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 3c25_1_B DATA FIRST_RESID 12 DATA SEQUENCE ANFIAEFFGH RVYPEVVSTE AARNDQATGT CPFLTAAKLV ETSCVKAETS DATA SEQUENCE RGVCVVNTAV DNERYDWLVC PNRALDPLFM SAASRKLFGY GPTEPLQFIA DATA SEQUENCE APTLADQAVR DGIREWLDRG VHVVAYFQEK LGGELSISKT DSSPEFSFDW DATA SEQUENCE TLAEVESIYP VPKIKRYGVL EIQTMDFHGS YKHAVGAIDI ALVEGIDFHG DATA SEQUENCE WLPTPAGRAA LSKKMEGPNL SNVFKRTFYQ MAYKFALSGH QRCAGTGFAI DATA SEQUENCE PQSVWKSWLR HLANPTLIDN GDGTFSLGDT RNDSENAWIF VFELDPDTDA DATA SEQUENCE SPRPLAPHLE IRVNVDTLID LALRESPRAA LGPSGPVATF TDKVEARMLR DATA SEQUENCE FWP 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 12 A HA 0.000 nan 4.320 nan 0.000 0.244 12 A C 0.000 177.425 177.584 -0.264 0.000 1.274 12 A CA 0.000 51.925 52.037 -0.187 0.000 0.836 12 A CB 0.000 18.942 19.000 -0.097 0.000 0.831 13 N N 0.100 118.503 118.700 -0.494 0.000 2.342 13 N HA 0.712 5.483 4.740 0.051 0.000 0.293 13 N C -1.696 173.436 175.510 -0.631 0.000 1.026 13 N CA 0.211 53.077 53.050 -0.306 0.000 0.857 13 N CB 1.390 39.840 38.487 -0.060 0.000 1.256 13 N HN 0.249 nan 8.380 nan 0.000 0.484 14 F N 0.506 120.308 119.950 -0.245 0.000 2.563 14 F HA 0.514 5.071 4.527 0.050 0.000 0.316 14 F C 0.766 176.444 175.800 -0.204 0.000 1.076 14 F CA -0.953 56.842 58.000 -0.342 0.000 0.921 14 F CB 1.475 39.955 39.000 -0.867 0.000 1.209 14 F HN 0.181 nan 8.300 nan 0.000 0.462 15 I N 2.641 123.215 120.570 0.006 0.000 2.664 15 I HA 0.026 4.227 4.170 0.051 0.000 0.284 15 I C 1.032 177.220 176.117 0.119 0.000 1.154 15 I CA 0.292 61.576 61.300 -0.026 0.000 1.402 15 I CB 0.791 38.759 38.000 -0.053 0.000 1.395 15 I HN 0.893 nan 8.210 nan 0.000 0.545 16 A N 6.466 129.363 122.820 0.127 0.000 1.935 16 A HA 0.001 4.351 4.320 0.051 0.000 0.214 16 A C 0.750 178.447 177.584 0.189 0.000 1.178 16 A CA 0.804 52.966 52.037 0.209 0.000 0.640 16 A CB 0.011 19.129 19.000 0.196 0.000 0.825 16 A HN 0.800 nan 8.150 nan 0.000 0.447 17 E N -2.280 118.021 120.200 0.169 0.000 2.366 17 E HA 0.552 4.933 4.350 0.051 0.000 0.278 17 E C -1.775 174.982 176.600 0.262 0.000 0.923 17 E CA -0.802 55.729 56.400 0.218 0.000 0.761 17 E CB 1.056 30.873 29.700 0.195 0.000 1.231 17 E HN 0.133 nan 8.360 nan 0.000 0.443 18 F N 3.486 123.511 119.950 0.126 0.000 2.427 18 F HA 0.382 4.941 4.527 0.054 0.000 0.348 18 F C -0.628 175.292 175.800 0.199 0.000 1.125 18 F CA -0.935 57.116 58.000 0.084 0.000 0.989 18 F CB 0.630 39.757 39.000 0.211 0.000 1.165 18 F HN 0.686 nan 8.300 nan 0.000 0.442 19 F N 4.195 124.014 119.950 -0.219 0.000 3.067 19 F HA -0.199 4.357 4.527 0.048 0.000 0.279 19 F C 1.259 176.921 175.800 -0.229 0.000 0.945 19 F CA 1.041 58.907 58.000 -0.222 0.000 0.948 19 F CB -1.508 37.308 39.000 -0.307 0.000 0.898 19 F HN 0.880 nan 8.300 nan 0.000 0.746 20 G N -1.365 107.430 108.800 -0.008 0.000 2.179 20 G HA2 -0.301 3.689 3.960 0.051 0.000 0.260 20 G HA3 -0.301 3.689 3.960 0.051 0.000 0.260 20 G C -0.075 174.646 174.900 -0.298 0.000 0.977 20 G CA 0.190 45.223 45.100 -0.112 0.000 0.641 20 G HN 0.743 nan 8.290 nan 0.000 0.533 21 H N -0.192 119.013 119.070 0.225 0.000 2.547 21 H HA 0.452 5.040 4.556 0.053 0.000 0.342 21 H C 0.517 175.986 175.328 0.234 0.000 1.048 21 H CA -0.859 55.320 56.048 0.218 0.000 1.204 21 H CB 1.240 31.139 29.762 0.229 0.000 1.493 21 H HN 0.279 nan 8.280 nan 0.000 0.511 22 R N 1.684 122.359 120.500 0.291 0.000 2.585 22 R HA 0.064 4.435 4.340 0.051 0.000 0.275 22 R C 0.768 177.193 176.300 0.209 0.000 1.018 22 R CA 0.314 56.541 56.100 0.211 0.000 1.072 22 R CB 0.411 30.797 30.300 0.144 0.000 0.953 22 R HN 0.572 nan 8.270 nan 0.000 0.419 23 V N 1.511 121.535 119.914 0.182 0.000 3.368 23 V HA 0.035 4.186 4.120 0.051 0.000 0.255 23 V C 1.182 177.339 176.094 0.105 0.000 1.466 23 V CA -0.163 62.224 62.300 0.145 0.000 1.095 23 V CB -0.780 31.145 31.823 0.171 0.000 0.899 23 V HN 0.809 nan 8.190 nan 0.000 0.440 24 Y N 3.190 123.485 120.300 -0.008 0.000 2.170 24 Y HA 0.319 4.899 4.550 0.050 0.000 0.280 24 Y C -0.130 175.678 175.900 -0.152 0.000 1.097 24 Y CA 1.500 59.536 58.100 -0.107 0.000 1.087 24 Y CB -1.580 36.821 38.460 -0.098 0.000 1.016 24 Y HN 0.224 nan 8.280 nan 0.000 0.485 25 P HA 0.072 nan 4.420 nan 0.000 0.215 25 P C -0.501 176.568 177.300 -0.384 0.000 1.157 25 P CA 2.406 65.070 63.100 -0.727 0.000 0.863 25 P CB -0.127 31.341 31.700 -0.387 0.000 0.787 26 E N -0.912 119.170 120.200 -0.196 0.000 2.308 26 E HA 0.502 4.882 4.350 0.051 0.000 0.275 26 E C -1.258 175.328 176.600 -0.023 0.000 0.890 26 E CA -0.777 55.560 56.400 -0.105 0.000 0.754 26 E CB 1.474 31.132 29.700 -0.070 0.000 1.207 26 E HN -0.187 nan 8.360 nan 0.000 0.426 27 V N 1.972 121.888 119.914 0.002 0.000 2.368 27 V HA 0.556 4.706 4.120 0.051 0.000 0.266 27 V C 0.871 177.039 176.094 0.123 0.000 1.045 27 V CA -0.255 62.095 62.300 0.083 0.000 0.899 27 V CB 0.629 32.500 31.823 0.079 0.000 1.006 27 V HN 1.038 nan 8.190 nan 0.000 0.470 28 V N 3.759 123.774 119.914 0.169 0.000 2.415 28 V HA 0.646 4.796 4.120 0.051 0.000 0.267 28 V C 1.050 177.234 176.094 0.151 0.000 1.042 28 V CA 0.833 63.219 62.300 0.142 0.000 1.000 28 V CB 0.536 32.460 31.823 0.168 0.000 1.015 28 V HN 1.025 nan 8.190 nan 0.000 0.478 29 S N 3.723 119.416 115.700 -0.011 0.000 2.484 29 S HA 0.669 5.170 4.470 0.051 0.000 0.242 29 S C 0.798 175.216 174.600 -0.303 0.000 1.158 29 S CA 0.306 58.316 58.200 -0.316 0.000 1.162 29 S CB -0.462 62.596 63.200 -0.237 0.000 0.850 29 S HN 1.538 nan 8.310 nan 0.000 0.477 30 T N -0.425 114.012 114.554 -0.195 0.000 2.828 30 T HA 0.596 4.977 4.350 0.051 0.000 0.290 30 T C 1.260 175.858 174.700 -0.170 0.000 1.019 30 T CA 0.296 62.306 62.100 -0.151 0.000 1.031 30 T CB -0.053 68.751 68.868 -0.107 0.000 1.001 30 T HN 0.538 nan 8.240 nan 0.000 0.531 31 E N 0.274 120.406 120.200 -0.112 0.000 2.150 31 E HA 0.168 4.548 4.350 0.051 0.000 0.193 31 E C 2.505 179.059 176.600 -0.078 0.000 0.985 31 E CA 1.842 58.193 56.400 -0.081 0.000 0.814 31 E CB -0.976 28.692 29.700 -0.052 0.000 0.752 31 E HN 0.963 nan 8.360 nan 0.000 0.466 32 A N 0.527 123.288 122.820 -0.098 0.000 1.968 32 A HA 0.383 4.733 4.320 0.051 0.000 0.217 32 A C 2.749 180.199 177.584 -0.224 0.000 1.169 32 A CA 1.854 53.829 52.037 -0.104 0.000 0.638 32 A CB -0.400 18.560 19.000 -0.068 0.000 0.812 32 A HN 0.899 nan 8.150 nan 0.000 0.446 33 A N -0.386 122.202 122.820 -0.386 0.000 1.929 33 A HA 0.117 4.467 4.320 0.051 0.000 0.216 33 A C 2.436 179.996 177.584 -0.040 0.000 1.176 33 A CA 1.985 53.630 52.037 -0.653 0.000 0.628 33 A CB -0.735 18.008 19.000 -0.428 0.000 0.816 33 A HN 0.635 nan 8.150 nan 0.000 0.444 34 R N 0.296 120.841 120.500 0.075 0.000 2.090 34 R HA -0.113 4.258 4.340 0.051 0.000 0.228 34 R C 1.943 178.292 176.300 0.081 0.000 1.110 34 R CA 1.942 58.185 56.100 0.238 0.000 0.973 34 R CB -1.605 28.796 30.300 0.169 0.000 0.869 34 R HN 0.719 nan 8.270 nan 0.000 0.440 35 N N 0.765 119.468 118.700 0.005 0.000 2.135 35 N HA -0.117 4.654 4.740 0.051 0.000 0.186 35 N C 1.270 176.742 175.510 -0.064 0.000 1.027 35 N CA 1.567 54.599 53.050 -0.030 0.000 0.849 35 N CB -0.067 38.399 38.487 -0.034 0.000 1.002 35 N HN 0.482 nan 8.380 nan 0.000 0.425 36 D N 0.077 120.461 120.400 -0.026 0.000 2.178 36 D HA -0.126 4.545 4.640 0.051 0.000 0.201 36 D C 1.801 177.947 176.300 -0.256 0.000 0.980 36 D CA 0.893 54.861 54.000 -0.053 0.000 0.842 36 D CB -0.185 40.718 40.800 0.172 0.000 0.948 36 D HN 0.481 nan 8.370 nan 0.000 0.472 37 Q N 0.031 119.755 119.800 -0.125 0.000 2.083 37 Q HA 0.026 4.396 4.340 0.051 0.000 0.198 37 Q C 2.134 177.876 176.000 -0.431 0.000 0.969 37 Q CA 1.295 56.947 55.803 -0.252 0.000 0.838 37 Q CB -0.037 28.805 28.738 0.174 0.000 0.900 37 Q HN 0.209 nan 8.270 nan 0.000 0.436 38 A N -0.241 122.435 122.820 -0.240 0.000 2.066 38 A HA -0.094 4.257 4.320 0.051 0.000 0.218 38 A C 2.011 179.447 177.584 -0.247 0.000 1.157 38 A CA 1.552 53.464 52.037 -0.209 0.000 0.670 38 A CB -0.222 18.710 19.000 -0.114 0.000 0.804 38 A HN 0.276 nan 8.150 nan 0.000 0.453 39 T N -2.075 112.299 114.554 -0.300 0.000 3.040 39 T HA 0.372 4.753 4.350 0.051 0.000 0.250 39 T C 1.162 175.640 174.700 -0.369 0.000 1.058 39 T CA 1.208 63.153 62.100 -0.259 0.000 0.988 39 T CB -0.297 68.469 68.868 -0.170 0.000 0.993 39 T HN 1.423 nan 8.240 nan 0.000 0.519 40 G N 1.750 110.105 108.800 -0.743 0.000 2.160 40 G HA2 -0.229 3.762 3.960 0.051 0.000 0.251 40 G HA3 -0.229 3.762 3.960 0.051 0.000 0.251 40 G C 0.167 174.772 174.900 -0.492 0.000 1.008 40 G CA 0.486 44.961 45.100 -1.041 0.000 0.724 40 G HN 0.567 nan 8.290 nan 0.000 0.514 41 T N 0.378 114.710 114.554 -0.369 0.000 2.794 41 T HA 0.366 4.746 4.350 0.051 0.000 0.296 41 T C 0.689 175.396 174.700 0.012 0.000 0.949 41 T CA -0.089 61.945 62.100 -0.110 0.000 1.101 41 T CB 1.416 70.221 68.868 -0.105 0.000 0.905 41 T HN 0.376 nan 8.240 nan 0.000 0.516 42 C N 7.107 126.458 119.300 0.085 0.000 2.540 42 C HA 0.223 4.713 4.460 0.051 0.000 0.377 42 C C -0.866 174.047 174.990 -0.128 0.000 1.274 42 C CA -1.581 57.479 59.018 0.070 0.000 1.718 42 C CB -0.057 27.797 27.740 0.191 0.000 2.391 42 C HN 0.712 nan 8.230 nan 0.000 0.565 43 P HA -0.022 nan 4.420 nan 0.000 0.230 43 P C 0.676 177.699 177.300 -0.461 0.000 1.158 43 P CA 1.278 64.078 63.100 -0.500 0.000 0.769 43 P CB -0.023 31.270 31.700 -0.679 0.000 0.807 44 F N -1.667 118.305 119.950 0.037 0.000 2.317 44 F HA 0.099 4.653 4.527 0.046 0.000 0.293 44 F C 2.150 177.989 175.800 0.065 0.000 1.085 44 F CA 0.423 58.453 58.000 0.050 0.000 1.390 44 F CB -1.166 37.861 39.000 0.045 0.000 1.077 44 F HN -0.247 nan 8.300 nan 0.000 0.517 45 L N -0.494 120.857 121.223 0.213 0.000 2.109 45 L HA -0.135 4.236 4.340 0.051 0.000 0.207 45 L C 2.572 179.494 176.870 0.088 0.000 1.086 45 L CA 1.481 56.407 54.840 0.143 0.000 0.760 45 L CB -0.741 41.390 42.059 0.121 0.000 0.910 45 L HN 0.180 nan 8.230 nan 0.000 0.437 46 T N -0.847 113.736 114.554 0.048 0.000 2.962 46 T HA -0.053 4.327 4.350 0.051 0.000 0.270 46 T C 1.628 176.349 174.700 0.035 0.000 1.088 46 T CA 1.198 63.312 62.100 0.025 0.000 1.127 46 T CB 0.101 68.965 68.868 -0.007 0.000 0.883 46 T HN 0.404 nan 8.240 nan 0.000 0.493 47 A N -0.060 122.792 122.820 0.053 0.000 2.044 47 A HA 0.625 4.976 4.320 0.051 0.000 0.213 47 A C 2.513 180.160 177.584 0.104 0.000 1.169 47 A CA 1.063 53.142 52.037 0.070 0.000 0.724 47 A CB -0.669 18.374 19.000 0.072 0.000 0.840 47 A HN 0.534 nan 8.150 nan 0.000 0.463 48 A N 1.063 123.961 122.820 0.131 0.000 1.897 48 A HA -0.056 4.295 4.320 0.051 0.000 0.215 48 A C 1.883 179.538 177.584 0.119 0.000 1.181 48 A CA 1.546 53.681 52.037 0.163 0.000 0.620 48 A CB -0.270 18.849 19.000 0.197 0.000 0.821 48 A HN 0.551 nan 8.150 nan 0.000 0.443 49 K N -0.841 119.606 120.400 0.078 0.000 2.414 49 K HA 0.479 4.830 4.320 0.051 0.000 0.204 49 K C -0.257 176.361 176.600 0.031 0.000 1.026 49 K CA -0.190 56.121 56.287 0.041 0.000 1.108 49 K CB 0.071 32.584 32.500 0.022 0.000 0.855 49 K HN 0.095 nan 8.250 nan 0.000 0.517 50 L N 0.428 121.675 121.223 0.040 0.000 3.976 50 L HA -0.206 4.165 4.340 0.051 0.000 0.418 50 L C -0.849 176.031 176.870 0.018 0.000 1.177 50 L CA 0.501 55.359 54.840 0.030 0.000 0.968 50 L CB -1.782 40.294 42.059 0.028 0.000 1.933 50 L HN 0.142 nan 8.230 nan 0.000 0.976 51 V N -0.913 119.011 119.914 0.017 0.000 2.638 51 V HA 0.272 4.422 4.120 0.051 0.000 0.306 51 V C 0.587 176.686 176.094 0.008 0.000 1.052 51 V CA -0.979 61.326 62.300 0.009 0.000 0.885 51 V CB 2.118 33.945 31.823 0.007 0.000 0.999 51 V HN 0.231 nan 8.190 nan 0.000 0.424 52 E N 2.622 122.822 120.200 -0.000 0.000 2.585 52 E HA 0.126 4.506 4.350 0.051 0.000 0.252 52 E C -0.804 175.795 176.600 -0.002 0.000 0.981 52 E CA 0.445 56.841 56.400 -0.007 0.000 0.943 52 E CB 0.464 30.154 29.700 -0.016 0.000 0.923 52 E HN 0.768 nan 8.360 nan 0.000 0.486 53 T N 3.494 118.049 114.554 0.001 0.000 3.011 53 T HA 0.216 4.597 4.350 0.051 0.000 0.303 53 T C -0.612 174.099 174.700 0.017 0.000 0.997 53 T CA -0.885 61.224 62.100 0.015 0.000 1.007 53 T CB 1.475 70.362 68.868 0.032 0.000 1.017 53 T HN 0.481 nan 8.240 nan 0.000 0.443 54 S N 1.009 116.720 115.700 0.019 0.000 2.632 54 S HA 0.413 4.914 4.470 0.051 0.000 0.267 54 S C 0.756 175.409 174.600 0.088 0.000 1.276 54 S CA -0.881 57.340 58.200 0.034 0.000 0.998 54 S CB 0.525 63.735 63.200 0.016 0.000 0.953 54 S HN 0.889 nan 8.310 nan 0.000 0.547 55 C N 1.906 121.301 119.300 0.158 0.000 2.657 55 C HA 0.172 4.663 4.460 0.051 0.000 0.420 55 C C 2.126 177.182 174.990 0.110 0.000 1.323 55 C CA 0.118 59.231 59.018 0.158 0.000 1.894 55 C CB -0.614 27.235 27.740 0.182 0.000 2.681 55 C HN 0.848 nan 8.230 nan 0.000 0.613 56 V N 2.941 122.909 119.914 0.091 0.000 3.380 56 V HA 0.083 4.233 4.120 0.051 0.000 0.268 56 V C 1.056 177.188 176.094 0.063 0.000 1.168 56 V CA 0.856 63.198 62.300 0.070 0.000 1.156 56 V CB -0.987 30.876 31.823 0.065 0.000 0.785 56 V HN 0.781 nan 8.190 nan 0.000 0.487 57 K N 1.500 121.940 120.400 0.066 0.000 2.258 57 K HA 0.603 4.953 4.320 0.051 0.000 0.264 57 K C 0.516 177.148 176.600 0.053 0.000 1.007 57 K CA 0.292 56.612 56.287 0.056 0.000 0.941 57 K CB 1.077 33.609 32.500 0.052 0.000 0.966 57 K HN 0.485 nan 8.250 nan 0.000 0.480 58 A N 1.154 123.999 122.820 0.042 0.000 2.346 58 A HA -0.005 4.346 4.320 0.051 0.000 0.252 58 A C 1.296 178.908 177.584 0.046 0.000 1.089 58 A CA -0.107 51.952 52.037 0.036 0.000 0.797 58 A CB 0.301 19.313 19.000 0.020 0.000 1.047 58 A HN 0.981 nan 8.150 nan 0.000 0.494 59 E N -0.333 119.893 120.200 0.044 0.000 2.147 59 E HA -0.245 4.136 4.350 0.051 0.000 0.199 59 E C 1.773 178.407 176.600 0.057 0.000 1.005 59 E CA 2.110 58.544 56.400 0.055 0.000 0.810 59 E CB -0.206 29.519 29.700 0.040 0.000 0.736 59 E HN 0.899 nan 8.360 nan 0.000 0.460 60 T N -2.072 112.500 114.554 0.030 0.000 3.007 60 T HA -0.060 4.320 4.350 0.051 0.000 0.270 60 T C 1.542 176.279 174.700 0.061 0.000 1.107 60 T CA 1.099 63.209 62.100 0.016 0.000 1.118 60 T CB -0.018 68.832 68.868 -0.030 0.000 0.889 60 T HN 0.153 nan 8.240 nan 0.000 0.506 61 S N -0.856 114.896 115.700 0.086 0.000 3.009 61 S HA 0.357 4.858 4.470 0.051 0.000 0.254 61 S C 0.155 174.828 174.600 0.122 0.000 1.004 61 S CA -0.906 57.401 58.200 0.178 0.000 1.119 61 S CB -0.132 63.166 63.200 0.164 0.000 1.075 61 S HN 0.390 nan 8.310 nan 0.000 0.618 62 R N 1.513 122.063 120.500 0.082 0.000 2.458 62 R HA 0.464 4.835 4.340 0.051 0.000 0.303 62 R C 1.480 177.634 176.300 -0.243 0.000 1.013 62 R CA 1.733 57.838 56.100 0.008 0.000 1.026 62 R CB -0.423 29.939 30.300 0.102 0.000 0.948 62 R HN 0.641 nan 8.270 nan 0.000 0.417 63 G N 2.384 110.816 108.800 -0.612 0.000 2.234 63 G HA2 -0.272 3.719 3.960 0.051 0.000 0.235 63 G HA3 -0.272 3.719 3.960 0.051 0.000 0.235 63 G C -0.079 174.434 174.900 -0.645 0.000 0.997 63 G CA 0.017 44.159 45.100 -1.596 0.000 0.623 63 G HN 0.536 nan 8.290 nan 0.000 0.514 64 V N 1.816 121.624 119.914 -0.176 0.000 2.302 64 V HA 0.206 4.356 4.120 0.051 0.000 0.244 64 V C 1.648 177.719 176.094 -0.039 0.000 1.160 64 V CA 0.513 62.789 62.300 -0.040 0.000 1.127 64 V CB 0.196 31.984 31.823 -0.059 0.000 1.253 64 V HN 0.500 nan 8.190 nan 0.000 0.496 65 C N 3.285 122.571 119.300 -0.022 0.000 2.634 65 C HA 0.285 4.776 4.460 0.051 0.000 0.268 65 C C 0.853 175.869 174.990 0.045 0.000 1.322 65 C CA -0.006 59.033 59.018 0.036 0.000 1.737 65 C CB -0.167 27.640 27.740 0.111 0.000 1.976 65 C HN 0.601 nan 8.230 nan 0.000 0.547 66 V N 0.115 120.049 119.914 0.033 0.000 2.932 66 V HA 0.555 4.706 4.120 0.051 0.000 0.307 66 V C -0.937 175.155 176.094 -0.004 0.000 1.147 66 V CA -0.382 61.950 62.300 0.053 0.000 0.951 66 V CB 2.137 34.016 31.823 0.095 0.000 1.031 66 V HN -0.071 nan 8.190 nan 0.000 0.426 67 V N 3.036 122.960 119.914 0.018 0.000 2.735 67 V HA 0.557 4.708 4.120 0.051 0.000 0.310 67 V C -0.414 175.848 176.094 0.281 0.000 1.061 67 V CA -0.742 61.540 62.300 -0.030 0.000 0.913 67 V CB 2.184 33.703 31.823 -0.506 0.000 1.005 67 V HN 0.893 nan 8.190 nan 0.000 0.428 68 N N 1.947 120.811 118.700 0.274 0.000 2.408 68 N HA 0.582 5.352 4.740 0.051 0.000 0.280 68 N C -1.013 174.753 175.510 0.426 0.000 1.002 68 N CA -0.029 53.248 53.050 0.379 0.000 0.907 68 N CB 2.040 40.753 38.487 0.376 0.000 1.161 68 N HN 0.777 nan 8.380 nan 0.000 0.488 69 T N 0.888 115.780 114.554 0.563 0.000 2.883 69 T HA 0.621 5.001 4.350 0.051 0.000 0.301 69 T C -1.061 173.933 174.700 0.490 0.000 1.158 69 T CA -0.559 61.856 62.100 0.524 0.000 1.007 69 T CB 1.622 70.853 68.868 0.606 0.000 1.186 69 T HN 0.559 nan 8.240 nan 0.000 0.499 70 A N 1.487 124.519 122.820 0.354 0.000 2.271 70 A HA 0.790 5.141 4.320 0.051 0.000 0.317 70 A C -0.433 177.337 177.584 0.310 0.000 1.245 70 A CA -0.717 51.503 52.037 0.306 0.000 0.857 70 A CB 0.724 19.838 19.000 0.190 0.000 1.175 70 A HN 0.847 nan 8.150 nan 0.000 0.512 71 V N 2.156 122.320 119.914 0.416 0.000 2.540 71 V HA 0.576 4.727 4.120 0.051 0.000 0.302 71 V C -0.528 175.732 176.094 0.277 0.000 1.035 71 V CA -0.382 62.100 62.300 0.303 0.000 0.873 71 V CB 1.259 33.247 31.823 0.275 0.000 0.992 71 V HN 0.981 nan 8.190 nan 0.000 0.428 72 D N 4.761 125.255 120.400 0.157 0.000 2.723 72 D HA -0.208 4.462 4.640 0.051 0.000 0.236 72 D C 0.719 177.082 176.300 0.105 0.000 1.138 72 D CA 1.274 55.343 54.000 0.114 0.000 0.676 72 D CB -1.119 39.748 40.800 0.111 0.000 1.069 72 D HN 1.004 nan 8.370 nan 0.000 0.430 73 N N -0.820 117.938 118.700 0.096 0.000 2.800 73 N HA -0.213 4.558 4.740 0.051 0.000 0.250 73 N C -0.358 175.174 175.510 0.037 0.000 1.078 73 N CA 1.466 54.554 53.050 0.064 0.000 0.804 73 N CB -0.394 38.118 38.487 0.041 0.000 1.135 73 N HN 0.601 nan 8.380 nan 0.000 0.565 74 E N 0.051 120.272 120.200 0.036 0.000 2.288 74 E HA 0.418 4.799 4.350 0.051 0.000 0.268 74 E C -0.379 176.067 176.600 -0.257 0.000 0.885 74 E CA -0.765 55.561 56.400 -0.123 0.000 0.767 74 E CB 1.982 31.564 29.700 -0.197 0.000 1.220 74 E HN 0.026 nan 8.360 nan 0.000 0.427 75 R N 1.202 121.503 120.500 -0.332 0.000 2.441 75 R HA 0.337 4.708 4.340 0.051 0.000 0.284 75 R C -1.410 174.546 176.300 -0.574 0.000 1.070 75 R CA 0.350 56.310 56.100 -0.233 0.000 1.047 75 R CB 0.353 30.595 30.300 -0.097 0.000 1.016 75 R HN 0.415 nan 8.270 nan 0.000 0.477 76 Y N 0.542 120.832 120.300 -0.017 0.000 2.513 76 Y HA 0.255 4.835 4.550 0.051 0.000 0.340 76 Y C -0.680 175.028 175.900 -0.320 0.000 1.055 76 Y CA -1.090 56.838 58.100 -0.286 0.000 1.020 76 Y CB 2.130 40.238 38.460 -0.586 0.000 1.301 76 Y HN 0.466 nan 8.280 nan 0.000 0.453 77 D N 2.298 122.579 120.400 -0.200 0.000 2.280 77 D HA 0.146 4.817 4.640 0.051 0.000 0.243 77 D C -1.311 174.838 176.300 -0.251 0.000 1.129 77 D CA -0.084 53.851 54.000 -0.108 0.000 0.848 77 D CB 0.784 41.566 40.800 -0.031 0.000 1.107 77 D HN 0.414 nan 8.370 nan 0.000 0.471 78 W N 3.065 124.482 121.300 0.196 0.000 2.294 78 W HA 0.329 5.018 4.660 0.048 0.000 0.314 78 W C -0.162 176.452 176.519 0.159 0.000 1.044 78 W CA -0.917 56.555 57.345 0.213 0.000 1.284 78 W CB 0.537 30.253 29.460 0.426 0.000 1.231 78 W HN 0.091 nan 8.180 nan 0.000 0.419 79 L N 3.623 125.020 121.223 0.291 0.000 2.453 79 L HA 0.081 4.452 4.340 0.051 0.000 0.272 79 L C 0.688 177.715 176.870 0.263 0.000 1.182 79 L CA 0.463 55.429 54.840 0.211 0.000 0.858 79 L CB 0.588 42.748 42.059 0.168 0.000 1.120 79 L HN 0.412 nan 8.230 nan 0.000 0.474 80 V N 1.439 121.465 119.914 0.188 0.000 3.199 80 V HA 0.174 4.325 4.120 0.051 0.000 0.331 80 V C -0.373 175.817 176.094 0.159 0.000 1.446 80 V CA -0.166 62.256 62.300 0.204 0.000 1.120 80 V CB 0.811 32.724 31.823 0.149 0.000 1.051 80 V HN 0.820 nan 8.190 nan 0.000 0.495 81 C N 2.101 121.476 119.300 0.125 0.000 2.705 81 C HA 0.480 4.971 4.460 0.051 0.000 0.369 81 C C -1.526 173.515 174.990 0.085 0.000 1.069 81 C CA -1.044 58.033 59.018 0.099 0.000 1.260 81 C CB 2.119 29.905 27.740 0.076 0.000 1.764 81 C HN 0.293 nan 8.230 nan 0.000 0.469 82 P HA -0.085 nan 4.420 nan 0.000 0.221 82 P C 0.951 178.304 177.300 0.089 0.000 1.145 82 P CA 1.441 64.612 63.100 0.118 0.000 0.795 82 P CB 0.150 31.933 31.700 0.139 0.000 0.775 83 N N -0.005 118.737 118.700 0.070 0.000 2.409 83 N HA -0.099 4.672 4.740 0.051 0.000 0.179 83 N C 1.838 177.282 175.510 -0.110 0.000 1.032 83 N CA 0.583 53.673 53.050 0.067 0.000 0.898 83 N CB -0.509 38.059 38.487 0.135 0.000 0.971 83 N HN 0.107 nan 8.380 nan 0.000 0.441 84 R N 1.549 121.903 120.500 -0.243 0.000 2.148 84 R HA 0.104 4.474 4.340 0.051 0.000 0.227 84 R C 1.447 177.373 176.300 -0.623 0.000 1.103 84 R CA 1.188 56.864 56.100 -0.707 0.000 0.983 84 R CB -0.454 29.640 30.300 -0.344 0.000 0.874 84 R HN 0.080 nan 8.270 nan 0.000 0.451 85 A N 0.202 122.852 122.820 -0.284 0.000 2.251 85 A HA 0.182 4.532 4.320 0.051 0.000 0.209 85 A C 0.526 177.988 177.584 -0.204 0.000 1.187 85 A CA -0.282 51.579 52.037 -0.293 0.000 0.823 85 A CB -0.276 18.647 19.000 -0.128 0.000 0.846 85 A HN 0.282 nan 8.150 nan 0.000 0.486 86 L N 1.412 122.591 121.223 -0.072 0.000 2.505 86 L HA 0.192 4.563 4.340 0.051 0.000 0.279 86 L C -0.724 176.210 176.870 0.107 0.000 1.211 86 L CA 0.346 55.285 54.840 0.165 0.000 1.059 86 L CB -0.233 41.954 42.059 0.213 0.000 1.340 86 L HN 0.138 nan 8.230 nan 0.000 0.447 87 D N 5.682 126.100 120.400 0.031 0.000 2.378 87 D HA 0.275 4.946 4.640 0.051 0.000 0.265 87 D C -2.025 174.272 176.300 -0.005 0.000 1.229 87 D CA -1.499 52.499 54.000 -0.005 0.000 0.914 87 D CB 1.872 42.578 40.800 -0.156 0.000 1.140 87 D HN 0.215 nan 8.370 nan 0.000 0.516 88 P HA -0.151 nan 4.420 nan 0.000 0.216 88 P C 1.675 178.931 177.300 -0.072 0.000 1.150 88 P CA 0.466 63.675 63.100 0.181 0.000 0.843 88 P CB 0.423 32.348 31.700 0.374 0.000 0.787 89 L N -1.611 119.591 121.223 -0.035 0.000 2.046 89 L HA -0.126 4.245 4.340 0.051 0.000 0.208 89 L C 2.228 178.967 176.870 -0.218 0.000 1.077 89 L CA 1.774 56.552 54.840 -0.105 0.000 0.747 89 L CB -1.273 40.773 42.059 -0.021 0.000 0.896 89 L HN -0.130 nan 8.230 nan 0.000 0.432 90 F N -0.781 118.967 119.950 -0.338 0.000 2.146 90 F HA -0.192 4.361 4.527 0.043 0.000 0.298 90 F C 2.156 177.608 175.800 -0.580 0.000 1.096 90 F CA 1.407 59.159 58.000 -0.413 0.000 1.275 90 F CB -0.072 38.678 39.000 -0.417 0.000 1.008 90 F HN 0.056 nan 8.300 nan 0.000 0.480 91 M N 0.281 119.547 119.600 -0.558 0.000 2.229 91 M HA -0.116 4.395 4.480 0.051 0.000 0.264 91 M C 2.518 178.187 176.300 -1.053 0.000 1.063 91 M CA 1.542 56.351 55.300 -0.819 0.000 1.114 91 M CB -1.798 30.217 32.600 -0.975 0.000 1.387 91 M HN 0.354 nan 8.290 nan 0.000 0.420 92 S N 0.756 115.646 115.700 -1.350 0.000 2.383 92 S HA -0.020 4.481 4.470 0.051 0.000 0.227 92 S C 2.144 176.350 174.600 -0.657 0.000 1.026 92 S CA 1.114 58.548 58.200 -1.277 0.000 0.981 92 S CB -0.664 61.919 63.200 -1.027 0.000 0.818 92 S HN 0.425 nan 8.310 nan 0.000 0.472 93 A N 1.990 124.420 122.820 -0.651 0.000 1.930 93 A HA 0.392 4.742 4.320 0.051 0.000 0.217 93 A C 2.491 179.656 177.584 -0.697 0.000 1.175 93 A CA 1.541 53.238 52.037 -0.567 0.000 0.627 93 A CB -1.340 17.318 19.000 -0.569 0.000 0.815 93 A HN 0.839 nan 8.150 nan 0.000 0.443 94 A N 0.296 122.527 122.820 -0.982 0.000 1.968 94 A HA -0.032 4.319 4.320 0.051 0.000 0.217 94 A C 2.461 179.552 177.584 -0.822 0.000 1.169 94 A CA 2.025 53.293 52.037 -1.281 0.000 0.638 94 A CB -0.828 17.164 19.000 -1.680 0.000 0.812 94 A HN 0.949 nan 8.150 nan 0.000 0.446 95 S N 0.027 115.418 115.700 -0.516 0.000 2.402 95 S HA -0.172 4.329 4.470 0.051 0.000 0.229 95 S C 1.945 176.469 174.600 -0.127 0.000 1.021 95 S CA 1.076 59.174 58.200 -0.170 0.000 0.974 95 S CB -0.439 62.860 63.200 0.165 0.000 0.800 95 S HN 0.599 nan 8.310 nan 0.000 0.484 96 R N 1.358 121.749 120.500 -0.181 0.000 2.091 96 R HA 0.042 4.413 4.340 0.051 0.000 0.238 96 R C 2.385 178.509 176.300 -0.294 0.000 1.136 96 R CA 1.427 57.450 56.100 -0.129 0.000 0.959 96 R CB -0.195 30.071 30.300 -0.057 0.000 0.856 96 R HN 0.301 nan 8.270 nan 0.000 0.437 97 K N 0.697 120.846 120.400 -0.418 0.000 2.097 97 K HA -0.074 4.277 4.320 0.051 0.000 0.205 97 K C 2.101 178.397 176.600 -0.506 0.000 1.050 97 K CA 1.085 57.040 56.287 -0.553 0.000 0.938 97 K CB -0.179 31.721 32.500 -1.000 0.000 0.718 97 K HN 0.254 nan 8.250 nan 0.000 0.442 98 L N -0.789 120.139 121.223 -0.490 0.000 2.044 98 L HA -0.093 4.278 4.340 0.051 0.000 0.205 98 L C 2.070 178.615 176.870 -0.542 0.000 1.075 98 L CA 1.169 55.729 54.840 -0.468 0.000 0.747 98 L CB -0.342 41.395 42.059 -0.538 0.000 0.903 98 L HN 0.006 nan 8.230 nan 0.000 0.435 99 F N -0.228 119.449 119.950 -0.456 0.000 2.743 99 F HA 0.225 4.775 4.527 0.039 0.000 0.297 99 F C 1.605 177.022 175.800 -0.639 0.000 1.131 99 F CA 0.598 58.229 58.000 -0.615 0.000 1.426 99 F CB -0.118 38.289 39.000 -0.989 0.000 1.116 99 F HN 0.155 nan 8.300 nan 0.000 0.583 100 G N -0.038 108.531 108.800 -0.386 0.000 2.255 100 G HA2 -0.258 3.733 3.960 0.051 0.000 0.239 100 G HA3 -0.258 3.733 3.960 0.051 0.000 0.239 100 G C -0.567 174.274 174.900 -0.099 0.000 1.083 100 G CA -0.673 44.315 45.100 -0.187 0.000 0.826 100 G HN 0.150 nan 8.290 nan 0.000 0.493 101 Y N 0.207 120.469 120.300 -0.063 0.000 2.352 101 Y HA 0.638 5.216 4.550 0.046 0.000 0.326 101 Y C 1.335 177.198 175.900 -0.063 0.000 1.166 101 Y CA -0.991 57.060 58.100 -0.082 0.000 1.182 101 Y CB 0.789 39.172 38.460 -0.128 0.000 1.216 101 Y HN 0.334 nan 8.280 nan 0.000 0.474 102 G N 2.367 111.246 108.800 0.131 0.000 2.684 102 G HA2 0.209 4.200 3.960 0.051 0.000 0.255 102 G HA3 0.209 4.200 3.960 0.051 0.000 0.255 102 G C -1.581 173.331 174.900 0.021 0.000 1.219 102 G CA -1.049 44.083 45.100 0.053 0.000 0.901 102 G HN 0.492 nan 8.290 nan 0.000 0.548 103 P HA 0.085 nan 4.420 nan 0.000 0.221 103 P C 0.860 178.139 177.300 -0.036 0.000 1.150 103 P CA 1.902 64.981 63.100 -0.035 0.000 0.800 103 P CB 0.231 31.910 31.700 -0.035 0.000 0.787 104 T N -0.046 114.495 114.554 -0.023 0.000 3.466 104 T HA 0.425 4.805 4.350 0.051 0.000 0.297 104 T C -0.203 174.481 174.700 -0.027 0.000 1.640 104 T CA -0.633 61.450 62.100 -0.029 0.000 1.631 104 T CB -0.222 68.632 68.868 -0.023 0.000 0.928 104 T HN 0.162 nan 8.240 nan 0.000 0.688 105 E N 0.917 121.095 120.200 -0.036 0.000 2.331 105 E HA 0.632 5.013 4.350 0.051 0.000 0.275 105 E C -3.069 173.476 176.600 -0.091 0.000 0.895 105 E CA -2.413 53.958 56.400 -0.047 0.000 0.753 105 E CB 1.187 30.876 29.700 -0.018 0.000 1.216 105 E HN 0.015 nan 8.360 nan 0.000 0.434 106 P HA 0.034 nan 4.420 nan 0.000 0.262 106 P C -1.047 176.131 177.300 -0.202 0.000 1.182 106 P CA 0.058 63.067 63.100 -0.151 0.000 0.761 106 P CB 0.379 31.988 31.700 -0.151 0.000 0.795 107 L N 2.615 123.706 121.223 -0.220 0.000 2.543 107 L HA 0.245 4.615 4.340 0.051 0.000 0.265 107 L C -1.248 175.481 176.870 -0.236 0.000 0.945 107 L CA -0.619 54.090 54.840 -0.217 0.000 0.869 107 L CB 2.251 44.217 42.059 -0.155 0.000 1.294 107 L HN 0.262 nan 8.230 nan 0.000 0.405 108 Q N 3.908 123.528 119.800 -0.299 0.000 2.325 108 Q HA 0.357 4.728 4.340 0.051 0.000 0.262 108 Q C -1.394 174.586 176.000 -0.033 0.000 0.968 108 Q CA -0.226 55.377 55.803 -0.333 0.000 0.877 108 Q CB 2.420 30.662 28.738 -0.827 0.000 1.253 108 Q HN 0.476 nan 8.270 nan 0.000 0.448 109 F N 5.352 125.252 119.950 -0.083 0.000 2.366 109 F HA 0.440 5.014 4.527 0.077 0.000 0.366 109 F C -0.509 175.382 175.800 0.151 0.000 1.096 109 F CA -0.896 57.146 58.000 0.070 0.000 1.060 109 F CB 0.425 39.476 39.000 0.084 0.000 1.282 109 F HN 0.398 nan 8.300 nan 0.000 0.450 110 I N 2.550 123.024 120.570 -0.160 0.000 2.603 110 I HA 0.873 5.074 4.170 0.051 0.000 0.300 110 I C -0.336 175.401 176.117 -0.633 0.000 1.017 110 I CA -1.264 59.922 61.300 -0.190 0.000 1.098 110 I CB 1.789 39.725 38.000 -0.105 0.000 1.279 110 I HN 0.513 nan 8.210 nan 0.000 0.437 111 A N 3.510 125.879 122.820 -0.753 0.000 2.425 111 A HA 0.617 4.968 4.320 0.051 0.000 0.249 111 A C 1.311 178.419 177.584 -0.794 0.000 1.084 111 A CA 0.172 51.442 52.037 -1.279 0.000 0.781 111 A CB 0.742 19.306 19.000 -0.727 0.000 1.019 111 A HN 1.141 nan 8.150 nan 0.000 0.490 112 A N 3.472 125.737 122.820 -0.925 0.000 1.940 112 A HA -0.027 4.324 4.320 0.051 0.000 0.219 112 A C -0.159 177.153 177.584 -0.454 0.000 1.176 112 A CA 1.953 53.513 52.037 -0.794 0.000 0.631 112 A CB -1.627 16.448 19.000 -1.541 0.000 0.814 112 A HN 0.630 nan 8.150 nan 0.000 0.446 113 P HA -0.198 nan 4.420 nan 0.000 0.217 113 P C 1.682 178.890 177.300 -0.153 0.000 1.148 113 P CA 2.119 65.099 63.100 -0.200 0.000 0.834 113 P CB -0.437 31.166 31.700 -0.163 0.000 0.783 114 T N -3.084 111.365 114.554 -0.175 0.000 2.929 114 T HA -0.104 4.276 4.350 0.051 0.000 0.271 114 T C 1.720 176.367 174.700 -0.089 0.000 1.085 114 T CA 0.778 62.811 62.100 -0.112 0.000 1.125 114 T CB -1.363 67.447 68.868 -0.097 0.000 0.874 114 T HN 0.063 nan 8.240 nan 0.000 0.494 115 L N 0.782 121.939 121.223 -0.111 0.000 2.263 115 L HA -0.057 4.314 4.340 0.051 0.000 0.216 115 L C 3.175 180.016 176.870 -0.048 0.000 1.111 115 L CA 0.980 55.777 54.840 -0.072 0.000 0.773 115 L CB -0.780 41.234 42.059 -0.074 0.000 0.906 115 L HN 0.406 nan 8.230 nan 0.000 0.439 116 A N -1.117 121.672 122.820 -0.051 0.000 2.015 116 A HA -0.106 4.244 4.320 0.051 0.000 0.219 116 A C 0.853 178.417 177.584 -0.032 0.000 1.163 116 A CA 0.816 52.832 52.037 -0.035 0.000 0.646 116 A CB -0.329 18.650 19.000 -0.035 0.000 0.806 116 A HN 0.276 nan 8.150 nan 0.000 0.448 117 D N -0.588 119.790 120.400 -0.037 0.000 2.350 117 D HA 0.168 4.839 4.640 0.051 0.000 0.249 117 D C 0.673 176.951 176.300 -0.037 0.000 1.119 117 D CA 0.108 54.087 54.000 -0.034 0.000 0.886 117 D CB 1.266 42.046 40.800 -0.033 0.000 1.195 117 D HN 0.405 nan 8.370 nan 0.000 0.437 118 Q N 1.809 121.587 119.800 -0.037 0.000 2.389 118 Q HA 0.000 4.371 4.340 0.051 0.000 0.204 118 Q C 1.692 177.658 176.000 -0.057 0.000 0.944 118 Q CA 0.548 56.325 55.803 -0.043 0.000 0.908 118 Q CB 0.230 28.945 28.738 -0.037 0.000 1.002 118 Q HN 0.600 nan 8.270 nan 0.000 0.493 119 A N -0.067 122.719 122.820 -0.056 0.000 1.898 119 A HA -0.124 4.227 4.320 0.051 0.000 0.216 119 A C 2.058 179.581 177.584 -0.102 0.000 1.181 119 A CA 1.573 53.567 52.037 -0.072 0.000 0.620 119 A CB -0.756 18.211 19.000 -0.054 0.000 0.819 119 A HN 0.398 nan 8.150 nan 0.000 0.442 120 V N -2.760 117.107 119.914 -0.079 0.000 2.649 120 V HA -0.028 4.122 4.120 0.051 0.000 0.248 120 V C 2.144 178.175 176.094 -0.105 0.000 1.054 120 V CA 1.599 63.846 62.300 -0.088 0.000 1.073 120 V CB -0.854 30.961 31.823 -0.013 0.000 0.699 120 V HN 0.453 nan 8.190 nan 0.000 0.463 121 R N 0.548 121.001 120.500 -0.077 0.000 2.081 121 R HA -0.130 4.240 4.340 0.051 0.000 0.235 121 R C 2.103 178.344 176.300 -0.098 0.000 1.131 121 R CA 2.041 58.101 56.100 -0.066 0.000 0.960 121 R CB -0.376 29.896 30.300 -0.047 0.000 0.856 121 R HN 0.585 nan 8.270 nan 0.000 0.436 122 D N -0.920 119.406 120.400 -0.124 0.000 2.183 122 D HA -0.068 4.603 4.640 0.051 0.000 0.203 122 D C 1.755 177.902 176.300 -0.254 0.000 0.969 122 D CA 1.237 55.147 54.000 -0.150 0.000 0.842 122 D CB -0.309 40.415 40.800 -0.128 0.000 0.957 122 D HN 0.375 nan 8.370 nan 0.000 0.484 123 G N 0.855 109.440 108.800 -0.359 0.000 2.408 123 G HA2 -0.166 3.825 3.960 0.051 0.000 0.217 123 G HA3 -0.166 3.825 3.960 0.051 0.000 0.217 123 G C 1.781 176.132 174.900 -0.915 0.000 1.150 123 G CA 0.158 44.817 45.100 -0.735 0.000 0.776 123 G HN 0.246 nan 8.290 nan 0.000 0.542 124 I N 0.023 120.370 120.570 -0.372 0.000 2.252 124 I HA -0.103 4.097 4.170 0.051 0.000 0.245 124 I C 2.953 179.063 176.117 -0.012 0.000 1.102 124 I CA 0.776 62.081 61.300 0.008 0.000 1.385 124 I CB -0.176 37.882 38.000 0.097 0.000 1.064 124 I HN 0.033 nan 8.210 nan 0.000 0.414 125 R N 0.350 120.798 120.500 -0.087 0.000 2.127 125 R HA -0.220 4.150 4.340 0.051 0.000 0.238 125 R C 2.180 178.432 176.300 -0.079 0.000 1.134 125 R CA 1.442 57.505 56.100 -0.061 0.000 0.975 125 R CB -0.238 30.020 30.300 -0.070 0.000 0.865 125 R HN 0.282 nan 8.270 nan 0.000 0.447 126 E N -0.263 119.827 120.200 -0.184 0.000 2.107 126 E HA -0.147 4.234 4.350 0.051 0.000 0.191 126 E C 1.457 178.012 176.600 -0.075 0.000 0.982 126 E CA 0.949 57.236 56.400 -0.188 0.000 0.809 126 E CB 0.000 29.504 29.700 -0.327 0.000 0.756 126 E HN 0.289 nan 8.360 nan 0.000 0.459 127 W N 0.201 121.478 121.300 -0.038 0.000 2.418 127 W HA 0.042 4.729 4.660 0.045 0.000 0.292 127 W C 1.851 178.331 176.519 -0.066 0.000 1.213 127 W CA 0.417 57.731 57.345 -0.050 0.000 1.283 127 W CB -0.831 28.601 29.460 -0.046 0.000 1.119 127 W HN 0.169 nan 8.180 nan 0.000 0.542 128 L N 0.658 121.979 121.223 0.162 0.000 2.093 128 L HA -0.183 4.187 4.340 0.051 0.000 0.208 128 L C 2.171 179.056 176.870 0.025 0.000 1.085 128 L CA 1.802 56.684 54.840 0.070 0.000 0.755 128 L CB -0.807 41.286 42.059 0.057 0.000 0.904 128 L HN -0.038 nan 8.230 nan 0.000 0.435 129 D N 0.449 120.862 120.400 0.022 0.000 2.349 129 D HA -0.144 4.527 4.640 0.051 0.000 0.224 129 D C 1.446 177.747 176.300 0.002 0.000 1.029 129 D CA 0.183 54.185 54.000 0.004 0.000 0.879 129 D CB 0.069 40.867 40.800 -0.003 0.000 0.906 129 D HN 0.475 nan 8.370 nan 0.000 0.528 130 R N -0.921 119.589 120.500 0.016 0.000 2.546 130 R HA 0.404 4.775 4.340 0.051 0.000 0.320 130 R C 1.270 177.553 176.300 -0.028 0.000 1.021 130 R CA 0.178 56.283 56.100 0.008 0.000 1.088 130 R CB -0.245 30.078 30.300 0.038 0.000 1.278 130 R HN -0.037 nan 8.270 nan 0.000 0.557 131 G N 0.725 109.488 108.800 -0.062 0.000 2.168 131 G HA2 -0.283 3.708 3.960 0.051 0.000 0.263 131 G HA3 -0.283 3.708 3.960 0.051 0.000 0.263 131 G C 0.145 174.877 174.900 -0.280 0.000 0.977 131 G CA 0.270 45.280 45.100 -0.149 0.000 0.659 131 G HN 0.207 nan 8.290 nan 0.000 0.533 132 V N 2.809 122.610 119.914 -0.189 0.000 2.555 132 V HA 0.276 4.426 4.120 0.051 0.000 0.286 132 V C 0.965 176.877 176.094 -0.304 0.000 1.044 132 V CA -0.820 61.331 62.300 -0.249 0.000 1.026 132 V CB 0.899 32.633 31.823 -0.148 0.000 0.981 132 V HN 0.338 nan 8.190 nan 0.000 0.480 133 H N 3.112 122.029 119.070 -0.255 0.000 2.683 133 H HA 0.366 4.951 4.556 0.050 0.000 0.339 133 H C -0.463 174.738 175.328 -0.212 0.000 1.081 133 H CA -0.100 55.786 56.048 -0.269 0.000 1.432 133 H CB 1.497 30.919 29.762 -0.567 0.000 1.462 133 H HN 0.377 nan 8.280 nan 0.000 0.557 134 V N 4.531 124.450 119.914 0.008 0.000 2.443 134 V HA 0.174 4.324 4.120 0.051 0.000 0.293 134 V C -0.137 175.955 176.094 -0.004 0.000 1.021 134 V CA -0.819 61.480 62.300 -0.003 0.000 0.848 134 V CB 1.698 33.571 31.823 0.084 0.000 0.998 134 V HN 0.590 nan 8.190 nan 0.000 0.424 135 V N 2.170 122.076 119.914 -0.013 0.000 2.444 135 V HA 0.985 5.135 4.120 0.051 0.000 0.294 135 V C 0.144 176.183 176.094 -0.092 0.000 1.022 135 V CA -0.803 61.482 62.300 -0.025 0.000 0.850 135 V CB 1.460 33.298 31.823 0.025 0.000 0.992 135 V HN 0.943 nan 8.190 nan 0.000 0.426 136 A N 5.327 128.101 122.820 -0.077 0.000 2.290 136 A HA 0.848 5.198 4.320 0.051 0.000 0.310 136 A C -0.628 176.864 177.584 -0.154 0.000 1.202 136 A CA -0.634 51.273 52.037 -0.216 0.000 0.837 136 A CB 0.639 19.518 19.000 -0.201 0.000 1.139 136 A HN 1.510 nan 8.150 nan 0.000 0.509 137 Y N -0.194 119.906 120.300 -0.333 0.000 2.387 137 Y HA 0.787 5.327 4.550 -0.016 0.000 0.336 137 Y C -1.329 174.386 175.900 -0.309 0.000 1.067 137 Y CA -1.677 56.326 58.100 -0.161 0.000 1.114 137 Y CB 0.978 39.393 38.460 -0.075 0.000 1.208 137 Y HN 0.398 nan 8.280 nan 0.000 0.458 138 F N 3.608 123.636 119.950 0.130 0.000 2.402 138 F HA 0.418 4.888 4.527 -0.094 0.000 0.355 138 F C 0.060 175.842 175.800 -0.030 0.000 1.123 138 F CA -0.457 57.554 58.000 0.017 0.000 1.021 138 F CB 1.642 40.661 39.000 0.033 0.000 1.160 138 F HN 0.577 nan 8.300 nan 0.000 0.451 139 Q N 3.068 122.856 119.800 -0.021 0.000 2.451 139 Q HA 0.181 4.551 4.340 0.051 0.000 0.281 139 Q C 0.787 176.728 176.000 -0.098 0.000 1.099 139 Q CA -0.448 55.201 55.803 -0.256 0.000 0.806 139 Q CB 2.159 30.431 28.738 -0.775 0.000 1.419 139 Q HN 0.886 nan 8.270 nan 0.000 0.427 140 E N 1.572 121.727 120.200 -0.074 0.000 2.130 140 E HA -0.209 4.171 4.350 0.051 0.000 0.196 140 E C 0.658 177.253 176.600 -0.009 0.000 0.998 140 E CA 1.411 57.805 56.400 -0.010 0.000 0.806 140 E CB 0.141 29.846 29.700 0.009 0.000 0.738 140 E HN 0.328 nan 8.360 nan 0.000 0.459 141 K N -0.190 120.194 120.400 -0.027 0.000 2.379 141 K HA 0.168 4.519 4.320 0.051 0.000 0.194 141 K C 0.143 176.729 176.600 -0.022 0.000 1.031 141 K CA 0.128 56.410 56.287 -0.008 0.000 1.037 141 K CB 0.745 33.253 32.500 0.014 0.000 0.824 141 K HN 0.210 nan 8.250 nan 0.000 0.516 142 L N 0.829 122.019 121.223 -0.054 0.000 2.581 142 L HA 0.266 4.637 4.340 0.051 0.000 0.241 142 L C 0.672 177.460 176.870 -0.137 0.000 1.265 142 L CA 0.176 54.962 54.840 -0.090 0.000 0.954 142 L CB 0.347 42.375 42.059 -0.052 0.000 1.269 142 L HN 0.420 nan 8.230 nan 0.000 0.475 143 G N 0.630 109.387 108.800 -0.073 0.000 2.194 143 G HA2 -0.101 3.889 3.960 0.051 0.000 0.236 143 G HA3 -0.101 3.889 3.960 0.051 0.000 0.236 143 G C 0.654 175.659 174.900 0.175 0.000 0.987 143 G CA 0.082 45.181 45.100 -0.001 0.000 0.635 143 G HN 1.202 nan 8.290 nan 0.000 0.520 144 G N -0.652 108.211 108.800 0.104 0.000 2.755 144 G HA2 0.142 4.133 3.960 0.051 0.000 0.686 144 G HA3 0.142 4.133 3.960 0.051 0.000 0.686 144 G C -0.388 174.596 174.900 0.139 0.000 1.427 144 G CA 0.289 45.448 45.100 0.099 0.000 0.873 144 G HN 0.995 nan 8.290 nan 0.000 0.580 145 E N -0.181 120.065 120.200 0.077 0.000 2.349 145 E HA 0.479 4.860 4.350 0.051 0.000 0.265 145 E C 0.409 177.029 176.600 0.033 0.000 1.064 145 E CA -0.772 55.677 56.400 0.082 0.000 0.886 145 E CB 0.998 30.733 29.700 0.060 0.000 1.036 145 E HN 0.316 nan 8.360 nan 0.000 0.413 146 L N 1.978 123.234 121.223 0.056 0.000 2.325 146 L HA 0.333 4.703 4.340 0.051 0.000 0.279 146 L C 0.176 177.061 176.870 0.024 0.000 1.054 146 L CA -0.052 54.793 54.840 0.009 0.000 0.804 146 L CB 1.257 43.321 42.059 0.008 0.000 1.200 146 L HN 0.637 nan 8.230 nan 0.000 0.436 147 S N 2.903 118.575 115.700 -0.047 0.000 2.570 147 S HA 0.759 5.260 4.470 0.051 0.000 0.286 147 S C -0.622 173.931 174.600 -0.079 0.000 1.099 147 S CA -0.848 57.272 58.200 -0.133 0.000 0.913 147 S CB 2.207 65.335 63.200 -0.121 0.000 1.085 147 S HN 0.461 nan 8.310 nan 0.000 0.480 148 I N 0.570 121.081 120.570 -0.098 0.000 2.377 148 I HA 0.669 4.869 4.170 0.051 0.000 0.293 148 I C 0.219 176.325 176.117 -0.018 0.000 0.987 148 I CA -0.751 60.543 61.300 -0.010 0.000 1.185 148 I CB 1.758 39.801 38.000 0.072 0.000 1.341 148 I HN 0.746 nan 8.210 nan 0.000 0.455 149 S N 4.688 120.380 115.700 -0.014 0.000 2.603 149 S HA 0.333 4.834 4.470 0.051 0.000 0.268 149 S C 0.071 174.666 174.600 -0.009 0.000 1.317 149 S CA -0.799 57.385 58.200 -0.025 0.000 1.012 149 S CB 0.851 64.038 63.200 -0.023 0.000 0.926 149 S HN 0.851 nan 8.310 nan 0.000 0.539 150 K N 0.292 120.673 120.400 -0.030 0.000 2.219 150 K HA 0.447 4.798 4.320 0.051 0.000 0.258 150 K C 0.267 176.872 176.600 0.007 0.000 1.008 150 K CA -0.416 55.859 56.287 -0.020 0.000 0.928 150 K CB 0.219 32.688 32.500 -0.051 0.000 0.983 150 K HN 0.818 nan 8.250 nan 0.000 0.484 151 T N -2.329 112.241 114.554 0.026 0.000 2.693 151 T HA 0.203 4.583 4.350 0.051 0.000 0.278 151 T C 0.296 175.014 174.700 0.030 0.000 0.994 151 T CA -0.723 61.396 62.100 0.031 0.000 1.033 151 T CB 1.002 69.900 68.868 0.049 0.000 1.342 151 T HN 0.503 nan 8.240 nan 0.000 0.538 152 D N 0.415 120.833 120.400 0.031 0.000 2.219 152 D HA 0.053 4.724 4.640 0.051 0.000 0.205 152 D C 1.471 177.798 176.300 0.045 0.000 0.970 152 D CA 1.017 55.035 54.000 0.030 0.000 0.851 152 D CB -0.008 40.808 40.800 0.026 0.000 0.943 152 D HN 0.471 nan 8.370 nan 0.000 0.488 153 S N -0.844 114.894 115.700 0.062 0.000 2.603 153 S HA 0.119 4.620 4.470 0.051 0.000 0.232 153 S C 0.364 175.045 174.600 0.134 0.000 1.016 153 S CA -0.418 57.833 58.200 0.084 0.000 0.976 153 S CB 0.775 64.019 63.200 0.073 0.000 0.921 153 S HN 0.220 nan 8.310 nan 0.000 0.516 154 S N 1.641 117.423 115.700 0.137 0.000 2.533 154 S HA 0.659 5.160 4.470 0.051 0.000 0.271 154 S C -3.500 171.167 174.600 0.111 0.000 1.143 154 S CA -1.408 56.919 58.200 0.212 0.000 0.891 154 S CB 2.159 65.519 63.200 0.266 0.000 1.105 154 S HN -0.069 nan 8.310 nan 0.000 0.468 155 P HA 0.361 nan 4.420 nan 0.000 0.278 155 P C -0.647 176.496 177.300 -0.261 0.000 1.258 155 P CA -0.457 62.547 63.100 -0.161 0.000 0.811 155 P CB 0.552 32.065 31.700 -0.311 0.000 1.063 156 E N 0.399 120.401 120.200 -0.330 0.000 2.373 156 E HA 0.250 4.631 4.350 0.051 0.000 0.267 156 E C -1.257 174.977 176.600 -0.609 0.000 1.032 156 E CA -0.054 56.166 56.400 -0.301 0.000 0.889 156 E CB 0.114 29.683 29.700 -0.218 0.000 0.984 156 E HN 0.233 nan 8.360 nan 0.000 0.425 157 F N 1.099 120.897 119.950 -0.253 0.000 2.588 157 F HA 0.340 4.893 4.527 0.044 0.000 0.310 157 F C -0.129 175.379 175.800 -0.486 0.000 1.082 157 F CA -0.658 57.129 58.000 -0.355 0.000 0.929 157 F CB 2.407 41.154 39.000 -0.423 0.000 1.254 157 F HN 0.255 nan 8.300 nan 0.000 0.455 158 S N 1.489 117.035 115.700 -0.257 0.000 2.568 158 S HA 0.719 5.220 4.470 0.051 0.000 0.302 158 S C -1.385 172.984 174.600 -0.385 0.000 1.082 158 S CA -0.572 57.428 58.200 -0.333 0.000 1.009 158 S CB 1.133 64.260 63.200 -0.121 0.000 1.069 158 S HN 0.284 nan 8.310 nan 0.000 0.500 159 F N 1.511 121.516 119.950 0.092 0.000 2.436 159 F HA 0.383 4.926 4.527 0.028 0.000 0.340 159 F C 1.286 177.158 175.800 0.120 0.000 1.113 159 F CA -1.190 56.871 58.000 0.102 0.000 1.022 159 F CB 0.835 39.904 39.000 0.116 0.000 1.128 159 F HN 0.466 nan 8.300 nan 0.000 0.466 160 D N 1.638 122.233 120.400 0.326 0.000 2.078 160 D HA -0.157 4.514 4.640 0.051 0.000 0.193 160 D C -0.213 176.279 176.300 0.321 0.000 0.990 160 D CA 1.912 56.094 54.000 0.304 0.000 0.827 160 D CB 0.010 41.032 40.800 0.370 0.000 0.975 160 D HN 0.388 nan 8.370 nan 0.000 0.451 161 W N 0.431 121.844 121.300 0.188 0.000 2.475 161 W HA 0.358 5.163 4.660 0.241 0.000 0.320 161 W C -0.148 176.515 176.519 0.239 0.000 1.022 161 W CA -0.740 56.736 57.345 0.218 0.000 1.240 161 W CB 1.216 30.773 29.460 0.161 0.000 1.328 161 W HN -0.376 nan 8.180 nan 0.000 0.439 162 T N 4.864 119.693 114.554 0.460 0.000 2.767 162 T HA 0.708 5.088 4.350 0.051 0.000 0.284 162 T C -0.786 174.198 174.700 0.473 0.000 0.973 162 T CA -0.430 61.897 62.100 0.379 0.000 0.996 162 T CB 0.150 69.178 68.868 0.266 0.000 0.927 162 T HN 0.314 nan 8.240 nan 0.000 0.456 163 L N 4.565 126.067 121.223 0.464 0.000 2.298 163 L HA 0.702 5.073 4.340 0.051 0.000 0.284 163 L C 0.298 177.486 176.870 0.529 0.000 1.013 163 L CA -1.132 54.025 54.840 0.529 0.000 0.824 163 L CB 1.466 43.917 42.059 0.653 0.000 1.221 163 L HN 0.725 nan 8.230 nan 0.000 0.418 164 A N 2.879 125.926 122.820 0.379 0.000 2.280 164 A HA 0.285 4.636 4.320 0.051 0.000 0.320 164 A C 0.037 177.704 177.584 0.138 0.000 1.366 164 A CA -0.417 51.800 52.037 0.299 0.000 0.938 164 A CB 0.318 19.493 19.000 0.291 0.000 1.157 164 A HN 0.769 nan 8.150 nan 0.000 0.536 165 E N 3.410 123.651 120.200 0.068 0.000 2.029 165 E HA 0.313 4.693 4.350 0.051 0.000 0.276 165 E C -0.527 176.096 176.600 0.038 0.000 1.163 165 E CA -0.284 56.051 56.400 -0.108 0.000 0.909 165 E CB 0.293 29.825 29.700 -0.280 0.000 1.046 165 E HN 0.474 nan 8.360 nan 0.000 0.406 166 V N 4.717 124.657 119.914 0.044 0.000 2.715 166 V HA -0.042 4.108 4.120 0.051 0.000 0.299 166 V C 1.186 177.322 176.094 0.071 0.000 1.054 166 V CA 0.664 63.005 62.300 0.069 0.000 1.077 166 V CB 1.127 32.990 31.823 0.066 0.000 0.972 166 V HN 0.865 nan 8.190 nan 0.000 0.484 167 E N 1.931 122.174 120.200 0.072 0.000 2.441 167 E HA 0.245 4.626 4.350 0.051 0.000 0.212 167 E C 0.650 177.281 176.600 0.051 0.000 0.840 167 E CA 0.151 56.589 56.400 0.063 0.000 1.143 167 E CB 0.804 30.545 29.700 0.068 0.000 1.153 167 E HN 0.533 nan 8.360 nan 0.000 0.539 168 S N -0.743 114.987 115.700 0.051 0.000 2.546 168 S HA 0.546 5.046 4.470 0.051 0.000 0.274 168 S C -0.353 174.270 174.600 0.038 0.000 1.121 168 S CA -0.840 57.384 58.200 0.040 0.000 0.887 168 S CB 1.450 64.672 63.200 0.037 0.000 1.094 168 S HN 0.251 nan 8.310 nan 0.000 0.474 169 I N 2.455 123.042 120.570 0.027 0.000 4.866 169 I HA 0.140 4.340 4.170 0.051 0.000 0.325 169 I C 2.558 178.681 176.117 0.011 0.000 1.240 169 I CA 0.906 62.219 61.300 0.021 0.000 1.355 169 I CB -1.534 36.475 38.000 0.016 0.000 1.395 169 I HN 0.830 nan 8.210 nan 0.000 0.479 170 Y N 2.690 122.994 120.300 0.007 0.000 1.977 170 Y HA -0.248 4.332 4.550 0.051 0.000 0.264 170 Y C 0.477 176.378 175.900 0.002 0.000 1.167 170 Y CA 3.054 61.154 58.100 0.000 0.000 1.102 170 Y CB -3.017 35.443 38.460 -0.001 0.000 0.948 170 Y HN 0.277 nan 8.280 nan 0.000 0.489 171 P HA 0.225 nan 4.420 nan 0.000 0.214 171 P C -0.452 176.855 177.300 0.011 0.000 1.163 171 P CA 1.498 64.603 63.100 0.008 0.000 0.881 171 P CB 0.230 31.935 31.700 0.010 0.000 0.775 172 V N 1.055 120.979 119.914 0.016 0.000 2.808 172 V HA 0.314 4.465 4.120 0.051 0.000 0.308 172 V C -2.653 173.458 176.094 0.029 0.000 1.099 172 V CA -1.964 60.349 62.300 0.021 0.000 0.920 172 V CB 2.386 34.222 31.823 0.021 0.000 1.014 172 V HN -0.028 nan 8.190 nan 0.000 0.425 173 P HA 0.213 nan 4.420 nan 0.000 0.263 173 P C -1.010 176.323 177.300 0.054 0.000 1.195 173 P CA 0.140 63.267 63.100 0.046 0.000 0.762 173 P CB 0.469 32.202 31.700 0.056 0.000 0.799 174 K N 2.957 123.392 120.400 0.059 0.000 2.464 174 K HA 0.543 4.894 4.320 0.051 0.000 0.253 174 K C -0.322 176.328 176.600 0.082 0.000 0.933 174 K CA -0.951 55.376 56.287 0.067 0.000 0.801 174 K CB 2.233 34.768 32.500 0.057 0.000 1.271 174 K HN 0.423 nan 8.250 nan 0.000 0.430 175 I N -0.303 120.327 120.570 0.100 0.000 2.603 175 I HA 0.362 4.563 4.170 0.051 0.000 0.300 175 I C 0.444 176.639 176.117 0.130 0.000 1.017 175 I CA -0.660 60.713 61.300 0.121 0.000 1.098 175 I CB 1.900 39.995 38.000 0.157 0.000 1.279 175 I HN 0.608 nan 8.210 nan 0.000 0.437 176 K N 3.321 123.799 120.400 0.130 0.000 1.991 176 K HA 0.141 4.492 4.320 0.051 0.000 0.207 176 K C 0.426 177.127 176.600 0.168 0.000 1.045 176 K CA 1.169 57.535 56.287 0.132 0.000 0.937 176 K CB 0.284 32.859 32.500 0.126 0.000 0.720 176 K HN 0.605 nan 8.250 nan 0.000 0.438 177 R N -0.822 119.808 120.500 0.217 0.000 2.799 177 R HA 0.259 4.630 4.340 0.051 0.000 0.270 177 R C -1.484 175.064 176.300 0.413 0.000 1.010 177 R CA -0.902 55.360 56.100 0.269 0.000 0.916 177 R CB 1.574 32.020 30.300 0.243 0.000 1.228 177 R HN 0.015 nan 8.270 nan 0.000 0.469 178 Y N -1.715 118.747 120.300 0.269 0.000 2.509 178 Y HA 0.883 5.462 4.550 0.049 0.000 0.341 178 Y C -0.239 175.745 175.900 0.141 0.000 1.038 178 Y CA -1.157 57.104 58.100 0.268 0.000 1.089 178 Y CB 1.715 40.258 38.460 0.137 0.000 1.241 178 Y HN 0.628 nan 8.280 nan 0.000 0.468 179 G N 0.765 109.684 108.800 0.199 0.000 2.533 179 G HA2 0.619 4.609 3.960 0.051 0.000 0.304 179 G HA3 0.619 4.609 3.960 0.051 0.000 0.304 179 G C -2.098 172.827 174.900 0.043 0.000 1.263 179 G CA -1.193 43.791 45.100 -0.193 0.000 0.964 179 G HN 0.683 nan 8.290 nan 0.000 0.479 180 V N 1.107 120.995 119.914 -0.044 0.000 2.531 180 V HA 0.480 4.630 4.120 0.051 0.000 0.301 180 V C -0.439 175.698 176.094 0.071 0.000 1.034 180 V CA -0.538 61.761 62.300 -0.001 0.000 0.865 180 V CB 1.537 33.238 31.823 -0.204 0.000 0.995 180 V HN 0.590 nan 8.190 nan 0.000 0.424 181 L N 4.605 125.918 121.223 0.150 0.000 2.325 181 L HA 0.606 4.977 4.340 0.051 0.000 0.281 181 L C -0.155 176.759 176.870 0.073 0.000 1.004 181 L CA -0.392 54.502 54.840 0.090 0.000 0.823 181 L CB 1.755 43.800 42.059 -0.024 0.000 1.236 181 L HN 0.546 nan 8.230 nan 0.000 0.415 182 E N 4.332 124.428 120.200 -0.173 0.000 2.166 182 E HA 0.479 4.859 4.350 0.051 0.000 0.275 182 E C -0.850 175.696 176.600 -0.091 0.000 0.941 182 E CA -0.720 55.499 56.400 -0.303 0.000 0.784 182 E CB 2.910 31.895 29.700 -1.192 0.000 1.115 182 E HN 0.262 nan 8.360 nan 0.000 0.399 183 I N 2.408 123.041 120.570 0.105 0.000 2.404 183 I HA 0.268 4.469 4.170 0.051 0.000 0.293 183 I C -0.083 176.179 176.117 0.242 0.000 0.992 183 I CA -0.795 60.626 61.300 0.202 0.000 1.149 183 I CB 1.336 39.483 38.000 0.244 0.000 1.315 183 I HN 0.406 nan 8.210 nan 0.000 0.446 184 Q N 4.166 124.141 119.800 0.290 0.000 2.285 184 Q HA 0.536 4.906 4.340 0.051 0.000 0.269 184 Q C -0.163 175.985 176.000 0.246 0.000 1.030 184 Q CA -0.502 55.476 55.803 0.292 0.000 0.788 184 Q CB 2.099 31.072 28.738 0.392 0.000 1.266 184 Q HN 0.895 nan 8.270 nan 0.000 0.438 185 T N 0.834 115.527 114.554 0.232 0.000 2.281 185 T HA 0.729 5.109 4.350 0.051 0.000 0.180 185 T C -0.336 174.516 174.700 0.254 0.000 0.683 185 T CA -0.228 62.007 62.100 0.225 0.000 1.735 185 T CB 0.213 69.212 68.868 0.219 0.000 3.036 185 T HN 0.526 nan 8.240 nan 0.000 0.399 186 M N 2.555 122.326 119.600 0.285 0.000 2.365 186 M HA 0.407 4.918 4.480 0.051 0.000 0.288 186 M C -2.325 174.168 176.300 0.322 0.000 1.152 186 M CA -0.868 54.608 55.300 0.294 0.000 0.948 186 M CB 2.083 34.920 32.600 0.395 0.000 1.729 186 M HN 0.809 nan 8.290 nan 0.000 0.487 187 D N 2.394 122.924 120.400 0.217 0.000 2.385 187 D HA 0.567 5.237 4.640 0.051 0.000 0.254 187 D C -1.181 175.247 176.300 0.214 0.000 1.053 187 D CA -0.096 54.047 54.000 0.238 0.000 0.992 187 D CB 1.516 42.376 40.800 0.100 0.000 1.145 187 D HN 0.510 nan 8.370 nan 0.000 0.523 188 F N -1.099 118.826 119.950 -0.042 0.000 2.640 188 F HA 0.274 4.831 4.527 0.049 0.000 0.324 188 F C 0.792 176.509 175.800 -0.139 0.000 1.077 188 F CA -1.024 56.956 58.000 -0.033 0.000 0.965 188 F CB 1.922 41.027 39.000 0.176 0.000 1.351 188 F HN 0.200 nan 8.300 nan 0.000 0.487 189 H N 0.396 119.530 119.070 0.106 0.000 2.547 189 H HA 0.415 5.002 4.556 0.052 0.000 0.362 189 H C 0.647 176.031 175.328 0.094 0.000 1.181 189 H CA 0.591 56.673 56.048 0.056 0.000 1.376 189 H CB 0.880 30.646 29.762 0.008 0.000 1.488 189 H HN 0.822 nan 8.280 nan 0.000 0.583 190 G N 0.892 109.788 108.800 0.160 0.000 2.564 190 G HA2 -0.276 3.715 3.960 0.051 0.000 0.273 190 G HA3 -0.276 3.715 3.960 0.051 0.000 0.273 190 G C -0.051 174.865 174.900 0.027 0.000 1.242 190 G CA 0.293 45.458 45.100 0.107 0.000 0.951 190 G HN 0.736 nan 8.290 nan 0.000 0.564 191 S N -2.027 113.709 115.700 0.060 0.000 2.632 191 S HA 0.729 5.229 4.470 0.051 0.000 0.289 191 S C 0.224 174.897 174.600 0.122 0.000 1.115 191 S CA -0.055 58.125 58.200 -0.033 0.000 0.889 191 S CB 1.262 64.471 63.200 0.015 0.000 1.116 191 S HN 0.736 nan 8.310 nan 0.000 0.486 192 Y N 1.326 121.646 120.300 0.032 0.000 2.458 192 Y HA 0.398 4.978 4.550 0.049 0.000 0.254 192 Y C 2.066 177.969 175.900 0.004 0.000 1.120 192 Y CA -0.467 57.644 58.100 0.017 0.000 1.282 192 Y CB -0.565 37.888 38.460 -0.012 0.000 1.109 192 Y HN 0.656 nan 8.280 nan 0.000 0.526 193 K N 0.546 120.975 120.400 0.049 0.000 2.049 193 K HA -0.305 4.045 4.320 0.051 0.000 0.219 193 K C 1.393 177.923 176.600 -0.117 0.000 1.056 193 K CA 2.664 58.883 56.287 -0.113 0.000 0.946 193 K CB -0.244 32.056 32.500 -0.334 0.000 0.723 193 K HN 0.462 nan 8.250 nan 0.000 0.453 194 H N -0.961 118.154 119.070 0.076 0.000 2.389 194 H HA -0.003 4.584 4.556 0.051 0.000 0.299 194 H C 1.909 177.276 175.328 0.064 0.000 1.081 194 H CA 1.281 57.366 56.048 0.062 0.000 1.345 194 H CB -0.090 29.701 29.762 0.048 0.000 1.393 194 H HN 0.381 nan 8.280 nan 0.000 0.520 195 A N 0.546 123.473 122.820 0.178 0.000 1.897 195 A HA -0.080 4.271 4.320 0.051 0.000 0.215 195 A C 2.495 180.125 177.584 0.076 0.000 1.181 195 A CA 1.280 53.382 52.037 0.107 0.000 0.620 195 A CB -0.688 18.350 19.000 0.063 0.000 0.821 195 A HN 0.237 nan 8.150 nan 0.000 0.443 196 V N -0.038 119.927 119.914 0.085 0.000 2.295 196 V HA -0.172 3.978 4.120 0.051 0.000 0.246 196 V C 2.793 178.934 176.094 0.078 0.000 1.049 196 V CA 2.025 64.374 62.300 0.082 0.000 1.024 196 V CB -1.341 30.565 31.823 0.139 0.000 0.648 196 V HN 0.597 nan 8.190 nan 0.000 0.447 197 G N -0.760 108.083 108.800 0.071 0.000 2.443 197 G HA2 -0.116 3.874 3.960 0.051 0.000 0.219 197 G HA3 -0.116 3.874 3.960 0.051 0.000 0.219 197 G C 1.672 176.613 174.900 0.069 0.000 1.131 197 G CA 0.917 46.054 45.100 0.062 0.000 0.775 197 G HN 0.604 nan 8.290 nan 0.000 0.547 198 A N 0.997 123.875 122.820 0.097 0.000 1.968 198 A HA 0.150 4.501 4.320 0.051 0.000 0.217 198 A C 2.327 179.990 177.584 0.131 0.000 1.169 198 A CA 1.301 53.414 52.037 0.127 0.000 0.638 198 A CB -0.273 18.831 19.000 0.173 0.000 0.812 198 A HN 0.712 nan 8.150 nan 0.000 0.446 199 I N -4.171 116.473 120.570 0.123 0.000 3.228 199 I HA 0.107 4.308 4.170 0.051 0.000 0.279 199 I C 1.597 177.753 176.117 0.065 0.000 1.221 199 I CA 1.223 62.618 61.300 0.158 0.000 1.458 199 I CB -0.066 38.029 38.000 0.158 0.000 1.105 199 I HN 0.020 nan 8.210 nan 0.000 0.445 200 D N 2.485 122.906 120.400 0.035 0.000 2.117 200 D HA -0.178 4.493 4.640 0.051 0.000 0.198 200 D C 2.119 178.402 176.300 -0.030 0.000 0.982 200 D CA 2.021 56.042 54.000 0.036 0.000 0.828 200 D CB -0.143 40.710 40.800 0.088 0.000 0.967 200 D HN 0.679 nan 8.370 nan 0.000 0.464 201 I N -2.019 118.529 120.570 -0.037 0.000 2.676 201 I HA 0.043 4.243 4.170 0.051 0.000 0.259 201 I C 2.079 178.110 176.117 -0.145 0.000 1.194 201 I CA 1.013 62.271 61.300 -0.070 0.000 1.473 201 I CB -0.287 37.684 38.000 -0.048 0.000 1.096 201 I HN -0.089 nan 8.210 nan 0.000 0.443 202 A N 1.368 124.061 122.820 -0.210 0.000 2.021 202 A HA 0.099 4.449 4.320 0.051 0.000 0.216 202 A C 2.320 179.847 177.584 -0.094 0.000 1.163 202 A CA 0.746 52.580 52.037 -0.339 0.000 0.676 202 A CB -0.512 17.991 19.000 -0.828 0.000 0.818 202 A HN 0.537 nan 8.150 nan 0.000 0.453 203 L N 0.110 121.208 121.223 -0.208 0.000 2.044 203 L HA -0.105 4.266 4.340 0.051 0.000 0.205 203 L C 2.439 179.192 176.870 -0.196 0.000 1.075 203 L CA 1.844 56.421 54.840 -0.438 0.000 0.747 203 L CB -0.012 41.722 42.059 -0.542 0.000 0.903 203 L HN 0.353 nan 8.230 nan 0.000 0.435 204 V N -4.182 115.655 119.914 -0.129 0.000 2.581 204 V HA 0.017 4.168 4.120 0.051 0.000 0.240 204 V C 1.867 177.925 176.094 -0.060 0.000 1.054 204 V CA 0.850 63.102 62.300 -0.080 0.000 1.076 204 V CB -0.654 31.133 31.823 -0.060 0.000 0.748 204 V HN 0.338 nan 8.190 nan 0.000 0.474 205 E N 1.425 121.585 120.200 -0.066 0.000 2.371 205 E HA 0.266 4.647 4.350 0.051 0.000 0.194 205 E C 1.202 177.767 176.600 -0.059 0.000 1.012 205 E CA 0.609 56.977 56.400 -0.055 0.000 0.860 205 E CB 0.131 29.799 29.700 -0.053 0.000 0.811 205 E HN 0.729 nan 8.360 nan 0.000 0.502 206 G N 1.074 109.826 108.800 -0.080 0.000 2.489 206 G HA2 0.559 4.550 3.960 0.051 0.000 0.327 206 G HA3 0.559 4.550 3.960 0.051 0.000 0.327 206 G C -0.341 174.549 174.900 -0.018 0.000 1.189 206 G CA -0.817 44.238 45.100 -0.076 0.000 0.962 206 G HN 0.119 nan 8.290 nan 0.000 0.486 207 I N -2.149 118.427 120.570 0.010 0.000 2.676 207 I HA 0.659 4.859 4.170 0.051 0.000 0.309 207 I C -0.281 175.898 176.117 0.103 0.000 0.990 207 I CA -0.703 60.630 61.300 0.054 0.000 1.168 207 I CB 1.809 39.837 38.000 0.046 0.000 1.343 207 I HN 0.478 nan 8.210 nan 0.000 0.482 208 D N 2.633 123.117 120.400 0.141 0.000 3.278 208 D HA -0.292 4.379 4.640 0.051 0.000 0.233 208 D C -0.036 176.426 176.300 0.270 0.000 1.149 208 D CA 0.619 54.735 54.000 0.193 0.000 0.957 208 D CB -0.480 40.408 40.800 0.147 0.000 0.913 208 D HN 0.662 nan 8.370 nan 0.000 0.409 209 F N 2.885 122.930 119.950 0.159 0.000 2.146 209 F HA -0.061 4.497 4.527 0.051 0.000 0.298 209 F C 2.088 178.003 175.800 0.192 0.000 1.096 209 F CA 1.670 59.751 58.000 0.135 0.000 1.275 209 F CB -0.080 38.950 39.000 0.049 0.000 1.008 209 F HN 0.527 nan 8.300 nan 0.000 0.480 210 H N -1.084 118.060 119.070 0.122 0.000 2.389 210 H HA -0.016 4.571 4.556 0.050 0.000 0.299 210 H C 2.419 177.741 175.328 -0.009 0.000 1.081 210 H CA 1.110 57.162 56.048 0.006 0.000 1.345 210 H CB -0.809 29.002 29.762 0.082 0.000 1.393 210 H HN 0.418 nan 8.280 nan 0.000 0.520 211 G N -0.110 108.800 108.800 0.182 0.000 2.471 211 G HA2 -0.247 3.744 3.960 0.051 0.000 0.219 211 G HA3 -0.247 3.744 3.960 0.051 0.000 0.219 211 G C 1.538 176.499 174.900 0.101 0.000 1.125 211 G CA 0.246 45.416 45.100 0.116 0.000 0.775 211 G HN 0.493 nan 8.290 nan 0.000 0.548 212 W N 0.654 121.898 121.300 -0.093 0.000 2.737 212 W HA 0.283 4.973 4.660 0.050 0.000 0.262 212 W C 1.943 178.359 176.519 -0.171 0.000 1.282 212 W CA 0.113 57.390 57.345 -0.113 0.000 1.386 212 W CB 0.073 29.475 29.460 -0.097 0.000 1.099 212 W HN 0.083 nan 8.180 nan 0.000 0.621 213 L N 1.893 122.979 121.223 -0.227 0.000 2.056 213 L HA -0.104 4.267 4.340 0.051 0.000 0.207 213 L C -0.271 176.399 176.870 -0.334 0.000 1.078 213 L CA 1.001 55.619 54.840 -0.371 0.000 0.749 213 L CB -1.993 39.888 42.059 -0.296 0.000 0.901 213 L HN -0.115 nan 8.230 nan 0.000 0.433 214 P HA -0.036 nan 4.420 nan 0.000 0.245 214 P C 0.717 177.898 177.300 -0.198 0.000 1.212 214 P CA 0.684 63.677 63.100 -0.178 0.000 0.774 214 P CB -0.180 31.449 31.700 -0.118 0.000 0.999 215 T N 1.643 116.026 114.554 -0.285 0.000 2.898 215 T HA 0.159 4.539 4.350 0.051 0.000 0.301 215 T C -1.308 173.243 174.700 -0.250 0.000 1.049 215 T CA -1.747 60.199 62.100 -0.258 0.000 1.095 215 T CB 0.453 69.144 68.868 -0.296 0.000 0.976 215 T HN -0.105 nan 8.240 nan 0.000 0.539 216 P HA -0.209 nan 4.420 nan 0.000 0.217 216 P C 1.214 178.436 177.300 -0.129 0.000 1.158 216 P CA 1.872 64.913 63.100 -0.099 0.000 0.887 216 P CB -0.172 31.493 31.700 -0.058 0.000 0.792 217 A N -0.299 122.413 122.820 -0.181 0.000 1.933 217 A HA -0.041 4.309 4.320 0.051 0.000 0.218 217 A C 2.597 179.969 177.584 -0.354 0.000 1.175 217 A CA 2.075 54.011 52.037 -0.170 0.000 0.628 217 A CB -1.746 17.208 19.000 -0.078 0.000 0.814 217 A HN 0.319 nan 8.150 nan 0.000 0.444 218 G N -0.727 107.608 108.800 -0.776 0.000 2.394 218 G HA2 -0.167 3.823 3.960 0.051 0.000 0.215 218 G HA3 -0.167 3.823 3.960 0.051 0.000 0.215 218 G C 1.733 176.375 174.900 -0.429 0.000 1.165 218 G CA 0.682 45.091 45.100 -1.151 0.000 0.784 218 G HN 0.531 nan 8.290 nan 0.000 0.535 219 R N 0.414 120.776 120.500 -0.230 0.000 2.189 219 R HA 0.083 4.454 4.340 0.051 0.000 0.223 219 R C 2.825 179.207 176.300 0.138 0.000 1.092 219 R CA 0.874 57.002 56.100 0.047 0.000 0.989 219 R CB -0.171 30.177 30.300 0.080 0.000 0.876 219 R HN 0.363 nan 8.270 nan 0.000 0.457 220 A N 0.750 123.576 122.820 0.009 0.000 2.016 220 A HA 0.047 4.397 4.320 0.051 0.000 0.217 220 A C 2.223 179.810 177.584 0.005 0.000 1.162 220 A CA 1.253 53.293 52.037 0.005 0.000 0.662 220 A CB -0.217 18.781 19.000 -0.004 0.000 0.812 220 A HN 0.347 nan 8.150 nan 0.000 0.450 221 A N -0.485 122.344 122.820 0.016 0.000 1.898 221 A HA 0.116 4.467 4.320 0.051 0.000 0.214 221 A C 1.824 179.450 177.584 0.071 0.000 1.183 221 A CA 1.126 53.221 52.037 0.097 0.000 0.622 221 A CB -0.374 18.785 19.000 0.265 0.000 0.824 221 A HN 0.338 nan 8.150 nan 0.000 0.444 222 L N 0.874 122.129 121.223 0.054 0.000 2.353 222 L HA -0.075 4.296 4.340 0.051 0.000 0.220 222 L C 2.144 178.999 176.870 -0.026 0.000 1.133 222 L CA 2.217 57.091 54.840 0.057 0.000 0.798 222 L CB -1.072 41.073 42.059 0.145 0.000 0.922 222 L HN 0.619 nan 8.230 nan 0.000 0.445 223 S N -2.602 113.027 115.700 -0.118 0.000 2.578 223 S HA 0.061 4.561 4.470 0.051 0.000 0.231 223 S C 0.829 175.311 174.600 -0.197 0.000 0.994 223 S CA -0.440 57.542 58.200 -0.363 0.000 0.956 223 S CB 0.107 62.831 63.200 -0.793 0.000 0.870 223 S HN 0.189 nan 8.310 nan 0.000 0.494 224 K N 2.835 123.194 120.400 -0.070 0.000 2.395 224 K HA 0.057 4.407 4.320 0.051 0.000 0.283 224 K C -0.239 176.365 176.600 0.006 0.000 1.068 224 K CA 0.147 56.423 56.287 -0.019 0.000 1.039 224 K CB -0.089 32.440 32.500 0.049 0.000 0.924 224 K HN 0.253 nan 8.250 nan 0.000 0.468 225 K N 2.632 123.007 120.400 -0.043 0.000 3.016 225 K HA -0.195 4.156 4.320 0.051 0.000 0.262 225 K C -0.263 176.369 176.600 0.053 0.000 1.043 225 K CA 0.669 56.941 56.287 -0.025 0.000 0.761 225 K CB -0.871 31.572 32.500 -0.095 0.000 1.230 225 K HN 0.583 nan 8.250 nan 0.000 0.485 226 M N 1.366 120.972 119.600 0.009 0.000 2.162 226 M HA 0.174 4.684 4.480 0.051 0.000 0.356 226 M C 0.714 177.056 176.300 0.070 0.000 1.303 226 M CA 0.797 56.128 55.300 0.051 0.000 1.116 226 M CB 0.735 33.293 32.600 -0.069 0.000 1.632 226 M HN 0.077 nan 8.290 nan 0.000 0.469 227 E N 0.872 121.191 120.200 0.198 0.000 2.518 227 E HA 0.704 5.084 4.350 0.051 0.000 0.248 227 E C 0.326 177.106 176.600 0.300 0.000 1.028 227 E CA -0.840 55.670 56.400 0.184 0.000 0.922 227 E CB 1.085 30.890 29.700 0.175 0.000 1.299 227 E HN 0.773 nan 8.360 nan 0.000 0.457 228 G N 0.739 109.605 108.800 0.111 0.000 2.502 228 G HA2 0.386 4.377 3.960 0.051 0.000 0.305 228 G HA3 0.386 4.377 3.960 0.051 0.000 0.305 228 G C -2.459 172.130 174.900 -0.519 0.000 1.190 228 G CA -1.195 43.853 45.100 -0.087 0.000 0.933 228 G HN 0.226 nan 8.290 nan 0.000 0.503 229 P HA 0.066 nan 4.420 nan 0.000 0.271 229 P C -0.567 176.311 177.300 -0.703 0.000 1.218 229 P CA -0.504 61.567 63.100 -1.715 0.000 0.780 229 P CB 0.967 31.474 31.700 -1.988 0.000 0.901 230 N N 2.241 120.586 118.700 -0.592 0.000 3.124 230 N HA 0.103 4.874 4.740 0.051 0.000 0.284 230 N C 1.200 176.600 175.510 -0.184 0.000 1.209 230 N CA -0.066 52.775 53.050 -0.347 0.000 1.149 230 N CB -0.899 37.362 38.487 -0.377 0.000 1.434 230 N HN 0.327 nan 8.380 nan 0.000 0.529 231 L N -0.428 120.705 121.223 -0.150 0.000 1.976 231 L HA -0.153 4.217 4.340 0.051 0.000 0.209 231 L C 2.205 179.142 176.870 0.112 0.000 1.071 231 L CA 1.052 55.871 54.840 -0.036 0.000 0.746 231 L CB -0.628 41.413 42.059 -0.031 0.000 0.890 231 L HN 0.367 nan 8.230 nan 0.000 0.432 232 S N -0.131 115.640 115.700 0.118 0.000 2.402 232 S HA -0.189 4.312 4.470 0.051 0.000 0.229 232 S C 1.783 176.441 174.600 0.097 0.000 1.021 232 S CA 1.583 59.876 58.200 0.155 0.000 0.974 232 S CB -0.340 62.965 63.200 0.174 0.000 0.800 232 S HN 0.445 nan 8.310 nan 0.000 0.484 233 N N 0.913 119.647 118.700 0.057 0.000 2.061 233 N HA -0.104 4.666 4.740 0.051 0.000 0.193 233 N C 1.535 177.093 175.510 0.079 0.000 1.030 233 N CA 2.008 55.081 53.050 0.039 0.000 0.856 233 N CB -0.539 37.938 38.487 -0.017 0.000 1.023 233 N HN 0.253 nan 8.380 nan 0.000 0.424 234 V N -0.038 119.953 119.914 0.129 0.000 2.358 234 V HA -0.159 3.991 4.120 0.051 0.000 0.246 234 V C 1.941 178.188 176.094 0.254 0.000 1.047 234 V CA 1.642 64.078 62.300 0.228 0.000 1.035 234 V CB -0.804 31.199 31.823 0.300 0.000 0.658 234 V HN 0.340 nan 8.190 nan 0.000 0.452 235 F N 1.048 121.015 119.950 0.029 0.000 2.134 235 F HA -0.184 4.375 4.527 0.053 0.000 0.299 235 F C 2.341 177.993 175.800 -0.247 0.000 1.097 235 F CA 1.857 59.630 58.000 -0.378 0.000 1.264 235 F CB -0.185 38.229 39.000 -0.977 0.000 1.001 235 F HN 0.022 nan 8.300 nan 0.000 0.479 236 K N -0.020 120.365 120.400 -0.026 0.000 2.009 236 K HA -0.201 4.150 4.320 0.051 0.000 0.210 236 K C 2.178 178.773 176.600 -0.009 0.000 1.049 236 K CA 2.024 58.312 56.287 0.001 0.000 0.929 236 K CB -0.268 32.262 32.500 0.051 0.000 0.714 236 K HN 0.229 nan 8.250 nan 0.000 0.440 237 R N -0.027 120.486 120.500 0.021 0.000 2.092 237 R HA -0.065 4.305 4.340 0.051 0.000 0.231 237 R C 2.297 178.649 176.300 0.087 0.000 1.119 237 R CA 1.745 57.887 56.100 0.070 0.000 0.970 237 R CB -0.275 30.081 30.300 0.092 0.000 0.864 237 R HN 0.232 nan 8.270 nan 0.000 0.440 238 T N 0.527 115.090 114.554 0.015 0.000 2.894 238 T HA -0.055 4.325 4.350 0.051 0.000 0.258 238 T C 1.393 175.925 174.700 -0.280 0.000 1.043 238 T CA 0.692 62.801 62.100 0.015 0.000 1.141 238 T CB -0.299 68.705 68.868 0.227 0.000 0.873 238 T HN 0.186 nan 8.240 nan 0.000 0.449 239 F N 1.268 120.773 119.950 -0.743 0.000 2.065 239 F HA -0.272 4.286 4.527 0.052 0.000 0.298 239 F C 2.208 177.785 175.800 -0.372 0.000 1.112 239 F CA 1.487 58.997 58.000 -0.818 0.000 1.212 239 F CB -0.459 37.813 39.000 -1.214 0.000 0.975 239 F HN 0.184 nan 8.300 nan 0.000 0.476 240 Y N 1.226 121.285 120.300 -0.401 0.000 2.128 240 Y HA -0.322 4.257 4.550 0.050 0.000 0.284 240 Y C 2.531 178.302 175.900 -0.214 0.000 1.154 240 Y CA 2.292 60.214 58.100 -0.297 0.000 1.149 240 Y CB -0.569 37.864 38.460 -0.044 0.000 0.976 240 Y HN 0.249 nan 8.280 nan 0.000 0.505 241 Q N -0.441 119.265 119.800 -0.155 0.000 2.119 241 Q HA -0.202 4.168 4.340 0.051 0.000 0.201 241 Q C 2.327 178.126 176.000 -0.336 0.000 0.972 241 Q CA 1.732 57.476 55.803 -0.099 0.000 0.847 241 Q CB -0.144 28.745 28.738 0.253 0.000 0.903 241 Q HN 0.593 nan 8.270 nan 0.000 0.433 242 M N 0.122 119.263 119.600 -0.764 0.000 2.066 242 M HA -0.177 4.334 4.480 0.051 0.000 0.259 242 M C 2.445 178.236 176.300 -0.849 0.000 1.074 242 M CA 1.624 56.131 55.300 -1.322 0.000 1.114 242 M CB -0.420 31.475 32.600 -1.176 0.000 1.306 242 M HN 0.262 nan 8.290 nan 0.000 0.411 243 A N -0.746 121.659 122.820 -0.693 0.000 1.917 243 A HA -0.255 4.096 4.320 0.051 0.000 0.219 243 A C 2.002 179.371 177.584 -0.358 0.000 1.182 243 A CA 1.750 53.500 52.037 -0.479 0.000 0.633 243 A CB -1.203 17.396 19.000 -0.667 0.000 0.819 243 A HN 0.608 nan 8.150 nan 0.000 0.448 244 Y N -0.043 119.908 120.300 -0.582 0.000 2.153 244 Y HA -0.111 4.470 4.550 0.051 0.000 0.289 244 Y C 2.400 178.044 175.900 -0.428 0.000 1.127 244 Y CA 2.060 59.832 58.100 -0.548 0.000 1.131 244 Y CB -0.025 37.927 38.460 -0.846 0.000 0.995 244 Y HN 0.223 nan 8.280 nan 0.000 0.505 245 K N -0.556 119.734 120.400 -0.183 0.000 2.217 245 K HA -0.098 4.253 4.320 0.051 0.000 0.202 245 K C 1.796 178.439 176.600 0.071 0.000 1.051 245 K CA 1.160 57.423 56.287 -0.040 0.000 0.952 245 K CB -0.246 32.290 32.500 0.060 0.000 0.736 245 K HN 0.329 nan 8.250 nan 0.000 0.453 246 F N 0.739 120.691 119.950 0.003 0.000 2.186 246 F HA -0.178 4.380 4.527 0.051 0.000 0.299 246 F C 2.489 178.250 175.800 -0.065 0.000 1.090 246 F CA 0.302 58.289 58.000 -0.023 0.000 1.307 246 F CB -0.087 38.865 39.000 -0.079 0.000 1.019 246 F HN 0.076 nan 8.300 nan 0.000 0.489 247 A N -0.005 122.851 122.820 0.060 0.000 1.930 247 A HA -0.154 4.197 4.320 0.051 0.000 0.217 247 A C 1.903 179.477 177.584 -0.017 0.000 1.175 247 A CA 1.220 53.232 52.037 -0.042 0.000 0.627 247 A CB -0.796 18.093 19.000 -0.185 0.000 0.815 247 A HN 0.261 nan 8.150 nan 0.000 0.443 248 L N -0.257 120.970 121.223 0.006 0.000 2.191 248 L HA -0.063 4.308 4.340 0.051 0.000 0.212 248 L C 2.656 179.595 176.870 0.114 0.000 1.103 248 L CA 1.897 56.782 54.840 0.076 0.000 0.769 248 L CB -0.842 41.297 42.059 0.133 0.000 0.908 248 L HN 0.410 nan 8.230 nan 0.000 0.438 249 S N -0.673 115.089 115.700 0.103 0.000 2.447 249 S HA -0.091 4.410 4.470 0.051 0.000 0.233 249 S C 2.092 176.712 174.600 0.034 0.000 1.006 249 S CA 0.894 59.132 58.200 0.063 0.000 0.957 249 S CB -0.381 62.879 63.200 0.101 0.000 0.773 249 S HN 0.543 nan 8.310 nan 0.000 0.507 250 G N -0.007 108.820 108.800 0.045 0.000 2.479 250 G HA2 -0.165 3.826 3.960 0.051 0.000 0.220 250 G HA3 -0.165 3.826 3.960 0.051 0.000 0.220 250 G C 0.482 175.408 174.900 0.044 0.000 1.115 250 G CA 0.454 45.568 45.100 0.022 0.000 0.757 250 G HN 0.685 nan 8.290 nan 0.000 0.560 251 H N -0.177 118.892 119.070 -0.002 0.000 3.064 251 H HA 0.360 4.946 4.556 0.051 0.000 0.329 251 H C 1.832 177.152 175.328 -0.014 0.000 1.020 251 H CA 1.061 57.121 56.048 0.021 0.000 1.402 251 H CB 0.784 30.599 29.762 0.088 0.000 1.379 251 H HN 0.188 nan 8.280 nan 0.000 0.594 252 Q N 5.009 124.494 119.800 -0.525 0.000 2.170 252 Q HA -0.088 4.283 4.340 0.051 0.000 0.203 252 Q C 1.925 177.775 176.000 -0.249 0.000 0.976 252 Q CA 1.641 57.250 55.803 -0.324 0.000 0.858 252 Q CB -0.256 28.319 28.738 -0.272 0.000 0.907 252 Q HN 0.731 nan 8.270 nan 0.000 0.433 253 R N -1.043 119.277 120.500 -0.298 0.000 2.297 253 R HA 0.138 4.509 4.340 0.051 0.000 0.197 253 R C 0.249 176.484 176.300 -0.109 0.000 0.943 253 R CA 0.129 56.249 56.100 0.032 0.000 1.038 253 R CB -0.617 29.885 30.300 0.336 0.000 0.957 253 R HN 0.548 nan 8.270 nan 0.000 0.484 254 C N 1.078 120.208 119.300 -0.283 0.000 2.265 254 C HA 0.520 5.011 4.460 0.051 0.000 0.332 254 C C 1.864 176.624 174.990 -0.382 0.000 1.248 254 C CA -0.615 57.971 59.018 -0.721 0.000 1.727 254 C CB 0.338 27.726 27.740 -0.586 0.000 2.348 254 C HN 0.544 nan 8.230 nan 0.000 0.519 255 A N 4.471 127.055 122.820 -0.394 0.000 1.898 255 A HA 0.479 4.830 4.320 0.051 0.000 0.216 255 A C 1.171 178.581 177.584 -0.291 0.000 1.181 255 A CA 1.288 53.140 52.037 -0.309 0.000 0.620 255 A CB -0.551 18.190 19.000 -0.431 0.000 0.819 255 A HN 1.764 nan 8.150 nan 0.000 0.442 256 G N -2.664 105.938 108.800 -0.330 0.000 2.361 256 G HA2 0.482 4.472 3.960 0.051 0.000 0.299 256 G HA3 0.482 4.472 3.960 0.051 0.000 0.299 256 G C -0.716 174.131 174.900 -0.088 0.000 1.544 256 G CA 0.003 45.017 45.100 -0.143 0.000 0.860 256 G HN 0.884 nan 8.290 nan 0.000 0.610 257 T N -1.606 113.020 114.554 0.120 0.000 2.841 257 T HA 0.841 5.222 4.350 0.051 0.000 0.283 257 T C 0.221 175.202 174.700 0.469 0.000 1.000 257 T CA -0.058 62.187 62.100 0.241 0.000 0.977 257 T CB 2.120 71.168 68.868 0.300 0.000 0.979 257 T HN 1.782 nan 8.240 nan 0.000 0.446 258 G N 1.477 110.530 108.800 0.422 0.000 2.542 258 G HA2 0.654 4.645 3.960 0.051 0.000 0.311 258 G HA3 0.654 4.645 3.960 0.051 0.000 0.311 258 G C -1.570 173.618 174.900 0.480 0.000 1.298 258 G CA -0.880 44.535 45.100 0.526 0.000 0.973 258 G HN 0.671 nan 8.290 nan 0.000 0.487 259 F N 1.380 121.556 119.950 0.377 0.000 2.426 259 F HA 0.582 5.149 4.527 0.066 0.000 0.348 259 F C 0.664 176.699 175.800 0.391 0.000 1.124 259 F CA -0.578 57.630 58.000 0.347 0.000 1.008 259 F CB 2.398 41.592 39.000 0.324 0.000 1.139 259 F HN 0.584 nan 8.300 nan 0.000 0.452 260 A N 6.419 129.535 122.820 0.493 0.000 2.249 260 A HA 0.801 5.152 4.320 0.051 0.000 0.314 260 A C -0.641 177.238 177.584 0.492 0.000 1.290 260 A CA -0.504 51.868 52.037 0.559 0.000 0.893 260 A CB 0.081 19.369 19.000 0.480 0.000 1.165 260 A HN 0.776 nan 8.150 nan 0.000 0.530 261 I N 0.116 120.827 120.570 0.234 0.000 2.686 261 I HA 0.656 4.857 4.170 0.051 0.000 0.295 261 I C -3.063 172.486 176.117 -0.947 0.000 1.114 261 I CA -2.974 58.212 61.300 -0.191 0.000 1.038 261 I CB 2.496 40.383 38.000 -0.189 0.000 1.238 261 I HN 0.222 nan 8.210 nan 0.000 0.420 262 P HA 0.206 nan 4.420 nan 0.000 0.272 262 P C 0.677 177.638 177.300 -0.566 0.000 1.223 262 P CA 0.086 62.560 63.100 -1.044 0.000 0.784 262 P CB 0.881 32.266 31.700 -0.525 0.000 0.923 263 Q N 1.898 121.416 119.800 -0.469 0.000 2.112 263 Q HA -0.260 4.110 4.340 0.051 0.000 0.206 263 Q C 2.192 178.032 176.000 -0.266 0.000 0.987 263 Q CA 2.976 58.598 55.803 -0.302 0.000 0.858 263 Q CB -2.212 26.254 28.738 -0.454 0.000 0.905 263 Q HN 0.650 nan 8.270 nan 0.000 0.420 264 S N 0.358 115.797 115.700 -0.435 0.000 2.365 264 S HA -0.214 4.286 4.470 0.051 0.000 0.225 264 S C 2.189 176.442 174.600 -0.578 0.000 1.039 264 S CA 2.591 60.307 58.200 -0.806 0.000 1.033 264 S CB -1.280 61.045 63.200 -1.459 0.000 0.887 264 S HN 1.418 nan 8.310 nan 0.000 0.447 265 V N -1.409 118.328 119.914 -0.294 0.000 2.667 265 V HA 0.031 4.182 4.120 0.051 0.000 0.252 265 V C 2.110 177.893 176.094 -0.517 0.000 1.065 265 V CA 1.213 63.407 62.300 -0.176 0.000 1.083 265 V CB -1.334 30.374 31.823 -0.191 0.000 0.692 265 V HN 0.758 nan 8.190 nan 0.000 0.468 266 W N 1.975 122.947 121.300 -0.547 0.000 2.388 266 W HA -0.145 4.546 4.660 0.051 0.000 0.294 266 W C 2.470 178.925 176.519 -0.106 0.000 1.212 266 W CA 2.504 59.639 57.345 -0.350 0.000 1.271 266 W CB -0.127 29.213 29.460 -0.200 0.000 1.126 266 W HN 0.405 nan 8.180 nan 0.000 0.535 267 K N 0.857 121.116 120.400 -0.235 0.000 2.147 267 K HA -0.194 4.157 4.320 0.051 0.000 0.205 267 K C 1.918 178.390 176.600 -0.214 0.000 1.049 267 K CA 2.216 58.342 56.287 -0.268 0.000 0.936 267 K CB -1.477 30.898 32.500 -0.210 0.000 0.722 267 K HN 0.401 nan 8.250 nan 0.000 0.446 268 S N -1.356 114.271 115.700 -0.121 0.000 2.481 268 S HA -0.085 4.416 4.470 0.051 0.000 0.231 268 S C 1.722 176.454 174.600 0.220 0.000 0.996 268 S CA 0.723 58.958 58.200 0.058 0.000 0.942 268 S CB -0.392 62.919 63.200 0.184 0.000 0.768 268 S HN 0.676 nan 8.310 nan 0.000 0.520 269 W N 1.606 122.816 121.300 -0.150 0.000 3.003 269 W HA 0.465 5.153 4.660 0.047 0.000 0.257 269 W C 1.751 178.049 176.519 -0.368 0.000 1.308 269 W CA -1.067 56.161 57.345 -0.194 0.000 1.529 269 W CB -0.747 28.686 29.460 -0.044 0.000 1.115 269 W HN 0.308 nan 8.180 nan 0.000 0.659 270 L N 0.674 121.750 121.223 -0.244 0.000 2.046 270 L HA -0.222 4.148 4.340 0.051 0.000 0.208 270 L C 2.695 179.433 176.870 -0.219 0.000 1.077 270 L CA 1.915 56.571 54.840 -0.307 0.000 0.747 270 L CB -0.796 41.079 42.059 -0.307 0.000 0.896 270 L HN -0.005 nan 8.230 nan 0.000 0.432 271 R N -1.102 119.272 120.500 -0.209 0.000 2.148 271 R HA -0.134 4.236 4.340 0.051 0.000 0.227 271 R C 1.927 177.993 176.300 -0.390 0.000 1.103 271 R CA 1.146 57.089 56.100 -0.263 0.000 0.983 271 R CB -0.619 29.524 30.300 -0.261 0.000 0.874 271 R HN 0.441 nan 8.270 nan 0.000 0.451 272 H N 0.654 119.446 119.070 -0.462 0.000 2.502 272 H HA 0.112 4.700 4.556 0.052 0.000 0.283 272 H C 1.047 176.043 175.328 -0.553 0.000 1.015 272 H CA 0.905 56.500 56.048 -0.755 0.000 1.298 272 H CB 0.382 29.111 29.762 -1.722 0.000 1.411 272 H HN 0.218 nan 8.280 nan 0.000 0.556 273 L N 0.212 121.286 121.223 -0.248 0.000 3.062 273 L HA 0.319 4.690 4.340 0.051 0.000 0.255 273 L C 0.908 177.718 176.870 -0.100 0.000 1.274 273 L CA -0.188 54.580 54.840 -0.120 0.000 1.047 273 L CB 0.401 42.438 42.059 -0.036 0.000 1.402 273 L HN 0.038 nan 8.230 nan 0.000 0.550 274 A N 0.679 123.418 122.820 -0.136 0.000 2.745 274 A HA -0.300 4.051 4.320 0.051 0.000 0.296 274 A C 0.796 178.329 177.584 -0.085 0.000 1.500 274 A CA 0.809 52.782 52.037 -0.106 0.000 0.766 274 A CB -2.064 16.891 19.000 -0.074 0.000 1.030 274 A HN 0.844 nan 8.150 nan 0.000 0.489 275 N N -2.054 116.583 118.700 -0.105 0.000 2.586 275 N HA -0.130 4.641 4.740 0.051 0.000 0.282 275 N C -1.638 173.843 175.510 -0.049 0.000 1.171 275 N CA 1.334 54.333 53.050 -0.086 0.000 0.733 275 N CB -0.556 37.888 38.487 -0.071 0.000 0.910 275 N HN 0.718 nan 8.380 nan 0.000 0.548 276 P HA 0.226 nan 4.420 nan 0.000 0.276 276 P C -0.438 176.886 177.300 0.039 0.000 1.244 276 P CA -0.252 62.858 63.100 0.016 0.000 0.801 276 P CB 1.329 33.064 31.700 0.058 0.000 1.006 277 T N 1.972 116.558 114.554 0.053 0.000 2.791 277 T HA 0.439 4.819 4.350 0.051 0.000 0.288 277 T C -0.145 174.608 174.700 0.089 0.000 0.999 277 T CA -0.694 61.443 62.100 0.061 0.000 0.952 277 T CB -0.424 68.471 68.868 0.044 0.000 0.938 277 T HN 0.157 nan 8.240 nan 0.000 0.444 278 L N 5.968 127.254 121.223 0.104 0.000 2.367 278 L HA 0.436 4.807 4.340 0.051 0.000 0.275 278 L C 0.362 177.364 176.870 0.220 0.000 1.129 278 L CA -0.457 54.472 54.840 0.148 0.000 0.839 278 L CB 0.651 42.746 42.059 0.061 0.000 1.133 278 L HN 0.577 nan 8.230 nan 0.000 0.453 279 I N 2.793 123.482 120.570 0.198 0.000 2.337 279 I HA 0.055 4.256 4.170 0.051 0.000 0.291 279 I C 0.215 176.434 176.117 0.170 0.000 1.046 279 I CA -0.216 61.174 61.300 0.150 0.000 1.324 279 I CB 0.721 38.757 38.000 0.059 0.000 1.409 279 I HN 0.511 nan 8.210 nan 0.000 0.494 280 D N 6.070 126.544 120.400 0.123 0.000 2.339 280 D HA 0.045 4.716 4.640 0.051 0.000 0.256 280 D C 0.752 176.937 176.300 -0.192 0.000 1.214 280 D CA 0.132 54.036 54.000 -0.159 0.000 0.877 280 D CB 0.710 41.465 40.800 -0.075 0.000 1.111 280 D HN 0.378 nan 8.370 nan 0.000 0.478 281 N N 2.439 120.967 118.700 -0.287 0.000 2.463 281 N HA 0.032 4.802 4.740 0.051 0.000 0.181 281 N C 1.128 176.541 175.510 -0.163 0.000 1.078 281 N CA 0.720 53.662 53.050 -0.180 0.000 0.902 281 N CB 0.299 38.691 38.487 -0.159 0.000 0.970 281 N HN 0.688 nan 8.380 nan 0.000 0.451 282 G N 1.576 110.245 108.800 -0.218 0.000 2.198 282 G HA2 -0.264 3.726 3.960 0.051 0.000 0.257 282 G HA3 -0.264 3.726 3.960 0.051 0.000 0.257 282 G C -0.059 174.770 174.900 -0.119 0.000 1.042 282 G CA 0.636 45.645 45.100 -0.152 0.000 0.791 282 G HN 0.458 nan 8.290 nan 0.000 0.502 283 D N -1.403 118.913 120.400 -0.142 0.000 2.822 283 D HA 0.449 5.120 4.640 0.051 0.000 0.327 283 D C 1.454 177.710 176.300 -0.073 0.000 1.577 283 D CA 0.980 54.931 54.000 -0.082 0.000 0.785 283 D CB -0.612 40.157 40.800 -0.051 0.000 1.199 283 D HN 1.313 nan 8.370 nan 0.000 0.443 284 G N 0.742 109.472 108.800 -0.116 0.000 2.179 284 G HA2 -0.230 3.761 3.960 0.051 0.000 0.257 284 G HA3 -0.230 3.761 3.960 0.051 0.000 0.257 284 G C 0.371 175.240 174.900 -0.052 0.000 1.010 284 G CA 0.718 45.775 45.100 -0.073 0.000 0.736 284 G HN 0.639 nan 8.290 nan 0.000 0.513 285 T N -1.251 113.196 114.554 -0.178 0.000 2.916 285 T HA 0.733 5.113 4.350 0.051 0.000 0.305 285 T C -0.779 173.718 174.700 -0.339 0.000 1.119 285 T CA -0.655 61.400 62.100 -0.074 0.000 1.008 285 T CB 1.222 70.136 68.868 0.077 0.000 1.129 285 T HN 0.359 nan 8.240 nan 0.000 0.480 286 F N 1.416 121.351 119.950 -0.025 0.000 2.594 286 F HA 0.781 5.338 4.527 0.050 0.000 0.335 286 F C 0.639 176.367 175.800 -0.121 0.000 1.058 286 F CA -0.796 57.170 58.000 -0.055 0.000 0.981 286 F CB 2.372 41.350 39.000 -0.037 0.000 1.289 286 F HN 0.507 nan 8.300 nan 0.000 0.490 287 S N 1.218 116.980 115.700 0.103 0.000 2.571 287 S HA 0.566 5.066 4.470 0.051 0.000 0.284 287 S C -1.679 172.929 174.600 0.013 0.000 1.128 287 S CA -0.489 57.690 58.200 -0.036 0.000 0.970 287 S CB 1.133 64.281 63.200 -0.086 0.000 1.039 287 S HN 0.535 nan 8.310 nan 0.000 0.485 288 L N 5.568 126.775 121.223 -0.027 0.000 2.353 288 L HA 0.725 5.095 4.340 0.051 0.000 0.269 288 L C 0.508 177.374 176.870 -0.007 0.000 1.085 288 L CA 1.319 56.177 54.840 0.030 0.000 0.938 288 L CB -0.173 41.937 42.059 0.084 0.000 1.312 288 L HN 1.029 nan 8.230 nan 0.000 0.429 289 G N 2.695 111.495 108.800 -0.000 0.000 2.610 289 G HA2 -0.182 3.808 3.960 0.051 0.000 0.304 289 G HA3 -0.182 3.808 3.960 0.051 0.000 0.304 289 G C -1.028 173.847 174.900 -0.041 0.000 1.309 289 G CA -0.401 44.688 45.100 -0.017 0.000 0.906 289 G HN 0.535 nan 8.290 nan 0.000 0.521 290 D N 0.982 121.354 120.400 -0.045 0.000 2.339 290 D HA 0.470 5.141 4.640 0.051 0.000 0.241 290 D C 1.420 177.671 176.300 -0.082 0.000 1.183 290 D CA 0.628 54.595 54.000 -0.055 0.000 0.859 290 D CB 0.534 41.310 40.800 -0.040 0.000 1.067 290 D HN 0.775 nan 8.370 nan 0.000 0.484 291 T N 0.897 115.389 114.554 -0.103 0.000 3.269 291 T HA 0.274 4.655 4.350 0.051 0.000 0.269 291 T C 1.340 175.973 174.700 -0.112 0.000 0.993 291 T CA -0.502 61.517 62.100 -0.135 0.000 0.909 291 T CB 0.425 69.169 68.868 -0.206 0.000 1.115 291 T HN 0.203 nan 8.240 nan 0.000 0.543 292 R N 1.508 121.960 120.500 -0.081 0.000 2.070 292 R HA 0.113 4.483 4.340 0.051 0.000 0.227 292 R C 2.056 178.319 176.300 -0.061 0.000 1.147 292 R CA 1.561 57.623 56.100 -0.064 0.000 0.924 292 R CB -0.790 29.481 30.300 -0.048 0.000 0.827 292 R HN 0.639 nan 8.270 nan 0.000 0.431 293 N N 1.386 120.053 118.700 -0.055 0.000 2.332 293 N HA -0.027 4.743 4.740 0.051 0.000 0.285 293 N C -0.312 175.163 175.510 -0.058 0.000 1.292 293 N CA -0.120 52.901 53.050 -0.049 0.000 0.947 293 N CB -0.524 37.939 38.487 -0.040 0.000 1.084 293 N HN 0.173 nan 8.380 nan 0.000 0.529 294 D N 0.043 120.413 120.400 -0.050 0.000 6.956 294 D HA -0.044 4.627 4.640 0.051 0.000 0.144 294 D C -0.511 175.746 176.300 -0.072 0.000 1.168 294 D CA 0.934 54.902 54.000 -0.054 0.000 0.780 294 D CB -0.523 40.248 40.800 -0.047 0.000 1.512 294 D HN 0.460 nan 8.370 nan 0.000 0.872 295 S N 3.080 118.738 115.700 -0.071 0.000 2.410 295 S HA 0.113 4.614 4.470 0.051 0.000 0.304 295 S C 1.154 175.703 174.600 -0.086 0.000 1.095 295 S CA -0.890 57.256 58.200 -0.090 0.000 1.089 295 S CB 1.235 64.390 63.200 -0.075 0.000 0.968 295 S HN 0.314 nan 8.310 nan 0.000 0.480 296 E N 1.850 121.983 120.200 -0.111 0.000 2.435 296 E HA -0.033 4.347 4.350 0.051 0.000 0.195 296 E C 0.033 176.578 176.600 -0.092 0.000 1.029 296 E CA -0.120 56.224 56.400 -0.093 0.000 0.865 296 E CB -0.330 29.305 29.700 -0.108 0.000 0.833 296 E HN 0.669 nan 8.360 nan 0.000 0.510 297 N N 0.992 119.622 118.700 -0.117 0.000 2.714 297 N HA -0.193 4.578 4.740 0.051 0.000 0.253 297 N C -1.246 174.240 175.510 -0.040 0.000 1.024 297 N CA 0.818 53.837 53.050 -0.052 0.000 0.726 297 N CB -1.124 37.386 38.487 0.039 0.000 0.908 297 N HN 0.321 nan 8.380 nan 0.000 0.542 298 A N 0.482 123.090 122.820 -0.353 0.000 2.292 298 A HA 0.682 5.033 4.320 0.051 0.000 0.319 298 A C -0.522 176.618 177.584 -0.741 0.000 1.206 298 A CA -0.389 51.293 52.037 -0.592 0.000 0.835 298 A CB 0.567 18.870 19.000 -1.162 0.000 1.164 298 A HN 0.368 nan 8.150 nan 0.000 0.505 299 W N 1.236 122.253 121.300 -0.472 0.000 2.936 299 W HA 0.640 5.332 4.660 0.053 0.000 0.338 299 W C -0.616 175.699 176.519 -0.339 0.000 1.121 299 W CA -0.349 56.682 57.345 -0.523 0.000 1.209 299 W CB 1.719 30.654 29.460 -0.875 0.000 1.420 299 W HN 0.428 nan 8.180 nan 0.000 0.516 300 I N 3.243 123.720 120.570 -0.155 0.000 2.382 300 I HA 0.301 4.502 4.170 0.051 0.000 0.285 300 I C -1.066 174.953 176.117 -0.162 0.000 1.007 300 I CA -0.793 60.490 61.300 -0.028 0.000 1.142 300 I CB 0.652 38.660 38.000 0.014 0.000 1.289 300 I HN 0.179 nan 8.210 nan 0.000 0.453 301 F N 6.165 126.282 119.950 0.279 0.000 2.350 301 F HA 0.352 4.909 4.527 0.050 0.000 0.365 301 F C 0.205 176.152 175.800 0.244 0.000 1.122 301 F CA -0.898 57.258 58.000 0.261 0.000 1.139 301 F CB 0.948 40.126 39.000 0.296 0.000 1.220 301 F HN 0.074 nan 8.300 nan 0.000 0.499 302 V N 5.569 125.622 119.914 0.231 0.000 2.383 302 V HA 0.338 4.489 4.120 0.051 0.000 0.275 302 V C -0.108 176.117 176.094 0.218 0.000 1.036 302 V CA -0.720 61.607 62.300 0.044 0.000 0.889 302 V CB 0.256 31.969 31.823 -0.183 0.000 0.985 302 V HN 0.558 nan 8.190 nan 0.000 0.459 303 F N 2.240 122.244 119.950 0.090 0.000 2.598 303 F HA 0.900 5.460 4.527 0.055 0.000 0.327 303 F C -0.139 175.621 175.800 -0.066 0.000 1.057 303 F CA -1.120 56.893 58.000 0.022 0.000 0.957 303 F CB 1.438 40.249 39.000 -0.315 0.000 1.278 303 F HN 0.369 nan 8.300 nan 0.000 0.484 304 E N 1.072 121.395 120.200 0.204 0.000 2.281 304 E HA 0.509 4.890 4.350 0.051 0.000 0.262 304 E C -1.374 175.310 176.600 0.140 0.000 0.933 304 E CA -1.146 55.295 56.400 0.068 0.000 0.809 304 E CB 2.530 32.240 29.700 0.017 0.000 1.242 304 E HN 0.574 nan 8.360 nan 0.000 0.418 305 L N 2.036 123.301 121.223 0.071 0.000 2.325 305 L HA 0.119 4.489 4.340 0.051 0.000 0.284 305 L C 0.262 177.159 176.870 0.046 0.000 1.089 305 L CA -0.411 54.462 54.840 0.055 0.000 0.836 305 L CB 0.089 42.175 42.059 0.046 0.000 1.184 305 L HN 0.441 nan 8.230 nan 0.000 0.444 306 D N 6.734 127.165 120.400 0.051 0.000 2.554 306 D HA -0.037 4.633 4.640 0.051 0.000 0.251 306 D C -1.413 174.914 176.300 0.045 0.000 1.213 306 D CA -0.805 53.227 54.000 0.054 0.000 0.900 306 D CB 1.246 42.080 40.800 0.056 0.000 1.135 306 D HN 0.322 nan 8.370 nan 0.000 0.522 307 P HA 0.028 nan 4.420 nan 0.000 0.245 307 P C 0.456 177.771 177.300 0.026 0.000 1.203 307 P CA 0.178 63.293 63.100 0.025 0.000 0.792 307 P CB 0.724 32.432 31.700 0.013 0.000 0.997 308 D N -0.134 120.285 120.400 0.033 0.000 2.107 308 D HA -0.052 4.619 4.640 0.051 0.000 0.204 308 D C 0.910 177.228 176.300 0.029 0.000 0.978 308 D CA 1.232 55.249 54.000 0.029 0.000 0.852 308 D CB -1.146 39.674 40.800 0.033 0.000 1.008 308 D HN 0.082 nan 8.370 nan 0.000 0.458 309 T N 1.333 115.909 114.554 0.036 0.000 2.870 309 T HA 0.100 4.481 4.350 0.051 0.000 0.300 309 T C -0.583 174.143 174.700 0.043 0.000 0.989 309 T CA -0.569 61.553 62.100 0.037 0.000 1.139 309 T CB 0.454 69.347 68.868 0.042 0.000 0.920 309 T HN -0.022 nan 8.240 nan 0.000 0.537 310 D N 3.408 123.832 120.400 0.039 0.000 3.071 310 D HA 0.460 5.131 4.640 0.051 0.000 0.259 310 D C 0.386 176.717 176.300 0.052 0.000 1.331 310 D CA -0.531 53.496 54.000 0.044 0.000 0.861 310 D CB -0.060 40.758 40.800 0.030 0.000 1.059 310 D HN 0.565 nan 8.370 nan 0.000 0.486 311 A N 0.429 123.287 122.820 0.064 0.000 2.332 311 A HA 0.438 4.789 4.320 0.051 0.000 0.258 311 A C 1.677 179.330 177.584 0.115 0.000 1.087 311 A CA -0.121 51.962 52.037 0.077 0.000 0.802 311 A CB 0.536 19.582 19.000 0.076 0.000 1.042 311 A HN 0.294 nan 8.150 nan 0.000 0.489 312 S N 0.604 116.387 115.700 0.139 0.000 2.351 312 S HA -0.041 4.459 4.470 0.051 0.000 0.220 312 S C -1.777 173.054 174.600 0.385 0.000 1.035 312 S CA 1.106 59.455 58.200 0.248 0.000 1.031 312 S CB -1.624 61.683 63.200 0.179 0.000 0.928 312 S HN 0.649 nan 8.310 nan 0.000 0.433 313 P HA 0.344 nan 4.420 nan 0.000 0.301 313 P C -0.953 176.462 177.300 0.192 0.000 1.348 313 P CA -0.638 62.567 63.100 0.174 0.000 0.826 313 P CB 0.656 32.387 31.700 0.052 0.000 0.945 314 R N 4.969 125.573 120.500 0.173 0.000 2.296 314 R HA 0.375 4.745 4.340 0.051 0.000 0.323 314 R C -2.243 174.119 176.300 0.103 0.000 1.067 314 R CA -1.647 54.526 56.100 0.122 0.000 0.946 314 R CB -0.437 29.920 30.300 0.095 0.000 0.991 314 R HN 0.309 nan 8.270 nan 0.000 0.448 315 P HA 0.073 nan 4.420 nan 0.000 0.275 315 P C -0.257 177.021 177.300 -0.036 0.000 1.266 315 P CA -0.497 62.623 63.100 0.034 0.000 0.793 315 P CB 0.732 32.462 31.700 0.050 0.000 1.074 316 L N 0.145 121.273 121.223 -0.158 0.000 2.367 316 L HA 0.489 4.860 4.340 0.051 0.000 0.275 316 L C 0.702 177.546 176.870 -0.044 0.000 1.129 316 L CA -0.461 54.194 54.840 -0.309 0.000 0.839 316 L CB 0.378 41.819 42.059 -1.031 0.000 1.133 316 L HN 0.408 nan 8.230 nan 0.000 0.453 317 A N 5.166 128.028 122.820 0.070 0.000 2.355 317 A HA 0.764 5.115 4.320 0.051 0.000 0.317 317 A C -2.565 175.224 177.584 0.342 0.000 1.094 317 A CA -1.771 50.391 52.037 0.209 0.000 0.764 317 A CB 1.250 20.333 19.000 0.137 0.000 1.230 317 A HN 0.424 nan 8.150 nan 0.000 0.448 318 P HA 0.110 nan 4.420 nan 0.000 0.263 318 P C -0.013 177.467 177.300 0.299 0.000 1.195 318 P CA 0.791 64.118 63.100 0.379 0.000 0.762 318 P CB 0.485 32.289 31.700 0.173 0.000 0.799 319 H N 3.764 122.957 119.070 0.205 0.000 2.501 319 H HA 0.439 5.025 4.556 0.050 0.000 0.281 319 H C -0.528 174.861 175.328 0.103 0.000 0.988 319 H CA 0.538 56.659 56.048 0.121 0.000 1.232 319 H CB 0.336 30.140 29.762 0.070 0.000 1.455 319 H HN 0.212 nan 8.280 nan 0.000 0.501 320 L N 1.348 122.584 121.223 0.021 0.000 2.543 320 L HA 0.335 4.705 4.340 0.051 0.000 0.265 320 L C -1.623 175.305 176.870 0.097 0.000 0.945 320 L CA -0.406 54.394 54.840 -0.067 0.000 0.869 320 L CB 2.193 44.097 42.059 -0.259 0.000 1.294 320 L HN 0.274 nan 8.230 nan 0.000 0.405 321 E N 4.724 125.048 120.200 0.208 0.000 2.141 321 E HA 0.574 4.955 4.350 0.051 0.000 0.259 321 E C -1.325 175.443 176.600 0.280 0.000 0.883 321 E CA -0.265 56.329 56.400 0.324 0.000 0.744 321 E CB 0.914 30.845 29.700 0.384 0.000 1.150 321 E HN 0.504 nan 8.360 nan 0.000 0.420 322 I N 3.750 124.380 120.570 0.101 0.000 2.378 322 I HA 0.398 4.599 4.170 0.051 0.000 0.291 322 I C 0.197 176.084 176.117 -0.383 0.000 0.992 322 I CA -0.800 60.441 61.300 -0.099 0.000 1.154 322 I CB 1.568 39.443 38.000 -0.209 0.000 1.315 322 I HN 0.250 nan 8.210 nan 0.000 0.448 323 R N 5.006 125.137 120.500 -0.614 0.000 2.308 323 R HA 0.504 4.874 4.340 0.051 0.000 0.305 323 R C -0.745 175.238 176.300 -0.528 0.000 1.053 323 R CA -0.546 55.002 56.100 -0.921 0.000 0.957 323 R CB 1.494 31.256 30.300 -0.896 0.000 1.022 323 R HN 0.538 nan 8.270 nan 0.000 0.461 324 V N 0.662 120.237 119.914 -0.565 0.000 2.459 324 V HA 0.333 4.484 4.120 0.051 0.000 0.295 324 V C -0.094 175.785 176.094 -0.359 0.000 1.029 324 V CA -1.187 60.885 62.300 -0.380 0.000 0.874 324 V CB 1.732 33.351 31.823 -0.340 0.000 0.985 324 V HN 0.658 nan 8.190 nan 0.000 0.438 325 N N 3.545 122.118 118.700 -0.211 0.000 2.406 325 N HA 0.168 4.938 4.740 0.051 0.000 0.251 325 N C 0.984 176.431 175.510 -0.105 0.000 1.069 325 N CA -0.016 52.940 53.050 -0.157 0.000 0.947 325 N CB 1.780 40.207 38.487 -0.101 0.000 1.111 325 N HN 0.631 nan 8.380 nan 0.000 0.497 326 V N 3.304 123.148 119.914 -0.115 0.000 2.332 326 V HA -0.231 3.919 4.120 0.051 0.000 0.248 326 V C 1.743 177.839 176.094 0.003 0.000 1.055 326 V CA 1.703 63.982 62.300 -0.036 0.000 1.038 326 V CB -0.538 31.274 31.823 -0.019 0.000 0.651 326 V HN 0.583 nan 8.190 nan 0.000 0.450 327 D N -0.014 120.378 120.400 -0.013 0.000 2.178 327 D HA -0.114 4.557 4.640 0.051 0.000 0.201 327 D C 2.275 178.592 176.300 0.029 0.000 0.980 327 D CA 1.624 55.627 54.000 0.005 0.000 0.842 327 D CB -0.134 40.660 40.800 -0.011 0.000 0.948 327 D HN 0.477 nan 8.370 nan 0.000 0.472 328 T N 0.187 114.753 114.554 0.021 0.000 2.857 328 T HA -0.089 4.291 4.350 0.051 0.000 0.266 328 T C 1.905 176.653 174.700 0.081 0.000 1.048 328 T CA 0.463 62.585 62.100 0.037 0.000 1.139 328 T CB -0.245 68.633 68.868 0.017 0.000 0.874 328 T HN 0.085 nan 8.240 nan 0.000 0.455 329 L N 1.156 122.443 121.223 0.107 0.000 2.042 329 L HA -0.009 4.361 4.340 0.051 0.000 0.210 329 L C 2.127 179.177 176.870 0.300 0.000 1.076 329 L CA 1.621 56.582 54.840 0.202 0.000 0.749 329 L CB -0.524 41.661 42.059 0.210 0.000 0.893 329 L HN 0.240 nan 8.230 nan 0.000 0.432 330 I N -0.467 120.257 120.570 0.257 0.000 2.226 330 I HA -0.268 3.932 4.170 0.051 0.000 0.245 330 I C 2.204 178.437 176.117 0.193 0.000 1.100 330 I CA 1.597 63.089 61.300 0.319 0.000 1.374 330 I CB -0.525 37.585 38.000 0.183 0.000 1.057 330 I HN 0.352 nan 8.210 nan 0.000 0.413 331 D N 1.083 121.552 120.400 0.114 0.000 2.097 331 D HA -0.158 4.513 4.640 0.051 0.000 0.195 331 D C 2.254 178.579 176.300 0.042 0.000 0.989 331 D CA 1.398 55.437 54.000 0.064 0.000 0.827 331 D CB -0.066 40.759 40.800 0.042 0.000 0.966 331 D HN 0.197 nan 8.370 nan 0.000 0.456 332 L N -0.085 121.168 121.223 0.051 0.000 2.017 332 L HA -0.134 4.237 4.340 0.051 0.000 0.208 332 L C 2.527 179.381 176.870 -0.026 0.000 1.073 332 L CA 1.399 56.251 54.840 0.019 0.000 0.745 332 L CB -0.418 41.666 42.059 0.043 0.000 0.894 332 L HN 0.074 nan 8.230 nan 0.000 0.432 333 A N -0.732 122.068 122.820 -0.033 0.000 1.930 333 A HA 0.009 4.360 4.320 0.051 0.000 0.215 333 A C 2.035 179.527 177.584 -0.154 0.000 1.176 333 A CA 1.043 52.982 52.037 -0.164 0.000 0.632 333 A CB -0.225 18.523 19.000 -0.420 0.000 0.819 333 A HN 0.399 nan 8.150 nan 0.000 0.445 334 L N -2.649 118.534 121.223 -0.066 0.000 2.638 334 L HA 0.263 4.634 4.340 0.051 0.000 0.232 334 L C 2.302 179.165 176.870 -0.012 0.000 1.099 334 L CA 0.155 54.979 54.840 -0.026 0.000 0.883 334 L CB 0.111 42.203 42.059 0.054 0.000 1.136 334 L HN 0.261 nan 8.230 nan 0.000 0.492 335 R N -0.987 119.506 120.500 -0.011 0.000 2.437 335 R HA 0.103 4.473 4.340 0.051 0.000 0.184 335 R C 1.769 178.055 176.300 -0.024 0.000 0.850 335 R CA -0.217 55.877 56.100 -0.011 0.000 1.073 335 R CB 0.366 30.669 30.300 0.005 0.000 1.336 335 R HN 0.028 nan 8.270 nan 0.000 0.640 336 E N 1.054 121.239 120.200 -0.024 0.000 2.031 336 E HA -0.149 4.231 4.350 0.051 0.000 0.193 336 E C 1.832 178.400 176.600 -0.054 0.000 0.994 336 E CA 1.422 57.803 56.400 -0.032 0.000 0.800 336 E CB -0.112 29.574 29.700 -0.024 0.000 0.752 336 E HN 0.067 nan 8.360 nan 0.000 0.447 337 S N 0.534 116.189 115.700 -0.075 0.000 2.348 337 S HA -0.087 4.413 4.470 0.051 0.000 0.221 337 S C -0.885 173.655 174.600 -0.100 0.000 1.033 337 S CA 1.268 59.404 58.200 -0.107 0.000 1.010 337 S CB -0.857 62.251 63.200 -0.153 0.000 0.891 337 S HN 0.015 nan 8.310 nan 0.000 0.442 338 P HA -0.055 nan 4.420 nan 0.000 0.218 338 P C 1.293 178.553 177.300 -0.066 0.000 1.148 338 P CA 1.147 64.199 63.100 -0.079 0.000 0.822 338 P CB -0.078 31.583 31.700 -0.064 0.000 0.784 339 R N -0.745 119.722 120.500 -0.054 0.000 2.148 339 R HA 0.021 4.391 4.340 0.051 0.000 0.227 339 R C 2.176 178.448 176.300 -0.046 0.000 1.103 339 R CA 1.245 57.319 56.100 -0.043 0.000 0.983 339 R CB -0.696 29.584 30.300 -0.033 0.000 0.874 339 R HN 0.154 nan 8.270 nan 0.000 0.451 340 A N 0.874 123.660 122.820 -0.056 0.000 1.929 340 A HA -0.021 4.330 4.320 0.051 0.000 0.216 340 A C 2.249 179.796 177.584 -0.061 0.000 1.176 340 A CA 1.414 53.417 52.037 -0.057 0.000 0.628 340 A CB -0.340 18.620 19.000 -0.067 0.000 0.816 340 A HN 0.357 nan 8.150 nan 0.000 0.444 341 A N -0.616 122.160 122.820 -0.073 0.000 2.066 341 A HA 0.145 4.495 4.320 0.051 0.000 0.218 341 A C 1.912 179.460 177.584 -0.060 0.000 1.157 341 A CA 1.097 53.090 52.037 -0.075 0.000 0.670 341 A CB -0.396 18.546 19.000 -0.096 0.000 0.804 341 A HN 0.448 nan 8.150 nan 0.000 0.453 342 L N -0.732 120.459 121.223 -0.053 0.000 2.567 342 L HA 0.162 4.533 4.340 0.051 0.000 0.225 342 L C 1.685 178.537 176.870 -0.029 0.000 1.119 342 L CA -0.098 54.717 54.840 -0.041 0.000 0.871 342 L CB -0.252 41.783 42.059 -0.040 0.000 1.036 342 L HN 0.418 nan 8.230 nan 0.000 0.459 343 G N 0.306 109.088 108.800 -0.031 0.000 2.653 343 G HA2 0.261 4.251 3.960 0.051 0.000 0.265 343 G HA3 0.261 4.251 3.960 0.051 0.000 0.265 343 G C -2.433 172.455 174.900 -0.019 0.000 1.237 343 G CA -0.813 44.272 45.100 -0.024 0.000 0.946 343 G HN -0.057 nan 8.290 nan 0.000 0.522 344 P HA 0.184 nan 4.420 nan 0.000 0.265 344 P C 0.383 177.675 177.300 -0.014 0.000 1.193 344 P CA 0.395 63.487 63.100 -0.013 0.000 0.765 344 P CB 1.041 32.734 31.700 -0.012 0.000 0.823 345 S N -0.170 115.524 115.700 -0.011 0.000 3.270 345 S HA -0.159 4.341 4.470 0.051 0.000 0.293 345 S C 0.995 175.587 174.600 -0.013 0.000 1.278 345 S CA 1.083 59.276 58.200 -0.011 0.000 1.038 345 S CB -1.937 61.256 63.200 -0.013 0.000 1.218 345 S HN 0.920 nan 8.310 nan 0.000 0.659 346 G N 1.315 110.106 108.800 -0.015 0.000 2.599 346 G HA2 0.452 4.443 3.960 0.051 0.000 0.264 346 G HA3 0.452 4.443 3.960 0.051 0.000 0.264 346 G C -1.079 173.816 174.900 -0.008 0.000 1.200 346 G CA -1.003 44.085 45.100 -0.021 0.000 0.896 346 G HN 0.243 nan 8.290 nan 0.000 0.536 347 P HA -0.045 nan 4.420 nan 0.000 0.219 347 P C 1.863 179.193 177.300 0.049 0.000 1.150 347 P CA 0.301 63.409 63.100 0.014 0.000 0.814 347 P CB 0.146 31.838 31.700 -0.012 0.000 0.787 348 V N 0.142 120.059 119.914 0.005 0.000 2.548 348 V HA -0.155 3.996 4.120 0.051 0.000 0.249 348 V C 2.497 178.636 176.094 0.075 0.000 1.055 348 V CA 1.778 64.084 62.300 0.010 0.000 1.065 348 V CB -1.756 30.029 31.823 -0.064 0.000 0.681 348 V HN 0.087 nan 8.190 nan 0.000 0.462 349 A N 1.141 123.986 122.820 0.042 0.000 1.940 349 A HA -0.221 4.130 4.320 0.051 0.000 0.219 349 A C 2.300 179.916 177.584 0.054 0.000 1.176 349 A CA 2.471 54.531 52.037 0.038 0.000 0.631 349 A CB -0.784 18.225 19.000 0.015 0.000 0.814 349 A HN 0.632 nan 8.150 nan 0.000 0.446 350 T N -4.562 110.032 114.554 0.066 0.000 3.086 350 T HA 0.173 4.554 4.350 0.051 0.000 0.250 350 T C 1.227 175.972 174.700 0.075 0.000 1.074 350 T CA 0.391 62.521 62.100 0.049 0.000 0.988 350 T CB -0.325 68.558 68.868 0.024 0.000 0.988 350 T HN 0.244 nan 8.240 nan 0.000 0.530 351 F N 2.445 122.382 119.950 -0.022 0.000 2.234 351 F HA 0.001 4.558 4.527 0.051 0.000 0.299 351 F C 2.463 178.253 175.800 -0.016 0.000 1.087 351 F CA 1.319 59.307 58.000 -0.019 0.000 1.340 351 F CB -0.487 38.503 39.000 -0.018 0.000 1.031 351 F HN 0.222 nan 8.300 nan 0.000 0.500 352 T N -0.751 113.816 114.554 0.022 0.000 2.821 352 T HA -0.171 4.210 4.350 0.051 0.000 0.267 352 T C 1.710 176.334 174.700 -0.127 0.000 1.046 352 T CA 1.951 64.018 62.100 -0.055 0.000 1.139 352 T CB -0.411 68.466 68.868 0.016 0.000 0.871 352 T HN 0.278 nan 8.240 nan 0.000 0.454 353 D N 0.591 120.929 120.400 -0.103 0.000 2.183 353 D HA -0.006 4.664 4.640 0.051 0.000 0.203 353 D C 2.218 178.426 176.300 -0.154 0.000 0.969 353 D CA 0.905 54.840 54.000 -0.108 0.000 0.842 353 D CB -0.076 40.682 40.800 -0.071 0.000 0.957 353 D HN 0.439 nan 8.370 nan 0.000 0.484 354 K N 0.508 120.782 120.400 -0.210 0.000 2.057 354 K HA -0.085 4.266 4.320 0.051 0.000 0.207 354 K C 2.215 178.634 176.600 -0.302 0.000 1.049 354 K CA 0.613 56.748 56.287 -0.253 0.000 0.931 354 K CB -0.073 32.249 32.500 -0.297 0.000 0.714 354 K HN -0.052 nan 8.250 nan 0.000 0.440 355 V N 1.701 121.361 119.914 -0.424 0.000 2.287 355 V HA -0.270 3.881 4.120 0.051 0.000 0.248 355 V C 1.918 177.918 176.094 -0.158 0.000 1.053 355 V CA 1.891 64.005 62.300 -0.311 0.000 1.027 355 V CB -0.472 31.165 31.823 -0.310 0.000 0.646 355 V HN 0.342 nan 8.190 nan 0.000 0.447 356 E N 0.301 120.409 120.200 -0.152 0.000 2.106 356 E HA -0.141 4.239 4.350 0.051 0.000 0.192 356 E C 2.306 178.826 176.600 -0.132 0.000 0.984 356 E CA 1.215 57.540 56.400 -0.125 0.000 0.806 356 E CB -0.324 29.300 29.700 -0.127 0.000 0.750 356 E HN 0.614 nan 8.360 nan 0.000 0.458 357 A N 1.358 124.097 122.820 -0.135 0.000 1.929 357 A HA -0.113 4.238 4.320 0.051 0.000 0.216 357 A C 2.035 179.544 177.584 -0.124 0.000 1.176 357 A CA 0.864 52.824 52.037 -0.128 0.000 0.628 357 A CB -0.136 18.794 19.000 -0.118 0.000 0.816 357 A HN -0.000 nan 8.150 nan 0.000 0.444 358 R N -1.187 119.242 120.500 -0.118 0.000 2.148 358 R HA 0.047 4.417 4.340 0.051 0.000 0.227 358 R C 1.964 178.228 176.300 -0.060 0.000 1.103 358 R CA 1.233 57.264 56.100 -0.114 0.000 0.983 358 R CB -0.587 29.667 30.300 -0.077 0.000 0.874 358 R HN 0.649 nan 8.270 nan 0.000 0.451 359 M N -0.070 119.550 119.600 0.034 0.000 2.288 359 M HA -0.081 4.430 4.480 0.051 0.000 0.266 359 M C 1.712 178.157 176.300 0.242 0.000 1.072 359 M CA 0.906 56.339 55.300 0.221 0.000 1.132 359 M CB 0.095 32.763 32.600 0.114 0.000 1.386 359 M HN 0.000 nan 8.290 nan 0.000 0.432 360 L N -0.121 121.094 121.223 -0.012 0.000 2.478 360 L HA 0.001 4.371 4.340 0.051 0.000 0.223 360 L C 1.990 178.895 176.870 0.058 0.000 1.140 360 L CA 1.280 56.075 54.840 -0.074 0.000 0.842 360 L CB -0.396 41.535 42.059 -0.215 0.000 0.953 360 L HN 0.126 nan 8.230 nan 0.000 0.452 361 R N -1.326 119.112 120.500 -0.103 0.000 2.280 361 R HA -0.044 4.327 4.340 0.051 0.000 0.207 361 R C 1.521 177.686 176.300 -0.226 0.000 1.043 361 R CA 0.967 56.931 56.100 -0.228 0.000 1.006 361 R CB -0.263 29.797 30.300 -0.401 0.000 0.885 361 R HN 0.400 nan 8.270 nan 0.000 0.467 362 F N -1.211 118.870 119.950 0.218 0.000 2.664 362 F HA 0.072 4.630 4.527 0.051 0.000 0.296 362 F C 1.246 177.127 175.800 0.135 0.000 1.125 362 F CA -0.415 57.675 58.000 0.150 0.000 1.444 362 F CB 0.111 39.175 39.000 0.106 0.000 1.114 362 F HN -0.001 nan 8.300 nan 0.000 0.576 363 W N 4.357 125.726 121.300 0.115 0.000 2.210 363 W HA 0.121 4.812 4.660 0.051 0.000 0.330 363 W C -1.500 175.040 176.519 0.034 0.000 1.334 363 W CA -1.552 55.832 57.345 0.064 0.000 1.227 363 W CB 0.218 29.699 29.460 0.036 0.000 1.178 363 W HN -0.086 nan 8.180 nan 0.000 0.560 364 P HA 0.000 nan 4.420 nan 0.000 0.216 364 P CA 0.000 63.148 63.100 0.080 0.000 0.800 364 P CB 0.000 31.712 31.700 0.019 0.000 0.726