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 2hry_1_A DATA FIRST_RESID 2 DATA SEQUENCE KLRYLNILKE KLGREPTFVE LQAFSVMWSE HCGYSHTKKY IRRLPKTXXX DATA SEQUENCE XXXGVVNLDD YYSVAFKIES ANHPSAIEPY NGAATGVGGI IRDVLAMGAR DATA SEQUENCE PTAIFDSLHM SRIIDGIIEG IADYGNSIGV PTVGGELRIS SLYAHNPLVN DATA SEQUENCE VLAAGVVRND MLVDSKASRP GQVIVIFGGA TGRDGIXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXVGD PFAEKMLIEA FLEMVEEGLV EGAQDLGAGG VLSATSELVA DATA SEQUENCE KGNLGAIVHL DRVPLREPDM EPWEILISES QERMAVVTSP QKASRILEIA DATA SEQUENCE RKHLLFGDVV AEVIEEPVYR VMYRNDLVME VPVQLLANAP EEDIVEYTPG DATA SEQUENCE KIPEFKRVEF EEVNAREVFE QYDHMVGTDT VVPPGFGAAV MRIKRDGGYS DATA SEQUENCE LVTHSRADLA LQDTYWGTLI AVLESVRKTL SVGAEPLAIT NCVNYGDPDV DATA SEQUENCE DPVGLSAMMT ALKNACEFSG VPVASGNASL YNTYQGKPIP PTLVVGMLGK DATA SEQUENCE VNPQKVAKPK PSKVFAVGWN DFELEREKEL WRAIRKLSEE GAFILSSSQL DATA SEQUENCE LTRTHVETFR EYGLKIEVKL PEVRPAHQMV LVFSERTPVV DVPVKEIGTL DATA SEQUENCE SR 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.595 176.600 -0.008 0.000 0.988 2 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 2 K CB 0.000 32.554 32.500 0.090 0.000 1.064 3 L N 1.145 122.313 121.223 -0.091 0.000 1.988 3 L HA -0.013 4.327 4.340 0.000 0.000 0.207 3 L C 2.478 179.337 176.870 -0.019 0.000 1.071 3 L CA 1.650 56.466 54.840 -0.041 0.000 0.744 3 L CB -0.225 41.801 42.059 -0.054 0.000 0.893 3 L HN 0.157 nan 8.230 nan 0.000 0.433 4 R N -1.058 119.389 120.500 -0.087 0.000 2.091 4 R HA -0.228 4.112 4.340 0.000 0.000 0.238 4 R C 2.282 178.683 176.300 0.169 0.000 1.136 4 R CA 2.096 58.190 56.100 -0.010 0.000 0.959 4 R CB -0.578 29.675 30.300 -0.078 0.000 0.856 4 R HN 0.467 nan 8.270 nan 0.000 0.437 5 Y N 0.207 120.561 120.300 0.091 0.000 2.070 5 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 5 Y C 2.455 178.476 175.900 0.202 0.000 1.148 5 Y CA 0.572 58.789 58.100 0.195 0.000 1.125 5 Y CB -0.363 38.267 38.460 0.283 0.000 0.975 5 Y HN 0.168 nan 8.280 nan 0.000 0.492 6 L N 1.185 122.576 121.223 0.280 0.000 2.021 6 L HA -0.309 4.031 4.340 0.000 0.000 0.215 6 L C 1.836 178.753 176.870 0.079 0.000 1.074 6 L CA 1.841 56.752 54.840 0.118 0.000 0.760 6 L CB -0.906 41.190 42.059 0.062 0.000 0.889 6 L HN 0.178 nan 8.230 nan 0.000 0.433 7 N N 0.175 118.929 118.700 0.090 0.000 2.013 7 N HA -0.229 4.511 4.740 0.000 0.000 0.195 7 N C 2.004 177.558 175.510 0.074 0.000 1.051 7 N CA 2.267 55.352 53.050 0.059 0.000 0.851 7 N CB -0.528 37.990 38.487 0.052 0.000 1.044 7 N HN 0.449 nan 8.380 nan 0.000 0.422 8 I N 1.034 121.684 120.570 0.133 0.000 2.113 8 I HA -0.295 3.875 4.170 0.000 0.000 0.242 8 I C 2.398 178.607 176.117 0.154 0.000 1.064 8 I CA 0.999 62.386 61.300 0.146 0.000 1.320 8 I CB -0.330 37.777 38.000 0.180 0.000 1.028 8 I HN 0.088 nan 8.210 nan 0.000 0.406 9 L N 0.914 122.253 121.223 0.194 0.000 2.079 9 L HA -0.237 4.103 4.340 0.000 0.000 0.210 9 L C 2.370 179.134 176.870 -0.177 0.000 1.081 9 L CA 1.913 56.667 54.840 -0.143 0.000 0.752 9 L CB -0.640 41.112 42.059 -0.511 0.000 0.896 9 L HN 0.110 nan 8.230 nan 0.000 0.433 10 K N -0.550 119.802 120.400 -0.081 0.000 2.025 10 K HA -0.206 4.114 4.320 0.000 0.000 0.207 10 K C 1.959 178.537 176.600 -0.036 0.000 1.049 10 K CA 1.403 57.651 56.287 -0.066 0.000 0.933 10 K CB -0.165 32.315 32.500 -0.033 0.000 0.714 10 K HN 0.463 nan 8.250 nan 0.000 0.438 11 E N 1.708 121.904 120.200 -0.007 0.000 2.110 11 E HA -0.189 4.161 4.350 0.000 0.000 0.193 11 E C 1.636 178.237 176.600 0.001 0.000 0.988 11 E CA 1.569 57.970 56.400 0.003 0.000 0.804 11 E CB 0.007 29.717 29.700 0.017 0.000 0.745 11 E HN -0.045 nan 8.360 nan 0.000 0.458 12 K N 0.223 120.624 120.400 0.002 0.000 2.155 12 K HA 0.042 4.362 4.320 0.000 0.000 0.203 12 K C 2.136 178.724 176.600 -0.020 0.000 1.052 12 K CA 0.934 57.225 56.287 0.007 0.000 0.948 12 K CB -0.223 32.302 32.500 0.042 0.000 0.728 12 K HN 0.319 nan 8.250 nan 0.000 0.448 13 L N -0.330 120.856 121.223 -0.061 0.000 2.418 13 L HA 0.022 4.362 4.340 0.000 0.000 0.218 13 L C 1.311 178.165 176.870 -0.026 0.000 1.125 13 L CA 0.693 55.498 54.840 -0.058 0.000 0.835 13 L CB -0.470 41.528 42.059 -0.102 0.000 0.953 13 L HN 0.358 nan 8.230 nan 0.000 0.454 14 G N 1.275 110.063 108.800 -0.020 0.000 2.175 14 G HA2 -0.348 3.612 3.960 0.000 0.000 0.265 14 G HA3 -0.348 3.612 3.960 0.000 0.000 0.265 14 G C 0.387 175.280 174.900 -0.011 0.000 0.979 14 G CA 1.100 46.194 45.100 -0.009 0.000 0.663 14 G HN 0.546 nan 8.290 nan 0.000 0.533 15 R N -1.981 118.506 120.500 -0.020 0.000 3.014 15 R HA 0.787 5.127 4.340 0.000 0.000 0.262 15 R C -1.047 175.236 176.300 -0.028 0.000 1.066 15 R CA -0.784 55.305 56.100 -0.018 0.000 0.939 15 R CB 0.286 30.580 30.300 -0.011 0.000 1.372 15 R HN 0.044 nan 8.270 nan 0.000 0.431 16 E N 1.222 121.409 120.200 -0.022 0.000 2.167 16 E HA 0.430 4.780 4.350 0.000 0.000 0.284 16 E C -2.241 174.340 176.600 -0.031 0.000 1.016 16 E CA -2.299 54.085 56.400 -0.026 0.000 0.817 16 E CB 1.158 30.849 29.700 -0.015 0.000 1.080 16 E HN 0.390 nan 8.360 nan 0.000 0.397 17 P HA -0.055 nan 4.420 nan 0.000 0.264 17 P C -0.619 176.669 177.300 -0.021 0.000 1.179 17 P CA 0.194 63.258 63.100 -0.059 0.000 0.763 17 P CB 0.433 32.074 31.700 -0.099 0.000 0.806 18 T N -0.289 114.264 114.554 -0.001 0.000 2.847 18 T HA 0.211 4.561 4.350 0.000 0.000 0.279 18 T C 0.858 175.578 174.700 0.033 0.000 0.984 18 T CA -0.422 61.699 62.100 0.035 0.000 0.988 18 T CB 0.231 69.132 68.868 0.055 0.000 1.040 18 T HN 0.199 nan 8.240 nan 0.000 0.528 19 F N 1.303 121.205 119.950 -0.081 0.000 2.025 19 F HA -0.136 4.391 4.527 0.000 0.000 0.297 19 F C 2.325 178.046 175.800 -0.133 0.000 1.132 19 F CA 1.883 59.793 58.000 -0.151 0.000 1.191 19 F CB -1.019 37.847 39.000 -0.223 0.000 0.963 19 F HN 0.361 nan 8.300 nan 0.000 0.481 20 V N 0.273 120.143 119.914 -0.074 0.000 2.380 20 V HA -0.355 3.765 4.120 0.000 0.000 0.251 20 V C 2.337 178.386 176.094 -0.075 0.000 1.063 20 V CA 2.356 64.615 62.300 -0.068 0.000 1.055 20 V CB -0.826 31.075 31.823 0.131 0.000 0.657 20 V HN 0.380 nan 8.190 nan 0.000 0.455 21 E N -0.179 120.012 120.200 -0.015 0.000 2.017 21 E HA -0.209 4.141 4.350 0.000 0.000 0.193 21 E C 2.398 179.029 176.600 0.052 0.000 0.997 21 E CA 2.068 58.514 56.400 0.076 0.000 0.804 21 E CB -0.451 29.290 29.700 0.067 0.000 0.757 21 E HN 0.545 nan 8.360 nan 0.000 0.448 22 L N 0.350 121.519 121.223 -0.090 0.000 2.042 22 L HA -0.227 4.113 4.340 0.000 0.000 0.210 22 L C 2.473 179.239 176.870 -0.175 0.000 1.076 22 L CA 2.390 57.154 54.840 -0.126 0.000 0.749 22 L CB -1.584 40.375 42.059 -0.167 0.000 0.893 22 L HN 0.152 nan 8.230 nan 0.000 0.432 23 Q N -0.344 119.247 119.800 -0.348 0.000 2.030 23 Q HA -0.127 4.213 4.340 0.000 0.000 0.204 23 Q C 2.483 178.410 176.000 -0.122 0.000 0.986 23 Q CA 2.413 58.014 55.803 -0.337 0.000 0.843 23 Q CB -0.791 27.628 28.738 -0.532 0.000 0.904 23 Q HN 0.803 nan 8.270 nan 0.000 0.420 24 A N -0.768 121.987 122.820 -0.108 0.000 1.845 24 A HA -0.148 4.172 4.320 0.000 0.000 0.215 24 A C 1.974 179.398 177.584 -0.267 0.000 1.195 24 A CA 1.519 53.459 52.037 -0.162 0.000 0.616 24 A CB -1.091 17.782 19.000 -0.212 0.000 0.832 24 A HN 0.425 nan 8.150 nan 0.000 0.443 25 F N 0.404 120.179 119.950 -0.292 0.000 2.408 25 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 25 F C 2.825 178.491 175.800 -0.223 0.000 1.090 25 F CA 1.222 58.935 58.000 -0.479 0.000 1.427 25 F CB -0.178 38.335 39.000 -0.812 0.000 1.070 25 F HN 0.269 nan 8.300 nan 0.000 0.549 26 S N -0.083 115.625 115.700 0.013 0.000 2.382 26 S HA -0.133 4.337 4.470 0.000 0.000 0.228 26 S C 2.025 176.674 174.600 0.083 0.000 1.027 26 S CA 1.607 59.840 58.200 0.056 0.000 0.991 26 S CB -0.390 62.809 63.200 -0.002 0.000 0.823 26 S HN 0.118 nan 8.310 nan 0.000 0.469 27 V N 1.993 121.927 119.914 0.032 0.000 2.283 27 V HA -0.048 4.072 4.120 0.000 0.000 0.239 27 V C 2.590 178.742 176.094 0.096 0.000 1.035 27 V CA 1.285 63.618 62.300 0.056 0.000 1.018 27 V CB -0.840 30.991 31.823 0.014 0.000 0.658 27 V HN 0.395 nan 8.190 nan 0.000 0.459 28 M N -1.093 118.518 119.600 0.018 0.000 2.195 28 M HA -0.191 4.289 4.480 0.000 0.000 0.260 28 M C 1.943 178.492 176.300 0.414 0.000 1.066 28 M CA 1.794 57.152 55.300 0.097 0.000 1.089 28 M CB -1.193 31.324 32.600 -0.138 0.000 1.377 28 M HN 0.555 nan 8.290 nan 0.000 0.411 29 W N 0.535 121.855 121.300 0.034 0.000 2.996 29 W HA 0.200 4.860 4.660 0.000 0.000 0.270 29 W C 1.226 177.779 176.519 0.056 0.000 1.280 29 W CA -0.425 56.925 57.345 0.008 0.000 1.549 29 W CB -1.026 28.429 29.460 -0.008 0.000 1.079 29 W HN 0.195 nan 8.180 nan 0.000 0.629 30 S N 0.976 116.860 115.700 0.306 0.000 2.558 30 S HA -0.112 4.358 4.470 0.000 0.000 0.291 30 S C 1.279 176.001 174.600 0.203 0.000 1.306 30 S CA 0.205 58.546 58.200 0.234 0.000 1.056 30 S CB 1.318 64.626 63.200 0.180 0.000 0.836 30 S HN 0.170 nan 8.310 nan 0.000 0.504 31 E N 1.634 121.939 120.200 0.176 0.000 2.136 31 E HA -0.299 4.051 4.350 0.000 0.000 0.202 31 E C 1.654 178.242 176.600 -0.021 0.000 1.019 31 E CA 2.335 58.805 56.400 0.117 0.000 0.819 31 E CB -0.678 29.113 29.700 0.151 0.000 0.739 31 E HN 1.005 nan 8.360 nan 0.000 0.458 32 H N -1.606 117.450 119.070 -0.023 0.000 2.387 32 H HA -0.103 4.453 4.556 0.000 0.000 0.299 32 H C 1.515 176.916 175.328 0.121 0.000 1.099 32 H CA 2.179 58.213 56.048 -0.024 0.000 1.315 32 H CB -0.153 29.631 29.762 0.037 0.000 1.380 32 H HN 0.304 nan 8.280 nan 0.000 0.513 33 C N -1.130 118.274 119.300 0.173 0.000 3.019 33 C HA 0.405 4.865 4.460 0.000 0.000 0.295 33 C C 2.678 177.825 174.990 0.262 0.000 1.256 33 C CA 0.251 59.386 59.018 0.195 0.000 1.706 33 C CB 0.001 27.847 27.740 0.177 0.000 2.153 33 C HN 0.779 nan 8.230 nan 0.000 0.618 34 G N -1.273 107.674 108.800 0.245 0.000 2.437 34 G HA2 0.080 4.040 3.960 0.000 0.000 0.212 34 G HA3 0.080 4.040 3.960 0.000 0.000 0.212 34 G C 0.357 175.428 174.900 0.286 0.000 1.174 34 G CA 0.481 45.696 45.100 0.192 0.000 0.811 34 G HN 0.454 nan 8.290 nan 0.000 0.537 35 Y N 0.465 120.786 120.300 0.034 0.000 3.568 35 Y HA -0.231 4.319 4.550 -0.000 0.000 0.220 35 Y C 2.071 177.997 175.900 0.043 0.000 1.319 35 Y CA 0.083 58.209 58.100 0.043 0.000 1.629 35 Y CB -2.338 36.115 38.460 -0.011 0.000 1.515 35 Y HN 0.194 nan 8.280 nan 0.000 0.613 36 S N -1.259 114.531 115.700 0.150 0.000 2.399 36 S HA -0.203 4.267 4.470 0.000 0.000 0.231 36 S C 1.327 175.944 174.600 0.028 0.000 1.022 36 S CA 1.813 60.050 58.200 0.063 0.000 0.983 36 S CB -0.185 63.077 63.200 0.102 0.000 0.803 36 S HN 0.725 nan 8.310 nan 0.000 0.480 37 H N 0.501 119.591 119.070 0.034 0.000 2.525 37 H HA 0.130 4.686 4.556 0.000 0.000 0.275 37 H C 2.359 177.677 175.328 -0.017 0.000 0.984 37 H CA 1.455 57.502 56.048 -0.003 0.000 1.264 37 H CB -0.117 29.664 29.762 0.031 0.000 1.432 37 H HN 0.527 nan 8.280 nan 0.000 0.549 38 T N -2.910 111.751 114.554 0.177 0.000 2.990 38 T HA 0.105 4.455 4.350 0.000 0.000 0.250 38 T C 1.794 176.590 174.700 0.161 0.000 1.041 38 T CA -0.096 62.136 62.100 0.221 0.000 1.010 38 T CB 0.397 69.413 68.868 0.246 0.000 1.003 38 T HN 0.046 nan 8.240 nan 0.000 0.499 39 K N 1.676 122.143 120.400 0.112 0.000 2.034 39 K HA -0.130 4.190 4.320 0.000 0.000 0.214 39 K C 2.250 178.840 176.600 -0.017 0.000 1.051 39 K CA 1.680 57.993 56.287 0.044 0.000 0.931 39 K CB -0.084 32.418 32.500 0.002 0.000 0.715 39 K HN 0.315 nan 8.250 nan 0.000 0.446 40 K N -0.851 119.489 120.400 -0.098 0.000 2.097 40 K HA -0.146 4.174 4.320 0.000 0.000 0.205 40 K C 2.141 178.714 176.600 -0.045 0.000 1.050 40 K CA 1.348 57.562 56.287 -0.122 0.000 0.938 40 K CB -0.167 32.199 32.500 -0.223 0.000 0.718 40 K HN 0.173 nan 8.250 nan 0.000 0.442 41 Y N 0.985 121.283 120.300 -0.003 0.000 2.274 41 Y HA -0.112 4.438 4.550 0.000 0.000 0.290 41 Y C 1.970 177.865 175.900 -0.007 0.000 1.145 41 Y CA 0.578 58.672 58.100 -0.009 0.000 1.203 41 Y CB -0.364 38.083 38.460 -0.021 0.000 0.984 41 Y HN -0.004 nan 8.280 nan 0.000 0.533 42 I N -0.774 119.886 120.570 0.150 0.000 2.406 42 I HA -0.200 3.970 4.170 0.000 0.000 0.249 42 I C 2.267 178.404 176.117 0.034 0.000 1.122 42 I CA 0.872 62.216 61.300 0.073 0.000 1.431 42 I CB -0.304 37.723 38.000 0.044 0.000 1.087 42 I HN -0.003 nan 8.210 nan 0.000 0.424 43 R N 0.719 121.232 120.500 0.022 0.000 2.193 43 R HA -0.093 4.247 4.340 0.000 0.000 0.229 43 R C 2.201 178.512 176.300 0.020 0.000 1.110 43 R CA 0.915 57.017 56.100 0.004 0.000 0.988 43 R CB -0.187 30.106 30.300 -0.012 0.000 0.871 43 R HN 0.413 nan 8.270 nan 0.000 0.458 44 R N 0.043 120.571 120.500 0.046 0.000 2.161 44 R HA 0.100 4.440 4.340 0.000 0.000 0.213 44 R C 0.662 176.990 176.300 0.047 0.000 1.055 44 R CA 0.213 56.345 56.100 0.054 0.000 0.996 44 R CB -0.022 30.332 30.300 0.091 0.000 0.901 44 R HN 0.062 nan 8.270 nan 0.000 0.456 45 L N 2.597 123.845 121.223 0.042 0.000 2.456 45 L HA 0.121 4.461 4.340 0.000 0.000 0.272 45 L C -2.104 174.782 176.870 0.025 0.000 1.189 45 L CA -1.881 52.978 54.840 0.031 0.000 0.846 45 L CB 0.263 42.335 42.059 0.022 0.000 1.111 45 L HN -0.202 nan 8.230 nan 0.000 0.475 46 P HA 0.212 nan 4.420 nan 0.000 0.271 46 P C -1.006 176.307 177.300 0.021 0.000 1.218 46 P CA -0.138 62.980 63.100 0.029 0.000 0.780 46 P CB 0.904 32.628 31.700 0.040 0.000 0.901 47 K N 0.560 120.969 120.400 0.016 0.000 2.054 47 K HA 0.819 5.139 4.320 0.000 0.000 0.248 47 K C -0.503 176.106 176.600 0.015 0.000 1.019 47 K CA -0.728 55.565 56.287 0.010 0.000 0.855 47 K CB 1.483 33.980 32.500 -0.005 0.000 1.473 47 K HN 0.488 nan 8.250 nan 0.000 0.483 56 V N 2.010 121.950 119.914 0.044 0.000 2.304 56 V HA 0.416 4.536 4.120 0.000 0.000 0.278 56 V C 0.295 176.439 176.094 0.084 0.000 1.018 56 V CA -0.769 61.581 62.300 0.082 0.000 0.814 56 V CB 1.468 33.315 31.823 0.039 0.000 1.021 56 V HN 0.416 nan 8.190 nan 0.000 0.440 57 V N 4.748 124.736 119.914 0.123 0.000 2.432 57 V HA 0.272 4.392 4.120 0.000 0.000 0.275 57 V C 0.647 176.750 176.094 0.014 0.000 1.043 57 V CA -0.407 61.935 62.300 0.070 0.000 0.925 57 V CB 1.616 33.483 31.823 0.073 0.000 0.985 57 V HN 0.944 nan 8.190 nan 0.000 0.466 58 N N 3.374 122.082 118.700 0.013 0.000 2.297 58 N HA 0.111 4.851 4.740 0.000 0.000 0.232 58 N C 0.239 175.751 175.510 0.004 0.000 1.311 58 N CA 0.338 53.393 53.050 0.008 0.000 0.897 58 N CB 0.778 39.271 38.487 0.010 0.000 1.137 58 N HN 0.558 nan 8.380 nan 0.000 0.449 59 L N -0.299 120.940 121.223 0.028 0.000 2.860 59 L HA 0.377 4.717 4.340 0.000 0.000 0.251 59 L C -0.656 176.258 176.870 0.073 0.000 1.041 59 L CA 0.525 55.389 54.840 0.040 0.000 0.985 59 L CB 0.112 42.196 42.059 0.042 0.000 1.656 59 L HN 0.801 nan 8.230 nan 0.000 0.526 60 D N -2.958 117.500 120.400 0.098 0.000 2.783 60 D HA 0.127 4.767 4.640 0.000 0.000 0.306 60 D C -0.103 176.253 176.300 0.093 0.000 1.633 60 D CA 0.271 54.334 54.000 0.104 0.000 0.796 60 D CB -0.299 40.595 40.800 0.157 0.000 1.230 60 D HN 0.169 nan 8.370 nan 0.000 0.441 61 D N -0.774 119.664 120.400 0.063 0.000 2.978 61 D HA -0.285 4.355 4.640 0.000 0.000 0.205 61 D C 0.010 176.352 176.300 0.069 0.000 1.093 61 D CA 1.260 55.289 54.000 0.049 0.000 1.006 61 D CB -1.065 39.763 40.800 0.047 0.000 1.116 61 D HN 0.484 nan 8.370 nan 0.000 0.419 62 Y N -1.246 118.985 120.300 -0.115 0.000 2.619 62 Y HA 0.192 4.742 4.550 0.000 0.000 0.273 62 Y C -0.364 175.282 175.900 -0.423 0.000 1.175 62 Y CA 0.231 58.159 58.100 -0.286 0.000 1.157 62 Y CB 0.789 39.025 38.460 -0.374 0.000 1.329 62 Y HN -0.120 nan 8.280 nan 0.000 0.503 63 Y N 0.211 120.523 120.300 0.019 0.000 2.485 63 Y HA 0.663 5.213 4.550 -0.000 0.000 0.345 63 Y C -0.145 175.721 175.900 -0.057 0.000 0.998 63 Y CA -1.311 56.757 58.100 -0.053 0.000 1.059 63 Y CB 2.270 40.748 38.460 0.029 0.000 1.234 63 Y HN -0.267 nan 8.280 nan 0.000 0.461 64 S N 1.048 116.810 115.700 0.103 0.000 2.548 64 S HA 0.645 5.115 4.470 0.000 0.000 0.286 64 S C -1.311 173.264 174.600 -0.042 0.000 1.098 64 S CA -0.778 57.431 58.200 0.014 0.000 0.930 64 S CB 1.933 65.135 63.200 0.004 0.000 1.070 64 S HN 0.300 nan 8.310 nan 0.000 0.480 65 V N 2.445 122.286 119.914 -0.121 0.000 2.370 65 V HA 0.667 4.787 4.120 0.000 0.000 0.283 65 V C 0.120 176.205 176.094 -0.015 0.000 1.023 65 V CA -0.567 61.601 62.300 -0.220 0.000 0.857 65 V CB 1.153 32.628 31.823 -0.579 0.000 0.985 65 V HN 0.998 nan 8.190 nan 0.000 0.443 66 A N 6.845 129.689 122.820 0.041 0.000 2.260 66 A HA 0.880 5.200 4.320 0.000 0.000 0.308 66 A C -0.755 176.968 177.584 0.232 0.000 1.254 66 A CA -0.262 51.854 52.037 0.131 0.000 0.874 66 A CB 0.116 19.153 19.000 0.062 0.000 1.153 66 A HN 1.012 nan 8.150 nan 0.000 0.527 67 F N 0.632 120.550 119.950 -0.053 0.000 2.654 67 F HA 0.874 5.401 4.527 0.000 0.000 0.308 67 F C -0.955 174.826 175.800 -0.032 0.000 1.108 67 F CA -1.488 56.491 58.000 -0.035 0.000 0.957 67 F CB 1.347 40.317 39.000 -0.049 0.000 1.309 67 F HN 0.631 nan 8.300 nan 0.000 0.446 68 K N 2.713 122.975 120.400 -0.230 0.000 2.597 68 K HA 0.645 4.965 4.320 0.000 0.000 0.282 68 K C -2.440 174.089 176.600 -0.118 0.000 0.975 68 K CA -0.802 55.297 56.287 -0.312 0.000 0.867 68 K CB 2.662 35.028 32.500 -0.223 0.000 1.465 68 K HN 0.834 nan 8.250 nan 0.000 0.417 69 I N 1.818 122.321 120.570 -0.112 0.000 2.648 69 I HA 0.499 4.669 4.170 0.000 0.000 0.304 69 I C -1.066 175.039 176.117 -0.020 0.000 1.009 69 I CA -0.301 60.983 61.300 -0.026 0.000 1.114 69 I CB 1.929 39.925 38.000 -0.007 0.000 1.293 69 I HN 0.882 nan 8.210 nan 0.000 0.449 70 E N 2.666 122.871 120.200 0.008 0.000 2.392 70 E HA 0.402 4.752 4.350 0.000 0.000 0.279 70 E C -1.491 175.130 176.600 0.034 0.000 0.964 70 E CA -0.506 55.906 56.400 0.020 0.000 0.777 70 E CB 2.104 31.807 29.700 0.005 0.000 1.249 70 E HN 0.616 nan 8.360 nan 0.000 0.449 71 S N 0.652 116.387 115.700 0.057 0.000 2.578 71 S HA 0.811 5.281 4.470 0.000 0.000 0.301 71 S C -0.274 174.359 174.600 0.055 0.000 1.091 71 S CA -0.248 57.986 58.200 0.057 0.000 1.032 71 S CB 1.857 65.099 63.200 0.069 0.000 1.064 71 S HN 0.569 nan 8.310 nan 0.000 0.508 72 A N 2.063 124.901 122.820 0.031 0.000 2.795 72 A HA 0.378 4.698 4.320 0.000 0.000 0.282 72 A C 0.770 178.372 177.584 0.030 0.000 0.964 72 A CA -0.737 51.306 52.037 0.011 0.000 1.045 72 A CB -0.554 18.425 19.000 -0.036 0.000 1.174 72 A HN 0.716 nan 8.150 nan 0.000 0.493 73 N N 0.657 119.395 118.700 0.063 0.000 2.006 73 N HA -0.209 4.531 4.740 0.000 0.000 0.196 73 N C 1.613 177.202 175.510 0.132 0.000 1.070 73 N CA 2.103 55.203 53.050 0.084 0.000 0.859 73 N CB -0.811 37.730 38.487 0.090 0.000 1.060 73 N HN 0.819 nan 8.380 nan 0.000 0.424 74 H N 1.300 120.386 119.070 0.025 0.000 2.319 74 H HA -0.080 4.476 4.556 0.000 0.000 0.297 74 H C -0.717 174.614 175.328 0.005 0.000 1.097 74 H CA 1.309 57.370 56.048 0.021 0.000 1.285 74 H CB -0.472 29.298 29.762 0.013 0.000 1.368 74 H HN 0.191 nan 8.280 nan 0.000 0.495 75 P HA -0.153 nan 4.420 nan 0.000 0.213 75 P C 1.710 179.006 177.300 -0.006 0.000 1.170 75 P CA 2.038 65.099 63.100 -0.065 0.000 0.902 75 P CB -0.043 31.618 31.700 -0.066 0.000 0.789 76 S N -0.343 115.365 115.700 0.014 0.000 2.374 76 S HA -0.223 4.247 4.470 0.000 0.000 0.227 76 S C 2.074 176.698 174.600 0.040 0.000 1.037 76 S CA 1.520 59.728 58.200 0.013 0.000 1.024 76 S CB -1.300 61.900 63.200 -0.001 0.000 0.861 76 S HN 0.177 nan 8.310 nan 0.000 0.456 77 A N 0.958 123.828 122.820 0.084 0.000 1.986 77 A HA -0.113 4.207 4.320 0.000 0.000 0.220 77 A C 2.001 179.643 177.584 0.097 0.000 1.171 77 A CA 1.409 53.507 52.037 0.101 0.000 0.640 77 A CB -0.641 18.456 19.000 0.162 0.000 0.811 77 A HN 0.540 nan 8.150 nan 0.000 0.451 78 I N -1.811 118.814 120.570 0.092 0.000 2.368 78 I HA 0.016 4.186 4.170 0.000 0.000 0.238 78 I C 0.663 176.802 176.117 0.037 0.000 1.076 78 I CA 0.607 61.944 61.300 0.061 0.000 1.397 78 I CB -0.047 37.964 38.000 0.018 0.000 1.141 78 I HN 0.057 nan 8.210 nan 0.000 0.430 79 E N 1.033 121.248 120.200 0.025 0.000 2.546 79 E HA 0.209 4.559 4.350 0.000 0.000 0.227 79 E C -1.900 174.721 176.600 0.036 0.000 1.009 79 E CA -1.701 54.719 56.400 0.034 0.000 0.813 79 E CB 1.227 30.945 29.700 0.031 0.000 1.269 79 E HN 0.048 nan 8.360 nan 0.000 0.432 80 P HA -0.239 nan 4.420 nan 0.000 0.217 80 P C 1.280 178.586 177.300 0.011 0.000 1.162 80 P CA 1.324 64.431 63.100 0.012 0.000 0.901 80 P CB 0.041 31.747 31.700 0.010 0.000 0.793 81 Y N 0.397 120.658 120.300 -0.064 0.000 2.089 81 Y HA -0.208 4.342 4.550 -0.000 0.000 0.282 81 Y C 2.183 178.057 175.900 -0.043 0.000 1.139 81 Y CA 1.794 59.854 58.100 -0.067 0.000 1.123 81 Y CB -0.880 37.545 38.460 -0.058 0.000 0.980 81 Y HN -0.113 nan 8.280 nan 0.000 0.493 82 N N -0.007 118.764 118.700 0.118 0.000 2.142 82 N HA -0.128 4.612 4.740 0.000 0.000 0.186 82 N C 2.027 177.502 175.510 -0.060 0.000 1.023 82 N CA 1.272 54.342 53.050 0.033 0.000 0.852 82 N CB -1.000 37.542 38.487 0.092 0.000 0.998 82 N HN 0.539 nan 8.380 nan 0.000 0.424 83 G N 1.247 110.020 108.800 -0.045 0.000 2.545 83 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 83 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 83 G C 1.700 176.536 174.900 -0.107 0.000 1.218 83 G CA 1.711 46.772 45.100 -0.065 0.000 0.787 83 G HN 0.445 nan 8.290 nan 0.000 0.571 84 A N 1.176 123.920 122.820 -0.126 0.000 1.873 84 A HA 0.131 4.451 4.320 0.000 0.000 0.218 84 A C 2.884 180.335 177.584 -0.222 0.000 1.193 84 A CA 2.898 54.840 52.037 -0.159 0.000 0.629 84 A CB -1.067 17.830 19.000 -0.172 0.000 0.826 84 A HN 1.045 nan 8.150 nan 0.000 0.447 85 A N -1.171 121.484 122.820 -0.275 0.000 1.883 85 A HA -0.133 4.187 4.320 0.000 0.000 0.217 85 A C 2.314 179.655 177.584 -0.406 0.000 1.186 85 A CA 2.468 54.331 52.037 -0.291 0.000 0.624 85 A CB -1.419 17.453 19.000 -0.213 0.000 0.822 85 A HN 0.464 nan 8.150 nan 0.000 0.444 86 T N -0.283 114.122 114.554 -0.250 0.000 2.788 86 T HA -0.045 4.305 4.350 0.000 0.000 0.268 86 T C 1.935 176.476 174.700 -0.266 0.000 1.044 86 T CA 1.425 63.387 62.100 -0.230 0.000 1.139 86 T CB -0.609 68.187 68.868 -0.119 0.000 0.867 86 T HN 0.609 nan 8.240 nan 0.000 0.454 87 G N 1.121 109.791 108.800 -0.217 0.000 2.418 87 G HA2 -0.165 3.795 3.960 0.000 0.000 0.217 87 G HA3 -0.165 3.795 3.960 0.000 0.000 0.217 87 G C 1.685 176.445 174.900 -0.233 0.000 1.158 87 G CA 0.904 45.904 45.100 -0.168 0.000 0.771 87 G HN 0.436 nan 8.290 nan 0.000 0.545 88 V N 1.707 121.416 119.914 -0.343 0.000 2.237 88 V HA -0.092 4.028 4.120 0.000 0.000 0.245 88 V C 3.198 178.970 176.094 -0.537 0.000 1.046 88 V CA 2.131 64.192 62.300 -0.399 0.000 1.007 88 V CB -1.349 30.194 31.823 -0.468 0.000 0.638 88 V HN 0.425 nan 8.190 nan 0.000 0.445 89 G N 0.127 108.315 108.800 -1.021 0.000 2.529 89 G HA2 -0.254 3.706 3.960 0.000 0.000 0.219 89 G HA3 -0.254 3.706 3.960 0.000 0.000 0.219 89 G C 1.634 176.348 174.900 -0.310 0.000 1.177 89 G CA 1.288 45.899 45.100 -0.816 0.000 0.773 89 G HN 0.629 nan 8.290 nan 0.000 0.573 90 G N 0.727 109.374 108.800 -0.256 0.000 2.446 90 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 90 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 90 G C 1.758 176.585 174.900 -0.122 0.000 1.168 90 G CA 1.005 46.017 45.100 -0.146 0.000 0.771 90 G HN 0.385 nan 8.290 nan 0.000 0.551 91 I N 0.881 121.377 120.570 -0.123 0.000 2.361 91 I HA -0.081 4.089 4.170 0.000 0.000 0.251 91 I C 2.325 178.397 176.117 -0.074 0.000 1.133 91 I CA 0.423 61.673 61.300 -0.084 0.000 1.413 91 I CB -0.087 37.874 38.000 -0.064 0.000 1.073 91 I HN 0.059 nan 8.210 nan 0.000 0.424 92 I N 0.313 120.830 120.570 -0.089 0.000 2.252 92 I HA -0.226 3.944 4.170 0.000 0.000 0.245 92 I C 2.554 178.628 176.117 -0.072 0.000 1.102 92 I CA 1.290 62.559 61.300 -0.052 0.000 1.385 92 I CB -1.065 36.917 38.000 -0.030 0.000 1.064 92 I HN 0.293 nan 8.210 nan 0.000 0.414 93 R N 0.431 120.868 120.500 -0.105 0.000 2.096 93 R HA -0.167 4.173 4.340 0.000 0.000 0.235 93 R C 1.826 178.029 176.300 -0.163 0.000 1.127 93 R CA 1.308 57.316 56.100 -0.153 0.000 0.968 93 R CB -0.278 29.925 30.300 -0.160 0.000 0.861 93 R HN 0.365 nan 8.270 nan 0.000 0.440 94 D N 0.222 120.551 120.400 -0.120 0.000 2.149 94 D HA -0.125 4.515 4.640 0.000 0.000 0.198 94 D C 1.923 178.166 176.300 -0.095 0.000 0.990 94 D CA 1.120 55.056 54.000 -0.108 0.000 0.839 94 D CB 0.009 40.756 40.800 -0.089 0.000 0.948 94 D HN 0.034 nan 8.370 nan 0.000 0.460 95 V N 0.961 120.833 119.914 -0.070 0.000 2.346 95 V HA -0.161 3.959 4.120 0.000 0.000 0.244 95 V C 2.432 178.503 176.094 -0.037 0.000 1.037 95 V CA 0.797 63.079 62.300 -0.031 0.000 1.029 95 V CB -0.404 31.427 31.823 0.013 0.000 0.663 95 V HN 0.123 nan 8.190 nan 0.000 0.454 96 L N 1.553 122.729 121.223 -0.078 0.000 2.042 96 L HA -0.134 4.206 4.340 0.000 0.000 0.210 96 L C 2.406 179.129 176.870 -0.245 0.000 1.076 96 L CA 2.531 57.309 54.840 -0.104 0.000 0.749 96 L CB -0.999 40.962 42.059 -0.164 0.000 0.893 96 L HN 0.216 nan 8.230 nan 0.000 0.432 97 A N -0.693 121.897 122.820 -0.382 0.000 2.024 97 A HA -0.207 4.113 4.320 0.000 0.000 0.220 97 A C 2.197 179.754 177.584 -0.045 0.000 1.164 97 A CA 1.931 53.704 52.037 -0.440 0.000 0.643 97 A CB -0.717 18.110 19.000 -0.289 0.000 0.806 97 A HN 0.595 nan 8.150 nan 0.000 0.451 98 M N -1.102 118.496 119.600 -0.003 0.000 2.686 98 M HA 0.089 4.569 4.480 0.000 0.000 0.246 98 M C 1.454 177.838 176.300 0.139 0.000 1.096 98 M CA 0.818 56.153 55.300 0.059 0.000 1.076 98 M CB -0.113 32.501 32.600 0.024 0.000 1.504 98 M HN 0.654 nan 8.290 nan 0.000 0.524 99 G N 0.448 109.412 108.800 0.273 0.000 2.179 99 G HA2 -0.241 3.719 3.960 0.000 0.000 0.260 99 G HA3 -0.241 3.719 3.960 0.000 0.000 0.260 99 G C 0.164 175.185 174.900 0.202 0.000 0.977 99 G CA 0.139 45.445 45.100 0.343 0.000 0.641 99 G HN 0.691 nan 8.290 nan 0.000 0.533 100 A N 0.032 122.936 122.820 0.140 0.000 2.327 100 A HA 0.746 5.066 4.320 0.000 0.000 0.283 100 A C 0.664 178.307 177.584 0.099 0.000 1.127 100 A CA 0.327 52.420 52.037 0.094 0.000 0.810 100 A CB 0.400 19.436 19.000 0.060 0.000 1.066 100 A HN 0.892 nan 8.150 nan 0.000 0.492 101 R N 3.006 123.556 120.500 0.084 0.000 2.296 101 R HA 0.285 4.625 4.340 0.000 0.000 0.323 101 R C -2.635 173.706 176.300 0.069 0.000 1.067 101 R CA -1.318 54.830 56.100 0.080 0.000 0.946 101 R CB 0.139 30.479 30.300 0.067 0.000 0.991 101 R HN 0.357 nan 8.270 nan 0.000 0.448 102 P HA -0.017 nan 4.420 nan 0.000 0.261 102 P C -0.163 177.183 177.300 0.077 0.000 1.203 102 P CA 0.334 63.476 63.100 0.071 0.000 0.767 102 P CB 1.153 32.886 31.700 0.056 0.000 0.785 103 T N 0.568 115.185 114.554 0.105 0.000 2.985 103 T HA 0.547 4.897 4.350 0.000 0.000 0.254 103 T C 0.379 175.148 174.700 0.115 0.000 1.021 103 T CA -0.048 62.119 62.100 0.111 0.000 0.957 103 T CB 0.331 69.285 68.868 0.143 0.000 1.047 103 T HN 0.407 nan 8.240 nan 0.000 0.511 104 A N 0.789 123.700 122.820 0.151 0.000 2.530 104 A HA 0.659 4.979 4.320 0.000 0.000 0.297 104 A C -1.145 176.502 177.584 0.106 0.000 1.059 104 A CA -0.878 51.208 52.037 0.082 0.000 0.782 104 A CB 0.789 19.886 19.000 0.163 0.000 1.301 104 A HN 0.378 nan 8.150 nan 0.000 0.394 105 I N 1.348 121.845 120.570 -0.121 0.000 2.488 105 I HA 0.630 4.800 4.170 0.000 0.000 0.299 105 I C -0.849 175.073 176.117 -0.324 0.000 0.984 105 I CA -0.403 60.855 61.300 -0.070 0.000 1.250 105 I CB 1.340 39.271 38.000 -0.115 0.000 1.389 105 I HN 0.602 nan 8.210 nan 0.000 0.488 106 F N 2.393 122.336 119.950 -0.012 0.000 2.581 106 F HA 0.317 4.844 4.527 -0.000 0.000 0.311 106 F C -0.847 174.949 175.800 -0.008 0.000 1.113 106 F CA -0.879 57.118 58.000 -0.005 0.000 0.935 106 F CB 1.863 40.889 39.000 0.043 0.000 1.232 106 F HN 0.439 nan 8.300 nan 0.000 0.445 107 D N -0.197 120.283 120.400 0.134 0.000 2.527 107 D HA 0.524 5.164 4.640 0.000 0.000 0.233 107 D C -1.079 175.278 176.300 0.096 0.000 1.063 107 D CA -0.884 53.171 54.000 0.092 0.000 0.880 107 D CB 2.066 42.893 40.800 0.046 0.000 1.457 107 D HN 0.271 nan 8.370 nan 0.000 0.475 108 S N 1.435 117.168 115.700 0.055 0.000 2.399 108 S HA 0.376 4.846 4.470 0.000 0.000 0.215 108 S C -0.921 173.583 174.600 -0.161 0.000 1.456 108 S CA -0.807 57.387 58.200 -0.009 0.000 1.199 108 S CB -0.456 62.818 63.200 0.125 0.000 1.063 108 S HN 0.414 nan 8.310 nan 0.000 0.476 109 L N 5.272 126.337 121.223 -0.264 0.000 2.312 109 L HA 0.574 4.914 4.340 0.000 0.000 0.281 109 L C -0.023 176.469 176.870 -0.630 0.000 1.070 109 L CA -0.661 54.003 54.840 -0.294 0.000 0.805 109 L CB 0.752 42.719 42.059 -0.154 0.000 1.174 109 L HN 0.542 nan 8.230 nan 0.000 0.434 110 H N 5.139 124.049 119.070 -0.267 0.000 2.970 110 H HA 0.582 5.138 4.556 0.000 0.000 0.315 110 H C -0.719 174.316 175.328 -0.489 0.000 0.992 110 H CA -0.404 55.318 56.048 -0.544 0.000 1.363 110 H CB 1.753 30.933 29.762 -0.971 0.000 1.532 110 H HN 0.566 nan 8.280 nan 0.000 0.514 111 M N 0.345 119.814 119.600 -0.219 0.000 2.664 111 M HA 0.205 4.685 4.480 0.000 0.000 0.279 111 M C 0.946 177.237 176.300 -0.016 0.000 1.275 111 M CA -0.892 54.361 55.300 -0.077 0.000 0.829 111 M CB 2.288 34.843 32.600 -0.075 0.000 1.727 111 M HN 0.349 nan 8.290 nan 0.000 0.459 112 S N -0.346 115.349 115.700 -0.009 0.000 2.603 112 S HA 0.190 4.660 4.470 0.000 0.000 0.220 112 S C 0.355 174.927 174.600 -0.047 0.000 0.967 112 S CA -0.132 58.046 58.200 -0.037 0.000 0.920 112 S CB -0.351 62.798 63.200 -0.084 0.000 0.773 112 S HN 0.798 nan 8.310 nan 0.000 0.529 113 R N -1.068 119.407 120.500 -0.042 0.000 2.789 113 R HA 0.387 4.727 4.340 0.000 0.000 0.279 113 R C -1.690 174.596 176.300 -0.023 0.000 1.010 113 R CA -1.092 54.989 56.100 -0.030 0.000 0.855 113 R CB -0.015 30.265 30.300 -0.034 0.000 1.312 113 R HN 0.014 nan 8.270 nan 0.000 0.479 114 I N 2.678 123.246 120.570 -0.003 0.000 2.357 114 I HA 0.174 4.344 4.170 0.000 0.000 0.300 114 I C 0.260 176.379 176.117 0.004 0.000 1.159 114 I CA -0.259 61.052 61.300 0.017 0.000 1.339 114 I CB -0.326 37.707 38.000 0.054 0.000 1.458 114 I HN 0.451 nan 8.210 nan 0.000 0.577 115 I N 6.090 126.643 120.570 -0.028 0.000 2.260 115 I HA 0.046 4.216 4.170 0.000 0.000 0.297 115 I C 1.109 177.178 176.117 -0.081 0.000 1.143 115 I CA -0.287 60.986 61.300 -0.044 0.000 1.271 115 I CB 0.059 38.027 38.000 -0.053 0.000 1.461 115 I HN 0.396 nan 8.210 nan 0.000 0.530 116 D N 4.478 124.837 120.400 -0.068 0.000 2.170 116 D HA -0.216 4.424 4.640 0.000 0.000 0.193 116 D C 2.245 178.364 176.300 -0.301 0.000 1.004 116 D CA 1.739 55.618 54.000 -0.201 0.000 0.860 116 D CB -0.093 40.671 40.800 -0.061 0.000 0.931 116 D HN 0.679 nan 8.370 nan 0.000 0.448 117 G N 0.698 109.425 108.800 -0.123 0.000 2.513 117 G HA2 -0.300 3.660 3.960 0.000 0.000 0.219 117 G HA3 -0.300 3.660 3.960 0.000 0.000 0.219 117 G C 1.656 176.522 174.900 -0.056 0.000 1.160 117 G CA 0.984 46.083 45.100 -0.001 0.000 0.767 117 G HN 0.308 nan 8.290 nan 0.000 0.571 118 I N 0.706 121.203 120.570 -0.123 0.000 2.179 118 I HA -0.138 4.032 4.170 0.000 0.000 0.242 118 I C 2.652 178.625 176.117 -0.241 0.000 1.088 118 I CA 0.590 61.792 61.300 -0.163 0.000 1.357 118 I CB -0.281 37.642 38.000 -0.129 0.000 1.051 118 I HN 0.086 nan 8.210 nan 0.000 0.409 119 I N 0.786 121.159 120.570 -0.328 0.000 2.127 119 I HA -0.298 3.872 4.170 0.000 0.000 0.241 119 I C 2.552 178.448 176.117 -0.367 0.000 1.075 119 I CA 1.751 62.753 61.300 -0.497 0.000 1.334 119 I CB -1.372 36.260 38.000 -0.613 0.000 1.040 119 I HN 0.387 nan 8.210 nan 0.000 0.405 120 E N 0.894 120.810 120.200 -0.474 0.000 2.051 120 E HA -0.168 4.182 4.350 0.000 0.000 0.192 120 E C 2.337 178.811 176.600 -0.210 0.000 0.991 120 E CA 1.295 57.519 56.400 -0.294 0.000 0.799 120 E CB -0.294 29.205 29.700 -0.336 0.000 0.748 120 E HN 0.475 nan 8.360 nan 0.000 0.449 121 G N 1.646 110.168 108.800 -0.465 0.000 2.529 121 G HA2 -0.306 3.654 3.960 0.000 0.000 0.219 121 G HA3 -0.306 3.654 3.960 0.000 0.000 0.219 121 G C 1.612 176.274 174.900 -0.398 0.000 1.177 121 G CA 1.213 45.768 45.100 -0.909 0.000 0.773 121 G HN 0.271 nan 8.290 nan 0.000 0.573 122 I N 1.218 121.646 120.570 -0.237 0.000 2.142 122 I HA -0.193 3.977 4.170 0.000 0.000 0.240 122 I C 3.340 179.422 176.117 -0.058 0.000 1.078 122 I CA 1.056 62.283 61.300 -0.122 0.000 1.343 122 I CB -0.291 37.675 38.000 -0.058 0.000 1.046 122 I HN 0.281 nan 8.210 nan 0.000 0.405 123 A N 0.633 123.448 122.820 -0.008 0.000 1.865 123 A HA -0.264 4.056 4.320 0.000 0.000 0.217 123 A C 1.968 179.560 177.584 0.014 0.000 1.191 123 A CA 2.230 54.278 52.037 0.017 0.000 0.623 123 A CB -0.752 18.312 19.000 0.108 0.000 0.826 123 A HN 0.366 nan 8.150 nan 0.000 0.444 124 D N -1.540 118.873 120.400 0.021 0.000 2.087 124 D HA -0.187 4.453 4.640 0.000 0.000 0.192 124 D C 1.741 178.022 176.300 -0.031 0.000 0.993 124 D CA 1.735 55.755 54.000 0.033 0.000 0.828 124 D CB -0.686 40.172 40.800 0.097 0.000 0.968 124 D HN 0.525 nan 8.370 nan 0.000 0.448 125 Y N 1.576 121.787 120.300 -0.150 0.000 2.014 125 Y HA -0.259 4.291 4.550 -0.000 0.000 0.272 125 Y C 2.512 178.328 175.900 -0.140 0.000 1.164 125 Y CA 2.348 60.342 58.100 -0.178 0.000 1.114 125 Y CB -0.839 37.502 38.460 -0.198 0.000 0.961 125 Y HN 0.020 nan 8.280 nan 0.000 0.489 126 G N 0.017 108.906 108.800 0.149 0.000 2.529 126 G HA2 -0.375 3.585 3.960 0.000 0.000 0.219 126 G HA3 -0.375 3.585 3.960 0.000 0.000 0.219 126 G C 1.595 176.492 174.900 -0.005 0.000 1.177 126 G CA 1.346 46.483 45.100 0.062 0.000 0.773 126 G HN 0.430 nan 8.290 nan 0.000 0.573 127 N N 0.844 119.531 118.700 -0.020 0.000 2.084 127 N HA -0.090 4.650 4.740 0.000 0.000 0.190 127 N C 2.547 178.040 175.510 -0.028 0.000 1.030 127 N CA 1.407 54.448 53.050 -0.015 0.000 0.849 127 N CB -0.654 37.837 38.487 0.007 0.000 1.012 127 N HN 0.235 nan 8.380 nan 0.000 0.423 128 S N 1.344 116.991 115.700 -0.088 0.000 2.387 128 S HA -0.086 4.384 4.470 0.000 0.000 0.230 128 S C 1.885 176.399 174.600 -0.143 0.000 1.035 128 S CA 0.939 59.054 58.200 -0.142 0.000 1.014 128 S CB -0.280 62.656 63.200 -0.440 0.000 0.836 128 S HN 0.538 nan 8.310 nan 0.000 0.466 129 I N -1.983 118.493 120.570 -0.157 0.000 3.793 129 I HA 0.432 4.602 4.170 0.000 0.000 0.315 129 I C 1.252 177.368 176.117 -0.003 0.000 1.275 129 I CA 0.361 61.617 61.300 -0.074 0.000 1.214 129 I CB -0.559 37.422 38.000 -0.032 0.000 1.018 129 I HN 0.280 nan 8.210 nan 0.000 0.439 130 G N 1.741 110.540 108.800 -0.001 0.000 2.148 130 G HA2 -0.222 3.738 3.960 0.000 0.000 0.254 130 G HA3 -0.222 3.738 3.960 0.000 0.000 0.254 130 G C 0.114 175.020 174.900 0.009 0.000 0.981 130 G CA 0.222 45.330 45.100 0.012 0.000 0.670 130 G HN 0.333 nan 8.290 nan 0.000 0.528 131 V N 3.132 123.050 119.914 0.007 0.000 2.333 131 V HA 0.399 4.519 4.120 0.000 0.000 0.274 131 V C -1.013 175.059 176.094 -0.037 0.000 1.028 131 V CA -1.523 60.778 62.300 0.001 0.000 0.851 131 V CB 1.307 33.142 31.823 0.020 0.000 1.000 131 V HN 0.271 nan 8.190 nan 0.000 0.456 132 P HA -0.003 nan 4.420 nan 0.000 0.266 132 P C -0.020 177.173 177.300 -0.180 0.000 1.186 132 P CA 0.213 63.252 63.100 -0.102 0.000 0.767 132 P CB 0.487 32.132 31.700 -0.092 0.000 0.820 133 T N 2.597 117.012 114.554 -0.233 0.000 3.471 133 T HA 0.183 4.533 4.350 0.000 0.000 0.355 133 T C 1.596 176.042 174.700 -0.423 0.000 1.775 133 T CA -0.460 61.426 62.100 -0.356 0.000 1.305 133 T CB -0.447 68.170 68.868 -0.418 0.000 1.171 133 T HN 0.076 nan 8.240 nan 0.000 0.776 134 V N 1.898 121.494 119.914 -0.529 0.000 2.239 134 V HA -0.103 4.017 4.120 0.000 0.000 0.246 134 V C 1.902 177.743 176.094 -0.423 0.000 1.037 134 V CA 2.195 64.188 62.300 -0.512 0.000 1.012 134 V CB -0.960 30.442 31.823 -0.703 0.000 0.650 134 V HN 0.773 nan 8.190 nan 0.000 0.467 135 G N -2.365 106.076 108.800 -0.597 0.000 2.990 135 G HA2 0.690 4.650 3.960 0.000 0.000 0.208 135 G HA3 0.690 4.650 3.960 0.000 0.000 0.208 135 G C -0.229 174.681 174.900 0.016 0.000 1.334 135 G CA -0.001 45.044 45.100 -0.091 0.000 1.024 135 G HN 1.049 nan 8.290 nan 0.000 0.574 136 G N -1.616 107.306 108.800 0.203 0.000 2.392 136 G HA2 0.497 4.457 3.960 0.000 0.000 0.260 136 G HA3 0.497 4.457 3.960 0.000 0.000 0.260 136 G C -1.640 173.372 174.900 0.186 0.000 1.226 136 G CA 0.351 45.572 45.100 0.203 0.000 0.913 136 G HN 0.931 nan 8.290 nan 0.000 0.483 137 E N -1.431 118.857 120.200 0.146 0.000 2.401 137 E HA 0.496 4.846 4.350 0.000 0.000 0.283 137 E C -2.483 174.125 176.600 0.014 0.000 1.053 137 E CA -0.781 55.670 56.400 0.086 0.000 0.842 137 E CB 2.259 32.003 29.700 0.073 0.000 1.222 137 E HN 0.949 nan 8.360 nan 0.000 0.429 138 L N 3.536 124.757 121.223 -0.004 0.000 2.482 138 L HA 0.580 4.920 4.340 0.000 0.000 0.269 138 L C -1.776 175.058 176.870 -0.061 0.000 0.967 138 L CA -0.351 54.460 54.840 -0.049 0.000 0.851 138 L CB 1.491 43.594 42.059 0.074 0.000 1.242 138 L HN 0.516 nan 8.230 nan 0.000 0.404 139 R N 5.592 126.000 120.500 -0.153 0.000 2.439 139 R HA 0.578 4.918 4.340 0.000 0.000 0.310 139 R C -1.244 175.022 176.300 -0.057 0.000 0.955 139 R CA -0.772 55.336 56.100 0.012 0.000 0.853 139 R CB 1.778 32.184 30.300 0.177 0.000 1.171 139 R HN 0.471 nan 8.270 nan 0.000 0.449 140 I N 1.305 121.873 120.570 -0.004 0.000 2.321 140 I HA 0.296 4.466 4.170 0.000 0.000 0.291 140 I C 0.122 176.139 176.117 -0.168 0.000 0.998 140 I CA 0.029 61.294 61.300 -0.058 0.000 1.227 140 I CB 1.660 39.654 38.000 -0.009 0.000 1.368 140 I HN 0.506 nan 8.210 nan 0.000 0.466 141 S N 3.134 118.724 115.700 -0.183 0.000 2.603 141 S HA 0.260 4.730 4.470 0.000 0.000 0.274 141 S C 0.918 175.437 174.600 -0.135 0.000 1.168 141 S CA -0.037 57.980 58.200 -0.304 0.000 0.963 141 S CB 1.029 63.722 63.200 -0.844 0.000 1.078 141 S HN 0.696 nan 8.310 nan 0.000 0.477 142 S N 4.671 120.299 115.700 -0.119 0.000 2.402 142 S HA -0.133 4.337 4.470 0.000 0.000 0.233 142 S C 1.732 176.248 174.600 -0.140 0.000 1.030 142 S CA 1.364 59.504 58.200 -0.099 0.000 1.003 142 S CB -0.882 62.279 63.200 -0.066 0.000 0.813 142 S HN 0.755 nan 8.310 nan 0.000 0.477 143 L N -0.778 120.309 121.223 -0.228 0.000 2.450 143 L HA -0.059 4.281 4.340 0.000 0.000 0.225 143 L C 1.220 177.806 176.870 -0.474 0.000 1.145 143 L CA 1.066 55.696 54.840 -0.351 0.000 0.801 143 L CB -0.556 41.218 42.059 -0.475 0.000 0.924 143 L HN 0.376 nan 8.230 nan 0.000 0.447 144 Y N -1.963 118.255 120.300 -0.136 0.000 2.636 144 Y HA 0.336 4.886 4.550 -0.000 0.000 0.260 144 Y C 1.919 177.734 175.900 -0.141 0.000 1.177 144 Y CA -0.086 57.947 58.100 -0.111 0.000 1.209 144 Y CB -0.357 38.040 38.460 -0.105 0.000 1.166 144 Y HN 0.019 nan 8.280 nan 0.000 0.531 145 A N 0.125 122.882 122.820 -0.104 0.000 1.896 145 A HA -0.255 4.065 4.320 0.000 0.000 0.220 145 A C 1.656 178.953 177.584 -0.480 0.000 1.206 145 A CA 2.349 54.197 52.037 -0.316 0.000 0.647 145 A CB -0.602 18.131 19.000 -0.445 0.000 0.828 145 A HN 0.550 nan 8.150 nan 0.000 0.455 146 H N -1.775 117.161 119.070 -0.224 0.000 2.586 146 H HA 0.155 4.711 4.556 0.000 0.000 0.273 146 H C -0.490 174.805 175.328 -0.054 0.000 0.997 146 H CA 0.330 56.230 56.048 -0.246 0.000 1.177 146 H CB 0.073 29.434 29.762 -0.668 0.000 1.471 146 H HN 0.526 nan 8.280 nan 0.000 0.538 147 N N 1.691 120.444 118.700 0.088 0.000 2.841 147 N HA 0.201 4.941 4.740 0.000 0.000 0.257 147 N C -2.949 172.650 175.510 0.149 0.000 1.396 147 N CA -1.265 51.859 53.050 0.124 0.000 0.823 147 N CB 1.648 40.215 38.487 0.134 0.000 1.162 147 N HN 0.018 nan 8.380 nan 0.000 0.503 148 P HA 0.110 nan 4.420 nan 0.000 0.276 148 P C -0.488 176.824 177.300 0.020 0.000 1.253 148 P CA -0.048 63.070 63.100 0.030 0.000 0.766 148 P CB 0.750 32.449 31.700 -0.001 0.000 0.845 149 L N 4.293 125.496 121.223 -0.033 0.000 2.282 149 L HA 0.257 4.597 4.340 0.000 0.000 0.287 149 L C -0.125 176.778 176.870 0.054 0.000 1.075 149 L CA -0.665 54.181 54.840 0.009 0.000 0.839 149 L CB 0.674 42.685 42.059 -0.081 0.000 1.219 149 L HN 0.091 nan 8.230 nan 0.000 0.434 150 V N 3.808 123.741 119.914 0.032 0.000 2.288 150 V HA 0.215 4.335 4.120 0.000 0.000 0.266 150 V C 0.155 176.266 176.094 0.029 0.000 1.048 150 V CA -0.452 61.853 62.300 0.009 0.000 0.842 150 V CB 0.582 32.391 31.823 -0.023 0.000 1.064 150 V HN 0.716 nan 8.190 nan 0.000 0.472 151 N N 3.247 121.981 118.700 0.057 0.000 2.419 151 N HA 0.607 5.347 4.740 0.000 0.000 0.277 151 N C -1.077 174.461 175.510 0.047 0.000 1.006 151 N CA -0.486 52.601 53.050 0.062 0.000 0.923 151 N CB 2.474 41.022 38.487 0.101 0.000 1.140 151 N HN 0.360 nan 8.380 nan 0.000 0.488 152 V N 3.544 123.477 119.914 0.030 0.000 2.487 152 V HA 0.412 4.532 4.120 0.000 0.000 0.298 152 V C -0.166 175.961 176.094 0.055 0.000 1.028 152 V CA -0.784 61.534 62.300 0.029 0.000 0.860 152 V CB 1.852 33.657 31.823 -0.029 0.000 0.991 152 V HN 0.523 nan 8.190 nan 0.000 0.427 153 L N 4.358 125.654 121.223 0.122 0.000 2.334 153 L HA 0.990 5.330 4.340 0.000 0.000 0.276 153 L C -0.155 176.855 176.870 0.233 0.000 1.014 153 L CA -0.296 54.635 54.840 0.152 0.000 0.815 153 L CB 1.726 43.887 42.059 0.170 0.000 1.268 153 L HN 0.788 nan 8.230 nan 0.000 0.428 154 A N 3.769 126.704 122.820 0.192 0.000 2.435 154 A HA 0.952 5.272 4.320 0.000 0.000 0.304 154 A C -1.266 176.469 177.584 0.252 0.000 1.064 154 A CA -0.169 51.998 52.037 0.217 0.000 0.727 154 A CB 1.820 20.878 19.000 0.096 0.000 1.284 154 A HN 0.992 nan 8.150 nan 0.000 0.415 155 A N 0.436 123.432 122.820 0.294 0.000 2.475 155 A HA 0.968 5.288 4.320 0.000 0.000 0.301 155 A C -0.091 177.599 177.584 0.177 0.000 1.059 155 A CA -0.060 52.132 52.037 0.257 0.000 0.710 155 A CB 1.730 20.913 19.000 0.306 0.000 1.288 155 A HN 2.263 nan 8.150 nan 0.000 0.408 156 G N -0.748 108.100 108.800 0.080 0.000 2.708 156 G HA2 0.612 4.572 3.960 0.000 0.000 0.289 156 G HA3 0.612 4.572 3.960 0.000 0.000 0.289 156 G C -1.568 173.305 174.900 -0.045 0.000 1.416 156 G CA -0.484 44.643 45.100 0.045 0.000 0.829 156 G HN 1.067 nan 8.290 nan 0.000 0.480 157 V N -0.349 119.546 119.914 -0.031 0.000 2.547 157 V HA 0.781 4.901 4.120 0.000 0.000 0.299 157 V C -0.457 175.647 176.094 0.016 0.000 1.040 157 V CA -0.797 61.464 62.300 -0.066 0.000 0.913 157 V CB 1.502 33.250 31.823 -0.126 0.000 0.992 157 V HN 0.842 nan 8.190 nan 0.000 0.449 158 V N 5.351 125.302 119.914 0.062 0.000 2.752 158 V HA 0.525 4.645 4.120 0.000 0.000 0.302 158 V C -0.305 175.848 176.094 0.099 0.000 1.133 158 V CA -0.798 61.552 62.300 0.083 0.000 0.919 158 V CB 2.024 33.877 31.823 0.050 0.000 1.026 158 V HN 0.945 nan 8.190 nan 0.000 0.429 159 R N 4.606 125.138 120.500 0.054 0.000 2.570 159 R HA 0.181 4.521 4.340 0.000 0.000 0.277 159 R C 0.961 177.116 176.300 -0.242 0.000 1.039 159 R CA 0.164 56.109 56.100 -0.258 0.000 1.065 159 R CB 0.170 30.250 30.300 -0.367 0.000 0.964 159 R HN 0.785 nan 8.270 nan 0.000 0.428 160 N N 1.653 120.158 118.700 -0.326 0.000 2.430 160 N HA -0.153 4.587 4.740 0.000 0.000 0.186 160 N C 0.318 175.736 175.510 -0.152 0.000 1.032 160 N CA 1.274 54.214 53.050 -0.184 0.000 0.893 160 N CB -0.023 38.366 38.487 -0.164 0.000 0.957 160 N HN 0.640 nan 8.380 nan 0.000 0.442 161 D N -0.986 119.291 120.400 -0.204 0.000 2.388 161 D HA 0.039 4.679 4.640 0.000 0.000 0.221 161 D C 0.596 176.839 176.300 -0.094 0.000 1.133 161 D CA 0.132 54.056 54.000 -0.127 0.000 0.831 161 D CB 0.035 40.761 40.800 -0.124 0.000 0.962 161 D HN 0.207 nan 8.370 nan 0.000 0.502 162 M N -0.014 119.533 119.600 -0.088 0.000 2.314 162 M HA 0.147 4.627 4.480 0.000 0.000 0.383 162 M C -0.275 176.011 176.300 -0.023 0.000 0.984 162 M CA -0.516 54.752 55.300 -0.052 0.000 0.982 162 M CB 1.185 33.758 32.600 -0.045 0.000 1.745 162 M HN -0.105 nan 8.290 nan 0.000 0.600 163 L N 2.145 123.352 121.223 -0.026 0.000 2.584 163 L HA 0.059 4.399 4.340 0.000 0.000 0.272 163 L C -0.040 176.841 176.870 0.018 0.000 1.195 163 L CA 0.565 55.406 54.840 0.002 0.000 0.920 163 L CB 0.416 42.470 42.059 -0.009 0.000 1.173 163 L HN -0.081 nan 8.230 nan 0.000 0.489 164 V N 4.400 124.347 119.914 0.055 0.000 2.432 164 V HA 0.113 4.233 4.120 0.000 0.000 0.271 164 V C 0.233 176.368 176.094 0.067 0.000 1.046 164 V CA -0.826 61.520 62.300 0.078 0.000 0.945 164 V CB 1.283 33.214 31.823 0.179 0.000 0.992 164 V HN 0.712 nan 8.190 nan 0.000 0.471 165 D N 3.517 123.946 120.400 0.048 0.000 2.443 165 D HA 0.050 4.691 4.640 0.000 0.000 0.239 165 D C 0.919 177.249 176.300 0.050 0.000 1.136 165 D CA 0.315 54.337 54.000 0.036 0.000 0.879 165 D CB 1.000 41.815 40.800 0.026 0.000 1.195 165 D HN 0.662 nan 8.370 nan 0.000 0.443 166 S N 1.433 117.151 115.700 0.030 0.000 2.519 166 S HA 0.346 4.816 4.470 0.000 0.000 0.245 166 S C -0.438 174.172 174.600 0.017 0.000 1.152 166 S CA -0.701 57.514 58.200 0.025 0.000 1.175 166 S CB -0.523 62.676 63.200 -0.002 0.000 0.829 166 S HN 0.502 nan 8.310 nan 0.000 0.472 167 K N -1.089 119.328 120.400 0.027 0.000 2.660 167 K HA 0.717 5.037 4.320 0.000 0.000 0.285 167 K C -0.945 175.673 176.600 0.030 0.000 0.997 167 K CA -0.571 55.729 56.287 0.022 0.000 0.861 167 K CB 0.320 32.824 32.500 0.008 0.000 1.469 167 K HN 0.105 nan 8.250 nan 0.000 0.395 168 A N 0.641 123.480 122.820 0.032 0.000 2.445 168 A HA 0.493 4.813 4.320 0.000 0.000 0.242 168 A C 0.316 177.915 177.584 0.025 0.000 1.075 168 A CA 0.271 52.328 52.037 0.034 0.000 0.777 168 A CB -0.189 18.834 19.000 0.039 0.000 1.013 168 A HN 1.315 nan 8.150 nan 0.000 0.493 169 S N 0.446 116.160 115.700 0.023 0.000 3.093 169 S HA 0.436 4.906 4.470 0.000 0.000 0.251 169 S C -0.184 174.426 174.600 0.016 0.000 0.905 169 S CA -0.351 57.859 58.200 0.017 0.000 1.124 169 S CB -0.135 63.073 63.200 0.014 0.000 1.124 169 S HN 0.998 nan 8.310 nan 0.000 0.574 170 R N 0.895 121.406 120.500 0.019 0.000 2.868 170 R HA 0.319 4.659 4.340 0.000 0.000 0.262 170 R C -3.589 172.722 176.300 0.019 0.000 1.163 170 R CA -0.822 55.288 56.100 0.017 0.000 1.105 170 R CB 1.067 31.375 30.300 0.013 0.000 1.270 170 R HN 0.038 nan 8.270 nan 0.000 0.437 171 P HA 0.104 nan 4.420 nan 0.000 0.267 171 P C 0.495 177.807 177.300 0.019 0.000 1.200 171 P CA 1.657 64.769 63.100 0.020 0.000 0.772 171 P CB 0.896 32.607 31.700 0.018 0.000 0.855 172 G N 0.853 109.666 108.800 0.021 0.000 2.345 172 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 172 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 172 G C 0.161 175.074 174.900 0.022 0.000 1.058 172 G CA -0.389 44.723 45.100 0.020 0.000 0.632 172 G HN 0.572 nan 8.290 nan 0.000 0.508 173 Q N 0.771 120.584 119.800 0.023 0.000 2.414 173 Q HA 0.413 4.753 4.340 0.000 0.000 0.288 173 Q C 0.536 176.557 176.000 0.033 0.000 1.086 173 Q CA 0.829 56.648 55.803 0.026 0.000 0.943 173 Q CB 1.394 30.149 28.738 0.028 0.000 1.282 173 Q HN 1.014 nan 8.270 nan 0.000 0.438 174 V N -0.963 118.973 119.914 0.037 0.000 2.960 174 V HA 0.668 4.788 4.120 0.000 0.000 0.315 174 V C -0.462 175.667 176.094 0.058 0.000 1.087 174 V CA -1.088 61.241 62.300 0.048 0.000 0.982 174 V CB 1.712 33.563 31.823 0.046 0.000 1.039 174 V HN 0.605 nan 8.190 nan 0.000 0.437 175 I N 1.806 122.417 120.570 0.069 0.000 2.378 175 I HA 0.550 4.720 4.170 0.000 0.000 0.291 175 I C -0.608 175.571 176.117 0.103 0.000 0.992 175 I CA -0.906 60.447 61.300 0.088 0.000 1.154 175 I CB 1.901 39.953 38.000 0.087 0.000 1.315 175 I HN 0.367 nan 8.210 nan 0.000 0.448 176 V N 6.758 126.750 119.914 0.131 0.000 2.472 176 V HA 0.424 4.544 4.120 0.000 0.000 0.290 176 V C 0.081 176.317 176.094 0.235 0.000 1.037 176 V CA -0.571 61.826 62.300 0.161 0.000 0.908 176 V CB 2.199 34.107 31.823 0.141 0.000 0.985 176 V HN 0.419 nan 8.190 nan 0.000 0.454 177 I N 6.339 127.040 120.570 0.220 0.000 2.355 177 I HA 0.492 4.662 4.170 0.000 0.000 0.288 177 I C -0.466 175.821 176.117 0.283 0.000 0.999 177 I CA -0.135 61.284 61.300 0.199 0.000 1.163 177 I CB 1.049 39.117 38.000 0.114 0.000 1.316 177 I HN 0.665 nan 8.210 nan 0.000 0.454 178 F N 3.908 123.913 119.950 0.092 0.000 2.675 178 F HA 0.969 5.496 4.527 -0.000 0.000 0.324 178 F C 0.259 176.120 175.800 0.100 0.000 1.106 178 F CA -0.465 57.597 58.000 0.103 0.000 0.970 178 F CB 1.512 40.568 39.000 0.093 0.000 1.385 178 F HN 0.698 nan 8.300 nan 0.000 0.489 179 G N 0.110 108.942 108.800 0.053 0.000 2.395 179 G HA2 0.363 4.323 3.960 0.000 0.000 0.201 179 G HA3 0.363 4.323 3.960 0.000 0.000 0.201 179 G C -0.055 174.924 174.900 0.131 0.000 1.206 179 G CA -0.206 44.863 45.100 -0.052 0.000 1.210 179 G HN 1.623 nan 8.290 nan 0.000 0.557 180 G N 0.356 109.219 108.800 0.104 0.000 2.636 180 G HA2 0.658 4.618 3.960 0.000 0.000 0.246 180 G HA3 0.658 4.618 3.960 0.000 0.000 0.246 180 G C 0.651 175.691 174.900 0.233 0.000 1.216 180 G CA 1.155 46.383 45.100 0.213 0.000 0.854 180 G HN 1.947 nan 8.290 nan 0.000 0.572 181 A N 0.142 123.091 122.820 0.215 0.000 2.313 181 A HA 0.646 4.966 4.320 0.000 0.000 0.261 181 A C 0.713 178.290 177.584 -0.012 0.000 1.090 181 A CA -0.165 51.879 52.037 0.012 0.000 0.807 181 A CB 0.373 19.184 19.000 -0.316 0.000 1.055 181 A HN 0.671 nan 8.150 nan 0.000 0.492 182 T N 0.609 115.141 114.554 -0.036 0.000 2.806 182 T HA 0.597 4.947 4.350 0.000 0.000 0.290 182 T C 0.483 175.147 174.700 -0.060 0.000 0.966 182 T CA 0.404 62.482 62.100 -0.037 0.000 1.060 182 T CB 1.340 70.192 68.868 -0.027 0.000 0.927 182 T HN 1.092 nan 8.240 nan 0.000 0.485 183 G N 1.337 110.102 108.800 -0.059 0.000 3.022 183 G HA2 0.520 4.480 3.960 0.000 0.000 0.284 183 G HA3 0.520 4.480 3.960 0.000 0.000 0.284 183 G C -0.965 173.885 174.900 -0.082 0.000 1.375 183 G CA -1.061 43.998 45.100 -0.068 0.000 0.902 183 G HN 0.551 nan 8.290 nan 0.000 0.538 184 R N 1.231 121.680 120.500 -0.085 0.000 2.609 184 R HA 0.216 4.556 4.340 0.000 0.000 0.271 184 R C -1.022 175.238 176.300 -0.067 0.000 1.403 184 R CA 0.117 56.157 56.100 -0.101 0.000 1.138 184 R CB -0.208 30.038 30.300 -0.090 0.000 1.142 184 R HN 0.301 nan 8.270 nan 0.000 0.559 185 D N 1.602 121.962 120.400 -0.067 0.000 2.593 185 D HA 0.201 4.841 4.640 0.000 0.000 0.251 185 D C 0.765 177.039 176.300 -0.043 0.000 1.140 185 D CA -0.167 53.806 54.000 -0.044 0.000 0.855 185 D CB 1.995 42.774 40.800 -0.035 0.000 1.267 185 D HN 0.575 nan 8.370 nan 0.000 0.532 186 G N 0.598 109.378 108.800 -0.033 0.000 2.153 186 G HA2 -0.196 3.764 3.960 0.000 0.000 0.252 186 G HA3 -0.196 3.764 3.960 0.000 0.000 0.252 186 G C 0.359 175.255 174.900 -0.007 0.000 0.994 186 G CA 0.679 45.761 45.100 -0.030 0.000 0.698 186 G HN 0.748 nan 8.290 nan 0.000 0.521 210 G N 2.596 111.439 108.800 0.070 0.000 2.420 210 G HA2 0.736 4.696 3.960 0.000 0.000 0.331 210 G HA3 0.736 4.696 3.960 0.000 0.000 0.331 210 G C -1.059 173.870 174.900 0.047 0.000 1.168 210 G CA -0.139 45.005 45.100 0.073 0.000 0.936 210 G HN 1.159 nan 8.290 nan 0.000 0.479 211 D N 1.555 121.943 120.400 -0.020 0.000 2.175 211 D HA 0.285 4.925 4.640 0.000 0.000 0.248 211 D C -2.216 173.795 176.300 -0.482 0.000 1.047 211 D CA -1.886 51.966 54.000 -0.246 0.000 0.883 211 D CB 2.623 43.413 40.800 -0.016 0.000 1.180 211 D HN 0.028 nan 8.370 nan 0.000 0.438 212 P HA -0.035 nan 4.420 nan 0.000 0.223 212 P C 1.032 177.990 177.300 -0.571 0.000 1.151 212 P CA 0.671 63.137 63.100 -1.055 0.000 0.787 212 P CB -0.078 30.794 31.700 -1.381 0.000 0.788 213 F N 0.517 120.380 119.950 -0.144 0.000 2.134 213 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 213 F C 2.450 178.238 175.800 -0.020 0.000 1.097 213 F CA 1.119 59.082 58.000 -0.062 0.000 1.264 213 F CB -1.898 37.078 39.000 -0.040 0.000 1.001 213 F HN -0.080 nan 8.300 nan 0.000 0.479 214 A N -0.271 122.617 122.820 0.113 0.000 1.929 214 A HA -0.155 4.165 4.320 0.000 0.000 0.216 214 A C 2.122 179.733 177.584 0.046 0.000 1.176 214 A CA 1.530 53.623 52.037 0.093 0.000 0.628 214 A CB -0.792 18.265 19.000 0.094 0.000 0.816 214 A HN 0.350 nan 8.150 nan 0.000 0.444 215 E N 0.351 120.548 120.200 -0.005 0.000 2.058 215 E HA -0.226 4.124 4.350 0.000 0.000 0.194 215 E C 2.020 178.635 176.600 0.024 0.000 0.997 215 E CA 1.866 58.274 56.400 0.013 0.000 0.801 215 E CB -0.194 29.538 29.700 0.054 0.000 0.746 215 E HN 0.571 nan 8.360 nan 0.000 0.450 216 K N -0.608 119.798 120.400 0.010 0.000 2.057 216 K HA -0.158 4.162 4.320 0.000 0.000 0.207 216 K C 2.038 178.687 176.600 0.081 0.000 1.049 216 K CA 1.588 57.902 56.287 0.045 0.000 0.931 216 K CB -0.055 32.477 32.500 0.052 0.000 0.714 216 K HN 0.194 nan 8.250 nan 0.000 0.440 217 M N 0.703 120.367 119.600 0.107 0.000 2.117 217 M HA -0.153 4.327 4.480 0.000 0.000 0.262 217 M C 2.235 178.593 176.300 0.096 0.000 1.065 217 M CA 1.077 56.467 55.300 0.149 0.000 1.114 217 M CB -0.893 31.807 32.600 0.167 0.000 1.361 217 M HN 0.223 nan 8.290 nan 0.000 0.408 218 L N 0.585 121.864 121.223 0.093 0.000 2.012 218 L HA -0.169 4.171 4.340 0.000 0.000 0.210 218 L C 2.192 179.153 176.870 0.152 0.000 1.073 218 L CA 1.699 56.605 54.840 0.110 0.000 0.748 218 L CB -0.561 41.482 42.059 -0.027 0.000 0.891 218 L HN 0.181 nan 8.230 nan 0.000 0.431 219 I N -0.766 119.858 120.570 0.090 0.000 2.113 219 I HA -0.249 3.921 4.170 0.000 0.000 0.238 219 I C 2.467 178.642 176.117 0.096 0.000 1.070 219 I CA 1.135 62.500 61.300 0.109 0.000 1.332 219 I CB -0.537 37.508 38.000 0.074 0.000 1.044 219 I HN 0.259 nan 8.210 nan 0.000 0.402 220 E N 1.083 121.297 120.200 0.023 0.000 2.097 220 E HA -0.253 4.097 4.350 0.000 0.000 0.196 220 E C 2.229 178.658 176.600 -0.285 0.000 1.000 220 E CA 1.632 57.994 56.400 -0.064 0.000 0.804 220 E CB -0.540 29.164 29.700 0.006 0.000 0.740 220 E HN 0.540 nan 8.360 nan 0.000 0.454 221 A N 1.037 123.612 122.820 -0.408 0.000 1.828 221 A HA -0.187 4.133 4.320 0.000 0.000 0.215 221 A C 2.201 179.740 177.584 -0.074 0.000 1.203 221 A CA 1.548 53.339 52.037 -0.411 0.000 0.614 221 A CB -1.216 17.752 19.000 -0.054 0.000 0.844 221 A HN 0.282 nan 8.150 nan 0.000 0.445 222 F N 0.496 120.493 119.950 0.078 0.000 2.091 222 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 222 F C 2.051 177.862 175.800 0.018 0.000 1.103 222 F CA 1.970 60.049 58.000 0.132 0.000 1.228 222 F CB -0.220 38.956 39.000 0.293 0.000 0.984 222 F HN 0.165 nan 8.300 nan 0.000 0.477 223 L N -0.012 121.299 121.223 0.147 0.000 2.042 223 L HA -0.265 4.075 4.340 0.000 0.000 0.210 223 L C 2.521 179.342 176.870 -0.082 0.000 1.076 223 L CA 1.979 56.842 54.840 0.038 0.000 0.749 223 L CB -0.751 41.359 42.059 0.084 0.000 0.893 223 L HN 0.280 nan 8.230 nan 0.000 0.432 224 E N 0.031 120.174 120.200 -0.094 0.000 2.077 224 E HA -0.258 4.092 4.350 0.000 0.000 0.193 224 E C 2.315 178.828 176.600 -0.145 0.000 0.989 224 E CA 1.292 57.639 56.400 -0.089 0.000 0.800 224 E CB -0.014 29.649 29.700 -0.062 0.000 0.746 224 E HN 0.404 nan 8.360 nan 0.000 0.452 225 M N -0.208 119.249 119.600 -0.238 0.000 2.159 225 M HA -0.177 4.303 4.480 0.000 0.000 0.263 225 M C 2.230 178.346 176.300 -0.306 0.000 1.063 225 M CA 1.025 56.146 55.300 -0.298 0.000 1.110 225 M CB -0.001 32.342 32.600 -0.429 0.000 1.374 225 M HN 0.044 nan 8.290 nan 0.000 0.411 226 V N 0.183 119.871 119.914 -0.377 0.000 2.270 226 V HA -0.266 3.854 4.120 0.000 0.000 0.245 226 V C 2.243 178.247 176.094 -0.150 0.000 1.043 226 V CA 2.200 64.325 62.300 -0.291 0.000 1.014 226 V CB -0.749 30.915 31.823 -0.265 0.000 0.645 226 V HN 0.542 nan 8.190 nan 0.000 0.447 227 E N 0.196 120.329 120.200 -0.111 0.000 2.219 227 E HA -0.262 4.088 4.350 0.000 0.000 0.198 227 E C 1.852 178.417 176.600 -0.059 0.000 0.998 227 E CA 1.509 57.874 56.400 -0.059 0.000 0.818 227 E CB -0.040 29.640 29.700 -0.034 0.000 0.741 227 E HN 0.697 nan 8.360 nan 0.000 0.477 228 E N -0.802 119.348 120.200 -0.082 0.000 2.479 228 E HA 0.071 4.421 4.350 0.000 0.000 0.193 228 E C 0.642 177.199 176.600 -0.072 0.000 1.049 228 E CA 0.332 56.691 56.400 -0.069 0.000 0.870 228 E CB 0.543 30.198 29.700 -0.075 0.000 0.944 228 E HN 0.419 nan 8.360 nan 0.000 0.492 229 G N 1.907 110.656 108.800 -0.085 0.000 2.295 229 G HA2 -0.273 3.687 3.960 0.000 0.000 0.287 229 G HA3 -0.273 3.687 3.960 0.000 0.000 0.287 229 G C 0.579 175.431 174.900 -0.081 0.000 1.055 229 G CA 0.336 45.391 45.100 -0.075 0.000 0.922 229 G HN 0.277 nan 8.290 nan 0.000 0.503 230 L N -1.246 119.908 121.223 -0.115 0.000 2.388 230 L HA 0.182 4.522 4.340 0.000 0.000 0.209 230 L C 1.373 178.176 176.870 -0.112 0.000 1.061 230 L CA 0.139 54.913 54.840 -0.111 0.000 0.834 230 L CB 0.077 42.054 42.059 -0.137 0.000 1.029 230 L HN 0.137 nan 8.230 nan 0.000 0.473 231 V N 1.871 121.687 119.914 -0.163 0.000 2.381 231 V HA 0.022 4.142 4.120 0.000 0.000 0.257 231 V C 1.079 177.144 176.094 -0.048 0.000 1.057 231 V CA 0.139 62.364 62.300 -0.126 0.000 1.013 231 V CB 0.376 32.036 31.823 -0.273 0.000 1.069 231 V HN 0.344 nan 8.190 nan 0.000 0.484 232 E N 3.566 123.760 120.200 -0.009 0.000 2.299 232 E HA 0.244 4.594 4.350 0.000 0.000 0.193 232 E C 0.989 177.610 176.600 0.034 0.000 0.998 232 E CA 0.663 57.066 56.400 0.006 0.000 0.851 232 E CB 0.613 30.317 29.700 0.007 0.000 0.795 232 E HN 0.794 nan 8.360 nan 0.000 0.492 233 G N 0.136 108.975 108.800 0.064 0.000 2.632 233 G HA2 0.587 4.547 3.960 0.000 0.000 0.292 233 G HA3 0.587 4.547 3.960 0.000 0.000 0.292 233 G C -1.831 173.158 174.900 0.149 0.000 1.465 233 G CA -0.097 45.057 45.100 0.089 0.000 0.824 233 G HN 0.189 nan 8.290 nan 0.000 0.509 234 A N -0.025 122.890 122.820 0.158 0.000 2.601 234 A HA 0.922 5.242 4.320 0.000 0.000 0.291 234 A C -1.169 176.459 177.584 0.073 0.000 1.075 234 A CA -0.435 51.714 52.037 0.187 0.000 0.671 234 A CB 2.041 21.283 19.000 0.403 0.000 1.277 234 A HN 1.176 nan 8.150 nan 0.000 0.417 235 Q N 0.715 120.532 119.800 0.028 0.000 2.327 235 Q HA 0.392 4.732 4.340 0.000 0.000 0.265 235 Q C -1.597 174.356 176.000 -0.077 0.000 0.993 235 Q CA -0.662 55.120 55.803 -0.034 0.000 0.885 235 Q CB 1.650 30.379 28.738 -0.016 0.000 1.379 235 Q HN 0.941 nan 8.270 nan 0.000 0.408 236 D N 2.717 123.044 120.400 -0.123 0.000 2.360 236 D HA 0.182 4.822 4.640 0.000 0.000 0.242 236 D C -0.570 175.673 176.300 -0.096 0.000 1.184 236 D CA -0.247 53.664 54.000 -0.148 0.000 0.930 236 D CB 1.003 41.706 40.800 -0.160 0.000 1.161 236 D HN 0.294 nan 8.370 nan 0.000 0.447 237 L N 0.949 122.112 121.223 -0.099 0.000 2.280 237 L HA 0.548 4.888 4.340 0.000 0.000 0.287 237 L C 0.957 177.797 176.870 -0.051 0.000 1.023 237 L CA 0.124 54.927 54.840 -0.062 0.000 0.819 237 L CB 1.444 43.468 42.059 -0.059 0.000 1.212 237 L HN 0.766 nan 8.230 nan 0.000 0.420 238 G N 1.483 110.269 108.800 -0.024 0.000 3.324 238 G HA2 0.602 4.562 3.960 0.000 0.000 0.188 238 G HA3 0.602 4.562 3.960 0.000 0.000 0.188 238 G C -0.515 174.397 174.900 0.019 0.000 1.384 238 G CA 0.089 45.185 45.100 -0.006 0.000 0.841 238 G HN 0.689 nan 8.290 nan 0.000 0.758 239 A N -0.484 122.384 122.820 0.080 0.000 2.540 239 A HA 0.474 4.794 4.320 0.000 0.000 0.239 239 A C 1.631 179.259 177.584 0.073 0.000 1.061 239 A CA 1.538 53.637 52.037 0.102 0.000 0.758 239 A CB -0.616 18.581 19.000 0.329 0.000 0.991 239 A HN 2.536 nan 8.150 nan 0.000 0.502 240 G N 1.414 110.240 108.800 0.044 0.000 2.205 240 G HA2 0.050 4.010 3.960 0.000 0.000 0.261 240 G HA3 0.050 4.010 3.960 0.000 0.000 0.261 240 G C 1.896 176.799 174.900 0.004 0.000 0.980 240 G CA 0.973 46.084 45.100 0.019 0.000 0.632 240 G HN 2.864 nan 8.290 nan 0.000 0.533 241 G N -0.730 108.071 108.800 0.002 0.000 2.652 241 G HA2 -0.260 3.700 3.960 0.000 0.000 0.318 241 G HA3 -0.260 3.700 3.960 0.000 0.000 0.318 241 G C 1.348 176.250 174.900 0.002 0.000 1.295 241 G CA 2.248 47.344 45.100 -0.006 0.000 0.999 241 G HN 1.355 nan 8.290 nan 0.000 0.548 242 V N 0.620 120.542 119.914 0.014 0.000 2.568 242 V HA -0.130 3.990 4.120 0.000 0.000 0.253 242 V C 2.802 178.937 176.094 0.069 0.000 1.072 242 V CA 2.552 64.876 62.300 0.039 0.000 1.084 242 V CB -0.594 31.257 31.823 0.046 0.000 0.676 242 V HN 0.649 nan 8.190 nan 0.000 0.469 243 L N 0.031 121.286 121.223 0.053 0.000 2.005 243 L HA -0.097 4.243 4.340 0.000 0.000 0.207 243 L C 2.508 179.328 176.870 -0.083 0.000 1.072 243 L CA 2.294 57.157 54.840 0.038 0.000 0.744 243 L CB -0.695 41.355 42.059 -0.014 0.000 0.895 243 L HN 0.234 nan 8.230 nan 0.000 0.433 244 S N 0.058 115.716 115.700 -0.071 0.000 2.382 244 S HA -0.111 4.359 4.470 0.000 0.000 0.228 244 S C 2.075 176.637 174.600 -0.063 0.000 1.027 244 S CA 1.032 59.181 58.200 -0.085 0.000 0.991 244 S CB -0.672 62.507 63.200 -0.035 0.000 0.823 244 S HN 0.685 nan 8.310 nan 0.000 0.469 245 A N 1.943 124.749 122.820 -0.023 0.000 1.845 245 A HA -0.164 4.156 4.320 0.000 0.000 0.215 245 A C 2.509 180.102 177.584 0.015 0.000 1.195 245 A CA 2.410 54.444 52.037 -0.005 0.000 0.616 245 A CB -1.655 17.351 19.000 0.009 0.000 0.832 245 A HN 0.635 nan 8.150 nan 0.000 0.443 246 T N -1.249 113.340 114.554 0.057 0.000 2.701 246 T HA -0.188 4.162 4.350 0.000 0.000 0.263 246 T C 2.134 176.897 174.700 0.104 0.000 1.040 246 T CA 2.340 64.518 62.100 0.129 0.000 1.147 246 T CB -1.157 67.861 68.868 0.250 0.000 0.865 246 T HN 0.744 nan 8.240 nan 0.000 0.426 247 S N 1.909 117.554 115.700 -0.091 0.000 2.370 247 S HA -0.192 4.278 4.470 0.000 0.000 0.226 247 S C 2.053 176.554 174.600 -0.166 0.000 1.033 247 S CA 1.423 59.381 58.200 -0.404 0.000 1.011 247 S CB -0.670 62.012 63.200 -0.863 0.000 0.852 247 S HN 0.710 nan 8.310 nan 0.000 0.457 248 E N 1.072 121.201 120.200 -0.117 0.000 2.051 248 E HA 0.107 4.457 4.350 0.000 0.000 0.189 248 E C 2.162 178.745 176.600 -0.029 0.000 0.979 248 E CA 0.810 57.168 56.400 -0.070 0.000 0.803 248 E CB -0.317 29.341 29.700 -0.069 0.000 0.761 248 E HN 0.429 nan 8.360 nan 0.000 0.451 249 L N 0.926 122.145 121.223 -0.006 0.000 2.043 249 L HA -0.226 4.114 4.340 0.000 0.000 0.212 249 L C 2.615 179.499 176.870 0.023 0.000 1.075 249 L CA 1.337 56.187 54.840 0.017 0.000 0.752 249 L CB -0.504 41.579 42.059 0.040 0.000 0.891 249 L HN 0.189 nan 8.230 nan 0.000 0.432 250 V N -4.101 115.833 119.914 0.034 0.000 2.500 250 V HA 0.069 4.189 4.120 0.000 0.000 0.243 250 V C 2.545 178.654 176.094 0.025 0.000 1.039 250 V CA 0.989 63.314 62.300 0.041 0.000 1.053 250 V CB -0.929 30.938 31.823 0.073 0.000 0.695 250 V HN 0.248 nan 8.190 nan 0.000 0.463 251 A N 0.863 123.688 122.820 0.009 0.000 1.927 251 A HA -0.275 4.045 4.320 0.000 0.000 0.220 251 A C 2.298 179.880 177.584 -0.004 0.000 1.185 251 A CA 2.585 54.621 52.037 -0.002 0.000 0.639 251 A CB -0.765 18.217 19.000 -0.029 0.000 0.820 251 A HN 0.625 nan 8.150 nan 0.000 0.451 252 K N -1.216 119.178 120.400 -0.011 0.000 2.280 252 K HA -0.080 4.240 4.320 0.000 0.000 0.202 252 K C 1.620 178.218 176.600 -0.003 0.000 1.047 252 K CA 0.864 57.143 56.287 -0.013 0.000 0.942 252 K CB -0.235 32.254 32.500 -0.019 0.000 0.739 252 K HN 0.497 nan 8.250 nan 0.000 0.457 253 G N 0.355 109.159 108.800 0.007 0.000 3.088 253 G HA2 -0.068 3.892 3.960 0.000 0.000 0.217 253 G HA3 -0.068 3.892 3.960 0.000 0.000 0.217 253 G C -0.161 174.747 174.900 0.014 0.000 1.159 253 G CA -0.375 44.732 45.100 0.011 0.000 0.760 253 G HN 0.226 nan 8.290 nan 0.000 0.550 254 N N -0.818 117.890 118.700 0.013 0.000 2.725 254 N HA -0.142 4.598 4.740 0.000 0.000 0.249 254 N C 0.065 175.589 175.510 0.024 0.000 1.103 254 N CA 0.937 53.997 53.050 0.017 0.000 0.707 254 N CB -1.379 37.115 38.487 0.012 0.000 1.043 254 N HN 0.370 nan 8.380 nan 0.000 0.553 255 L N -1.264 119.977 121.223 0.029 0.000 2.343 255 L HA 0.877 5.217 4.340 0.000 0.000 0.264 255 L C 1.401 178.301 176.870 0.050 0.000 1.050 255 L CA -0.616 54.245 54.840 0.035 0.000 0.956 255 L CB 1.110 43.189 42.059 0.033 0.000 1.576 255 L HN 0.062 nan 8.230 nan 0.000 0.521 256 G N -1.240 107.592 108.800 0.053 0.000 3.140 256 G HA2 0.833 4.793 3.960 0.000 0.000 0.271 256 G HA3 0.833 4.793 3.960 0.000 0.000 0.271 256 G C -1.937 173.006 174.900 0.071 0.000 1.370 256 G CA -0.292 44.852 45.100 0.073 0.000 1.014 256 G HN 0.781 nan 8.290 nan 0.000 0.541 257 A N -0.597 122.260 122.820 0.062 0.000 2.532 257 A HA 0.599 4.919 4.320 0.000 0.000 0.296 257 A C -1.198 176.298 177.584 -0.147 0.000 1.058 257 A CA -0.502 51.536 52.037 0.002 0.000 0.729 257 A CB 0.887 19.939 19.000 0.085 0.000 1.285 257 A HN 0.618 nan 8.150 nan 0.000 0.396 258 I N 3.052 123.517 120.570 -0.175 0.000 2.307 258 I HA 0.299 4.469 4.170 0.000 0.000 0.287 258 I C -0.473 175.333 176.117 -0.518 0.000 1.054 258 I CA -0.708 60.403 61.300 -0.316 0.000 1.218 258 I CB 1.317 39.197 38.000 -0.201 0.000 1.398 258 I HN 0.338 nan 8.210 nan 0.000 0.475 259 V N 5.859 125.442 119.914 -0.551 0.000 2.432 259 V HA 0.205 4.325 4.120 0.000 0.000 0.275 259 V C 0.153 175.940 176.094 -0.512 0.000 1.043 259 V CA -0.533 61.494 62.300 -0.455 0.000 0.925 259 V CB 0.825 32.444 31.823 -0.339 0.000 0.985 259 V HN 0.538 nan 8.190 nan 0.000 0.466 260 H N 6.025 125.051 119.070 -0.074 0.000 2.680 260 H HA 0.237 4.793 4.556 0.000 0.000 0.260 260 H C 0.566 175.834 175.328 -0.100 0.000 1.328 260 H CA -0.741 55.253 56.048 -0.090 0.000 1.269 260 H CB 1.347 31.053 29.762 -0.093 0.000 1.446 260 H HN 0.414 nan 8.280 nan 0.000 0.527 261 L N 2.269 123.492 121.223 -0.000 0.000 2.137 261 L HA -0.241 4.099 4.340 0.000 0.000 0.213 261 L C 2.198 179.009 176.870 -0.097 0.000 1.085 261 L CA 1.639 56.496 54.840 0.028 0.000 0.760 261 L CB -0.516 41.668 42.059 0.208 0.000 0.893 261 L HN 0.654 nan 8.230 nan 0.000 0.434 262 D N -1.372 118.777 120.400 -0.418 0.000 2.264 262 D HA -0.201 4.439 4.640 0.000 0.000 0.208 262 D C 1.555 177.734 176.300 -0.202 0.000 0.966 262 D CA 0.571 54.230 54.000 -0.569 0.000 0.864 262 D CB -0.215 40.107 40.800 -0.797 0.000 0.933 262 D HN 0.270 nan 8.370 nan 0.000 0.499 263 R N 0.665 121.106 120.500 -0.097 0.000 2.313 263 R HA 0.161 4.501 4.340 0.000 0.000 0.199 263 R C 0.262 176.570 176.300 0.013 0.000 0.958 263 R CA -0.124 55.960 56.100 -0.027 0.000 1.047 263 R CB -0.201 30.107 30.300 0.013 0.000 0.955 263 R HN 0.136 nan 8.270 nan 0.000 0.481 264 V N 5.702 125.623 119.914 0.012 0.000 2.405 264 V HA 0.118 4.238 4.120 0.000 0.000 0.264 264 V C -1.934 174.174 176.094 0.023 0.000 1.048 264 V CA -1.572 60.749 62.300 0.034 0.000 0.966 264 V CB 1.059 32.902 31.823 0.034 0.000 1.015 264 V HN 0.021 nan 8.190 nan 0.000 0.477 265 P HA 0.147 nan 4.420 nan 0.000 0.265 265 P C -0.961 176.298 177.300 -0.068 0.000 1.222 265 P CA -0.096 63.002 63.100 -0.003 0.000 0.767 265 P CB 0.781 32.525 31.700 0.074 0.000 0.801 266 L N 3.767 124.935 121.223 -0.093 0.000 2.358 266 L HA 0.445 4.785 4.340 0.000 0.000 0.268 266 L C 1.976 178.744 176.870 -0.170 0.000 1.032 266 L CA -0.532 54.245 54.840 -0.104 0.000 0.805 266 L CB 0.759 42.785 42.059 -0.055 0.000 1.253 266 L HN 0.445 nan 8.230 nan 0.000 0.452 267 R N 0.453 120.868 120.500 -0.142 0.000 2.123 267 R HA 0.133 4.473 4.340 0.000 0.000 0.209 267 R C -0.302 175.942 176.300 -0.094 0.000 1.078 267 R CA 0.469 56.483 56.100 -0.143 0.000 1.028 267 R CB 0.611 30.849 30.300 -0.104 0.000 0.939 267 R HN 0.690 nan 8.270 nan 0.000 0.463 268 E N 1.666 121.821 120.200 -0.074 0.000 2.070 268 E HA 0.189 4.539 4.350 0.000 0.000 0.261 268 E C -2.206 174.364 176.600 -0.050 0.000 0.926 268 E CA -2.014 54.351 56.400 -0.057 0.000 0.760 268 E CB 1.869 31.535 29.700 -0.056 0.000 1.133 268 E HN 0.189 nan 8.360 nan 0.000 0.420 269 P HA -0.189 nan 4.420 nan 0.000 0.223 269 P C 0.412 177.708 177.300 -0.006 0.000 1.144 269 P CA 1.125 64.215 63.100 -0.018 0.000 0.783 269 P CB 0.126 31.817 31.700 -0.016 0.000 0.771 270 D N -3.077 117.309 120.400 -0.023 0.000 2.339 270 D HA 0.011 4.651 4.640 0.000 0.000 0.217 270 D C 0.657 176.925 176.300 -0.053 0.000 1.050 270 D CA -0.034 53.948 54.000 -0.029 0.000 0.856 270 D CB -0.609 40.176 40.800 -0.025 0.000 0.922 270 D HN 0.042 nan 8.370 nan 0.000 0.518 271 M N 1.227 120.789 119.600 -0.064 0.000 2.246 271 M HA 0.018 4.498 4.480 0.000 0.000 0.327 271 M C 0.378 176.595 176.300 -0.138 0.000 1.090 271 M CA 0.781 56.012 55.300 -0.115 0.000 1.087 271 M CB 0.579 33.106 32.600 -0.122 0.000 1.587 271 M HN 0.070 nan 8.290 nan 0.000 0.444 272 E N 2.880 122.958 120.200 -0.205 0.000 2.283 272 E HA 0.143 4.493 4.350 0.000 0.000 0.267 272 E C -1.837 174.661 176.600 -0.170 0.000 1.045 272 E CA -1.797 54.505 56.400 -0.163 0.000 0.884 272 E CB 0.645 30.365 29.700 0.034 0.000 1.106 272 E HN 0.385 nan 8.360 nan 0.000 0.408 273 P HA -0.232 nan 4.420 nan 0.000 0.216 273 P C 1.061 178.430 177.300 0.114 0.000 1.154 273 P CA 1.428 64.580 63.100 0.087 0.000 0.865 273 P CB -0.079 31.702 31.700 0.135 0.000 0.789 274 W N 0.655 122.007 121.300 0.088 0.000 2.388 274 W HA -0.053 4.607 4.660 -0.000 0.000 0.294 274 W C 1.270 177.833 176.519 0.073 0.000 1.212 274 W CA 0.990 58.391 57.345 0.093 0.000 1.271 274 W CB -1.340 28.218 29.460 0.162 0.000 1.126 274 W HN 0.070 nan 8.180 nan 0.000 0.535 275 E N 1.104 120.655 120.200 -1.081 0.000 2.072 275 E HA -0.166 4.184 4.350 0.000 0.000 0.191 275 E C 2.320 178.679 176.600 -0.401 0.000 0.985 275 E CA 1.813 57.597 56.400 -1.026 0.000 0.801 275 E CB -0.330 28.805 29.700 -0.941 0.000 0.750 275 E HN 0.285 nan 8.360 nan 0.000 0.452 276 I N 0.773 121.206 120.570 -0.228 0.000 2.226 276 I HA -0.243 3.927 4.170 0.000 0.000 0.245 276 I C 2.497 178.596 176.117 -0.030 0.000 1.100 276 I CA 0.542 61.796 61.300 -0.077 0.000 1.374 276 I CB -0.157 37.861 38.000 0.031 0.000 1.057 276 I HN 0.124 nan 8.210 nan 0.000 0.413 277 L N 1.507 122.732 121.223 0.003 0.000 2.027 277 L HA -0.115 4.225 4.340 0.000 0.000 0.206 277 L C 2.109 179.001 176.870 0.037 0.000 1.074 277 L CA 1.884 56.758 54.840 0.056 0.000 0.745 277 L CB -0.310 41.819 42.059 0.117 0.000 0.898 277 L HN 0.306 nan 8.230 nan 0.000 0.433 278 I N -3.538 117.044 120.570 0.019 0.000 3.956 278 I HA 0.203 4.373 4.170 0.000 0.000 0.333 278 I C 1.058 177.162 176.117 -0.022 0.000 1.302 278 I CA -0.183 61.129 61.300 0.019 0.000 1.122 278 I CB -0.318 37.731 38.000 0.082 0.000 1.013 278 I HN 0.146 nan 8.210 nan 0.000 0.405 279 S N 2.361 118.019 115.700 -0.069 0.000 2.558 279 S HA 0.010 4.480 4.470 0.000 0.000 0.288 279 S C 0.601 175.174 174.600 -0.044 0.000 1.318 279 S CA 0.186 58.338 58.200 -0.081 0.000 1.056 279 S CB 0.269 63.411 63.200 -0.098 0.000 0.853 279 S HN 0.551 nan 8.310 nan 0.000 0.505 280 E N 2.787 122.961 120.200 -0.043 0.000 2.939 280 E HA 0.168 4.518 4.350 0.000 0.000 0.215 280 E C -0.388 176.191 176.600 -0.034 0.000 1.025 280 E CA -0.296 56.084 56.400 -0.034 0.000 1.259 280 E CB 0.590 30.269 29.700 -0.034 0.000 1.228 280 E HN 0.501 nan 8.360 nan 0.000 0.443 281 S N 1.895 117.575 115.700 -0.033 0.000 2.558 281 S HA -0.019 4.451 4.470 0.000 0.000 0.288 281 S C 0.564 175.152 174.600 -0.020 0.000 1.318 281 S CA 0.216 58.402 58.200 -0.023 0.000 1.056 281 S CB 0.734 63.923 63.200 -0.020 0.000 0.853 281 S HN 0.278 nan 8.310 nan 0.000 0.505 282 Q N 0.976 120.770 119.800 -0.009 0.000 2.222 282 Q HA 0.281 4.621 4.340 0.000 0.000 0.211 282 Q C -0.374 175.621 176.000 -0.008 0.000 1.013 282 Q CA -0.694 55.103 55.803 -0.010 0.000 0.993 282 Q CB 0.236 28.980 28.738 0.010 0.000 1.151 282 Q HN 0.587 nan 8.270 nan 0.000 0.544 283 E N 0.277 120.467 120.200 -0.016 0.000 2.230 283 E HA -0.238 4.112 4.350 0.000 0.000 0.206 283 E C -1.238 175.304 176.600 -0.097 0.000 1.309 283 E CA 0.752 57.132 56.400 -0.035 0.000 0.697 283 E CB -1.101 28.607 29.700 0.013 0.000 1.146 283 E HN 0.280 nan 8.360 nan 0.000 0.363 284 R N 0.031 120.443 120.500 -0.147 0.000 2.621 284 R HA 0.705 5.045 4.340 0.000 0.000 0.284 284 R C -0.734 175.392 176.300 -0.290 0.000 0.998 284 R CA -1.126 54.847 56.100 -0.211 0.000 0.895 284 R CB 1.596 31.834 30.300 -0.104 0.000 1.195 284 R HN 0.126 nan 8.270 nan 0.000 0.450 285 M N 1.743 121.056 119.600 -0.478 0.000 2.457 285 M HA 0.600 5.080 4.480 0.000 0.000 0.300 285 M C -1.628 174.594 176.300 -0.131 0.000 1.141 285 M CA -0.353 54.709 55.300 -0.397 0.000 0.901 285 M CB 2.384 34.611 32.600 -0.620 0.000 1.687 285 M HN 0.715 nan 8.290 nan 0.000 0.449 286 A N 4.082 126.915 122.820 0.022 0.000 2.271 286 A HA 0.733 5.053 4.320 0.000 0.000 0.317 286 A C -1.328 176.402 177.584 0.242 0.000 1.245 286 A CA -0.629 51.491 52.037 0.139 0.000 0.857 286 A CB 0.567 19.614 19.000 0.078 0.000 1.175 286 A HN 0.670 nan 8.150 nan 0.000 0.512 287 V N 4.333 124.436 119.914 0.315 0.000 2.334 287 V HA 0.243 4.363 4.120 0.000 0.000 0.281 287 V C -0.031 176.162 176.094 0.165 0.000 1.016 287 V CA -0.500 61.980 62.300 0.300 0.000 0.832 287 V CB 1.366 33.371 31.823 0.303 0.000 0.999 287 V HN 0.639 nan 8.190 nan 0.000 0.439 288 V N 5.857 125.851 119.914 0.135 0.000 2.488 288 V HA 0.637 4.757 4.120 0.000 0.000 0.277 288 V C 0.619 176.746 176.094 0.055 0.000 1.046 288 V CA 0.271 62.622 62.300 0.084 0.000 0.986 288 V CB 1.150 33.016 31.823 0.072 0.000 0.989 288 V HN 1.102 nan 8.190 nan 0.000 0.475 289 T N 0.785 115.361 114.554 0.037 0.000 2.645 289 T HA 0.546 4.896 4.350 0.000 0.000 0.300 289 T C -0.305 174.402 174.700 0.011 0.000 1.210 289 T CA -0.341 61.766 62.100 0.012 0.000 1.034 289 T CB 1.641 70.504 68.868 -0.007 0.000 1.537 289 T HN 0.729 nan 8.240 nan 0.000 0.492 290 S N 0.167 115.867 115.700 -0.000 0.000 2.541 290 S HA 0.511 4.981 4.470 0.000 0.000 0.283 290 S C -2.052 172.548 174.600 0.000 0.000 1.196 290 S CA -1.259 56.942 58.200 0.001 0.000 1.062 290 S CB 0.995 64.192 63.200 -0.004 0.000 1.009 290 S HN 0.507 nan 8.310 nan 0.000 0.502 291 P HA -0.204 nan 4.420 nan 0.000 0.218 291 P C 1.050 178.347 177.300 -0.004 0.000 1.152 291 P CA 1.488 64.590 63.100 0.004 0.000 0.857 291 P CB -0.071 31.632 31.700 0.006 0.000 0.787 292 Q N -0.561 119.235 119.800 -0.007 0.000 2.291 292 Q HA -0.104 4.236 4.340 0.000 0.000 0.206 292 Q C 1.698 177.687 176.000 -0.019 0.000 0.976 292 Q CA 1.326 57.122 55.803 -0.012 0.000 0.875 292 Q CB -0.556 28.175 28.738 -0.011 0.000 0.927 292 Q HN 0.350 nan 8.270 nan 0.000 0.450 293 K N -0.196 120.190 120.400 -0.022 0.000 2.352 293 K HA 0.256 4.576 4.320 0.000 0.000 0.194 293 K C 1.946 178.521 176.600 -0.042 0.000 1.038 293 K CA 0.476 56.741 56.287 -0.035 0.000 1.023 293 K CB 0.155 32.630 32.500 -0.042 0.000 0.840 293 K HN 0.152 nan 8.250 nan 0.000 0.519 294 A N 1.411 124.214 122.820 -0.028 0.000 1.958 294 A HA -0.274 4.046 4.320 0.000 0.000 0.221 294 A C 2.227 179.791 177.584 -0.034 0.000 1.178 294 A CA 2.286 54.307 52.037 -0.026 0.000 0.642 294 A CB -0.801 18.196 19.000 -0.004 0.000 0.816 294 A HN 0.282 nan 8.150 nan 0.000 0.453 295 S N -0.937 114.746 115.700 -0.029 0.000 2.351 295 S HA -0.232 4.238 4.470 0.000 0.000 0.220 295 S C 2.290 176.866 174.600 -0.040 0.000 1.035 295 S CA 1.505 59.689 58.200 -0.027 0.000 1.031 295 S CB -0.387 62.800 63.200 -0.022 0.000 0.928 295 S HN 0.576 nan 8.310 nan 0.000 0.433 296 R N 0.534 121.004 120.500 -0.050 0.000 2.073 296 R HA -0.037 4.303 4.340 0.000 0.000 0.234 296 R C 2.324 178.567 176.300 -0.094 0.000 1.134 296 R CA 1.434 57.497 56.100 -0.061 0.000 0.952 296 R CB -0.921 29.342 30.300 -0.062 0.000 0.850 296 R HN 0.469 nan 8.270 nan 0.000 0.433 297 I N 1.325 121.822 120.570 -0.121 0.000 2.145 297 I HA -0.323 3.847 4.170 0.000 0.000 0.244 297 I C 2.396 178.389 176.117 -0.208 0.000 1.075 297 I CA 1.554 62.732 61.300 -0.203 0.000 1.332 297 I CB -1.007 36.888 38.000 -0.175 0.000 1.033 297 I HN 0.195 nan 8.210 nan 0.000 0.410 298 L N -0.179 120.979 121.223 -0.108 0.000 2.109 298 L HA -0.150 4.190 4.340 0.000 0.000 0.207 298 L C 2.551 179.396 176.870 -0.042 0.000 1.086 298 L CA 0.971 55.777 54.840 -0.057 0.000 0.760 298 L CB -0.496 41.556 42.059 -0.012 0.000 0.910 298 L HN 0.292 nan 8.230 nan 0.000 0.437 299 E N 1.139 121.312 120.200 -0.043 0.000 2.028 299 E HA -0.211 4.139 4.350 0.000 0.000 0.191 299 E C 2.344 178.934 176.600 -0.017 0.000 0.988 299 E CA 1.196 57.581 56.400 -0.027 0.000 0.799 299 E CB -0.007 29.677 29.700 -0.027 0.000 0.755 299 E HN 0.404 nan 8.360 nan 0.000 0.447 300 I N 1.186 121.737 120.570 -0.033 0.000 2.194 300 I HA -0.317 3.853 4.170 0.000 0.000 0.246 300 I C 2.603 178.770 176.117 0.085 0.000 1.093 300 I CA 1.115 62.428 61.300 0.021 0.000 1.355 300 I CB -0.477 37.480 38.000 -0.072 0.000 1.046 300 I HN 0.221 nan 8.210 nan 0.000 0.413 301 A N 1.083 123.878 122.820 -0.043 0.000 1.835 301 A HA -0.210 4.110 4.320 0.000 0.000 0.215 301 A C 2.391 180.019 177.584 0.074 0.000 1.199 301 A CA 1.627 53.678 52.037 0.023 0.000 0.615 301 A CB -0.690 18.298 19.000 -0.020 0.000 0.838 301 A HN 0.263 nan 8.150 nan 0.000 0.444 302 R N 0.340 120.847 120.500 0.012 0.000 2.103 302 R HA -0.200 4.140 4.340 0.000 0.000 0.242 302 R C 2.214 178.488 176.300 -0.042 0.000 1.142 302 R CA 1.980 58.059 56.100 -0.035 0.000 0.960 302 R CB -0.434 29.854 30.300 -0.019 0.000 0.858 302 R HN 0.780 nan 8.270 nan 0.000 0.439 303 K N -0.412 119.973 120.400 -0.024 0.000 2.442 303 K HA -0.122 4.198 4.320 0.000 0.000 0.198 303 K C 0.888 177.382 176.600 -0.177 0.000 1.042 303 K CA 1.381 57.615 56.287 -0.088 0.000 0.958 303 K CB 0.050 32.494 32.500 -0.092 0.000 0.766 303 K HN 0.365 nan 8.250 nan 0.000 0.474 304 H N 0.502 119.550 119.070 -0.036 0.000 2.529 304 H HA 0.154 4.710 4.556 0.000 0.000 0.277 304 H C -0.213 175.088 175.328 -0.043 0.000 1.004 304 H CA 0.119 56.158 56.048 -0.014 0.000 1.167 304 H CB 0.519 30.298 29.762 0.028 0.000 1.445 304 H HN 0.068 nan 8.280 nan 0.000 0.554 305 L N -0.231 120.965 121.223 -0.045 0.000 3.898 305 L HA -0.242 4.098 4.340 0.000 0.000 0.407 305 L C -0.244 176.440 176.870 -0.310 0.000 1.207 305 L CA 0.599 55.344 54.840 -0.159 0.000 0.931 305 L CB -2.260 39.748 42.059 -0.085 0.000 2.014 305 L HN 0.160 nan 8.230 nan 0.000 0.858 306 L N -1.550 119.516 121.223 -0.263 0.000 2.331 306 L HA 0.713 5.053 4.340 0.000 0.000 0.268 306 L C 0.141 176.715 176.870 -0.494 0.000 1.015 306 L CA -0.813 53.858 54.840 -0.282 0.000 0.807 306 L CB 1.262 43.389 42.059 0.115 0.000 1.293 306 L HN -0.147 nan 8.230 nan 0.000 0.451 307 F N -0.583 119.454 119.950 0.146 0.000 2.522 307 F HA 0.836 5.363 4.527 0.000 0.000 0.324 307 F C 0.567 176.465 175.800 0.163 0.000 1.077 307 F CA -0.681 57.391 58.000 0.121 0.000 0.944 307 F CB 2.101 41.149 39.000 0.080 0.000 1.175 307 F HN 0.408 nan 8.300 nan 0.000 0.468 308 G N 0.841 109.827 108.800 0.309 0.000 2.579 308 G HA2 0.489 4.449 3.960 0.000 0.000 0.292 308 G HA3 0.489 4.449 3.960 0.000 0.000 0.292 308 G C -2.507 172.499 174.900 0.176 0.000 1.484 308 G CA -0.524 44.736 45.100 0.266 0.000 0.813 308 G HN 0.528 nan 8.290 nan 0.000 0.515 309 D N -1.125 119.364 120.400 0.149 0.000 2.665 309 D HA 0.405 5.045 4.640 0.000 0.000 0.287 309 D C -0.746 175.610 176.300 0.093 0.000 1.266 309 D CA -0.314 53.744 54.000 0.097 0.000 0.830 309 D CB 2.559 43.404 40.800 0.076 0.000 1.356 309 D HN 0.269 nan 8.370 nan 0.000 0.437 310 V N 2.448 122.402 119.914 0.067 0.000 2.338 310 V HA 0.097 4.217 4.120 0.000 0.000 0.255 310 V C 1.416 177.561 176.094 0.086 0.000 1.082 310 V CA -0.136 62.206 62.300 0.070 0.000 0.951 310 V CB 0.764 32.617 31.823 0.049 0.000 1.102 310 V HN 0.417 nan 8.190 nan 0.000 0.489 311 V N 3.744 123.715 119.914 0.096 0.000 2.379 311 V HA 0.152 4.272 4.120 0.000 0.000 0.243 311 V C 1.198 177.354 176.094 0.103 0.000 1.035 311 V CA 1.605 63.963 62.300 0.097 0.000 1.035 311 V CB -0.236 31.633 31.823 0.076 0.000 0.673 311 V HN 0.818 nan 8.190 nan 0.000 0.457 312 A N -0.315 122.547 122.820 0.070 0.000 2.344 312 A HA 0.772 5.092 4.320 0.000 0.000 0.307 312 A C -0.717 176.898 177.584 0.052 0.000 1.151 312 A CA -0.630 51.415 52.037 0.014 0.000 0.842 312 A CB 1.262 20.256 19.000 -0.009 0.000 1.350 312 A HN 0.388 nan 8.150 nan 0.000 0.459 313 E N -0.057 120.153 120.200 0.016 0.000 2.263 313 E HA 0.431 4.781 4.350 0.000 0.000 0.268 313 E C -1.583 175.029 176.600 0.021 0.000 0.884 313 E CA -0.731 55.693 56.400 0.039 0.000 0.766 313 E CB 2.253 31.994 29.700 0.068 0.000 1.196 313 E HN 0.312 nan 8.360 nan 0.000 0.416 314 V N 5.075 125.008 119.914 0.032 0.000 2.470 314 V HA 0.211 4.331 4.120 0.000 0.000 0.276 314 V C 0.411 176.522 176.094 0.027 0.000 1.040 314 V CA -0.036 62.284 62.300 0.033 0.000 1.008 314 V CB -0.272 31.573 31.823 0.036 0.000 0.990 314 V HN 0.517 nan 8.190 nan 0.000 0.477 315 I N 1.066 121.652 120.570 0.026 0.000 2.750 315 I HA 0.573 4.743 4.170 0.000 0.000 0.308 315 I C 0.982 177.114 176.117 0.026 0.000 1.016 315 I CA -0.691 60.623 61.300 0.023 0.000 1.098 315 I CB 1.989 39.999 38.000 0.017 0.000 1.279 315 I HN 0.508 nan 8.210 nan 0.000 0.454 316 E N 1.836 122.050 120.200 0.023 0.000 2.106 316 E HA -0.153 4.197 4.350 0.000 0.000 0.192 316 E C 0.700 177.316 176.600 0.026 0.000 0.984 316 E CA 0.591 57.005 56.400 0.023 0.000 0.806 316 E CB 0.225 29.936 29.700 0.019 0.000 0.750 316 E HN 0.735 nan 8.360 nan 0.000 0.458 317 E N 1.917 122.133 120.200 0.026 0.000 2.351 317 E HA -0.016 4.334 4.350 0.000 0.000 0.266 317 E C -1.960 174.663 176.600 0.039 0.000 1.031 317 E CA -1.634 54.784 56.400 0.029 0.000 0.911 317 E CB 0.748 30.464 29.700 0.026 0.000 0.986 317 E HN 0.056 nan 8.360 nan 0.000 0.446 318 P HA -0.044 nan 4.420 nan 0.000 0.277 318 P C -0.240 177.105 177.300 0.076 0.000 1.617 318 P CA 0.205 63.339 63.100 0.056 0.000 0.829 318 P CB -0.560 31.169 31.700 0.049 0.000 1.774 319 V N -2.823 117.137 119.914 0.076 0.000 2.732 319 V HA 0.484 4.604 4.120 0.000 0.000 0.310 319 V C -0.826 175.348 176.094 0.134 0.000 1.053 319 V CA -1.315 61.041 62.300 0.094 0.000 0.957 319 V CB 1.835 33.692 31.823 0.056 0.000 1.018 319 V HN -0.023 nan 8.190 nan 0.000 0.452 320 Y N 3.615 123.917 120.300 0.004 0.000 2.712 320 Y HA 0.536 5.086 4.550 0.000 0.000 0.328 320 Y C 0.355 176.244 175.900 -0.018 0.000 0.995 320 Y CA -0.802 57.288 58.100 -0.017 0.000 1.283 320 Y CB 0.750 39.191 38.460 -0.031 0.000 1.092 320 Y HN 0.844 nan 8.280 nan 0.000 0.519 321 R N 5.520 125.838 120.500 -0.303 0.000 2.287 321 R HA 0.468 4.808 4.340 0.000 0.000 0.327 321 R C -1.408 174.655 176.300 -0.394 0.000 1.109 321 R CA -0.367 55.581 56.100 -0.254 0.000 1.013 321 R CB 0.172 30.386 30.300 -0.143 0.000 1.126 321 R HN 0.455 nan 8.270 nan 0.000 0.503 322 V N 6.028 125.730 119.914 -0.353 0.000 2.530 322 V HA 0.272 4.392 4.120 0.000 0.000 0.282 322 V C 0.536 176.560 176.094 -0.115 0.000 1.048 322 V CA -0.030 62.103 62.300 -0.278 0.000 0.997 322 V CB 1.271 33.021 31.823 -0.123 0.000 0.987 322 V HN 0.720 nan 8.190 nan 0.000 0.477 323 M N 4.335 123.877 119.600 -0.096 0.000 2.619 323 M HA 0.438 4.918 4.480 0.000 0.000 0.297 323 M C -1.324 175.045 176.300 0.114 0.000 1.229 323 M CA -0.634 54.682 55.300 0.027 0.000 0.860 323 M CB 2.453 35.078 32.600 0.043 0.000 1.741 323 M HN 0.712 nan 8.290 nan 0.000 0.462 324 Y N 2.050 122.385 120.300 0.059 0.000 2.681 324 Y HA 0.487 5.037 4.550 -0.000 0.000 0.347 324 Y C 0.205 176.142 175.900 0.061 0.000 1.029 324 Y CA 0.068 58.205 58.100 0.061 0.000 1.279 324 Y CB 0.474 38.964 38.460 0.050 0.000 1.096 324 Y HN 0.906 nan 8.280 nan 0.000 0.580 325 R N 0.493 120.949 120.500 -0.073 0.000 4.067 325 R HA -0.285 4.055 4.340 0.000 0.000 0.316 325 R C 0.232 176.570 176.300 0.063 0.000 0.241 325 R CA 1.289 57.376 56.100 -0.022 0.000 1.056 325 R CB -1.035 29.284 30.300 0.032 0.000 1.069 325 R HN 0.610 nan 8.270 nan 0.000 0.528 326 N N 1.547 120.287 118.700 0.066 0.000 2.398 326 N HA 0.024 4.764 4.740 0.000 0.000 0.188 326 N C -0.851 174.708 175.510 0.081 0.000 1.122 326 N CA 0.541 53.630 53.050 0.065 0.000 0.866 326 N CB 0.068 38.581 38.487 0.043 0.000 0.970 326 N HN 0.249 nan 8.380 nan 0.000 0.462 327 D N 1.332 121.802 120.400 0.117 0.000 2.336 327 D HA 0.052 4.692 4.640 0.000 0.000 0.249 327 D C 0.071 176.437 176.300 0.109 0.000 1.213 327 D CA -0.356 53.715 54.000 0.118 0.000 0.870 327 D CB 0.832 41.727 40.800 0.157 0.000 1.076 327 D HN -0.008 nan 8.370 nan 0.000 0.483 328 L N 4.467 125.735 121.223 0.075 0.000 2.456 328 L HA 0.026 4.366 4.340 0.000 0.000 0.277 328 L C 0.489 177.401 176.870 0.071 0.000 1.124 328 L CA 0.367 55.243 54.840 0.059 0.000 0.880 328 L CB 0.585 42.669 42.059 0.042 0.000 1.192 328 L HN 0.284 nan 8.230 nan 0.000 0.463 329 V N 5.176 125.137 119.914 0.078 0.000 2.374 329 V HA 0.151 4.271 4.120 0.000 0.000 0.241 329 V C 0.877 177.022 176.094 0.086 0.000 1.034 329 V CA 1.329 63.689 62.300 0.099 0.000 1.037 329 V CB -0.326 31.573 31.823 0.127 0.000 0.682 329 V HN 0.845 nan 8.190 nan 0.000 0.463 330 M N -0.125 119.510 119.600 0.057 0.000 2.414 330 M HA 0.492 4.972 4.480 0.000 0.000 0.287 330 M C -2.032 174.290 176.300 0.038 0.000 1.181 330 M CA -0.382 54.957 55.300 0.065 0.000 0.933 330 M CB 2.704 35.362 32.600 0.096 0.000 1.732 330 M HN 0.212 nan 8.290 nan 0.000 0.486 331 E N 3.557 123.795 120.200 0.063 0.000 2.274 331 E HA 0.690 5.040 4.350 0.000 0.000 0.269 331 E C -1.979 174.684 176.600 0.105 0.000 0.891 331 E CA -0.716 55.719 56.400 0.058 0.000 0.784 331 E CB 2.157 31.876 29.700 0.033 0.000 1.225 331 E HN 0.634 nan 8.360 nan 0.000 0.412 332 V N 0.494 120.498 119.914 0.149 0.000 3.216 332 V HA 0.672 4.792 4.120 0.000 0.000 0.302 332 V C -2.876 173.325 176.094 0.178 0.000 1.286 332 V CA -2.566 59.841 62.300 0.178 0.000 1.048 332 V CB 1.559 33.544 31.823 0.269 0.000 1.081 332 V HN 0.532 nan 8.190 nan 0.000 0.442 333 P HA 0.296 nan 4.420 nan 0.000 0.270 333 P C 1.094 178.482 177.300 0.146 0.000 1.242 333 P CA 0.149 63.333 63.100 0.141 0.000 0.768 333 P CB 1.205 32.981 31.700 0.126 0.000 0.820 334 V N 3.244 123.238 119.914 0.132 0.000 2.313 334 V HA -0.320 3.800 4.120 0.000 0.000 0.253 334 V C 2.375 178.491 176.094 0.037 0.000 1.070 334 V CA 2.026 64.368 62.300 0.071 0.000 1.057 334 V CB -0.867 31.009 31.823 0.088 0.000 0.653 334 V HN 0.563 nan 8.190 nan 0.000 0.450 335 Q N -1.008 118.835 119.800 0.073 0.000 2.170 335 Q HA -0.160 4.180 4.340 0.000 0.000 0.203 335 Q C 1.892 177.980 176.000 0.146 0.000 0.976 335 Q CA 1.432 57.282 55.803 0.078 0.000 0.858 335 Q CB -0.449 28.328 28.738 0.065 0.000 0.907 335 Q HN 0.589 nan 8.270 nan 0.000 0.433 336 L N -0.576 120.776 121.223 0.215 0.000 2.046 336 L HA -0.117 4.223 4.340 0.000 0.000 0.208 336 L C 1.792 179.025 176.870 0.606 0.000 1.077 336 L CA 1.605 56.685 54.840 0.400 0.000 0.747 336 L CB -0.496 41.802 42.059 0.398 0.000 0.896 336 L HN 0.303 nan 8.230 nan 0.000 0.432 337 L N -0.896 120.492 121.223 0.274 0.000 2.017 337 L HA -0.203 4.137 4.340 0.000 0.000 0.208 337 L C 2.646 179.595 176.870 0.132 0.000 1.073 337 L CA 1.298 56.093 54.840 -0.076 0.000 0.745 337 L CB -0.852 40.944 42.059 -0.439 0.000 0.894 337 L HN 0.373 nan 8.230 nan 0.000 0.432 338 A N -0.258 122.604 122.820 0.071 0.000 1.877 338 A HA -0.116 4.204 4.320 0.000 0.000 0.216 338 A C 0.913 178.543 177.584 0.077 0.000 1.186 338 A CA 1.243 53.304 52.037 0.041 0.000 0.620 338 A CB -0.498 18.502 19.000 -0.000 0.000 0.822 338 A HN 0.424 nan 8.150 nan 0.000 0.443 339 N N 0.643 119.402 118.700 0.099 0.000 2.437 339 N HA 0.508 5.248 4.740 0.000 0.000 0.243 339 N C -0.358 175.039 175.510 -0.188 0.000 1.041 339 N CA 0.469 53.505 53.050 -0.022 0.000 0.940 339 N CB 1.156 39.624 38.487 -0.031 0.000 1.133 339 N HN 0.429 nan 8.380 nan 0.000 0.506 340 A N 3.306 125.856 122.820 -0.451 0.000 2.271 340 A HA 0.574 4.894 4.320 0.000 0.000 0.288 340 A C -2.201 174.793 177.584 -0.982 0.000 1.094 340 A CA -1.422 49.858 52.037 -1.262 0.000 0.828 340 A CB -0.062 18.416 19.000 -0.870 0.000 1.091 340 A HN 0.345 nan 8.150 nan 0.000 0.493 341 P HA 0.128 nan 4.420 nan 0.000 0.262 341 P C -0.817 176.227 177.300 -0.427 0.000 1.199 341 P CA 0.505 63.168 63.100 -0.727 0.000 0.763 341 P CB 0.244 31.491 31.700 -0.756 0.000 0.790 342 E N 3.210 123.246 120.200 -0.274 0.000 2.130 342 E HA 0.116 4.466 4.350 0.000 0.000 0.284 342 E C 0.071 176.571 176.600 -0.167 0.000 1.018 342 E CA -0.691 55.591 56.400 -0.196 0.000 0.817 342 E CB 0.771 30.369 29.700 -0.170 0.000 1.078 342 E HN 0.408 nan 8.360 nan 0.000 0.396 343 E N 2.656 122.739 120.200 -0.196 0.000 2.398 343 E HA 0.017 4.367 4.350 0.000 0.000 0.263 343 E C -0.065 176.405 176.600 -0.216 0.000 1.046 343 E CA 0.006 56.268 56.400 -0.229 0.000 0.908 343 E CB 0.540 29.981 29.700 -0.432 0.000 0.963 343 E HN 0.392 nan 8.360 nan 0.000 0.431 344 D N 1.005 121.304 120.400 -0.167 0.000 2.349 344 D HA 0.230 4.870 4.640 0.000 0.000 0.239 344 D C 0.547 176.718 176.300 -0.215 0.000 1.315 344 D CA 0.152 54.061 54.000 -0.152 0.000 0.937 344 D CB 0.394 41.140 40.800 -0.090 0.000 1.133 344 D HN 0.378 nan 8.370 nan 0.000 0.489 345 I N -3.084 117.370 120.570 -0.193 0.000 2.686 345 I HA 0.474 4.644 4.170 0.000 0.000 0.295 345 I C -0.719 175.405 176.117 0.011 0.000 1.114 345 I CA -1.211 59.951 61.300 -0.230 0.000 1.038 345 I CB 2.092 39.756 38.000 -0.560 0.000 1.238 345 I HN 0.029 nan 8.210 nan 0.000 0.420 346 V N 1.041 121.052 119.914 0.162 0.000 2.427 346 V HA 0.511 4.631 4.120 0.000 0.000 0.286 346 V C 0.175 176.390 176.094 0.202 0.000 1.034 346 V CA -0.558 61.833 62.300 0.152 0.000 0.893 346 V CB 1.163 33.070 31.823 0.139 0.000 0.982 346 V HN 0.718 nan 8.190 nan 0.000 0.452 347 E N 2.848 123.126 120.200 0.129 0.000 2.366 347 E HA 0.164 4.514 4.350 0.000 0.000 0.266 347 E C -1.184 175.485 176.600 0.115 0.000 1.015 347 E CA 0.248 56.718 56.400 0.117 0.000 0.906 347 E CB 1.157 30.890 29.700 0.055 0.000 0.979 347 E HN 0.819 nan 8.360 nan 0.000 0.443 348 Y N 1.890 122.182 120.300 -0.014 0.000 2.335 348 Y HA 0.236 4.786 4.550 0.000 0.000 0.338 348 Y C -0.554 175.270 175.900 -0.126 0.000 0.977 348 Y CA -0.415 57.648 58.100 -0.062 0.000 1.114 348 Y CB 1.297 39.713 38.460 -0.074 0.000 1.182 348 Y HN 0.194 nan 8.280 nan 0.000 0.463 349 T N 8.547 122.663 114.554 -0.731 0.000 2.779 349 T HA 0.395 4.745 4.350 0.000 0.000 0.280 349 T C -2.809 171.320 174.700 -0.952 0.000 0.987 349 T CA -1.380 60.367 62.100 -0.588 0.000 0.966 349 T CB 1.362 70.027 68.868 -0.338 0.000 0.933 349 T HN 0.464 nan 8.240 nan 0.000 0.442 350 P HA 0.460 nan 4.420 nan 0.000 0.288 350 P C -0.102 177.106 177.300 -0.154 0.000 1.267 350 P CA -0.290 62.444 63.100 -0.610 0.000 0.815 350 P CB 1.577 32.420 31.700 -1.429 0.000 0.989 351 G N 2.512 111.382 108.800 0.118 0.000 2.642 351 G HA2 0.283 4.243 3.960 0.000 0.000 0.291 351 G HA3 0.283 4.243 3.960 0.000 0.000 0.291 351 G C -0.311 174.772 174.900 0.304 0.000 1.345 351 G CA -0.670 44.524 45.100 0.157 0.000 1.043 351 G HN 0.329 nan 8.290 nan 0.000 0.528 352 K N 0.253 120.699 120.400 0.076 0.000 2.550 352 K HA -0.022 4.298 4.320 0.000 0.000 0.280 352 K C 0.639 177.060 176.600 -0.298 0.000 0.987 352 K CA 0.353 56.589 56.287 -0.084 0.000 1.048 352 K CB 0.421 32.861 32.500 -0.100 0.000 0.879 352 K HN 0.296 nan 8.250 nan 0.000 0.491 353 I N 5.848 125.996 120.570 -0.704 0.000 2.742 353 I HA -0.087 4.083 4.170 0.000 0.000 0.287 353 I C -1.661 174.115 176.117 -0.568 0.000 1.186 353 I CA -1.363 59.312 61.300 -1.042 0.000 1.417 353 I CB -0.194 37.267 38.000 -0.898 0.000 1.377 353 I HN 0.271 nan 8.210 nan 0.000 0.556 354 P HA -0.005 nan 4.420 nan 0.000 0.270 354 P C -0.448 176.454 177.300 -0.664 0.000 1.223 354 P CA -0.152 62.544 63.100 -0.673 0.000 0.785 354 P CB 0.447 31.604 31.700 -0.905 0.000 0.923 355 E N 1.704 121.672 120.200 -0.387 0.000 2.122 355 E HA 0.156 4.506 4.350 0.000 0.000 0.288 355 E C -0.092 176.421 176.600 -0.145 0.000 1.260 355 E CA -0.377 55.910 56.400 -0.189 0.000 1.344 355 E CB -0.899 28.741 29.700 -0.100 0.000 1.337 355 E HN 0.317 nan 8.360 nan 0.000 0.484 356 F N 1.862 121.801 119.950 -0.018 0.000 2.585 356 F HA -0.235 4.292 4.527 0.000 0.000 0.358 356 F C 1.473 177.272 175.800 -0.000 0.000 1.068 356 F CA 0.917 58.910 58.000 -0.011 0.000 1.301 356 F CB 0.170 39.155 39.000 -0.025 0.000 0.964 356 F HN 0.162 nan 8.300 nan 0.000 0.608 357 K N 1.799 122.317 120.400 0.196 0.000 2.409 357 K HA 0.517 4.837 4.320 0.000 0.000 0.252 357 K C -0.512 176.146 176.600 0.097 0.000 1.036 357 K CA -1.382 54.974 56.287 0.115 0.000 0.871 357 K CB 0.988 33.529 32.500 0.070 0.000 1.374 357 K HN 0.438 nan 8.250 nan 0.000 0.459 358 R N 1.565 122.107 120.500 0.070 0.000 2.549 358 R HA 0.003 4.343 4.340 0.000 0.000 0.336 358 R C -1.275 175.061 176.300 0.059 0.000 0.891 358 R CA 0.386 56.519 56.100 0.056 0.000 1.102 358 R CB -0.572 29.761 30.300 0.055 0.000 0.899 358 R HN 0.482 nan 8.270 nan 0.000 0.407 359 V N 5.699 125.636 119.914 0.038 0.000 2.462 359 V HA 0.102 4.222 4.120 0.000 0.000 0.257 359 V C -0.404 175.740 176.094 0.083 0.000 0.944 359 V CA -0.740 61.601 62.300 0.068 0.000 0.903 359 V CB 0.937 32.778 31.823 0.030 0.000 1.128 359 V HN 0.659 nan 8.190 nan 0.000 0.486 360 E N 2.269 122.556 120.200 0.145 0.000 2.414 360 E HA 0.178 4.528 4.350 0.000 0.000 0.263 360 E C -0.709 176.171 176.600 0.466 0.000 1.000 360 E CA 0.228 56.745 56.400 0.194 0.000 0.914 360 E CB 0.605 30.391 29.700 0.144 0.000 0.948 360 E HN 0.283 nan 8.360 nan 0.000 0.444 361 F N 2.913 122.897 119.950 0.058 0.000 2.363 361 F HA 0.050 4.577 4.527 0.000 0.000 0.366 361 F C 0.585 176.415 175.800 0.051 0.000 1.083 361 F CA -1.429 56.612 58.000 0.069 0.000 1.176 361 F CB 0.377 39.430 39.000 0.087 0.000 1.432 361 F HN 0.269 nan 8.300 nan 0.000 0.482 362 E N 3.035 123.346 120.200 0.185 0.000 2.918 362 E HA -0.139 4.211 4.350 0.000 0.000 0.232 362 E C -0.019 176.634 176.600 0.089 0.000 1.073 362 E CA 0.059 56.526 56.400 0.110 0.000 0.949 362 E CB 0.078 29.818 29.700 0.067 0.000 0.937 362 E HN 0.531 nan 8.360 nan 0.000 0.536 363 E N 3.028 123.280 120.200 0.086 0.000 2.415 363 E HA 0.095 4.445 4.350 0.000 0.000 0.263 363 E C -0.438 176.174 176.600 0.019 0.000 0.995 363 E CA -0.441 55.991 56.400 0.054 0.000 0.915 363 E CB 0.929 30.656 29.700 0.045 0.000 0.951 363 E HN 0.266 nan 8.360 nan 0.000 0.449 364 V N 3.151 123.061 119.914 -0.006 0.000 2.513 364 V HA 0.120 4.240 4.120 0.000 0.000 0.299 364 V C 0.547 176.600 176.094 -0.068 0.000 1.035 364 V CA -1.022 61.261 62.300 -0.027 0.000 0.889 364 V CB 1.544 33.352 31.823 -0.024 0.000 0.988 364 V HN 0.604 nan 8.190 nan 0.000 0.440 365 N N 3.262 121.925 118.700 -0.063 0.000 2.652 365 N HA 0.086 4.826 4.740 0.000 0.000 0.259 365 N C 0.921 176.355 175.510 -0.127 0.000 1.240 365 N CA 0.167 53.163 53.050 -0.089 0.000 0.951 365 N CB 0.636 39.091 38.487 -0.053 0.000 1.281 365 N HN 0.795 nan 8.380 nan 0.000 0.507 366 A N 0.341 123.056 122.820 -0.175 0.000 2.358 366 A HA 0.037 4.357 4.320 0.000 0.000 0.232 366 A C 1.772 179.106 177.584 -0.416 0.000 1.498 366 A CA 0.046 51.959 52.037 -0.208 0.000 1.400 366 A CB -0.395 18.517 19.000 -0.146 0.000 0.852 366 A HN 0.174 nan 8.150 nan 0.000 0.605 367 R N -0.621 119.696 120.500 -0.306 0.000 2.246 367 R HA 0.049 4.389 4.340 0.000 0.000 0.199 367 R C 1.517 177.759 176.300 -0.097 0.000 0.984 367 R CA 0.594 56.521 56.100 -0.289 0.000 1.015 367 R CB 0.149 30.329 30.300 -0.200 0.000 0.930 367 R HN 0.499 nan 8.270 nan 0.000 0.475 368 E N -0.169 119.995 120.200 -0.060 0.000 2.170 368 E HA -0.065 4.285 4.350 0.000 0.000 0.191 368 E C 1.850 178.466 176.600 0.026 0.000 0.981 368 E CA 0.929 57.320 56.400 -0.015 0.000 0.830 368 E CB 0.175 29.861 29.700 -0.024 0.000 0.775 368 E HN 0.112 nan 8.360 nan 0.000 0.470 369 V N 1.074 121.037 119.914 0.083 0.000 2.427 369 V HA -0.197 3.923 4.120 0.000 0.000 0.248 369 V C 2.094 178.418 176.094 0.384 0.000 1.051 369 V CA 1.305 63.726 62.300 0.202 0.000 1.048 369 V CB -0.588 31.410 31.823 0.291 0.000 0.666 369 V HN 0.084 nan 8.190 nan 0.000 0.456 370 F N 0.728 120.709 119.950 0.053 0.000 2.186 370 F HA -0.070 4.457 4.527 0.000 0.000 0.299 370 F C 2.472 178.329 175.800 0.094 0.000 1.090 370 F CA 1.309 59.369 58.000 0.101 0.000 1.307 370 F CB -0.779 38.286 39.000 0.108 0.000 1.019 370 F HN 0.249 nan 8.300 nan 0.000 0.489 371 E N 0.177 120.514 120.200 0.227 0.000 2.051 371 E HA -0.283 4.067 4.350 0.000 0.000 0.192 371 E C 2.249 178.860 176.600 0.018 0.000 0.991 371 E CA 1.269 57.727 56.400 0.097 0.000 0.799 371 E CB -0.240 29.484 29.700 0.040 0.000 0.748 371 E HN 0.483 nan 8.360 nan 0.000 0.449 372 Q N -0.776 118.975 119.800 -0.081 0.000 2.226 372 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 372 Q C 0.657 176.438 176.000 -0.364 0.000 0.975 372 Q CA 1.367 56.995 55.803 -0.292 0.000 0.866 372 Q CB 0.065 28.492 28.738 -0.517 0.000 0.915 372 Q HN 0.418 nan 8.270 nan 0.000 0.440 373 Y N -0.048 120.291 120.300 0.066 0.000 2.531 373 Y HA 0.187 4.737 4.550 0.000 0.000 0.249 373 Y C -0.444 175.493 175.900 0.062 0.000 1.168 373 Y CA -0.313 57.819 58.100 0.054 0.000 1.226 373 Y CB 0.543 39.017 38.460 0.024 0.000 1.177 373 Y HN 0.093 nan 8.280 nan 0.000 0.527 374 D N 1.657 122.156 120.400 0.166 0.000 3.082 374 D HA -0.268 4.372 4.640 0.000 0.000 0.234 374 D C -0.867 175.514 176.300 0.136 0.000 1.159 374 D CA 0.823 54.895 54.000 0.120 0.000 0.875 374 D CB -1.033 39.814 40.800 0.079 0.000 0.946 374 D HN 0.496 nan 8.370 nan 0.000 0.411 375 H N 2.996 122.080 119.070 0.022 0.000 2.679 375 H HA 0.353 4.909 4.556 0.000 0.000 0.360 375 H C 1.274 176.579 175.328 -0.038 0.000 1.105 375 H CA -0.146 55.840 56.048 -0.103 0.000 1.196 375 H CB 0.784 30.351 29.762 -0.325 0.000 1.636 375 H HN 0.319 nan 8.280 nan 0.000 0.531 376 M N 3.749 123.092 119.600 -0.429 0.000 2.811 376 M HA -0.235 4.245 4.480 0.000 0.000 0.183 376 M C 0.012 176.314 176.300 0.004 0.000 0.618 376 M CA 0.656 55.846 55.300 -0.183 0.000 0.633 376 M CB -1.156 31.517 32.600 0.121 0.000 2.305 376 M HN 0.284 nan 8.290 nan 0.000 0.472 377 V N -0.525 119.391 119.914 0.003 0.000 3.563 377 V HA 0.096 4.216 4.120 0.000 0.000 0.299 377 V C 1.623 177.696 176.094 -0.034 0.000 1.290 377 V CA 0.871 63.181 62.300 0.018 0.000 1.201 377 V CB -0.245 31.603 31.823 0.042 0.000 1.045 377 V HN 0.614 nan 8.190 nan 0.000 0.425 378 G N 1.402 110.155 108.800 -0.078 0.000 2.428 378 G HA2 0.151 4.111 3.960 0.000 0.000 0.290 378 G HA3 0.151 4.111 3.960 0.000 0.000 0.290 378 G C 1.118 175.979 174.900 -0.066 0.000 0.996 378 G CA 0.640 45.686 45.100 -0.090 0.000 1.406 378 G HN 0.549 nan 8.290 nan 0.000 0.445 379 T N -0.577 113.948 114.554 -0.049 0.000 3.148 379 T HA -0.009 4.341 4.350 0.000 0.000 0.253 379 T C 0.852 175.532 174.700 -0.033 0.000 1.134 379 T CA 0.314 62.390 62.100 -0.040 0.000 1.051 379 T CB 0.298 69.142 68.868 -0.040 0.000 0.959 379 T HN 0.330 nan 8.240 nan 0.000 0.525 380 D N 3.103 123.480 120.400 -0.037 0.000 2.741 380 D HA 0.225 4.865 4.640 0.000 0.000 0.233 380 D C -0.006 176.277 176.300 -0.029 0.000 1.160 380 D CA -0.144 53.839 54.000 -0.028 0.000 1.003 380 D CB -0.302 40.483 40.800 -0.026 0.000 1.064 380 D HN 0.559 nan 8.370 nan 0.000 0.503 381 T N -3.111 111.433 114.554 -0.017 0.000 2.887 381 T HA 0.276 4.626 4.350 0.000 0.000 0.292 381 T C 1.246 175.953 174.700 0.012 0.000 1.087 381 T CA -0.758 61.334 62.100 -0.014 0.000 1.009 381 T CB 1.314 70.180 68.868 -0.004 0.000 1.203 381 T HN -0.182 nan 8.240 nan 0.000 0.518 382 V N 0.181 120.101 119.914 0.010 0.000 2.759 382 V HA 0.155 4.275 4.120 0.000 0.000 0.256 382 V C 0.893 177.045 176.094 0.096 0.000 1.080 382 V CA 1.142 63.466 62.300 0.039 0.000 1.101 382 V CB -0.139 31.699 31.823 0.024 0.000 0.698 382 V HN 0.746 nan 8.190 nan 0.000 0.477 383 V N -0.753 119.229 119.914 0.114 0.000 2.950 383 V HA 0.436 4.556 4.120 0.000 0.000 0.295 383 V C -2.882 173.318 176.094 0.177 0.000 1.297 383 V CA -2.064 60.361 62.300 0.209 0.000 0.962 383 V CB 2.543 34.527 31.823 0.269 0.000 1.081 383 V HN 0.107 nan 8.190 nan 0.000 0.432 384 P HA 0.062 nan 4.420 nan 0.000 0.259 384 P C -2.064 175.251 177.300 0.025 0.000 1.163 384 P CA -0.372 62.751 63.100 0.038 0.000 0.760 384 P CB 0.228 31.892 31.700 -0.059 0.000 0.762 385 P HA -0.153 nan 4.420 nan 0.000 0.222 385 P C 1.424 178.741 177.300 0.028 0.000 1.147 385 P CA 1.477 64.609 63.100 0.052 0.000 0.790 385 P CB -0.299 31.430 31.700 0.049 0.000 0.780 386 G N -0.942 107.798 108.800 -0.101 0.000 2.564 386 G HA2 -0.208 3.752 3.960 0.000 0.000 0.216 386 G HA3 -0.208 3.752 3.960 0.000 0.000 0.216 386 G C 0.733 175.596 174.900 -0.063 0.000 1.124 386 G CA 0.086 45.087 45.100 -0.165 0.000 0.764 386 G HN 0.177 nan 8.290 nan 0.000 0.550 387 F N 0.428 120.435 119.950 0.095 0.000 2.693 387 F HA 0.411 4.938 4.527 0.000 0.000 0.303 387 F C 1.646 177.502 175.800 0.093 0.000 1.097 387 F CA -0.293 57.774 58.000 0.113 0.000 1.330 387 F CB 0.536 39.578 39.000 0.070 0.000 1.067 387 F HN 0.295 nan 8.300 nan 0.000 0.565 388 G N 0.142 109.098 108.800 0.260 0.000 2.039 388 G HA2 0.105 4.065 3.960 0.000 0.000 0.207 388 G HA3 0.105 4.065 3.960 0.000 0.000 0.207 388 G C -0.269 174.697 174.900 0.110 0.000 1.133 388 G CA -0.421 44.775 45.100 0.160 0.000 1.296 388 G HN 0.385 nan 8.290 nan 0.000 0.459 389 A N 0.780 123.637 122.820 0.061 0.000 2.450 389 A HA 0.778 5.098 4.320 0.000 0.000 0.255 389 A C 0.678 178.305 177.584 0.071 0.000 1.096 389 A CA 1.277 53.336 52.037 0.038 0.000 0.778 389 A CB 0.312 19.299 19.000 -0.022 0.000 1.031 389 A HN 2.293 nan 8.150 nan 0.000 0.494 390 A N 2.894 125.784 122.820 0.115 0.000 2.309 390 A HA 0.548 4.868 4.320 0.000 0.000 0.290 390 A C -0.075 177.525 177.584 0.026 0.000 1.206 390 A CA -0.327 51.797 52.037 0.144 0.000 0.850 390 A CB 0.087 19.310 19.000 0.371 0.000 1.118 390 A HN 0.962 nan 8.150 nan 0.000 0.523 391 V N 4.750 124.653 119.914 -0.019 0.000 2.427 391 V HA 0.547 4.667 4.120 0.000 0.000 0.286 391 V C -0.005 175.981 176.094 -0.181 0.000 1.034 391 V CA -0.403 61.827 62.300 -0.117 0.000 0.893 391 V CB 1.199 32.992 31.823 -0.050 0.000 0.982 391 V HN 0.914 nan 8.190 nan 0.000 0.452 392 M N 5.273 124.632 119.600 -0.401 0.000 2.530 392 M HA 0.645 5.125 4.480 0.000 0.000 0.307 392 M C -0.693 175.443 176.300 -0.272 0.000 1.161 392 M CA -0.783 54.287 55.300 -0.383 0.000 0.903 392 M CB 2.330 34.549 32.600 -0.635 0.000 1.711 392 M HN 0.739 nan 8.290 nan 0.000 0.451 393 R N 2.935 123.388 120.500 -0.079 0.000 2.589 393 R HA 0.615 4.955 4.340 0.000 0.000 0.293 393 R C 0.102 176.437 176.300 0.059 0.000 0.963 393 R CA -0.634 55.472 56.100 0.009 0.000 0.905 393 R CB 1.900 32.205 30.300 0.008 0.000 1.144 393 R HN 0.883 nan 8.270 nan 0.000 0.459 394 I N -1.488 119.126 120.570 0.072 0.000 4.057 394 I HA 0.357 4.527 4.170 0.000 0.000 0.334 394 I C -0.357 175.727 176.117 -0.055 0.000 1.308 394 I CA 0.277 61.561 61.300 -0.027 0.000 1.125 394 I CB -0.393 37.544 38.000 -0.106 0.000 1.034 394 I HN 0.774 nan 8.210 nan 0.000 0.401 395 K N 0.812 121.225 120.400 0.022 0.000 2.578 395 K HA 0.309 4.629 4.320 0.000 0.000 0.287 395 K C 0.741 177.368 176.600 0.044 0.000 1.010 395 K CA -0.630 55.685 56.287 0.047 0.000 0.889 395 K CB 2.343 34.902 32.500 0.099 0.000 1.514 395 K HN -0.133 nan 8.250 nan 0.000 0.424 396 R N 0.711 121.237 120.500 0.042 0.000 2.094 396 R HA -0.143 4.197 4.340 0.000 0.000 0.239 396 R C 0.544 176.867 176.300 0.037 0.000 1.137 396 R CA 2.749 58.870 56.100 0.035 0.000 0.943 396 R CB -0.212 30.106 30.300 0.031 0.000 0.850 396 R HN 0.726 nan 8.270 nan 0.000 0.433 397 D N -1.183 119.243 120.400 0.043 0.000 2.368 397 D HA 0.110 4.750 4.640 0.000 0.000 0.218 397 D C 0.158 176.490 176.300 0.054 0.000 1.112 397 D CA 0.026 54.051 54.000 0.042 0.000 0.834 397 D CB 0.625 41.448 40.800 0.037 0.000 0.953 397 D HN 0.299 nan 8.370 nan 0.000 0.505 398 G N -0.912 107.928 108.800 0.066 0.000 2.524 398 G HA2 0.627 4.587 3.960 0.000 0.000 0.310 398 G HA3 0.627 4.587 3.960 0.000 0.000 0.310 398 G C -0.469 174.483 174.900 0.087 0.000 1.279 398 G CA -0.429 44.723 45.100 0.086 0.000 0.974 398 G HN 0.336 nan 8.290 nan 0.000 0.484 399 G N -0.733 108.133 108.800 0.110 0.000 2.441 399 G HA2 0.679 4.639 3.960 0.000 0.000 0.294 399 G HA3 0.679 4.639 3.960 0.000 0.000 0.294 399 G C -1.779 173.238 174.900 0.195 0.000 1.393 399 G CA -0.366 44.813 45.100 0.133 0.000 0.796 399 G HN 1.570 nan 8.290 nan 0.000 0.494 400 Y N -0.819 119.465 120.300 -0.027 0.000 2.562 400 Y HA 0.851 5.401 4.550 0.000 0.000 0.345 400 Y C 0.030 175.893 175.900 -0.061 0.000 1.045 400 Y CA -1.286 56.777 58.100 -0.062 0.000 1.028 400 Y CB 1.333 39.733 38.460 -0.099 0.000 1.297 400 Y HN 0.944 nan 8.280 nan 0.000 0.463 401 S N 2.850 118.512 115.700 -0.062 0.000 2.690 401 S HA 0.866 5.336 4.470 0.000 0.000 0.291 401 S C -1.183 173.337 174.600 -0.133 0.000 1.138 401 S CA -0.784 57.337 58.200 -0.132 0.000 1.013 401 S CB 1.937 65.083 63.200 -0.089 0.000 1.053 401 S HN 0.998 nan 8.310 nan 0.000 0.539 402 L N 1.405 122.521 121.223 -0.178 0.000 2.565 402 L HA 0.698 5.038 4.340 0.000 0.000 0.261 402 L C -1.526 175.182 176.870 -0.270 0.000 0.932 402 L CA -0.646 53.992 54.840 -0.335 0.000 0.878 402 L CB 1.940 43.594 42.059 -0.676 0.000 1.333 402 L HN 0.903 nan 8.230 nan 0.000 0.409 403 V N 0.680 120.468 119.914 -0.210 0.000 2.971 403 V HA 0.834 4.954 4.120 0.000 0.000 0.309 403 V C -0.731 175.352 176.094 -0.018 0.000 1.130 403 V CA -0.194 62.069 62.300 -0.061 0.000 0.964 403 V CB 2.311 34.124 31.823 -0.015 0.000 1.029 403 V HN 0.768 nan 8.190 nan 0.000 0.427 404 T N 1.431 116.034 114.554 0.081 0.000 2.833 404 T HA 0.725 5.075 4.350 0.000 0.000 0.297 404 T C -0.767 174.050 174.700 0.195 0.000 1.015 404 T CA -0.229 61.945 62.100 0.124 0.000 0.963 404 T CB 0.595 69.553 68.868 0.149 0.000 0.955 404 T HN 1.260 nan 8.240 nan 0.000 0.449 405 H N 1.845 120.954 119.070 0.065 0.000 2.865 405 H HA 0.802 5.358 4.556 0.000 0.000 0.372 405 H C -0.790 174.584 175.328 0.077 0.000 1.173 405 H CA -0.205 55.884 56.048 0.069 0.000 1.147 405 H CB 2.155 31.945 29.762 0.045 0.000 1.805 405 H HN 0.902 nan 8.280 nan 0.000 0.553 406 S N 3.318 118.637 115.700 -0.636 0.000 2.552 406 S HA 0.522 4.992 4.470 0.000 0.000 0.272 406 S C -1.391 172.912 174.600 -0.496 0.000 1.150 406 S CA -1.223 56.742 58.200 -0.392 0.000 0.849 406 S CB 1.894 65.065 63.200 -0.049 0.000 1.113 406 S HN 0.563 nan 8.310 nan 0.000 0.458 407 R N 0.999 121.325 120.500 -0.289 0.000 2.681 407 R HA 0.551 4.891 4.340 0.000 0.000 0.277 407 R C 1.149 177.375 176.300 -0.124 0.000 1.563 407 R CA 0.024 55.987 56.100 -0.229 0.000 1.673 407 R CB 0.049 30.198 30.300 -0.251 0.000 1.258 407 R HN 0.838 nan 8.270 nan 0.000 0.650 408 A N 1.433 124.267 122.820 0.023 0.000 1.908 408 A HA -0.225 4.095 4.320 0.000 0.000 0.218 408 A C 1.733 179.379 177.584 0.104 0.000 1.181 408 A CA 1.945 54.083 52.037 0.168 0.000 0.627 408 A CB -0.163 19.122 19.000 0.475 0.000 0.818 408 A HN 0.553 nan 8.150 nan 0.000 0.445 409 D N 0.574 120.846 120.400 -0.214 0.000 2.149 409 D HA -0.228 4.412 4.640 0.000 0.000 0.194 409 D C 1.810 177.990 176.300 -0.201 0.000 1.001 409 D CA 1.783 55.467 54.000 -0.526 0.000 0.849 409 D CB -0.699 39.444 40.800 -1.095 0.000 0.939 409 D HN 0.511 nan 8.370 nan 0.000 0.449 410 L N 0.335 121.414 121.223 -0.241 0.000 2.127 410 L HA 0.091 4.431 4.340 0.000 0.000 0.203 410 L C 2.943 179.833 176.870 0.034 0.000 1.080 410 L CA 0.857 55.537 54.840 -0.267 0.000 0.768 410 L CB -0.484 41.167 42.059 -0.679 0.000 0.924 410 L HN 0.039 nan 8.230 nan 0.000 0.444 411 A N 0.087 122.908 122.820 0.000 0.000 2.070 411 A HA -0.200 4.120 4.320 0.000 0.000 0.220 411 A C 2.208 179.855 177.584 0.104 0.000 1.159 411 A CA 1.379 53.454 52.037 0.063 0.000 0.656 411 A CB -0.535 18.476 19.000 0.018 0.000 0.800 411 A HN 0.338 nan 8.150 nan 0.000 0.453 412 L N -0.512 120.774 121.223 0.104 0.000 2.093 412 L HA -0.149 4.191 4.340 0.000 0.000 0.208 412 L C 2.405 179.350 176.870 0.125 0.000 1.085 412 L CA 2.102 57.003 54.840 0.102 0.000 0.755 412 L CB -0.422 41.707 42.059 0.116 0.000 0.904 412 L HN 0.480 nan 8.230 nan 0.000 0.435 413 Q N -1.401 118.511 119.800 0.186 0.000 2.187 413 Q HA -0.025 4.315 4.340 0.000 0.000 0.199 413 Q C -0.036 176.089 176.000 0.209 0.000 0.957 413 Q CA 0.987 56.915 55.803 0.208 0.000 0.857 413 Q CB 0.397 29.330 28.738 0.326 0.000 0.929 413 Q HN 0.392 nan 8.270 nan 0.000 0.453 414 D N -1.062 119.519 120.400 0.300 0.000 2.333 414 D HA 0.055 4.695 4.640 0.000 0.000 0.225 414 D C -0.003 176.458 176.300 0.268 0.000 1.345 414 D CA 0.028 54.210 54.000 0.303 0.000 0.971 414 D CB 1.180 42.217 40.800 0.395 0.000 1.451 414 D HN -0.118 nan 8.370 nan 0.000 0.561 415 T N 1.993 116.639 114.554 0.154 0.000 2.624 415 T HA -0.248 4.102 4.350 0.000 0.000 0.268 415 T C 1.572 176.268 174.700 -0.007 0.000 1.041 415 T CA 1.483 63.613 62.100 0.050 0.000 1.159 415 T CB -0.454 68.400 68.868 -0.023 0.000 0.863 415 T HN 0.565 nan 8.240 nan 0.000 0.434 416 Y N 0.367 120.579 120.300 -0.147 0.000 2.044 416 Y HA -0.221 4.329 4.550 0.000 0.000 0.264 416 Y C 2.294 178.076 175.900 -0.197 0.000 1.111 416 Y CA 1.306 59.249 58.100 -0.262 0.000 1.088 416 Y CB -0.797 37.503 38.460 -0.268 0.000 0.981 416 Y HN 0.239 nan 8.280 nan 0.000 0.478 417 W N 0.282 121.728 121.300 0.244 0.000 2.321 417 W HA -0.185 4.475 4.660 0.000 0.000 0.306 417 W C 2.701 179.185 176.519 -0.058 0.000 1.217 417 W CA 1.482 58.899 57.345 0.121 0.000 1.257 417 W CB -1.076 28.585 29.460 0.335 0.000 1.145 417 W HN 0.321 nan 8.180 nan 0.000 0.509 418 G N -0.327 108.598 108.800 0.207 0.000 2.459 418 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 418 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 418 G C 1.382 176.209 174.900 -0.121 0.000 1.183 418 G CA 1.897 46.967 45.100 -0.050 0.000 0.776 418 G HN 0.211 nan 8.290 nan 0.000 0.552 419 T N 0.973 115.450 114.554 -0.129 0.000 2.684 419 T HA -0.137 4.213 4.350 0.000 0.000 0.267 419 T C 2.293 176.869 174.700 -0.206 0.000 1.036 419 T CA 1.251 63.247 62.100 -0.173 0.000 1.148 419 T CB -0.251 68.489 68.868 -0.214 0.000 0.863 419 T HN 0.194 nan 8.240 nan 0.000 0.436 420 L N 0.508 121.539 121.223 -0.320 0.000 2.017 420 L HA -0.012 4.328 4.340 0.000 0.000 0.208 420 L C 2.291 179.093 176.870 -0.113 0.000 1.073 420 L CA 1.491 56.145 54.840 -0.310 0.000 0.745 420 L CB -0.328 41.389 42.059 -0.570 0.000 0.894 420 L HN 0.238 nan 8.230 nan 0.000 0.432 421 I N 0.063 120.564 120.570 -0.115 0.000 2.335 421 I HA -0.289 3.881 4.170 0.000 0.000 0.251 421 I C 2.687 178.798 176.117 -0.010 0.000 1.129 421 I CA 0.982 62.201 61.300 -0.134 0.000 1.402 421 I CB -0.583 37.182 38.000 -0.392 0.000 1.069 421 I HN 0.383 nan 8.210 nan 0.000 0.424 422 A N 0.420 123.225 122.820 -0.026 0.000 1.933 422 A HA -0.133 4.187 4.320 0.000 0.000 0.218 422 A C 2.413 180.114 177.584 0.195 0.000 1.175 422 A CA 1.607 53.684 52.037 0.068 0.000 0.628 422 A CB -0.768 18.175 19.000 -0.095 0.000 0.814 422 A HN 0.256 nan 8.150 nan 0.000 0.444 423 V N 0.142 120.115 119.914 0.097 0.000 2.379 423 V HA -0.202 3.918 4.120 0.000 0.000 0.245 423 V C 2.504 178.711 176.094 0.188 0.000 1.044 423 V CA 1.686 64.058 62.300 0.120 0.000 1.036 423 V CB -0.710 31.161 31.823 0.079 0.000 0.664 423 V HN 0.564 nan 8.190 nan 0.000 0.453 424 L N -0.205 121.171 121.223 0.254 0.000 2.083 424 L HA -0.162 4.178 4.340 0.000 0.000 0.209 424 L C 2.485 179.571 176.870 0.360 0.000 1.083 424 L CA 1.610 56.721 54.840 0.453 0.000 0.752 424 L CB -0.654 41.705 42.059 0.499 0.000 0.899 424 L HN 0.419 nan 8.230 nan 0.000 0.433 425 E N -0.386 119.939 120.200 0.208 0.000 2.285 425 E HA -0.091 4.259 4.350 0.000 0.000 0.194 425 E C 2.238 178.777 176.600 -0.102 0.000 0.997 425 E CA 0.857 57.286 56.400 0.048 0.000 0.845 425 E CB 0.102 29.774 29.700 -0.047 0.000 0.782 425 E HN 0.384 nan 8.360 nan 0.000 0.491 426 S N 0.561 116.254 115.700 -0.012 0.000 2.387 426 S HA -0.083 4.387 4.470 0.000 0.000 0.226 426 S C 2.190 176.733 174.600 -0.096 0.000 1.026 426 S CA 0.540 58.715 58.200 -0.042 0.000 0.972 426 S CB 0.014 63.254 63.200 0.066 0.000 0.814 426 S HN 0.057 nan 8.310 nan 0.000 0.477 427 V N 2.258 122.101 119.914 -0.119 0.000 2.515 427 V HA -0.149 3.971 4.120 0.000 0.000 0.250 427 V C 2.414 178.260 176.094 -0.413 0.000 1.058 427 V CA 1.519 63.599 62.300 -0.366 0.000 1.064 427 V CB -0.624 30.774 31.823 -0.707 0.000 0.675 427 V HN 0.373 nan 8.190 nan 0.000 0.461 428 R N 0.250 120.638 120.500 -0.187 0.000 2.061 428 R HA -0.158 4.182 4.340 0.000 0.000 0.230 428 R C 2.443 178.681 176.300 -0.103 0.000 1.140 428 R CA 1.569 57.622 56.100 -0.078 0.000 0.940 428 R CB -0.414 29.946 30.300 0.100 0.000 0.839 428 R HN 0.375 nan 8.270 nan 0.000 0.429 429 K N -0.024 120.316 120.400 -0.101 0.000 2.059 429 K HA -0.152 4.168 4.320 0.000 0.000 0.212 429 K C 2.178 178.715 176.600 -0.106 0.000 1.050 429 K CA 2.238 58.468 56.287 -0.095 0.000 0.927 429 K CB -0.376 32.066 32.500 -0.096 0.000 0.714 429 K HN 0.165 nan 8.250 nan 0.000 0.447 430 T N 1.135 115.611 114.554 -0.130 0.000 2.684 430 T HA -0.124 4.226 4.350 0.000 0.000 0.267 430 T C 1.598 176.215 174.700 -0.137 0.000 1.036 430 T CA 1.087 63.108 62.100 -0.133 0.000 1.148 430 T CB -0.177 68.596 68.868 -0.158 0.000 0.863 430 T HN -0.033 nan 8.240 nan 0.000 0.436 431 L N 1.373 122.492 121.223 -0.174 0.000 2.017 431 L HA -0.002 4.338 4.340 0.000 0.000 0.208 431 L C 2.726 179.536 176.870 -0.101 0.000 1.073 431 L CA 1.527 56.281 54.840 -0.143 0.000 0.745 431 L CB -1.426 40.528 42.059 -0.176 0.000 0.894 431 L HN 0.184 nan 8.230 nan 0.000 0.432 432 S N -1.227 114.412 115.700 -0.101 0.000 2.441 432 S HA -0.167 4.303 4.470 0.000 0.000 0.242 432 S C 1.849 176.349 174.600 -0.166 0.000 1.018 432 S CA 1.253 59.380 58.200 -0.121 0.000 0.988 432 S CB -0.348 62.775 63.200 -0.129 0.000 0.778 432 S HN 0.309 nan 8.310 nan 0.000 0.498 433 V N 0.116 119.952 119.914 -0.131 0.000 3.647 433 V HA 0.376 4.496 4.120 0.000 0.000 0.279 433 V C 1.284 177.334 176.094 -0.072 0.000 1.314 433 V CA 0.978 63.209 62.300 -0.114 0.000 1.125 433 V CB -0.218 31.557 31.823 -0.079 0.000 0.907 433 V HN 0.596 nan 8.190 nan 0.000 0.434 434 G N 0.235 108.994 108.800 -0.068 0.000 2.157 434 G HA2 -0.127 3.833 3.960 0.000 0.000 0.239 434 G HA3 -0.127 3.833 3.960 0.000 0.000 0.239 434 G C 0.244 175.120 174.900 -0.041 0.000 0.982 434 G CA 0.205 45.279 45.100 -0.043 0.000 0.650 434 G HN 1.397 nan 8.290 nan 0.000 0.527 435 A N 0.129 122.914 122.820 -0.058 0.000 2.309 435 A HA 0.689 5.009 4.320 0.000 0.000 0.298 435 A C 0.191 177.731 177.584 -0.074 0.000 1.165 435 A CA -0.324 51.680 52.037 -0.056 0.000 0.821 435 A CB 0.648 19.610 19.000 -0.063 0.000 1.102 435 A HN 0.173 nan 8.150 nan 0.000 0.500 436 E N 2.560 122.725 120.200 -0.058 0.000 2.194 436 E HA 0.300 4.650 4.350 0.000 0.000 0.284 436 E C -2.494 174.057 176.600 -0.082 0.000 1.035 436 E CA -2.065 54.293 56.400 -0.070 0.000 0.836 436 E CB 0.734 30.409 29.700 -0.041 0.000 1.070 436 E HN 0.319 nan 8.360 nan 0.000 0.401 437 P HA -0.067 nan 4.420 nan 0.000 0.262 437 P C 0.204 177.460 177.300 -0.073 0.000 1.182 437 P CA 0.133 63.164 63.100 -0.115 0.000 0.761 437 P CB 0.576 32.177 31.700 -0.166 0.000 0.795 438 L N 3.451 124.634 121.223 -0.066 0.000 2.453 438 L HA 0.489 4.829 4.340 0.000 0.000 0.190 438 L C 0.966 177.832 176.870 -0.005 0.000 1.093 438 L CA 1.253 56.068 54.840 -0.041 0.000 0.834 438 L CB -0.749 41.272 42.059 -0.064 0.000 1.090 438 L HN 0.413 nan 8.230 nan 0.000 0.489 439 A N -1.466 121.357 122.820 0.006 0.000 2.533 439 A HA 0.736 5.056 4.320 0.000 0.000 0.293 439 A C -1.558 176.135 177.584 0.182 0.000 1.228 439 A CA -0.377 51.729 52.037 0.115 0.000 0.689 439 A CB 1.130 20.264 19.000 0.223 0.000 1.303 439 A HN -0.062 nan 8.150 nan 0.000 0.444 440 I N 0.503 121.209 120.570 0.227 0.000 2.499 440 I HA 0.445 4.615 4.170 0.000 0.000 0.288 440 I C -0.443 175.745 176.117 0.118 0.000 1.048 440 I CA -0.316 61.098 61.300 0.190 0.000 1.062 440 I CB 2.345 40.398 38.000 0.089 0.000 1.238 440 I HN 0.611 nan 8.210 nan 0.000 0.426 441 T N 5.132 119.740 114.554 0.091 0.000 2.797 441 T HA 0.582 4.932 4.350 0.000 0.000 0.279 441 T C -0.835 173.841 174.700 -0.040 0.000 0.991 441 T CA -0.542 61.451 62.100 -0.178 0.000 0.979 441 T CB 0.677 69.249 68.868 -0.493 0.000 0.943 441 T HN 0.810 nan 8.240 nan 0.000 0.444 442 N N 1.919 120.589 118.700 -0.051 0.000 2.329 442 N HA 0.563 5.303 4.740 0.000 0.000 0.282 442 N C -1.493 174.013 175.510 -0.007 0.000 1.198 442 N CA -0.898 52.145 53.050 -0.011 0.000 0.790 442 N CB 1.703 40.187 38.487 -0.005 0.000 1.579 442 N HN 0.549 nan 8.380 nan 0.000 0.475 443 C N 2.346 121.651 119.300 0.009 0.000 2.340 443 C HA 0.648 5.108 4.460 0.000 0.000 0.323 443 C C -0.627 174.370 174.990 0.012 0.000 1.260 443 C CA -0.361 58.669 59.018 0.020 0.000 1.464 443 C CB -0.148 27.610 27.740 0.030 0.000 2.156 443 C HN 0.600 nan 8.230 nan 0.000 0.476 444 V N 7.823 127.750 119.914 0.022 0.000 2.461 444 V HA 0.364 4.484 4.120 0.000 0.000 0.275 444 V C 0.033 176.146 176.094 0.032 0.000 1.047 444 V CA 0.113 62.420 62.300 0.013 0.000 0.955 444 V CB 0.952 32.779 31.823 0.005 0.000 0.988 444 V HN 0.847 nan 8.190 nan 0.000 0.471 445 N N 4.364 123.087 118.700 0.037 0.000 2.569 445 N HA 0.385 5.125 4.740 0.000 0.000 0.254 445 N C -1.381 174.193 175.510 0.106 0.000 1.004 445 N CA -0.269 52.809 53.050 0.048 0.000 0.904 445 N CB 1.961 40.442 38.487 -0.009 0.000 1.165 445 N HN 0.693 nan 8.380 nan 0.000 0.513 446 Y N 0.154 120.416 120.300 -0.065 0.000 2.576 446 Y HA 0.591 5.141 4.550 -0.000 0.000 0.346 446 Y C 0.853 176.684 175.900 -0.114 0.000 1.018 446 Y CA -0.531 57.513 58.100 -0.094 0.000 1.050 446 Y CB 1.391 39.773 38.460 -0.130 0.000 1.280 446 Y HN 0.432 nan 8.280 nan 0.000 0.474 447 G N 0.664 109.013 108.800 -0.750 0.000 2.873 447 G HA2 0.008 3.968 3.960 0.000 0.000 0.170 447 G HA3 0.008 3.968 3.960 0.000 0.000 0.170 447 G C -0.772 173.892 174.900 -0.394 0.000 1.608 447 G CA -0.298 44.515 45.100 -0.479 0.000 1.084 447 G HN 0.584 nan 8.290 nan 0.000 0.563 448 D N 0.341 120.554 120.400 -0.313 0.000 2.317 448 D HA 0.238 4.878 4.640 0.000 0.000 0.252 448 D C -1.480 174.725 176.300 -0.159 0.000 1.174 448 D CA -1.569 52.242 54.000 -0.315 0.000 0.866 448 D CB 1.948 42.712 40.800 -0.060 0.000 1.127 448 D HN -0.151 nan 8.370 nan 0.000 0.467 449 P HA -0.016 nan 4.420 nan 0.000 0.220 449 P C 0.675 178.046 177.300 0.118 0.000 1.152 449 P CA 0.471 63.570 63.100 -0.001 0.000 0.812 449 P CB 0.485 32.051 31.700 -0.224 0.000 0.792 450 D N -0.720 119.749 120.400 0.114 0.000 2.218 450 D HA -0.083 4.557 4.640 0.000 0.000 0.204 450 D C 1.887 178.255 176.300 0.113 0.000 0.976 450 D CA 1.025 55.135 54.000 0.183 0.000 0.853 450 D CB -0.309 40.629 40.800 0.230 0.000 0.939 450 D HN 0.054 nan 8.370 nan 0.000 0.481 451 V N 0.440 120.405 119.914 0.084 0.000 2.300 451 V HA -0.086 4.034 4.120 0.000 0.000 0.241 451 V C 0.878 177.018 176.094 0.078 0.000 1.034 451 V CA 0.995 63.332 62.300 0.061 0.000 1.021 451 V CB 0.004 31.844 31.823 0.029 0.000 0.662 451 V HN 0.017 nan 8.190 nan 0.000 0.458 452 D N -0.238 120.229 120.400 0.112 0.000 2.485 452 D HA 0.257 4.897 4.640 0.000 0.000 0.256 452 D C -2.157 174.269 176.300 0.210 0.000 1.141 452 D CA -2.132 51.966 54.000 0.163 0.000 0.942 452 D CB 1.594 42.500 40.800 0.177 0.000 1.003 452 D HN 0.156 nan 8.370 nan 0.000 0.507 453 P HA -0.044 nan 4.420 nan 0.000 0.229 453 P C 1.494 178.834 177.300 0.067 0.000 1.160 453 P CA 0.242 63.410 63.100 0.112 0.000 0.777 453 P CB 0.662 32.434 31.700 0.120 0.000 0.814 454 V N 0.179 120.145 119.914 0.086 0.000 2.244 454 V HA -0.137 3.983 4.120 0.000 0.000 0.244 454 V C 2.654 178.705 176.094 -0.071 0.000 1.042 454 V CA 2.527 64.872 62.300 0.075 0.000 1.006 454 V CB -1.959 29.950 31.823 0.144 0.000 0.641 454 V HN 0.132 nan 8.190 nan 0.000 0.446 455 G N -0.366 108.447 108.800 0.021 0.000 2.442 455 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 455 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 455 G C 1.628 176.288 174.900 -0.400 0.000 1.141 455 G CA 0.960 46.063 45.100 0.005 0.000 0.763 455 G HN 0.387 nan 8.290 nan 0.000 0.554 456 L N 0.522 121.262 121.223 -0.805 0.000 2.017 456 L HA -0.084 4.256 4.340 0.000 0.000 0.208 456 L C 2.957 179.390 176.870 -0.728 0.000 1.073 456 L CA 2.001 56.246 54.840 -0.991 0.000 0.745 456 L CB -0.512 41.103 42.059 -0.740 0.000 0.894 456 L HN 0.389 nan 8.230 nan 0.000 0.432 457 S N -0.586 114.759 115.700 -0.592 0.000 2.348 457 S HA -0.163 4.307 4.470 0.000 0.000 0.221 457 S C 2.119 176.346 174.600 -0.622 0.000 1.033 457 S CA 1.293 59.055 58.200 -0.730 0.000 1.010 457 S CB -0.119 62.979 63.200 -0.170 0.000 0.891 457 S HN 0.564 nan 8.310 nan 0.000 0.442 458 A N 1.709 124.072 122.820 -0.763 0.000 1.917 458 A HA -0.156 4.164 4.320 0.000 0.000 0.219 458 A C 2.290 179.568 177.584 -0.510 0.000 1.182 458 A CA 2.020 53.392 52.037 -1.108 0.000 0.633 458 A CB -0.808 17.386 19.000 -1.343 0.000 0.819 458 A HN 0.690 nan 8.150 nan 0.000 0.448 459 M N -1.400 117.933 119.600 -0.445 0.000 2.086 459 M HA -0.157 4.323 4.480 0.000 0.000 0.261 459 M C 1.982 178.087 176.300 -0.325 0.000 1.067 459 M CA 1.840 56.943 55.300 -0.329 0.000 1.116 459 M CB -0.203 32.232 32.600 -0.275 0.000 1.348 459 M HN 0.336 nan 8.290 nan 0.000 0.407 460 M N -0.466 118.886 119.600 -0.414 0.000 2.175 460 M HA -0.105 4.375 4.480 0.000 0.000 0.264 460 M C 2.056 178.216 176.300 -0.234 0.000 1.063 460 M CA 1.664 56.757 55.300 -0.345 0.000 1.119 460 M CB -1.759 30.506 32.600 -0.560 0.000 1.377 460 M HN 0.290 nan 8.290 nan 0.000 0.415 461 T N 1.168 115.592 114.554 -0.217 0.000 2.777 461 T HA -0.013 4.337 4.350 0.000 0.000 0.266 461 T C 2.018 176.703 174.700 -0.024 0.000 1.040 461 T CA 1.509 63.602 62.100 -0.012 0.000 1.141 461 T CB -0.424 68.546 68.868 0.170 0.000 0.868 461 T HN 0.446 nan 8.240 nan 0.000 0.444 462 A N 1.735 124.385 122.820 -0.283 0.000 1.873 462 A HA -0.092 4.228 4.320 0.000 0.000 0.218 462 A C 2.283 179.622 177.584 -0.408 0.000 1.193 462 A CA 1.722 53.244 52.037 -0.859 0.000 0.629 462 A CB -1.008 17.409 19.000 -0.972 0.000 0.826 462 A HN 0.409 nan 8.150 nan 0.000 0.447 463 L N -0.009 121.062 121.223 -0.253 0.000 2.012 463 L HA -0.175 4.165 4.340 0.000 0.000 0.210 463 L C 2.352 179.185 176.870 -0.063 0.000 1.073 463 L CA 2.875 57.636 54.840 -0.131 0.000 0.748 463 L CB -0.643 41.354 42.059 -0.103 0.000 0.891 463 L HN 0.507 nan 8.230 nan 0.000 0.431 464 K N -0.556 119.814 120.400 -0.050 0.000 2.001 464 K HA -0.236 4.084 4.320 0.000 0.000 0.214 464 K C 1.906 178.528 176.600 0.038 0.000 1.050 464 K CA 2.059 58.351 56.287 0.008 0.000 0.934 464 K CB -0.237 32.277 32.500 0.025 0.000 0.718 464 K HN 0.441 nan 8.250 nan 0.000 0.443 465 N N 0.604 119.326 118.700 0.037 0.000 2.223 465 N HA -0.146 4.594 4.740 0.000 0.000 0.185 465 N C 1.673 177.240 175.510 0.096 0.000 1.016 465 N CA 1.283 54.383 53.050 0.084 0.000 0.863 465 N CB -0.399 38.165 38.487 0.128 0.000 0.983 465 N HN 0.356 nan 8.380 nan 0.000 0.429 466 A N 0.708 123.537 122.820 0.014 0.000 1.898 466 A HA -0.117 4.203 4.320 0.000 0.000 0.216 466 A C 2.608 180.312 177.584 0.201 0.000 1.181 466 A CA 1.161 53.246 52.037 0.081 0.000 0.620 466 A CB -0.940 18.053 19.000 -0.012 0.000 0.819 466 A HN 0.422 nan 8.150 nan 0.000 0.442 467 C N -0.371 119.005 119.300 0.128 0.000 2.435 467 C HA -0.055 4.405 4.460 0.000 0.000 0.279 467 C C 2.603 177.687 174.990 0.157 0.000 1.321 467 C CA 1.040 60.137 59.018 0.132 0.000 1.752 467 C CB -1.273 26.515 27.740 0.079 0.000 1.959 467 C HN 0.675 nan 8.230 nan 0.000 0.500 468 E N 0.020 120.315 120.200 0.159 0.000 2.072 468 E HA -0.185 4.165 4.350 0.000 0.000 0.191 468 E C 1.831 178.557 176.600 0.210 0.000 0.985 468 E CA 1.174 57.666 56.400 0.154 0.000 0.801 468 E CB -0.296 29.485 29.700 0.136 0.000 0.750 468 E HN 0.753 nan 8.360 nan 0.000 0.452 469 F N 2.186 122.205 119.950 0.114 0.000 2.084 469 F HA -0.209 4.318 4.527 0.000 0.000 0.296 469 F C 2.601 178.527 175.800 0.210 0.000 1.111 469 F CA 1.827 59.907 58.000 0.134 0.000 1.224 469 F CB -0.361 38.720 39.000 0.134 0.000 0.991 469 F HN -0.042 nan 8.300 nan 0.000 0.471 470 S N -0.323 115.691 115.700 0.524 0.000 2.402 470 S HA 0.079 4.549 4.470 0.000 0.000 0.229 470 S C 1.963 176.695 174.600 0.221 0.000 1.021 470 S CA 0.943 59.447 58.200 0.507 0.000 0.974 470 S CB -0.846 62.641 63.200 0.479 0.000 0.800 470 S HN 1.136 nan 8.310 nan 0.000 0.484 471 G N 0.024 108.916 108.800 0.154 0.000 2.176 471 G HA2 -0.230 3.730 3.960 0.000 0.000 0.253 471 G HA3 -0.230 3.730 3.960 0.000 0.000 0.253 471 G C 0.045 174.986 174.900 0.068 0.000 0.979 471 G CA 0.050 45.202 45.100 0.087 0.000 0.641 471 G HN 0.775 nan 8.290 nan 0.000 0.530 472 V N 3.869 123.830 119.914 0.077 0.000 2.408 472 V HA 0.425 4.545 4.120 0.000 0.000 0.267 472 V C -0.803 175.327 176.094 0.060 0.000 1.047 472 V CA -0.999 61.330 62.300 0.048 0.000 0.937 472 V CB 1.292 33.132 31.823 0.028 0.000 0.999 472 V HN 0.294 nan 8.190 nan 0.000 0.472 473 P HA 0.243 nan 4.420 nan 0.000 0.277 473 P C -0.739 176.595 177.300 0.056 0.000 1.271 473 P CA -0.312 62.818 63.100 0.051 0.000 0.795 473 P CB 1.410 33.136 31.700 0.043 0.000 1.101 474 V N 1.246 121.184 119.914 0.040 0.000 2.333 474 V HA 0.256 4.376 4.120 0.000 0.000 0.274 474 V C 1.478 177.577 176.094 0.008 0.000 1.028 474 V CA 0.102 62.417 62.300 0.026 0.000 0.851 474 V CB 0.272 32.098 31.823 0.006 0.000 1.000 474 V HN 0.725 nan 8.190 nan 0.000 0.456 475 A N 4.480 127.308 122.820 0.013 0.000 2.016 475 A HA 0.330 4.650 4.320 0.000 0.000 0.217 475 A C 1.036 178.540 177.584 -0.133 0.000 1.162 475 A CA 1.124 53.148 52.037 -0.023 0.000 0.662 475 A CB 0.038 19.082 19.000 0.073 0.000 0.812 475 A HN 1.121 nan 8.150 nan 0.000 0.450 476 S N -4.374 111.215 115.700 -0.185 0.000 2.636 476 S HA 0.603 5.073 4.470 0.000 0.000 0.266 476 S C -0.357 174.134 174.600 -0.181 0.000 1.116 476 S CA -0.010 58.068 58.200 -0.203 0.000 0.893 476 S CB 0.343 63.374 63.200 -0.281 0.000 1.171 476 S HN 1.942 nan 8.310 nan 0.000 0.482 477 G N 0.397 109.103 108.800 -0.158 0.000 2.313 477 G HA2 0.465 4.425 3.960 0.000 0.000 0.296 477 G HA3 0.465 4.425 3.960 0.000 0.000 0.296 477 G C -2.278 172.591 174.900 -0.051 0.000 1.356 477 G CA -0.372 44.670 45.100 -0.097 0.000 0.833 477 G HN 0.891 nan 8.290 nan 0.000 0.552 478 N N -0.512 118.197 118.700 0.014 0.000 2.262 478 N HA 0.736 5.476 4.740 0.000 0.000 0.295 478 N C -0.935 174.663 175.510 0.147 0.000 1.161 478 N CA -0.039 53.066 53.050 0.091 0.000 0.767 478 N CB 2.370 40.889 38.487 0.055 0.000 1.499 478 N HN 1.186 nan 8.380 nan 0.000 0.476 479 A N 1.031 123.982 122.820 0.219 0.000 2.359 479 A HA 0.536 4.856 4.320 0.000 0.000 0.303 479 A C -1.113 176.452 177.584 -0.033 0.000 1.066 479 A CA -0.602 51.481 52.037 0.076 0.000 0.730 479 A CB 1.152 20.189 19.000 0.062 0.000 1.211 479 A HN 0.443 nan 8.150 nan 0.000 0.439 480 S N 3.170 118.879 115.700 0.014 0.000 2.774 480 S HA 0.646 5.116 4.470 0.000 0.000 0.297 480 S C -0.596 174.034 174.600 0.050 0.000 1.143 480 S CA -0.459 57.769 58.200 0.047 0.000 1.090 480 S CB -0.301 62.945 63.200 0.076 0.000 1.019 480 S HN 0.602 nan 8.310 nan 0.000 0.482 481 L N 3.369 124.624 121.223 0.052 0.000 2.347 481 L HA 0.628 4.968 4.340 0.000 0.000 0.268 481 L C -0.244 176.686 176.870 0.099 0.000 1.019 481 L CA -1.287 53.549 54.840 -0.006 0.000 0.806 481 L CB 0.312 42.250 42.059 -0.202 0.000 1.339 481 L HN 0.787 nan 8.230 nan 0.000 0.463 482 Y N -0.369 119.912 120.300 -0.031 0.000 3.477 482 Y HA -0.242 4.308 4.550 0.000 0.000 0.216 482 Y C 0.052 175.907 175.900 -0.075 0.000 1.296 482 Y CA -0.047 58.014 58.100 -0.065 0.000 1.535 482 Y CB -2.122 36.295 38.460 -0.071 0.000 1.482 482 Y HN 0.509 nan 8.280 nan 0.000 0.597 483 N N 1.859 120.562 118.700 0.005 0.000 2.558 483 N HA 0.348 5.088 4.740 0.000 0.000 0.233 483 N C 0.046 175.540 175.510 -0.027 0.000 1.038 483 N CA 0.589 53.640 53.050 0.001 0.000 0.934 483 N CB 1.172 39.667 38.487 0.013 0.000 1.175 483 N HN 0.445 nan 8.380 nan 0.000 0.512 484 T N -1.031 113.523 114.554 -0.000 0.000 2.923 484 T HA 0.278 4.628 4.350 0.000 0.000 0.311 484 T C -1.321 173.419 174.700 0.067 0.000 1.183 484 T CA -0.739 61.364 62.100 0.004 0.000 1.020 484 T CB 1.508 70.355 68.868 -0.036 0.000 1.165 484 T HN 0.203 nan 8.240 nan 0.000 0.482 485 Y N 4.496 124.759 120.300 -0.062 0.000 2.342 485 Y HA 0.351 4.901 4.550 0.000 0.000 0.338 485 Y C 0.795 176.631 175.900 -0.107 0.000 0.965 485 Y CA -0.765 57.280 58.100 -0.092 0.000 1.159 485 Y CB 0.884 39.286 38.460 -0.096 0.000 1.157 485 Y HN 1.010 nan 8.280 nan 0.000 0.486 486 Q N 4.602 124.063 119.800 -0.565 0.000 2.410 486 Q HA -0.264 4.076 4.340 0.000 0.000 0.369 486 Q C 0.729 176.592 176.000 -0.227 0.000 1.342 486 Q CA 1.069 56.600 55.803 -0.454 0.000 1.133 486 Q CB -1.931 26.406 28.738 -0.668 0.000 1.288 486 Q HN 1.412 nan 8.270 nan 0.000 0.320 487 G N 1.119 109.835 108.800 -0.140 0.000 3.757 487 G HA2 -0.436 3.524 3.960 0.000 0.000 0.215 487 G HA3 -0.436 3.524 3.960 0.000 0.000 0.215 487 G C 0.138 174.999 174.900 -0.065 0.000 1.411 487 G CA 0.255 45.304 45.100 -0.085 0.000 0.896 487 G HN 0.781 nan 8.290 nan 0.000 0.581 488 K N 2.951 123.320 120.400 -0.051 0.000 2.491 488 K HA 0.319 4.639 4.320 0.000 0.000 0.279 488 K C -2.402 174.168 176.600 -0.049 0.000 1.026 488 K CA -0.458 55.809 56.287 -0.034 0.000 1.070 488 K CB 0.603 33.110 32.500 0.012 0.000 0.887 488 K HN 0.241 nan 8.250 nan 0.000 0.481 489 P HA 0.213 nan 4.420 nan 0.000 0.287 489 P C -0.535 176.667 177.300 -0.163 0.000 1.270 489 P CA -0.694 62.307 63.100 -0.163 0.000 0.844 489 P CB 0.660 32.197 31.700 -0.272 0.000 1.068 490 I N -1.246 119.228 120.570 -0.161 0.000 2.882 490 I HA 0.421 4.591 4.170 0.000 0.000 0.286 490 I C -2.381 173.617 176.117 -0.199 0.000 1.139 490 I CA -2.532 58.662 61.300 -0.176 0.000 1.379 490 I CB -0.424 37.565 38.000 -0.017 0.000 1.410 490 I HN 0.114 nan 8.210 nan 0.000 0.594 491 P HA 0.138 nan 4.420 nan 0.000 0.265 491 P C -2.493 174.800 177.300 -0.012 0.000 1.193 491 P CA -0.635 62.400 63.100 -0.109 0.000 0.765 491 P CB -0.232 31.422 31.700 -0.077 0.000 0.823 492 P HA 0.012 nan 4.420 nan 0.000 0.259 492 P C -0.695 176.639 177.300 0.058 0.000 1.211 492 P CA 0.785 63.928 63.100 0.071 0.000 0.810 492 P CB -0.228 31.541 31.700 0.115 0.000 0.815 493 T N 4.878 119.455 114.554 0.039 0.000 2.893 493 T HA 0.362 4.712 4.350 0.000 0.000 0.324 493 T C -0.202 174.457 174.700 -0.068 0.000 1.082 493 T CA -0.444 61.632 62.100 -0.039 0.000 0.983 493 T CB 0.170 68.946 68.868 -0.154 0.000 1.005 493 T HN 0.148 nan 8.240 nan 0.000 0.475 494 L N 5.104 126.290 121.223 -0.061 0.000 2.255 494 L HA 0.556 4.896 4.340 0.000 0.000 0.289 494 L C -0.453 176.387 176.870 -0.050 0.000 1.046 494 L CA -0.447 54.361 54.840 -0.054 0.000 0.816 494 L CB 0.537 42.558 42.059 -0.065 0.000 1.197 494 L HN 0.340 nan 8.230 nan 0.000 0.427 495 V N 5.850 125.750 119.914 -0.022 0.000 2.498 495 V HA 0.270 4.390 4.120 0.000 0.000 0.279 495 V C -0.031 176.083 176.094 0.033 0.000 1.048 495 V CA -0.506 61.810 62.300 0.026 0.000 0.967 495 V CB 1.507 33.382 31.823 0.086 0.000 0.988 495 V HN 0.487 nan 8.190 nan 0.000 0.473 496 V N 4.149 124.094 119.914 0.053 0.000 2.334 496 V HA 0.534 4.654 4.120 0.000 0.000 0.281 496 V C 0.746 176.893 176.094 0.089 0.000 1.016 496 V CA -0.380 61.960 62.300 0.068 0.000 0.832 496 V CB 1.411 33.282 31.823 0.081 0.000 0.999 496 V HN 0.968 nan 8.190 nan 0.000 0.439 497 G N 4.871 113.724 108.800 0.087 0.000 2.475 497 G HA2 0.520 4.480 3.960 0.000 0.000 0.322 497 G HA3 0.520 4.480 3.960 0.000 0.000 0.322 497 G C -0.485 174.508 174.900 0.155 0.000 1.044 497 G CA -0.413 44.748 45.100 0.101 0.000 1.047 497 G HN 0.636 nan 8.290 nan 0.000 0.436 498 M N 3.996 123.631 119.600 0.059 0.000 2.180 498 M HA 0.425 4.905 4.480 0.000 0.000 0.350 498 M C -0.725 175.514 176.300 -0.102 0.000 1.125 498 M CA -0.869 54.447 55.300 0.027 0.000 1.031 498 M CB 1.303 33.900 32.600 -0.005 0.000 1.623 498 M HN 0.247 nan 8.290 nan 0.000 0.451 499 L N 4.952 126.061 121.223 -0.190 0.000 2.312 499 L HA 0.786 5.126 4.340 0.000 0.000 0.281 499 L C -0.317 176.431 176.870 -0.203 0.000 1.070 499 L CA 0.144 54.743 54.840 -0.401 0.000 0.805 499 L CB 0.966 42.473 42.059 -0.919 0.000 1.174 499 L HN 0.887 nan 8.230 nan 0.000 0.434 500 G N 4.311 113.026 108.800 -0.141 0.000 2.605 500 G HA2 0.413 4.373 3.960 0.000 0.000 0.296 500 G HA3 0.413 4.373 3.960 0.000 0.000 0.296 500 G C -1.650 173.231 174.900 -0.032 0.000 1.304 500 G CA -0.606 44.441 45.100 -0.088 0.000 0.941 500 G HN 0.608 nan 8.290 nan 0.000 0.475 501 K N -0.459 119.928 120.400 -0.022 0.000 2.203 501 K HA 0.746 5.066 4.320 0.000 0.000 0.251 501 K C -1.532 175.074 176.600 0.009 0.000 0.944 501 K CA -0.703 55.594 56.287 0.016 0.000 0.829 501 K CB 2.266 34.772 32.500 0.011 0.000 1.125 501 K HN 0.507 nan 8.250 nan 0.000 0.430 502 V N 2.884 122.815 119.914 0.029 0.000 3.108 502 V HA 0.251 4.371 4.120 0.000 0.000 0.287 502 V C -1.976 174.134 176.094 0.027 0.000 1.436 502 V CA -0.969 61.339 62.300 0.014 0.000 1.001 502 V CB 2.165 33.983 31.823 -0.008 0.000 1.141 502 V HN 0.966 nan 8.190 nan 0.000 0.443 503 N N 6.036 124.750 118.700 0.024 0.000 2.420 503 N HA 0.449 5.189 4.740 0.000 0.000 0.249 503 N C -1.966 173.560 175.510 0.026 0.000 1.033 503 N CA -1.845 51.223 53.050 0.030 0.000 0.944 503 N CB 2.038 40.542 38.487 0.028 0.000 1.113 503 N HN 0.373 nan 8.380 nan 0.000 0.502 504 P HA -0.182 nan 4.420 nan 0.000 0.216 504 P C 0.806 178.126 177.300 0.033 0.000 1.154 504 P CA 1.607 64.722 63.100 0.025 0.000 0.865 504 P CB 0.290 32.004 31.700 0.023 0.000 0.789 505 Q N -0.841 118.978 119.800 0.032 0.000 2.368 505 Q HA -0.134 4.206 4.340 0.000 0.000 0.210 505 Q C 0.893 176.913 176.000 0.034 0.000 0.982 505 Q CA 0.902 56.724 55.803 0.033 0.000 0.884 505 Q CB -0.223 28.532 28.738 0.029 0.000 0.933 505 Q HN 0.286 nan 8.270 nan 0.000 0.460 506 K N 0.176 120.595 120.400 0.031 0.000 2.498 506 K HA 0.205 4.525 4.320 0.000 0.000 0.207 506 K C -0.571 176.048 176.600 0.031 0.000 1.033 506 K CA -0.017 56.287 56.287 0.029 0.000 1.138 506 K CB 1.005 33.518 32.500 0.021 0.000 0.860 506 K HN -0.069 nan 8.250 nan 0.000 0.490 507 V N 2.073 122.013 119.914 0.042 0.000 2.364 507 V HA 0.298 4.418 4.120 0.000 0.000 0.272 507 V C 0.235 176.381 176.094 0.088 0.000 1.036 507 V CA -1.070 61.262 62.300 0.053 0.000 0.880 507 V CB 1.018 32.873 31.823 0.054 0.000 0.991 507 V HN 0.260 nan 8.190 nan 0.000 0.460 508 A N 6.682 129.564 122.820 0.103 0.000 2.488 508 A HA 0.429 4.749 4.320 0.000 0.000 0.249 508 A C 0.267 178.026 177.584 0.291 0.000 1.083 508 A CA -0.045 52.095 52.037 0.172 0.000 0.768 508 A CB 0.124 19.233 19.000 0.183 0.000 1.017 508 A HN 0.788 nan 8.150 nan 0.000 0.496 509 K N 2.474 122.965 120.400 0.152 0.000 2.156 509 K HA 0.464 4.784 4.320 0.000 0.000 0.250 509 K C -2.774 173.571 176.600 -0.425 0.000 0.955 509 K CA -1.847 54.428 56.287 -0.020 0.000 0.855 509 K CB 1.270 33.828 32.500 0.096 0.000 1.101 509 K HN 0.375 nan 8.250 nan 0.000 0.434 510 P HA -0.021 nan 4.420 nan 0.000 0.266 510 P C -1.203 175.802 177.300 -0.492 0.000 1.195 510 P CA 0.257 62.658 63.100 -1.165 0.000 0.768 510 P CB 0.387 31.266 31.700 -1.368 0.000 0.838 511 K N 1.642 121.838 120.400 -0.340 0.000 2.568 511 K HA 0.526 4.846 4.320 0.000 0.000 0.273 511 K C -3.291 173.238 176.600 -0.119 0.000 0.951 511 K CA -2.517 53.687 56.287 -0.139 0.000 0.854 511 K CB 0.612 33.074 32.500 -0.063 0.000 1.424 511 K HN -0.019 nan 8.250 nan 0.000 0.427 512 P HA -0.058 nan 4.420 nan 0.000 0.260 512 P C -0.929 176.355 177.300 -0.028 0.000 1.172 512 P CA 0.508 63.573 63.100 -0.058 0.000 0.760 512 P CB 0.491 32.172 31.700 -0.032 0.000 0.773 513 S N 1.688 117.379 115.700 -0.015 0.000 2.636 513 S HA 0.498 4.968 4.470 0.000 0.000 0.268 513 S C -1.244 173.361 174.600 0.010 0.000 1.159 513 S CA -1.182 57.041 58.200 0.040 0.000 0.815 513 S CB 1.259 64.525 63.200 0.112 0.000 1.130 513 S HN 0.153 nan 8.310 nan 0.000 0.471 514 K N 0.880 121.298 120.400 0.029 0.000 2.172 514 K HA 0.613 4.933 4.320 0.000 0.000 0.276 514 K C -1.069 175.344 176.600 -0.311 0.000 1.013 514 K CA -0.724 55.454 56.287 -0.182 0.000 0.913 514 K CB 1.477 33.857 32.500 -0.201 0.000 1.055 514 K HN 0.441 nan 8.250 nan 0.000 0.461 515 V N 4.639 124.204 119.914 -0.582 0.000 2.383 515 V HA 0.346 4.466 4.120 0.000 0.000 0.275 515 V C -0.662 174.979 176.094 -0.755 0.000 1.036 515 V CA -0.572 61.286 62.300 -0.735 0.000 0.889 515 V CB -0.063 31.315 31.823 -0.742 0.000 0.985 515 V HN 0.501 nan 8.190 nan 0.000 0.459 516 F N 2.316 122.032 119.950 -0.389 0.000 2.532 516 F HA 0.764 5.291 4.527 0.000 0.000 0.321 516 F C 0.458 176.116 175.800 -0.235 0.000 1.089 516 F CA -0.884 56.968 58.000 -0.247 0.000 0.926 516 F CB 1.757 40.651 39.000 -0.177 0.000 1.168 516 F HN 0.514 nan 8.300 nan 0.000 0.459 517 A N 2.351 125.165 122.820 -0.010 0.000 2.289 517 A HA 0.712 5.032 4.320 0.000 0.000 0.298 517 A C -0.980 176.573 177.584 -0.052 0.000 1.208 517 A CA -0.491 51.514 52.037 -0.053 0.000 0.845 517 A CB 0.337 19.294 19.000 -0.073 0.000 1.125 517 A HN 0.577 nan 8.150 nan 0.000 0.517 518 V N 2.853 122.724 119.914 -0.072 0.000 2.443 518 V HA 0.802 4.922 4.120 0.000 0.000 0.293 518 V C 0.684 176.657 176.094 -0.201 0.000 1.021 518 V CA 0.648 62.862 62.300 -0.142 0.000 0.848 518 V CB 0.587 32.343 31.823 -0.113 0.000 0.998 518 V HN 1.858 nan 8.190 nan 0.000 0.424 519 G N 4.096 112.636 108.800 -0.433 0.000 2.240 519 G HA2 0.010 3.970 3.960 0.000 0.000 0.199 519 G HA3 0.010 3.970 3.960 0.000 0.000 0.199 519 G C -1.709 172.723 174.900 -0.781 0.000 1.342 519 G CA -0.441 44.266 45.100 -0.656 0.000 1.145 519 G HN 0.533 nan 8.290 nan 0.000 0.477 520 W N 0.526 121.877 121.300 0.085 0.000 3.031 520 W HA 0.351 5.011 4.660 0.000 0.000 0.337 520 W C 0.639 177.219 176.519 0.103 0.000 1.187 520 W CA -0.060 57.327 57.345 0.071 0.000 1.166 520 W CB 1.754 31.246 29.460 0.054 0.000 1.437 520 W HN 0.743 nan 8.180 nan 0.000 0.551 521 N N 0.210 119.088 118.700 0.296 0.000 2.409 521 N HA -0.145 4.595 4.740 0.000 0.000 0.179 521 N C 0.110 175.786 175.510 0.275 0.000 1.032 521 N CA 1.101 54.267 53.050 0.194 0.000 0.898 521 N CB 0.054 38.613 38.487 0.121 0.000 0.971 521 N HN 0.314 nan 8.380 nan 0.000 0.441 522 D N -0.867 119.709 120.400 0.293 0.000 2.621 522 D HA 0.272 4.912 4.640 0.000 0.000 0.255 522 D C -1.139 175.335 176.300 0.290 0.000 1.122 522 D CA -0.763 53.391 54.000 0.256 0.000 1.096 522 D CB 1.030 41.916 40.800 0.143 0.000 1.282 522 D HN 0.020 nan 8.370 nan 0.000 0.619 523 F N -0.678 119.302 119.950 0.051 0.000 2.520 523 F HA 0.470 4.997 4.527 0.000 0.000 0.322 523 F C -1.033 174.692 175.800 -0.126 0.000 1.103 523 F CA -0.615 57.378 58.000 -0.011 0.000 0.926 523 F CB 2.085 41.103 39.000 0.030 0.000 1.154 523 F HN 0.292 nan 8.300 nan 0.000 0.453 524 E N 6.229 125.884 120.200 -0.908 0.000 2.621 524 E HA 0.170 4.520 4.350 0.000 0.000 0.263 524 E C 0.266 176.236 176.600 -1.050 0.000 1.033 524 E CA -0.394 55.561 56.400 -0.742 0.000 0.778 524 E CB 1.530 30.899 29.700 -0.550 0.000 1.426 524 E HN 0.802 nan 8.360 nan 0.000 0.394 525 L N 2.808 123.395 121.223 -1.061 0.000 2.107 525 L HA -0.385 3.955 4.340 0.000 0.000 0.240 525 L C 1.919 178.526 176.870 -0.439 0.000 1.115 525 L CA 2.173 56.619 54.840 -0.656 0.000 0.840 525 L CB -0.107 41.942 42.059 -0.017 0.000 0.935 525 L HN 0.566 nan 8.230 nan 0.000 0.449 526 E N 0.105 120.179 120.200 -0.210 0.000 2.065 526 E HA -0.293 4.057 4.350 0.000 0.000 0.201 526 E C 2.173 178.696 176.600 -0.129 0.000 1.016 526 E CA 2.041 58.423 56.400 -0.031 0.000 0.818 526 E CB -0.590 29.081 29.700 -0.047 0.000 0.749 526 E HN 0.763 nan 8.360 nan 0.000 0.453 527 R N 1.206 121.519 120.500 -0.312 0.000 2.377 527 R HA -0.075 4.265 4.340 0.000 0.000 0.207 527 R C 1.682 177.815 176.300 -0.278 0.000 1.075 527 R CA 1.145 57.040 56.100 -0.341 0.000 1.035 527 R CB -0.082 29.827 30.300 -0.652 0.000 0.857 527 R HN -0.018 nan 8.270 nan 0.000 0.475 528 E N 2.116 122.128 120.200 -0.315 0.000 2.110 528 E HA -0.155 4.195 4.350 0.000 0.000 0.193 528 E C 1.214 177.375 176.600 -0.732 0.000 0.988 528 E CA 1.616 57.781 56.400 -0.392 0.000 0.804 528 E CB 0.090 29.579 29.700 -0.352 0.000 0.745 528 E HN 0.457 nan 8.360 nan 0.000 0.458 529 K N 0.075 120.105 120.400 -0.616 0.000 2.211 529 K HA -0.088 4.232 4.320 0.000 0.000 0.203 529 K C 1.880 178.404 176.600 -0.126 0.000 1.050 529 K CA 1.023 56.989 56.287 -0.534 0.000 0.945 529 K CB 0.039 32.296 32.500 -0.405 0.000 0.732 529 K HN 0.104 nan 8.250 nan 0.000 0.451 530 E N 1.077 121.245 120.200 -0.053 0.000 2.208 530 E HA -0.085 4.265 4.350 0.000 0.000 0.193 530 E C 1.911 178.611 176.600 0.167 0.000 0.988 530 E CA 0.471 56.923 56.400 0.086 0.000 0.828 530 E CB 0.025 29.807 29.700 0.137 0.000 0.763 530 E HN 0.300 nan 8.360 nan 0.000 0.478 531 L N -0.381 120.957 121.223 0.192 0.000 2.072 531 L HA -0.126 4.214 4.340 0.000 0.000 0.205 531 L C 2.037 179.100 176.870 0.322 0.000 1.079 531 L CA 0.848 55.841 54.840 0.256 0.000 0.752 531 L CB -0.128 42.130 42.059 0.331 0.000 0.906 531 L HN 0.172 nan 8.230 nan 0.000 0.436 532 W N 0.254 121.625 121.300 0.119 0.000 2.379 532 W HA -0.128 4.532 4.660 0.000 0.000 0.307 532 W C 2.727 179.272 176.519 0.044 0.000 1.200 532 W CA 0.680 58.070 57.345 0.076 0.000 1.297 532 W CB -1.137 28.367 29.460 0.075 0.000 1.140 532 W HN 0.164 nan 8.180 nan 0.000 0.507 533 R N 0.425 121.096 120.500 0.285 0.000 2.103 533 R HA -0.196 4.144 4.340 0.000 0.000 0.242 533 R C 2.285 178.651 176.300 0.110 0.000 1.142 533 R CA 2.242 58.436 56.100 0.156 0.000 0.960 533 R CB -0.578 29.787 30.300 0.108 0.000 0.858 533 R HN 0.082 nan 8.270 nan 0.000 0.439 534 A N 0.803 123.689 122.820 0.110 0.000 1.873 534 A HA -0.138 4.182 4.320 0.000 0.000 0.215 534 A C 2.130 179.742 177.584 0.046 0.000 1.186 534 A CA 1.398 53.467 52.037 0.055 0.000 0.616 534 A CB -0.500 18.518 19.000 0.031 0.000 0.823 534 A HN 0.321 nan 8.150 nan 0.000 0.442 535 I N -0.703 119.920 120.570 0.087 0.000 2.264 535 I HA -0.298 3.872 4.170 0.000 0.000 0.248 535 I C 2.773 178.908 176.117 0.030 0.000 1.111 535 I CA 1.338 62.672 61.300 0.056 0.000 1.382 535 I CB -0.431 37.620 38.000 0.085 0.000 1.060 535 I HN 0.318 nan 8.210 nan 0.000 0.418 536 R N 0.861 121.392 120.500 0.051 0.000 2.073 536 R HA -0.204 4.136 4.340 0.000 0.000 0.234 536 R C 2.340 178.649 176.300 0.015 0.000 1.134 536 R CA 1.465 57.582 56.100 0.029 0.000 0.952 536 R CB -0.437 29.891 30.300 0.047 0.000 0.850 536 R HN 0.358 nan 8.270 nan 0.000 0.433 537 K N 0.666 121.075 120.400 0.016 0.000 2.002 537 K HA -0.159 4.161 4.320 0.000 0.000 0.209 537 K C 2.058 178.652 176.600 -0.010 0.000 1.048 537 K CA 1.157 57.445 56.287 0.002 0.000 0.930 537 K CB -0.023 32.475 32.500 -0.003 0.000 0.714 537 K HN -0.058 nan 8.250 nan 0.000 0.438 538 L N 1.293 122.505 121.223 -0.018 0.000 1.989 538 L HA -0.170 4.170 4.340 0.000 0.000 0.211 538 L C 2.656 179.518 176.870 -0.013 0.000 1.071 538 L CA 1.877 56.701 54.840 -0.028 0.000 0.749 538 L CB -1.551 40.485 42.059 -0.039 0.000 0.890 538 L HN 0.299 nan 8.230 nan 0.000 0.431 539 S N -0.865 114.827 115.700 -0.013 0.000 2.370 539 S HA -0.250 4.220 4.470 0.000 0.000 0.226 539 S C 2.007 176.605 174.600 -0.003 0.000 1.033 539 S CA 1.530 59.721 58.200 -0.014 0.000 1.011 539 S CB -0.136 63.048 63.200 -0.028 0.000 0.852 539 S HN 0.482 nan 8.310 nan 0.000 0.457 540 E N 1.381 121.580 120.200 -0.002 0.000 2.110 540 E HA -0.131 4.219 4.350 0.000 0.000 0.193 540 E C 1.434 178.036 176.600 0.004 0.000 0.988 540 E CA 1.555 57.956 56.400 0.002 0.000 0.804 540 E CB -0.346 29.355 29.700 0.002 0.000 0.745 540 E HN 0.746 nan 8.360 nan 0.000 0.458 541 E N -1.003 119.197 120.200 0.000 0.000 2.403 541 E HA 0.192 4.542 4.350 0.000 0.000 0.187 541 E C 0.826 177.433 176.600 0.012 0.000 1.073 541 E CA 0.311 56.712 56.400 0.001 0.000 0.888 541 E CB 0.051 29.744 29.700 -0.012 0.000 1.035 541 E HN 0.396 nan 8.360 nan 0.000 0.471 542 G N 1.284 110.096 108.800 0.020 0.000 2.162 542 G HA2 -0.365 3.595 3.960 0.000 0.000 0.260 542 G HA3 -0.365 3.595 3.960 0.000 0.000 0.260 542 G C 0.466 175.403 174.900 0.061 0.000 0.976 542 G CA 0.080 45.203 45.100 0.038 0.000 0.655 542 G HN 0.528 nan 8.290 nan 0.000 0.533 543 A N -0.406 122.445 122.820 0.051 0.000 2.445 543 A HA 0.606 4.926 4.320 0.000 0.000 0.242 543 A C 0.064 177.724 177.584 0.126 0.000 1.075 543 A CA 0.006 52.098 52.037 0.091 0.000 0.777 543 A CB 0.373 19.404 19.000 0.051 0.000 1.013 543 A HN 1.240 nan 8.150 nan 0.000 0.493 544 F N 1.552 121.529 119.950 0.045 0.000 2.384 544 F HA 0.648 5.175 4.527 0.000 0.000 0.338 544 F C -0.168 175.685 175.800 0.088 0.000 1.103 544 F CA -0.546 57.443 58.000 -0.018 0.000 1.157 544 F CB 0.617 39.529 39.000 -0.146 0.000 1.167 544 F HN 0.395 nan 8.300 nan 0.000 0.529 545 I N 6.634 126.777 120.570 -0.711 0.000 2.656 545 I HA 0.317 4.487 4.170 0.000 0.000 0.292 545 I C -1.327 174.508 176.117 -0.470 0.000 1.144 545 I CA -0.672 60.432 61.300 -0.326 0.000 1.038 545 I CB 2.142 40.045 38.000 -0.161 0.000 1.244 545 I HN 0.366 nan 8.210 nan 0.000 0.420 546 L N 4.077 125.208 121.223 -0.154 0.000 2.329 546 L HA 0.571 4.911 4.340 0.000 0.000 0.279 546 L C -0.086 176.782 176.870 -0.004 0.000 1.014 546 L CA -0.534 54.210 54.840 -0.160 0.000 0.814 546 L CB 1.960 43.898 42.059 -0.202 0.000 1.257 546 L HN 0.527 nan 8.230 nan 0.000 0.424 547 S N 1.742 117.459 115.700 0.028 0.000 2.653 547 S HA 0.494 4.964 4.470 0.000 0.000 0.272 547 S C -0.873 173.802 174.600 0.125 0.000 1.221 547 S CA -0.329 57.920 58.200 0.083 0.000 1.149 547 S CB 0.860 64.077 63.200 0.028 0.000 1.029 547 S HN 0.628 nan 8.310 nan 0.000 0.481 548 S N 2.810 118.642 115.700 0.220 0.000 2.549 548 S HA 0.522 4.992 4.470 0.000 0.000 0.280 548 S C 1.082 175.854 174.600 0.288 0.000 1.109 548 S CA -0.551 57.800 58.200 0.252 0.000 0.905 548 S CB 1.716 65.167 63.200 0.419 0.000 1.081 548 S HN 0.536 nan 8.310 nan 0.000 0.477 549 S N 2.503 118.333 115.700 0.217 0.000 2.400 549 S HA -0.109 4.361 4.470 0.000 0.000 0.232 549 S C 1.433 176.231 174.600 0.330 0.000 1.025 549 S CA 1.253 59.600 58.200 0.245 0.000 0.993 549 S CB -0.226 63.044 63.200 0.115 0.000 0.808 549 S HN 0.788 nan 8.310 nan 0.000 0.478 550 Q N 0.101 120.041 119.800 0.233 0.000 2.360 550 Q HA 0.353 4.693 4.340 0.000 0.000 0.202 550 Q C 0.739 176.855 176.000 0.194 0.000 0.915 550 Q CA -0.033 55.878 55.803 0.180 0.000 0.943 550 Q CB 0.086 28.907 28.738 0.138 0.000 1.064 550 Q HN 0.388 nan 8.270 nan 0.000 0.511 551 L N -1.656 119.717 121.223 0.250 0.000 3.159 551 L HA -0.309 4.031 4.340 0.000 0.000 0.370 551 L C -0.077 176.970 176.870 0.296 0.000 1.458 551 L CA 1.197 56.165 54.840 0.214 0.000 3.093 551 L CB -1.010 41.103 42.059 0.090 0.000 1.152 551 L HN 0.295 nan 8.230 nan 0.000 0.779 552 L N 0.084 121.502 121.223 0.326 0.000 2.455 552 L HA 0.693 5.033 4.340 0.000 0.000 0.264 552 L C -0.081 177.005 176.870 0.359 0.000 0.968 552 L CA 0.616 55.751 54.840 0.491 0.000 0.827 552 L CB 1.965 44.240 42.059 0.361 0.000 1.317 552 L HN 0.257 nan 8.230 nan 0.000 0.407 553 T N 0.266 115.011 114.554 0.318 0.000 2.883 553 T HA 0.439 4.789 4.350 0.000 0.000 0.284 553 T C 0.891 175.628 174.700 0.061 0.000 1.041 553 T CA -0.428 61.702 62.100 0.049 0.000 1.007 553 T CB 1.401 70.168 68.868 -0.168 0.000 1.220 553 T HN 0.735 nan 8.240 nan 0.000 0.552 554 R N -0.234 120.272 120.500 0.011 0.000 2.096 554 R HA -0.084 4.256 4.340 0.000 0.000 0.235 554 R C 2.073 178.366 176.300 -0.011 0.000 1.127 554 R CA 2.040 58.151 56.100 0.019 0.000 0.968 554 R CB -1.020 29.275 30.300 -0.009 0.000 0.861 554 R HN 0.805 nan 8.270 nan 0.000 0.440 555 T N -0.223 114.273 114.554 -0.097 0.000 2.684 555 T HA -0.166 4.184 4.350 0.000 0.000 0.267 555 T C 1.400 176.042 174.700 -0.097 0.000 1.036 555 T CA 1.835 63.849 62.100 -0.144 0.000 1.148 555 T CB -0.445 68.291 68.868 -0.221 0.000 0.863 555 T HN 0.545 nan 8.240 nan 0.000 0.436 556 H N -0.055 118.997 119.070 -0.031 0.000 2.319 556 H HA -0.086 4.470 4.556 0.000 0.000 0.297 556 H C 2.375 177.681 175.328 -0.037 0.000 1.097 556 H CA 1.250 57.284 56.048 -0.023 0.000 1.285 556 H CB -0.197 29.649 29.762 0.140 0.000 1.368 556 H HN 0.122 nan 8.280 nan 0.000 0.495 557 V N 0.665 120.747 119.914 0.280 0.000 2.307 557 V HA -0.211 3.909 4.120 0.000 0.000 0.245 557 V C 2.189 178.408 176.094 0.207 0.000 1.045 557 V CA 1.811 64.312 62.300 0.334 0.000 1.024 557 V CB -0.399 31.567 31.823 0.239 0.000 0.651 557 V HN 0.320 nan 8.190 nan 0.000 0.449 558 E N 0.710 120.958 120.200 0.080 0.000 2.021 558 E HA -0.214 4.136 4.350 0.000 0.000 0.200 558 E C 2.356 178.960 176.600 0.005 0.000 1.015 558 E CA 2.353 58.766 56.400 0.021 0.000 0.824 558 E CB -0.760 28.912 29.700 -0.047 0.000 0.762 558 E HN 0.627 nan 8.360 nan 0.000 0.454 559 T N 0.337 114.814 114.554 -0.127 0.000 2.737 559 T HA -0.170 4.180 4.350 0.000 0.000 0.269 559 T C 1.564 176.285 174.700 0.035 0.000 1.040 559 T CA 1.298 63.237 62.100 -0.267 0.000 1.142 559 T CB -0.446 67.862 68.868 -0.933 0.000 0.861 559 T HN 0.057 nan 8.240 nan 0.000 0.456 560 F N 1.671 121.758 119.950 0.228 0.000 2.134 560 F HA 0.022 4.549 4.527 0.000 0.000 0.299 560 F C 2.503 178.421 175.800 0.196 0.000 1.097 560 F CA 0.542 58.696 58.000 0.257 0.000 1.264 560 F CB -0.591 38.509 39.000 0.167 0.000 1.001 560 F HN 0.035 nan 8.300 nan 0.000 0.479 561 R N 0.193 120.882 120.500 0.315 0.000 2.127 561 R HA -0.197 4.143 4.340 0.000 0.000 0.238 561 R C 1.952 178.344 176.300 0.153 0.000 1.134 561 R CA 1.562 57.776 56.100 0.190 0.000 0.975 561 R CB -0.571 29.801 30.300 0.120 0.000 0.865 561 R HN 0.389 nan 8.270 nan 0.000 0.447 562 E N -0.654 119.634 120.200 0.147 0.000 2.265 562 E HA -0.188 4.162 4.350 0.000 0.000 0.196 562 E C 0.827 177.436 176.600 0.016 0.000 0.996 562 E CA 1.030 57.461 56.400 0.052 0.000 0.832 562 E CB 0.064 29.767 29.700 0.005 0.000 0.756 562 E HN 0.414 nan 8.360 nan 0.000 0.491 563 Y N -0.732 119.614 120.300 0.077 0.000 2.457 563 Y HA 0.214 4.764 4.550 0.000 0.000 0.263 563 Y C 1.286 177.214 175.900 0.048 0.000 1.164 563 Y CA 0.415 58.555 58.100 0.068 0.000 1.274 563 Y CB 1.191 39.715 38.460 0.107 0.000 1.097 563 Y HN 0.020 nan 8.280 nan 0.000 0.523 564 G N 1.239 110.145 108.800 0.177 0.000 2.256 564 G HA2 -0.258 3.702 3.960 0.000 0.000 0.272 564 G HA3 -0.258 3.702 3.960 0.000 0.000 0.272 564 G C -0.545 174.418 174.900 0.103 0.000 1.076 564 G CA 0.043 45.207 45.100 0.107 0.000 0.882 564 G HN 0.257 nan 8.290 nan 0.000 0.497 565 L N -0.573 120.732 121.223 0.137 0.000 2.362 565 L HA 0.631 4.971 4.340 0.000 0.000 0.271 565 L C 0.067 176.963 176.870 0.045 0.000 1.002 565 L CA -1.198 53.672 54.840 0.051 0.000 0.818 565 L CB 1.969 44.015 42.059 -0.023 0.000 1.298 565 L HN -0.126 nan 8.230 nan 0.000 0.420 566 K N 2.828 123.218 120.400 -0.017 0.000 2.235 566 K HA 0.466 4.786 4.320 0.000 0.000 0.266 566 K C -1.047 175.519 176.600 -0.056 0.000 0.980 566 K CA -0.688 55.599 56.287 -0.000 0.000 0.849 566 K CB 2.487 34.988 32.500 0.002 0.000 1.098 566 K HN 0.394 nan 8.250 nan 0.000 0.445 567 I N 2.841 123.409 120.570 -0.003 0.000 2.328 567 I HA 0.119 4.289 4.170 0.000 0.000 0.287 567 I C -0.396 175.739 176.117 0.031 0.000 1.012 567 I CA -0.083 61.213 61.300 -0.006 0.000 1.195 567 I CB 0.673 38.749 38.000 0.128 0.000 1.350 567 I HN 0.376 nan 8.210 nan 0.000 0.464 568 E N 8.254 128.445 120.200 -0.014 0.000 2.145 568 E HA 0.519 4.869 4.350 0.000 0.000 0.262 568 E C -1.727 174.846 176.600 -0.045 0.000 0.883 568 E CA -0.407 55.982 56.400 -0.018 0.000 0.748 568 E CB 1.401 31.082 29.700 -0.031 0.000 1.140 568 E HN 0.463 nan 8.360 nan 0.000 0.417 569 V N 1.357 121.255 119.914 -0.027 0.000 3.114 569 V HA 0.552 4.672 4.120 0.000 0.000 0.308 569 V C -0.311 175.759 176.094 -0.041 0.000 1.168 569 V CA -1.225 61.040 62.300 -0.059 0.000 1.015 569 V CB 1.977 33.761 31.823 -0.065 0.000 1.050 569 V HN 0.511 nan 8.190 nan 0.000 0.433 570 K N 2.363 122.726 120.400 -0.061 0.000 2.559 570 K HA 0.515 4.835 4.320 0.000 0.000 0.236 570 K C -0.349 176.226 176.600 -0.041 0.000 1.185 570 K CA -0.503 55.758 56.287 -0.044 0.000 1.157 570 K CB -0.051 32.418 32.500 -0.053 0.000 1.782 570 K HN 0.754 nan 8.250 nan 0.000 0.419 571 L N 3.623 124.832 121.223 -0.024 0.000 2.737 571 L HA -0.053 4.287 4.340 0.000 0.000 0.279 571 L C -1.835 175.021 176.870 -0.025 0.000 1.200 571 L CA -0.952 53.877 54.840 -0.018 0.000 0.952 571 L CB -0.155 41.912 42.059 0.014 0.000 1.240 571 L HN 0.300 nan 8.230 nan 0.000 0.486 572 P HA 0.021 nan 4.420 nan 0.000 0.267 572 P C -0.560 176.720 177.300 -0.033 0.000 1.200 572 P CA -0.136 62.940 63.100 -0.039 0.000 0.772 572 P CB 0.473 32.140 31.700 -0.055 0.000 0.855 573 E N 0.635 120.826 120.200 -0.014 0.000 2.376 573 E HA 0.252 4.602 4.350 0.000 0.000 0.266 573 E C -0.443 176.153 176.600 -0.008 0.000 1.009 573 E CA -0.128 56.271 56.400 -0.001 0.000 0.902 573 E CB 0.727 30.435 29.700 0.013 0.000 0.972 573 E HN 0.102 nan 8.360 nan 0.000 0.439 574 V N 3.175 123.084 119.914 -0.008 0.000 3.001 574 V HA 0.409 4.529 4.120 0.000 0.000 0.314 574 V C -0.458 175.684 176.094 0.080 0.000 1.099 574 V CA -0.798 61.494 62.300 -0.013 0.000 0.989 574 V CB 2.219 33.918 31.823 -0.207 0.000 1.040 574 V HN 0.556 nan 8.190 nan 0.000 0.434 575 R N 3.695 124.287 120.500 0.153 0.000 2.577 575 R HA 0.451 4.791 4.340 0.000 0.000 0.269 575 R C -1.822 174.607 176.300 0.215 0.000 1.084 575 R CA -1.477 54.731 56.100 0.181 0.000 1.163 575 R CB 0.521 30.942 30.300 0.203 0.000 1.100 575 R HN 0.427 nan 8.270 nan 0.000 0.547 576 P HA -0.073 nan 4.420 nan 0.000 0.214 576 P C -0.811 176.478 177.300 -0.020 0.000 1.163 576 P CA 1.517 64.651 63.100 0.055 0.000 0.883 576 P CB 0.201 31.914 31.700 0.021 0.000 0.788 577 A N -0.063 122.729 122.820 -0.047 0.000 2.444 577 A HA 0.451 4.771 4.320 0.000 0.000 0.332 577 A C -0.366 177.285 177.584 0.112 0.000 1.430 577 A CA -0.282 51.660 52.037 -0.158 0.000 0.975 577 A CB -0.949 17.827 19.000 -0.375 0.000 1.147 577 A HN 0.327 nan 8.150 nan 0.000 0.524 578 H N -0.887 118.277 119.070 0.158 0.000 2.797 578 H HA 0.710 5.266 4.556 0.000 0.000 0.362 578 H C -0.487 175.038 175.328 0.329 0.000 1.183 578 H CA -0.961 55.236 56.048 0.250 0.000 1.197 578 H CB 1.082 30.955 29.762 0.186 0.000 1.835 578 H HN 0.315 nan 8.280 nan 0.000 0.567 579 Q N 0.843 120.991 119.800 0.581 0.000 2.462 579 Q HA 0.288 4.628 4.340 0.000 0.000 0.395 579 Q C -1.027 175.294 176.000 0.536 0.000 0.911 579 Q CA -0.234 55.898 55.803 0.549 0.000 1.112 579 Q CB 0.561 29.640 28.738 0.568 0.000 1.350 579 Q HN 0.575 nan 8.270 nan 0.000 0.407 580 M N 1.210 121.194 119.600 0.639 0.000 2.530 580 M HA 0.634 5.114 4.480 0.000 0.000 0.307 580 M C -1.178 175.288 176.300 0.278 0.000 1.161 580 M CA -1.005 54.465 55.300 0.284 0.000 0.903 580 M CB 1.797 34.432 32.600 0.059 0.000 1.711 580 M HN 0.122 nan 8.290 nan 0.000 0.451 581 V N 1.887 121.878 119.914 0.128 0.000 3.141 581 V HA 0.663 4.783 4.120 0.000 0.000 0.312 581 V C -1.472 174.655 176.094 0.055 0.000 1.157 581 V CA -0.971 61.400 62.300 0.118 0.000 1.041 581 V CB 2.216 34.097 31.823 0.096 0.000 1.071 581 V HN 0.877 nan 8.190 nan 0.000 0.441 582 L N 2.194 123.461 121.223 0.074 0.000 2.280 582 L HA 0.639 4.979 4.340 0.000 0.000 0.287 582 L C -0.807 176.102 176.870 0.064 0.000 1.023 582 L CA -0.721 54.131 54.840 0.020 0.000 0.819 582 L CB 1.733 43.850 42.059 0.098 0.000 1.212 582 L HN 0.548 nan 8.230 nan 0.000 0.420 583 V N 3.725 123.612 119.914 -0.045 0.000 2.398 583 V HA 0.406 4.526 4.120 0.000 0.000 0.286 583 V C -0.487 175.631 176.094 0.039 0.000 1.026 583 V CA -0.415 61.936 62.300 0.084 0.000 0.868 583 V CB 1.440 33.283 31.823 0.034 0.000 0.982 583 V HN 0.340 nan 8.190 nan 0.000 0.443 584 F N 3.462 123.509 119.950 0.161 0.000 2.388 584 F HA 0.749 5.276 4.527 0.000 0.000 0.358 584 F C 0.527 176.419 175.800 0.154 0.000 1.122 584 F CA -0.420 57.680 58.000 0.168 0.000 1.056 584 F CB 1.780 40.858 39.000 0.131 0.000 1.155 584 F HN 0.570 nan 8.300 nan 0.000 0.461 585 S N 0.927 116.815 115.700 0.312 0.000 2.588 585 S HA 0.453 4.923 4.470 0.000 0.000 0.269 585 S C 0.110 174.838 174.600 0.213 0.000 1.157 585 S CA -1.000 57.320 58.200 0.200 0.000 0.824 585 S CB 1.811 65.062 63.200 0.085 0.000 1.126 585 S HN 0.529 nan 8.310 nan 0.000 0.464 586 E N 0.820 121.094 120.200 0.124 0.000 2.005 586 E HA 0.035 4.385 4.350 0.000 0.000 0.191 586 E C 0.794 177.473 176.600 0.131 0.000 0.987 586 E CA 0.281 56.745 56.400 0.106 0.000 0.814 586 E CB -0.063 29.672 29.700 0.057 0.000 0.772 586 E HN 0.451 nan 8.360 nan 0.000 0.453 587 R N 2.140 122.675 120.500 0.058 0.000 2.590 587 R HA 0.054 4.394 4.340 0.000 0.000 0.274 587 R C -0.707 175.530 176.300 -0.105 0.000 1.061 587 R CA 0.364 56.468 56.100 0.006 0.000 1.081 587 R CB 0.488 30.770 30.300 -0.029 0.000 0.984 587 R HN 0.004 nan 8.270 nan 0.000 0.448 588 T N 7.523 121.995 114.554 -0.136 0.000 2.853 588 T HA 0.149 4.499 4.350 0.000 0.000 0.298 588 T C -2.197 172.163 174.700 -0.566 0.000 0.978 588 T CA -0.672 61.102 62.100 -0.543 0.000 1.152 588 T CB 0.711 69.480 68.868 -0.165 0.000 0.914 588 T HN 0.443 nan 8.240 nan 0.000 0.539 589 P HA 0.043 nan 4.420 nan 0.000 0.264 589 P C -0.882 176.245 177.300 -0.288 0.000 1.179 589 P CA -0.002 62.818 63.100 -0.466 0.000 0.763 589 P CB 0.398 31.804 31.700 -0.491 0.000 0.806 590 V N 4.471 124.275 119.914 -0.183 0.000 2.320 590 V HA 0.260 4.380 4.120 0.000 0.000 0.268 590 V C 0.314 176.353 176.094 -0.091 0.000 1.021 590 V CA -0.281 61.946 62.300 -0.122 0.000 0.813 590 V CB 1.013 32.782 31.823 -0.090 0.000 1.054 590 V HN 0.391 nan 8.190 nan 0.000 0.444 591 V N 0.651 120.509 119.914 -0.093 0.000 3.156 591 V HA 0.679 4.799 4.120 0.000 0.000 0.311 591 V C -0.296 175.768 176.094 -0.051 0.000 1.208 591 V CA -1.025 61.236 62.300 -0.065 0.000 1.063 591 V CB 2.435 34.214 31.823 -0.074 0.000 1.098 591 V HN 0.472 nan 8.190 nan 0.000 0.452 592 D N 0.392 120.778 120.400 -0.022 0.000 2.889 592 D HA 0.534 5.174 4.640 0.000 0.000 0.243 592 D C -0.409 175.899 176.300 0.013 0.000 1.270 592 D CA 0.391 54.394 54.000 0.005 0.000 0.838 592 D CB 0.570 41.390 40.800 0.033 0.000 1.040 592 D HN 0.442 nan 8.370 nan 0.000 0.480 593 V N 0.551 120.418 119.914 -0.080 0.000 3.049 593 V HA 0.363 4.483 4.120 0.000 0.000 0.309 593 V C -2.290 173.618 176.094 -0.310 0.000 1.148 593 V CA -2.265 59.890 62.300 -0.242 0.000 0.990 593 V CB 2.509 34.122 31.823 -0.349 0.000 1.039 593 V HN -0.064 nan 8.190 nan 0.000 0.430 594 P HA 0.122 nan 4.420 nan 0.000 0.261 594 P C -1.004 176.135 177.300 -0.269 0.000 1.183 594 P CA 0.396 63.293 63.100 -0.338 0.000 0.761 594 P CB 0.314 31.738 31.700 -0.459 0.000 0.785 595 V N 4.828 124.650 119.914 -0.153 0.000 2.540 595 V HA 0.507 4.627 4.120 0.000 0.000 0.302 595 V C 0.007 176.095 176.094 -0.010 0.000 1.035 595 V CA -0.389 61.854 62.300 -0.095 0.000 0.873 595 V CB 1.915 33.666 31.823 -0.120 0.000 0.992 595 V HN 0.424 nan 8.190 nan 0.000 0.428 596 K N 3.302 123.737 120.400 0.058 0.000 2.615 596 K HA 0.378 4.698 4.320 0.000 0.000 0.249 596 K C -0.561 176.092 176.600 0.089 0.000 0.977 596 K CA -0.523 55.803 56.287 0.065 0.000 0.833 596 K CB 1.783 34.275 32.500 -0.014 0.000 1.208 596 K HN 0.772 nan 8.250 nan 0.000 0.443 597 E N 5.189 125.430 120.200 0.068 0.000 2.328 597 E HA 0.015 4.365 4.350 0.000 0.000 0.265 597 E C 0.735 177.155 176.600 -0.299 0.000 1.057 597 E CA 0.043 56.208 56.400 -0.393 0.000 0.916 597 E CB 0.385 29.864 29.700 -0.369 0.000 0.993 597 E HN 0.648 nan 8.360 nan 0.000 0.446 598 I N 1.113 121.473 120.570 -0.351 0.000 4.057 598 I HA 0.475 4.645 4.170 0.000 0.000 0.334 598 I C 0.687 176.669 176.117 -0.225 0.000 1.308 598 I CA -0.097 61.067 61.300 -0.227 0.000 1.125 598 I CB 0.637 38.532 38.000 -0.174 0.000 1.034 598 I HN 0.539 nan 8.210 nan 0.000 0.401 599 G N 0.707 109.324 108.800 -0.306 0.000 2.404 599 G HA2 0.335 4.295 3.960 0.000 0.000 0.253 599 G HA3 0.335 4.295 3.960 0.000 0.000 0.253 599 G C -1.195 173.536 174.900 -0.280 0.000 1.253 599 G CA 0.243 45.203 45.100 -0.233 0.000 0.917 599 G HN 0.200 nan 8.290 nan 0.000 0.480 600 T N -1.214 113.222 114.554 -0.197 0.000 2.868 600 T HA 0.597 4.947 4.350 0.000 0.000 0.306 600 T C -2.109 172.519 174.700 -0.120 0.000 1.224 600 T CA -0.310 61.686 62.100 -0.173 0.000 1.012 600 T CB 1.655 70.442 68.868 -0.135 0.000 1.221 600 T HN 1.374 nan 8.240 nan 0.000 0.499 601 L N 4.171 125.334 121.223 -0.101 0.000 2.319 601 L HA 0.848 5.188 4.340 0.000 0.000 0.281 601 L C -0.385 176.410 176.870 -0.125 0.000 1.005 601 L CA 0.269 55.019 54.840 -0.150 0.000 0.828 601 L CB 1.160 43.112 42.059 -0.177 0.000 1.227 601 L HN 0.922 nan 8.230 nan 0.000 0.415 602 S N 3.719 119.353 115.700 -0.109 0.000 2.752 602 S HA 0.907 5.377 4.470 0.000 0.000 0.284 602 S C -0.893 173.681 174.600 -0.043 0.000 1.189 602 S CA -0.979 57.181 58.200 -0.068 0.000 0.835 602 S CB 1.903 65.072 63.200 -0.051 0.000 1.192 602 S HN 0.691 nan 8.310 nan 0.000 0.506 603 R N 0.000 120.486 120.500 -0.023 0.000 2.786 603 R HA 0.000 4.340 4.340 0.000 0.000 0.208 603 R CA 0.000 56.096 56.100 -0.006 0.000 0.921 603 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 603 R HN 0.000 nan 8.270 nan 0.000 0.535