.426 4.640 0.032 0.000 0.227 417 D C -0.884 175.694 176.300 0.463 0.000 1.211 417 D CA 1.256 55.470 54.000 0.356 0.000 0.663 417 D CB -1.031 39.954 40.800 0.309 0.000 0.983 417 D HN 0.613 nan 8.370 nan 0.000 0.407 418 N N 1.168 119.920 118.700 0.086 0.000 2.518 418 N HA 0.164 4.923 4.740 0.032 0.000 0.283 418 N C 0.351 175.743 175.510 -0.197 0.000 1.119 418 N CA -0.232 52.503 53.050 -0.524 0.000 0.983 418 N CB 0.514 38.214 38.487 -1.311 0.000 1.139 418 N HN 0.073 nan 8.380 nan 0.000 0.465 419 N N 1.128 119.781 118.700 -0.078 0.000 2.780 419 N HA -0.142 4.617 4.740 0.032 0.000 0.248 419 N C -0.343 175.357 175.510 0.318 0.000 1.102 419 N CA 0.457 53.608 53.050 0.167 0.000 0.697 419 N CB -0.441 38.023 38.487 -0.039 0.000 1.028 419 N HN 0.674 nan 8.380 nan 0.000 0.554 420 K N -0.721 119.815 120.400 0.227 0.000 2.273 420 K HA 0.249 4.588 4.320 0.032 0.000 0.206 420 K C 1.043 177.636 176.600 -0.013 0.000 1.072 420 K CA 0.406 56.803 56.287 0.184 0.000 0.953 420 K CB -0.271 32.432 32.500 0.339 0.000 1.043 420 K HN 0.251 nan 8.250 nan 0.000 0.477 421 C N 1.785 121.043 119.300 -0.069 0.000 2.775 421 C HA 0.153 4.632 4.460 0.032 0.000 0.391 421 C C 0.391 174.900 174.990 -0.802 0.000 1.295 421 C CA -0.044 58.675 59.018 -0.498 0.000 2.119 421 C CB -0.917 26.346 27.740 -0.795 0.000 2.705 421 C HN 0.480 nan 8.230 nan 0.000 0.710 422 Y N -0.194 119.443 120.300 -1.105 0.000 2.521 422 Y HA 0.554 5.123 4.550 0.032 0.000 0.326 422 Y C -0.440 175.107 175.900 -0.588 0.000 1.176 422 Y CA -0.168 57.384 58.100 -0.913 0.000 1.079 422 Y CB 0.368 38.341 38.460 -0.812 0.000 1.341 422 Y HN 0.942 nan 8.280 nan 0.000 0.456 423 A N 4.655 126.926 122.820 -0.915 0.000 2.347 423 A HA 0.977 5.316 4.320 0.032 0.000 0.301 423 A C -1.296 175.813 177.584 -0.792 0.000 1.163 423 A CA -0.496 51.157 52.037 -0.640 0.000 0.860 423 A CB 1.914 20.512 19.000 -0.669 0.000 1.367 423 A HN 0.875 nan 8.150 nan 0.000 0.461 424 K N -0.577 119.673 120.400 -0.250 0.000 2.712 424 K HA 0.446 4.785 4.320 0.032 0.000 0.274 424 K C -2.075 174.455 176.600 -0.116 0.000 1.025 424 K CA -0.481 55.675 56.287 -0.219 0.000 0.904 424 K CB 0.781 33.036 32.500 -0.408 0.000 1.392 424 K HN 1.261 nan 8.250 nan 0.000 0.392 425 I N 1.056 121.613 120.570 -0.021 0.000 2.722 425 I HA 0.574 4.763 4.170 0.032 0.000 0.295 425 I C -0.985 175.168 176.117 0.059 0.000 1.161 425 I CA -1.238 60.051 61.300 -0.019 0.000 1.032 425 I CB 1.848 39.818 38.000 -0.051 0.000 1.244 425 I HN 0.374 nan 8.210 nan 0.000 0.421 426 I N 4.410 125.013 120.570 0.055 0.000 2.339 426 I HA 0.467 4.657 4.170 0.032 0.000 0.290 426 I C -0.262 175.867 176.117 0.019 0.000 0.994 426 I CA -0.453 60.864 61.300 0.028 0.000 1.191 426 I CB 1.039 39.069 38.000 0.050 0.000 1.343 426 I HN 0.701 nan 8.210 nan 0.000 0.458 427 C N 4.281 123.572 119.300 -0.016 0.000 2.561 427 C HA 0.403 4.882 4.460 0.032 0.000 0.319 427 C C 0.671 175.576 174.990 -0.142 0.000 1.198 427 C CA -1.033 57.963 59.018 -0.037 0.000 1.665 427 C CB 1.384 29.164 27.740 0.065 0.000 2.258 427 C HN 0.834 nan 8.230 nan 0.000 0.493 428 N N 1.187 119.749 118.700 -0.229 0.000 2.558 428 N HA 0.092 4.851 4.740 0.032 0.000 0.233 428 N C 0.868 176.267 175.510 -0.185 0.000 1.038 428 N CA -0.189 52.642 53.050 -0.365 0.000 0.934 428 N CB 0.738 38.809 38.487 -0.694 0.000 1.175 428 N HN 0.706 nan 8.380 nan 0.000 0.512 429 T N 2.406 116.888 114.554 -0.121 0.000 2.778 429 T HA -0.130 4.239 4.350 0.032 0.000 0.269 429 T C 1.261 175.937 174.700 -0.040 0.000 1.050 429 T CA 1.282 63.348 62.100 -0.056 0.000 1.137 429 T CB 0.016 68.859 68.868 -0.042 0.000 0.860 429 T HN 0.462 nan 8.240 nan 0.000 0.468 430 K N 1.215 121.585 120.400 -0.050 0.000 2.525 430 K HA 0.117 4.457 4.320 0.032 0.000 0.192 430 K C 0.441 177.034 176.600 -0.013 0.000 1.029 430 K CA 0.249 56.529 56.287 -0.013 0.000 1.029 430 K CB 0.042 32.553 32.500 0.019 0.000 0.814 430 K HN 0.218 nan 8.250 nan 0.000 0.503 431 D N -0.009 120.365 120.400 -0.043 0.000 2.879 431 D HA 0.167 4.827 4.640 0.032 0.000 0.351 431 D C -1.074 175.214 176.300 -0.019 0.000 1.239 431 D CA -0.289 53.695 54.000 -0.026 0.000 0.771 431 D CB -0.871 39.906 40.800 -0.039 0.000 1.176 431 D HN 0.096 nan 8.370 nan 0.000 0.496 432 N N 1.614 120.311 118.700 -0.004 0.000 2.735 432 N HA -0.222 4.538 4.740 0.032 0.000 0.248 432 N C -0.556 174.959 175.510 0.010 0.000 1.083 432 N CA 0.706 53.760 53.050 0.007 0.000 0.703 432 N CB -0.565 37.928 38.487 0.011 0.000 1.005 432 N HN 0.443 nan 8.380 nan 0.000 0.550 433 E N -1.257 118.944 120.200 0.002 0.000 2.494 433 E HA -0.312 4.057 4.350 0.032 0.000 0.249 433 E C 0.207 176.817 176.600 0.016 0.000 1.184 433 E CA 0.619 57.031 56.400 0.021 0.000 0.727 433 E CB -0.504 29.243 29.700 0.079 0.000 1.281 433 E HN 0.426 nan 8.360 nan 0.000 0.405 434 R N -0.297 120.190 120.500 -0.021 0.000 2.697 434 R HA 0.035 4.394 4.340 0.032 0.000 0.265 434 R C -0.137 176.158 176.300 -0.009 0.000 1.009 434 R CA 0.309 56.401 56.100 -0.013 0.000 1.099 434 R CB 0.594 30.876 30.300 -0.030 0.000 0.965 434 R HN -0.021 nan 8.270 nan 0.000 0.428 435 V N 5.471 125.399 119.914 0.023 0.000 2.372 435 V HA 0.062 4.201 4.120 0.032 0.000 0.261 435 V C 1.066 177.186 176.094 0.043 0.000 1.055 435 V CA -0.230 62.094 62.300 0.040 0.000 0.930 435 V CB 0.819 32.677 31.823 0.058 0.000 1.031 435 V HN 0.775 nan 8.190 nan 0.000 0.479 436 V N 1.377 121.313 119.914 0.037 0.000 3.644 436 V HA 0.638 4.777 4.120 0.032 0.000 0.267 436 V C 0.837 177.007 176.094 0.125 0.000 1.277 436 V CA 0.698 63.041 62.300 0.073 0.000 1.096 436 V CB 0.151 31.998 31.823 0.041 0.000 0.828 436 V HN 0.862 nan 8.190 nan 0.000 0.446 437 G N -0.017 108.862 108.800 0.131 0.000 2.753 437 G HA2 0.571 4.551 3.960 0.032 0.000 0.295 437 G HA3 0.571 4.551 3.960 0.032 0.000 0.295 437 G C -2.001 173.015 174.900 0.192 0.000 1.437 437 G CA -0.500 44.720 45.100 0.201 0.000 1.094 437 G HN 0.164 nan 8.290 nan 0.000 0.540 438 F N 3.209 123.132 119.950 -0.045 0.000 2.493 438 F HA 0.677 5.223 4.527 0.032 0.000 0.329 438 F C -0.697 174.975 175.800 -0.214 0.000 1.126 438 F CA -0.793 57.093 58.000 -0.190 0.000 0.937 438 F CB 1.543 40.346 39.000 -0.329 0.000 1.146 438 F HN 0.474 nan 8.300 nan 0.000 0.442 439 H N 5.326 124.077 119.070 -0.532 0.000 2.877 439 H HA 0.600 5.175 4.556 0.032 0.000 0.347 439 H C -1.514 173.674 175.328 -0.234 0.000 1.042 439 H CA -0.808 55.158 56.048 -0.136 0.000 1.276 439 H CB 2.284 31.988 29.762 -0.098 0.000 1.681 439 H HN 0.563 nan 8.280 nan 0.000 0.521 440 V N 5.441 125.448 119.914 0.156 0.000 2.760 440 V HA 0.441 4.580 4.120 0.032 0.000 0.309 440 V C -1.365 174.794 176.094 0.109 0.000 1.077 440 V CA -0.754 61.665 62.300 0.198 0.000 0.910 440 V CB 2.300 34.446 31.823 0.538 0.000 1.008 440 V HN 0.634 nan 8.190 nan 0.000 0.424 441 L N 7.255 128.452 121.223 -0.044 0.000 2.345 441 L HA 1.007 5.367 4.340 0.032 0.000 0.274 441 L C -0.174 176.658 176.870 -0.063 0.000 0.999 441 L CA 0.692 55.489 54.840 -0.073 0.000 0.849 441 L CB 0.912 42.855 42.059 -0.193 0.000 1.220 441 L HN 0.986 nan 8.230 nan 0.000 0.422 442 G N 3.922 112.775 108.800 0.087 0.000 2.441 442 G HA2 0.334 4.313 3.960 0.032 0.000 0.294 442 G HA3 0.334 4.313 3.960 0.032 0.000 0.294 442 G C -3.430 171.592 174.900 0.202 0.000 1.393 442 G CA -0.722 44.477 45.100 0.166 0.000 0.796 442 G HN 0.352 nan 8.290 nan 0.000 0.494 443 P HA 0.130 nan 4.420 nan 0.000 0.272 443 P C 0.031 177.426 177.300 0.159 0.000 1.240 443 P CA 0.082 63.315 63.100 0.223 0.000 0.791 443 P CB 0.499 32.367 31.700 0.281 0.000 0.978 444 N N -0.837 117.954 118.700 0.152 0.000 2.710 444 N HA -0.242 4.518 4.740 0.032 0.000 0.249 444 N C 1.241 176.823 175.510 0.119 0.000 1.059 444 N CA 0.941 54.069 53.050 0.129 0.000 0.720 444 N CB -1.218 37.328 38.487 0.098 0.000 0.983 444 N HN 0.573 nan 8.380 nan 0.000 0.544 445 A N -0.117 122.762 122.820 0.098 0.000 1.940 445 A HA -0.039 4.300 4.320 0.032 0.000 0.219 445 A C 2.284 179.913 177.584 0.074 0.000 1.176 445 A CA 2.145 54.247 52.037 0.108 0.000 0.631 445 A CB -0.674 18.358 19.000 0.053 0.000 0.814 445 A HN 0.509 nan 8.150 nan 0.000 0.446 446 G N -0.415 108.393 108.800 0.013 0.000 2.402 446 G HA2 -0.166 3.814 3.960 0.032 0.000 0.216 446 G HA3 -0.166 3.814 3.960 0.032 0.000 0.216 446 G C 1.352 176.290 174.900 0.062 0.000 1.162 446 G CA 0.924 46.048 45.100 0.040 0.000 0.777 446 G HN 0.505 nan 8.290 nan 0.000 0.539 447 E N 0.664 120.913 120.200 0.082 0.000 2.077 447 E HA -0.097 4.272 4.350 0.032 0.000 0.193 447 E C 2.864 179.496 176.600 0.054 0.000 0.989 447 E CA 0.902 57.335 56.400 0.056 0.000 0.800 447 E CB -0.729 29.007 29.700 0.059 0.000 0.746 447 E HN 0.340 nan 8.360 nan 0.000 0.452 448 V N 1.583 121.568 119.914 0.119 0.000 2.343 448 V HA -0.233 3.906 4.120 0.032 0.000 0.247 448 V C 2.376 178.603 176.094 0.222 0.000 1.051 448 V CA 2.222 64.654 62.300 0.222 0.000 1.036 448 V CB -1.020 31.024 31.823 0.369 0.000 0.654 448 V HN 0.275 nan 8.190 nan 0.000 0.451 449 T N -1.110 113.501 114.554 0.095 0.000 2.732 449 T HA -0.217 4.152 4.350 0.032 0.000 0.261 449 T C 1.790 176.370 174.700 -0.199 0.000 1.040 449 T CA 1.462 63.458 62.100 -0.172 0.000 1.145 449 T CB -0.305 68.459 68.868 -0.174 0.000 0.866 449 T HN 0.378 nan 8.240 nan 0.000 0.427 450 Q N 1.434 121.164 119.800 -0.117 0.000 2.001 450 Q HA -0.244 4.115 4.340 0.032 0.000 0.222 450 Q C 2.368 178.269 176.000 -0.165 0.000 1.063 450 Q CA 2.704 58.436 55.803 -0.119 0.000 0.911 450 Q CB -1.380 27.310 28.738 -0.079 0.000 1.041 450 Q HN 0.524 nan 8.270 nan 0.000 0.433 451 G N -1.437 107.237 108.800 -0.209 0.000 2.503 451 G HA2 -0.267 3.713 3.960 0.032 0.000 0.221 451 G HA3 -0.267 3.713 3.960 0.032 0.000 0.221 451 G C 1.212 175.926 174.900 -0.310 0.000 1.131 451 G CA 1.082 46.012 45.100 -0.283 0.000 0.756 451 G HN 0.394 nan 8.290 nan 0.000 0.572 452 F N 1.625 121.393 119.950 -0.304 0.000 2.234 452 F HA 0.109 4.655 4.527 0.032 0.000 0.299 452 F C 2.976 178.592 175.800 -0.306 0.000 1.087 452 F CA 0.627 58.413 58.000 -0.357 0.000 1.340 452 F CB -0.479 38.073 39.000 -0.746 0.000 1.031 452 F HN 0.244 nan 8.300 nan 0.000 0.500 453 A N 0.018 122.746 122.820 -0.152 0.000 1.933 453 A HA -0.089 4.250 4.320 0.032 0.000 0.218 453 A C 2.401 179.945 177.584 -0.066 0.000 1.175 453 A CA 1.737 53.705 52.037 -0.115 0.000 0.628 453 A CB -1.237 17.687 19.000 -0.127 0.000 0.814 453 A HN 0.289 nan 8.150 nan 0.000 0.444 454 A N -0.482 122.289 122.820 -0.081 0.000 2.067 454 A HA 0.279 4.618 4.320 0.032 0.000 0.219 454 A C 2.363 179.923 177.584 -0.040 0.000 1.158 454 A CA 1.643 53.642 52.037 -0.063 0.000 0.661 454 A CB -0.710 18.241 19.000 -0.081 0.000 0.801 454 A HN 0.933 nan 8.150 nan 0.000 0.452 455 A N 0.220 123.023 122.820 -0.029 0.000 1.873 455 A HA -0.013 4.326 4.320 0.032 0.000 0.215 455 A C 2.059 179.659 177.584 0.027 0.000 1.186 455 A CA 1.338 53.382 52.037 0.012 0.000 0.616 455 A CB -0.578 18.471 19.000 0.081 0.000 0.823 455 A HN 0.455 nan 8.150 nan 0.000 0.442 456 L N -0.694 120.547 121.223 0.029 0.000 2.079 456 L HA -0.183 4.177 4.340 0.032 0.000 0.210 456 L C 2.090 178.973 176.870 0.023 0.000 1.081 456 L CA 1.258 56.118 54.840 0.033 0.000 0.752 456 L CB -0.711 41.367 42.059 0.032 0.000 0.896 456 L HN 0.251 nan 8.230 nan 0.000 0.433 457 K N 0.454 120.858 120.400 0.008 0.000 2.519 457 K HA -0.113 4.226 4.320 0.032 0.000 0.196 457 K C 1.566 178.172 176.600 0.009 0.000 1.041 457 K CA 1.039 57.329 56.287 0.006 0.000 0.954 457 K CB -0.507 31.989 32.500 -0.007 0.000 0.774 457 K HN 0.600 nan 8.250 nan 0.000 0.480 458 C N -2.241 117.066 119.300 0.012 0.000 2.994 458 C HA 0.532 5.011 4.460 0.032 0.000 0.284 458 C C 1.045 176.048 174.990 0.021 0.000 1.404 458 C CA -0.312 58.714 59.018 0.013 0.000 1.775 458 C CB -0.801 26.943 27.740 0.006 0.000 2.458 458 C HN 0.451 nan 8.230 nan 0.000 0.593 459 G N 1.709 110.526 108.800 0.028 0.000 2.298 459 G HA2 -0.200 3.780 3.960 0.032 0.000 0.287 459 G HA3 -0.200 3.780 3.960 0.032 0.000 0.287 459 G C -0.301 174.620 174.900 0.034 0.000 1.075 459 G CA 0.363 45.482 45.100 0.032 0.000 0.960 459 G HN 1.016 nan 8.290 nan 0.000 0.502 460 L N 1.285 122.534 121.223 0.043 0.000 2.483 460 L HA 0.677 5.036 4.340 0.032 0.000 0.276 460 L C 1.025 177.923 176.870 0.047 0.000 1.213 460 L CA 1.157 56.028 54.840 0.052 0.000 0.843 460 L CB 0.837 42.944 42.059 0.080 0.000 1.107 460 L HN 0.719 nan 8.230 nan 0.000 0.487 461 T N 0.382 114.962 114.554 0.043 0.000 2.906 461 T HA 0.345 4.714 4.350 0.032 0.000 0.295 461 T C 0.589 175.310 174.700 0.035 0.000 1.075 461 T CA -0.547 61.574 62.100 0.035 0.000 1.005 461 T CB 1.473 70.358 68.868 0.027 0.000 1.136 461 T HN 0.642 nan 8.240 nan 0.000 0.498 462 K N 0.913 121.334 120.400 0.036 0.000 2.211 462 K HA -0.022 4.317 4.320 0.032 0.000 0.204 462 K C 2.050 178.642 176.600 -0.013 0.000 1.047 462 K CA 1.470 57.762 56.287 0.008 0.000 0.935 462 K CB -0.173 32.342 32.500 0.026 0.000 0.728 462 K HN 0.631 nan 8.250 nan 0.000 0.452 463 K N 0.121 120.525 120.400 0.007 0.000 1.984 463 K HA -0.158 4.181 4.320 0.032 0.000 0.209 463 K C 2.230 178.835 176.600 0.008 0.000 1.046 463 K CA 1.908 58.197 56.287 0.004 0.000 0.934 463 K CB -0.046 32.462 32.500 0.012 0.000 0.717 463 K HN 0.222 nan 8.250 nan 0.000 0.438 464 Q N 0.450 120.261 119.800 0.019 0.000 2.112 464 Q HA -0.212 4.147 4.340 0.032 0.000 0.206 464 Q C 2.062 178.086 176.000 0.039 0.000 0.987 464 Q CA 1.409 57.229 55.803 0.028 0.000 0.858 464 Q CB -0.177 28.580 28.738 0.033 0.000 0.905 464 Q HN 0.193 nan 8.270 nan 0.000 0.420 465 L N 1.168 122.419 121.223 0.046 0.000 2.046 465 L HA -0.177 4.182 4.340 0.032 0.000 0.208 465 L C 1.167 178.065 176.870 0.048 0.000 1.077 465 L CA 2.039 56.923 54.840 0.074 0.000 0.747 465 L CB -0.568 41.532 42.059 0.068 0.000 0.896 465 L HN 0.077 nan 8.230 nan 0.000 0.432 466 D N -1.010 119.393 120.400 0.005 0.000 2.178 466 D HA -0.158 4.501 4.640 0.032 0.000 0.201 466 D C 2.348 178.651 176.300 0.006 0.000 0.980 466 D CA 1.346 55.339 54.000 -0.011 0.000 0.842 466 D CB -0.109 40.666 40.800 -0.041 0.000 0.948 466 D HN 0.528 nan 8.370 nan 0.000 0.472 467 S N -0.968 114.740 115.700 0.013 0.000 2.561 467 S HA -0.010 4.479 4.470 0.032 0.000 0.225 467 S C 0.853 175.466 174.600 0.022 0.000 0.977 467 S CA 0.069 58.278 58.200 0.015 0.000 0.926 467 S CB -0.170 63.038 63.200 0.014 0.000 0.769 467 S HN -0.060 nan 8.310 nan 0.000 0.533 468 T N 3.672 118.247 114.554 0.035 0.000 2.856 468 T HA 0.442 4.811 4.350 0.032 0.000 0.292 468 T C -0.133 174.590 174.700 0.039 0.000 0.980 468 T CA -0.433 61.692 62.100 0.041 0.000 1.091 468 T CB 0.610 69.521 68.868 0.072 0.000 0.936 468 T HN 0.171 nan 8.240 nan 0.000 0.503 469 I N 2.968 123.555 120.570 0.029 0.000 2.396 469 I HA 0.331 4.520 4.170 0.032 0.000 0.292 469 I C 1.301 177.439 176.117 0.034 0.000 0.999 469 I CA -0.416 60.901 61.300 0.028 0.000 1.310 469 I CB 0.924 38.936 38.000 0.020 0.000 1.404 469 I HN 0.671 nan 8.210 nan 0.000 0.496 470 G N 6.395 115.217 108.800 0.036 0.000 2.651 470 G HA2 0.476 4.456 3.960 0.032 0.000 0.260 470 G HA3 0.476 4.456 3.960 0.032 0.000 0.260 470 G C -0.154 174.763 174.900 0.028 0.000 1.216 470 G CA -0.558 44.562 45.100 0.032 0.000 0.913 470 G HN 0.527 nan 8.290 nan 0.000 0.535 471 I N -0.288 120.290 120.570 0.015 0.000 2.392 471 I HA 0.276 4.465 4.170 0.032 0.000 0.295 471 I C -0.311 175.826 176.117 0.034 0.000 0.985 471 I CA -0.526 60.788 61.300 0.024 0.000 1.221 471 I CB 1.702 39.705 38.000 0.004 0.000 1.366 471 I HN 0.555 nan 8.210 nan 0.000 0.467 472 H N 6.628 125.680 119.070 -0.029 0.000 2.529 472 H HA 0.488 5.063 4.556 0.032 0.000 0.348 472 H C -2.336 172.972 175.328 -0.034 0.000 1.079 472 H CA -1.744 54.282 56.048 -0.036 0.000 1.198 472 H CB 1.967 31.712 29.762 -0.028 0.000 1.521 472 H HN 0.391 nan 8.280 nan 0.000 0.514 473 P HA 0.204 nan 4.420 nan 0.000 0.285 473 P C -1.419 175.817 177.300 -0.107 0.000 1.448 473 P CA -0.433 62.665 63.100 -0.003 0.000 0.953 473 P CB 1.221 33.003 31.700 0.137 0.000 1.175 474 V N 2.563 122.371 119.914 -0.176 0.000 2.735 474 V HA 0.124 4.263 4.120 0.032 0.000 0.310 474 V C 1.537 177.474 176.094 -0.262 0.000 1.061 474 V CA -0.602 61.605 62.300 -0.156 0.000 0.913 474 V CB 1.470 33.245 31.823 -0.081 0.000 1.005 474 V HN 0.580 nan 8.190 nan 0.000 0.428 475 C N 2.403 121.519 119.300 -0.306 0.000 2.413 475 C HA -0.170 4.309 4.460 0.032 0.000 0.276 475 C C 2.918 177.608 174.990 -0.500 0.000 1.236 475 C CA 1.767 60.450 59.018 -0.558 0.000 1.735 475 C CB -1.081 26.369 27.740 -0.484 0.000 2.031 475 C HN 1.073 nan 8.230 nan 0.000 0.474 476 A N 1.270 123.988 122.820 -0.170 0.000 1.927 476 A HA -0.305 4.034 4.320 0.032 0.000 0.220 476 A C 2.050 179.677 177.584 0.072 0.000 1.185 476 A CA 2.295 54.382 52.037 0.083 0.000 0.639 476 A CB -0.934 18.177 19.000 0.185 0.000 0.820 476 A HN 0.852 nan 8.150 nan 0.000 0.451 477 E N 0.050 120.218 120.200 -0.053 0.000 2.284 477 E HA -0.168 4.201 4.350 0.032 0.000 0.200 477 E C 1.423 177.961 176.600 -0.104 0.000 1.008 477 E CA 1.458 57.834 56.400 -0.040 0.000 0.829 477 E CB -0.647 28.989 29.700 -0.106 0.000 0.744 477 E HN 0.317 nan 8.360 nan 0.000 0.491 478 V N 0.458 120.196 119.914 -0.293 0.000 2.546 478 V HA -0.241 3.898 4.120 0.032 0.000 0.254 478 V C 1.615 177.511 176.094 -0.330 0.000 1.076 478 V CA 1.712 63.797 62.300 -0.359 0.000 1.087 478 V CB -0.741 30.790 31.823 -0.486 0.000 0.674 478 V HN 0.312 nan 8.190 nan 0.000 0.470 479 F N -0.580 119.347 119.950 -0.037 0.000 2.780 479 F HA 0.022 4.568 4.527 0.032 0.000 0.299 479 F C 2.303 178.093 175.800 -0.017 0.000 1.146 479 F CA 0.977 58.931 58.000 -0.078 0.000 1.428 479 F CB -0.784 38.104 39.000 -0.187 0.000 1.115 479 F HN 0.004 nan 8.300 nan 0.000 0.583 480 T N -1.025 113.610 114.554 0.136 0.000 3.088 480 T HA -0.012 4.358 4.350 0.032 0.000 0.259 480 T C 0.764 175.473 174.700 0.017 0.000 1.122 480 T CA 1.250 63.407 62.100 0.095 0.000 1.095 480 T CB -0.281 68.640 68.868 0.087 0.000 0.930 480 T HN 0.240 nan 8.240 nan 0.000 0.508 481 T N 0.450 114.992 114.554 -0.021 0.000 3.298 481 T HA 0.523 4.892 4.350 0.032 0.000 0.318 481 T C -0.752 173.905 174.700 -0.073 0.000 1.165 481 T CA -0.631 61.440 62.100 -0.048 0.000 1.557 481 T CB -0.350 68.497 68.868 -0.035 0.000 0.898 481 T HN 0.048 nan 8.240 nan 0.000 0.585 482 L N 2.732 123.889 121.223 -0.110 0.000 2.276 482 L HA 0.562 4.921 4.340 0.032 0.000 0.286 482 L C 1.320 178.104 176.870 -0.144 0.000 1.024 482 L CA -0.562 54.211 54.840 -0.112 0.000 0.826 482 L CB 1.836 43.834 42.059 -0.102 0.000 1.211 482 L HN 0.713 nan 8.230 nan 0.000 0.422 483 S N 2.540 118.215 115.700 -0.042 0.000 2.499 483 S HA 0.149 4.639 4.470 0.032 0.000 0.225 483 S C 0.629 175.303 174.600 0.125 0.000 1.050 483 S CA -0.098 58.108 58.200 0.009 0.000 0.928 483 S CB 0.490 63.690 63.200 0.000 0.000 0.803 483 S HN 0.248 nan 8.310 nan 0.000 0.506 484 V N 3.164 123.139 119.914 0.102 0.000 2.732 484 V HA 0.503 4.642 4.120 0.032 0.000 0.297 484 V C 0.760 176.987 176.094 0.222 0.000 1.060 484 V CA 0.238 62.601 62.300 0.104 0.000 1.038 484 V CB 1.223 33.027 31.823 -0.033 0.000 1.003 484 V HN 0.728 nan 8.190 nan 0.000 0.481 485 T N 1.392 116.037 114.554 0.151 0.000 2.926 485 T HA 0.447 4.817 4.350 0.032 0.000 0.289 485 T C 0.574 175.366 174.700 0.152 0.000 1.054 485 T CA -0.790 61.353 62.100 0.072 0.000 1.015 485 T CB 1.909 70.691 68.868 -0.144 0.000 1.167 485 T HN 0.427 nan 8.240 nan 0.000 0.526 486 K N -0.091 120.354 120.400 0.075 0.000 2.186 486 K HA 0.112 4.451 4.320 0.032 0.000 0.202 486 K C 2.316 178.923 176.600 0.011 0.000 1.052 486 K CA 0.481 56.797 56.287 0.049 0.000 0.965 486 K CB -0.163 32.269 32.500 -0.114 0.000 0.746 486 K HN 0.632 nan 8.250 nan 0.000 0.457 487 R N 1.073 121.555 120.500 -0.030 0.000 2.092 487 R HA -0.103 4.256 4.340 0.032 0.000 0.231 487 R C 2.398 178.693 176.300 -0.009 0.000 1.119 487 R CA 1.788 57.870 56.100 -0.030 0.000 0.970 487 R CB -0.084 30.183 30.300 -0.055 0.000 0.864 487 R HN 0.168 nan 8.270 nan 0.000 0.440 488 S N -0.897 114.804 115.700 0.001 0.000 2.382 488 S HA -0.034 4.456 4.470 0.032 0.000 0.228 488 S C 1.421 176.033 174.600 0.021 0.000 1.027 488 S CA 1.241 59.449 58.200 0.013 0.000 0.991 488 S CB -0.228 62.988 63.200 0.026 0.000 0.823 488 S HN 0.607 nan 8.310 nan 0.000 0.469 489 G N 0.884 109.706 108.800 0.037 0.000 2.137 489 G HA2 0.016 3.995 3.960 0.032 0.000 0.237 489 G HA3 0.016 3.995 3.960 0.032 0.000 0.237 489 G C 0.250 175.171 174.900 0.036 0.000 1.002 489 G CA 0.263 45.386 45.100 0.039 0.000 0.702 489 G HN 1.214 nan 8.290 nan 0.000 0.515 490 A N -0.508 122.335 122.820 0.039 0.000 2.250 490 A HA 0.890 5.230 4.320 0.032 0.000 0.283 490 A C 0.939 178.534 177.584 0.017 0.000 1.206 490 A CA 0.788 52.837 52.037 0.019 0.000 0.840 490 A CB 0.607 19.614 19.000 0.013 0.000 1.220 490 A HN 1.025 nan 8.150 nan 0.000 0.505 491 S N -1.501 114.193 115.700 -0.010 0.000 2.747 491 S HA 0.677 5.166 4.470 0.032 0.000 0.300 491 S C -0.354 174.208 174.600 -0.062 0.000 1.121 491 S CA -0.282 57.899 58.200 -0.030 0.000 0.995 491 S CB 0.838 64.010 63.200 -0.047 0.000 1.113 491 S HN 0.467 nan 8.310 nan 0.000 0.547 492 I N 1.821 122.327 120.570 -0.107 0.000 2.933 492 I HA 0.324 4.513 4.170 0.032 0.000 0.306 492 I C -1.116 174.838 176.117 -0.272 0.000 1.516 492 I CA 0.176 61.388 61.300 -0.147 0.000 0.819 492 I CB 0.002 37.942 38.000 -0.100 0.000 2.085 492 I HN 0.193 nan 8.210 nan 0.000 0.621 493 L N 0.000 121.093 121.223 -0.216 0.000 2.949 493 L HA 0.000 4.359 4.340 0.032 0.000 0.249 493 L CA 0.000 54.691 54.840 -0.249 0.000 0.813 493 L CB 0.000 41.924 42.059 -0.225 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502