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 3dh4_1_C DATA FIRST_RESID 3 DATA SEQUENCE ?????????? ???????XXX XXXXXXXXXX XXXXXXXXXX XXXXAGKSLP DATA SEQUENCE WWAVGASLIA ANISAEQFIG MSGSGYSIGL AIASYEWMSA ITLIIVGKYF DATA SEQUENCE LPIFIEKGIY TIPEFVEKRF NKKLKTILAV FWISLYIFVN LTSVLYLGGL DATA SEQUENCE ALETILGIPL MYSILGLALF ALVYSIXXXX XXVVWTDVIQ VFFLVLGGFM DATA SEQUENCE TTYMAVSFIG GTDGWFAGVS KMVDAAPGHF EMILDQSNPQ YMNLPGIAVL DATA SEQUENCE IGGLWVANLY YWGFNQYIIQ RTLAAKSVSE AQKGIVFAAF LKLIVPFLVV DATA SEQUENCE LPGIAAYVIT SDPQLMASLG DIAATNLPSA ANADKAYPWL TQFLPVGVKG DATA SEQUENCE VVFAALAAAI VSSLASMLNS TATIFTMDIY KEYISPDSGD HKLVNVGRTA DATA SEQUENCE AVVALIIACL IAPMLGGIGQ AFQYIQEYTG LVSPGILAVF LLGLFWKKTT DATA SEQUENCE SKGAIIGVVA SIPFALFLKF MPLSMPFMDQ MLYTLLFTMV VIAFTSLSTS DATA SEQUENCE INDDDPKGIS VTSSMFVTDR SFNIAAYGIM IVLAVLYTLF WVLYK 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 3 ? HA 0.000 nan 9999.000 nan 0.000 0.000 3 ? C 0.000 9999.000 9999.000 0.004 0.000 0.000 3 ? CA 0.000 9999.000 9999.000 -0.004 0.000 0.000 3 ? CB 0.000 9999.000 9999.000 -0.004 0.000 0.000 48 G N 0.206 109.015 108.800 0.015 0.000 1.875 48 G HA2 0.409 4.369 3.960 0.001 0.000 0.218 48 G HA3 0.409 4.369 3.960 0.001 0.000 0.218 48 G C -0.978 173.931 174.900 0.015 0.000 1.648 48 G CA -0.652 44.461 45.100 0.022 0.000 0.941 48 G HN 0.678 nan 8.290 nan 0.000 0.689 49 K N 2.535 122.945 120.400 0.018 0.000 2.449 49 K HA 0.270 4.591 4.320 0.001 0.000 0.237 49 K C 1.216 177.815 176.600 -0.002 0.000 1.265 49 K CA 0.645 56.938 56.287 0.009 0.000 1.193 49 K CB -0.073 32.437 32.500 0.016 0.000 1.515 49 K HN 1.617 nan 8.250 nan 0.000 0.259 50 S N 0.079 115.775 115.700 -0.007 0.000 3.484 50 S HA -0.192 4.279 4.470 0.001 0.000 0.384 50 S C 0.151 174.728 174.600 -0.039 0.000 0.932 50 S CA -0.017 58.170 58.200 -0.021 0.000 1.293 50 S CB -2.120 61.063 63.200 -0.028 0.000 0.919 50 S HN 0.479 nan 8.310 nan 0.000 0.540 51 L N 1.702 122.911 121.223 -0.024 0.000 2.559 51 L HA 0.290 4.630 4.340 0.001 0.000 0.274 51 L C -1.224 175.594 176.870 -0.088 0.000 1.205 51 L CA -1.021 53.797 54.840 -0.037 0.000 0.907 51 L CB -0.467 41.599 42.059 0.010 0.000 1.153 51 L HN 0.382 nan 8.230 nan 0.000 0.490 52 P HA 0.104 nan 4.420 nan 0.000 0.287 52 P C 0.421 177.561 177.300 -0.267 0.000 1.292 52 P CA -0.702 62.240 63.100 -0.263 0.000 0.879 52 P CB 1.344 32.780 31.700 -0.440 0.000 1.214 53 W N 0.702 121.753 121.300 -0.414 0.000 2.292 53 W HA -0.359 4.301 4.660 0.001 0.000 0.346 53 W C 1.951 178.282 176.519 -0.314 0.000 1.772 53 W CA 2.728 59.852 57.345 -0.369 0.000 1.894 53 W CB -1.616 27.524 29.460 -0.532 0.000 0.923 53 W HN 0.601 nan 8.180 nan 0.000 0.467 54 W N -2.132 119.315 121.300 0.244 0.000 2.539 54 W HA 0.424 5.084 4.660 0.001 0.000 0.299 54 W C 2.099 178.645 176.519 0.045 0.000 1.165 54 W CA 1.574 58.783 57.345 -0.226 0.000 1.400 54 W CB -1.855 27.295 29.460 -0.517 0.000 1.123 54 W HN 0.126 nan 8.180 nan 0.000 0.533 55 A N 1.480 124.372 122.820 0.119 0.000 2.032 55 A HA -0.144 4.176 4.320 0.001 0.000 0.221 55 A C 2.013 179.719 177.584 0.202 0.000 1.165 55 A CA 2.619 54.788 52.037 0.221 0.000 0.645 55 A CB -1.110 17.938 19.000 0.080 0.000 0.807 55 A HN 0.249 nan 8.150 nan 0.000 0.453 56 V N -0.197 119.805 119.914 0.147 0.000 2.216 56 V HA -0.198 3.923 4.120 0.001 0.000 0.242 56 V C 2.892 179.149 176.094 0.271 0.000 1.042 56 V CA 2.168 64.568 62.300 0.167 0.000 0.991 56 V CB -1.654 30.233 31.823 0.105 0.000 0.633 56 V HN 0.564 nan 8.190 nan 0.000 0.449 57 G N -0.596 108.442 108.800 0.397 0.000 2.469 57 G HA2 -0.265 3.695 3.960 0.001 0.000 0.220 57 G HA3 -0.265 3.695 3.960 0.001 0.000 0.220 57 G C 1.757 176.901 174.900 0.408 0.000 1.136 57 G CA 1.370 46.739 45.100 0.448 0.000 0.759 57 G HN 0.666 nan 8.290 nan 0.000 0.562 58 A N 0.712 123.855 122.820 0.538 0.000 1.873 58 A HA -0.122 4.199 4.320 0.001 0.000 0.218 58 A C 2.664 180.427 177.584 0.297 0.000 1.193 58 A CA 2.585 54.875 52.037 0.421 0.000 0.629 58 A CB -1.052 18.216 19.000 0.448 0.000 0.826 58 A HN 0.504 nan 8.150 nan 0.000 0.447 59 S N -0.519 115.343 115.700 0.269 0.000 2.400 59 S HA -0.111 4.360 4.470 0.001 0.000 0.232 59 S C 1.844 176.579 174.600 0.225 0.000 1.025 59 S CA 1.525 59.858 58.200 0.223 0.000 0.993 59 S CB -0.634 62.681 63.200 0.191 0.000 0.808 59 S HN 0.492 nan 8.310 nan 0.000 0.478 60 L N 0.257 121.630 121.223 0.250 0.000 2.068 60 L HA 0.058 4.398 4.340 0.001 0.000 0.204 60 L C 2.374 179.444 176.870 0.333 0.000 1.076 60 L CA 0.465 55.476 54.840 0.286 0.000 0.753 60 L CB -0.779 41.474 42.059 0.323 0.000 0.910 60 L HN 0.225 nan 8.230 nan 0.000 0.439 61 I N 1.510 122.263 120.570 0.305 0.000 2.127 61 I HA -0.269 3.901 4.170 0.001 0.000 0.241 61 I C 3.012 179.283 176.117 0.257 0.000 1.075 61 I CA 1.736 63.206 61.300 0.284 0.000 1.334 61 I CB -1.417 36.700 38.000 0.196 0.000 1.040 61 I HN 0.229 nan 8.210 nan 0.000 0.405 62 A N 1.009 123.972 122.820 0.238 0.000 1.873 62 A HA -0.226 4.094 4.320 0.001 0.000 0.218 62 A C 2.561 180.275 177.584 0.216 0.000 1.193 62 A CA 2.669 54.839 52.037 0.223 0.000 0.629 62 A CB -1.010 18.119 19.000 0.214 0.000 0.826 62 A HN 0.447 nan 8.150 nan 0.000 0.447 63 A N 0.307 123.254 122.820 0.212 0.000 1.933 63 A HA -0.218 4.103 4.320 0.001 0.000 0.218 63 A C 2.046 179.747 177.584 0.196 0.000 1.175 63 A CA 1.777 53.926 52.037 0.187 0.000 0.628 63 A CB -0.816 18.282 19.000 0.163 0.000 0.814 63 A HN 0.789 nan 8.150 nan 0.000 0.444 64 N N -0.085 118.763 118.700 0.247 0.000 2.069 64 N HA -0.137 4.604 4.740 0.001 0.000 0.191 64 N C 0.389 176.044 175.510 0.241 0.000 1.031 64 N CA 0.943 54.166 53.050 0.288 0.000 0.852 64 N CB -0.226 38.530 38.487 0.449 0.000 1.018 64 N HN 0.284 nan 8.380 nan 0.000 0.423 65 I N 1.745 122.447 120.570 0.220 0.000 2.634 65 I HA 0.023 4.194 4.170 0.001 0.000 0.284 65 I C 0.975 177.213 176.117 0.202 0.000 1.124 65 I CA 0.319 61.732 61.300 0.188 0.000 1.417 65 I CB 1.038 39.151 38.000 0.187 0.000 1.396 65 I HN 0.401 nan 8.210 nan 0.000 0.571 66 S N 4.513 120.334 115.700 0.202 0.000 3.127 66 S HA 0.620 5.090 4.470 0.001 0.000 0.314 66 S C 0.530 175.263 174.600 0.223 0.000 1.238 66 S CA -0.008 58.312 58.200 0.200 0.000 1.074 66 S CB 0.846 64.149 63.200 0.171 0.000 1.417 66 S HN 0.495 nan 8.310 nan 0.000 0.597 67 A N 1.158 124.089 122.820 0.185 0.000 1.854 67 A HA 0.086 4.406 4.320 0.001 0.000 0.214 67 A C 1.841 179.539 177.584 0.188 0.000 1.192 67 A CA 1.560 53.706 52.037 0.182 0.000 0.611 67 A CB -1.607 17.481 19.000 0.147 0.000 0.832 67 A HN 0.877 nan 8.150 nan 0.000 0.442 68 E N 0.082 120.391 120.200 0.183 0.000 2.197 68 E HA -0.316 4.034 4.350 0.001 0.000 0.205 68 E C 2.094 178.842 176.600 0.246 0.000 1.029 68 E CA 1.652 58.179 56.400 0.213 0.000 0.828 68 E CB -0.346 29.446 29.700 0.154 0.000 0.737 68 E HN 0.683 nan 8.360 nan 0.000 0.464 69 Q N 0.024 119.921 119.800 0.162 0.000 2.008 69 Q HA -0.027 4.313 4.340 0.001 0.000 0.196 69 Q C 2.182 178.143 176.000 -0.064 0.000 0.973 69 Q CA 1.101 56.929 55.803 0.041 0.000 0.826 69 Q CB -0.547 28.177 28.738 -0.022 0.000 0.894 69 Q HN 0.348 nan 8.270 nan 0.000 0.439 70 F N 0.230 120.148 119.950 -0.054 0.000 2.407 70 F HA -0.007 4.521 4.527 0.001 0.000 0.299 70 F C 1.995 177.655 175.800 -0.232 0.000 1.097 70 F CA 0.619 58.489 58.000 -0.216 0.000 1.422 70 F CB 0.355 39.221 39.000 -0.223 0.000 1.067 70 F HN -0.019 nan 8.300 nan 0.000 0.539 71 I N -2.360 118.298 120.570 0.147 0.000 3.518 71 I HA 0.085 4.256 4.170 0.001 0.000 0.260 71 I C 2.599 178.802 176.117 0.143 0.000 1.148 71 I CA 0.780 62.175 61.300 0.159 0.000 1.440 71 I CB -0.990 37.109 38.000 0.165 0.000 1.485 71 I HN -0.052 nan 8.210 nan 0.000 0.456 72 G N 1.101 110.005 108.800 0.173 0.000 2.440 72 G HA2 -0.288 3.673 3.960 0.001 0.000 0.218 72 G HA3 -0.288 3.673 3.960 0.001 0.000 0.218 72 G C 1.671 176.637 174.900 0.111 0.000 1.154 72 G CA 0.955 46.191 45.100 0.227 0.000 0.767 72 G HN 0.210 nan 8.290 nan 0.000 0.552 73 M N 1.218 120.781 119.600 -0.062 0.000 2.248 73 M HA -0.011 4.469 4.480 0.001 0.000 0.265 73 M C 2.949 179.087 176.300 -0.270 0.000 1.079 73 M CA 1.668 56.674 55.300 -0.490 0.000 1.150 73 M CB 0.039 32.275 32.600 -0.607 0.000 1.366 73 M HN 0.373 nan 8.290 nan 0.000 0.433 74 S N -0.186 115.449 115.700 -0.109 0.000 2.359 74 S HA -0.121 4.349 4.470 0.001 0.000 0.224 74 S C 1.992 176.649 174.600 0.095 0.000 1.035 74 S CA 1.438 59.649 58.200 0.018 0.000 1.018 74 S CB -1.692 61.584 63.200 0.127 0.000 0.876 74 S HN 0.604 nan 8.310 nan 0.000 0.448 75 G N 0.283 109.146 108.800 0.105 0.000 2.471 75 G HA2 -0.080 3.880 3.960 0.001 0.000 0.219 75 G HA3 -0.080 3.880 3.960 0.001 0.000 0.219 75 G C 1.571 176.550 174.900 0.132 0.000 1.125 75 G CA 0.838 46.016 45.100 0.130 0.000 0.775 75 G HN 0.578 nan 8.290 nan 0.000 0.548 76 S N -0.087 115.636 115.700 0.039 0.000 2.406 76 S HA 0.082 4.552 4.470 0.001 0.000 0.224 76 S C 2.503 177.094 174.600 -0.016 0.000 1.030 76 S CA 1.171 59.374 58.200 0.006 0.000 0.958 76 S CB -0.396 62.723 63.200 -0.135 0.000 0.811 76 S HN 0.435 nan 8.310 nan 0.000 0.489 77 G N -0.321 108.443 108.800 -0.060 0.000 2.462 77 G HA2 -0.229 3.731 3.960 0.001 0.000 0.220 77 G HA3 -0.229 3.731 3.960 0.001 0.000 0.220 77 G C 1.174 176.110 174.900 0.059 0.000 1.121 77 G CA 0.895 45.956 45.100 -0.065 0.000 0.758 77 G HN 0.598 nan 8.290 nan 0.000 0.559 78 Y N 1.904 122.226 120.300 0.038 0.000 2.070 78 Y HA -0.180 4.370 4.550 0.001 0.000 0.280 78 Y C 3.078 179.066 175.900 0.145 0.000 1.148 78 Y CA 2.310 60.480 58.100 0.116 0.000 1.125 78 Y CB -0.185 38.354 38.460 0.132 0.000 0.975 78 Y HN 0.218 nan 8.280 nan 0.000 0.492 79 S N -0.403 115.467 115.700 0.283 0.000 2.414 79 S HA 0.001 4.471 4.470 0.001 0.000 0.227 79 S C 1.710 176.266 174.600 -0.074 0.000 1.022 79 S CA 1.518 59.825 58.200 0.177 0.000 0.958 79 S CB -0.068 63.253 63.200 0.203 0.000 0.797 79 S HN 0.469 nan 8.310 nan 0.000 0.493 80 I N -0.734 119.746 120.570 -0.149 0.000 3.366 80 I HA 0.389 4.560 4.170 0.001 0.000 0.267 80 I C 1.325 177.126 176.117 -0.528 0.000 1.149 80 I CA 0.460 61.559 61.300 -0.334 0.000 1.436 80 I CB -0.019 37.860 38.000 -0.202 0.000 1.379 80 I HN 0.412 nan 8.210 nan 0.000 0.460 81 G N 0.933 109.562 108.800 -0.285 0.000 2.384 81 G HA2 -0.223 3.737 3.960 0.001 0.000 0.200 81 G HA3 -0.223 3.737 3.960 0.001 0.000 0.200 81 G C 0.133 174.804 174.900 -0.381 0.000 1.205 81 G CA -0.082 44.845 45.100 -0.287 0.000 1.116 81 G HN 0.110 nan 8.290 nan 0.000 0.547 82 L N 1.197 122.112 121.223 -0.513 0.000 2.079 82 L HA 0.218 4.558 4.340 0.001 0.000 0.210 82 L C 3.359 179.971 176.870 -0.430 0.000 1.081 82 L CA 3.231 57.760 54.840 -0.517 0.000 0.752 82 L CB -0.934 40.767 42.059 -0.596 0.000 0.896 82 L HN 1.579 nan 8.230 nan 0.000 0.433 83 A N -0.548 122.057 122.820 -0.360 0.000 2.009 83 A HA -0.312 4.009 4.320 0.001 0.000 0.222 83 A C 2.343 179.797 177.584 -0.216 0.000 1.175 83 A CA 2.431 54.318 52.037 -0.250 0.000 0.651 83 A CB -1.044 17.822 19.000 -0.223 0.000 0.815 83 A HN 0.548 nan 8.150 nan 0.000 0.459 84 I N -0.999 119.423 120.570 -0.247 0.000 3.059 84 I HA -0.048 4.122 4.170 0.001 0.000 0.270 84 I C 2.424 178.379 176.117 -0.270 0.000 1.238 84 I CA 0.711 61.908 61.300 -0.171 0.000 1.478 84 I CB -0.032 37.849 38.000 -0.198 0.000 1.097 84 I HN 0.331 nan 8.210 nan 0.000 0.455 85 A N -0.284 122.225 122.820 -0.518 0.000 2.186 85 A HA -0.179 4.142 4.320 0.001 0.000 0.219 85 A C 2.328 179.409 177.584 -0.839 0.000 1.159 85 A CA 1.784 53.259 52.037 -0.936 0.000 0.680 85 A CB -0.589 17.440 19.000 -1.617 0.000 0.787 85 A HN 0.457 nan 8.150 nan 0.000 0.467 86 S N -1.190 114.310 115.700 -0.334 0.000 2.370 86 S HA -0.209 4.261 4.470 0.001 0.000 0.226 86 S C 1.665 176.201 174.600 -0.106 0.000 1.033 86 S CA 1.572 59.747 58.200 -0.043 0.000 1.011 86 S CB -0.618 62.563 63.200 -0.032 0.000 0.852 86 S HN 0.725 nan 8.310 nan 0.000 0.457 87 Y N 1.959 122.190 120.300 -0.115 0.000 2.151 87 Y HA -0.197 4.354 4.550 0.001 0.000 0.284 87 Y C 2.722 178.598 175.900 -0.040 0.000 1.166 87 Y CA 1.445 59.525 58.100 -0.033 0.000 1.163 87 Y CB -0.120 38.391 38.460 0.084 0.000 0.974 87 Y HN 0.183 nan 8.280 nan 0.000 0.511 88 E N -1.371 118.829 120.200 0.000 0.000 2.046 88 E HA -0.176 4.174 4.350 0.001 0.000 0.190 88 E C 1.954 178.618 176.600 0.106 0.000 0.982 88 E CA 1.043 57.433 56.400 -0.018 0.000 0.800 88 E CB -0.634 28.957 29.700 -0.183 0.000 0.756 88 E HN 0.539 nan 8.360 nan 0.000 0.449 89 W N -0.069 121.246 121.300 0.025 0.000 2.467 89 W HA 0.049 4.710 4.660 0.001 0.000 0.275 89 W C 1.771 178.285 176.519 -0.009 0.000 1.239 89 W CA 0.421 57.789 57.345 0.038 0.000 1.266 89 W CB -0.474 29.064 29.460 0.130 0.000 1.112 89 W HN 0.087 nan 8.180 nan 0.000 0.576 90 M N -0.639 119.025 119.600 0.107 0.000 2.541 90 M HA 0.032 4.512 4.480 0.001 0.000 0.252 90 M C 1.745 177.943 176.300 -0.171 0.000 1.125 90 M CA 0.706 55.907 55.300 -0.166 0.000 1.091 90 M CB -1.273 31.054 32.600 -0.455 0.000 1.420 90 M HN -0.212 nan 8.290 nan 0.000 0.486 91 S N 0.929 116.601 115.700 -0.047 0.000 2.414 91 S HA 0.086 4.557 4.470 0.001 0.000 0.227 91 S C 2.081 176.543 174.600 -0.230 0.000 1.022 91 S CA 0.931 59.069 58.200 -0.103 0.000 0.958 91 S CB -0.008 63.207 63.200 0.026 0.000 0.797 91 S HN 0.538 nan 8.310 nan 0.000 0.493 92 A N 1.255 124.024 122.820 -0.085 0.000 1.902 92 A HA -0.023 4.297 4.320 0.001 0.000 0.217 92 A C 2.067 179.631 177.584 -0.033 0.000 1.181 92 A CA 1.221 53.214 52.037 -0.075 0.000 0.623 92 A CB -0.547 18.471 19.000 0.029 0.000 0.818 92 A HN 0.513 nan 8.150 nan 0.000 0.443 93 I N -1.675 118.920 120.570 0.041 0.000 2.500 93 I HA -0.125 4.045 4.170 0.001 0.000 0.252 93 I C 2.435 178.676 176.117 0.208 0.000 1.142 93 I CA 1.664 63.043 61.300 0.131 0.000 1.451 93 I CB -0.125 38.000 38.000 0.208 0.000 1.093 93 I HN 0.299 nan 8.210 nan 0.000 0.430 94 T N 1.117 115.804 114.554 0.222 0.000 2.665 94 T HA -0.223 4.128 4.350 0.001 0.000 0.268 94 T C 1.859 176.617 174.700 0.097 0.000 1.035 94 T CA 2.073 64.356 62.100 0.304 0.000 1.151 94 T CB -0.320 68.717 68.868 0.281 0.000 0.862 94 T HN 0.305 nan 8.240 nan 0.000 0.438 95 L N 0.099 121.286 121.223 -0.060 0.000 2.012 95 L HA -0.118 4.223 4.340 0.001 0.000 0.210 95 L C 2.499 179.409 176.870 0.067 0.000 1.073 95 L CA 1.401 56.194 54.840 -0.078 0.000 0.748 95 L CB -0.595 41.334 42.059 -0.218 0.000 0.891 95 L HN 0.325 nan 8.230 nan 0.000 0.431 96 I N -0.360 120.261 120.570 0.085 0.000 2.145 96 I HA -0.374 3.796 4.170 0.001 0.000 0.244 96 I C 2.378 178.678 176.117 0.305 0.000 1.075 96 I CA 1.425 62.835 61.300 0.183 0.000 1.332 96 I CB -0.234 37.815 38.000 0.082 0.000 1.033 96 I HN 0.208 nan 8.210 nan 0.000 0.410 97 I N -0.066 120.642 120.570 0.231 0.000 2.163 97 I HA -0.196 3.974 4.170 0.001 0.000 0.240 97 I C 2.736 179.018 176.117 0.275 0.000 1.081 97 I CA 1.547 63.025 61.300 0.295 0.000 1.353 97 I CB -1.444 36.654 38.000 0.164 0.000 1.054 97 I HN 0.207 nan 8.210 nan 0.000 0.407 98 V N 1.583 121.466 119.914 -0.052 0.000 2.392 98 V HA -0.184 3.937 4.120 0.001 0.000 0.249 98 V C 2.372 178.568 176.094 0.170 0.000 1.059 98 V CA 2.333 64.501 62.300 -0.220 0.000 1.051 98 V CB -1.226 30.404 31.823 -0.321 0.000 0.658 98 V HN 0.396 nan 8.190 nan 0.000 0.455 99 G N -0.078 108.828 108.800 0.177 0.000 2.545 99 G HA2 -0.399 3.561 3.960 0.001 0.000 0.217 99 G HA3 -0.399 3.561 3.960 0.001 0.000 0.217 99 G C 1.630 176.556 174.900 0.043 0.000 1.218 99 G CA 1.240 46.446 45.100 0.177 0.000 0.787 99 G HN 0.617 nan 8.290 nan 0.000 0.571 100 K N -1.005 119.422 120.400 0.045 0.000 2.148 100 K HA -0.015 4.306 4.320 0.001 0.000 0.204 100 K C 1.952 178.411 176.600 -0.235 0.000 1.050 100 K CA 1.140 57.268 56.287 -0.265 0.000 0.942 100 K CB -0.166 32.136 32.500 -0.331 0.000 0.724 100 K HN 0.516 nan 8.250 nan 0.000 0.446 101 Y N -2.227 118.243 120.300 0.284 0.000 2.430 101 Y HA 0.162 4.712 4.550 0.001 0.000 0.254 101 Y C 1.096 177.241 175.900 0.409 0.000 1.088 101 Y CA -0.434 57.842 58.100 0.293 0.000 1.267 101 Y CB 0.576 39.128 38.460 0.154 0.000 1.204 101 Y HN -0.054 nan 8.280 nan 0.000 0.515 102 F N -1.502 118.597 119.950 0.248 0.000 2.390 102 F HA 0.018 4.545 4.527 0.001 0.000 0.281 102 F C 1.948 177.775 175.800 0.044 0.000 1.016 102 F CA 0.223 58.268 58.000 0.076 0.000 1.286 102 F CB -0.876 38.170 39.000 0.078 0.000 1.134 102 F HN -0.186 nan 8.300 nan 0.000 0.597 103 L N 0.953 122.411 121.223 0.392 0.000 1.978 103 L HA -0.184 4.157 4.340 0.001 0.000 0.218 103 L C -0.344 176.604 176.870 0.130 0.000 1.075 103 L CA 2.545 57.567 54.840 0.303 0.000 0.767 103 L CB -2.553 39.603 42.059 0.162 0.000 0.890 103 L HN 0.028 nan 8.230 nan 0.000 0.434 104 P HA -0.206 nan 4.420 nan 0.000 0.218 104 P C 1.980 179.220 177.300 -0.099 0.000 1.150 104 P CA 1.571 64.653 63.100 -0.030 0.000 0.841 104 P CB 0.049 31.732 31.700 -0.029 0.000 0.784 105 I N -2.699 117.776 120.570 -0.158 0.000 2.193 105 I HA -0.196 3.974 4.170 0.001 0.000 0.240 105 I C 2.107 178.033 176.117 -0.318 0.000 1.084 105 I CA 1.236 62.349 61.300 -0.310 0.000 1.365 105 I CB -0.657 37.027 38.000 -0.527 0.000 1.064 105 I HN -0.152 nan 8.210 nan 0.000 0.410 106 F N 1.098 120.926 119.950 -0.202 0.000 2.126 106 F HA -0.266 4.261 4.527 0.001 0.000 0.299 106 F C 2.392 178.070 175.800 -0.204 0.000 1.096 106 F CA 1.634 59.492 58.000 -0.238 0.000 1.255 106 F CB -0.625 38.218 39.000 -0.262 0.000 0.997 106 F HN 0.140 nan 8.300 nan 0.000 0.479 107 I N -0.972 119.621 120.570 0.040 0.000 2.277 107 I HA -0.105 4.065 4.170 0.001 0.000 0.243 107 I C 2.119 178.201 176.117 -0.057 0.000 1.094 107 I CA 1.522 62.814 61.300 -0.013 0.000 1.393 107 I CB -1.097 36.911 38.000 0.015 0.000 1.078 107 I HN -0.019 nan 8.210 nan 0.000 0.417 108 E N 1.704 121.860 120.200 -0.074 0.000 2.007 108 E HA -0.133 4.218 4.350 0.001 0.000 0.194 108 E C 0.690 177.238 176.600 -0.087 0.000 0.999 108 E CA 1.390 57.740 56.400 -0.083 0.000 0.811 108 E CB -0.155 29.478 29.700 -0.113 0.000 0.762 108 E HN 0.255 nan 8.360 nan 0.000 0.450 109 K N 1.345 121.681 120.400 -0.107 0.000 2.083 109 K HA 0.199 4.519 4.320 0.001 0.000 0.246 109 K C -0.199 176.328 176.600 -0.121 0.000 1.160 109 K CA 0.298 56.527 56.287 -0.096 0.000 1.060 109 K CB -0.222 32.221 32.500 -0.096 0.000 1.417 109 K HN 0.285 nan 8.250 nan 0.000 0.329 110 G N 4.186 112.899 108.800 -0.146 0.000 2.406 110 G HA2 -0.118 3.842 3.960 0.001 0.000 0.291 110 G HA3 -0.118 3.842 3.960 0.001 0.000 0.291 110 G C 0.287 174.797 174.900 -0.650 0.000 0.640 110 G CA -0.153 44.742 45.100 -0.343 0.000 2.035 110 G HN 0.354 nan 8.290 nan 0.000 0.489 111 I N 0.604 120.857 120.570 -0.529 0.000 2.677 111 I HA 0.393 4.564 4.170 0.001 0.000 0.305 111 I C 0.560 176.233 176.117 -0.739 0.000 0.988 111 I CA -1.064 59.980 61.300 -0.426 0.000 1.260 111 I CB 1.130 39.146 38.000 0.026 0.000 1.410 111 I HN 0.467 nan 8.210 nan 0.000 0.523 112 Y N 0.626 120.959 120.300 0.055 0.000 2.728 112 Y HA 0.044 4.595 4.550 0.001 0.000 0.267 112 Y C 1.118 177.023 175.900 0.007 0.000 1.169 112 Y CA -0.152 57.962 58.100 0.024 0.000 1.168 112 Y CB 0.277 38.758 38.460 0.035 0.000 1.370 112 Y HN 0.576 nan 8.280 nan 0.000 0.482 113 T N -1.407 113.248 114.554 0.169 0.000 2.942 113 T HA 0.355 4.705 4.350 0.001 0.000 0.289 113 T C 0.821 175.509 174.700 -0.021 0.000 1.044 113 T CA -0.662 61.499 62.100 0.103 0.000 1.023 113 T CB 1.598 70.590 68.868 0.207 0.000 1.123 113 T HN -0.040 nan 8.240 nan 0.000 0.512 114 I N 1.175 121.597 120.570 -0.247 0.000 2.233 114 I HA 0.072 4.242 4.170 0.001 0.000 0.243 114 I C -0.642 175.556 176.117 0.136 0.000 1.093 114 I CA 0.049 61.223 61.300 -0.210 0.000 1.380 114 I CB -2.763 34.899 38.000 -0.563 0.000 1.067 114 I HN 0.519 nan 8.210 nan 0.000 0.413 115 P HA -0.240 nan 4.420 nan 0.000 0.218 115 P C 1.685 179.126 177.300 0.235 0.000 1.154 115 P CA 1.695 64.957 63.100 0.271 0.000 0.872 115 P CB -0.050 31.786 31.700 0.227 0.000 0.790 116 E N -1.511 118.805 120.200 0.193 0.000 2.058 116 E HA -0.221 4.129 4.350 0.001 0.000 0.194 116 E C 1.891 178.610 176.600 0.198 0.000 0.997 116 E CA 0.847 57.351 56.400 0.174 0.000 0.801 116 E CB -0.564 29.235 29.700 0.165 0.000 0.746 116 E HN 0.069 nan 8.360 nan 0.000 0.450 117 F N 0.849 120.850 119.950 0.084 0.000 2.154 117 F HA -0.227 4.300 4.527 0.001 0.000 0.301 117 F C 1.834 177.724 175.800 0.151 0.000 1.087 117 F CA 1.266 59.328 58.000 0.104 0.000 1.274 117 F CB -0.377 38.706 39.000 0.140 0.000 1.009 117 F HN -0.094 nan 8.300 nan 0.000 0.485 118 V N 0.259 120.241 119.914 0.114 0.000 2.255 118 V HA -0.273 3.847 4.120 0.001 0.000 0.243 118 V C 2.392 178.540 176.094 0.091 0.000 1.038 118 V CA 2.150 64.529 62.300 0.131 0.000 1.008 118 V CB -0.911 31.117 31.823 0.342 0.000 0.645 118 V HN 0.346 nan 8.190 nan 0.000 0.449 119 E N 0.179 120.450 120.200 0.117 0.000 2.097 119 E HA -0.333 4.018 4.350 0.001 0.000 0.196 119 E C 2.186 178.800 176.600 0.023 0.000 1.000 119 E CA 1.827 58.279 56.400 0.087 0.000 0.804 119 E CB -0.025 29.729 29.700 0.090 0.000 0.740 119 E HN 0.419 nan 8.360 nan 0.000 0.454 120 K N 0.531 120.923 120.400 -0.013 0.000 2.062 120 K HA -0.137 4.184 4.320 0.001 0.000 0.205 120 K C 2.090 178.582 176.600 -0.181 0.000 1.051 120 K CA 1.329 57.580 56.287 -0.061 0.000 0.941 120 K CB -0.080 32.409 32.500 -0.017 0.000 0.719 120 K HN -0.100 nan 8.250 nan 0.000 0.440 121 R N -1.232 119.050 120.500 -0.364 0.000 2.161 121 R HA 0.163 4.504 4.340 0.001 0.000 0.213 121 R C 0.784 176.627 176.300 -0.761 0.000 1.055 121 R CA 1.396 57.091 56.100 -0.675 0.000 0.996 121 R CB 0.003 29.623 30.300 -1.134 0.000 0.901 121 R HN 0.302 nan 8.270 nan 0.000 0.456 122 F N -2.802 117.076 119.950 -0.120 0.000 1.939 122 F HA 0.390 4.917 4.527 0.001 0.000 0.225 122 F C -0.165 175.616 175.800 -0.033 0.000 1.213 122 F CA -0.655 57.305 58.000 -0.067 0.000 1.303 122 F CB 0.390 39.357 39.000 -0.055 0.000 1.808 122 F HN -0.137 nan 8.300 nan 0.000 0.329 123 N N -1.202 117.637 118.700 0.231 0.000 2.710 123 N HA 0.339 5.079 4.740 0.001 0.000 0.257 123 N C 0.072 175.660 175.510 0.130 0.000 1.140 123 N CA 0.464 53.602 53.050 0.148 0.000 0.953 123 N CB 1.613 40.178 38.487 0.130 0.000 1.664 123 N HN 0.129 nan 8.380 nan 0.000 0.497 124 K N 1.614 122.080 120.400 0.110 0.000 2.103 124 K HA -0.092 4.229 4.320 0.001 0.000 0.204 124 K C 1.667 178.397 176.600 0.216 0.000 1.052 124 K CA 1.999 58.360 56.287 0.124 0.000 0.945 124 K CB -0.556 31.972 32.500 0.046 0.000 0.722 124 K HN 0.667 nan 8.250 nan 0.000 0.443 125 K N 0.102 120.630 120.400 0.214 0.000 1.985 125 K HA -0.118 4.202 4.320 0.001 0.000 0.210 125 K C 2.212 178.851 176.600 0.064 0.000 1.047 125 K CA 1.627 58.023 56.287 0.182 0.000 0.932 125 K CB -0.420 32.144 32.500 0.107 0.000 0.716 125 K HN 0.176 nan 8.250 nan 0.000 0.439 126 L N 2.023 123.263 121.223 0.028 0.000 2.021 126 L HA -0.241 4.100 4.340 0.001 0.000 0.215 126 L C 2.568 179.442 176.870 0.007 0.000 1.074 126 L CA 2.098 56.916 54.840 -0.036 0.000 0.760 126 L CB -0.532 41.488 42.059 -0.065 0.000 0.889 126 L HN 0.319 nan 8.230 nan 0.000 0.433 127 K N -1.446 119.018 120.400 0.108 0.000 2.063 127 K HA -0.194 4.127 4.320 0.001 0.000 0.208 127 K C 1.854 178.554 176.600 0.167 0.000 1.048 127 K CA 2.075 58.471 56.287 0.182 0.000 0.928 127 K CB -0.264 32.361 32.500 0.209 0.000 0.713 127 K HN 0.450 nan 8.250 nan 0.000 0.442 128 T N 1.734 116.377 114.554 0.149 0.000 2.821 128 T HA -0.087 4.264 4.350 0.001 0.000 0.267 128 T C 1.890 176.582 174.700 -0.013 0.000 1.046 128 T CA 1.296 63.476 62.100 0.134 0.000 1.139 128 T CB -0.136 68.850 68.868 0.198 0.000 0.871 128 T HN 0.195 nan 8.240 nan 0.000 0.454 129 I N 0.566 121.054 120.570 -0.137 0.000 2.118 129 I HA -0.205 3.965 4.170 0.001 0.000 0.241 129 I C 2.169 177.941 176.117 -0.575 0.000 1.070 129 I CA 1.211 62.286 61.300 -0.375 0.000 1.327 129 I CB -0.331 37.421 38.000 -0.414 0.000 1.034 129 I HN 0.174 nan 8.210 nan 0.000 0.405 130 L N 0.648 121.633 121.223 -0.398 0.000 2.046 130 L HA -0.193 4.147 4.340 0.001 0.000 0.208 130 L C 2.715 179.536 176.870 -0.082 0.000 1.077 130 L CA 2.097 56.662 54.840 -0.458 0.000 0.747 130 L CB -1.183 40.601 42.059 -0.459 0.000 0.896 130 L HN 0.224 nan 8.230 nan 0.000 0.432 131 A N -0.625 122.340 122.820 0.242 0.000 1.903 131 A HA -0.241 4.079 4.320 0.001 0.000 0.219 131 A C 2.363 180.132 177.584 0.307 0.000 1.191 131 A CA 2.464 54.755 52.037 0.424 0.000 0.638 131 A CB -1.144 18.045 19.000 0.314 0.000 0.823 131 A HN 0.247 nan 8.150 nan 0.000 0.451 132 V N -1.030 118.947 119.914 0.106 0.000 2.295 132 V HA -0.278 3.843 4.120 0.001 0.000 0.246 132 V C 2.345 178.589 176.094 0.250 0.000 1.049 132 V CA 2.106 64.476 62.300 0.116 0.000 1.024 132 V CB -1.195 30.622 31.823 -0.010 0.000 0.648 132 V HN 0.635 nan 8.190 nan 0.000 0.447 133 F N -1.536 118.448 119.950 0.058 0.000 2.095 133 F HA -0.228 4.300 4.527 0.001 0.000 0.298 133 F C 2.536 178.411 175.800 0.125 0.000 1.104 133 F CA 1.417 59.421 58.000 0.006 0.000 1.232 133 F CB -0.394 38.500 39.000 -0.177 0.000 0.987 133 F HN 0.233 nan 8.300 nan 0.000 0.475 134 W N 1.745 123.290 121.300 0.409 0.000 2.311 134 W HA -0.222 4.439 4.660 0.001 0.000 0.326 134 W C 2.615 179.420 176.519 0.477 0.000 1.239 134 W CA 1.881 59.501 57.345 0.458 0.000 1.258 134 W CB -1.276 28.497 29.460 0.522 0.000 1.165 134 W HN 0.126 nan 8.180 nan 0.000 0.466 135 I N -0.577 120.327 120.570 0.556 0.000 2.145 135 I HA -0.345 3.826 4.170 0.001 0.000 0.244 135 I C 2.115 178.324 176.117 0.153 0.000 1.075 135 I CA 2.358 63.839 61.300 0.302 0.000 1.332 135 I CB -1.338 36.763 38.000 0.169 0.000 1.033 135 I HN -0.229 nan 8.210 nan 0.000 0.410 136 S N 1.995 117.783 115.700 0.146 0.000 2.368 136 S HA -0.230 4.240 4.470 0.001 0.000 0.226 136 S C 2.054 176.655 174.600 0.002 0.000 1.044 136 S CA 2.173 60.392 58.200 0.031 0.000 1.062 136 S CB -0.900 62.466 63.200 0.277 0.000 0.931 136 S HN 0.688 nan 8.310 nan 0.000 0.440 137 L N -0.218 121.103 121.223 0.163 0.000 2.056 137 L HA -0.116 4.224 4.340 0.001 0.000 0.207 137 L C 2.203 179.095 176.870 0.037 0.000 1.078 137 L CA 1.554 56.455 54.840 0.101 0.000 0.749 137 L CB -0.416 41.694 42.059 0.085 0.000 0.901 137 L HN 0.206 nan 8.230 nan 0.000 0.433 138 Y N 0.414 120.758 120.300 0.073 0.000 2.181 138 Y HA -0.229 4.322 4.550 0.001 0.000 0.288 138 Y C 2.378 178.259 175.900 -0.032 0.000 1.146 138 Y CA 2.012 60.137 58.100 0.043 0.000 1.164 138 Y CB -0.291 38.197 38.460 0.045 0.000 0.982 138 Y HN 0.174 nan 8.280 nan 0.000 0.515 139 I N -1.228 119.329 120.570 -0.022 0.000 2.110 139 I HA -0.319 3.852 4.170 0.001 0.000 0.236 139 I C 1.862 177.931 176.117 -0.080 0.000 1.068 139 I CA 1.645 62.825 61.300 -0.200 0.000 1.333 139 I CB -0.564 37.051 38.000 -0.640 0.000 1.054 139 I HN 0.100 nan 8.210 nan 0.000 0.402 140 F N -0.439 119.564 119.950 0.088 0.000 2.325 140 F HA -0.113 4.414 4.527 0.001 0.000 0.299 140 F C 2.156 178.018 175.800 0.103 0.000 1.090 140 F CA 0.706 58.745 58.000 0.066 0.000 1.392 140 F CB -0.150 38.866 39.000 0.026 0.000 1.053 140 F HN 0.011 nan 8.300 nan 0.000 0.521 141 V N -0.692 119.353 119.914 0.219 0.000 3.204 141 V HA 0.012 4.132 4.120 0.001 0.000 0.218 141 V C 1.916 178.103 176.094 0.156 0.000 1.159 141 V CA 0.627 63.035 62.300 0.180 0.000 1.282 141 V CB -0.621 31.161 31.823 -0.069 0.000 1.225 141 V HN 0.038 nan 8.190 nan 0.000 0.509 142 N N 0.741 119.485 118.700 0.072 0.000 2.037 142 N HA -0.193 4.547 4.740 0.001 0.000 0.196 142 N C 1.876 177.465 175.510 0.131 0.000 1.034 142 N CA 2.612 55.708 53.050 0.076 0.000 0.861 142 N CB -0.658 37.841 38.487 0.020 0.000 1.039 142 N HN 0.524 nan 8.380 nan 0.000 0.427 143 L N 0.714 122.020 121.223 0.139 0.000 1.988 143 L HA -0.141 4.199 4.340 0.001 0.000 0.207 143 L C 2.447 179.404 176.870 0.145 0.000 1.071 143 L CA 1.229 56.151 54.840 0.136 0.000 0.744 143 L CB -1.038 41.090 42.059 0.115 0.000 0.893 143 L HN 0.163 nan 8.230 nan 0.000 0.433 144 T N -0.135 114.512 114.554 0.154 0.000 2.597 144 T HA -0.272 4.078 4.350 0.001 0.000 0.267 144 T C 2.097 176.910 174.700 0.188 0.000 1.053 144 T CA 2.164 64.362 62.100 0.163 0.000 1.165 144 T CB -0.455 68.522 68.868 0.181 0.000 0.863 144 T HN 0.589 nan 8.240 nan 0.000 0.427 145 S N 1.197 117.028 115.700 0.219 0.000 2.359 145 S HA -0.133 4.337 4.470 0.001 0.000 0.223 145 S C 2.183 176.935 174.600 0.254 0.000 1.039 145 S CA 1.606 59.956 58.200 0.252 0.000 1.042 145 S CB -1.053 62.304 63.200 0.261 0.000 0.915 145 S HN 0.322 nan 8.310 nan 0.000 0.439 146 V N 2.074 122.105 119.914 0.195 0.000 2.427 146 V HA -0.037 4.084 4.120 0.001 0.000 0.248 146 V C 2.578 178.760 176.094 0.147 0.000 1.051 146 V CA 1.469 63.869 62.300 0.166 0.000 1.048 146 V CB -0.912 30.999 31.823 0.145 0.000 0.666 146 V HN 0.428 nan 8.190 nan 0.000 0.456 147 L N -1.105 120.209 121.223 0.151 0.000 2.012 147 L HA -0.245 4.095 4.340 0.001 0.000 0.210 147 L C 2.475 179.428 176.870 0.137 0.000 1.073 147 L CA 2.319 57.236 54.840 0.129 0.000 0.748 147 L CB -0.591 41.543 42.059 0.126 0.000 0.891 147 L HN 0.467 nan 8.230 nan 0.000 0.431 148 Y N 0.358 120.694 120.300 0.059 0.000 2.092 148 Y HA -0.242 4.309 4.550 0.001 0.000 0.282 148 Y C 2.389 178.325 175.900 0.060 0.000 1.126 148 Y CA 1.512 59.640 58.100 0.047 0.000 1.111 148 Y CB -0.419 38.059 38.460 0.029 0.000 0.987 148 Y HN -0.057 nan 8.280 nan 0.000 0.489 149 L N 0.148 121.397 121.223 0.043 0.000 2.081 149 L HA -0.263 4.078 4.340 0.001 0.000 0.212 149 L C 2.666 179.500 176.870 -0.060 0.000 1.080 149 L CA 1.516 56.334 54.840 -0.038 0.000 0.754 149 L CB -1.255 40.896 42.059 0.153 0.000 0.893 149 L HN 0.533 nan 8.230 nan 0.000 0.433 150 G N -0.645 108.156 108.800 0.002 0.000 2.433 150 G HA2 -0.194 3.766 3.960 0.001 0.000 0.216 150 G HA3 -0.194 3.766 3.960 0.001 0.000 0.216 150 G C 1.564 176.447 174.900 -0.029 0.000 1.186 150 G CA 0.715 45.821 45.100 0.011 0.000 0.779 150 G HN 0.486 nan 8.290 nan 0.000 0.543 151 G N 0.997 109.758 108.800 -0.065 0.000 2.491 151 G HA2 -0.240 3.720 3.960 0.001 0.000 0.218 151 G HA3 -0.240 3.720 3.960 0.001 0.000 0.218 151 G C 1.812 176.645 174.900 -0.111 0.000 1.180 151 G CA 0.874 45.929 45.100 -0.074 0.000 0.774 151 G HN 0.395 nan 8.290 nan 0.000 0.562 152 L N 0.630 121.707 121.223 -0.244 0.000 2.034 152 L HA -0.265 4.076 4.340 0.001 0.000 0.217 152 L C 3.459 180.287 176.870 -0.070 0.000 1.077 152 L CA 1.539 56.251 54.840 -0.213 0.000 0.769 152 L CB -0.533 41.329 42.059 -0.329 0.000 0.890 152 L HN 0.371 nan 8.230 nan 0.000 0.435 153 A N -0.190 122.615 122.820 -0.024 0.000 1.908 153 A HA -0.196 4.124 4.320 0.001 0.000 0.218 153 A C 2.181 179.800 177.584 0.058 0.000 1.181 153 A CA 1.617 53.686 52.037 0.054 0.000 0.627 153 A CB -0.615 18.442 19.000 0.095 0.000 0.818 153 A HN 0.403 nan 8.150 nan 0.000 0.445 154 L N -0.976 120.276 121.223 0.049 0.000 2.023 154 L HA -0.180 4.161 4.340 0.001 0.000 0.205 154 L C 2.661 179.521 176.870 -0.016 0.000 1.073 154 L CA 1.746 56.614 54.840 0.047 0.000 0.745 154 L CB -0.766 41.322 42.059 0.049 0.000 0.900 154 L HN 0.663 nan 8.230 nan 0.000 0.435 155 E N 0.049 120.238 120.200 -0.019 0.000 2.136 155 E HA -0.269 4.081 4.350 0.001 0.000 0.202 155 E C 1.837 178.422 176.600 -0.025 0.000 1.019 155 E CA 2.400 58.784 56.400 -0.027 0.000 0.819 155 E CB -0.046 29.638 29.700 -0.027 0.000 0.739 155 E HN 0.418 nan 8.360 nan 0.000 0.458 156 T N 0.820 115.367 114.554 -0.010 0.000 2.735 156 T HA -0.018 4.332 4.350 0.001 0.000 0.256 156 T C 1.954 176.641 174.700 -0.021 0.000 1.042 156 T CA 1.033 63.144 62.100 0.018 0.000 1.147 156 T CB -0.307 68.597 68.868 0.060 0.000 0.865 156 T HN 0.235 nan 8.240 nan 0.000 0.421 157 I N 0.167 120.706 120.570 -0.052 0.000 2.315 157 I HA 0.037 4.207 4.170 0.001 0.000 0.248 157 I C 0.380 176.354 176.117 -0.238 0.000 1.117 157 I CA 1.019 62.234 61.300 -0.142 0.000 1.404 157 I CB 0.106 38.023 38.000 -0.137 0.000 1.071 157 I HN 0.113 nan 8.210 nan 0.000 0.419 158 L N -0.770 120.318 121.223 -0.224 0.000 2.492 158 L HA 0.470 4.811 4.340 0.001 0.000 0.263 158 L C 0.565 177.360 176.870 -0.124 0.000 1.062 158 L CA -0.624 54.084 54.840 -0.220 0.000 0.817 158 L CB 0.646 42.565 42.059 -0.233 0.000 1.441 158 L HN -0.084 nan 8.230 nan 0.000 0.493 159 G N 1.129 109.864 108.800 -0.109 0.000 3.444 159 G HA2 0.607 4.568 3.960 0.001 0.000 0.315 159 G HA3 0.607 4.568 3.960 0.001 0.000 0.315 159 G C -0.623 174.232 174.900 -0.076 0.000 1.079 159 G CA 0.010 45.062 45.100 -0.079 0.000 1.500 159 G HN 0.259 nan 8.290 nan 0.000 0.518 160 I N 1.647 122.178 120.570 -0.064 0.000 2.969 160 I HA 0.475 4.646 4.170 0.001 0.000 0.307 160 I C -2.287 173.806 176.117 -0.041 0.000 1.149 160 I CA -2.539 58.725 61.300 -0.061 0.000 1.008 160 I CB 3.779 41.754 38.000 -0.042 0.000 1.232 160 I HN 0.161 nan 8.210 nan 0.000 0.435 161 P HA 0.229 nan 4.420 nan 0.000 0.287 161 P C 0.233 177.574 177.300 0.069 0.000 1.270 161 P CA -0.552 62.556 63.100 0.013 0.000 0.844 161 P CB 1.838 33.542 31.700 0.007 0.000 1.068 162 L N 2.354 123.614 121.223 0.063 0.000 1.994 162 L HA -0.122 4.218 4.340 0.001 0.000 0.208 162 L C 2.411 179.332 176.870 0.085 0.000 1.071 162 L CA 2.141 57.014 54.840 0.055 0.000 0.745 162 L CB -1.147 40.944 42.059 0.052 0.000 0.892 162 L HN 0.268 nan 8.230 nan 0.000 0.431 163 M N -1.707 117.959 119.600 0.110 0.000 2.117 163 M HA -0.237 4.244 4.480 0.001 0.000 0.262 163 M C 2.083 178.412 176.300 0.048 0.000 1.065 163 M CA 1.804 57.147 55.300 0.073 0.000 1.114 163 M CB -0.642 31.992 32.600 0.057 0.000 1.361 163 M HN 0.316 nan 8.290 nan 0.000 0.408 164 Y N -0.778 119.519 120.300 -0.005 0.000 2.224 164 Y HA -0.172 4.378 4.550 0.001 0.000 0.289 164 Y C 2.653 178.533 175.900 -0.034 0.000 1.146 164 Y CA 1.863 59.953 58.100 -0.016 0.000 1.182 164 Y CB -0.836 37.612 38.460 -0.019 0.000 0.983 164 Y HN 0.249 nan 8.280 nan 0.000 0.524 165 S N 0.357 116.128 115.700 0.120 0.000 2.348 165 S HA -0.189 4.281 4.470 0.001 0.000 0.221 165 S C 2.129 176.730 174.600 0.002 0.000 1.033 165 S CA 1.650 59.870 58.200 0.033 0.000 1.010 165 S CB -0.718 62.492 63.200 0.018 0.000 0.891 165 S HN 0.614 nan 8.310 nan 0.000 0.442 166 I N -0.548 120.033 120.570 0.019 0.000 2.454 166 I HA -0.099 4.072 4.170 0.001 0.000 0.254 166 I C 1.795 177.917 176.117 0.008 0.000 1.156 166 I CA 1.458 62.771 61.300 0.022 0.000 1.433 166 I CB -0.376 37.653 38.000 0.048 0.000 1.082 166 I HN 0.172 nan 8.210 nan 0.000 0.432 167 L N 1.350 122.565 121.223 -0.014 0.000 2.162 167 L HA 0.149 4.489 4.340 0.001 0.000 0.205 167 L C 2.801 179.651 176.870 -0.033 0.000 1.086 167 L CA 1.039 55.862 54.840 -0.027 0.000 0.778 167 L CB -0.935 41.076 42.059 -0.080 0.000 0.928 167 L HN 0.376 nan 8.230 nan 0.000 0.446 168 G N 0.198 108.957 108.800 -0.068 0.000 2.462 168 G HA2 -0.193 3.768 3.960 0.001 0.000 0.220 168 G HA3 -0.193 3.768 3.960 0.001 0.000 0.220 168 G C 1.611 176.319 174.900 -0.319 0.000 1.121 168 G CA 0.573 45.553 45.100 -0.198 0.000 0.758 168 G HN 0.206 nan 8.290 nan 0.000 0.559 169 L N 0.141 121.283 121.223 -0.135 0.000 2.102 169 L HA 0.123 4.464 4.340 0.001 0.000 0.202 169 L C 3.368 180.279 176.870 0.068 0.000 1.076 169 L CA 0.794 55.607 54.840 -0.046 0.000 0.761 169 L CB -0.375 41.683 42.059 -0.002 0.000 0.921 169 L HN 0.268 nan 8.230 nan 0.000 0.444 170 A N 0.336 123.191 122.820 0.057 0.000 1.877 170 A HA -0.199 4.121 4.320 0.001 0.000 0.216 170 A C 2.243 179.904 177.584 0.128 0.000 1.186 170 A CA 1.499 53.586 52.037 0.085 0.000 0.620 170 A CB -0.863 18.169 19.000 0.053 0.000 0.822 170 A HN 0.326 nan 8.150 nan 0.000 0.443 171 L N -1.939 119.370 121.223 0.143 0.000 2.043 171 L HA -0.223 4.118 4.340 0.001 0.000 0.212 171 L C 2.501 179.576 176.870 0.341 0.000 1.075 171 L CA 1.407 56.377 54.840 0.217 0.000 0.752 171 L CB -0.464 41.742 42.059 0.245 0.000 0.891 171 L HN 0.377 nan 8.230 nan 0.000 0.432 172 F N -0.424 119.554 119.950 0.047 0.000 2.187 172 F HA -0.058 4.470 4.527 0.001 0.000 0.295 172 F C 2.550 178.399 175.800 0.083 0.000 1.091 172 F CA 0.685 58.717 58.000 0.053 0.000 1.308 172 F CB -1.123 37.894 39.000 0.029 0.000 1.030 172 F HN -0.012 nan 8.300 nan 0.000 0.487 173 A N 0.144 123.128 122.820 0.274 0.000 1.978 173 A HA -0.157 4.163 4.320 0.001 0.000 0.220 173 A C 2.316 180.005 177.584 0.175 0.000 1.170 173 A CA 1.464 53.628 52.037 0.211 0.000 0.636 173 A CB -1.069 18.028 19.000 0.162 0.000 0.810 173 A HN 0.375 nan 8.150 nan 0.000 0.448 174 L N -0.854 120.453 121.223 0.140 0.000 1.976 174 L HA -0.165 4.176 4.340 0.001 0.000 0.209 174 L C 2.560 179.477 176.870 0.078 0.000 1.071 174 L CA 1.355 56.250 54.840 0.091 0.000 0.746 174 L CB -0.730 41.376 42.059 0.077 0.000 0.890 174 L HN 0.235 nan 8.230 nan 0.000 0.432 175 V N -0.935 119.024 119.914 0.075 0.000 2.332 175 V HA -0.346 3.774 4.120 0.001 0.000 0.248 175 V C 2.236 178.371 176.094 0.068 0.000 1.055 175 V CA 1.907 64.226 62.300 0.032 0.000 1.038 175 V CB -0.762 31.033 31.823 -0.047 0.000 0.651 175 V HN 0.421 nan 8.190 nan 0.000 0.450 176 Y N 1.008 121.288 120.300 -0.034 0.000 2.497 176 Y HA -0.151 4.400 4.550 0.001 0.000 0.292 176 Y C 2.505 178.402 175.900 -0.005 0.000 1.137 176 Y CA 1.243 59.331 58.100 -0.020 0.000 1.285 176 Y CB -0.142 38.322 38.460 0.006 0.000 0.991 176 Y HN 0.254 nan 8.280 nan 0.000 0.556 177 S N -0.377 115.300 115.700 -0.039 0.000 2.371 177 S HA 0.093 4.564 4.470 0.001 0.000 0.221 177 S C 0.606 175.150 174.600 -0.093 0.000 1.036 177 S CA 0.545 58.679 58.200 -0.110 0.000 0.965 177 S CB 0.053 63.232 63.200 -0.036 0.000 0.845 177 S HN 0.112 nan 8.310 nan 0.000 0.475 186 V N -2.742 117.292 119.914 0.200 0.000 3.337 186 V HA 0.126 4.246 4.120 0.001 0.000 0.307 186 V C 1.285 177.527 176.094 0.245 0.000 1.505 186 V CA 0.560 62.983 62.300 0.205 0.000 1.072 186 V CB -0.084 31.836 31.823 0.162 0.000 0.929 186 V HN 0.742 nan 8.190 nan 0.000 0.455 187 W N 2.615 123.966 121.300 0.086 0.000 2.358 187 W HA -0.221 4.439 4.660 0.001 0.000 0.303 187 W C 2.528 179.104 176.519 0.094 0.000 1.208 187 W CA 2.644 60.036 57.345 0.078 0.000 1.274 187 W CB 0.106 29.605 29.460 0.065 0.000 1.138 187 W HN 0.380 nan 8.180 nan 0.000 0.515 188 T N -2.738 112.139 114.554 0.539 0.000 2.851 188 T HA -0.148 4.202 4.350 0.001 0.000 0.262 188 T C 1.400 176.228 174.700 0.213 0.000 1.043 188 T CA 1.451 63.802 62.100 0.418 0.000 1.140 188 T CB -0.683 68.463 68.868 0.463 0.000 0.872 188 T HN -0.034 nan 8.240 nan 0.000 0.446 189 D N 0.599 121.125 120.400 0.210 0.000 2.378 189 D HA 0.110 4.750 4.640 0.001 0.000 0.227 189 D C 1.687 178.078 176.300 0.152 0.000 1.012 189 D CA 0.187 54.298 54.000 0.185 0.000 0.905 189 D CB 0.437 41.352 40.800 0.191 0.000 0.895 189 D HN 0.354 nan 8.370 nan 0.000 0.532 190 V N 0.028 119.992 119.914 0.083 0.000 2.743 190 V HA 0.013 4.134 4.120 0.001 0.000 0.237 190 V C 2.390 178.478 176.094 -0.010 0.000 1.113 190 V CA 0.086 62.412 62.300 0.044 0.000 1.141 190 V CB 0.226 32.038 31.823 -0.017 0.000 0.873 190 V HN 0.093 nan 8.190 nan 0.000 0.486 191 I N 0.411 120.883 120.570 -0.163 0.000 2.335 191 I HA -0.266 3.905 4.170 0.001 0.000 0.251 191 I C 2.646 178.743 176.117 -0.033 0.000 1.129 191 I CA 1.309 62.457 61.300 -0.253 0.000 1.402 191 I CB -0.279 37.421 38.000 -0.501 0.000 1.069 191 I HN 0.406 nan 8.210 nan 0.000 0.424 192 Q N 0.044 119.935 119.800 0.152 0.000 2.083 192 Q HA -0.104 4.236 4.340 0.001 0.000 0.198 192 Q C 2.528 178.699 176.000 0.285 0.000 0.969 192 Q CA 1.150 57.144 55.803 0.318 0.000 0.838 192 Q CB -0.460 28.432 28.738 0.257 0.000 0.900 192 Q HN 0.374 nan 8.270 nan 0.000 0.436 193 V N 1.362 121.412 119.914 0.227 0.000 2.287 193 V HA -0.254 3.866 4.120 0.001 0.000 0.248 193 V C 2.118 178.347 176.094 0.224 0.000 1.053 193 V CA 2.002 64.440 62.300 0.229 0.000 1.027 193 V CB -0.700 31.253 31.823 0.217 0.000 0.646 193 V HN 0.301 nan 8.190 nan 0.000 0.447 194 F N 0.097 120.086 119.950 0.064 0.000 2.069 194 F HA -0.220 4.307 4.527 0.001 0.000 0.298 194 F C 2.059 177.929 175.800 0.116 0.000 1.113 194 F CA 1.775 59.791 58.000 0.027 0.000 1.214 194 F CB -0.650 38.286 39.000 -0.106 0.000 0.978 194 F HN 0.144 nan 8.300 nan 0.000 0.474 195 F N 1.090 120.941 119.950 -0.165 0.000 2.043 195 F HA -0.270 4.258 4.527 0.001 0.000 0.297 195 F C 2.283 177.949 175.800 -0.223 0.000 1.118 195 F CA 1.954 59.797 58.000 -0.261 0.000 1.202 195 F CB -1.181 37.818 39.000 -0.001 0.000 0.965 195 F HN 0.032 nan 8.300 nan 0.000 0.482 196 L N -1.709 119.614 121.223 0.165 0.000 2.270 196 L HA -0.085 4.255 4.340 0.001 0.000 0.210 196 L C 2.242 179.265 176.870 0.256 0.000 1.104 196 L CA 0.177 55.101 54.840 0.140 0.000 0.804 196 L CB -0.576 41.615 42.059 0.221 0.000 0.937 196 L HN -0.076 nan 8.230 nan 0.000 0.450 197 V N 0.237 120.274 119.914 0.205 0.000 2.343 197 V HA -0.284 3.837 4.120 0.001 0.000 0.247 197 V C 2.400 178.597 176.094 0.171 0.000 1.051 197 V CA 1.617 64.041 62.300 0.207 0.000 1.036 197 V CB -0.250 31.653 31.823 0.135 0.000 0.654 197 V HN 0.295 nan 8.190 nan 0.000 0.451 198 L N 0.840 122.064 121.223 0.002 0.000 2.056 198 L HA -0.002 4.338 4.340 0.001 0.000 0.207 198 L C 2.329 179.294 176.870 0.158 0.000 1.078 198 L CA 2.284 57.146 54.840 0.036 0.000 0.749 198 L CB -1.140 40.771 42.059 -0.246 0.000 0.901 198 L HN 0.287 nan 8.230 nan 0.000 0.433 199 G N -1.048 107.808 108.800 0.093 0.000 2.480 199 G HA2 -0.251 3.709 3.960 0.001 0.000 0.216 199 G HA3 -0.251 3.709 3.960 0.001 0.000 0.216 199 G C 1.538 176.575 174.900 0.228 0.000 1.200 199 G CA 0.615 45.775 45.100 0.099 0.000 0.782 199 G HN 0.558 nan 8.290 nan 0.000 0.554 200 G N 0.270 109.288 108.800 0.364 0.000 2.442 200 G HA2 -0.222 3.738 3.960 0.001 0.000 0.219 200 G HA3 -0.222 3.738 3.960 0.001 0.000 0.219 200 G C 1.661 176.857 174.900 0.495 0.000 1.141 200 G CA 1.069 46.524 45.100 0.592 0.000 0.763 200 G HN 0.400 nan 8.290 nan 0.000 0.554 201 F N 0.708 120.822 119.950 0.273 0.000 2.146 201 F HA 0.060 4.587 4.527 0.001 0.000 0.298 201 F C 2.572 178.504 175.800 0.220 0.000 1.096 201 F CA 1.183 59.321 58.000 0.230 0.000 1.275 201 F CB -0.050 39.033 39.000 0.138 0.000 1.008 201 F HN -0.017 nan 8.300 nan 0.000 0.480 202 M N 0.387 120.013 119.600 0.043 0.000 2.065 202 M HA -0.197 4.284 4.480 0.001 0.000 0.259 202 M C 2.243 178.521 176.300 -0.037 0.000 1.071 202 M CA 2.248 57.501 55.300 -0.079 0.000 1.109 202 M CB -1.661 30.947 32.600 0.013 0.000 1.313 202 M HN 0.134 nan 8.290 nan 0.000 0.408 203 T N -0.018 114.549 114.554 0.022 0.000 2.597 203 T HA -0.214 4.137 4.350 0.001 0.000 0.267 203 T C 1.870 176.610 174.700 0.067 0.000 1.053 203 T CA 2.524 64.619 62.100 -0.008 0.000 1.165 203 T CB -0.629 68.216 68.868 -0.039 0.000 0.863 203 T HN 0.439 nan 8.240 nan 0.000 0.427 204 T N 0.307 114.967 114.554 0.177 0.000 2.720 204 T HA -0.149 4.202 4.350 0.001 0.000 0.268 204 T C 1.659 176.478 174.700 0.199 0.000 1.037 204 T CA 1.559 63.800 62.100 0.235 0.000 1.144 204 T CB -0.515 68.558 68.868 0.341 0.000 0.864 204 T HN 0.522 nan 8.240 nan 0.000 0.444 205 Y N 2.394 122.638 120.300 -0.094 0.000 2.070 205 Y HA -0.208 4.342 4.550 0.001 0.000 0.280 205 Y C 2.313 178.247 175.900 0.058 0.000 1.148 205 Y CA 2.414 60.436 58.100 -0.130 0.000 1.125 205 Y CB -0.692 37.362 38.460 -0.676 0.000 0.975 205 Y HN 0.393 nan 8.280 nan 0.000 0.492 206 M N 0.028 119.541 119.600 -0.145 0.000 2.229 206 M HA 0.029 4.510 4.480 0.001 0.000 0.264 206 M C 2.151 178.429 176.300 -0.036 0.000 1.063 206 M CA 1.942 57.117 55.300 -0.209 0.000 1.114 206 M CB -0.755 31.752 32.600 -0.155 0.000 1.387 206 M HN 0.195 nan 8.290 nan 0.000 0.420 207 A N 1.111 123.970 122.820 0.065 0.000 1.858 207 A HA -0.057 4.263 4.320 0.001 0.000 0.216 207 A C 2.248 179.961 177.584 0.214 0.000 1.190 207 A CA 2.154 54.315 52.037 0.207 0.000 0.617 207 A CB -1.187 17.930 19.000 0.195 0.000 0.827 207 A HN 0.398 nan 8.150 nan 0.000 0.443 208 V N -0.182 119.823 119.914 0.150 0.000 2.515 208 V HA -0.187 3.934 4.120 0.001 0.000 0.250 208 V C 2.738 178.859 176.094 0.046 0.000 1.058 208 V CA 2.111 64.461 62.300 0.083 0.000 1.064 208 V CB -0.792 31.070 31.823 0.065 0.000 0.675 208 V HN 0.667 nan 8.190 nan 0.000 0.461 209 S N -0.294 115.435 115.700 0.047 0.000 2.383 209 S HA -0.234 4.236 4.470 0.001 0.000 0.229 209 S C 1.884 176.548 174.600 0.107 0.000 1.030 209 S CA 1.854 60.061 58.200 0.011 0.000 1.002 209 S CB -0.420 62.632 63.200 -0.245 0.000 0.829 209 S HN 0.587 nan 8.310 nan 0.000 0.467 210 F N 1.859 121.820 119.950 0.018 0.000 2.113 210 F HA 0.115 4.642 4.527 0.001 0.000 0.297 210 F C 1.852 177.662 175.800 0.017 0.000 1.103 210 F CA 1.161 59.199 58.000 0.062 0.000 1.248 210 F CB -0.529 38.566 39.000 0.158 0.000 0.999 210 F HN 0.207 nan 8.300 nan 0.000 0.475 211 I N -0.010 120.533 120.570 -0.046 0.000 2.163 211 I HA -0.263 3.908 4.170 0.001 0.000 0.243 211 I C 2.699 178.697 176.117 -0.198 0.000 1.085 211 I CA 1.606 62.803 61.300 -0.171 0.000 1.347 211 I CB -1.329 36.633 38.000 -0.063 0.000 1.044 211 I HN 0.287 nan 8.210 nan 0.000 0.408 212 G N -0.311 108.403 108.800 -0.144 0.000 2.422 212 G HA2 0.044 4.005 3.960 0.001 0.000 0.218 212 G HA3 0.044 4.005 3.960 0.001 0.000 0.218 212 G C 1.370 176.206 174.900 -0.107 0.000 1.140 212 G CA 0.925 45.946 45.100 -0.132 0.000 0.775 212 G HN 0.612 nan 8.290 nan 0.000 0.545 213 G N -0.158 108.581 108.800 -0.101 0.000 3.099 213 G HA2 -0.419 3.541 3.960 0.001 0.000 0.331 213 G HA3 -0.419 3.541 3.960 0.001 0.000 0.331 213 G C 1.597 176.485 174.900 -0.021 0.000 1.216 213 G CA 2.434 47.482 45.100 -0.087 0.000 0.977 213 G HN 1.400 nan 8.290 nan 0.000 0.600 214 T N -2.959 111.577 114.554 -0.029 0.000 3.022 214 T HA 0.353 4.704 4.350 0.001 0.000 0.250 214 T C 1.212 175.918 174.700 0.009 0.000 1.060 214 T CA 1.375 63.475 62.100 -0.000 0.000 1.013 214 T CB 0.479 69.342 68.868 -0.007 0.000 0.982 214 T HN 0.289 nan 8.240 nan 0.000 0.508 215 D N 1.707 122.104 120.400 -0.006 0.000 2.342 215 D HA 0.394 5.034 4.640 0.001 0.000 0.221 215 D C 1.113 177.437 176.300 0.039 0.000 1.101 215 D CA 0.717 54.719 54.000 0.005 0.000 0.837 215 D CB 0.356 41.138 40.800 -0.030 0.000 0.938 215 D HN 0.725 nan 8.370 nan 0.000 0.508 216 G N 0.241 109.081 108.800 0.067 0.000 2.612 216 G HA2 -0.253 3.707 3.960 0.001 0.000 0.686 216 G HA3 -0.253 3.707 3.960 0.001 0.000 0.686 216 G C 0.262 175.261 174.900 0.166 0.000 1.274 216 G CA -0.256 44.933 45.100 0.149 0.000 0.849 216 G HN 0.206 nan 8.290 nan 0.000 0.595 217 W N 1.115 122.470 121.300 0.092 0.000 2.378 217 W HA 0.123 4.784 4.660 0.001 0.000 0.313 217 W C 2.228 178.822 176.519 0.125 0.000 1.197 217 W CA 2.836 60.227 57.345 0.078 0.000 1.304 217 W CB -0.460 29.080 29.460 0.132 0.000 1.148 217 W HN 0.654 nan 8.180 nan 0.000 0.494 218 F N 1.983 121.822 119.950 -0.184 0.000 2.134 218 F HA -0.123 4.405 4.527 0.001 0.000 0.299 218 F C 2.225 177.817 175.800 -0.347 0.000 1.097 218 F CA 2.684 60.358 58.000 -0.544 0.000 1.264 218 F CB -1.175 37.773 39.000 -0.087 0.000 1.001 218 F HN -0.017 nan 8.300 nan 0.000 0.479 219 A N 0.745 123.308 122.820 -0.428 0.000 1.927 219 A HA -0.168 4.153 4.320 0.001 0.000 0.220 219 A C 2.543 179.859 177.584 -0.446 0.000 1.185 219 A CA 2.006 53.761 52.037 -0.469 0.000 0.639 219 A CB -1.925 16.966 19.000 -0.182 0.000 0.820 219 A HN 0.566 nan 8.150 nan 0.000 0.451 220 G N -0.686 107.898 108.800 -0.361 0.000 2.442 220 G HA2 -0.123 3.837 3.960 0.001 0.000 0.219 220 G HA3 -0.123 3.837 3.960 0.001 0.000 0.219 220 G C 1.508 176.202 174.900 -0.343 0.000 1.141 220 G CA 1.294 46.214 45.100 -0.300 0.000 0.763 220 G HN 0.362 nan 8.290 nan 0.000 0.554 221 V N 0.851 120.462 119.914 -0.505 0.000 2.233 221 V HA -0.211 3.910 4.120 0.001 0.000 0.247 221 V C 2.992 178.836 176.094 -0.416 0.000 1.050 221 V CA 2.325 64.374 62.300 -0.418 0.000 1.010 221 V CB -0.828 30.713 31.823 -0.470 0.000 0.637 221 V HN 0.487 nan 8.190 nan 0.000 0.444 222 S N -0.695 114.632 115.700 -0.623 0.000 2.383 222 S HA -0.303 4.167 4.470 0.001 0.000 0.229 222 S C 2.119 176.512 174.600 -0.345 0.000 1.030 222 S CA 2.318 60.207 58.200 -0.519 0.000 1.002 222 S CB -0.308 62.500 63.200 -0.653 0.000 0.829 222 S HN 0.629 nan 8.310 nan 0.000 0.467 223 K N 0.829 121.045 120.400 -0.306 0.000 2.001 223 K HA -0.113 4.208 4.320 0.001 0.000 0.208 223 K C 2.434 178.941 176.600 -0.155 0.000 1.048 223 K CA 1.780 57.944 56.287 -0.205 0.000 0.932 223 K CB -0.353 32.038 32.500 -0.182 0.000 0.715 223 K HN 0.665 nan 8.250 nan 0.000 0.437 224 M N -0.468 119.049 119.600 -0.137 0.000 2.279 224 M HA -0.069 4.411 4.480 0.001 0.000 0.264 224 M C 1.908 178.188 176.300 -0.033 0.000 1.062 224 M CA 1.399 56.677 55.300 -0.036 0.000 1.099 224 M CB -0.296 32.328 32.600 0.039 0.000 1.394 224 M HN 0.005 nan 8.290 nan 0.000 0.426 225 V N 1.278 121.034 119.914 -0.264 0.000 2.548 225 V HA -0.212 3.909 4.120 0.001 0.000 0.249 225 V C 1.940 177.881 176.094 -0.255 0.000 1.055 225 V CA 2.583 64.545 62.300 -0.563 0.000 1.065 225 V CB -0.395 30.865 31.823 -0.938 0.000 0.681 225 V HN 0.620 nan 8.190 nan 0.000 0.462 226 D N 0.428 120.717 120.400 -0.185 0.000 2.117 226 D HA -0.077 4.563 4.640 0.001 0.000 0.198 226 D C 1.988 178.261 176.300 -0.046 0.000 0.982 226 D CA 1.670 55.603 54.000 -0.110 0.000 0.828 226 D CB -0.123 40.607 40.800 -0.117 0.000 0.967 226 D HN 0.462 nan 8.370 nan 0.000 0.464 227 A N -0.608 122.194 122.820 -0.031 0.000 2.123 227 A HA 0.486 4.807 4.320 0.001 0.000 0.214 227 A C 1.337 178.966 177.584 0.074 0.000 1.152 227 A CA 1.003 53.046 52.037 0.010 0.000 0.728 227 A CB 0.035 19.032 19.000 -0.005 0.000 0.814 227 A HN 0.295 nan 8.150 nan 0.000 0.464 228 A N -0.293 122.591 122.820 0.107 0.000 3.410 228 A HA 0.557 4.877 4.320 0.001 0.000 0.276 228 A C -1.803 175.952 177.584 0.285 0.000 0.995 228 A CA -0.569 51.572 52.037 0.173 0.000 0.934 228 A CB 0.471 19.526 19.000 0.091 0.000 1.191 228 A HN 0.147 nan 8.150 nan 0.000 0.511 229 P HA -0.048 nan 4.420 nan 0.000 0.225 229 P C 1.619 179.078 177.300 0.264 0.000 1.156 229 P CA 1.501 64.748 63.100 0.245 0.000 0.787 229 P CB 0.091 31.874 31.700 0.140 0.000 0.802 230 G N -0.009 108.886 108.800 0.158 0.000 2.462 230 G HA2 -0.243 3.718 3.960 0.001 0.000 0.220 230 G HA3 -0.243 3.718 3.960 0.001 0.000 0.220 230 G C 0.950 175.750 174.900 -0.166 0.000 1.121 230 G CA 0.712 45.802 45.100 -0.017 0.000 0.758 230 G HN 0.368 nan 8.290 nan 0.000 0.559 231 H N -1.379 117.606 119.070 -0.143 0.000 2.533 231 H HA 0.305 4.861 4.556 0.001 0.000 0.271 231 H C 0.674 175.590 175.328 -0.688 0.000 1.000 231 H CA 0.048 55.843 56.048 -0.422 0.000 1.149 231 H CB 0.084 29.521 29.762 -0.541 0.000 1.375 231 H HN 0.442 nan 8.280 nan 0.000 0.582 232 F N -0.570 119.301 119.950 -0.133 0.000 2.746 232 F HA 0.186 4.714 4.527 0.001 0.000 0.320 232 F C 0.801 176.415 175.800 -0.310 0.000 1.097 232 F CA -0.468 57.398 58.000 -0.224 0.000 1.195 232 F CB 0.525 39.468 39.000 -0.095 0.000 1.056 232 F HN -0.047 nan 8.300 nan 0.000 0.562 233 E N 1.444 121.510 120.200 -0.224 0.000 2.417 233 E HA 0.006 4.356 4.350 0.001 0.000 0.261 233 E C 0.953 177.359 176.600 -0.324 0.000 1.000 233 E CA -0.060 56.043 56.400 -0.494 0.000 0.919 233 E CB 0.638 29.985 29.700 -0.589 0.000 0.955 233 E HN 0.107 nan 8.360 nan 0.000 0.455 234 M N 2.798 122.274 119.600 -0.207 0.000 2.516 234 M HA 0.122 4.602 4.480 0.001 0.000 0.259 234 M C -0.044 176.263 176.300 0.012 0.000 1.146 234 M CA 0.505 55.749 55.300 -0.092 0.000 1.122 234 M CB -0.090 32.529 32.600 0.032 0.000 1.341 234 M HN 0.337 nan 8.290 nan 0.000 0.478 235 I N 0.238 120.820 120.570 0.020 0.000 2.448 235 I HA 0.373 4.543 4.170 0.001 0.000 0.281 235 I C -0.553 175.580 176.117 0.026 0.000 1.027 235 I CA -0.641 60.706 61.300 0.080 0.000 1.111 235 I CB 0.653 38.772 38.000 0.199 0.000 1.236 235 I HN -0.133 nan 8.210 nan 0.000 0.452 236 L N 4.028 125.278 121.223 0.046 0.000 2.418 236 L HA 0.409 4.750 4.340 0.001 0.000 0.265 236 L C -0.037 176.916 176.870 0.138 0.000 1.143 236 L CA -0.294 54.589 54.840 0.073 0.000 0.809 236 L CB 0.681 42.815 42.059 0.125 0.000 1.124 236 L HN 0.518 nan 8.230 nan 0.000 0.456 237 D N 0.420 120.819 120.400 -0.001 0.000 2.294 237 D HA 0.121 4.761 4.640 0.001 0.000 0.250 237 D C 0.787 176.854 176.300 -0.388 0.000 1.058 237 D CA -0.389 53.530 54.000 -0.135 0.000 0.950 237 D CB 1.216 41.943 40.800 -0.122 0.000 1.158 237 D HN 0.431 nan 8.370 nan 0.000 0.453 238 Q N 0.266 119.682 119.800 -0.639 0.000 2.135 238 Q HA -0.178 4.162 4.340 0.001 0.000 0.204 238 Q C 1.892 177.662 176.000 -0.383 0.000 0.981 238 Q CA 1.648 56.955 55.803 -0.826 0.000 0.856 238 Q CB -0.000 28.418 28.738 -0.533 0.000 0.902 238 Q HN 0.571 nan 8.270 nan 0.000 0.425 239 S N 1.046 116.605 115.700 -0.234 0.000 2.365 239 S HA -0.170 4.300 4.470 0.001 0.000 0.225 239 S C 1.065 175.606 174.600 -0.098 0.000 1.039 239 S CA 0.709 58.829 58.200 -0.133 0.000 1.033 239 S CB -0.554 62.586 63.200 -0.100 0.000 0.887 239 S HN 0.302 nan 8.310 nan 0.000 0.447 240 N N 3.442 122.087 118.700 -0.092 0.000 2.412 240 N HA 0.069 4.810 4.740 0.001 0.000 0.258 240 N C -1.485 174.025 175.510 0.000 0.000 1.236 240 N CA -1.114 51.908 53.050 -0.047 0.000 0.882 240 N CB 1.165 39.630 38.487 -0.036 0.000 1.066 240 N HN 0.174 nan 8.380 nan 0.000 0.465 241 P HA -0.085 nan 4.420 nan 0.000 0.218 241 P C 0.819 178.141 177.300 0.036 0.000 1.152 241 P CA 0.916 64.026 63.100 0.018 0.000 0.826 241 P CB 0.425 32.127 31.700 0.003 0.000 0.790 242 Q N -1.012 118.793 119.800 0.008 0.000 2.291 242 Q HA -0.181 4.159 4.340 0.001 0.000 0.206 242 Q C 2.006 178.000 176.000 -0.009 0.000 0.976 242 Q CA 0.862 56.659 55.803 -0.010 0.000 0.875 242 Q CB -1.111 27.591 28.738 -0.060 0.000 0.927 242 Q HN 0.341 nan 8.270 nan 0.000 0.450 243 Y N 1.065 121.307 120.300 -0.097 0.000 2.062 243 Y HA -0.377 4.173 4.550 0.001 0.000 0.273 243 Y C 2.215 178.041 175.900 -0.123 0.000 1.206 243 Y CA 2.416 60.453 58.100 -0.105 0.000 1.125 243 Y CB -0.372 38.035 38.460 -0.088 0.000 0.951 243 Y HN 0.104 nan 8.280 nan 0.000 0.501 244 M N 0.669 120.228 119.600 -0.068 0.000 2.337 244 M HA -0.261 4.219 4.480 0.001 0.000 0.261 244 M C 1.303 177.411 176.300 -0.320 0.000 1.067 244 M CA 2.092 57.289 55.300 -0.171 0.000 1.074 244 M CB -0.546 32.041 32.600 -0.023 0.000 1.395 244 M HN 0.446 nan 8.290 nan 0.000 0.431 245 N N -1.722 116.815 118.700 -0.272 0.000 2.405 245 N HA 0.106 4.846 4.740 0.001 0.000 0.175 245 N C -0.478 174.762 175.510 -0.450 0.000 1.051 245 N CA 0.108 52.963 53.050 -0.324 0.000 0.899 245 N CB 0.639 39.121 38.487 -0.009 0.000 1.000 245 N HN 0.130 nan 8.380 nan 0.000 0.451 246 L N 0.829 121.810 121.223 -0.403 0.000 2.527 246 L HA 0.325 4.665 4.340 0.001 0.000 0.261 246 L C -2.757 173.849 176.870 -0.439 0.000 1.534 246 L CA -1.395 53.240 54.840 -0.341 0.000 0.757 246 L CB 1.405 43.361 42.059 -0.172 0.000 0.999 246 L HN -0.203 nan 8.230 nan 0.000 0.517 247 P HA 0.285 nan 4.420 nan 0.000 0.249 247 P C 1.039 178.130 177.300 -0.349 0.000 1.737 247 P CA 0.503 62.976 63.100 -1.045 0.000 1.128 247 P CB 0.367 31.481 31.700 -0.976 0.000 1.942 248 G N 3.942 112.697 108.800 -0.075 0.000 2.629 248 G HA2 -0.382 3.579 3.960 0.001 0.000 0.313 248 G HA3 -0.382 3.579 3.960 0.001 0.000 0.313 248 G C 0.990 175.896 174.900 0.010 0.000 1.217 248 G CA 0.477 45.628 45.100 0.085 0.000 0.994 248 G HN 0.481 nan 8.290 nan 0.000 0.549 249 I N -0.249 120.342 120.570 0.034 0.000 3.001 249 I HA 0.372 4.542 4.170 0.001 0.000 0.268 249 I C 2.802 178.894 176.117 -0.042 0.000 1.267 249 I CA 1.699 62.998 61.300 -0.001 0.000 1.472 249 I CB -0.711 37.298 38.000 0.015 0.000 1.089 249 I HN 0.660 nan 8.210 nan 0.000 0.468 250 A N 1.738 124.519 122.820 -0.065 0.000 1.958 250 A HA -0.164 4.156 4.320 0.001 0.000 0.221 250 A C 2.449 179.947 177.584 -0.144 0.000 1.178 250 A CA 2.253 54.232 52.037 -0.097 0.000 0.642 250 A CB -1.151 17.760 19.000 -0.149 0.000 0.816 250 A HN 0.347 nan 8.150 nan 0.000 0.453 251 V N -0.039 119.766 119.914 -0.181 0.000 2.250 251 V HA -0.343 3.777 4.120 0.001 0.000 0.253 251 V C 2.564 178.493 176.094 -0.275 0.000 1.065 251 V CA 2.419 64.575 62.300 -0.240 0.000 1.039 251 V CB -0.680 31.047 31.823 -0.159 0.000 0.647 251 V HN 0.614 nan 8.190 nan 0.000 0.446 252 L N -0.500 120.611 121.223 -0.187 0.000 2.056 252 L HA -0.003 4.337 4.340 0.001 0.000 0.202 252 L C 2.312 179.213 176.870 0.051 0.000 1.086 252 L CA 1.955 56.699 54.840 -0.161 0.000 0.758 252 L CB -0.562 41.402 42.059 -0.157 0.000 0.912 252 L HN 0.391 nan 8.230 nan 0.000 0.446 253 I N -2.684 117.933 120.570 0.078 0.000 3.226 253 I HA 0.240 4.410 4.170 0.001 0.000 0.277 253 I C 1.259 177.505 176.117 0.216 0.000 1.243 253 I CA 0.364 61.773 61.300 0.181 0.000 1.459 253 I CB -0.381 37.659 38.000 0.067 0.000 1.093 253 I HN 0.109 nan 8.210 nan 0.000 0.453 254 G N 0.643 109.516 108.800 0.120 0.000 3.039 254 G HA2 0.394 4.355 3.960 0.001 0.000 0.159 254 G HA3 0.394 4.355 3.960 0.001 0.000 0.159 254 G C 0.937 175.899 174.900 0.104 0.000 1.284 254 G CA -0.053 45.094 45.100 0.078 0.000 0.996 254 G HN 0.115 nan 8.290 nan 0.000 0.592 255 G N -0.486 108.329 108.800 0.024 0.000 2.564 255 G HA2 -0.102 3.858 3.960 0.001 0.000 0.217 255 G HA3 -0.102 3.858 3.960 0.001 0.000 0.217 255 G C 1.583 176.515 174.900 0.054 0.000 1.120 255 G CA 0.964 46.096 45.100 0.053 0.000 0.752 255 G HN 0.316 nan 8.290 nan 0.000 0.558 256 L N -0.623 120.564 121.223 -0.061 0.000 2.017 256 L HA 0.051 4.392 4.340 0.001 0.000 0.208 256 L C 2.546 179.397 176.870 -0.031 0.000 1.073 256 L CA 1.594 56.340 54.840 -0.158 0.000 0.745 256 L CB -0.617 41.191 42.059 -0.419 0.000 0.894 256 L HN 0.443 nan 8.230 nan 0.000 0.432 257 W N -1.115 120.219 121.300 0.057 0.000 2.305 257 W HA -0.299 4.362 4.660 0.001 0.000 0.308 257 W C 2.496 179.127 176.519 0.187 0.000 1.226 257 W CA 1.458 58.871 57.345 0.114 0.000 1.253 257 W CB -0.847 28.661 29.460 0.080 0.000 1.146 257 W HN -0.031 nan 8.180 nan 0.000 0.507 258 V N 0.802 120.952 119.914 0.393 0.000 2.231 258 V HA -0.410 3.710 4.120 0.001 0.000 0.248 258 V C 2.403 178.718 176.094 0.369 0.000 1.054 258 V CA 2.358 64.860 62.300 0.336 0.000 1.015 258 V CB -1.710 30.247 31.823 0.223 0.000 0.638 258 V HN 0.307 nan 8.190 nan 0.000 0.444 259 A N 0.117 123.117 122.820 0.301 0.000 1.892 259 A HA -0.327 3.994 4.320 0.001 0.000 0.218 259 A C 2.018 179.857 177.584 0.426 0.000 1.188 259 A CA 2.704 54.936 52.037 0.326 0.000 0.631 259 A CB -0.900 18.284 19.000 0.307 0.000 0.822 259 A HN 0.756 nan 8.150 nan 0.000 0.447 260 N N -0.633 118.313 118.700 0.409 0.000 2.132 260 N HA -0.035 4.706 4.740 0.001 0.000 0.187 260 N C 1.517 177.412 175.510 0.641 0.000 1.038 260 N CA 0.941 54.313 53.050 0.536 0.000 0.846 260 N CB -0.231 38.487 38.487 0.386 0.000 1.012 260 N HN 0.208 nan 8.380 nan 0.000 0.429 261 L N 1.003 122.584 121.223 0.597 0.000 1.991 261 L HA -0.262 4.079 4.340 0.001 0.000 0.221 261 L C 2.228 179.476 176.870 0.631 0.000 1.079 261 L CA 1.738 56.914 54.840 0.559 0.000 0.778 261 L CB -1.565 40.842 42.059 0.579 0.000 0.893 261 L HN 0.297 nan 8.230 nan 0.000 0.437 262 Y N -1.188 119.439 120.300 0.545 0.000 2.114 262 Y HA -0.372 4.178 4.550 0.001 0.000 0.282 262 Y C 2.755 178.935 175.900 0.467 0.000 1.165 262 Y CA 2.092 60.518 58.100 0.543 0.000 1.148 262 Y CB -0.641 38.047 38.460 0.379 0.000 0.972 262 Y HN 0.271 nan 8.280 nan 0.000 0.504 263 Y N -0.856 119.585 120.300 0.235 0.000 2.109 263 Y HA -0.221 4.329 4.550 0.001 0.000 0.285 263 Y C 1.781 177.515 175.900 -0.276 0.000 1.131 263 Y CA 1.980 60.011 58.100 -0.115 0.000 1.121 263 Y CB -0.832 37.507 38.460 -0.201 0.000 0.987 263 Y HN 0.203 nan 8.280 nan 0.000 0.495 264 W N -0.463 121.072 121.300 0.392 0.000 2.558 264 W HA 0.125 4.785 4.660 0.001 0.000 0.317 264 W C 2.821 179.340 176.519 -0.000 0.000 1.139 264 W CA 1.227 58.703 57.345 0.218 0.000 1.408 264 W CB -1.165 28.434 29.460 0.232 0.000 1.184 264 W HN 0.090 nan 8.180 nan 0.000 0.481 265 G N 0.340 109.245 108.800 0.176 0.000 2.624 265 G HA2 -0.308 3.653 3.960 0.001 0.000 0.221 265 G HA3 -0.308 3.653 3.960 0.001 0.000 0.221 265 G C 1.034 175.741 174.900 -0.323 0.000 1.169 265 G CA 1.626 46.570 45.100 -0.261 0.000 0.771 265 G HN 0.174 nan 8.290 nan 0.000 0.598 266 F N -0.382 119.614 119.950 0.076 0.000 2.429 266 F HA 0.263 4.790 4.527 0.001 0.000 0.245 266 F C 2.240 177.830 175.800 -0.350 0.000 1.048 266 F CA 0.300 58.195 58.000 -0.174 0.000 1.013 266 F CB -0.988 37.979 39.000 -0.055 0.000 1.141 266 F HN 0.012 nan 8.300 nan 0.000 0.653 267 N N 0.356 118.991 118.700 -0.108 0.000 2.165 267 N HA -0.220 4.520 4.740 0.001 0.000 0.198 267 N C 0.500 175.800 175.510 -0.350 0.000 0.999 267 N CA 1.038 53.915 53.050 -0.288 0.000 0.893 267 N CB -0.436 37.789 38.487 -0.436 0.000 1.025 267 N HN 0.121 nan 8.380 nan 0.000 0.456 268 Q N 0.651 120.261 119.800 -0.317 0.000 2.504 268 Q HA -0.157 4.184 4.340 0.001 0.000 0.263 268 Q C 0.343 176.247 176.000 -0.159 0.000 1.343 268 Q CA 0.338 56.021 55.803 -0.200 0.000 0.924 268 Q CB -0.557 28.125 28.738 -0.092 0.000 1.551 268 Q HN 0.567 nan 8.270 nan 0.000 0.520 269 Y N 0.536 120.727 120.300 -0.181 0.000 2.224 269 Y HA -0.207 4.343 4.550 0.001 0.000 0.289 269 Y C 2.053 177.906 175.900 -0.077 0.000 1.146 269 Y CA 0.838 58.856 58.100 -0.136 0.000 1.182 269 Y CB -0.216 38.174 38.460 -0.117 0.000 0.983 269 Y HN 0.484 nan 8.280 nan 0.000 0.524 270 I N -0.782 119.873 120.570 0.143 0.000 2.614 270 I HA -0.236 3.934 4.170 0.001 0.000 0.258 270 I C 2.173 178.357 176.117 0.111 0.000 1.189 270 I CA 1.178 62.544 61.300 0.110 0.000 1.462 270 I CB -0.493 37.568 38.000 0.100 0.000 1.092 270 I HN 0.259 nan 8.210 nan 0.000 0.442 271 I N 0.677 121.299 120.570 0.087 0.000 2.133 271 I HA -0.317 3.853 4.170 0.001 0.000 0.238 271 I C 2.767 178.909 176.117 0.042 0.000 1.074 271 I CA 1.527 62.879 61.300 0.086 0.000 1.342 271 I CB 0.036 38.071 38.000 0.059 0.000 1.053 271 I HN 0.207 nan 8.210 nan 0.000 0.404 272 Q N 0.676 120.463 119.800 -0.021 0.000 1.993 272 Q HA -0.235 4.105 4.340 0.001 0.000 0.202 272 Q C 2.448 178.477 176.000 0.049 0.000 0.984 272 Q CA 2.923 58.705 55.803 -0.035 0.000 0.837 272 Q CB -0.579 28.081 28.738 -0.129 0.000 0.902 272 Q HN 0.425 nan 8.270 nan 0.000 0.423 273 R N -0.536 120.008 120.500 0.073 0.000 2.117 273 R HA -0.124 4.216 4.340 0.001 0.000 0.243 273 R C 2.249 178.596 176.300 0.079 0.000 1.143 273 R CA 2.203 58.355 56.100 0.086 0.000 0.968 273 R CB -1.908 28.444 30.300 0.086 0.000 0.863 273 R HN 0.504 nan 8.270 nan 0.000 0.444 274 T N 0.422 115.026 114.554 0.084 0.000 3.043 274 T HA 0.136 4.486 4.350 0.001 0.000 0.263 274 T C 1.973 176.719 174.700 0.077 0.000 1.094 274 T CA 0.893 63.046 62.100 0.088 0.000 1.127 274 T CB -0.003 68.933 68.868 0.114 0.000 0.905 274 T HN 0.264 nan 8.240 nan 0.000 0.490 275 L N 1.005 122.270 121.223 0.071 0.000 2.217 275 L HA 0.188 4.528 4.340 0.001 0.000 0.211 275 L C 2.202 179.106 176.870 0.057 0.000 1.107 275 L CA 0.452 55.328 54.840 0.059 0.000 0.783 275 L CB -0.344 41.746 42.059 0.052 0.000 0.919 275 L HN 0.164 nan 8.230 nan 0.000 0.442 276 A N -0.542 122.323 122.820 0.075 0.000 2.478 276 A HA 0.369 4.689 4.320 0.001 0.000 0.239 276 A C 1.449 179.063 177.584 0.051 0.000 1.480 276 A CA 0.846 52.932 52.037 0.082 0.000 1.308 276 A CB -0.736 18.334 19.000 0.118 0.000 0.899 276 A HN 0.381 nan 8.150 nan 0.000 0.600 277 A N 0.113 122.956 122.820 0.038 0.000 2.265 277 A HA 0.511 4.831 4.320 0.001 0.000 0.226 277 A C 0.992 178.581 177.584 0.008 0.000 1.937 277 A CA 0.894 52.944 52.037 0.022 0.000 0.771 277 A CB 0.111 19.124 19.000 0.022 0.000 1.421 277 A HN 0.458 nan 8.150 nan 0.000 0.570 278 K N -0.518 119.881 120.400 -0.002 0.000 2.352 278 K HA 0.500 4.821 4.320 0.001 0.000 0.240 278 K C -0.782 175.806 176.600 -0.018 0.000 1.017 278 K CA -0.390 55.888 56.287 -0.016 0.000 0.851 278 K CB 1.718 34.198 32.500 -0.033 0.000 1.261 278 K HN 0.280 nan 8.250 nan 0.000 0.451 279 S N 1.046 116.731 115.700 -0.025 0.000 4.667 279 S HA -0.134 4.337 4.470 0.001 0.000 0.551 279 S C 1.339 175.915 174.600 -0.041 0.000 0.855 279 S CA -0.010 58.170 58.200 -0.033 0.000 1.181 279 S CB -0.509 62.667 63.200 -0.040 0.000 1.890 279 S HN 0.468 nan 8.310 nan 0.000 0.374 280 V N 4.019 123.910 119.914 -0.038 0.000 2.324 280 V HA -0.244 3.877 4.120 0.001 0.000 0.250 280 V C 2.500 178.546 176.094 -0.080 0.000 1.060 280 V CA 2.308 64.579 62.300 -0.048 0.000 1.042 280 V CB -1.004 30.790 31.823 -0.048 0.000 0.650 280 V HN 1.000 nan 8.190 nan 0.000 0.450 281 S N -0.156 115.493 115.700 -0.086 0.000 2.393 281 S HA -0.391 4.079 4.470 0.001 0.000 0.235 281 S C 2.109 176.646 174.600 -0.105 0.000 1.061 281 S CA 2.662 60.800 58.200 -0.103 0.000 1.129 281 S CB -0.354 62.799 63.200 -0.078 0.000 1.011 281 S HN 0.785 nan 8.310 nan 0.000 0.436 282 E N 0.071 120.219 120.200 -0.087 0.000 2.107 282 E HA 0.060 4.410 4.350 0.001 0.000 0.191 282 E C 2.147 178.688 176.600 -0.098 0.000 0.982 282 E CA 0.786 57.123 56.400 -0.104 0.000 0.809 282 E CB -0.502 29.145 29.700 -0.088 0.000 0.756 282 E HN 0.623 nan 8.360 nan 0.000 0.459 283 A N 0.829 123.612 122.820 -0.062 0.000 1.986 283 A HA -0.296 4.024 4.320 0.001 0.000 0.220 283 A C 2.043 179.619 177.584 -0.013 0.000 1.171 283 A CA 1.792 53.813 52.037 -0.026 0.000 0.640 283 A CB -0.553 18.442 19.000 -0.009 0.000 0.811 283 A HN 0.373 nan 8.150 nan 0.000 0.451 284 Q N -0.514 119.255 119.800 -0.052 0.000 2.084 284 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 284 Q C 2.027 178.104 176.000 0.128 0.000 0.978 284 Q CA 1.675 57.462 55.803 -0.026 0.000 0.844 284 Q CB -0.201 28.359 28.738 -0.296 0.000 0.898 284 Q HN 0.671 nan 8.270 nan 0.000 0.426 285 K N -0.024 120.365 120.400 -0.018 0.000 2.152 285 K HA -0.133 4.187 4.320 0.001 0.000 0.206 285 K C 2.067 178.534 176.600 -0.221 0.000 1.048 285 K CA 1.150 57.317 56.287 -0.201 0.000 0.933 285 K CB -0.269 31.923 32.500 -0.513 0.000 0.721 285 K HN 0.293 nan 8.250 nan 0.000 0.447 286 G N 1.116 109.870 108.800 -0.076 0.000 2.422 286 G HA2 -0.200 3.761 3.960 0.001 0.000 0.218 286 G HA3 -0.200 3.761 3.960 0.001 0.000 0.218 286 G C 1.478 176.492 174.900 0.190 0.000 1.140 286 G CA 0.376 45.542 45.100 0.110 0.000 0.775 286 G HN 0.136 nan 8.290 nan 0.000 0.545 287 I N 0.150 120.803 120.570 0.139 0.000 2.252 287 I HA -0.135 4.035 4.170 0.001 0.000 0.245 287 I C 2.759 178.939 176.117 0.105 0.000 1.102 287 I CA 0.433 61.817 61.300 0.140 0.000 1.385 287 I CB 0.023 38.126 38.000 0.173 0.000 1.064 287 I HN 0.037 nan 8.210 nan 0.000 0.414 288 V N 0.524 120.495 119.914 0.095 0.000 2.261 288 V HA -0.323 3.797 4.120 0.001 0.000 0.246 288 V C 2.240 178.380 176.094 0.077 0.000 1.047 288 V CA 2.136 64.421 62.300 -0.027 0.000 1.015 288 V CB -0.676 31.037 31.823 -0.184 0.000 0.642 288 V HN 0.442 nan 8.190 nan 0.000 0.446 289 F N 1.641 121.569 119.950 -0.036 0.000 2.095 289 F HA -0.200 4.328 4.527 0.001 0.000 0.298 289 F C 2.232 178.168 175.800 0.227 0.000 1.104 289 F CA 1.587 59.657 58.000 0.116 0.000 1.232 289 F CB -0.738 38.363 39.000 0.169 0.000 0.987 289 F HN 0.077 nan 8.300 nan 0.000 0.475 290 A N 0.777 123.586 122.820 -0.019 0.000 1.883 290 A HA -0.102 4.219 4.320 0.001 0.000 0.217 290 A C 2.491 180.008 177.584 -0.111 0.000 1.186 290 A CA 2.188 54.159 52.037 -0.110 0.000 0.624 290 A CB -1.701 17.325 19.000 0.043 0.000 0.822 290 A HN 0.586 nan 8.150 nan 0.000 0.444 291 A N -1.154 121.626 122.820 -0.066 0.000 1.908 291 A HA -0.136 4.185 4.320 0.001 0.000 0.218 291 A C 2.096 179.672 177.584 -0.014 0.000 1.181 291 A CA 1.747 53.737 52.037 -0.078 0.000 0.627 291 A CB -0.798 18.166 19.000 -0.059 0.000 0.818 291 A HN 0.825 nan 8.150 nan 0.000 0.445 292 F N 0.670 120.557 119.950 -0.106 0.000 2.171 292 F HA -0.148 4.380 4.527 0.001 0.000 0.300 292 F C 1.851 177.603 175.800 -0.080 0.000 1.090 292 F CA 1.716 59.676 58.000 -0.066 0.000 1.293 292 F CB -0.162 38.831 39.000 -0.011 0.000 1.013 292 F HN 0.152 nan 8.300 nan 0.000 0.486 293 L N 0.242 121.455 121.223 -0.017 0.000 2.046 293 L HA -0.223 4.117 4.340 0.001 0.000 0.208 293 L C 2.500 179.328 176.870 -0.069 0.000 1.077 293 L CA 1.170 55.960 54.840 -0.083 0.000 0.747 293 L CB -0.875 41.100 42.059 -0.140 0.000 0.896 293 L HN 0.029 nan 8.230 nan 0.000 0.432 294 K N 0.507 120.881 120.400 -0.043 0.000 2.218 294 K HA -0.145 4.176 4.320 0.001 0.000 0.205 294 K C 2.043 178.755 176.600 0.187 0.000 1.046 294 K CA 1.156 57.467 56.287 0.040 0.000 0.933 294 K CB -0.360 32.137 32.500 -0.004 0.000 0.728 294 K HN 0.382 nan 8.250 nan 0.000 0.454 295 L N 0.404 121.685 121.223 0.096 0.000 2.083 295 L HA -0.179 4.162 4.340 0.001 0.000 0.209 295 L C 1.988 179.109 176.870 0.418 0.000 1.083 295 L CA 0.817 55.779 54.840 0.204 0.000 0.752 295 L CB -0.402 41.513 42.059 -0.241 0.000 0.899 295 L HN 0.081 nan 8.230 nan 0.000 0.433 296 I N -1.115 119.537 120.570 0.137 0.000 3.226 296 I HA -0.090 4.080 4.170 0.001 0.000 0.277 296 I C 2.471 178.802 176.117 0.357 0.000 1.243 296 I CA 0.590 62.008 61.300 0.197 0.000 1.459 296 I CB -0.890 37.097 38.000 -0.022 0.000 1.093 296 I HN 0.003 nan 8.210 nan 0.000 0.453 297 V N 2.722 122.770 119.914 0.224 0.000 2.252 297 V HA -0.191 3.929 4.120 0.001 0.000 0.249 297 V C -0.036 176.094 176.094 0.061 0.000 1.056 297 V CA 2.267 64.621 62.300 0.090 0.000 1.022 297 V CB -1.959 29.863 31.823 -0.002 0.000 0.641 297 V HN 0.255 nan 8.190 nan 0.000 0.445 298 P HA -0.162 nan 4.420 nan 0.000 0.218 298 P C 1.365 178.567 177.300 -0.164 0.000 1.146 298 P CA 1.555 64.509 63.100 -0.242 0.000 0.813 298 P CB -0.175 31.200 31.700 -0.542 0.000 0.778 299 F N -1.918 118.099 119.950 0.111 0.000 2.661 299 F HA 0.034 4.561 4.527 0.001 0.000 0.298 299 F C 1.909 177.834 175.800 0.209 0.000 1.137 299 F CA 0.850 58.969 58.000 0.197 0.000 1.454 299 F CB -0.653 38.502 39.000 0.257 0.000 1.103 299 F HN -0.121 nan 8.300 nan 0.000 0.577 300 L N -1.252 120.137 121.223 0.276 0.000 2.575 300 L HA 0.111 4.452 4.340 0.001 0.000 0.228 300 L C 1.799 178.725 176.870 0.092 0.000 1.075 300 L CA 0.206 55.194 54.840 0.247 0.000 0.867 300 L CB -0.095 42.082 42.059 0.197 0.000 1.097 300 L HN 0.065 nan 8.230 nan 0.000 0.485 301 V N -3.755 116.107 119.914 -0.087 0.000 2.840 301 V HA 0.082 4.203 4.120 0.001 0.000 0.234 301 V C 2.053 178.090 176.094 -0.095 0.000 1.159 301 V CA 0.660 62.843 62.300 -0.195 0.000 1.194 301 V CB -0.018 31.575 31.823 -0.382 0.000 0.971 301 V HN 0.055 nan 8.190 nan 0.000 0.494 302 V N -0.958 118.857 119.914 -0.166 0.000 2.719 302 V HA 0.035 4.155 4.120 0.001 0.000 0.252 302 V C 2.367 178.394 176.094 -0.112 0.000 1.065 302 V CA 1.958 64.144 62.300 -0.190 0.000 1.086 302 V CB -0.092 31.530 31.823 -0.335 0.000 0.700 302 V HN 0.443 nan 8.190 nan 0.000 0.467 303 L N 0.892 122.081 121.223 -0.057 0.000 2.131 303 L HA 0.222 4.562 4.340 0.001 0.000 0.206 303 L C -0.087 176.861 176.870 0.130 0.000 1.087 303 L CA 1.851 56.702 54.840 0.018 0.000 0.767 303 L CB -1.458 40.654 42.059 0.089 0.000 0.917 303 L HN 0.259 nan 8.230 nan 0.000 0.441 304 P HA -0.111 nan 4.420 nan 0.000 0.215 304 P C 1.662 179.113 177.300 0.252 0.000 1.153 304 P CA 1.761 65.030 63.100 0.282 0.000 0.853 304 P CB -0.351 31.623 31.700 0.457 0.000 0.788 305 G N -0.080 108.847 108.800 0.212 0.000 2.469 305 G HA2 -0.255 3.705 3.960 0.001 0.000 0.219 305 G HA3 -0.255 3.705 3.960 0.001 0.000 0.219 305 G C 1.516 176.503 174.900 0.145 0.000 1.150 305 G CA 0.706 45.937 45.100 0.218 0.000 0.763 305 G HN 0.250 nan 8.290 nan 0.000 0.561 306 I N 1.165 121.749 120.570 0.024 0.000 2.252 306 I HA -0.102 4.068 4.170 0.001 0.000 0.245 306 I C 3.286 179.423 176.117 0.034 0.000 1.102 306 I CA 0.821 62.068 61.300 -0.089 0.000 1.385 306 I CB -0.305 37.576 38.000 -0.199 0.000 1.064 306 I HN 0.248 nan 8.210 nan 0.000 0.414 307 A N 1.104 123.996 122.820 0.120 0.000 1.877 307 A HA -0.170 4.150 4.320 0.001 0.000 0.216 307 A C 2.589 180.286 177.584 0.189 0.000 1.186 307 A CA 1.948 54.081 52.037 0.160 0.000 0.620 307 A CB -0.866 18.247 19.000 0.188 0.000 0.822 307 A HN 0.416 nan 8.150 nan 0.000 0.443 308 A N -1.320 121.649 122.820 0.248 0.000 1.883 308 A HA -0.152 4.168 4.320 0.001 0.000 0.217 308 A C 2.151 179.892 177.584 0.263 0.000 1.186 308 A CA 1.793 54.030 52.037 0.334 0.000 0.624 308 A CB -0.980 18.282 19.000 0.437 0.000 0.822 308 A HN 0.798 nan 8.150 nan 0.000 0.444 309 Y N 0.667 120.963 120.300 -0.007 0.000 2.053 309 Y HA -0.256 4.294 4.550 0.001 0.000 0.277 309 Y C 2.366 178.142 175.900 -0.207 0.000 1.159 309 Y CA 2.302 60.176 58.100 -0.377 0.000 1.125 309 Y CB -0.584 37.392 38.460 -0.807 0.000 0.969 309 Y HN 0.062 nan 8.280 nan 0.000 0.492 310 V N 0.813 120.743 119.914 0.026 0.000 2.282 310 V HA -0.384 3.737 4.120 0.001 0.000 0.249 310 V C 2.412 178.460 176.094 -0.076 0.000 1.057 310 V CA 2.391 64.690 62.300 -0.002 0.000 1.032 310 V CB -0.764 31.103 31.823 0.074 0.000 0.645 310 V HN 0.518 nan 8.190 nan 0.000 0.447 311 I N -0.549 120.032 120.570 0.018 0.000 2.127 311 I HA -0.267 3.903 4.170 0.001 0.000 0.241 311 I C 2.575 178.692 176.117 -0.002 0.000 1.075 311 I CA 2.086 63.429 61.300 0.071 0.000 1.334 311 I CB -0.675 37.450 38.000 0.208 0.000 1.040 311 I HN 0.290 nan 8.210 nan 0.000 0.405 312 T N 0.227 114.746 114.554 -0.059 0.000 2.684 312 T HA -0.152 4.199 4.350 0.001 0.000 0.267 312 T C 1.876 176.449 174.700 -0.211 0.000 1.036 312 T CA 1.963 63.978 62.100 -0.141 0.000 1.148 312 T CB -0.234 68.546 68.868 -0.147 0.000 0.863 312 T HN 0.468 nan 8.240 nan 0.000 0.436 313 S N 0.526 116.001 115.700 -0.375 0.000 2.561 313 S HA 0.044 4.514 4.470 0.001 0.000 0.225 313 S C 0.533 175.012 174.600 -0.201 0.000 0.977 313 S CA -0.092 57.892 58.200 -0.360 0.000 0.926 313 S CB -0.047 62.757 63.200 -0.659 0.000 0.769 313 S HN 0.431 nan 8.310 nan 0.000 0.533 314 D N 2.564 122.874 120.400 -0.150 0.000 2.274 314 D HA 0.219 4.859 4.640 0.001 0.000 0.239 314 D C -1.769 174.496 176.300 -0.057 0.000 1.104 314 D CA -2.043 51.906 54.000 -0.084 0.000 0.840 314 D CB 2.093 42.854 40.800 -0.065 0.000 1.100 314 D HN 0.017 nan 8.370 nan 0.000 0.477 315 P HA -0.064 nan 4.420 nan 0.000 0.221 315 P C 0.917 178.204 177.300 -0.022 0.000 1.155 315 P CA 0.870 63.949 63.100 -0.035 0.000 0.812 315 P CB 0.737 32.416 31.700 -0.035 0.000 0.801 316 Q N 0.333 120.115 119.800 -0.030 0.000 2.050 316 Q HA -0.073 4.267 4.340 0.001 0.000 0.202 316 Q C 2.431 178.420 176.000 -0.019 0.000 0.980 316 Q CA 1.408 57.193 55.803 -0.031 0.000 0.840 316 Q CB -1.058 27.650 28.738 -0.049 0.000 0.898 316 Q HN 0.237 nan 8.270 nan 0.000 0.424 317 L N -0.836 120.375 121.223 -0.020 0.000 2.109 317 L HA -0.084 4.257 4.340 0.001 0.000 0.207 317 L C 2.314 179.258 176.870 0.122 0.000 1.086 317 L CA 0.582 55.438 54.840 0.026 0.000 0.760 317 L CB -0.301 41.767 42.059 0.014 0.000 0.910 317 L HN 0.290 nan 8.230 nan 0.000 0.437 318 M N 0.386 120.026 119.600 0.067 0.000 2.077 318 M HA -0.063 4.417 4.480 0.001 0.000 0.261 318 M C 2.336 178.664 176.300 0.046 0.000 1.070 318 M CA 2.036 57.374 55.300 0.063 0.000 1.125 318 M CB -0.488 32.123 32.600 0.018 0.000 1.339 318 M HN 0.167 nan 8.290 nan 0.000 0.409 319 A N -1.525 121.311 122.820 0.026 0.000 2.015 319 A HA -0.123 4.197 4.320 0.001 0.000 0.219 319 A C 2.293 179.894 177.584 0.029 0.000 1.163 319 A CA 1.939 53.987 52.037 0.018 0.000 0.646 319 A CB -1.164 17.839 19.000 0.005 0.000 0.806 319 A HN 0.591 nan 8.150 nan 0.000 0.448 320 S N -0.266 115.464 115.700 0.051 0.000 2.368 320 S HA -0.111 4.360 4.470 0.001 0.000 0.224 320 S C 1.961 176.616 174.600 0.090 0.000 1.029 320 S CA 1.309 59.556 58.200 0.077 0.000 0.988 320 S CB -0.509 62.753 63.200 0.102 0.000 0.838 320 S HN 0.515 nan 8.310 nan 0.000 0.462 321 L N 0.636 121.907 121.223 0.079 0.000 1.990 321 L HA 0.066 4.407 4.340 0.001 0.000 0.213 321 L C 1.765 178.613 176.870 -0.036 0.000 1.072 321 L CA 1.279 56.086 54.840 -0.054 0.000 0.755 321 L CB -1.193 40.771 42.059 -0.158 0.000 0.889 321 L HN 0.709 nan 8.230 nan 0.000 0.432 322 G N -1.454 107.342 108.800 -0.007 0.000 2.298 322 G HA2 -0.165 3.795 3.960 0.001 0.000 0.309 322 G HA3 -0.165 3.795 3.960 0.001 0.000 0.309 322 G C -0.585 174.317 174.900 0.003 0.000 1.279 322 G CA -0.019 45.080 45.100 -0.001 0.000 1.042 322 G HN 0.040 nan 8.290 nan 0.000 0.480 323 D N -0.069 120.331 120.400 0.001 0.000 2.224 323 D HA 0.027 4.667 4.640 0.001 0.000 0.205 323 D C 2.159 178.464 176.300 0.009 0.000 0.965 323 D CA 0.996 54.999 54.000 0.004 0.000 0.852 323 D CB 0.071 40.871 40.800 -0.001 0.000 0.947 323 D HN 0.436 nan 8.370 nan 0.000 0.494 324 I N 0.794 121.365 120.570 0.002 0.000 3.749 324 I HA 0.100 4.271 4.170 0.001 0.000 0.314 324 I C 0.840 176.972 176.117 0.025 0.000 1.278 324 I CA -0.243 61.059 61.300 0.003 0.000 1.158 324 I CB -0.237 37.752 38.000 -0.018 0.000 1.018 324 I HN -0.175 nan 8.210 nan 0.000 0.435 325 A N 1.984 124.842 122.820 0.065 0.000 3.004 325 A HA 0.422 4.743 4.320 0.001 0.000 0.252 325 A C 1.149 178.862 177.584 0.215 0.000 1.802 325 A CA -0.060 52.106 52.037 0.215 0.000 1.424 325 A CB -0.806 18.343 19.000 0.248 0.000 1.005 325 A HN 0.411 nan 8.150 nan 0.000 0.631 326 A N 1.990 124.908 122.820 0.163 0.000 2.990 326 A HA 0.509 4.829 4.320 0.001 0.000 0.282 326 A C 1.081 178.721 177.584 0.093 0.000 1.688 326 A CA 0.444 52.533 52.037 0.087 0.000 1.391 326 A CB -1.230 17.795 19.000 0.042 0.000 1.112 326 A HN 1.186 nan 8.150 nan 0.000 0.588 327 T N 0.956 115.546 114.554 0.060 0.000 0.543 327 T HA -0.314 4.037 4.350 0.001 0.000 0.774 327 T C 0.645 175.364 174.700 0.033 0.000 0.992 327 T CA 0.658 62.756 62.100 -0.005 0.000 4.076 327 T CB -0.728 68.129 68.868 -0.018 0.000 2.302 327 T HN 1.276 nan 8.240 nan 0.000 0.398 328 N N -0.604 118.088 118.700 -0.014 0.000 2.693 328 N HA -0.160 4.580 4.740 0.001 0.000 0.249 328 N C -0.717 174.684 175.510 -0.181 0.000 1.119 328 N CA 0.639 53.685 53.050 -0.006 0.000 0.717 328 N CB -1.260 37.296 38.487 0.115 0.000 1.071 328 N HN 0.491 nan 8.380 nan 0.000 0.555 329 L N 1.469 122.473 121.223 -0.364 0.000 2.319 329 L HA 0.365 4.705 4.340 0.001 0.000 0.280 329 L C -1.343 175.195 176.870 -0.554 0.000 1.099 329 L CA -1.670 52.719 54.840 -0.752 0.000 0.828 329 L CB 0.019 41.749 42.059 -0.547 0.000 1.150 329 L HN 0.001 nan 8.230 nan 0.000 0.442 330 P HA 0.330 nan 4.420 nan 0.000 0.272 330 P C -0.750 176.234 177.300 -0.526 0.000 1.230 330 P CA -0.229 62.525 63.100 -0.577 0.000 0.788 330 P CB 1.372 32.647 31.700 -0.708 0.000 0.949 331 S N -0.838 114.570 115.700 -0.486 0.000 2.661 331 S HA 0.557 5.027 4.470 0.001 0.000 0.268 331 S C 1.013 175.615 174.600 0.004 0.000 1.162 331 S CA -0.189 57.925 58.200 -0.142 0.000 0.817 331 S CB 0.515 63.662 63.200 -0.090 0.000 1.141 331 S HN 0.381 nan 8.310 nan 0.000 0.477 332 A N 0.812 123.739 122.820 0.178 0.000 1.948 332 A HA 0.182 4.503 4.320 0.001 0.000 0.220 332 A C 2.269 179.895 177.584 0.070 0.000 1.177 332 A CA 2.545 54.682 52.037 0.166 0.000 0.636 332 A CB -1.789 17.292 19.000 0.136 0.000 0.815 332 A HN 1.561 nan 8.150 nan 0.000 0.449 333 A N 0.151 122.985 122.820 0.022 0.000 1.827 333 A HA -0.139 4.181 4.320 0.001 0.000 0.215 333 A C 1.078 178.658 177.584 -0.007 0.000 1.212 333 A CA 1.566 53.604 52.037 0.001 0.000 0.624 333 A CB -0.589 18.400 19.000 -0.018 0.000 0.853 333 A HN 0.625 nan 8.150 nan 0.000 0.450 334 N N -0.774 117.898 118.700 -0.046 0.000 2.936 334 N HA 0.525 5.265 4.740 0.001 0.000 0.243 334 N C 0.395 175.826 175.510 -0.131 0.000 1.149 334 N CA 0.292 53.321 53.050 -0.037 0.000 0.914 334 N CB 1.319 39.803 38.487 -0.005 0.000 1.179 334 N HN 0.456 nan 8.380 nan 0.000 0.502 335 A N 0.984 123.730 122.820 -0.122 0.000 2.015 335 A HA -0.146 4.174 4.320 0.001 0.000 0.219 335 A C 1.642 179.121 177.584 -0.174 0.000 1.163 335 A CA 1.106 52.974 52.037 -0.282 0.000 0.646 335 A CB -0.010 18.978 19.000 -0.021 0.000 0.806 335 A HN 0.496 nan 8.150 nan 0.000 0.448 336 D N 0.337 120.731 120.400 -0.010 0.000 2.178 336 D HA -0.144 4.496 4.640 0.001 0.000 0.201 336 D C 1.459 177.785 176.300 0.042 0.000 0.980 336 D CA 1.099 55.139 54.000 0.067 0.000 0.842 336 D CB -0.286 40.607 40.800 0.154 0.000 0.948 336 D HN 0.477 nan 8.370 nan 0.000 0.472 337 K N 1.036 121.423 120.400 -0.022 0.000 2.442 337 K HA -0.122 4.198 4.320 0.001 0.000 0.200 337 K C 1.999 178.634 176.600 0.057 0.000 1.045 337 K CA 0.541 56.824 56.287 -0.008 0.000 0.937 337 K CB -0.036 32.415 32.500 -0.081 0.000 0.757 337 K HN 0.052 nan 8.250 nan 0.000 0.474 338 A N 1.577 124.408 122.820 0.018 0.000 1.862 338 A HA -0.282 4.038 4.320 0.001 0.000 0.217 338 A C 2.041 179.803 177.584 0.297 0.000 1.251 338 A CA 1.909 54.028 52.037 0.136 0.000 0.673 338 A CB -1.204 17.898 19.000 0.169 0.000 0.843 338 A HN 0.446 nan 8.150 nan 0.000 0.458 339 Y N 1.673 122.083 120.300 0.182 0.000 2.165 339 Y HA -0.119 4.432 4.550 0.001 0.000 0.286 339 Y C -0.451 175.545 175.900 0.160 0.000 1.155 339 Y CA 2.429 60.642 58.100 0.189 0.000 1.164 339 Y CB -0.816 37.760 38.460 0.193 0.000 0.978 339 Y HN 0.312 nan 8.280 nan 0.000 0.513 340 P HA -0.198 nan 4.420 nan 0.000 0.221 340 P C 1.175 178.510 177.300 0.059 0.000 1.150 340 P CA 1.760 64.921 63.100 0.102 0.000 0.800 340 P CB -0.554 31.229 31.700 0.139 0.000 0.787 341 W N 0.831 122.100 121.300 -0.051 0.000 2.402 341 W HA -0.036 4.625 4.660 0.001 0.000 0.286 341 W C 2.033 178.518 176.519 -0.057 0.000 1.221 341 W CA 0.938 58.249 57.345 -0.057 0.000 1.257 341 W CB -0.872 28.558 29.460 -0.050 0.000 1.120 341 W HN -0.232 nan 8.180 nan 0.000 0.551 342 L N 0.124 121.307 121.223 -0.066 0.000 2.093 342 L HA -0.193 4.147 4.340 0.001 0.000 0.208 342 L C 2.811 179.517 176.870 -0.274 0.000 1.085 342 L CA 1.993 56.715 54.840 -0.197 0.000 0.755 342 L CB -1.155 40.835 42.059 -0.116 0.000 0.904 342 L HN 0.070 nan 8.230 nan 0.000 0.435 343 T N -3.793 110.562 114.554 -0.332 0.000 2.951 343 T HA -0.252 4.099 4.350 0.001 0.000 0.268 343 T C 1.740 176.300 174.700 -0.232 0.000 1.073 343 T CA 0.878 62.806 62.100 -0.287 0.000 1.134 343 T CB -0.294 68.424 68.868 -0.249 0.000 0.884 343 T HN 0.328 nan 8.240 nan 0.000 0.479 344 Q N -0.224 119.427 119.800 -0.249 0.000 2.308 344 Q HA -0.122 4.218 4.340 0.001 0.000 0.209 344 Q C 1.300 177.168 176.000 -0.220 0.000 0.985 344 Q CA 1.187 56.838 55.803 -0.254 0.000 0.881 344 Q CB -0.215 28.317 28.738 -0.343 0.000 0.917 344 Q HN 0.698 nan 8.270 nan 0.000 0.443 345 F N -0.185 119.502 119.950 -0.438 0.000 2.661 345 F HA 0.276 4.804 4.527 0.001 0.000 0.306 345 F C -0.110 175.512 175.800 -0.297 0.000 1.094 345 F CA -0.710 57.039 58.000 -0.418 0.000 1.254 345 F CB 0.241 38.887 39.000 -0.590 0.000 1.040 345 F HN -0.081 nan 8.300 nan 0.000 0.562 346 L N 1.648 122.638 121.223 -0.388 0.000 2.456 346 L HA 0.317 4.657 4.340 0.001 0.000 0.246 346 L C -1.752 174.928 176.870 -0.317 0.000 1.238 346 L CA -1.290 53.322 54.840 -0.380 0.000 0.826 346 L CB -0.122 41.795 42.059 -0.236 0.000 1.150 346 L HN -0.031 nan 8.230 nan 0.000 0.514 347 P HA 0.255 nan 4.420 nan 0.000 0.312 347 P C 0.464 177.699 177.300 -0.108 0.000 1.308 347 P CA -0.351 62.650 63.100 -0.165 0.000 0.743 347 P CB 0.208 31.832 31.700 -0.126 0.000 1.364 348 V N -1.806 118.063 119.914 -0.075 0.000 2.331 348 V HA -0.280 3.841 4.120 0.001 0.000 0.216 348 V C 1.886 177.956 176.094 -0.041 0.000 0.919 348 V CA 2.420 64.690 62.300 -0.050 0.000 1.020 348 V CB -2.397 29.409 31.823 -0.029 0.000 0.685 348 V HN 0.666 nan 8.190 nan 0.000 0.524 349 G N -1.605 107.184 108.800 -0.019 0.000 2.683 349 G HA2 0.099 4.060 3.960 0.001 0.000 0.213 349 G HA3 0.099 4.060 3.960 0.001 0.000 0.213 349 G C 1.376 176.277 174.900 0.002 0.000 1.142 349 G CA 0.722 45.821 45.100 -0.003 0.000 0.793 349 G HN 0.583 nan 8.290 nan 0.000 0.534 350 V N 1.019 120.928 119.914 -0.007 0.000 2.370 350 V HA -0.298 3.823 4.120 0.001 0.000 0.252 350 V C 2.771 178.853 176.094 -0.020 0.000 1.068 350 V CA 2.244 64.539 62.300 -0.008 0.000 1.061 350 V CB -0.449 31.359 31.823 -0.025 0.000 0.656 350 V HN 0.349 nan 8.190 nan 0.000 0.455 351 K N 0.137 120.512 120.400 -0.042 0.000 1.988 351 K HA -0.224 4.096 4.320 0.001 0.000 0.221 351 K C 2.263 178.889 176.600 0.043 0.000 1.053 351 K CA 1.988 58.250 56.287 -0.041 0.000 0.959 351 K CB -0.984 31.462 32.500 -0.089 0.000 0.728 351 K HN 0.557 nan 8.250 nan 0.000 0.447 352 G N 0.530 109.362 108.800 0.054 0.000 2.462 352 G HA2 -0.204 3.757 3.960 0.001 0.000 0.220 352 G HA3 -0.204 3.757 3.960 0.001 0.000 0.220 352 G C 1.525 176.506 174.900 0.136 0.000 1.121 352 G CA 0.871 46.080 45.100 0.181 0.000 0.758 352 G HN 0.141 nan 8.290 nan 0.000 0.559 353 V N 0.322 120.251 119.914 0.025 0.000 2.255 353 V HA -0.132 3.989 4.120 0.001 0.000 0.243 353 V C 2.970 178.950 176.094 -0.189 0.000 1.038 353 V CA 1.377 63.629 62.300 -0.081 0.000 1.008 353 V CB -0.474 31.348 31.823 -0.002 0.000 0.645 353 V HN 0.231 nan 8.190 nan 0.000 0.449 354 V N 0.134 119.996 119.914 -0.087 0.000 2.332 354 V HA -0.303 3.817 4.120 0.001 0.000 0.248 354 V C 2.219 178.255 176.094 -0.098 0.000 1.055 354 V CA 2.652 64.893 62.300 -0.098 0.000 1.038 354 V CB -0.834 30.967 31.823 -0.036 0.000 0.651 354 V HN 0.617 nan 8.190 nan 0.000 0.450 355 F N 1.886 121.744 119.950 -0.153 0.000 2.051 355 F HA -0.121 4.406 4.527 0.001 0.000 0.296 355 F C 2.296 178.007 175.800 -0.149 0.000 1.122 355 F CA 1.633 59.555 58.000 -0.131 0.000 1.201 355 F CB -0.861 38.077 39.000 -0.104 0.000 0.978 355 F HN 0.054 nan 8.300 nan 0.000 0.472 356 A N 0.780 123.228 122.820 -0.621 0.000 1.978 356 A HA -0.051 4.270 4.320 0.001 0.000 0.220 356 A C 2.435 179.678 177.584 -0.569 0.000 1.170 356 A CA 1.866 53.487 52.037 -0.694 0.000 0.636 356 A CB -1.640 17.149 19.000 -0.352 0.000 0.810 356 A HN 0.632 nan 8.150 nan 0.000 0.448 357 A N -0.146 122.318 122.820 -0.594 0.000 1.883 357 A HA -0.098 4.222 4.320 0.001 0.000 0.217 357 A C 2.180 179.578 177.584 -0.310 0.000 1.186 357 A CA 1.626 53.318 52.037 -0.575 0.000 0.624 357 A CB -0.626 18.024 19.000 -0.583 0.000 0.822 357 A HN 0.482 nan 8.150 nan 0.000 0.444 358 L N -0.868 120.170 121.223 -0.308 0.000 2.027 358 L HA -0.173 4.167 4.340 0.001 0.000 0.206 358 L C 3.127 179.866 176.870 -0.219 0.000 1.074 358 L CA 0.944 55.648 54.840 -0.225 0.000 0.745 358 L CB -0.679 41.271 42.059 -0.181 0.000 0.898 358 L HN 0.448 nan 8.230 nan 0.000 0.433 359 A N 0.422 123.005 122.820 -0.394 0.000 1.870 359 A HA -0.355 3.966 4.320 0.001 0.000 0.219 359 A C 2.517 179.991 177.584 -0.184 0.000 1.224 359 A CA 2.649 54.470 52.037 -0.360 0.000 0.650 359 A CB -1.128 17.512 19.000 -0.601 0.000 0.836 359 A HN 0.439 nan 8.150 nan 0.000 0.454 360 A N -0.600 122.110 122.820 -0.183 0.000 1.877 360 A HA 0.160 4.480 4.320 0.001 0.000 0.216 360 A C 2.501 180.051 177.584 -0.056 0.000 1.186 360 A CA 2.329 54.297 52.037 -0.114 0.000 0.620 360 A CB -1.168 17.786 19.000 -0.077 0.000 0.822 360 A HN 1.380 nan 8.150 nan 0.000 0.443 361 A N -1.256 121.551 122.820 -0.022 0.000 2.131 361 A HA 0.003 4.324 4.320 0.001 0.000 0.220 361 A C 1.821 179.446 177.584 0.067 0.000 1.158 361 A CA 1.738 53.806 52.037 0.053 0.000 0.665 361 A CB -0.429 18.614 19.000 0.072 0.000 0.795 361 A HN 0.421 nan 8.150 nan 0.000 0.460 362 I N -2.301 118.288 120.570 0.031 0.000 2.681 362 I HA -0.004 4.167 4.170 0.001 0.000 0.247 362 I C 2.291 178.448 176.117 0.067 0.000 1.091 362 I CA 0.580 61.914 61.300 0.058 0.000 1.442 362 I CB -0.640 37.383 38.000 0.038 0.000 1.219 362 I HN 0.090 nan 8.210 nan 0.000 0.451 363 V N 0.092 120.029 119.914 0.038 0.000 2.453 363 V HA -0.313 3.808 4.120 0.001 0.000 0.252 363 V C 2.648 178.795 176.094 0.088 0.000 1.068 363 V CA 2.363 64.701 62.300 0.063 0.000 1.070 363 V CB -0.502 31.347 31.823 0.044 0.000 0.664 363 V HN 0.628 nan 8.190 nan 0.000 0.461 364 S N -0.244 115.485 115.700 0.048 0.000 2.398 364 S HA -0.264 4.207 4.470 0.001 0.000 0.220 364 S C 2.156 176.871 174.600 0.192 0.000 1.038 364 S CA 2.535 60.835 58.200 0.165 0.000 1.080 364 S CB -0.915 62.369 63.200 0.139 0.000 1.039 364 S HN 0.686 nan 8.310 nan 0.000 0.419 365 S N 1.700 117.492 115.700 0.153 0.000 2.402 365 S HA -0.063 4.408 4.470 0.001 0.000 0.233 365 S C 1.800 176.486 174.600 0.142 0.000 1.030 365 S CA 1.574 59.863 58.200 0.148 0.000 1.003 365 S CB -0.721 62.566 63.200 0.145 0.000 0.813 365 S HN 0.486 nan 8.310 nan 0.000 0.477 366 L N 0.915 122.223 121.223 0.141 0.000 1.976 366 L HA -0.163 4.178 4.340 0.001 0.000 0.209 366 L C 2.857 179.804 176.870 0.127 0.000 1.071 366 L CA 1.331 56.251 54.840 0.133 0.000 0.746 366 L CB -0.927 41.210 42.059 0.130 0.000 0.890 366 L HN 0.325 nan 8.230 nan 0.000 0.432 367 A N -0.207 122.708 122.820 0.159 0.000 1.884 367 A HA -0.282 4.038 4.320 0.001 0.000 0.219 367 A C 2.496 180.120 177.584 0.066 0.000 1.197 367 A CA 2.502 54.620 52.037 0.134 0.000 0.637 367 A CB -0.988 18.147 19.000 0.224 0.000 0.827 367 A HN 0.418 nan 8.150 nan 0.000 0.450 368 S N -0.471 115.278 115.700 0.082 0.000 2.380 368 S HA -0.297 4.174 4.470 0.001 0.000 0.229 368 S C 2.042 176.637 174.600 -0.009 0.000 1.050 368 S CA 2.166 60.382 58.200 0.027 0.000 1.100 368 S CB -0.510 62.726 63.200 0.060 0.000 0.984 368 S HN 0.575 nan 8.310 nan 0.000 0.434 369 M N 0.573 120.207 119.600 0.057 0.000 2.108 369 M HA -0.123 4.357 4.480 0.001 0.000 0.261 369 M C 2.014 178.306 176.300 -0.014 0.000 1.066 369 M CA 1.312 56.663 55.300 0.086 0.000 1.107 369 M CB -0.631 32.090 32.600 0.202 0.000 1.356 369 M HN 0.260 nan 8.290 nan 0.000 0.406 370 L N 0.630 121.860 121.223 0.011 0.000 1.932 370 L HA -0.298 4.042 4.340 0.001 0.000 0.217 370 L C 2.466 179.296 176.870 -0.066 0.000 1.077 370 L CA 1.874 56.708 54.840 -0.011 0.000 0.765 370 L CB -1.121 40.950 42.059 0.021 0.000 0.888 370 L HN 0.450 nan 8.230 nan 0.000 0.433 371 N N -0.417 118.243 118.700 -0.068 0.000 2.104 371 N HA -0.179 4.561 4.740 0.001 0.000 0.190 371 N C 1.640 177.063 175.510 -0.145 0.000 1.024 371 N CA 1.980 54.978 53.050 -0.086 0.000 0.853 371 N CB -0.972 37.467 38.487 -0.080 0.000 1.008 371 N HN 0.176 nan 8.380 nan 0.000 0.424 372 S N 0.159 115.724 115.700 -0.224 0.000 2.359 372 S HA -0.167 4.304 4.470 0.001 0.000 0.223 372 S C 1.924 176.290 174.600 -0.391 0.000 1.039 372 S CA 2.104 60.083 58.200 -0.369 0.000 1.042 372 S CB -0.999 61.887 63.200 -0.523 0.000 0.915 372 S HN 0.598 nan 8.310 nan 0.000 0.439 373 T N 2.456 116.760 114.554 -0.418 0.000 2.708 373 T HA -0.050 4.300 4.350 0.001 0.000 0.266 373 T C 2.166 176.827 174.700 -0.066 0.000 1.037 373 T CA 1.280 63.196 62.100 -0.307 0.000 1.146 373 T CB -0.660 68.083 68.868 -0.208 0.000 0.865 373 T HN 0.479 nan 8.240 nan 0.000 0.435 374 A N 2.185 124.984 122.820 -0.034 0.000 1.841 374 A HA -0.168 4.152 4.320 0.001 0.000 0.216 374 A C 2.686 180.321 177.584 0.085 0.000 1.199 374 A CA 2.778 54.862 52.037 0.080 0.000 0.621 374 A CB -1.633 17.387 19.000 0.033 0.000 0.835 374 A HN 0.642 nan 8.150 nan 0.000 0.445 375 T N -0.791 113.755 114.554 -0.014 0.000 2.597 375 T HA -0.251 4.099 4.350 0.001 0.000 0.267 375 T C 1.824 176.516 174.700 -0.013 0.000 1.053 375 T CA 1.787 63.867 62.100 -0.033 0.000 1.165 375 T CB -0.911 67.913 68.868 -0.074 0.000 0.863 375 T HN 0.318 nan 8.240 nan 0.000 0.427 376 I N 0.783 121.338 120.570 -0.026 0.000 2.113 376 I HA -0.195 3.975 4.170 0.001 0.000 0.242 376 I C 2.341 178.534 176.117 0.126 0.000 1.057 376 I CA 2.376 63.699 61.300 0.038 0.000 1.314 376 I CB -0.536 37.470 38.000 0.011 0.000 1.022 376 I HN 0.254 nan 8.210 nan 0.000 0.408 377 F N 2.026 121.993 119.950 0.030 0.000 2.031 377 F HA -0.267 4.260 4.527 0.001 0.000 0.295 377 F C 2.710 178.569 175.800 0.099 0.000 1.133 377 F CA 2.380 60.421 58.000 0.067 0.000 1.188 377 F CB -1.254 37.766 39.000 0.033 0.000 0.974 377 F HN 0.075 nan 8.300 nan 0.000 0.473 378 T N 0.443 114.675 114.554 -0.536 0.000 2.778 378 T HA -0.226 4.125 4.350 0.001 0.000 0.269 378 T C 1.868 176.435 174.700 -0.222 0.000 1.050 378 T CA 1.702 63.449 62.100 -0.589 0.000 1.137 378 T CB -0.334 68.392 68.868 -0.237 0.000 0.860 378 T HN 0.216 nan 8.240 nan 0.000 0.468 379 M N 1.974 121.506 119.600 -0.114 0.000 2.142 379 M HA 0.094 4.575 4.480 0.001 0.000 0.256 379 M C 1.834 178.125 176.300 -0.014 0.000 1.098 379 M CA 1.180 56.460 55.300 -0.034 0.000 1.151 379 M CB -1.078 31.523 32.600 0.001 0.000 1.299 379 M HN 0.147 nan 8.290 nan 0.000 0.431 380 D N -0.037 120.387 120.400 0.040 0.000 2.347 380 D HA 0.028 4.668 4.640 0.001 0.000 0.215 380 D C 1.847 178.243 176.300 0.160 0.000 0.976 380 D CA 0.715 54.782 54.000 0.111 0.000 0.884 380 D CB 0.566 41.470 40.800 0.173 0.000 0.915 380 D HN 0.242 nan 8.370 nan 0.000 0.526 381 I N -0.691 119.942 120.570 0.105 0.000 3.132 381 I HA -0.073 4.097 4.170 0.001 0.000 0.255 381 I C 2.146 178.316 176.117 0.088 0.000 1.118 381 I CA 0.251 61.651 61.300 0.166 0.000 1.463 381 I CB -1.271 36.912 38.000 0.305 0.000 1.356 381 I HN -0.101 nan 8.210 nan 0.000 0.463 382 Y N 2.251 122.382 120.300 -0.283 0.000 2.206 382 Y HA -0.128 4.422 4.550 0.001 0.000 0.292 382 Y C 2.732 178.552 175.900 -0.133 0.000 1.123 382 Y CA 2.136 60.083 58.100 -0.255 0.000 1.142 382 Y CB 0.013 38.160 38.460 -0.522 0.000 1.006 382 Y HN 0.050 nan 8.280 nan 0.000 0.518 383 K N 0.182 120.493 120.400 -0.148 0.000 2.007 383 K HA -0.181 4.140 4.320 0.001 0.000 0.206 383 K C 2.157 178.648 176.600 -0.182 0.000 1.047 383 K CA 1.802 57.981 56.287 -0.180 0.000 0.937 383 K CB -0.244 32.216 32.500 -0.067 0.000 0.718 383 K HN 0.341 nan 8.250 nan 0.000 0.438 384 E N -1.544 118.578 120.200 -0.129 0.000 2.158 384 E HA -0.117 4.233 4.350 0.001 0.000 0.191 384 E C 0.973 177.345 176.600 -0.381 0.000 0.982 384 E CA 1.007 57.273 56.400 -0.224 0.000 0.823 384 E CB 0.200 29.791 29.700 -0.183 0.000 0.766 384 E HN 0.379 nan 8.360 nan 0.000 0.468 385 Y N -1.529 118.726 120.300 -0.074 0.000 2.526 385 Y HA 0.275 4.825 4.550 0.001 0.000 0.265 385 Y C 1.514 177.363 175.900 -0.084 0.000 1.092 385 Y CA -0.126 57.941 58.100 -0.055 0.000 1.277 385 Y CB 0.540 38.994 38.460 -0.010 0.000 1.228 385 Y HN -0.014 nan 8.280 nan 0.000 0.507 386 I N -0.901 119.654 120.570 -0.025 0.000 2.385 386 I HA -0.031 4.140 4.170 0.001 0.000 0.244 386 I C 0.436 176.409 176.117 -0.240 0.000 1.089 386 I CA 0.987 62.220 61.300 -0.113 0.000 1.410 386 I CB 0.189 38.117 38.000 -0.121 0.000 1.117 386 I HN 0.101 nan 8.210 nan 0.000 0.429 387 S N -1.135 114.309 115.700 -0.427 0.000 2.552 387 S HA 0.349 4.820 4.470 0.001 0.000 0.272 387 S C -2.465 171.953 174.600 -0.304 0.000 1.150 387 S CA -1.044 56.968 58.200 -0.312 0.000 0.849 387 S CB 1.711 64.745 63.200 -0.276 0.000 1.113 387 S HN -0.232 nan 8.310 nan 0.000 0.458 388 P HA 0.234 nan 4.420 nan 0.000 0.215 388 P C -0.511 176.721 177.300 -0.114 0.000 1.157 388 P CA 1.209 64.221 63.100 -0.146 0.000 0.856 388 P CB -0.156 31.480 31.700 -0.107 0.000 0.786 389 D N -1.504 118.843 120.400 -0.089 0.000 2.542 389 D HA 0.152 4.792 4.640 0.001 0.000 0.252 389 D C 0.892 177.177 176.300 -0.025 0.000 1.222 389 D CA -0.106 53.868 54.000 -0.044 0.000 0.895 389 D CB 1.489 42.273 40.800 -0.026 0.000 1.207 389 D HN -0.054 nan 8.370 nan 0.000 0.558 390 S N 1.169 116.879 115.700 0.016 0.000 2.371 390 S HA 0.382 4.853 4.470 0.001 0.000 0.221 390 S C 1.103 175.734 174.600 0.053 0.000 1.036 390 S CA 0.843 59.080 58.200 0.062 0.000 0.965 390 S CB 0.440 63.733 63.200 0.155 0.000 0.845 390 S HN 0.564 nan 8.310 nan 0.000 0.475 391 G N 0.088 108.922 108.800 0.056 0.000 2.399 391 G HA2 0.301 4.261 3.960 0.001 0.000 0.256 391 G HA3 0.301 4.261 3.960 0.001 0.000 0.256 391 G C -1.205 173.728 174.900 0.055 0.000 1.236 391 G CA 0.242 45.374 45.100 0.054 0.000 0.914 391 G HN 0.046 nan 8.290 nan 0.000 0.482 392 D N -1.788 118.651 120.400 0.066 0.000 2.433 392 D HA 0.177 4.818 4.640 0.001 0.000 0.211 392 D C 1.342 177.713 176.300 0.118 0.000 1.114 392 D CA 0.201 54.240 54.000 0.064 0.000 0.837 392 D CB 0.450 41.272 40.800 0.036 0.000 0.984 392 D HN 0.318 nan 8.370 nan 0.000 0.505 393 H N 0.595 119.668 119.070 0.004 0.000 2.355 393 H HA 0.237 4.794 4.556 0.001 0.000 0.312 393 H C 1.707 177.037 175.328 0.004 0.000 1.051 393 H CA 1.081 57.129 56.048 0.001 0.000 1.389 393 H CB 0.414 30.177 29.762 0.001 0.000 1.455 393 H HN -0.211 nan 8.280 nan 0.000 0.575 394 K N 0.822 121.195 120.400 -0.046 0.000 2.280 394 K HA -0.103 4.217 4.320 0.001 0.000 0.202 394 K C 2.289 178.863 176.600 -0.043 0.000 1.047 394 K CA 0.770 56.999 56.287 -0.097 0.000 0.942 394 K CB -0.440 32.047 32.500 -0.022 0.000 0.739 394 K HN 0.333 nan 8.250 nan 0.000 0.457 395 L N 0.770 122.004 121.223 0.019 0.000 2.012 395 L HA -0.208 4.132 4.340 0.001 0.000 0.210 395 L C 2.023 178.882 176.870 -0.019 0.000 1.073 395 L CA 1.290 56.144 54.840 0.024 0.000 0.748 395 L CB -0.125 41.962 42.059 0.047 0.000 0.891 395 L HN -0.130 nan 8.230 nan 0.000 0.431 396 V N -0.179 119.731 119.914 -0.006 0.000 2.407 396 V HA -0.248 3.872 4.120 0.001 0.000 0.245 396 V C 2.212 178.280 176.094 -0.044 0.000 1.041 396 V CA 2.039 64.333 62.300 -0.009 0.000 1.040 396 V CB -0.999 30.845 31.823 0.035 0.000 0.671 396 V HN 0.558 nan 8.190 nan 0.000 0.455 397 N N 0.478 119.122 118.700 -0.094 0.000 2.025 397 N HA -0.180 4.561 4.740 0.001 0.000 0.194 397 N C 1.725 177.178 175.510 -0.095 0.000 1.044 397 N CA 1.765 54.743 53.050 -0.120 0.000 0.851 397 N CB -0.041 38.322 38.487 -0.206 0.000 1.036 397 N HN 0.293 nan 8.380 nan 0.000 0.422 398 V N 0.478 120.320 119.914 -0.120 0.000 2.759 398 V HA -0.067 4.054 4.120 0.001 0.000 0.256 398 V C 2.270 178.302 176.094 -0.104 0.000 1.080 398 V CA 1.634 63.841 62.300 -0.154 0.000 1.101 398 V CB -0.674 30.956 31.823 -0.322 0.000 0.698 398 V HN 0.480 nan 8.190 nan 0.000 0.477 399 G N 1.591 110.345 108.800 -0.075 0.000 2.402 399 G HA2 -0.213 3.748 3.960 0.001 0.000 0.216 399 G HA3 -0.213 3.748 3.960 0.001 0.000 0.216 399 G C 1.437 176.336 174.900 -0.002 0.000 1.162 399 G CA 0.578 45.659 45.100 -0.031 0.000 0.777 399 G HN 0.651 nan 8.290 nan 0.000 0.539 400 R N -0.027 120.464 120.500 -0.017 0.000 2.426 400 R HA 0.353 4.694 4.340 0.001 0.000 0.263 400 R C 1.321 177.615 176.300 -0.009 0.000 0.961 400 R CA 0.464 56.558 56.100 -0.011 0.000 1.086 400 R CB -0.129 30.162 30.300 -0.016 0.000 1.186 400 R HN 0.059 nan 8.270 nan 0.000 0.537 401 T N 0.989 115.538 114.554 -0.009 0.000 2.837 401 T HA 0.076 4.427 4.350 0.001 0.000 0.248 401 T C 2.102 176.798 174.700 -0.006 0.000 1.033 401 T CA 1.114 63.207 62.100 -0.011 0.000 1.150 401 T CB -0.107 68.747 68.868 -0.023 0.000 0.865 401 T HN 0.403 nan 8.240 nan 0.000 0.425 402 A N 1.809 124.642 122.820 0.021 0.000 1.958 402 A HA -0.037 4.283 4.320 0.001 0.000 0.221 402 A C 2.593 180.159 177.584 -0.030 0.000 1.178 402 A CA 2.178 54.200 52.037 -0.025 0.000 0.642 402 A CB -1.241 17.785 19.000 0.044 0.000 0.816 402 A HN 0.526 nan 8.150 nan 0.000 0.453 403 A N -0.828 121.993 122.820 0.001 0.000 1.940 403 A HA -0.137 4.183 4.320 0.001 0.000 0.221 403 A C 2.248 179.829 177.584 -0.006 0.000 1.190 403 A CA 2.357 54.391 52.037 -0.005 0.000 0.647 403 A CB -0.903 18.097 19.000 0.000 0.000 0.821 403 A HN 0.525 nan 8.150 nan 0.000 0.457 404 V N -1.060 118.850 119.914 -0.007 0.000 2.426 404 V HA -0.136 3.984 4.120 0.001 0.000 0.242 404 V C 2.489 178.576 176.094 -0.012 0.000 1.036 404 V CA 1.399 63.697 62.300 -0.002 0.000 1.044 404 V CB -0.653 31.170 31.823 0.000 0.000 0.688 404 V HN 0.337 nan 8.190 nan 0.000 0.462 405 V N 0.827 120.724 119.914 -0.028 0.000 2.439 405 V HA -0.336 3.785 4.120 0.001 0.000 0.253 405 V C 2.632 178.699 176.094 -0.046 0.000 1.074 405 V CA 2.215 64.490 62.300 -0.040 0.000 1.076 405 V CB -1.235 30.546 31.823 -0.070 0.000 0.664 405 V HN 0.559 nan 8.190 nan 0.000 0.461 406 A N -0.163 122.622 122.820 -0.058 0.000 1.821 406 A HA -0.182 4.138 4.320 0.001 0.000 0.215 406 A C 2.231 179.806 177.584 -0.015 0.000 1.214 406 A CA 1.927 53.929 52.037 -0.058 0.000 0.608 406 A CB -0.807 18.155 19.000 -0.062 0.000 0.862 406 A HN 0.455 nan 8.150 nan 0.000 0.448 407 L N 0.502 121.726 121.223 0.002 0.000 2.085 407 L HA -0.274 4.066 4.340 0.001 0.000 0.218 407 L C 2.491 179.379 176.870 0.030 0.000 1.080 407 L CA 2.488 57.343 54.840 0.026 0.000 0.776 407 L CB -0.441 41.637 42.059 0.032 0.000 0.891 407 L HN 0.671 nan 8.230 nan 0.000 0.437 408 I N -2.558 118.024 120.570 0.020 0.000 2.252 408 I HA -0.267 3.903 4.170 0.001 0.000 0.245 408 I C 2.362 178.499 176.117 0.034 0.000 1.102 408 I CA 1.623 62.936 61.300 0.021 0.000 1.385 408 I CB -0.618 37.389 38.000 0.012 0.000 1.064 408 I HN 0.211 nan 8.210 nan 0.000 0.414 409 I N 2.038 122.633 120.570 0.041 0.000 2.202 409 I HA -0.203 3.968 4.170 0.001 0.000 0.242 409 I C 3.104 179.281 176.117 0.100 0.000 1.091 409 I CA 1.315 62.663 61.300 0.080 0.000 1.368 409 I CB -0.553 37.511 38.000 0.107 0.000 1.058 409 I HN 0.298 nan 8.210 nan 0.000 0.410 410 A N -0.040 122.827 122.820 0.079 0.000 1.903 410 A HA -0.301 4.020 4.320 0.001 0.000 0.219 410 A C 2.409 180.044 177.584 0.085 0.000 1.191 410 A CA 2.259 54.351 52.037 0.091 0.000 0.638 410 A CB -1.401 17.643 19.000 0.073 0.000 0.823 410 A HN 0.566 nan 8.150 nan 0.000 0.451 411 C N -1.791 117.547 119.300 0.064 0.000 2.446 411 C HA 0.072 4.532 4.460 0.001 0.000 0.279 411 C C 2.519 177.536 174.990 0.044 0.000 1.366 411 C CA 0.920 59.970 59.018 0.052 0.000 1.763 411 C CB -1.356 26.404 27.740 0.034 0.000 1.929 411 C HN 0.647 nan 8.230 nan 0.000 0.509 412 L N 1.497 122.747 121.223 0.045 0.000 2.023 412 L HA 0.021 4.362 4.340 0.001 0.000 0.205 412 L C 2.234 179.122 176.870 0.031 0.000 1.073 412 L CA 1.836 56.696 54.840 0.033 0.000 0.745 412 L CB -0.453 41.628 42.059 0.036 0.000 0.900 412 L HN 0.426 nan 8.230 nan 0.000 0.435 413 I N -3.777 116.822 120.570 0.048 0.000 3.419 413 I HA 0.129 4.299 4.170 0.001 0.000 0.286 413 I C 2.130 178.257 176.117 0.018 0.000 1.268 413 I CA 0.829 62.144 61.300 0.026 0.000 1.414 413 I CB -0.905 37.126 38.000 0.052 0.000 1.074 413 I HN 0.133 nan 8.210 nan 0.000 0.457 414 A N 3.591 126.444 122.820 0.055 0.000 1.869 414 A HA -0.141 4.179 4.320 0.001 0.000 0.218 414 A C 0.380 178.009 177.584 0.076 0.000 1.203 414 A CA 2.379 54.465 52.037 0.082 0.000 0.638 414 A CB -2.282 16.782 19.000 0.107 0.000 0.831 414 A HN 0.478 nan 8.150 nan 0.000 0.450 415 P HA -0.124 nan 4.420 nan 0.000 0.225 415 P C 1.324 178.617 177.300 -0.011 0.000 1.148 415 P CA 1.077 64.234 63.100 0.097 0.000 0.779 415 P CB -0.291 31.451 31.700 0.070 0.000 0.780 416 M N -0.922 118.628 119.600 -0.085 0.000 2.549 416 M HA -0.018 4.462 4.480 0.001 0.000 0.260 416 M C 1.583 177.721 176.300 -0.269 0.000 1.076 416 M CA 1.064 56.278 55.300 -0.143 0.000 1.090 416 M CB -0.565 31.954 32.600 -0.134 0.000 1.418 416 M HN -0.015 nan 8.290 nan 0.000 0.486 417 L N -0.766 120.181 121.223 -0.460 0.000 2.591 417 L HA 0.106 4.447 4.340 0.001 0.000 0.228 417 L C 2.219 178.590 176.870 -0.831 0.000 1.133 417 L CA 0.099 54.478 54.840 -0.769 0.000 0.880 417 L CB -1.033 40.381 42.059 -1.075 0.000 1.033 417 L HN 0.312 nan 8.230 nan 0.000 0.450 418 G N 0.275 108.839 108.800 -0.393 0.000 2.534 418 G HA2 -0.113 3.848 3.960 0.001 0.000 0.217 418 G HA3 -0.113 3.848 3.960 0.001 0.000 0.217 418 G C 1.183 176.065 174.900 -0.029 0.000 1.128 418 G CA 0.533 45.636 45.100 0.004 0.000 0.784 418 G HN 0.474 nan 8.290 nan 0.000 0.542 419 G N 0.232 108.971 108.800 -0.101 0.000 3.782 419 G HA2 0.512 4.473 3.960 0.001 0.000 0.288 419 G HA3 0.512 4.473 3.960 0.001 0.000 0.288 419 G C -0.257 174.590 174.900 -0.088 0.000 1.300 419 G CA -0.367 44.690 45.100 -0.071 0.000 1.261 419 G HN 0.303 nan 8.290 nan 0.000 0.591 420 I N -0.759 119.752 120.570 -0.099 0.000 2.769 420 I HA 0.348 4.518 4.170 0.001 0.000 0.298 420 I C 1.332 177.445 176.117 -0.006 0.000 1.128 420 I CA -1.092 60.163 61.300 -0.075 0.000 1.031 420 I CB 2.307 40.210 38.000 -0.161 0.000 1.235 420 I HN 0.134 nan 8.210 nan 0.000 0.423 421 G N 3.394 112.212 108.800 0.031 0.000 2.454 421 G HA2 -0.032 3.929 3.960 0.001 0.000 0.214 421 G HA3 -0.032 3.929 3.960 0.001 0.000 0.214 421 G C 0.252 175.209 174.900 0.095 0.000 1.217 421 G CA 0.555 45.693 45.100 0.063 0.000 0.799 421 G HN 0.623 nan 8.290 nan 0.000 0.538 422 Q N -0.307 119.564 119.800 0.119 0.000 2.320 422 Q HA 0.641 4.981 4.340 0.001 0.000 0.268 422 Q C 0.777 176.892 176.000 0.192 0.000 1.023 422 Q CA -0.289 55.614 55.803 0.168 0.000 0.744 422 Q CB 2.158 31.008 28.738 0.187 0.000 1.246 422 Q HN 0.205 nan 8.270 nan 0.000 0.462 423 A N 2.741 125.688 122.820 0.211 0.000 1.883 423 A HA -0.218 4.102 4.320 0.001 0.000 0.217 423 A C 1.589 179.329 177.584 0.260 0.000 1.186 423 A CA 1.394 53.569 52.037 0.230 0.000 0.624 423 A CB -0.526 18.635 19.000 0.269 0.000 0.822 423 A HN 0.863 nan 8.150 nan 0.000 0.444 424 F N 0.635 120.643 119.950 0.096 0.000 2.111 424 F HA -0.303 4.224 4.527 0.001 0.000 0.300 424 F C 2.551 178.340 175.800 -0.017 0.000 1.088 424 F CA 2.454 60.459 58.000 0.008 0.000 1.243 424 F CB -0.016 38.959 39.000 -0.042 0.000 0.996 424 F HN 0.248 nan 8.300 nan 0.000 0.483 425 Q N -1.224 118.708 119.800 0.220 0.000 2.245 425 Q HA -0.198 4.142 4.340 0.001 0.000 0.201 425 Q C 1.986 177.967 176.000 -0.032 0.000 0.955 425 Q CA 1.338 57.228 55.803 0.145 0.000 0.870 425 Q CB -0.924 27.974 28.738 0.268 0.000 0.945 425 Q HN 0.669 nan 8.270 nan 0.000 0.461 426 Y N 1.347 121.617 120.300 -0.051 0.000 2.114 426 Y HA -0.206 4.344 4.550 0.001 0.000 0.284 426 Y C 2.023 177.893 175.900 -0.051 0.000 1.143 426 Y CA 1.328 59.427 58.100 -0.002 0.000 1.135 426 Y CB -0.459 38.034 38.460 0.056 0.000 0.980 426 Y HN -0.040 nan 8.280 nan 0.000 0.499 427 I N 0.228 120.648 120.570 -0.249 0.000 2.127 427 I HA -0.368 3.802 4.170 0.001 0.000 0.241 427 I C 2.446 178.289 176.117 -0.457 0.000 1.075 427 I CA 1.596 62.664 61.300 -0.387 0.000 1.334 427 I CB -0.491 37.337 38.000 -0.288 0.000 1.040 427 I HN 0.310 nan 8.210 nan 0.000 0.405 428 Q N 0.162 119.642 119.800 -0.534 0.000 2.119 428 Q HA -0.248 4.093 4.340 0.001 0.000 0.201 428 Q C 1.997 177.609 176.000 -0.646 0.000 0.972 428 Q CA 1.522 57.034 55.803 -0.486 0.000 0.847 428 Q CB -0.372 28.130 28.738 -0.393 0.000 0.903 428 Q HN 0.597 nan 8.270 nan 0.000 0.433 429 E N -0.639 118.918 120.200 -1.070 0.000 2.072 429 E HA -0.177 4.173 4.350 0.001 0.000 0.191 429 E C 1.197 177.185 176.600 -1.021 0.000 0.985 429 E CA 0.910 56.307 56.400 -1.670 0.000 0.801 429 E CB 0.042 28.746 29.700 -1.660 0.000 0.750 429 E HN 0.307 nan 8.360 nan 0.000 0.452 430 Y N 0.101 120.052 120.300 -0.581 0.000 2.436 430 Y HA -0.015 4.535 4.550 0.001 0.000 0.288 430 Y C 2.719 178.422 175.900 -0.328 0.000 1.112 430 Y CA 1.377 59.220 58.100 -0.428 0.000 1.220 430 Y CB -0.351 37.802 38.460 -0.512 0.000 1.073 430 Y HN 0.224 nan 8.280 nan 0.000 0.552 431 T N -2.482 111.952 114.554 -0.200 0.000 2.881 431 T HA -0.128 4.222 4.350 0.001 0.000 0.270 431 T C 2.279 176.847 174.700 -0.220 0.000 1.068 431 T CA 1.295 63.282 62.100 -0.188 0.000 1.131 431 T CB -0.891 67.885 68.868 -0.154 0.000 0.871 431 T HN 0.350 nan 8.240 nan 0.000 0.479 432 G N 0.971 109.634 108.800 -0.228 0.000 2.527 432 G HA2 -0.041 3.920 3.960 0.001 0.000 0.219 432 G HA3 -0.041 3.920 3.960 0.001 0.000 0.219 432 G C 1.434 176.248 174.900 -0.144 0.000 1.117 432 G CA 0.635 45.631 45.100 -0.173 0.000 0.759 432 G HN 0.560 nan 8.290 nan 0.000 0.556 433 L N -0.874 120.260 121.223 -0.148 0.000 2.179 433 L HA 0.086 4.426 4.340 0.001 0.000 0.208 433 L C 2.626 179.393 176.870 -0.171 0.000 1.096 433 L CA 0.458 55.232 54.840 -0.109 0.000 0.779 433 L CB 0.029 42.058 42.059 -0.050 0.000 0.922 433 L HN 0.203 nan 8.230 nan 0.000 0.443 434 V N -1.739 118.033 119.914 -0.236 0.000 3.013 434 V HA -0.102 4.019 4.120 0.001 0.000 0.238 434 V C 2.461 178.356 176.094 -0.331 0.000 1.161 434 V CA 1.135 63.241 62.300 -0.324 0.000 1.170 434 V CB 0.780 32.386 31.823 -0.361 0.000 0.917 434 V HN 0.563 nan 8.190 nan 0.000 0.478 435 S N 1.589 117.025 115.700 -0.440 0.000 2.402 435 S HA -0.115 4.356 4.470 0.001 0.000 0.233 435 S C -0.218 174.197 174.600 -0.309 0.000 1.030 435 S CA 1.900 59.669 58.200 -0.717 0.000 1.003 435 S CB -1.765 60.952 63.200 -0.806 0.000 0.813 435 S HN 0.573 nan 8.310 nan 0.000 0.477 436 P HA 0.160 nan 4.420 nan 0.000 0.217 436 P C 1.932 179.234 177.300 0.002 0.000 1.154 436 P CA 1.482 64.583 63.100 0.002 0.000 0.841 436 P CB -0.729 31.005 31.700 0.056 0.000 0.788 437 G N 0.889 109.670 108.800 -0.031 0.000 2.402 437 G HA2 -0.210 3.751 3.960 0.001 0.000 0.216 437 G HA3 -0.210 3.751 3.960 0.001 0.000 0.216 437 G C 1.419 176.261 174.900 -0.096 0.000 1.162 437 G CA 0.709 45.793 45.100 -0.027 0.000 0.777 437 G HN 0.424 nan 8.290 nan 0.000 0.539 438 I N -1.583 118.883 120.570 -0.172 0.000 3.578 438 I HA 0.286 4.457 4.170 0.001 0.000 0.295 438 I C 2.032 177.874 176.117 -0.458 0.000 1.280 438 I CA 0.132 61.233 61.300 -0.333 0.000 1.347 438 I CB 0.107 37.895 38.000 -0.354 0.000 1.051 438 I HN 0.074 nan 8.210 nan 0.000 0.460 439 L N 2.128 123.278 121.223 -0.122 0.000 2.102 439 L HA 0.237 4.578 4.340 0.001 0.000 0.202 439 L C 2.701 179.600 176.870 0.049 0.000 1.076 439 L CA 2.084 56.965 54.840 0.069 0.000 0.761 439 L CB -0.979 41.259 42.059 0.298 0.000 0.921 439 L HN 0.257 nan 8.230 nan 0.000 0.444 440 A N -0.773 122.071 122.820 0.040 0.000 1.927 440 A HA -0.234 4.086 4.320 0.001 0.000 0.220 440 A C 2.351 179.975 177.584 0.068 0.000 1.185 440 A CA 2.351 54.422 52.037 0.057 0.000 0.639 440 A CB -1.301 17.705 19.000 0.011 0.000 0.820 440 A HN 0.314 nan 8.150 nan 0.000 0.451 441 V N -1.001 118.902 119.914 -0.017 0.000 2.255 441 V HA -0.294 3.826 4.120 0.001 0.000 0.247 441 V C 2.342 178.596 176.094 0.267 0.000 1.051 441 V CA 2.319 64.637 62.300 0.030 0.000 1.018 441 V CB -0.801 30.936 31.823 -0.144 0.000 0.641 441 V HN 0.678 nan 8.190 nan 0.000 0.445 442 F N -1.235 118.742 119.950 0.046 0.000 2.069 442 F HA -0.238 4.289 4.527 0.001 0.000 0.298 442 F C 2.337 178.185 175.800 0.081 0.000 1.113 442 F CA 0.837 58.774 58.000 -0.106 0.000 1.214 442 F CB -0.305 38.010 39.000 -1.142 0.000 0.978 442 F HN 0.150 nan 8.300 nan 0.000 0.474 443 L N 0.255 121.699 121.223 0.369 0.000 1.989 443 L HA -0.251 4.090 4.340 0.001 0.000 0.211 443 L C 2.379 179.556 176.870 0.512 0.000 1.071 443 L CA 1.774 56.956 54.840 0.570 0.000 0.749 443 L CB -1.520 40.816 42.059 0.462 0.000 0.890 443 L HN 0.240 nan 8.230 nan 0.000 0.431 444 L N -1.057 120.406 121.223 0.401 0.000 2.083 444 L HA -0.133 4.207 4.340 0.001 0.000 0.209 444 L C 2.577 179.716 176.870 0.449 0.000 1.083 444 L CA 1.179 56.282 54.840 0.439 0.000 0.752 444 L CB -1.140 41.163 42.059 0.405 0.000 0.899 444 L HN 0.353 nan 8.230 nan 0.000 0.433 445 G N 0.449 109.517 108.800 0.447 0.000 2.587 445 G HA2 -0.279 3.681 3.960 0.001 0.000 0.217 445 G HA3 -0.279 3.681 3.960 0.001 0.000 0.217 445 G C 1.599 176.626 174.900 0.212 0.000 1.240 445 G CA 0.736 46.012 45.100 0.294 0.000 0.794 445 G HN 0.188 nan 8.290 nan 0.000 0.580 446 L N -1.023 120.384 121.223 0.306 0.000 1.978 446 L HA -0.130 4.211 4.340 0.001 0.000 0.218 446 L C 2.729 179.420 176.870 -0.298 0.000 1.075 446 L CA 1.694 56.428 54.840 -0.178 0.000 0.767 446 L CB -0.260 41.336 42.059 -0.772 0.000 0.890 446 L HN 0.306 nan 8.230 nan 0.000 0.434 447 F N -3.823 116.228 119.950 0.169 0.000 2.731 447 F HA 0.038 4.566 4.527 0.001 0.000 0.298 447 F C 0.417 176.370 175.800 0.256 0.000 1.106 447 F CA -0.500 57.581 58.000 0.134 0.000 1.329 447 F CB 0.421 39.454 39.000 0.055 0.000 1.100 447 F HN 0.088 nan 8.300 nan 0.000 0.592 448 W N 3.567 124.975 121.300 0.181 0.000 2.391 448 W HA 0.287 4.948 4.660 0.001 0.000 0.312 448 W C 1.038 177.603 176.519 0.076 0.000 1.003 448 W CA -2.036 55.384 57.345 0.125 0.000 1.375 448 W CB 0.698 30.233 29.460 0.125 0.000 1.253 448 W HN -0.059 nan 8.180 nan 0.000 0.416 449 K N 2.476 122.831 120.400 -0.075 0.000 2.442 449 K HA -0.172 4.148 4.320 0.001 0.000 0.198 449 K C 1.390 177.748 176.600 -0.403 0.000 1.044 449 K CA 1.077 57.247 56.287 -0.196 0.000 0.948 449 K CB 0.289 32.723 32.500 -0.109 0.000 0.762 449 K HN 0.154 nan 8.250 nan 0.000 0.472 450 K N 2.091 121.961 120.400 -0.882 0.000 2.365 450 K HA 0.021 4.341 4.320 0.001 0.000 0.197 450 K C -0.210 175.977 176.600 -0.689 0.000 1.042 450 K CA 0.483 56.202 56.287 -0.948 0.000 0.987 450 K CB -0.267 31.301 32.500 -1.554 0.000 0.779 450 K HN 0.117 nan 8.250 nan 0.000 0.484 451 T N 1.262 115.525 114.554 -0.486 0.000 2.940 451 T HA 0.114 4.465 4.350 0.001 0.000 0.309 451 T C 0.302 175.074 174.700 0.120 0.000 1.056 451 T CA 0.366 62.464 62.100 -0.003 0.000 1.137 451 T CB 0.822 69.893 68.868 0.339 0.000 0.976 451 T HN 0.464 nan 8.240 nan 0.000 0.547 452 T N -0.814 113.856 114.554 0.194 0.000 2.908 452 T HA 0.415 4.766 4.350 0.001 0.000 0.290 452 T C 1.402 176.239 174.700 0.228 0.000 1.034 452 T CA -0.906 61.316 62.100 0.204 0.000 1.010 452 T CB 1.720 70.627 68.868 0.064 0.000 1.068 452 T HN 0.268 nan 8.240 nan 0.000 0.481 453 S N 1.172 117.041 115.700 0.282 0.000 2.374 453 S HA -0.127 4.343 4.470 0.001 0.000 0.227 453 S C 2.638 177.186 174.600 -0.087 0.000 1.037 453 S CA 2.064 60.309 58.200 0.075 0.000 1.024 453 S CB -0.948 62.342 63.200 0.150 0.000 0.861 453 S HN 1.002 nan 8.310 nan 0.000 0.456 454 K N 1.307 121.697 120.400 -0.016 0.000 2.009 454 K HA -0.028 4.293 4.320 0.001 0.000 0.210 454 K C 2.344 178.911 176.600 -0.056 0.000 1.049 454 K CA 1.825 58.094 56.287 -0.030 0.000 0.929 454 K CB -1.882 30.617 32.500 -0.002 0.000 0.714 454 K HN 0.468 nan 8.250 nan 0.000 0.440 455 G N 0.555 109.333 108.800 -0.038 0.000 2.480 455 G HA2 -0.026 3.935 3.960 0.001 0.000 0.216 455 G HA3 -0.026 3.935 3.960 0.001 0.000 0.216 455 G C 2.054 176.884 174.900 -0.116 0.000 1.200 455 G CA 2.372 47.448 45.100 -0.039 0.000 0.782 455 G HN 0.937 nan 8.290 nan 0.000 0.554 456 A N 1.047 123.730 122.820 -0.229 0.000 1.881 456 A HA -0.186 4.134 4.320 0.001 0.000 0.219 456 A C 2.403 179.819 177.584 -0.281 0.000 1.215 456 A CA 1.997 53.792 52.037 -0.403 0.000 0.648 456 A CB -0.553 17.826 19.000 -1.035 0.000 0.832 456 A HN 0.312 nan 8.150 nan 0.000 0.455 457 I N -0.193 120.229 120.570 -0.247 0.000 2.091 457 I HA -0.274 3.896 4.170 0.001 0.000 0.239 457 I C 2.586 178.646 176.117 -0.095 0.000 1.061 457 I CA 1.710 62.916 61.300 -0.157 0.000 1.317 457 I CB -1.190 36.741 38.000 -0.116 0.000 1.031 457 I HN 0.373 nan 8.210 nan 0.000 0.401 458 I N 0.673 121.197 120.570 -0.077 0.000 2.091 458 I HA -0.278 3.892 4.170 0.001 0.000 0.239 458 I C 2.730 178.818 176.117 -0.048 0.000 1.061 458 I CA 1.908 63.180 61.300 -0.047 0.000 1.317 458 I CB -1.073 36.900 38.000 -0.045 0.000 1.031 458 I HN 0.275 nan 8.210 nan 0.000 0.401 459 G N 0.199 108.945 108.800 -0.091 0.000 2.491 459 G HA2 -0.272 3.688 3.960 0.001 0.000 0.218 459 G HA3 -0.272 3.688 3.960 0.001 0.000 0.218 459 G C 1.802 176.678 174.900 -0.040 0.000 1.180 459 G CA 1.099 46.128 45.100 -0.118 0.000 0.774 459 G HN 0.316 nan 8.290 nan 0.000 0.562 460 V N 0.169 120.061 119.914 -0.038 0.000 2.407 460 V HA -0.134 3.986 4.120 0.001 0.000 0.248 460 V C 2.964 179.136 176.094 0.130 0.000 1.055 460 V CA 1.922 64.237 62.300 0.025 0.000 1.049 460 V CB -0.170 31.643 31.823 -0.017 0.000 0.662 460 V HN 0.199 nan 8.190 nan 0.000 0.455 461 V N 0.453 120.433 119.914 0.109 0.000 2.307 461 V HA -0.156 3.964 4.120 0.001 0.000 0.245 461 V C 2.744 178.923 176.094 0.142 0.000 1.045 461 V CA 2.018 64.412 62.300 0.158 0.000 1.024 461 V CB -1.067 30.810 31.823 0.089 0.000 0.651 461 V HN 0.628 nan 8.190 nan 0.000 0.449 462 A N -0.791 122.106 122.820 0.127 0.000 2.178 462 A HA -0.151 4.169 4.320 0.001 0.000 0.218 462 A C 2.395 180.171 177.584 0.320 0.000 1.157 462 A CA 1.714 53.870 52.037 0.197 0.000 0.689 462 A CB -0.477 18.631 19.000 0.180 0.000 0.787 462 A HN 0.507 nan 8.150 nan 0.000 0.465 463 S N 0.062 115.921 115.700 0.264 0.000 2.348 463 S HA -0.136 4.335 4.470 0.001 0.000 0.221 463 S C 1.787 176.499 174.600 0.187 0.000 1.033 463 S CA 1.463 59.829 58.200 0.277 0.000 1.010 463 S CB -0.473 62.820 63.200 0.155 0.000 0.891 463 S HN 0.600 nan 8.310 nan 0.000 0.442 464 I N 2.573 123.187 120.570 0.074 0.000 2.087 464 I HA -0.216 3.954 4.170 0.001 0.000 0.240 464 I C -0.759 175.400 176.117 0.070 0.000 1.054 464 I CA 1.430 62.734 61.300 0.006 0.000 1.311 464 I CB -1.729 36.233 38.000 -0.064 0.000 1.024 464 I HN 0.250 nan 8.210 nan 0.000 0.402 465 P HA -0.261 nan 4.420 nan 0.000 0.215 465 P C 1.813 179.190 177.300 0.128 0.000 1.163 465 P CA 1.869 65.030 63.100 0.102 0.000 0.894 465 P CB -0.307 31.449 31.700 0.092 0.000 0.791 466 F N 1.079 120.975 119.950 -0.090 0.000 2.065 466 F HA -0.213 4.314 4.527 0.001 0.000 0.298 466 F C 2.456 178.238 175.800 -0.030 0.000 1.112 466 F CA 1.993 59.870 58.000 -0.205 0.000 1.212 466 F CB -1.158 37.475 39.000 -0.613 0.000 0.975 466 F HN -0.083 nan 8.300 nan 0.000 0.476 467 A N 0.427 123.282 122.820 0.060 0.000 1.908 467 A HA -0.190 4.130 4.320 0.001 0.000 0.218 467 A C 2.344 179.913 177.584 -0.026 0.000 1.181 467 A CA 2.008 54.036 52.037 -0.015 0.000 0.627 467 A CB -1.269 17.752 19.000 0.036 0.000 0.818 467 A HN 0.516 nan 8.150 nan 0.000 0.445 468 L N -2.200 119.063 121.223 0.067 0.000 2.093 468 L HA -0.142 4.199 4.340 0.001 0.000 0.208 468 L C 2.482 179.455 176.870 0.172 0.000 1.085 468 L CA 1.520 56.472 54.840 0.187 0.000 0.755 468 L CB -0.529 41.631 42.059 0.168 0.000 0.904 468 L HN 0.532 nan 8.230 nan 0.000 0.435 469 F N 0.869 120.776 119.950 -0.072 0.000 2.069 469 F HA -0.252 4.275 4.527 0.001 0.000 0.298 469 F C 2.201 177.891 175.800 -0.184 0.000 1.113 469 F CA 1.656 59.583 58.000 -0.122 0.000 1.214 469 F CB -0.211 38.661 39.000 -0.212 0.000 0.978 469 F HN -0.130 nan 8.300 nan 0.000 0.474 470 L N -0.032 121.004 121.223 -0.312 0.000 2.046 470 L HA -0.204 4.137 4.340 0.001 0.000 0.208 470 L C 2.456 179.115 176.870 -0.351 0.000 1.077 470 L CA 1.697 56.293 54.840 -0.407 0.000 0.747 470 L CB -0.857 40.978 42.059 -0.373 0.000 0.896 470 L HN 0.107 nan 8.230 nan 0.000 0.432 471 K N 0.614 120.841 120.400 -0.288 0.000 2.103 471 K HA -0.137 4.184 4.320 0.001 0.000 0.207 471 K C 0.694 176.864 176.600 -0.717 0.000 1.048 471 K CA 1.557 57.568 56.287 -0.460 0.000 0.930 471 K CB -0.062 32.187 32.500 -0.418 0.000 0.716 471 K HN 0.151 nan 8.250 nan 0.000 0.444 472 F N -0.229 119.601 119.950 -0.199 0.000 2.879 472 F HA 0.372 4.899 4.527 0.001 0.000 0.354 472 F C -0.334 175.306 175.800 -0.267 0.000 1.291 472 F CA -0.765 57.129 58.000 -0.176 0.000 1.238 472 F CB 0.580 39.513 39.000 -0.112 0.000 1.005 472 F HN -0.088 nan 8.300 nan 0.000 0.508 473 M N 0.856 120.291 119.600 -0.276 0.000 2.591 473 M HA 0.517 4.998 4.480 0.001 0.000 0.306 473 M C -1.683 174.478 176.300 -0.231 0.000 1.190 473 M CA -2.604 52.486 55.300 -0.349 0.000 0.889 473 M CB 1.524 33.698 32.600 -0.709 0.000 1.728 473 M HN -0.227 nan 8.290 nan 0.000 0.458 474 P HA -0.129 nan 4.420 nan 0.000 0.212 474 P C 0.198 177.424 177.300 -0.123 0.000 1.178 474 P CA 1.086 64.116 63.100 -0.116 0.000 0.915 474 P CB -0.776 30.873 31.700 -0.084 0.000 0.788 475 L N -0.794 120.349 121.223 -0.133 0.000 3.257 475 L HA -0.087 4.254 4.340 0.001 0.000 0.317 475 L C -0.509 176.293 176.870 -0.114 0.000 0.906 475 L CA 0.445 55.213 54.840 -0.120 0.000 1.032 475 L CB -1.695 40.276 42.059 -0.147 0.000 1.616 475 L HN -0.152 nan 8.230 nan 0.000 0.447 476 S N 6.640 122.294 115.700 -0.077 0.000 2.466 476 S HA 0.478 4.948 4.470 0.001 0.000 0.286 476 S C 0.052 174.623 174.600 -0.047 0.000 1.221 476 S CA -0.204 57.958 58.200 -0.063 0.000 1.091 476 S CB 0.487 63.665 63.200 -0.036 0.000 0.956 476 S HN 0.750 nan 8.310 nan 0.000 0.501 477 M N 5.703 125.264 119.600 -0.066 0.000 2.277 477 M HA 0.402 4.883 4.480 0.001 0.000 0.282 477 M C -2.894 173.364 176.300 -0.070 0.000 1.074 477 M CA -2.067 53.204 55.300 -0.048 0.000 0.954 477 M CB 1.929 34.493 32.600 -0.060 0.000 1.672 477 M HN 0.252 nan 8.290 nan 0.000 0.471 478 P HA 0.051 nan 4.420 nan 0.000 0.268 478 P C 0.112 177.310 177.300 -0.170 0.000 1.208 478 P CA -0.123 62.854 63.100 -0.206 0.000 0.777 478 P CB 0.168 31.660 31.700 -0.348 0.000 0.875 479 F N 0.309 120.171 119.950 -0.146 0.000 2.259 479 F HA 0.004 4.531 4.527 0.001 0.000 0.298 479 F C 1.942 177.680 175.800 -0.105 0.000 1.088 479 F CA 1.085 58.991 58.000 -0.156 0.000 1.358 479 F CB -1.185 37.682 39.000 -0.222 0.000 1.040 479 F HN 0.059 nan 8.300 nan 0.000 0.505 480 M N 0.718 120.050 119.600 -0.447 0.000 2.059 480 M HA -0.202 4.278 4.480 0.001 0.000 0.259 480 M C 2.099 178.345 176.300 -0.090 0.000 1.072 480 M CA 1.948 57.121 55.300 -0.212 0.000 1.117 480 M CB -0.602 31.764 32.600 -0.391 0.000 1.320 480 M HN 0.128 nan 8.290 nan 0.000 0.408 481 D N -0.061 120.263 120.400 -0.128 0.000 2.172 481 D HA -0.234 4.407 4.640 0.001 0.000 0.196 481 D C 1.881 178.250 176.300 0.115 0.000 0.999 481 D CA 1.500 55.489 54.000 -0.019 0.000 0.856 481 D CB -0.159 40.642 40.800 0.002 0.000 0.934 481 D HN 0.474 nan 8.370 nan 0.000 0.453 482 Q N -0.180 119.674 119.800 0.090 0.000 1.993 482 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 482 Q C 2.413 178.513 176.000 0.166 0.000 0.984 482 Q CA 1.560 57.441 55.803 0.131 0.000 0.837 482 Q CB -0.050 28.711 28.738 0.039 0.000 0.902 482 Q HN 0.359 nan 8.270 nan 0.000 0.423 483 M N -0.627 119.051 119.600 0.129 0.000 2.630 483 M HA 0.017 4.498 4.480 0.001 0.000 0.254 483 M C 1.656 178.037 176.300 0.135 0.000 1.092 483 M CA 0.848 56.223 55.300 0.127 0.000 1.087 483 M CB -0.119 32.547 32.600 0.109 0.000 1.453 483 M HN 0.258 nan 8.290 nan 0.000 0.509 484 L N 0.381 121.667 121.223 0.106 0.000 1.973 484 L HA -0.160 4.181 4.340 0.001 0.000 0.208 484 L C 2.335 179.268 176.870 0.105 0.000 1.073 484 L CA 1.734 56.606 54.840 0.055 0.000 0.746 484 L CB -0.618 41.401 42.059 -0.067 0.000 0.891 484 L HN 0.183 nan 8.230 nan 0.000 0.433 485 Y N 0.513 120.906 120.300 0.156 0.000 2.132 485 Y HA -0.383 4.168 4.550 0.001 0.000 0.280 485 Y C 2.657 178.797 175.900 0.400 0.000 1.193 485 Y CA 2.099 60.346 58.100 0.246 0.000 1.157 485 Y CB -0.882 37.723 38.460 0.241 0.000 0.966 485 Y HN 0.334 nan 8.280 nan 0.000 0.511 486 T N 0.739 115.632 114.554 0.565 0.000 2.580 486 T HA -0.302 4.049 4.350 0.001 0.000 0.265 486 T C 1.949 176.851 174.700 0.338 0.000 1.063 486 T CA 1.665 64.095 62.100 0.549 0.000 1.170 486 T CB -0.949 68.127 68.868 0.347 0.000 0.863 486 T HN 0.404 nan 8.240 nan 0.000 0.418 487 L N 0.654 122.005 121.223 0.214 0.000 1.997 487 L HA -0.137 4.203 4.340 0.001 0.000 0.216 487 L C 2.405 179.331 176.870 0.093 0.000 1.074 487 L CA 1.655 56.574 54.840 0.131 0.000 0.763 487 L CB -0.522 41.606 42.059 0.116 0.000 0.890 487 L HN 0.261 nan 8.230 nan 0.000 0.434 488 L N -1.098 120.189 121.223 0.106 0.000 2.012 488 L HA -0.264 4.076 4.340 0.001 0.000 0.210 488 L C 2.530 179.408 176.870 0.013 0.000 1.073 488 L CA 1.963 56.831 54.840 0.048 0.000 0.748 488 L CB -0.672 41.426 42.059 0.065 0.000 0.891 488 L HN 0.444 nan 8.230 nan 0.000 0.431 489 F N 0.710 120.588 119.950 -0.119 0.000 2.075 489 F HA -0.256 4.272 4.527 0.001 0.000 0.297 489 F C 2.466 178.093 175.800 -0.287 0.000 1.113 489 F CA 2.194 59.997 58.000 -0.329 0.000 1.218 489 F CB -0.600 37.889 39.000 -0.852 0.000 0.984 489 F HN -0.050 nan 8.300 nan 0.000 0.472 490 T N 1.721 116.170 114.554 -0.174 0.000 2.624 490 T HA -0.329 4.021 4.350 0.001 0.000 0.268 490 T C 2.017 176.536 174.700 -0.302 0.000 1.041 490 T CA 2.385 64.336 62.100 -0.248 0.000 1.159 490 T CB -0.512 68.346 68.868 -0.018 0.000 0.863 490 T HN 0.329 nan 8.240 nan 0.000 0.434 491 M N 0.189 119.671 119.600 -0.197 0.000 2.080 491 M HA -0.101 4.379 4.480 0.001 0.000 0.260 491 M C 2.575 178.687 176.300 -0.314 0.000 1.068 491 M CA 1.337 56.522 55.300 -0.191 0.000 1.109 491 M CB -0.612 31.901 32.600 -0.144 0.000 1.342 491 M HN 0.087 nan 8.290 nan 0.000 0.405 492 V N -0.078 119.594 119.914 -0.403 0.000 2.594 492 V HA -0.197 3.924 4.120 0.001 0.000 0.253 492 V C 2.109 177.797 176.094 -0.676 0.000 1.069 492 V CA 1.278 63.234 62.300 -0.572 0.000 1.082 492 V CB -0.063 31.466 31.823 -0.490 0.000 0.680 492 V HN 0.254 nan 8.190 nan 0.000 0.469 493 V N 1.027 120.573 119.914 -0.614 0.000 2.221 493 V HA -0.251 3.869 4.120 0.001 0.000 0.240 493 V C 2.312 178.252 176.094 -0.257 0.000 1.041 493 V CA 2.479 64.493 62.300 -0.475 0.000 0.991 493 V CB -0.658 30.805 31.823 -0.600 0.000 0.634 493 V HN 0.629 nan 8.190 nan 0.000 0.450 494 I N 0.046 120.492 120.570 -0.207 0.000 2.300 494 I HA -0.246 3.924 4.170 0.001 0.000 0.252 494 I C 2.405 178.560 176.117 0.064 0.000 1.119 494 I CA 2.008 63.271 61.300 -0.061 0.000 1.384 494 I CB -1.068 36.907 38.000 -0.042 0.000 1.062 494 I HN 0.246 nan 8.210 nan 0.000 0.426 495 A N 2.359 125.177 122.820 -0.002 0.000 1.852 495 A HA -0.225 4.095 4.320 0.001 0.000 0.217 495 A C 2.008 179.750 177.584 0.264 0.000 1.215 495 A CA 2.304 54.409 52.037 0.114 0.000 0.641 495 A CB -1.332 17.499 19.000 -0.283 0.000 0.838 495 A HN 0.486 nan 8.150 nan 0.000 0.450 496 F N 0.870 120.854 119.950 0.057 0.000 2.171 496 F HA -0.096 4.431 4.527 0.001 0.000 0.300 496 F C 2.788 178.609 175.800 0.035 0.000 1.090 496 F CA 1.260 59.286 58.000 0.043 0.000 1.293 496 F CB -1.687 37.309 39.000 -0.007 0.000 1.013 496 F HN 0.200 nan 8.300 nan 0.000 0.486 497 T N -0.180 114.492 114.554 0.196 0.000 2.595 497 T HA -0.209 4.141 4.350 0.001 0.000 0.264 497 T C 2.239 176.997 174.700 0.096 0.000 1.058 497 T CA 2.126 64.287 62.100 0.102 0.000 1.166 497 T CB -0.826 68.062 68.868 0.034 0.000 0.863 497 T HN 0.384 nan 8.240 nan 0.000 0.415 498 S N 1.191 116.957 115.700 0.110 0.000 2.474 498 S HA 0.019 4.489 4.470 0.001 0.000 0.235 498 S C 1.936 176.573 174.600 0.062 0.000 0.997 498 S CA 0.349 58.594 58.200 0.075 0.000 0.949 498 S CB -0.491 62.757 63.200 0.081 0.000 0.766 498 S HN 0.176 nan 8.310 nan 0.000 0.517 499 L N 1.962 123.276 121.223 0.153 0.000 2.131 499 L HA 0.231 4.572 4.340 0.001 0.000 0.206 499 L C 2.044 178.961 176.870 0.078 0.000 1.087 499 L CA 1.489 56.419 54.840 0.150 0.000 0.767 499 L CB -0.659 41.572 42.059 0.286 0.000 0.917 499 L HN 0.347 nan 8.230 nan 0.000 0.441 500 S N -2.383 113.361 115.700 0.073 0.000 2.577 500 S HA 0.045 4.515 4.470 0.001 0.000 0.219 500 S C 1.466 176.079 174.600 0.021 0.000 0.962 500 S CA 0.589 58.810 58.200 0.034 0.000 0.921 500 S CB -0.165 63.051 63.200 0.026 0.000 0.789 500 S HN 0.628 nan 8.310 nan 0.000 0.497 501 T N -0.735 113.832 114.554 0.022 0.000 2.999 501 T HA 0.080 4.431 4.350 0.001 0.000 0.247 501 T C 1.043 175.741 174.700 -0.003 0.000 1.012 501 T CA 0.251 62.357 62.100 0.010 0.000 1.048 501 T CB -0.456 68.420 68.868 0.014 0.000 1.020 501 T HN 0.315 nan 8.240 nan 0.000 0.478 502 S N 2.008 117.700 115.700 -0.014 0.000 2.611 502 S HA 0.139 4.609 4.470 0.001 0.000 0.317 502 S C 1.084 175.669 174.600 -0.025 0.000 1.208 502 S CA -0.611 57.569 58.200 -0.034 0.000 1.217 502 S CB -0.658 62.500 63.200 -0.071 0.000 1.085 502 S HN 0.241 nan 8.310 nan 0.000 0.529 503 I N 3.095 123.653 120.570 -0.020 0.000 2.091 503 I HA -0.187 3.983 4.170 0.001 0.000 0.239 503 I C 1.602 177.707 176.117 -0.020 0.000 1.061 503 I CA 1.628 62.919 61.300 -0.016 0.000 1.317 503 I CB -0.802 37.190 38.000 -0.014 0.000 1.031 503 I HN 0.878 nan 8.210 nan 0.000 0.401 504 N N -0.412 118.271 118.700 -0.027 0.000 2.514 504 N HA 0.048 4.789 4.740 0.001 0.000 0.299 504 N C 0.747 176.231 175.510 -0.043 0.000 1.292 504 N CA -0.229 52.802 53.050 -0.030 0.000 0.963 504 N CB -0.274 38.195 38.487 -0.030 0.000 1.124 504 N HN 0.124 nan 8.380 nan 0.000 0.580 505 D N -0.957 119.416 120.400 -0.046 0.000 2.049 505 D HA -0.071 4.569 4.640 0.001 0.000 0.240 505 D C -0.685 175.555 176.300 -0.101 0.000 0.979 505 D CA 0.939 54.901 54.000 -0.063 0.000 0.915 505 D CB -0.540 40.231 40.800 -0.048 0.000 1.050 505 D HN 0.510 nan 8.370 nan 0.000 0.444 506 D N 1.051 121.392 120.400 -0.098 0.000 2.383 506 D HA 0.075 4.715 4.640 0.001 0.000 0.252 506 D C -0.591 175.641 176.300 -0.113 0.000 1.166 506 D CA 0.004 53.927 54.000 -0.128 0.000 0.879 506 D CB 0.733 41.472 40.800 -0.101 0.000 1.164 506 D HN 0.256 nan 8.370 nan 0.000 0.462 507 D N 2.836 123.154 120.400 -0.137 0.000 2.586 507 D HA -0.066 4.574 4.640 0.001 0.000 0.234 507 D C -1.176 175.067 176.300 -0.094 0.000 1.132 507 D CA -0.905 53.034 54.000 -0.102 0.000 0.860 507 D CB 0.971 41.707 40.800 -0.106 0.000 1.159 507 D HN 0.113 nan 8.370 nan 0.000 0.490 508 P HA -0.174 nan 4.420 nan 0.000 0.218 508 P C 0.804 178.058 177.300 -0.077 0.000 1.149 508 P CA 1.114 64.175 63.100 -0.064 0.000 0.817 508 P CB 0.169 31.842 31.700 -0.046 0.000 0.785 509 K N 0.286 120.633 120.400 -0.089 0.000 2.551 509 K HA 0.129 4.450 4.320 0.001 0.000 0.192 509 K C 1.043 177.538 176.600 -0.175 0.000 1.027 509 K CA -0.223 55.992 56.287 -0.120 0.000 1.059 509 K CB -0.440 31.987 32.500 -0.120 0.000 0.831 509 K HN 0.067 nan 8.250 nan 0.000 0.508 510 G N 0.917 109.624 108.800 -0.154 0.000 2.594 510 G HA2 0.043 4.004 3.960 0.001 0.000 0.243 510 G HA3 0.043 4.004 3.960 0.001 0.000 0.243 510 G C -0.314 174.501 174.900 -0.141 0.000 1.229 510 G CA -0.615 44.383 45.100 -0.171 0.000 0.843 510 G HN 0.186 nan 8.290 nan 0.000 0.578 511 I N 1.104 121.595 120.570 -0.131 0.000 2.496 511 I HA 0.116 4.286 4.170 0.001 0.000 0.285 511 I C 0.614 176.689 176.117 -0.069 0.000 1.080 511 I CA -0.094 61.147 61.300 -0.098 0.000 1.404 511 I CB 0.652 38.603 38.000 -0.081 0.000 1.403 511 I HN 0.315 nan 8.210 nan 0.000 0.539 512 S N 6.658 122.315 115.700 -0.072 0.000 2.593 512 S HA -0.002 4.468 4.470 0.001 0.000 0.300 512 S C 0.520 175.094 174.600 -0.042 0.000 1.267 512 S CA -0.407 57.757 58.200 -0.060 0.000 1.065 512 S CB 0.027 63.186 63.200 -0.069 0.000 0.807 512 S HN 0.610 nan 8.310 nan 0.000 0.499 513 V N 2.750 122.646 119.914 -0.029 0.000 2.954 513 V HA -0.026 4.094 4.120 0.001 0.000 0.254 513 V C 0.921 177.005 176.094 -0.016 0.000 0.947 513 V CA 0.087 62.381 62.300 -0.009 0.000 1.154 513 V CB -2.280 29.535 31.823 -0.013 0.000 0.870 513 V HN 0.890 nan 8.190 nan 0.000 0.470 514 T N 3.084 117.644 114.554 0.011 0.000 2.918 514 T HA 0.568 4.919 4.350 0.001 0.000 0.302 514 T C 0.315 175.010 174.700 -0.008 0.000 1.045 514 T CA 0.140 62.229 62.100 -0.019 0.000 1.114 514 T CB 1.293 70.214 68.868 0.088 0.000 0.965 514 T HN 0.891 nan 8.240 nan 0.000 0.540 515 S N 1.318 116.940 115.700 -0.129 0.000 2.841 515 S HA 0.488 4.959 4.470 0.001 0.000 0.318 515 S C 0.118 174.632 174.600 -0.143 0.000 1.127 515 S CA -1.138 57.015 58.200 -0.079 0.000 0.883 515 S CB 1.277 64.424 63.200 -0.088 0.000 1.271 515 S HN 0.765 nan 8.310 nan 0.000 0.567 516 S N 2.612 118.290 115.700 -0.038 0.000 3.944 516 S HA 0.052 4.523 4.470 0.001 0.000 0.215 516 S C 0.926 175.438 174.600 -0.145 0.000 1.220 516 S CA -0.090 58.105 58.200 -0.008 0.000 0.950 516 S CB -1.104 62.121 63.200 0.043 0.000 1.615 516 S HN 0.647 nan 8.310 nan 0.000 0.466 517 M N -1.418 117.943 119.600 -0.398 0.000 2.306 517 M HA 0.335 4.816 4.480 0.001 0.000 0.292 517 M C 0.188 176.237 176.300 -0.419 0.000 1.018 517 M CA 0.356 55.418 55.300 -0.397 0.000 1.007 517 M CB -0.306 32.025 32.600 -0.447 0.000 1.510 517 M HN 0.339 nan 8.290 nan 0.000 0.537 518 F N 2.663 122.553 119.950 -0.100 0.000 2.234 518 F HA 0.046 4.574 4.527 0.001 0.000 0.296 518 F C 1.493 177.154 175.800 -0.231 0.000 1.089 518 F CA 0.269 58.147 58.000 -0.204 0.000 1.343 518 F CB -0.656 38.173 39.000 -0.284 0.000 1.040 518 F HN 0.038 nan 8.300 nan 0.000 0.498 519 V N 0.950 120.879 119.914 0.025 0.000 3.417 519 V HA -0.247 3.874 4.120 0.001 0.000 0.269 519 V C 0.160 176.199 176.094 -0.092 0.000 1.071 519 V CA 0.404 62.688 62.300 -0.026 0.000 1.170 519 V CB -2.064 29.741 31.823 -0.030 0.000 0.707 519 V HN 0.352 nan 8.190 nan 0.000 0.388 520 T N 3.379 117.861 114.554 -0.120 0.000 2.936 520 T HA 0.502 4.853 4.350 0.001 0.000 0.282 520 T C -0.174 174.475 174.700 -0.085 0.000 1.003 520 T CA -0.147 61.828 62.100 -0.207 0.000 1.005 520 T CB 1.285 69.879 68.868 -0.457 0.000 1.097 520 T HN 1.045 nan 8.240 nan 0.000 0.532 521 D N 1.663 122.017 120.400 -0.076 0.000 2.283 521 D HA 0.192 4.833 4.640 0.001 0.000 0.248 521 D C -0.062 176.261 176.300 0.038 0.000 1.072 521 D CA -0.728 53.265 54.000 -0.012 0.000 0.929 521 D CB 0.604 41.390 40.800 -0.025 0.000 1.182 521 D HN 0.297 nan 8.370 nan 0.000 0.433 522 R N 0.694 121.206 120.500 0.021 0.000 2.853 522 R HA 0.232 4.573 4.340 0.001 0.000 0.238 522 R C 0.151 176.458 176.300 0.011 0.000 1.538 522 R CA 0.398 56.507 56.100 0.015 0.000 1.166 522 R CB -1.175 29.138 30.300 0.022 0.000 1.201 522 R HN 0.556 nan 8.270 nan 0.000 0.606 523 S N 2.194 117.895 115.700 0.003 0.000 6.547 523 S HA -0.151 4.320 4.470 0.001 0.000 0.076 523 S C 0.795 175.379 174.600 -0.027 0.000 1.283 523 S CA 0.108 58.307 58.200 -0.002 0.000 1.275 523 S CB -1.408 61.802 63.200 0.017 0.000 1.550 523 S HN 0.396 nan 8.310 nan 0.000 0.510 524 F N 3.311 123.176 119.950 -0.142 0.000 2.069 524 F HA 0.055 4.583 4.527 0.001 0.000 0.298 524 F C 1.739 177.429 175.800 -0.184 0.000 1.113 524 F CA 2.662 60.570 58.000 -0.154 0.000 1.214 524 F CB -0.751 38.167 39.000 -0.136 0.000 0.978 524 F HN 0.460 nan 8.300 nan 0.000 0.474 525 N N 0.670 119.398 118.700 0.048 0.000 2.007 525 N HA -0.295 4.445 4.740 0.001 0.000 0.197 525 N C 2.084 177.174 175.510 -0.700 0.000 1.050 525 N CA 1.859 54.746 53.050 -0.272 0.000 0.856 525 N CB -0.414 37.973 38.487 -0.166 0.000 1.050 525 N HN 0.406 nan 8.380 nan 0.000 0.423 526 I N 0.836 121.140 120.570 -0.443 0.000 2.248 526 I HA -0.308 3.862 4.170 0.001 0.000 0.248 526 I C 2.164 178.136 176.117 -0.241 0.000 1.107 526 I CA 1.116 62.215 61.300 -0.334 0.000 1.373 526 I CB -0.082 37.866 38.000 -0.087 0.000 1.055 526 I HN 0.180 nan 8.210 nan 0.000 0.418 527 A N 0.560 123.241 122.820 -0.232 0.000 1.877 527 A HA -0.167 4.153 4.320 0.001 0.000 0.216 527 A C 2.516 179.983 177.584 -0.196 0.000 1.186 527 A CA 1.704 53.644 52.037 -0.161 0.000 0.620 527 A CB -1.174 17.721 19.000 -0.174 0.000 0.822 527 A HN 0.546 nan 8.150 nan 0.000 0.443 528 A N -0.894 121.682 122.820 -0.406 0.000 1.927 528 A HA -0.215 4.105 4.320 0.001 0.000 0.220 528 A C 2.124 179.687 177.584 -0.035 0.000 1.185 528 A CA 1.767 53.605 52.037 -0.331 0.000 0.639 528 A CB -1.032 17.668 19.000 -0.500 0.000 0.820 528 A HN 0.722 nan 8.150 nan 0.000 0.451 529 Y N -0.667 119.596 120.300 -0.061 0.000 2.089 529 Y HA -0.148 4.402 4.550 0.001 0.000 0.282 529 Y C 2.974 178.870 175.900 -0.007 0.000 1.139 529 Y CA 0.221 58.310 58.100 -0.018 0.000 1.123 529 Y CB -0.888 37.571 38.460 -0.003 0.000 0.980 529 Y HN 0.404 nan 8.280 nan 0.000 0.493 530 G N 0.823 109.727 108.800 0.173 0.000 2.513 530 G HA2 -0.311 3.649 3.960 0.001 0.000 0.219 530 G HA3 -0.311 3.649 3.960 0.001 0.000 0.219 530 G C 1.565 176.517 174.900 0.086 0.000 1.160 530 G CA 1.591 46.759 45.100 0.113 0.000 0.767 530 G HN 0.383 nan 8.290 nan 0.000 0.571 531 I N 0.254 120.869 120.570 0.075 0.000 2.091 531 I HA -0.274 3.896 4.170 0.001 0.000 0.239 531 I C 3.036 179.174 176.117 0.035 0.000 1.061 531 I CA 1.627 62.955 61.300 0.047 0.000 1.317 531 I CB -0.226 37.792 38.000 0.030 0.000 1.031 531 I HN 0.222 nan 8.210 nan 0.000 0.401 532 M N 0.046 119.685 119.600 0.064 0.000 2.065 532 M HA -0.247 4.233 4.480 0.001 0.000 0.259 532 M C 2.373 178.700 176.300 0.045 0.000 1.069 532 M CA 2.045 57.385 55.300 0.066 0.000 1.110 532 M CB -0.493 32.162 32.600 0.093 0.000 1.328 532 M HN 0.170 nan 8.290 nan 0.000 0.405 533 I N -0.447 120.150 120.570 0.046 0.000 2.194 533 I HA -0.309 3.861 4.170 0.001 0.000 0.246 533 I C 2.319 178.440 176.117 0.006 0.000 1.093 533 I CA 1.217 62.532 61.300 0.024 0.000 1.355 533 I CB -0.412 37.608 38.000 0.032 0.000 1.046 533 I HN 0.101 nan 8.210 nan 0.000 0.413 534 V N 0.780 120.692 119.914 -0.003 0.000 2.427 534 V HA -0.251 3.870 4.120 0.001 0.000 0.248 534 V C 2.244 178.284 176.094 -0.090 0.000 1.051 534 V CA 1.598 63.868 62.300 -0.049 0.000 1.048 534 V CB -0.278 31.507 31.823 -0.062 0.000 0.666 534 V HN 0.342 nan 8.190 nan 0.000 0.456 535 L N -0.504 120.687 121.223 -0.054 0.000 2.007 535 L HA -0.046 4.294 4.340 0.001 0.000 0.205 535 L C 2.814 179.755 176.870 0.119 0.000 1.073 535 L CA 1.373 56.213 54.840 -0.000 0.000 0.744 535 L CB -1.068 41.040 42.059 0.081 0.000 0.898 535 L HN 0.330 nan 8.230 nan 0.000 0.435 536 A N 0.165 123.041 122.820 0.093 0.000 1.893 536 A HA -0.334 3.986 4.320 0.001 0.000 0.222 536 A C 2.421 180.052 177.584 0.077 0.000 1.309 536 A CA 2.757 54.844 52.037 0.083 0.000 0.681 536 A CB -1.418 17.602 19.000 0.032 0.000 0.842 536 A HN 0.258 nan 8.150 nan 0.000 0.468 537 V N 0.426 120.351 119.914 0.019 0.000 2.282 537 V HA -0.270 3.850 4.120 0.001 0.000 0.249 537 V C 2.540 178.601 176.094 -0.055 0.000 1.057 537 V CA 2.784 65.074 62.300 -0.016 0.000 1.032 537 V CB -0.705 31.094 31.823 -0.040 0.000 0.645 537 V HN 0.785 nan 8.190 nan 0.000 0.447 538 L N -1.111 120.047 121.223 -0.109 0.000 2.093 538 L HA -0.053 4.287 4.340 0.001 0.000 0.208 538 L C 2.283 179.034 176.870 -0.199 0.000 1.085 538 L CA 2.048 56.719 54.840 -0.283 0.000 0.755 538 L CB -1.756 40.092 42.059 -0.352 0.000 0.904 538 L HN 0.337 nan 8.230 nan 0.000 0.435 539 Y N 1.187 121.506 120.300 0.032 0.000 2.224 539 Y HA -0.164 4.386 4.550 0.001 0.000 0.289 539 Y C 2.641 178.660 175.900 0.198 0.000 1.146 539 Y CA 2.118 60.329 58.100 0.185 0.000 1.182 539 Y CB -0.822 37.721 38.460 0.137 0.000 0.983 539 Y HN 0.260 nan 8.280 nan 0.000 0.524 540 T N 0.412 115.115 114.554 0.249 0.000 2.737 540 T HA -0.212 4.138 4.350 0.001 0.000 0.265 540 T C 2.009 176.840 174.700 0.219 0.000 1.038 540 T CA 1.331 63.565 62.100 0.223 0.000 1.144 540 T CB -0.785 68.150 68.868 0.111 0.000 0.866 540 T HN 0.255 nan 8.240 nan 0.000 0.434 541 L N 0.254 121.482 121.223 0.008 0.000 2.064 541 L HA -0.181 4.160 4.340 0.001 0.000 0.216 541 L C 1.921 178.738 176.870 -0.088 0.000 1.077 541 L CA 1.944 56.696 54.840 -0.147 0.000 0.766 541 L CB -0.511 41.286 42.059 -0.437 0.000 0.890 541 L HN 0.145 nan 8.230 nan 0.000 0.435 542 F N -1.832 118.244 119.950 0.210 0.000 2.074 542 F HA -0.097 4.431 4.527 0.001 0.000 0.290 542 F C 2.228 178.261 175.800 0.389 0.000 1.118 542 F CA 1.272 59.441 58.000 0.281 0.000 1.199 542 F CB -1.626 37.540 39.000 0.277 0.000 1.012 542 F HN 0.214 nan 8.300 nan 0.000 0.472 543 W N 0.671 122.235 121.300 0.441 0.000 2.274 543 W HA -0.293 4.367 4.660 0.001 0.000 0.314 543 W C 2.277 178.951 176.519 0.258 0.000 1.254 543 W CA 2.156 59.707 57.345 0.344 0.000 1.265 543 W CB -0.514 29.089 29.460 0.239 0.000 1.141 543 W HN -0.118 nan 8.180 nan 0.000 0.505 544 V N 1.584 121.753 119.914 0.425 0.000 3.141 544 V HA -0.189 3.932 4.120 0.001 0.000 0.265 544 V C 1.865 177.883 176.094 -0.127 0.000 1.126 544 V CA 1.652 64.034 62.300 0.136 0.000 1.141 544 V CB -0.465 31.538 31.823 0.299 0.000 0.743 544 V HN 0.292 nan 8.190 nan 0.000 0.492 545 L N -1.017 120.117 121.223 -0.147 0.000 2.313 545 L HA 0.041 4.382 4.340 0.001 0.000 0.214 545 L C 0.413 176.888 176.870 -0.658 0.000 1.119 545 L CA 0.830 55.419 54.840 -0.417 0.000 0.809 545 L CB -0.275 41.456 42.059 -0.546 0.000 0.933 545 L HN 0.387 nan 8.230 nan 0.000 0.449 546 Y N 0.562 120.698 120.300 -0.274 0.000 2.638 546 Y HA 0.622 5.172 4.550 0.001 0.000 0.367 546 Y C 0.445 175.970 175.900 -0.626 0.000 1.001 546 Y CA -0.322 57.580 58.100 -0.331 0.000 1.133 546 Y CB 0.052 38.383 38.460 -0.215 0.000 1.199 546 Y HN 0.022 nan 8.280 nan 0.000 0.642 547 K N 0.000 120.101 120.400 -0.499 0.000 2.780 547 K HA 0.000 4.320 4.320 0.001 0.000 0.191 547 K CA 0.000 55.957 56.287 -0.550 0.000 0.838 547 K CB 0.000 31.924 32.500 -0.960 0.000 1.064 547 K HN 0.000 nan 8.250 nan 0.000 0.543