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 3a3d_1_B DATA FIRST_RESID 27 DATA SEQUENCE MINVSDLTQK LPEGSNAGVI AKNINQNQII ADYNGSTFML PASTQKVFTA DATA SEQUENCE VAAKLALGDQ FQFETALLSN GKIQNGNLDG NLIVSFTGDP DLTRGQLYSL DATA SEQUENCE LAELKKQGIK KINGDLVLDT SVFSSHDRGL GWIWNDLTMc FNSPPAAANI DATA SEQUENCE DNNcFYAELD ANKNPGEIVK INVPAQFPIQ VFGQVYVADS NEAPYcQLDV DATA SEQUENCE VVHDNNRYQV KGcLARQYKP FGLSFAVQNT DAYAAAIIQR QLRKLGIEFN DATA SEQUENCE GKVLLPQKPQ QGQLLAKHLS KPLPDLLKKM MKKSDNQIAD SLFRAVAFNY DATA SEQUENCE YKRPASFQLG TLAVKSILQK QGIRFGNSIL ADGSGLSRHN LVAPKTMLSV DATA SEQUENCE LEYIAKNEDK LHLMETFPIA GVDGTISGRG GLISPPLVKN VIAKTGSLKG DATA SEQUENCE VYNLAGFMTN ARGEKVAFVQ FINGYSTGDL ESKTKRAPLV QFERNLYNEL DATA SEQUENCE YKY 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 27 M HA 0.000 nan 4.480 nan 0.000 0.227 27 M C 0.000 176.276 176.300 -0.039 0.000 1.140 27 M CA 0.000 55.274 55.300 -0.044 0.000 0.988 27 M CB 0.000 32.561 32.600 -0.065 0.000 1.302 28 I N 2.112 122.535 120.570 -0.246 0.000 2.710 28 I HA -0.041 4.129 4.170 0.000 0.000 0.286 28 I C 0.686 176.756 176.117 -0.079 0.000 1.181 28 I CA 0.143 61.361 61.300 -0.136 0.000 1.430 28 I CB 0.118 37.976 38.000 -0.236 0.000 1.367 28 I HN 0.449 nan 8.210 nan 0.000 0.577 29 N N 6.391 125.063 118.700 -0.047 0.000 2.549 29 N HA 0.046 4.786 4.740 0.000 0.000 0.267 29 N C 0.609 176.054 175.510 -0.107 0.000 1.182 29 N CA 0.111 53.133 53.050 -0.046 0.000 1.019 29 N CB 0.869 39.344 38.487 -0.020 0.000 1.380 29 N HN 0.433 nan 8.380 nan 0.000 0.505 30 V N 2.002 121.825 119.914 -0.152 0.000 2.719 30 V HA -0.123 3.997 4.120 0.000 0.000 0.252 30 V C 2.314 178.160 176.094 -0.413 0.000 1.065 30 V CA 1.211 63.343 62.300 -0.280 0.000 1.086 30 V CB -0.431 31.192 31.823 -0.334 0.000 0.700 30 V HN 0.627 nan 8.190 nan 0.000 0.467 31 S N 0.386 115.868 115.700 -0.364 0.000 2.365 31 S HA -0.281 4.189 4.470 0.000 0.000 0.225 31 S C 1.791 176.327 174.600 -0.107 0.000 1.039 31 S CA 2.214 60.276 58.200 -0.229 0.000 1.033 31 S CB -0.416 62.837 63.200 0.088 0.000 0.887 31 S HN 0.637 nan 8.310 nan 0.000 0.447 32 D N 1.242 121.603 120.400 -0.065 0.000 2.116 32 D HA -0.089 4.551 4.640 0.000 0.000 0.193 32 D C 1.973 178.255 176.300 -0.030 0.000 0.998 32 D CA 1.203 55.181 54.000 -0.036 0.000 0.836 32 D CB -0.570 40.210 40.800 -0.034 0.000 0.951 32 D HN 0.413 nan 8.370 nan 0.000 0.449 33 L N 0.588 121.780 121.223 -0.050 0.000 2.079 33 L HA -0.168 4.172 4.340 0.000 0.000 0.210 33 L C 2.509 179.505 176.870 0.209 0.000 1.081 33 L CA 1.647 56.498 54.840 0.019 0.000 0.752 33 L CB -0.909 41.074 42.059 -0.128 0.000 0.896 33 L HN 0.179 nan 8.230 nan 0.000 0.433 34 T N -4.144 110.471 114.554 0.102 0.000 3.072 34 T HA -0.101 4.249 4.350 0.000 0.000 0.266 34 T C 1.673 176.374 174.700 0.001 0.000 1.127 34 T CA 0.233 62.346 62.100 0.021 0.000 1.107 34 T CB -0.136 68.668 68.868 -0.105 0.000 0.910 34 T HN 0.235 nan 8.240 nan 0.000 0.513 35 Q N 1.795 121.604 119.800 0.014 0.000 2.443 35 Q HA -0.076 4.264 4.340 0.000 0.000 0.213 35 Q C 1.989 177.995 176.000 0.011 0.000 0.982 35 Q CA 1.062 56.870 55.803 0.008 0.000 0.894 35 Q CB -0.393 28.349 28.738 0.007 0.000 0.947 35 Q HN 0.775 nan 8.270 nan 0.000 0.480 36 K N -0.246 120.181 120.400 0.044 0.000 2.372 36 K HA 0.145 4.465 4.320 0.000 0.000 0.200 36 K C 0.356 176.963 176.600 0.012 0.000 1.022 36 K CA -0.113 56.196 56.287 0.037 0.000 1.125 36 K CB 0.195 32.734 32.500 0.066 0.000 0.855 36 K HN 0.135 nan 8.250 nan 0.000 0.524 37 L N 2.396 123.599 121.223 -0.035 0.000 2.439 37 L HA 0.317 4.658 4.340 0.000 0.000 0.259 37 L C -2.049 174.726 176.870 -0.159 0.000 1.129 37 L CA -2.363 52.410 54.840 -0.112 0.000 0.803 37 L CB 0.554 42.491 42.059 -0.204 0.000 1.161 37 L HN -0.045 nan 8.230 nan 0.000 0.462 38 P HA -0.013 nan 4.420 nan 0.000 0.266 38 P C -0.680 176.504 177.300 -0.195 0.000 1.195 38 P CA -0.178 62.742 63.100 -0.300 0.000 0.768 38 P CB 0.363 31.733 31.700 -0.550 0.000 0.838 39 E N 1.305 121.424 120.200 -0.135 0.000 2.502 39 E HA 0.099 4.449 4.350 0.000 0.000 0.261 39 E C 1.212 177.761 176.600 -0.085 0.000 0.974 39 E CA 1.239 57.587 56.400 -0.085 0.000 0.936 39 E CB -0.331 29.330 29.700 -0.064 0.000 0.926 39 E HN 0.772 nan 8.360 nan 0.000 0.459 40 G N 2.868 111.636 108.800 -0.052 0.000 2.241 40 G HA2 -0.321 3.640 3.960 0.000 0.000 0.244 40 G HA3 -0.321 3.640 3.960 0.000 0.000 0.244 40 G C 0.263 175.148 174.900 -0.025 0.000 0.998 40 G CA 0.314 45.393 45.100 -0.035 0.000 0.621 40 G HN 0.797 nan 8.290 nan 0.000 0.519 41 S N -0.125 115.547 115.700 -0.047 0.000 2.614 41 S HA 0.644 5.114 4.470 0.000 0.000 0.265 41 S C -0.215 174.399 174.600 0.023 0.000 1.303 41 S CA 0.156 58.352 58.200 -0.008 0.000 1.000 41 S CB 2.047 65.228 63.200 -0.032 0.000 0.935 41 S HN 0.662 nan 8.310 nan 0.000 0.551 42 N N -0.556 118.178 118.700 0.057 0.000 2.258 42 N HA 0.671 5.411 4.740 0.000 0.000 0.299 42 N C -1.351 174.228 175.510 0.115 0.000 1.047 42 N CA -0.372 52.729 53.050 0.086 0.000 0.814 42 N CB 2.002 40.537 38.487 0.080 0.000 1.413 42 N HN 0.992 nan 8.380 nan 0.000 0.478 43 A N 1.079 124.006 122.820 0.178 0.000 2.374 43 A HA 0.858 5.178 4.320 0.000 0.000 0.317 43 A C -0.259 177.519 177.584 0.323 0.000 1.094 43 A CA -0.539 51.623 52.037 0.208 0.000 0.765 43 A CB 1.195 20.248 19.000 0.089 0.000 1.268 43 A HN 0.630 nan 8.150 nan 0.000 0.438 44 G N -0.040 108.938 108.800 0.296 0.000 2.609 44 G HA2 0.582 4.542 3.960 0.000 0.000 0.308 44 G HA3 0.582 4.542 3.960 0.000 0.000 0.308 44 G C -1.485 173.529 174.900 0.190 0.000 1.369 44 G CA -0.397 44.853 45.100 0.251 0.000 0.958 44 G HN 0.946 nan 8.290 nan 0.000 0.499 45 V N 3.442 123.478 119.914 0.203 0.000 2.686 45 V HA 0.644 4.765 4.120 0.000 0.000 0.306 45 V C -0.569 175.563 176.094 0.064 0.000 1.065 45 V CA -0.710 61.661 62.300 0.118 0.000 0.894 45 V CB 1.783 33.689 31.823 0.139 0.000 1.004 45 V HN 0.801 nan 8.190 nan 0.000 0.424 46 I N 3.140 123.715 120.570 0.009 0.000 2.827 46 I HA 0.902 5.073 4.170 0.000 0.000 0.298 46 I C -0.937 175.186 176.117 0.010 0.000 1.235 46 I CA -0.479 60.820 61.300 -0.002 0.000 1.021 46 I CB 2.204 40.191 38.000 -0.022 0.000 1.259 46 I HN 0.793 nan 8.210 nan 0.000 0.427 47 A N 6.477 129.297 122.820 -0.000 0.000 2.520 47 A HA 0.666 4.986 4.320 0.000 0.000 0.298 47 A C -1.691 175.893 177.584 0.001 0.000 1.051 47 A CA -0.684 51.374 52.037 0.034 0.000 0.690 47 A CB 1.931 20.963 19.000 0.053 0.000 1.281 47 A HN 0.636 nan 8.150 nan 0.000 0.402 48 K N 1.780 122.193 120.400 0.022 0.000 2.397 48 K HA 0.317 4.637 4.320 0.000 0.000 0.253 48 K C -1.125 175.503 176.600 0.045 0.000 0.932 48 K CA -0.675 55.624 56.287 0.020 0.000 0.795 48 K CB 1.284 33.796 32.500 0.019 0.000 1.159 48 K HN 0.739 nan 8.250 nan 0.000 0.424 49 N N 5.548 124.274 118.700 0.043 0.000 2.401 49 N HA 0.076 4.816 4.740 0.000 0.000 0.255 49 N C 0.849 176.389 175.510 0.049 0.000 1.110 49 N CA 0.077 53.162 53.050 0.057 0.000 0.949 49 N CB 0.482 39.007 38.487 0.063 0.000 1.110 49 N HN 0.696 nan 8.380 nan 0.000 0.490 50 I N 2.981 123.584 120.570 0.055 0.000 2.252 50 I HA -0.244 3.926 4.170 0.000 0.000 0.245 50 I C 1.922 178.055 176.117 0.026 0.000 1.102 50 I CA 0.701 62.027 61.300 0.044 0.000 1.385 50 I CB -0.141 37.890 38.000 0.051 0.000 1.064 50 I HN 0.589 nan 8.210 nan 0.000 0.414 51 N N 0.530 119.243 118.700 0.022 0.000 2.120 51 N HA -0.187 4.554 4.740 0.000 0.000 0.188 51 N C 1.569 177.087 175.510 0.013 0.000 1.024 51 N CA 1.069 54.126 53.050 0.011 0.000 0.852 51 N CB -0.073 38.418 38.487 0.007 0.000 1.003 51 N HN 0.446 nan 8.380 nan 0.000 0.424 52 Q N 0.770 120.582 119.800 0.021 0.000 2.425 52 Q HA 0.003 4.343 4.340 0.000 0.000 0.204 52 Q C -0.047 175.968 176.000 0.024 0.000 0.933 52 Q CA -0.058 55.759 55.803 0.023 0.000 0.939 52 Q CB -0.367 28.390 28.738 0.032 0.000 1.044 52 Q HN 0.256 nan 8.270 nan 0.000 0.513 53 N N 1.638 120.353 118.700 0.024 0.000 2.705 53 N HA -0.173 4.567 4.740 0.000 0.000 0.255 53 N C -1.237 174.288 175.510 0.026 0.000 1.008 53 N CA 0.445 53.510 53.050 0.024 0.000 0.742 53 N CB -0.407 38.091 38.487 0.019 0.000 0.906 53 N HN 0.055 nan 8.380 nan 0.000 0.541 54 Q N 0.796 120.615 119.800 0.031 0.000 2.337 54 Q HA 0.395 4.736 4.340 0.000 0.000 0.270 54 Q C -0.030 175.983 176.000 0.022 0.000 1.043 54 Q CA -0.667 55.157 55.803 0.033 0.000 0.794 54 Q CB 1.385 30.157 28.738 0.055 0.000 1.281 54 Q HN 0.293 nan 8.270 nan 0.000 0.446 55 I N 4.980 125.555 120.570 0.009 0.000 2.556 55 I HA 0.035 4.206 4.170 0.000 0.000 0.284 55 I C 1.538 177.625 176.117 -0.050 0.000 1.114 55 I CA 0.454 61.745 61.300 -0.015 0.000 1.418 55 I CB 0.332 38.326 38.000 -0.011 0.000 1.394 55 I HN 0.697 nan 8.210 nan 0.000 0.552 56 I N 2.411 122.910 120.570 -0.119 0.000 4.288 56 I HA 0.560 4.731 4.170 0.000 0.000 0.331 56 I C 0.485 176.378 176.117 -0.374 0.000 1.322 56 I CA -0.098 61.011 61.300 -0.318 0.000 1.149 56 I CB 0.741 38.490 38.000 -0.418 0.000 1.112 56 I HN 0.456 nan 8.210 nan 0.000 0.403 57 A N 0.954 123.661 122.820 -0.190 0.000 2.547 57 A HA 0.720 5.040 4.320 0.000 0.000 0.297 57 A C -1.891 175.666 177.584 -0.044 0.000 1.056 57 A CA -0.276 51.682 52.037 -0.132 0.000 0.688 57 A CB 1.564 20.474 19.000 -0.150 0.000 1.282 57 A HN 0.188 nan 8.150 nan 0.000 0.400 58 D N 0.507 120.914 120.400 0.012 0.000 2.362 58 D HA 0.332 4.972 4.640 0.000 0.000 0.232 58 D C -2.124 174.245 176.300 0.115 0.000 1.329 58 D CA 0.199 54.223 54.000 0.040 0.000 0.944 58 D CB 0.466 41.272 40.800 0.011 0.000 1.471 58 D HN 0.481 nan 8.370 nan 0.000 0.533 59 Y N 3.443 123.736 120.300 -0.011 0.000 2.329 59 Y HA 0.326 4.876 4.550 0.000 0.000 0.328 59 Y C 0.085 175.995 175.900 0.017 0.000 0.992 59 Y CA -0.728 57.376 58.100 0.006 0.000 1.151 59 Y CB 0.868 39.340 38.460 0.020 0.000 1.150 59 Y HN 0.197 nan 8.280 nan 0.000 0.450 60 N N 3.106 121.614 118.700 -0.321 0.000 2.716 60 N HA -0.202 4.538 4.740 0.000 0.000 0.250 60 N C 0.943 176.425 175.510 -0.047 0.000 1.033 60 N CA 1.198 54.125 53.050 -0.205 0.000 0.727 60 N CB -0.890 37.463 38.487 -0.223 0.000 0.950 60 N HN 1.006 nan 8.380 nan 0.000 0.541 61 G N -1.494 107.288 108.800 -0.029 0.000 2.744 61 G HA2 -0.002 3.958 3.960 0.000 0.000 0.211 61 G HA3 -0.002 3.958 3.960 0.000 0.000 0.211 61 G C 1.073 175.969 174.900 -0.007 0.000 1.143 61 G CA 0.554 45.652 45.100 -0.003 0.000 0.788 61 G HN 0.360 nan 8.290 nan 0.000 0.534 62 S N -0.013 115.661 115.700 -0.042 0.000 2.539 62 S HA 0.144 4.615 4.470 0.000 0.000 0.221 62 S C 0.724 175.242 174.600 -0.137 0.000 0.987 62 S CA -0.243 57.910 58.200 -0.077 0.000 0.929 62 S CB 0.548 63.684 63.200 -0.106 0.000 0.832 62 S HN 0.212 nan 8.310 nan 0.000 0.492 63 T N 3.535 118.056 114.554 -0.055 0.000 2.794 63 T HA 0.310 4.660 4.350 0.000 0.000 0.296 63 T C -0.191 174.571 174.700 0.103 0.000 0.949 63 T CA -0.136 61.941 62.100 -0.039 0.000 1.101 63 T CB -0.077 68.800 68.868 0.017 0.000 0.905 63 T HN 0.052 nan 8.240 nan 0.000 0.516 64 F N 3.920 123.933 119.950 0.107 0.000 2.578 64 F HA 0.312 4.839 4.527 0.000 0.000 0.376 64 F C 0.759 176.626 175.800 0.111 0.000 1.085 64 F CA -0.319 57.755 58.000 0.124 0.000 1.260 64 F CB -0.282 38.774 39.000 0.092 0.000 1.095 64 F HN 0.347 nan 8.300 nan 0.000 0.573 65 M N 2.962 122.752 119.600 0.317 0.000 2.704 65 M HA 0.433 4.913 4.480 0.000 0.000 0.284 65 M C -1.047 175.209 176.300 -0.073 0.000 1.275 65 M CA -1.013 54.355 55.300 0.114 0.000 0.811 65 M CB 2.258 34.950 32.600 0.153 0.000 1.741 65 M HN 0.187 nan 8.290 nan 0.000 0.458 66 L N 3.124 124.258 121.223 -0.147 0.000 2.361 66 L HA 0.200 4.540 4.340 0.000 0.000 0.278 66 L C -1.553 175.032 176.870 -0.476 0.000 1.113 66 L CA -1.107 53.604 54.840 -0.216 0.000 0.849 66 L CB 0.357 42.324 42.059 -0.153 0.000 1.155 66 L HN 0.423 nan 8.230 nan 0.000 0.452 67 P HA 0.036 nan 4.420 nan 0.000 0.239 67 P C 0.700 177.816 177.300 -0.307 0.000 1.188 67 P CA 0.814 63.552 63.100 -0.603 0.000 0.794 67 P CB 0.606 32.176 31.700 -0.215 0.000 0.937 68 A N 0.605 123.292 122.820 -0.222 0.000 5.813 68 A HA -0.257 4.063 4.320 0.000 0.000 0.291 68 A C 1.740 179.248 177.584 -0.126 0.000 1.970 68 A CA 1.474 53.405 52.037 -0.176 0.000 0.717 68 A CB -2.376 16.504 19.000 -0.201 0.000 1.222 68 A HN 0.164 nan 8.150 nan 0.000 0.377 69 S N 0.167 115.796 115.700 -0.119 0.000 2.547 69 S HA -0.013 4.457 4.470 0.000 0.000 0.235 69 S C 1.909 176.468 174.600 -0.068 0.000 0.980 69 S CA 1.911 60.057 58.200 -0.091 0.000 0.941 69 S CB -0.789 62.353 63.200 -0.096 0.000 0.763 69 S HN 1.646 nan 8.310 nan 0.000 0.532 70 T N -0.270 114.258 114.554 -0.044 0.000 3.007 70 T HA -0.138 4.212 4.350 0.000 0.000 0.270 70 T C 1.612 176.251 174.700 -0.102 0.000 1.107 70 T CA 1.178 63.264 62.100 -0.024 0.000 1.118 70 T CB -0.361 68.578 68.868 0.118 0.000 0.889 70 T HN 0.348 nan 8.240 nan 0.000 0.506 71 Q N 1.529 121.291 119.800 -0.064 0.000 2.197 71 Q HA -0.127 4.213 4.340 0.000 0.000 0.207 71 Q C 2.094 178.089 176.000 -0.008 0.000 0.984 71 Q CA 1.601 57.401 55.803 -0.005 0.000 0.869 71 Q CB -0.409 28.375 28.738 0.077 0.000 0.906 71 Q HN 0.617 nan 8.270 nan 0.000 0.426 72 K N -0.858 119.518 120.400 -0.039 0.000 2.360 72 K HA -0.091 4.229 4.320 0.000 0.000 0.201 72 K C 1.781 178.359 176.600 -0.037 0.000 1.046 72 K CA 1.001 57.279 56.287 -0.015 0.000 0.945 72 K CB 0.077 32.549 32.500 -0.046 0.000 0.750 72 K HN 0.099 nan 8.250 nan 0.000 0.464 73 V N 0.879 120.715 119.914 -0.130 0.000 2.343 73 V HA -0.246 3.874 4.120 0.000 0.000 0.247 73 V C 1.833 177.940 176.094 0.022 0.000 1.051 73 V CA 1.698 63.931 62.300 -0.112 0.000 1.036 73 V CB -0.564 31.148 31.823 -0.186 0.000 0.654 73 V HN 0.155 nan 8.190 nan 0.000 0.451 74 F N 1.008 121.039 119.950 0.134 0.000 2.102 74 F HA -0.171 4.356 4.527 0.000 0.000 0.298 74 F C 2.650 178.527 175.800 0.128 0.000 1.105 74 F CA 1.872 59.966 58.000 0.157 0.000 1.239 74 F CB -1.798 37.321 39.000 0.198 0.000 0.991 74 F HN 0.099 nan 8.300 nan 0.000 0.474 75 T N 0.038 114.778 114.554 0.310 0.000 2.788 75 T HA -0.165 4.185 4.350 0.000 0.000 0.268 75 T C 2.301 177.091 174.700 0.149 0.000 1.044 75 T CA 1.276 63.518 62.100 0.237 0.000 1.139 75 T CB -0.742 68.254 68.868 0.214 0.000 0.867 75 T HN 0.290 nan 8.240 nan 0.000 0.454 76 A N 1.086 123.977 122.820 0.119 0.000 1.877 76 A HA -0.062 4.258 4.320 0.000 0.000 0.216 76 A C 2.605 180.256 177.584 0.112 0.000 1.186 76 A CA 1.505 53.595 52.037 0.089 0.000 0.620 76 A CB -1.041 17.987 19.000 0.045 0.000 0.822 76 A HN 0.360 nan 8.150 nan 0.000 0.443 77 V N -0.268 119.737 119.914 0.151 0.000 2.358 77 V HA -0.191 3.929 4.120 0.000 0.000 0.246 77 V C 3.047 179.199 176.094 0.095 0.000 1.047 77 V CA 1.821 64.219 62.300 0.163 0.000 1.035 77 V CB -1.213 30.735 31.823 0.208 0.000 0.658 77 V HN 0.616 nan 8.190 nan 0.000 0.452 78 A N 0.081 122.944 122.820 0.072 0.000 1.902 78 A HA -0.121 4.199 4.320 0.000 0.000 0.217 78 A C 2.421 179.969 177.584 -0.059 0.000 1.181 78 A CA 2.105 54.130 52.037 -0.021 0.000 0.623 78 A CB -0.753 18.219 19.000 -0.047 0.000 0.818 78 A HN 0.560 nan 8.150 nan 0.000 0.443 79 A N -0.270 122.535 122.820 -0.025 0.000 1.902 79 A HA -0.140 4.180 4.320 0.000 0.000 0.217 79 A C 2.111 179.667 177.584 -0.046 0.000 1.181 79 A CA 1.709 53.702 52.037 -0.074 0.000 0.623 79 A CB -0.385 18.594 19.000 -0.035 0.000 0.818 79 A HN 0.376 nan 8.150 nan 0.000 0.443 80 K N -0.234 120.178 120.400 0.020 0.000 2.063 80 K HA -0.112 4.208 4.320 0.000 0.000 0.208 80 K C 1.903 178.524 176.600 0.035 0.000 1.048 80 K CA 1.420 57.736 56.287 0.049 0.000 0.928 80 K CB -0.598 31.956 32.500 0.090 0.000 0.713 80 K HN 0.562 nan 8.250 nan 0.000 0.442 81 L N -0.185 121.053 121.223 0.024 0.000 2.131 81 L HA -0.077 4.263 4.340 0.000 0.000 0.206 81 L C 2.424 179.286 176.870 -0.014 0.000 1.087 81 L CA 1.099 55.950 54.840 0.019 0.000 0.767 81 L CB -0.311 41.756 42.059 0.013 0.000 0.917 81 L HN 0.092 nan 8.230 nan 0.000 0.441 82 A N -0.986 121.792 122.820 -0.070 0.000 2.063 82 A HA 0.178 4.498 4.320 0.000 0.000 0.211 82 A C 2.039 179.578 177.584 -0.074 0.000 1.177 82 A CA 0.390 52.381 52.037 -0.077 0.000 0.759 82 A CB 0.018 18.903 19.000 -0.192 0.000 0.857 82 A HN 0.294 nan 8.150 nan 0.000 0.468 83 L N -1.614 119.536 121.223 -0.123 0.000 2.362 83 L HA 0.395 4.735 4.340 0.000 0.000 0.204 83 L C 1.310 178.187 176.870 0.011 0.000 1.060 83 L CA 0.533 55.279 54.840 -0.157 0.000 0.827 83 L CB -0.447 41.293 42.059 -0.532 0.000 1.027 83 L HN 0.541 nan 8.230 nan 0.000 0.474 84 G N 0.513 109.324 108.800 0.019 0.000 2.781 84 G HA2 -0.230 3.731 3.960 0.000 0.000 0.683 84 G HA3 -0.230 3.731 3.960 0.000 0.000 0.683 84 G C -0.325 174.640 174.900 0.109 0.000 1.390 84 G CA -0.177 44.965 45.100 0.069 0.000 0.850 84 G HN 0.136 nan 8.290 nan 0.000 0.557 85 D N 0.203 120.665 120.400 0.103 0.000 2.348 85 D HA 0.019 4.659 4.640 0.000 0.000 0.216 85 D C 2.377 178.741 176.300 0.107 0.000 0.970 85 D CA 1.164 55.230 54.000 0.110 0.000 0.889 85 D CB 0.203 41.062 40.800 0.099 0.000 0.912 85 D HN 0.436 nan 8.370 nan 0.000 0.524 86 Q N -0.664 119.197 119.800 0.102 0.000 2.360 86 Q HA 0.134 4.474 4.340 0.000 0.000 0.202 86 Q C 0.093 176.137 176.000 0.073 0.000 0.915 86 Q CA -0.330 55.515 55.803 0.070 0.000 0.943 86 Q CB -0.025 28.741 28.738 0.047 0.000 1.064 86 Q HN 0.217 nan 8.270 nan 0.000 0.511 87 F N 1.751 121.689 119.950 -0.019 0.000 2.572 87 F HA 0.096 4.623 4.527 0.000 0.000 0.370 87 F C -0.040 175.721 175.800 -0.064 0.000 1.103 87 F CA 0.400 58.364 58.000 -0.060 0.000 1.286 87 F CB 0.399 39.346 39.000 -0.089 0.000 1.105 87 F HN -0.060 nan 8.300 nan 0.000 0.583 88 Q N 4.609 123.779 119.800 -1.049 0.000 2.379 88 Q HA 0.357 4.697 4.340 0.000 0.000 0.278 88 Q C -1.483 173.862 176.000 -1.090 0.000 1.068 88 Q CA -0.964 54.381 55.803 -0.763 0.000 0.816 88 Q CB 2.382 30.921 28.738 -0.332 0.000 1.387 88 Q HN 0.576 nan 8.270 nan 0.000 0.413 89 F N 1.333 120.985 119.950 -0.497 0.000 2.399 89 F HA 0.186 4.713 4.527 0.000 0.000 0.342 89 F C 0.584 176.276 175.800 -0.181 0.000 1.106 89 F CA 0.096 57.943 58.000 -0.255 0.000 1.196 89 F CB 0.837 39.841 39.000 0.007 0.000 1.163 89 F HN 0.289 nan 8.300 nan 0.000 0.547 90 E N 1.501 121.727 120.200 0.043 0.000 2.166 90 E HA 0.383 4.734 4.350 0.000 0.000 0.275 90 E C -0.946 175.671 176.600 0.029 0.000 0.941 90 E CA -0.705 55.690 56.400 -0.008 0.000 0.784 90 E CB 1.726 31.398 29.700 -0.047 0.000 1.115 90 E HN 0.449 nan 8.360 nan 0.000 0.399 91 T N 1.643 116.210 114.554 0.022 0.000 2.812 91 T HA 0.625 4.975 4.350 0.000 0.000 0.282 91 T C -0.804 173.828 174.700 -0.112 0.000 0.990 91 T CA -0.598 61.451 62.100 -0.085 0.000 0.960 91 T CB 1.398 70.230 68.868 -0.061 0.000 0.948 91 T HN 0.534 nan 8.240 nan 0.000 0.438 92 A N 3.249 125.959 122.820 -0.184 0.000 2.469 92 A HA 0.906 5.226 4.320 0.000 0.000 0.299 92 A C -1.377 176.113 177.584 -0.157 0.000 1.098 92 A CA -0.824 51.137 52.037 -0.127 0.000 0.737 92 A CB 1.228 20.177 19.000 -0.085 0.000 1.312 92 A HN 0.786 nan 8.150 nan 0.000 0.414 93 L N 1.289 122.444 121.223 -0.113 0.000 2.341 93 L HA 0.682 5.022 4.340 0.000 0.000 0.278 93 L C -1.206 175.623 176.870 -0.069 0.000 1.005 93 L CA -0.505 54.273 54.840 -0.104 0.000 0.818 93 L CB 1.377 43.377 42.059 -0.098 0.000 1.259 93 L HN 0.600 nan 8.230 nan 0.000 0.418 94 L N 1.962 123.150 121.223 -0.058 0.000 2.327 94 L HA 0.764 5.104 4.340 0.000 0.000 0.258 94 L C -0.277 176.577 176.870 -0.025 0.000 1.024 94 L CA -0.287 54.532 54.840 -0.036 0.000 0.825 94 L CB 2.220 44.261 42.059 -0.029 0.000 1.386 94 L HN 0.576 nan 8.230 nan 0.000 0.417 95 S N -0.721 114.970 115.700 -0.014 0.000 2.547 95 S HA 0.447 4.918 4.470 0.000 0.000 0.270 95 S C -0.731 173.870 174.600 0.000 0.000 1.150 95 S CA -0.659 57.539 58.200 -0.004 0.000 0.850 95 S CB 1.250 64.449 63.200 -0.002 0.000 1.118 95 S HN 0.652 nan 8.310 nan 0.000 0.461 96 N N 1.405 120.108 118.700 0.006 0.000 2.268 96 N HA 0.172 4.912 4.740 0.000 0.000 0.204 96 N C 0.563 176.077 175.510 0.008 0.000 1.124 96 N CA 0.112 53.166 53.050 0.007 0.000 0.838 96 N CB 0.639 39.132 38.487 0.009 0.000 0.994 96 N HN 0.610 nan 8.380 nan 0.000 0.489 97 G N 0.908 109.713 108.800 0.009 0.000 2.477 97 G HA2 0.341 4.301 3.960 0.000 0.000 0.304 97 G HA3 0.341 4.301 3.960 0.000 0.000 0.304 97 G C -0.100 174.804 174.900 0.006 0.000 1.175 97 G CA -0.471 44.634 45.100 0.009 0.000 0.907 97 G HN 0.180 nan 8.290 nan 0.000 0.509 98 K N -0.040 120.364 120.400 0.005 0.000 2.143 98 K HA 0.528 4.848 4.320 0.000 0.000 0.272 98 K C -0.242 176.360 176.600 0.003 0.000 1.001 98 K CA -0.669 55.620 56.287 0.003 0.000 0.915 98 K CB 1.580 34.081 32.500 0.002 0.000 1.047 98 K HN 0.300 nan 8.250 nan 0.000 0.458 99 I N 2.434 123.005 120.570 0.001 0.000 2.529 99 I HA 0.090 4.260 4.170 0.000 0.000 0.284 99 I C -0.140 175.978 176.117 0.001 0.000 1.082 99 I CA -0.028 61.272 61.300 0.001 0.000 1.406 99 I CB 0.867 38.866 38.000 -0.002 0.000 1.405 99 I HN 0.694 nan 8.210 nan 0.000 0.548 100 Q N 5.352 125.153 119.800 0.001 0.000 2.418 100 Q HA 0.160 4.501 4.340 0.000 0.000 0.240 100 Q C -0.892 175.109 176.000 0.001 0.000 0.859 100 Q CA -0.600 55.204 55.803 0.001 0.000 0.916 100 Q CB 1.125 29.864 28.738 0.001 0.000 1.448 100 Q HN 0.631 nan 8.270 nan 0.000 0.439 101 N N 1.966 120.666 118.700 0.000 0.000 2.707 101 N HA -0.255 4.485 4.740 0.000 0.000 0.253 101 N C 0.552 176.062 175.510 0.001 0.000 0.998 101 N CA 1.862 54.912 53.050 0.000 0.000 0.751 101 N CB -0.900 37.587 38.487 0.000 0.000 0.920 101 N HN 1.112 nan 8.380 nan 0.000 0.539 102 G N -1.219 107.581 108.800 0.001 0.000 2.184 102 G HA2 -0.350 3.610 3.960 0.000 0.000 0.264 102 G HA3 -0.350 3.610 3.960 0.000 0.000 0.264 102 G C 0.008 174.910 174.900 0.004 0.000 0.975 102 G CA 0.584 45.684 45.100 0.001 0.000 0.642 102 G HN 0.652 nan 8.290 nan 0.000 0.536 103 N N -0.242 118.461 118.700 0.005 0.000 2.443 103 N HA 0.575 5.315 4.740 0.000 0.000 0.295 103 N C -0.510 175.007 175.510 0.011 0.000 1.076 103 N CA -0.824 52.232 53.050 0.010 0.000 0.919 103 N CB 1.916 40.408 38.487 0.008 0.000 1.176 103 N HN 0.179 nan 8.380 nan 0.000 0.487 104 L N 1.921 123.155 121.223 0.018 0.000 2.295 104 L HA 0.205 4.545 4.340 0.000 0.000 0.288 104 L C -0.353 176.531 176.870 0.022 0.000 1.079 104 L CA -0.056 54.795 54.840 0.018 0.000 0.830 104 L CB 0.155 42.227 42.059 0.022 0.000 1.200 104 L HN 0.503 nan 8.230 nan 0.000 0.438 105 D N 4.579 124.988 120.400 0.015 0.000 2.631 105 D HA 0.528 5.168 4.640 0.000 0.000 0.227 105 D C 0.107 176.417 176.300 0.017 0.000 1.146 105 D CA 0.624 54.633 54.000 0.014 0.000 1.009 105 D CB 0.122 40.927 40.800 0.008 0.000 1.057 105 D HN 0.793 nan 8.370 nan 0.000 0.509 106 G N 1.185 110.001 108.800 0.026 0.000 2.335 106 G HA2 0.042 4.002 3.960 0.000 0.000 0.291 106 G HA3 0.042 4.002 3.960 0.000 0.000 0.291 106 G C -0.922 174.008 174.900 0.050 0.000 1.261 106 G CA -0.845 44.273 45.100 0.030 0.000 0.871 106 G HN 0.183 nan 8.290 nan 0.000 0.491 107 N N -0.478 118.252 118.700 0.049 0.000 2.493 107 N HA 0.560 5.301 4.740 0.000 0.000 0.275 107 N C -0.755 174.783 175.510 0.046 0.000 1.186 107 N CA -0.373 52.718 53.050 0.069 0.000 0.978 107 N CB 1.898 40.420 38.487 0.058 0.000 1.184 107 N HN 0.515 nan 8.380 nan 0.000 0.487 108 L N 1.695 122.944 121.223 0.043 0.000 2.272 108 L HA 0.530 4.871 4.340 0.000 0.000 0.289 108 L C -0.846 176.010 176.870 -0.024 0.000 1.032 108 L CA -0.269 54.564 54.840 -0.012 0.000 0.810 108 L CB 0.389 42.412 42.059 -0.059 0.000 1.205 108 L HN 0.420 nan 8.230 nan 0.000 0.422 109 I N 5.774 126.326 120.570 -0.029 0.000 2.331 109 I HA 0.387 4.557 4.170 0.000 0.000 0.292 109 I C -0.646 175.428 176.117 -0.071 0.000 0.998 109 I CA -0.716 60.566 61.300 -0.030 0.000 1.267 109 I CB 1.608 39.598 38.000 -0.018 0.000 1.386 109 I HN 0.269 nan 8.210 nan 0.000 0.476 110 V N 5.046 124.912 119.914 -0.080 0.000 2.378 110 V HA 0.269 4.389 4.120 0.000 0.000 0.288 110 V C 0.078 176.055 176.094 -0.196 0.000 1.016 110 V CA -0.491 61.691 62.300 -0.197 0.000 0.840 110 V CB 1.556 33.247 31.823 -0.220 0.000 0.994 110 V HN 0.774 nan 8.190 nan 0.000 0.431 111 S N 5.497 121.043 115.700 -0.256 0.000 2.422 111 S HA 0.711 5.181 4.470 0.000 0.000 0.298 111 S C -0.977 173.465 174.600 -0.264 0.000 1.118 111 S CA -0.322 57.783 58.200 -0.160 0.000 1.083 111 S CB -0.001 63.134 63.200 -0.108 0.000 0.971 111 S HN 0.392 nan 8.310 nan 0.000 0.478 112 F N 2.515 122.428 119.950 -0.062 0.000 2.469 112 F HA 0.405 4.932 4.527 0.000 0.000 0.332 112 F C 1.446 177.152 175.800 -0.157 0.000 1.103 112 F CA -0.653 57.303 58.000 -0.073 0.000 0.979 112 F CB 2.345 41.309 39.000 -0.060 0.000 1.137 112 F HN 0.645 nan 8.300 nan 0.000 0.463 113 T N -1.678 112.907 114.554 0.053 0.000 3.200 113 T HA 0.433 4.783 4.350 0.000 0.000 0.284 113 T C 0.939 175.551 174.700 -0.147 0.000 1.009 113 T CA 0.109 62.131 62.100 -0.130 0.000 0.907 113 T CB 0.111 68.978 68.868 -0.002 0.000 1.120 113 T HN 1.143 nan 8.240 nan 0.000 0.534 114 G N 1.485 110.185 108.800 -0.168 0.000 2.144 114 G HA2 -0.206 3.754 3.960 0.000 0.000 0.218 114 G HA3 -0.206 3.754 3.960 0.000 0.000 0.218 114 G C -0.243 174.332 174.900 -0.541 0.000 0.988 114 G CA -0.196 44.810 45.100 -0.157 0.000 0.659 114 G HN 0.693 nan 8.290 nan 0.000 0.522 115 D N 1.244 121.355 120.400 -0.481 0.000 2.502 115 D HA 0.175 4.815 4.640 0.000 0.000 0.249 115 D C -0.332 175.747 176.300 -0.368 0.000 1.188 115 D CA -0.692 52.922 54.000 -0.643 0.000 0.890 115 D CB 1.119 41.898 40.800 -0.035 0.000 1.140 115 D HN 0.274 nan 8.370 nan 0.000 0.505 116 P HA 0.080 nan 4.420 nan 0.000 0.255 116 P C -0.021 177.267 177.300 -0.019 0.000 1.248 116 P CA 0.204 63.224 63.100 -0.133 0.000 0.807 116 P CB 0.590 32.236 31.700 -0.091 0.000 1.150 117 D N -0.599 119.804 120.400 0.004 0.000 2.673 117 D HA 0.121 4.762 4.640 0.000 0.000 0.278 117 D C -0.446 175.912 176.300 0.097 0.000 1.393 117 D CA -0.446 53.596 54.000 0.069 0.000 0.805 117 D CB -0.222 40.637 40.800 0.099 0.000 1.110 117 D HN -0.062 nan 8.370 nan 0.000 0.476 118 L N 1.901 123.177 121.223 0.088 0.000 2.319 118 L HA 0.442 4.782 4.340 0.000 0.000 0.280 118 L C 0.326 177.246 176.870 0.083 0.000 1.099 118 L CA 0.066 54.962 54.840 0.095 0.000 0.828 118 L CB 0.787 42.918 42.059 0.120 0.000 1.150 118 L HN 0.105 nan 8.230 nan 0.000 0.442 119 T N 1.201 115.786 114.554 0.052 0.000 2.927 119 T HA 0.347 4.698 4.350 0.000 0.000 0.281 119 T C 1.074 175.809 174.700 0.059 0.000 0.998 119 T CA -0.522 61.619 62.100 0.068 0.000 1.019 119 T CB 1.146 70.047 68.868 0.056 0.000 1.061 119 T HN 0.737 nan 8.240 nan 0.000 0.518 120 R N 0.648 121.199 120.500 0.085 0.000 2.096 120 R HA -0.020 4.320 4.340 0.000 0.000 0.235 120 R C 2.494 178.832 176.300 0.064 0.000 1.127 120 R CA 1.738 57.886 56.100 0.080 0.000 0.968 120 R CB -1.110 29.237 30.300 0.077 0.000 0.861 120 R HN 0.906 nan 8.270 nan 0.000 0.440 121 G N 0.114 108.937 108.800 0.038 0.000 2.418 121 G HA2 -0.288 3.672 3.960 0.000 0.000 0.217 121 G HA3 -0.288 3.672 3.960 0.000 0.000 0.217 121 G C 1.187 176.115 174.900 0.047 0.000 1.158 121 G CA 0.559 45.681 45.100 0.036 0.000 0.771 121 G HN 0.408 nan 8.290 nan 0.000 0.545 122 Q N -0.706 119.075 119.800 -0.032 0.000 2.124 122 Q HA -0.024 4.316 4.340 0.000 0.000 0.202 122 Q C 2.464 178.353 176.000 -0.184 0.000 0.977 122 Q CA 0.942 56.639 55.803 -0.178 0.000 0.850 122 Q CB -0.240 28.255 28.738 -0.404 0.000 0.901 122 Q HN 0.416 nan 8.270 nan 0.000 0.429 123 L N -0.279 120.897 121.223 -0.079 0.000 2.093 123 L HA -0.182 4.158 4.340 0.000 0.000 0.208 123 L C 2.081 178.948 176.870 -0.005 0.000 1.085 123 L CA 1.696 56.511 54.840 -0.042 0.000 0.755 123 L CB -0.627 41.459 42.059 0.044 0.000 0.904 123 L HN 0.196 nan 8.230 nan 0.000 0.435 124 Y N -0.472 119.791 120.300 -0.061 0.000 2.145 124 Y HA -0.236 4.314 4.550 0.000 0.000 0.286 124 Y C 2.622 178.494 175.900 -0.047 0.000 1.145 124 Y CA 2.002 60.074 58.100 -0.047 0.000 1.148 124 Y CB -0.327 38.111 38.460 -0.037 0.000 0.981 124 Y HN 0.209 nan 8.280 nan 0.000 0.507 125 S N 0.493 116.271 115.700 0.129 0.000 2.382 125 S HA -0.196 4.274 4.470 0.000 0.000 0.228 125 S C 1.869 176.442 174.600 -0.045 0.000 1.027 125 S CA 1.317 59.547 58.200 0.050 0.000 0.991 125 S CB -0.731 62.514 63.200 0.076 0.000 0.823 125 S HN 0.474 nan 8.310 nan 0.000 0.469 126 L N 1.952 123.136 121.223 -0.065 0.000 1.989 126 L HA -0.057 4.283 4.340 0.000 0.000 0.211 126 L C 1.957 178.756 176.870 -0.119 0.000 1.071 126 L CA 1.740 56.535 54.840 -0.074 0.000 0.749 126 L CB -0.676 41.335 42.059 -0.081 0.000 0.890 126 L HN 0.282 nan 8.230 nan 0.000 0.431 127 L N -0.597 120.519 121.223 -0.177 0.000 2.191 127 L HA -0.152 4.188 4.340 0.000 0.000 0.212 127 L C 2.556 179.283 176.870 -0.239 0.000 1.103 127 L CA 0.975 55.688 54.840 -0.213 0.000 0.769 127 L CB -0.813 41.094 42.059 -0.253 0.000 0.908 127 L HN 0.409 nan 8.230 nan 0.000 0.438 128 A N -0.604 122.043 122.820 -0.288 0.000 2.121 128 A HA -0.139 4.181 4.320 0.000 0.000 0.218 128 A C 2.113 179.626 177.584 -0.118 0.000 1.154 128 A CA 0.962 52.859 52.037 -0.233 0.000 0.679 128 A CB -0.231 18.643 19.000 -0.210 0.000 0.795 128 A HN 0.329 nan 8.150 nan 0.000 0.458 129 E N 0.362 120.506 120.200 -0.094 0.000 2.153 129 E HA -0.167 4.183 4.350 0.000 0.000 0.194 129 E C 1.891 178.456 176.600 -0.058 0.000 0.988 129 E CA 0.914 57.279 56.400 -0.059 0.000 0.811 129 E CB -0.404 29.270 29.700 -0.045 0.000 0.746 129 E HN 0.725 nan 8.360 nan 0.000 0.466 130 L N 0.620 121.797 121.223 -0.075 0.000 2.083 130 L HA -0.148 4.192 4.340 0.000 0.000 0.209 130 L C 2.665 179.505 176.870 -0.050 0.000 1.083 130 L CA 1.182 55.985 54.840 -0.061 0.000 0.752 130 L CB -0.402 41.613 42.059 -0.073 0.000 0.899 130 L HN 0.060 nan 8.230 nan 0.000 0.433 131 K N 0.681 121.043 120.400 -0.063 0.000 2.103 131 K HA -0.139 4.181 4.320 0.000 0.000 0.204 131 K C 2.095 178.676 176.600 -0.031 0.000 1.052 131 K CA 1.011 57.270 56.287 -0.046 0.000 0.945 131 K CB 0.152 32.617 32.500 -0.058 0.000 0.722 131 K HN 0.170 nan 8.250 nan 0.000 0.443 132 K N 0.442 120.823 120.400 -0.032 0.000 2.148 132 K HA -0.131 4.189 4.320 0.000 0.000 0.204 132 K C 1.658 178.249 176.600 -0.016 0.000 1.050 132 K CA 1.239 57.514 56.287 -0.019 0.000 0.942 132 K CB 0.072 32.561 32.500 -0.017 0.000 0.724 132 K HN 0.282 nan 8.250 nan 0.000 0.446 133 Q N -0.382 119.406 119.800 -0.020 0.000 2.373 133 Q HA 0.040 4.380 4.340 0.000 0.000 0.206 133 Q C 0.629 176.621 176.000 -0.013 0.000 0.942 133 Q CA 0.333 56.127 55.803 -0.016 0.000 0.953 133 Q CB 0.492 29.218 28.738 -0.019 0.000 1.022 133 Q HN 0.508 nan 8.270 nan 0.000 0.502 134 G N 1.196 109.988 108.800 -0.013 0.000 2.168 134 G HA2 -0.296 3.665 3.960 0.000 0.000 0.263 134 G HA3 -0.296 3.665 3.960 0.000 0.000 0.263 134 G C 0.153 175.048 174.900 -0.008 0.000 0.977 134 G CA -0.071 45.023 45.100 -0.009 0.000 0.659 134 G HN 0.388 nan 8.290 nan 0.000 0.533 135 I N 0.482 121.045 120.570 -0.012 0.000 2.436 135 I HA 0.225 4.395 4.170 0.000 0.000 0.289 135 I C 1.395 177.509 176.117 -0.006 0.000 1.083 135 I CA 0.068 61.363 61.300 -0.007 0.000 1.372 135 I CB 1.056 39.049 38.000 -0.010 0.000 1.408 135 I HN 0.038 nan 8.210 nan 0.000 0.516 136 K N 5.249 125.651 120.400 0.003 0.000 2.367 136 K HA 0.194 4.514 4.320 0.000 0.000 0.195 136 K C 0.314 176.925 176.600 0.017 0.000 1.060 136 K CA 0.073 56.364 56.287 0.006 0.000 1.022 136 K CB 0.702 33.205 32.500 0.005 0.000 0.894 136 K HN 0.469 nan 8.250 nan 0.000 0.540 137 K N 1.187 121.601 120.400 0.023 0.000 2.542 137 K HA 0.334 4.654 4.320 0.000 0.000 0.259 137 K C -1.759 174.873 176.600 0.053 0.000 0.932 137 K CA -0.514 55.797 56.287 0.039 0.000 0.820 137 K CB 1.637 34.151 32.500 0.024 0.000 1.345 137 K HN -0.117 nan 8.250 nan 0.000 0.432 138 I N 3.957 124.587 120.570 0.101 0.000 2.339 138 I HA 0.212 4.383 4.170 0.000 0.000 0.290 138 I C 0.615 176.794 176.117 0.104 0.000 0.994 138 I CA -0.580 60.799 61.300 0.131 0.000 1.191 138 I CB 1.651 39.803 38.000 0.253 0.000 1.343 138 I HN 0.736 nan 8.210 nan 0.000 0.458 139 N N 3.069 121.805 118.700 0.060 0.000 2.424 139 N HA 0.047 4.787 4.740 0.000 0.000 0.178 139 N C 0.965 176.479 175.510 0.007 0.000 1.060 139 N CA 0.081 53.141 53.050 0.015 0.000 0.901 139 N CB 0.408 38.899 38.487 0.007 0.000 0.979 139 N HN 0.770 nan 8.380 nan 0.000 0.451 140 G N -0.134 108.705 108.800 0.065 0.000 3.099 140 G HA2 0.206 4.167 3.960 0.000 0.000 0.151 140 G HA3 0.206 4.167 3.960 0.000 0.000 0.151 140 G C -0.733 174.254 174.900 0.144 0.000 1.265 140 G CA -0.305 44.834 45.100 0.065 0.000 0.981 140 G HN -0.086 nan 8.290 nan 0.000 0.601 141 D N -0.718 119.790 120.400 0.180 0.000 2.437 141 D HA 0.447 5.088 4.640 0.000 0.000 0.259 141 D C -0.704 175.796 176.300 0.333 0.000 1.118 141 D CA -0.296 53.873 54.000 0.282 0.000 1.017 141 D CB 2.216 43.107 40.800 0.151 0.000 1.120 141 D HN 0.151 nan 8.370 nan 0.000 0.541 142 L N 1.078 122.485 121.223 0.306 0.000 2.265 142 L HA 0.362 4.702 4.340 0.000 0.000 0.289 142 L C -1.237 175.666 176.870 0.056 0.000 1.033 142 L CA -0.475 54.380 54.840 0.026 0.000 0.814 142 L CB 1.170 43.110 42.059 -0.198 0.000 1.203 142 L HN 0.040 nan 8.230 nan 0.000 0.423 143 V N 6.525 126.460 119.914 0.035 0.000 2.448 143 V HA 0.456 4.576 4.120 0.000 0.000 0.295 143 V C -0.003 176.121 176.094 0.051 0.000 1.025 143 V CA -0.643 61.685 62.300 0.048 0.000 0.859 143 V CB 1.611 33.459 31.823 0.042 0.000 0.988 143 V HN 0.604 nan 8.190 nan 0.000 0.431 144 L N 3.853 125.123 121.223 0.079 0.000 2.295 144 L HA 0.579 4.920 4.340 0.000 0.000 0.285 144 L C -0.436 176.497 176.870 0.106 0.000 1.035 144 L CA -0.395 54.524 54.840 0.131 0.000 0.806 144 L CB 1.627 43.795 42.059 0.182 0.000 1.214 144 L HN 0.577 nan 8.230 nan 0.000 0.426 145 D N 1.738 122.200 120.400 0.104 0.000 2.349 145 D HA 0.228 4.868 4.640 0.000 0.000 0.232 145 D C 0.386 176.737 176.300 0.086 0.000 1.071 145 D CA -0.276 53.764 54.000 0.067 0.000 0.832 145 D CB 1.635 42.452 40.800 0.028 0.000 1.086 145 D HN 0.616 nan 8.370 nan 0.000 0.504 146 T N -0.519 114.070 114.554 0.058 0.000 3.252 146 T HA 0.069 4.420 4.350 0.000 0.000 0.286 146 T C 1.315 176.003 174.700 -0.021 0.000 1.013 146 T CA 0.027 62.140 62.100 0.022 0.000 0.914 146 T CB -0.323 68.570 68.868 0.042 0.000 1.131 146 T HN 0.200 nan 8.240 nan 0.000 0.529 147 S N 1.348 117.037 115.700 -0.018 0.000 2.515 147 S HA -0.076 4.394 4.470 0.000 0.000 0.231 147 S C 2.007 176.589 174.600 -0.029 0.000 0.987 147 S CA 0.614 58.820 58.200 0.010 0.000 0.936 147 S CB -0.896 62.328 63.200 0.039 0.000 0.766 147 S HN 0.663 nan 8.310 nan 0.000 0.528 148 V N -2.757 117.020 119.914 -0.229 0.000 2.809 148 V HA 0.270 4.390 4.120 0.000 0.000 0.256 148 V C 0.427 176.521 176.094 0.000 0.000 1.080 148 V CA 0.293 62.281 62.300 -0.520 0.000 1.102 148 V CB -1.145 30.007 31.823 -1.119 0.000 0.705 148 V HN 0.328 nan 8.190 nan 0.000 0.475 149 F N 0.624 120.535 119.950 -0.064 0.000 2.458 149 F HA 0.818 5.345 4.527 0.000 0.000 0.330 149 F C 0.329 176.150 175.800 0.035 0.000 1.082 149 F CA -1.508 56.499 58.000 0.012 0.000 0.995 149 F CB 1.514 40.530 39.000 0.027 0.000 1.170 149 F HN 0.025 nan 8.300 nan 0.000 0.478 150 S N 0.853 116.694 115.700 0.236 0.000 2.599 150 S HA 0.708 5.178 4.470 0.000 0.000 0.294 150 S C -0.210 174.439 174.600 0.081 0.000 1.094 150 S CA 0.295 58.575 58.200 0.132 0.000 0.931 150 S CB 1.449 64.716 63.200 0.112 0.000 1.093 150 S HN 0.966 nan 8.310 nan 0.000 0.488 151 S N 0.903 116.607 115.700 0.006 0.000 3.387 151 S HA -0.186 4.284 4.470 0.000 0.000 0.633 151 S C -0.570 173.988 174.600 -0.069 0.000 2.641 151 S CA 0.209 58.346 58.200 -0.104 0.000 2.931 151 S CB -1.701 61.461 63.200 -0.063 0.000 0.327 151 S HN 0.886 nan 8.310 nan 0.000 1.716 152 H N 1.260 120.352 119.070 0.037 0.000 2.679 152 H HA 0.204 4.760 4.556 0.000 0.000 0.369 152 H C 0.449 175.812 175.328 0.059 0.000 1.178 152 H CA 0.229 56.277 56.048 -0.001 0.000 1.419 152 H CB 0.201 29.895 29.762 -0.112 0.000 1.458 152 H HN 0.533 nan 8.280 nan 0.000 0.605 153 D N 1.420 121.930 120.400 0.185 0.000 2.358 153 D HA 0.102 4.743 4.640 0.000 0.000 0.224 153 D C 0.246 176.576 176.300 0.051 0.000 1.123 153 D CA 0.253 54.380 54.000 0.213 0.000 0.833 153 D CB 0.597 41.512 40.800 0.191 0.000 0.946 153 D HN 0.288 nan 8.370 nan 0.000 0.505 154 R N -0.391 119.872 120.500 -0.395 0.000 2.686 154 R HA 0.554 4.895 4.340 0.000 0.000 0.286 154 R C 0.391 175.505 176.300 -1.977 0.000 0.969 154 R CA -0.776 54.565 56.100 -1.265 0.000 0.898 154 R CB 2.173 32.054 30.300 -0.698 0.000 1.183 154 R HN -0.081 nan 8.270 nan 0.000 0.456 155 G N 2.259 109.071 108.800 -3.313 0.000 2.569 155 G HA2 0.250 4.210 3.960 0.000 0.000 0.249 155 G HA3 0.250 4.210 3.960 0.000 0.000 0.249 155 G C 0.079 174.158 174.900 -1.367 0.000 1.216 155 G CA -0.639 43.018 45.100 -2.405 0.000 0.845 155 G HN 0.329 nan 8.290 nan 0.000 0.568 156 L N 0.809 121.646 121.223 -0.644 0.000 2.439 156 L HA 0.371 4.711 4.340 0.000 0.000 0.269 156 L C 1.621 178.400 176.870 -0.152 0.000 1.179 156 L CA 0.905 55.578 54.840 -0.277 0.000 0.828 156 L CB 0.919 42.948 42.059 -0.049 0.000 1.106 156 L HN 0.987 nan 8.230 nan 0.000 0.467 157 G N 0.924 109.623 108.800 -0.168 0.000 2.179 157 G HA2 -0.229 3.731 3.960 0.000 0.000 0.260 157 G HA3 -0.229 3.731 3.960 0.000 0.000 0.260 157 G C -0.270 174.603 174.900 -0.045 0.000 0.977 157 G CA -0.476 44.394 45.100 -0.383 0.000 0.641 157 G HN 0.483 nan 8.290 nan 0.000 0.533 158 W N 0.509 121.667 121.300 -0.237 0.000 2.170 158 W HA 0.660 5.321 4.660 0.000 0.000 0.336 158 W C 1.018 177.454 176.519 -0.137 0.000 1.283 158 W CA -1.411 55.823 57.345 -0.184 0.000 1.224 158 W CB 0.101 29.448 29.460 -0.188 0.000 1.132 158 W HN 0.092 nan 8.180 nan 0.000 0.571 159 I N 5.199 125.807 120.570 0.062 0.000 2.474 159 I HA -0.060 4.110 4.170 0.000 0.000 0.287 159 I C 1.600 177.709 176.117 -0.012 0.000 1.048 159 I CA -0.477 60.822 61.300 -0.002 0.000 1.383 159 I CB 0.795 38.735 38.000 -0.100 0.000 1.412 159 I HN 0.665 nan 8.210 nan 0.000 0.531 160 W N 7.150 128.441 121.300 -0.015 0.000 2.363 160 W HA -0.173 4.487 4.660 0.000 0.000 0.296 160 W C 1.411 177.917 176.519 -0.021 0.000 1.212 160 W CA 1.299 58.631 57.345 -0.021 0.000 1.260 160 W CB -0.872 28.567 29.460 -0.035 0.000 1.131 160 W HN 0.689 nan 8.180 nan 0.000 0.530 161 N N 0.872 118.786 118.700 -1.311 0.000 2.515 161 N HA -0.144 4.596 4.740 0.000 0.000 0.185 161 N C 0.488 175.664 175.510 -0.557 0.000 1.109 161 N CA 1.027 53.248 53.050 -1.381 0.000 0.903 161 N CB -0.789 36.729 38.487 -1.614 0.000 0.969 161 N HN 0.101 nan 8.380 nan 0.000 0.450 162 D N 0.699 120.871 120.400 -0.380 0.000 2.350 162 D HA 0.132 4.772 4.640 0.000 0.000 0.213 162 D C 1.867 177.977 176.300 -0.318 0.000 1.031 162 D CA -0.020 53.805 54.000 -0.291 0.000 0.861 162 D CB 0.193 40.858 40.800 -0.224 0.000 0.926 162 D HN 0.270 nan 8.370 nan 0.000 0.520 163 L N 0.829 121.947 121.223 -0.175 0.000 2.362 163 L HA -0.080 4.261 4.340 0.000 0.000 0.219 163 L C 2.020 178.857 176.870 -0.054 0.000 1.134 163 L CA 1.132 55.919 54.840 -0.087 0.000 0.807 163 L CB -0.551 41.538 42.059 0.050 0.000 0.927 163 L HN 0.078 nan 8.230 nan 0.000 0.447 164 T N -4.128 110.411 114.554 -0.025 0.000 3.107 164 T HA 0.171 4.521 4.350 0.000 0.000 0.249 164 T C 0.846 175.551 174.700 0.007 0.000 1.096 164 T CA -0.147 62.011 62.100 0.097 0.000 1.012 164 T CB 0.054 69.047 68.868 0.209 0.000 0.977 164 T HN -0.061 nan 8.240 nan 0.000 0.527 165 M N 1.192 120.666 119.600 -0.211 0.000 2.235 165 M HA 0.258 4.738 4.480 0.000 0.000 0.351 165 M C 1.761 177.824 176.300 -0.394 0.000 1.178 165 M CA -0.617 54.490 55.300 -0.322 0.000 1.143 165 M CB 0.762 33.088 32.600 -0.458 0.000 1.530 165 M HN 0.315 nan 8.290 nan 0.000 0.461 166 c N 4.244 122.681 118.600 -0.272 0.000 2.422 166 c HA -0.192 4.379 4.570 0.000 0.000 0.279 166 c C 2.547 176.539 174.090 -0.164 0.000 1.305 166 c CA 0.961 57.166 56.329 -0.206 0.000 1.757 166 c CB -1.307 41.085 42.510 -0.197 0.000 1.962 166 c HN 0.873 nan 8.230 nan 0.000 0.499 167 F N 1.353 121.221 119.950 -0.137 0.000 2.365 167 F HA 0.160 4.687 4.527 0.000 0.000 0.300 167 F C 1.511 177.217 175.800 -0.157 0.000 1.090 167 F CA 1.319 59.236 58.000 -0.138 0.000 1.408 167 F CB -0.967 37.940 39.000 -0.156 0.000 1.060 167 F HN 0.180 nan 8.300 nan 0.000 0.534 168 N N 0.881 119.050 118.700 -0.884 0.000 2.321 168 N HA 0.057 4.797 4.740 0.000 0.000 0.242 168 N C -0.224 175.108 175.510 -0.298 0.000 1.141 168 N CA 0.244 52.875 53.050 -0.700 0.000 0.864 168 N CB -0.142 37.724 38.487 -1.034 0.000 1.100 168 N HN 0.357 nan 8.380 nan 0.000 0.510 169 S N 0.307 115.898 115.700 -0.181 0.000 2.573 169 S HA 0.306 4.777 4.470 0.000 0.000 0.277 169 S C -2.529 172.110 174.600 0.064 0.000 1.346 169 S CA -0.893 57.279 58.200 -0.048 0.000 1.034 169 S CB 0.592 63.763 63.200 -0.048 0.000 0.879 169 S HN 0.124 nan 8.310 nan 0.000 0.528 170 P HA 0.264 nan 4.420 nan 0.000 0.276 170 P C -2.450 174.966 177.300 0.192 0.000 1.235 170 P CA -1.871 61.343 63.100 0.191 0.000 0.772 170 P CB 0.022 31.807 31.700 0.142 0.000 0.871 171 P HA 0.188 nan 4.420 nan 0.000 0.214 171 P C -0.233 177.238 177.300 0.284 0.000 1.826 171 P CA -0.086 63.161 63.100 0.245 0.000 0.977 171 P CB -0.143 31.726 31.700 0.282 0.000 1.930 172 A N 1.642 124.613 122.820 0.253 0.000 2.272 172 A HA 0.580 4.900 4.320 0.000 0.000 0.275 172 A C 1.770 179.540 177.584 0.310 0.000 1.096 172 A CA 0.090 52.307 52.037 0.299 0.000 0.822 172 A CB 0.217 19.305 19.000 0.147 0.000 1.088 172 A HN 0.278 nan 8.150 nan 0.000 0.495 173 A N 0.271 123.236 122.820 0.242 0.000 1.883 173 A HA 0.264 4.584 4.320 0.000 0.000 0.217 173 A C 1.452 178.990 177.584 -0.078 0.000 1.186 173 A CA 1.865 53.849 52.037 -0.087 0.000 0.624 173 A CB -0.929 17.975 19.000 -0.160 0.000 0.822 173 A HN 1.942 nan 8.150 nan 0.000 0.444 174 A N 0.106 122.790 122.820 -0.226 0.000 2.276 174 A HA 0.542 4.863 4.320 0.000 0.000 0.300 174 A C -0.207 177.232 177.584 -0.242 0.000 1.235 174 A CA -0.416 51.255 52.037 -0.609 0.000 0.867 174 A CB 0.008 18.393 19.000 -1.024 0.000 1.137 174 A HN 0.370 nan 8.150 nan 0.000 0.527 175 N N 2.705 121.333 118.700 -0.119 0.000 2.533 175 N HA 0.459 5.200 4.740 0.000 0.000 0.289 175 N C -1.770 173.787 175.510 0.080 0.000 1.103 175 N CA -0.283 52.771 53.050 0.006 0.000 0.877 175 N CB 0.886 39.388 38.487 0.025 0.000 1.419 175 N HN 0.498 nan 8.380 nan 0.000 0.517 176 I N 1.736 122.390 120.570 0.139 0.000 2.465 176 I HA 0.247 4.417 4.170 0.000 0.000 0.291 176 I C -0.264 175.988 176.117 0.225 0.000 1.014 176 I CA -0.631 60.789 61.300 0.201 0.000 1.093 176 I CB 1.551 39.704 38.000 0.256 0.000 1.267 176 I HN 0.389 nan 8.210 nan 0.000 0.431 177 D N 5.807 126.318 120.400 0.184 0.000 2.704 177 D HA -0.226 4.414 4.640 0.000 0.000 0.232 177 D C 0.153 176.540 176.300 0.145 0.000 1.183 177 D CA 0.846 54.954 54.000 0.179 0.000 0.647 177 D CB -0.943 40.008 40.800 0.251 0.000 1.013 177 D HN 0.776 nan 8.370 nan 0.000 0.415 178 N N -0.543 118.217 118.700 0.101 0.000 2.753 178 N HA -0.287 4.454 4.740 0.000 0.000 0.251 178 N C -0.134 175.401 175.510 0.041 0.000 1.097 178 N CA 1.189 54.277 53.050 0.063 0.000 0.786 178 N CB -1.857 36.661 38.487 0.053 0.000 1.137 178 N HN 0.736 nan 8.380 nan 0.000 0.566 179 N N -1.471 117.258 118.700 0.049 0.000 2.710 179 N HA -0.226 4.514 4.740 0.000 0.000 0.249 179 N C -0.929 174.542 175.510 -0.066 0.000 1.059 179 N CA 1.095 54.123 53.050 -0.037 0.000 0.720 179 N CB -1.044 37.428 38.487 -0.025 0.000 0.983 179 N HN 0.478 nan 8.380 nan 0.000 0.544 180 c N 0.379 118.964 118.600 -0.025 0.000 2.634 180 c HA 0.830 5.400 4.570 0.000 0.000 0.313 180 c C 0.076 174.132 174.090 -0.056 0.000 1.198 180 c CA -0.830 55.449 56.329 -0.083 0.000 1.605 180 c CB 0.644 43.118 42.510 -0.059 0.000 2.196 180 c HN 0.407 nan 8.230 nan 0.000 0.486 181 F N 0.928 120.672 119.950 -0.344 0.000 2.790 181 F HA 0.929 5.456 4.527 0.000 0.000 0.337 181 F C -1.049 174.482 175.800 -0.448 0.000 1.163 181 F CA -1.253 56.255 58.000 -0.821 0.000 0.997 181 F CB 0.973 39.105 39.000 -1.447 0.000 1.437 181 F HN 0.646 nan 8.300 nan 0.000 0.512 182 Y N -0.413 119.617 120.300 -0.452 0.000 2.615 182 Y HA 0.928 5.478 4.550 0.000 0.000 0.341 182 Y C -1.269 174.740 175.900 0.182 0.000 1.089 182 Y CA -1.821 56.167 58.100 -0.187 0.000 1.049 182 Y CB 1.171 39.586 38.460 -0.075 0.000 1.296 182 Y HN 0.957 nan 8.280 nan 0.000 0.470 183 A N 1.150 124.149 122.820 0.298 0.000 2.356 183 A HA 0.675 4.995 4.320 0.000 0.000 0.323 183 A C -1.206 176.536 177.584 0.264 0.000 1.119 183 A CA -1.065 51.129 52.037 0.261 0.000 0.790 183 A CB 1.179 20.354 19.000 0.292 0.000 1.273 183 A HN 0.811 nan 8.150 nan 0.000 0.452 184 E N 0.525 120.823 120.200 0.164 0.000 2.146 184 E HA 0.481 4.831 4.350 0.000 0.000 0.282 184 E C -1.475 175.074 176.600 -0.086 0.000 0.989 184 E CA -0.243 56.201 56.400 0.073 0.000 0.799 184 E CB 1.301 31.069 29.700 0.114 0.000 1.088 184 E HN 0.417 nan 8.360 nan 0.000 0.397 185 L N 2.721 123.746 121.223 -0.331 0.000 2.346 185 L HA 0.342 4.682 4.340 0.000 0.000 0.274 185 L C -0.432 176.207 176.870 -0.385 0.000 1.007 185 L CA -0.470 54.092 54.840 -0.463 0.000 0.818 185 L CB 1.557 43.065 42.059 -0.918 0.000 1.284 185 L HN 0.414 nan 8.230 nan 0.000 0.424 186 D N 2.121 122.429 120.400 -0.154 0.000 2.420 186 D HA 0.482 5.123 4.640 0.000 0.000 0.255 186 D C -0.217 176.113 176.300 0.050 0.000 1.185 186 D CA -0.290 53.699 54.000 -0.019 0.000 0.904 186 D CB 1.834 42.644 40.800 0.017 0.000 1.102 186 D HN 0.574 nan 8.370 nan 0.000 0.534 187 A N 3.809 126.720 122.820 0.152 0.000 2.507 187 A HA 0.095 4.415 4.320 0.000 0.000 0.270 187 A C 0.847 178.523 177.584 0.154 0.000 1.318 187 A CA -0.485 51.656 52.037 0.173 0.000 0.924 187 A CB -0.408 18.759 19.000 0.279 0.000 1.061 187 A HN 0.360 nan 8.150 nan 0.000 0.516 188 N N 1.784 120.577 118.700 0.155 0.000 3.050 188 N HA 0.112 4.852 4.740 0.000 0.000 0.289 188 N C -0.537 175.053 175.510 0.134 0.000 1.209 188 N CA 0.455 53.606 53.050 0.169 0.000 1.154 188 N CB -0.257 38.342 38.487 0.187 0.000 1.444 188 N HN 0.329 nan 8.380 nan 0.000 0.529 189 K N 0.993 121.464 120.400 0.118 0.000 2.509 189 K HA 0.305 4.625 4.320 0.000 0.000 0.266 189 K C -0.646 176.011 176.600 0.094 0.000 0.987 189 K CA -0.891 55.455 56.287 0.098 0.000 0.868 189 K CB 1.395 33.948 32.500 0.089 0.000 1.421 189 K HN 0.271 nan 8.250 nan 0.000 0.444 190 N N 1.508 120.257 118.700 0.082 0.000 2.482 190 N HA 0.173 4.913 4.740 0.000 0.000 0.260 190 N C -2.615 172.942 175.510 0.080 0.000 1.236 190 N CA -1.118 51.977 53.050 0.074 0.000 0.938 190 N CB 0.153 38.676 38.487 0.060 0.000 1.128 190 N HN 0.121 nan 8.380 nan 0.000 0.448 191 P HA 0.014 nan 4.420 nan 0.000 0.264 191 P C 0.771 178.125 177.300 0.091 0.000 1.183 191 P CA 0.927 64.084 63.100 0.094 0.000 0.763 191 P CB 0.517 32.258 31.700 0.069 0.000 0.807 192 G N 1.823 110.705 108.800 0.137 0.000 2.254 192 G HA2 -0.200 3.760 3.960 0.000 0.000 0.225 192 G HA3 -0.200 3.760 3.960 0.000 0.000 0.225 192 G C 0.148 175.099 174.900 0.084 0.000 1.003 192 G CA -0.321 44.817 45.100 0.063 0.000 0.622 192 G HN 0.534 nan 8.290 nan 0.000 0.507 193 E N 0.310 120.575 120.200 0.109 0.000 2.314 193 E HA 0.527 4.877 4.350 0.000 0.000 0.262 193 E C 0.097 176.775 176.600 0.131 0.000 1.093 193 E CA -0.848 55.608 56.400 0.094 0.000 0.908 193 E CB 0.942 30.689 29.700 0.079 0.000 1.091 193 E HN 0.127 nan 8.360 nan 0.000 0.425 194 I N 2.214 122.847 120.570 0.105 0.000 2.342 194 I HA 0.079 4.249 4.170 0.000 0.000 0.291 194 I C 0.158 176.327 176.117 0.087 0.000 1.010 194 I CA -0.407 60.960 61.300 0.111 0.000 1.308 194 I CB 0.830 38.882 38.000 0.087 0.000 1.400 194 I HN 0.239 nan 8.210 nan 0.000 0.488 195 V N 6.900 126.863 119.914 0.081 0.000 2.673 195 V HA -0.012 4.108 4.120 0.000 0.000 0.303 195 V C 0.845 176.963 176.094 0.041 0.000 1.046 195 V CA -0.301 62.035 62.300 0.060 0.000 1.126 195 V CB 0.287 32.142 31.823 0.053 0.000 0.934 195 V HN 0.649 nan 8.190 nan 0.000 0.487 196 K N 5.360 125.777 120.400 0.028 0.000 2.276 196 K HA 0.482 4.802 4.320 0.000 0.000 0.285 196 K C -0.901 175.696 176.600 -0.004 0.000 1.062 196 K CA -0.325 55.973 56.287 0.019 0.000 0.918 196 K CB 0.391 32.904 32.500 0.021 0.000 1.055 196 K HN 0.619 nan 8.250 nan 0.000 0.477 197 I N 4.517 125.093 120.570 0.010 0.000 2.493 197 I HA 0.213 4.383 4.170 0.000 0.000 0.279 197 I C -0.856 175.279 176.117 0.031 0.000 1.045 197 I CA -0.904 60.401 61.300 0.009 0.000 1.106 197 I CB 1.432 39.444 38.000 0.019 0.000 1.216 197 I HN 0.494 nan 8.210 nan 0.000 0.459 198 N N 4.751 123.472 118.700 0.035 0.000 2.361 198 N HA 0.465 5.205 4.740 0.000 0.000 0.302 198 N C -0.659 174.892 175.510 0.069 0.000 1.074 198 N CA -0.499 52.579 53.050 0.048 0.000 0.850 198 N CB 3.097 41.608 38.487 0.040 0.000 1.228 198 N HN 0.128 nan 8.380 nan 0.000 0.491 199 V N 3.395 123.349 119.914 0.067 0.000 2.432 199 V HA 0.297 4.417 4.120 0.000 0.000 0.275 199 V C -1.803 174.334 176.094 0.072 0.000 1.043 199 V CA -1.373 60.981 62.300 0.089 0.000 0.925 199 V CB 1.004 32.865 31.823 0.063 0.000 0.985 199 V HN 0.540 nan 8.190 nan 0.000 0.466 200 P HA 0.094 nan 4.420 nan 0.000 0.268 200 P C 0.709 177.961 177.300 -0.080 0.000 1.208 200 P CA 0.025 63.114 63.100 -0.018 0.000 0.777 200 P CB 0.687 32.306 31.700 -0.135 0.000 0.875 201 A N 2.877 125.632 122.820 -0.108 0.000 2.024 201 A HA -0.224 4.096 4.320 0.000 0.000 0.220 201 A C 1.842 179.314 177.584 -0.186 0.000 1.164 201 A CA 1.470 53.440 52.037 -0.113 0.000 0.643 201 A CB -0.943 18.005 19.000 -0.087 0.000 0.806 201 A HN 0.704 nan 8.150 nan 0.000 0.451 202 Q N -1.425 118.156 119.800 -0.364 0.000 2.436 202 Q HA -0.004 4.336 4.340 0.000 0.000 0.209 202 Q C -0.667 175.058 176.000 -0.458 0.000 0.965 202 Q CA 0.487 56.010 55.803 -0.468 0.000 0.910 202 Q CB -0.320 28.033 28.738 -0.642 0.000 0.980 202 Q HN 0.478 nan 8.270 nan 0.000 0.491 203 F N 2.891 122.791 119.950 -0.084 0.000 2.436 203 F HA 0.395 4.922 4.527 0.000 0.000 0.340 203 F C -2.049 173.677 175.800 -0.124 0.000 1.113 203 F CA -3.233 54.713 58.000 -0.090 0.000 1.022 203 F CB 1.594 40.528 39.000 -0.110 0.000 1.128 203 F HN -0.106 nan 8.300 nan 0.000 0.466 204 P HA 0.258 nan 4.420 nan 0.000 0.219 204 P C -0.700 176.616 177.300 0.027 0.000 1.832 204 P CA 0.292 63.395 63.100 0.006 0.000 1.014 204 P CB 0.169 31.836 31.700 -0.056 0.000 1.939 205 I N 1.153 121.701 120.570 -0.036 0.000 2.865 205 I HA 0.385 4.555 4.170 0.000 0.000 0.302 205 I C 0.053 176.143 176.117 -0.045 0.000 1.140 205 I CA -0.969 60.256 61.300 -0.125 0.000 1.021 205 I CB 2.639 40.255 38.000 -0.640 0.000 1.233 205 I HN 0.070 nan 8.210 nan 0.000 0.427 206 Q N 3.263 123.095 119.800 0.052 0.000 2.337 206 Q HA 0.602 4.943 4.340 0.000 0.000 0.266 206 Q C -1.008 175.115 176.000 0.205 0.000 1.023 206 Q CA -0.726 55.137 55.803 0.100 0.000 0.829 206 Q CB 3.180 31.971 28.738 0.088 0.000 1.306 206 Q HN 0.343 nan 8.270 nan 0.000 0.449 207 V N 4.629 124.638 119.914 0.158 0.000 2.417 207 V HA 0.588 4.708 4.120 0.000 0.000 0.291 207 V C -0.480 175.747 176.094 0.222 0.000 1.024 207 V CA -0.624 61.766 62.300 0.151 0.000 0.861 207 V CB 0.623 32.460 31.823 0.023 0.000 0.985 207 V HN 0.685 nan 8.190 nan 0.000 0.436 208 F N 2.030 121.976 119.950 -0.006 0.000 2.640 208 F HA 1.043 5.571 4.527 0.000 0.000 0.324 208 F C 0.310 176.102 175.800 -0.013 0.000 1.077 208 F CA -0.264 57.722 58.000 -0.023 0.000 0.965 208 F CB 1.885 40.851 39.000 -0.058 0.000 1.351 208 F HN 0.997 nan 8.300 nan 0.000 0.487 209 G N 1.121 109.961 108.800 0.067 0.000 2.566 209 G HA2 0.200 4.160 3.960 0.000 0.000 0.599 209 G HA3 0.200 4.160 3.960 0.000 0.000 0.599 209 G C -2.070 172.838 174.900 0.014 0.000 1.292 209 G CA -0.899 44.174 45.100 -0.045 0.000 0.922 209 G HN 0.942 nan 8.290 nan 0.000 0.514 210 Q N -1.251 118.563 119.800 0.023 0.000 2.359 210 Q HA 0.624 4.964 4.340 0.000 0.000 0.274 210 Q C -1.096 174.946 176.000 0.070 0.000 1.074 210 Q CA -0.910 54.928 55.803 0.059 0.000 0.810 210 Q CB 3.135 31.925 28.738 0.086 0.000 1.342 210 Q HN 0.674 nan 8.270 nan 0.000 0.427 211 V N 2.639 122.592 119.914 0.065 0.000 2.540 211 V HA 0.441 4.561 4.120 0.000 0.000 0.302 211 V C -1.057 175.077 176.094 0.066 0.000 1.035 211 V CA -0.852 61.463 62.300 0.025 0.000 0.873 211 V CB 1.094 32.915 31.823 -0.003 0.000 0.992 211 V HN 0.708 nan 8.190 nan 0.000 0.428 212 Y N 2.974 123.299 120.300 0.042 0.000 2.457 212 Y HA 0.852 5.403 4.550 0.000 0.000 0.333 212 Y C -0.393 175.533 175.900 0.044 0.000 1.119 212 Y CA -1.490 56.633 58.100 0.039 0.000 1.143 212 Y CB 1.186 39.664 38.460 0.030 0.000 1.230 212 Y HN 0.283 nan 8.280 nan 0.000 0.469 213 V N 3.332 123.351 119.914 0.174 0.000 2.530 213 V HA 0.573 4.693 4.120 0.000 0.000 0.282 213 V C 0.366 176.575 176.094 0.192 0.000 1.048 213 V CA -0.286 62.070 62.300 0.093 0.000 0.997 213 V CB 0.433 32.319 31.823 0.106 0.000 0.987 213 V HN 1.020 nan 8.190 nan 0.000 0.477 214 A N 4.121 126.986 122.820 0.075 0.000 2.306 214 A HA 0.643 4.964 4.320 0.000 0.000 0.314 214 A C -0.038 177.589 177.584 0.072 0.000 1.164 214 A CA -0.790 51.323 52.037 0.126 0.000 0.822 214 A CB 0.479 19.497 19.000 0.029 0.000 1.130 214 A HN 0.987 nan 8.150 nan 0.000 0.496 215 D N 1.239 121.680 120.400 0.068 0.000 2.363 215 D HA 0.147 4.787 4.640 0.000 0.000 0.240 215 D C 1.404 177.710 176.300 0.010 0.000 1.236 215 D CA 0.277 54.295 54.000 0.030 0.000 0.927 215 D CB 0.260 41.073 40.800 0.021 0.000 1.150 215 D HN 0.494 nan 8.370 nan 0.000 0.458 216 S N 0.493 116.195 115.700 0.002 0.000 2.413 216 S HA -0.384 4.086 4.470 0.000 0.000 0.237 216 S C 1.268 175.866 174.600 -0.004 0.000 1.044 216 S CA 1.728 59.926 58.200 -0.003 0.000 1.024 216 S CB -1.012 62.187 63.200 -0.002 0.000 0.829 216 S HN 0.646 nan 8.310 nan 0.000 0.475 217 N N 0.833 119.523 118.700 -0.017 0.000 2.446 217 N HA 0.068 4.809 4.740 0.000 0.000 0.179 217 N C 1.803 177.249 175.510 -0.107 0.000 1.054 217 N CA 0.877 53.902 53.050 -0.043 0.000 0.905 217 N CB 0.024 38.480 38.487 -0.051 0.000 0.973 217 N HN 0.761 nan 8.380 nan 0.000 0.448 218 E N 0.463 120.611 120.200 -0.087 0.000 2.434 218 E HA 0.160 4.510 4.350 0.000 0.000 0.207 218 E C 1.761 178.362 176.600 0.001 0.000 0.929 218 E CA 0.065 56.384 56.400 -0.136 0.000 1.001 218 E CB 0.148 29.804 29.700 -0.075 0.000 1.016 218 E HN 0.212 nan 8.360 nan 0.000 0.502 219 A N 2.234 125.064 122.820 0.018 0.000 1.958 219 A HA -0.133 4.187 4.320 0.000 0.000 0.221 219 A C -0.292 177.327 177.584 0.059 0.000 1.178 219 A CA 1.505 53.557 52.037 0.025 0.000 0.642 219 A CB -1.436 17.565 19.000 0.000 0.000 0.816 219 A HN 0.356 nan 8.150 nan 0.000 0.453 220 P HA -0.026 nan 4.420 nan 0.000 0.229 220 P C 0.719 178.123 177.300 0.174 0.000 1.160 220 P CA 0.752 63.921 63.100 0.115 0.000 0.777 220 P CB -0.127 31.647 31.700 0.123 0.000 0.814 221 Y N -1.607 118.690 120.300 -0.004 0.000 2.523 221 Y HA 0.046 4.596 4.550 0.000 0.000 0.279 221 Y C 1.279 177.178 175.900 -0.003 0.000 1.139 221 Y CA -0.640 57.462 58.100 0.003 0.000 1.296 221 Y CB -0.101 38.370 38.460 0.018 0.000 1.045 221 Y HN -0.172 nan 8.280 nan 0.000 0.538 222 c N 2.021 120.711 118.600 0.151 0.000 2.657 222 c HA 0.042 4.612 4.570 0.000 0.000 0.420 222 c C 0.278 174.384 174.090 0.027 0.000 1.323 222 c CA 0.173 56.535 56.329 0.055 0.000 1.894 222 c CB -0.473 42.029 42.510 -0.013 0.000 2.681 222 c HN 0.365 nan 8.230 nan 0.000 0.613 223 Q N 1.479 121.288 119.800 0.015 0.000 2.372 223 Q HA 0.496 4.836 4.340 0.000 0.000 0.273 223 Q C -1.120 174.877 176.000 -0.004 0.000 1.078 223 Q CA -0.805 55.003 55.803 0.009 0.000 0.806 223 Q CB 2.307 31.061 28.738 0.026 0.000 1.332 223 Q HN 0.632 nan 8.270 nan 0.000 0.435 224 L N 2.897 124.123 121.223 0.006 0.000 2.257 224 L HA 0.371 4.712 4.340 0.000 0.000 0.290 224 L C -1.026 175.868 176.870 0.040 0.000 1.044 224 L CA 0.108 54.960 54.840 0.020 0.000 0.810 224 L CB 0.712 42.802 42.059 0.053 0.000 1.193 224 L HN 0.395 nan 8.230 nan 0.000 0.425 225 D N 3.879 124.304 120.400 0.042 0.000 2.193 225 D HA 0.534 5.174 4.640 0.000 0.000 0.249 225 D C -0.835 175.499 176.300 0.056 0.000 1.034 225 D CA 0.012 54.049 54.000 0.061 0.000 0.902 225 D CB 2.184 43.028 40.800 0.072 0.000 1.182 225 D HN 0.318 nan 8.370 nan 0.000 0.436 226 V N 1.876 121.839 119.914 0.082 0.000 2.525 226 V HA 0.363 4.483 4.120 0.000 0.000 0.299 226 V C -0.305 175.861 176.094 0.119 0.000 1.034 226 V CA -0.808 61.533 62.300 0.069 0.000 0.863 226 V CB 2.024 33.901 31.823 0.090 0.000 0.999 226 V HN 0.258 nan 8.190 nan 0.000 0.423 227 V N 5.379 125.341 119.914 0.081 0.000 2.409 227 V HA 0.432 4.552 4.120 0.000 0.000 0.291 227 V C -0.020 176.120 176.094 0.076 0.000 1.020 227 V CA -0.718 61.636 62.300 0.089 0.000 0.848 227 V CB 2.015 33.883 31.823 0.076 0.000 0.990 227 V HN 0.612 nan 8.190 nan 0.000 0.430 228 V N 5.300 125.211 119.914 -0.006 0.000 2.530 228 V HA 0.345 4.465 4.120 0.000 0.000 0.282 228 V C -0.068 175.955 176.094 -0.118 0.000 1.048 228 V CA -0.129 62.108 62.300 -0.105 0.000 0.997 228 V CB 0.722 32.470 31.823 -0.125 0.000 0.987 228 V HN 0.913 nan 8.190 nan 0.000 0.477 229 H N 1.241 120.261 119.070 -0.083 0.000 2.754 229 H HA 0.475 5.031 4.556 0.000 0.000 0.352 229 H C -0.365 174.924 175.328 -0.065 0.000 1.213 229 H CA -0.979 55.063 56.048 -0.010 0.000 1.244 229 H CB 0.612 30.451 29.762 0.128 0.000 1.843 229 H HN 0.555 nan 8.280 nan 0.000 0.587 230 D N 0.208 120.660 120.400 0.087 0.000 2.390 230 D HA -0.022 4.619 4.640 0.000 0.000 0.236 230 D C -0.043 176.263 176.300 0.010 0.000 1.189 230 D CA 0.503 54.516 54.000 0.022 0.000 0.887 230 D CB 0.053 40.865 40.800 0.019 0.000 1.198 230 D HN 0.654 nan 8.370 nan 0.000 0.444 231 N N 0.866 119.567 118.700 0.002 0.000 2.740 231 N HA -0.267 4.473 4.740 0.000 0.000 0.248 231 N C -0.979 174.542 175.510 0.019 0.000 1.062 231 N CA 0.547 53.605 53.050 0.013 0.000 0.704 231 N CB -1.526 36.966 38.487 0.008 0.000 0.968 231 N HN 0.558 nan 8.380 nan 0.000 0.547 232 N N -0.936 117.755 118.700 -0.014 0.000 2.725 232 N HA -0.241 4.499 4.740 0.000 0.000 0.251 232 N C -1.018 174.531 175.510 0.066 0.000 1.031 232 N CA 0.705 53.762 53.050 0.011 0.000 0.720 232 N CB -0.394 38.182 38.487 0.150 0.000 0.930 232 N HN 0.451 nan 8.380 nan 0.000 0.543 233 R N 1.034 121.514 120.500 -0.032 0.000 2.387 233 R HA 0.405 4.745 4.340 0.000 0.000 0.314 233 R C -1.049 175.342 176.300 0.151 0.000 0.958 233 R CA -0.458 55.744 56.100 0.170 0.000 0.846 233 R CB 0.990 31.355 30.300 0.109 0.000 1.147 233 R HN 0.156 nan 8.270 nan 0.000 0.447 234 Y N 1.268 121.696 120.300 0.214 0.000 2.341 234 Y HA 0.200 4.750 4.550 0.000 0.000 0.338 234 Y C 0.261 175.968 175.900 -0.321 0.000 0.965 234 Y CA -0.685 57.421 58.100 0.011 0.000 1.108 234 Y CB 1.922 40.310 38.460 -0.120 0.000 1.180 234 Y HN 0.366 nan 8.280 nan 0.000 0.458 235 Q N 3.985 123.500 119.800 -0.475 0.000 2.274 235 Q HA 0.552 4.892 4.340 0.000 0.000 0.256 235 Q C -1.072 174.695 176.000 -0.389 0.000 0.927 235 Q CA -0.846 54.352 55.803 -1.009 0.000 0.939 235 Q CB 1.212 29.422 28.738 -0.879 0.000 1.201 235 Q HN 0.679 nan 8.270 nan 0.000 0.426 236 V N 1.018 120.739 119.914 -0.321 0.000 2.630 236 V HA 0.745 4.865 4.120 0.000 0.000 0.305 236 V C -0.848 175.192 176.094 -0.090 0.000 1.046 236 V CA -0.672 61.545 62.300 -0.138 0.000 0.934 236 V CB 1.664 33.432 31.823 -0.090 0.000 1.003 236 V HN 0.812 nan 8.190 nan 0.000 0.451 237 K N 1.996 122.379 120.400 -0.028 0.000 2.555 237 K HA 0.822 5.142 4.320 0.000 0.000 0.279 237 K C -0.057 176.551 176.600 0.014 0.000 0.986 237 K CA -0.288 56.005 56.287 0.011 0.000 0.880 237 K CB 2.226 34.743 32.500 0.029 0.000 1.474 237 K HN 1.609 nan 8.250 nan 0.000 0.433 238 G N -0.051 108.766 108.800 0.029 0.000 2.428 238 G HA2 -0.050 3.910 3.960 0.000 0.000 0.202 238 G HA3 -0.050 3.910 3.960 0.000 0.000 0.202 238 G C -0.914 173.803 174.900 -0.306 0.000 1.247 238 G CA -0.557 44.514 45.100 -0.048 0.000 1.020 238 G HN 1.261 nan 8.290 nan 0.000 0.529 239 c N -1.480 116.900 118.600 -0.366 0.000 3.291 239 c HA 0.977 5.547 4.570 0.000 0.000 0.316 239 c C -0.462 173.482 174.090 -0.245 0.000 1.391 239 c CA -1.048 54.943 56.329 -0.565 0.000 1.394 239 c CB 1.046 42.956 42.510 -1.000 0.000 1.744 239 c HN 1.277 nan 8.230 nan 0.000 0.461 240 L N 0.944 122.054 121.223 -0.189 0.000 2.465 240 L HA 0.727 5.067 4.340 0.000 0.000 0.257 240 L C 0.272 177.108 176.870 -0.056 0.000 0.988 240 L CA -0.530 54.270 54.840 -0.068 0.000 0.827 240 L CB 2.000 44.073 42.059 0.023 0.000 1.397 240 L HN 1.137 nan 8.230 nan 0.000 0.410 241 A N 1.581 124.371 122.820 -0.050 0.000 2.351 241 A HA 0.462 4.782 4.320 0.000 0.000 0.257 241 A C 0.043 177.600 177.584 -0.045 0.000 1.087 241 A CA -0.220 51.787 52.037 -0.049 0.000 0.798 241 A CB 0.454 19.411 19.000 -0.071 0.000 1.033 241 A HN 0.820 nan 8.150 nan 0.000 0.488 242 R N 0.693 121.169 120.500 -0.040 0.000 2.638 242 R HA 0.093 4.433 4.340 0.000 0.000 0.268 242 R C -0.604 175.614 176.300 -0.137 0.000 1.006 242 R CA 0.950 57.022 56.100 -0.046 0.000 1.088 242 R CB 0.102 30.380 30.300 -0.037 0.000 0.950 242 R HN 0.771 nan 8.270 nan 0.000 0.419 243 Q N 2.850 122.603 119.800 -0.078 0.000 2.323 243 Q HA 0.163 4.504 4.340 0.000 0.000 0.271 243 Q C -0.567 175.445 176.000 0.020 0.000 1.048 243 Q CA -0.788 54.932 55.803 -0.138 0.000 0.792 243 Q CB 1.585 30.260 28.738 -0.105 0.000 1.280 243 Q HN 0.648 nan 8.270 nan 0.000 0.441 244 Y N 0.667 120.997 120.300 0.049 0.000 2.314 244 Y HA -0.006 4.544 4.550 0.000 0.000 0.293 244 Y C 0.378 176.324 175.900 0.076 0.000 1.129 244 Y CA 0.766 58.900 58.100 0.055 0.000 1.201 244 Y CB 0.262 38.742 38.460 0.033 0.000 0.999 244 Y HN 0.254 nan 8.280 nan 0.000 0.541 245 K N 1.362 121.918 120.400 0.260 0.000 2.138 245 K HA 0.267 4.587 4.320 0.000 0.000 0.263 245 K C -2.572 174.181 176.600 0.255 0.000 0.965 245 K CA -2.147 54.263 56.287 0.205 0.000 0.868 245 K CB 0.685 33.279 32.500 0.156 0.000 1.083 245 K HN -0.169 nan 8.250 nan 0.000 0.443 246 P HA 0.008 nan 4.420 nan 0.000 0.268 246 P C -1.046 176.393 177.300 0.231 0.000 1.205 246 P CA 0.161 63.358 63.100 0.161 0.000 0.771 246 P CB 0.191 31.937 31.700 0.077 0.000 0.858 247 F N -0.539 119.433 119.950 0.037 0.000 2.664 247 F HA 0.816 5.343 4.527 0.000 0.000 0.317 247 F C -0.401 175.418 175.800 0.030 0.000 1.108 247 F CA -1.308 56.699 58.000 0.012 0.000 0.957 247 F CB 0.982 39.977 39.000 -0.009 0.000 1.365 247 F HN 0.354 nan 8.300 nan 0.000 0.475 248 G N 1.311 110.178 108.800 0.112 0.000 2.420 248 G HA2 0.665 4.625 3.960 0.000 0.000 0.331 248 G HA3 0.665 4.625 3.960 0.000 0.000 0.331 248 G C -1.949 173.000 174.900 0.081 0.000 1.168 248 G CA -0.984 44.141 45.100 0.042 0.000 0.936 248 G HN 0.778 nan 8.290 nan 0.000 0.479 249 L N 1.229 122.458 121.223 0.010 0.000 2.362 249 L HA 0.449 4.789 4.340 0.000 0.000 0.275 249 L C 0.080 176.627 176.870 -0.539 0.000 0.998 249 L CA -0.716 53.998 54.840 -0.210 0.000 0.820 249 L CB 2.297 44.250 42.059 -0.176 0.000 1.270 249 L HN 0.450 nan 8.230 nan 0.000 0.415 250 S N 2.071 117.356 115.700 -0.690 0.000 2.585 250 S HA 0.739 5.209 4.470 0.000 0.000 0.277 250 S C -0.877 172.943 174.600 -1.300 0.000 1.241 250 S CA -0.336 57.417 58.200 -0.745 0.000 1.041 250 S CB 1.016 63.975 63.200 -0.402 0.000 0.987 250 S HN 0.243 nan 8.310 nan 0.000 0.512 251 F N 0.363 119.824 119.950 -0.814 0.000 2.599 251 F HA 0.631 5.159 4.527 0.000 0.000 0.311 251 F C 0.248 175.629 175.800 -0.698 0.000 1.076 251 F CA -1.186 56.321 58.000 -0.822 0.000 0.937 251 F CB 1.185 39.461 39.000 -1.207 0.000 1.282 251 F HN 0.594 nan 8.300 nan 0.000 0.460 252 A N 1.437 124.180 122.820 -0.128 0.000 2.409 252 A HA 0.560 4.880 4.320 0.000 0.000 0.262 252 A C -0.413 177.284 177.584 0.188 0.000 1.113 252 A CA -0.481 51.536 52.037 -0.032 0.000 0.790 252 A CB 0.107 19.089 19.000 -0.031 0.000 1.046 252 A HN 0.572 nan 8.150 nan 0.000 0.496 253 V N 3.676 123.658 119.914 0.114 0.000 2.655 253 V HA -0.012 4.109 4.120 0.000 0.000 0.300 253 V C 1.071 177.231 176.094 0.111 0.000 1.044 253 V CA 0.245 62.605 62.300 0.100 0.000 1.095 253 V CB 0.867 32.460 31.823 -0.384 0.000 0.952 253 V HN 1.060 nan 8.190 nan 0.000 0.485 254 Q N 2.537 122.430 119.800 0.155 0.000 2.200 254 Q HA 0.080 4.420 4.340 0.000 0.000 0.197 254 Q C 0.984 177.007 176.000 0.038 0.000 0.953 254 Q CA 0.554 56.397 55.803 0.068 0.000 0.851 254 Q CB -0.112 28.616 28.738 -0.016 0.000 0.938 254 Q HN 0.723 nan 8.270 nan 0.000 0.488 255 N N 1.860 120.581 118.700 0.036 0.000 2.589 255 N HA 0.022 4.762 4.740 0.000 0.000 0.232 255 N C 0.536 176.083 175.510 0.062 0.000 1.015 255 N CA 0.218 53.295 53.050 0.044 0.000 0.931 255 N CB 0.941 39.454 38.487 0.042 0.000 1.150 255 N HN 0.120 nan 8.380 nan 0.000 0.512 256 T N -0.206 114.372 114.554 0.040 0.000 2.904 256 T HA -0.053 4.297 4.350 0.000 0.000 0.267 256 T C 0.957 175.667 174.700 0.016 0.000 1.059 256 T CA 0.864 62.981 62.100 0.029 0.000 1.137 256 T CB 0.127 68.993 68.868 -0.003 0.000 0.879 256 T HN 0.197 nan 8.240 nan 0.000 0.467 257 D N 2.078 122.480 120.400 0.004 0.000 2.097 257 D HA 0.113 4.753 4.640 0.000 0.000 0.197 257 D C 2.510 178.830 176.300 0.033 0.000 0.984 257 D CA 1.448 55.439 54.000 -0.014 0.000 0.826 257 D CB -0.706 40.101 40.800 0.010 0.000 0.973 257 D HN 0.532 nan 8.370 nan 0.000 0.460 258 A N 0.029 122.887 122.820 0.064 0.000 1.933 258 A HA -0.220 4.100 4.320 0.000 0.000 0.218 258 A C 2.194 179.845 177.584 0.112 0.000 1.175 258 A CA 1.216 53.298 52.037 0.076 0.000 0.628 258 A CB -0.999 18.046 19.000 0.076 0.000 0.814 258 A HN 0.313 nan 8.150 nan 0.000 0.444 259 Y N 0.486 120.784 120.300 -0.002 0.000 2.163 259 Y HA -0.058 4.492 4.550 0.000 0.000 0.288 259 Y C 2.687 178.589 175.900 0.002 0.000 1.136 259 Y CA 1.228 59.334 58.100 0.010 0.000 1.147 259 Y CB -0.517 37.957 38.460 0.023 0.000 0.987 259 Y HN 0.304 nan 8.280 nan 0.000 0.509 260 A N 0.261 123.134 122.820 0.088 0.000 1.902 260 A HA -0.109 4.211 4.320 0.000 0.000 0.217 260 A C 2.400 179.986 177.584 0.003 0.000 1.181 260 A CA 1.843 53.870 52.037 -0.016 0.000 0.623 260 A CB -1.455 17.418 19.000 -0.211 0.000 0.818 260 A HN 0.572 nan 8.150 nan 0.000 0.443 261 A N -0.183 122.644 122.820 0.012 0.000 1.933 261 A HA 0.181 4.501 4.320 0.000 0.000 0.218 261 A C 2.483 180.054 177.584 -0.022 0.000 1.175 261 A CA 2.001 54.045 52.037 0.011 0.000 0.628 261 A CB -0.931 18.086 19.000 0.028 0.000 0.814 261 A HN 1.006 nan 8.150 nan 0.000 0.444 262 A N -0.036 122.761 122.820 -0.038 0.000 1.873 262 A HA -0.060 4.260 4.320 0.000 0.000 0.215 262 A C 2.136 179.662 177.584 -0.096 0.000 1.186 262 A CA 1.489 53.490 52.037 -0.060 0.000 0.616 262 A CB -0.570 18.385 19.000 -0.075 0.000 0.823 262 A HN 0.482 nan 8.150 nan 0.000 0.442 263 I N -0.388 120.089 120.570 -0.155 0.000 2.179 263 I HA -0.257 3.914 4.170 0.000 0.000 0.242 263 I C 2.324 178.408 176.117 -0.055 0.000 1.088 263 I CA 1.316 62.536 61.300 -0.133 0.000 1.357 263 I CB -0.349 37.545 38.000 -0.176 0.000 1.051 263 I HN 0.308 nan 8.210 nan 0.000 0.409 264 I N 0.458 121.004 120.570 -0.039 0.000 2.151 264 I HA -0.377 3.794 4.170 0.000 0.000 0.243 264 I C 2.600 178.659 176.117 -0.096 0.000 1.080 264 I CA 1.709 62.975 61.300 -0.056 0.000 1.339 264 I CB -0.401 37.561 38.000 -0.063 0.000 1.039 264 I HN 0.322 nan 8.210 nan 0.000 0.409 265 Q N 0.052 119.796 119.800 -0.093 0.000 2.119 265 Q HA -0.161 4.179 4.340 0.000 0.000 0.201 265 Q C 2.358 178.354 176.000 -0.006 0.000 0.972 265 Q CA 1.121 56.888 55.803 -0.060 0.000 0.847 265 Q CB -0.106 28.640 28.738 0.014 0.000 0.903 265 Q HN 0.452 nan 8.270 nan 0.000 0.433 266 R N 0.480 120.973 120.500 -0.011 0.000 2.105 266 R HA -0.178 4.162 4.340 0.000 0.000 0.239 266 R C 2.199 178.520 176.300 0.034 0.000 1.135 266 R CA 1.472 57.575 56.100 0.004 0.000 0.967 266 R CB -0.134 30.154 30.300 -0.020 0.000 0.861 266 R HN 0.373 nan 8.270 nan 0.000 0.442 267 Q N 0.305 120.127 119.800 0.037 0.000 2.123 267 Q HA -0.032 4.308 4.340 0.000 0.000 0.199 267 Q C 2.238 178.244 176.000 0.010 0.000 0.966 267 Q CA 0.888 56.748 55.803 0.096 0.000 0.845 267 Q CB 0.055 28.850 28.738 0.094 0.000 0.907 267 Q HN 0.339 nan 8.270 nan 0.000 0.439 268 L N 0.207 121.406 121.223 -0.039 0.000 2.083 268 L HA -0.198 4.142 4.340 0.000 0.000 0.209 268 L C 2.487 179.363 176.870 0.010 0.000 1.083 268 L CA 1.169 55.980 54.840 -0.049 0.000 0.752 268 L CB -0.335 41.687 42.059 -0.062 0.000 0.899 268 L HN 0.186 nan 8.230 nan 0.000 0.433 269 R N 0.173 120.696 120.500 0.038 0.000 2.073 269 R HA -0.210 4.130 4.340 0.000 0.000 0.234 269 R C 2.333 178.666 176.300 0.055 0.000 1.134 269 R CA 1.516 57.646 56.100 0.049 0.000 0.952 269 R CB -0.281 30.048 30.300 0.048 0.000 0.850 269 R HN 0.230 nan 8.270 nan 0.000 0.433 270 K N 0.990 121.441 120.400 0.084 0.000 2.152 270 K HA -0.115 4.205 4.320 0.000 0.000 0.206 270 K C 1.802 178.482 176.600 0.133 0.000 1.048 270 K CA 1.140 57.503 56.287 0.128 0.000 0.933 270 K CB -0.022 32.610 32.500 0.221 0.000 0.721 270 K HN 0.114 nan 8.250 nan 0.000 0.447 271 L N -0.364 120.904 121.223 0.075 0.000 2.552 271 L HA 0.089 4.429 4.340 0.000 0.000 0.227 271 L C 1.086 177.960 176.870 0.007 0.000 1.146 271 L CA 0.517 55.358 54.840 0.001 0.000 0.858 271 L CB 0.023 41.992 42.059 -0.150 0.000 0.969 271 L HN 0.550 nan 8.230 nan 0.000 0.451 272 G N 0.944 109.758 108.800 0.023 0.000 2.179 272 G HA2 -0.307 3.653 3.960 0.000 0.000 0.257 272 G HA3 -0.307 3.653 3.960 0.000 0.000 0.257 272 G C 0.193 175.103 174.900 0.016 0.000 1.010 272 G CA -0.019 45.093 45.100 0.020 0.000 0.736 272 G HN 0.331 nan 8.290 nan 0.000 0.513 273 I N 1.049 121.626 120.570 0.012 0.000 2.301 273 I HA 0.232 4.402 4.170 0.000 0.000 0.292 273 I C 0.838 176.993 176.117 0.064 0.000 1.046 273 I CA -0.486 60.828 61.300 0.023 0.000 1.282 273 I CB 1.161 39.160 38.000 -0.003 0.000 1.409 273 I HN 0.269 nan 8.210 nan 0.000 0.484 274 E N 6.793 127.031 120.200 0.063 0.000 2.415 274 E HA 0.108 4.458 4.350 0.000 0.000 0.263 274 E C -1.449 175.238 176.600 0.146 0.000 0.995 274 E CA 0.017 56.463 56.400 0.077 0.000 0.915 274 E CB 0.659 30.380 29.700 0.035 0.000 0.951 274 E HN 0.428 nan 8.360 nan 0.000 0.449 275 F N 4.844 124.788 119.950 -0.010 0.000 2.588 275 F HA 0.387 4.915 4.527 0.000 0.000 0.318 275 F C -0.952 174.844 175.800 -0.006 0.000 1.155 275 F CA -0.752 57.242 58.000 -0.009 0.000 0.967 275 F CB 1.503 40.497 39.000 -0.010 0.000 1.236 275 F HN 0.470 nan 8.300 nan 0.000 0.455 276 N N 3.708 121.877 118.700 -0.885 0.000 2.387 276 N HA 0.207 4.948 4.740 0.000 0.000 0.259 276 N C 0.109 175.150 175.510 -0.782 0.000 1.369 276 N CA -0.025 52.640 53.050 -0.641 0.000 0.867 276 N CB 1.655 39.961 38.487 -0.301 0.000 1.341 276 N HN 0.759 nan 8.380 nan 0.000 0.495 277 G N 0.336 108.238 108.800 -1.496 0.000 2.795 277 G HA2 0.473 4.433 3.960 0.000 0.000 0.267 277 G HA3 0.473 4.433 3.960 0.000 0.000 0.267 277 G C -0.115 174.669 174.900 -0.194 0.000 1.362 277 G CA -0.315 44.392 45.100 -0.656 0.000 1.048 277 G HN -0.068 nan 8.290 nan 0.000 0.547 278 K N -1.169 119.254 120.400 0.037 0.000 2.109 278 K HA 0.523 4.843 4.320 0.000 0.000 0.243 278 K C -0.794 175.943 176.600 0.230 0.000 1.006 278 K CA -0.624 55.733 56.287 0.117 0.000 0.917 278 K CB 1.961 34.500 32.500 0.064 0.000 1.081 278 K HN 0.118 nan 8.250 nan 0.000 0.468 279 V N 3.038 123.048 119.914 0.161 0.000 2.383 279 V HA 0.258 4.378 4.120 0.000 0.000 0.275 279 V C -0.218 175.929 176.094 0.088 0.000 1.036 279 V CA -0.588 61.786 62.300 0.124 0.000 0.889 279 V CB 0.495 32.374 31.823 0.094 0.000 0.985 279 V HN 0.477 nan 8.190 nan 0.000 0.459 280 L N 6.177 127.449 121.223 0.081 0.000 2.329 280 L HA 0.601 4.941 4.340 0.000 0.000 0.279 280 L C -0.511 176.394 176.870 0.057 0.000 1.014 280 L CA -0.556 54.322 54.840 0.063 0.000 0.814 280 L CB 1.945 44.041 42.059 0.061 0.000 1.257 280 L HN 0.494 nan 8.230 nan 0.000 0.424 281 L N 4.545 125.798 121.223 0.049 0.000 2.637 281 L HA 0.339 4.679 4.340 0.000 0.000 0.241 281 L C -2.005 174.890 176.870 0.043 0.000 1.398 281 L CA -1.327 53.542 54.840 0.049 0.000 0.895 281 L CB 0.703 42.789 42.059 0.045 0.000 1.183 281 L HN 0.441 nan 8.230 nan 0.000 0.497 282 P HA 0.048 nan 4.420 nan 0.000 0.274 282 P C -0.074 177.250 177.300 0.040 0.000 1.246 282 P CA -0.322 62.800 63.100 0.038 0.000 0.795 282 P CB 1.539 33.262 31.700 0.037 0.000 1.006 283 Q N 0.177 119.999 119.800 0.037 0.000 2.376 283 Q HA 0.043 4.383 4.340 0.000 0.000 0.206 283 Q C 0.275 176.302 176.000 0.045 0.000 0.921 283 Q CA 0.563 56.390 55.803 0.040 0.000 0.911 283 Q CB 0.292 29.051 28.738 0.034 0.000 1.032 283 Q HN 0.393 nan 8.270 nan 0.000 0.510 284 K N 1.246 121.671 120.400 0.042 0.000 2.109 284 K HA 0.358 4.678 4.320 0.000 0.000 0.243 284 K C -2.552 174.075 176.600 0.046 0.000 1.006 284 K CA -2.209 54.106 56.287 0.047 0.000 0.917 284 K CB 0.795 33.319 32.500 0.041 0.000 1.081 284 K HN -0.034 nan 8.250 nan 0.000 0.468 285 P HA -0.017 nan 4.420 nan 0.000 0.268 285 P C -1.140 176.184 177.300 0.039 0.000 1.205 285 P CA 0.122 63.252 63.100 0.050 0.000 0.771 285 P CB 0.521 32.263 31.700 0.071 0.000 0.858 286 Q N 2.401 122.220 119.800 0.031 0.000 2.347 286 Q HA 0.300 4.640 4.340 0.000 0.000 0.262 286 Q C -0.366 175.646 176.000 0.020 0.000 0.980 286 Q CA -0.574 55.244 55.803 0.025 0.000 0.867 286 Q CB 1.490 30.241 28.738 0.022 0.000 1.242 286 Q HN 0.398 nan 8.270 nan 0.000 0.453 287 Q N 0.509 120.321 119.800 0.020 0.000 2.293 287 Q HA 0.732 5.072 4.340 0.000 0.000 0.251 287 Q C 0.072 176.079 176.000 0.011 0.000 0.930 287 Q CA 0.181 55.994 55.803 0.017 0.000 0.893 287 Q CB 1.640 30.388 28.738 0.018 0.000 1.215 287 Q HN 0.826 nan 8.270 nan 0.000 0.425 288 G N 0.723 109.527 108.800 0.007 0.000 2.441 288 G HA2 0.338 4.298 3.960 0.000 0.000 0.294 288 G HA3 0.338 4.298 3.960 0.000 0.000 0.294 288 G C -1.810 173.089 174.900 -0.001 0.000 1.393 288 G CA -0.867 44.235 45.100 0.003 0.000 0.796 288 G HN 0.444 nan 8.290 nan 0.000 0.494 289 Q N -0.229 119.569 119.800 -0.003 0.000 2.288 289 Q HA 0.564 4.904 4.340 0.000 0.000 0.254 289 Q C -0.098 175.895 176.000 -0.012 0.000 0.932 289 Q CA -0.580 55.219 55.803 -0.006 0.000 0.902 289 Q CB 1.374 30.109 28.738 -0.005 0.000 1.203 289 Q HN 0.649 nan 8.270 nan 0.000 0.415 290 L N 5.424 126.639 121.223 -0.013 0.000 2.477 290 L HA 0.081 4.421 4.340 0.000 0.000 0.272 290 L C -0.363 176.494 176.870 -0.022 0.000 1.157 290 L CA 0.854 55.682 54.840 -0.020 0.000 0.889 290 L CB 0.185 42.233 42.059 -0.018 0.000 1.158 290 L HN 0.967 nan 8.230 nan 0.000 0.473 291 L N 5.049 126.255 121.223 -0.029 0.000 2.286 291 L HA 0.505 4.845 4.340 0.000 0.000 0.203 291 L C 0.773 177.623 176.870 -0.032 0.000 1.068 291 L CA 0.523 55.345 54.840 -0.030 0.000 0.811 291 L CB -0.385 41.654 42.059 -0.034 0.000 0.989 291 L HN 0.785 nan 8.230 nan 0.000 0.467 292 A N -0.201 122.596 122.820 -0.039 0.000 2.597 292 A HA 0.647 4.968 4.320 0.000 0.000 0.292 292 A C -1.452 176.110 177.584 -0.036 0.000 1.057 292 A CA -0.529 51.487 52.037 -0.034 0.000 0.674 292 A CB 1.813 20.790 19.000 -0.037 0.000 1.278 292 A HN -0.035 nan 8.150 nan 0.000 0.416 293 K N 0.288 120.675 120.400 -0.021 0.000 2.527 293 K HA 0.589 4.909 4.320 0.000 0.000 0.260 293 K C -1.869 174.745 176.600 0.024 0.000 0.937 293 K CA -0.562 55.715 56.287 -0.016 0.000 0.826 293 K CB 1.911 34.390 32.500 -0.035 0.000 1.359 293 K HN 1.064 nan 8.250 nan 0.000 0.434 294 H N 3.141 122.179 119.070 -0.054 0.000 2.538 294 H HA 0.498 5.055 4.556 0.000 0.000 0.353 294 H C -1.569 173.745 175.328 -0.023 0.000 1.109 294 H CA -0.498 55.531 56.048 -0.032 0.000 1.192 294 H CB 1.030 30.776 29.762 -0.027 0.000 1.555 294 H HN 0.405 nan 8.280 nan 0.000 0.518 295 L N 4.127 124.954 121.223 -0.660 0.000 2.329 295 L HA 0.393 4.733 4.340 0.000 0.000 0.279 295 L C 0.377 176.941 176.870 -0.510 0.000 1.014 295 L CA -0.984 53.604 54.840 -0.419 0.000 0.814 295 L CB 1.922 43.832 42.059 -0.248 0.000 1.257 295 L HN 0.814 nan 8.230 nan 0.000 0.424 296 S N 2.105 117.700 115.700 -0.174 0.000 2.617 296 S HA 0.263 4.733 4.470 0.000 0.000 0.259 296 S C 0.062 174.659 174.600 -0.004 0.000 1.301 296 S CA -0.724 57.475 58.200 -0.002 0.000 0.984 296 S CB 0.596 63.922 63.200 0.209 0.000 0.954 296 S HN 0.492 nan 8.310 nan 0.000 0.572 297 K N 1.703 122.144 120.400 0.069 0.000 2.440 297 K HA 0.192 4.512 4.320 0.000 0.000 0.270 297 K C -2.176 174.475 176.600 0.086 0.000 0.980 297 K CA -1.042 55.285 56.287 0.067 0.000 0.953 297 K CB -0.249 32.306 32.500 0.092 0.000 0.925 297 K HN 0.530 nan 8.250 nan 0.000 0.497 298 P HA -0.013 nan 4.420 nan 0.000 0.276 298 P C 0.701 178.092 177.300 0.152 0.000 1.261 298 P CA -0.440 62.708 63.100 0.080 0.000 0.800 298 P CB 0.546 32.278 31.700 0.054 0.000 1.066 299 L N 2.305 123.655 121.223 0.210 0.000 2.034 299 L HA -0.178 4.162 4.340 0.000 0.000 0.217 299 L C -0.933 176.035 176.870 0.164 0.000 1.077 299 L CA 2.963 57.943 54.840 0.233 0.000 0.769 299 L CB -2.433 39.761 42.059 0.225 0.000 0.890 299 L HN 0.360 nan 8.230 nan 0.000 0.435 300 P HA -0.110 nan 4.420 nan 0.000 0.218 300 P C 0.849 178.207 177.300 0.097 0.000 1.148 300 P CA 1.724 64.887 63.100 0.106 0.000 0.822 300 P CB -0.104 31.647 31.700 0.085 0.000 0.784 301 D N -0.842 119.617 120.400 0.099 0.000 2.117 301 D HA -0.101 4.540 4.640 0.000 0.000 0.198 301 D C 1.927 178.292 176.300 0.108 0.000 0.982 301 D CA 0.902 54.957 54.000 0.091 0.000 0.828 301 D CB -0.744 40.108 40.800 0.087 0.000 0.967 301 D HN 0.113 nan 8.370 nan 0.000 0.464 302 L N 0.207 121.518 121.223 0.147 0.000 2.056 302 L HA -0.113 4.227 4.340 0.000 0.000 0.207 302 L C 2.342 179.294 176.870 0.136 0.000 1.078 302 L CA 0.737 55.680 54.840 0.172 0.000 0.749 302 L CB -0.412 41.810 42.059 0.273 0.000 0.901 302 L HN 0.117 nan 8.230 nan 0.000 0.433 303 L N -0.066 121.232 121.223 0.126 0.000 2.046 303 L HA -0.249 4.092 4.340 0.000 0.000 0.208 303 L C 2.713 179.613 176.870 0.050 0.000 1.077 303 L CA 1.401 56.292 54.840 0.085 0.000 0.747 303 L CB -0.492 41.617 42.059 0.083 0.000 0.896 303 L HN 0.268 nan 8.230 nan 0.000 0.432 304 K N 0.750 121.185 120.400 0.058 0.000 2.057 304 K HA -0.255 4.065 4.320 0.000 0.000 0.207 304 K C 2.246 178.863 176.600 0.029 0.000 1.049 304 K CA 1.639 57.950 56.287 0.040 0.000 0.931 304 K CB 0.007 32.538 32.500 0.051 0.000 0.714 304 K HN 0.098 nan 8.250 nan 0.000 0.440 305 K N 0.552 120.980 120.400 0.046 0.000 2.097 305 K HA -0.143 4.177 4.320 0.000 0.000 0.205 305 K C 2.226 178.842 176.600 0.026 0.000 1.050 305 K CA 1.362 57.672 56.287 0.039 0.000 0.938 305 K CB -0.118 32.415 32.500 0.055 0.000 0.718 305 K HN 0.186 nan 8.250 nan 0.000 0.442 306 M N 0.236 119.856 119.600 0.035 0.000 2.073 306 M HA -0.226 4.255 4.480 0.000 0.000 0.258 306 M C 1.854 178.140 176.300 -0.024 0.000 1.070 306 M CA 1.691 57.003 55.300 0.019 0.000 1.103 306 M CB -0.005 32.620 32.600 0.041 0.000 1.321 306 M HN 0.212 nan 8.290 nan 0.000 0.405 307 M N -0.004 119.563 119.600 -0.055 0.000 2.156 307 M HA -0.118 4.363 4.480 0.000 0.000 0.264 307 M C 1.980 178.222 176.300 -0.096 0.000 1.067 307 M CA 1.353 56.575 55.300 -0.131 0.000 1.131 307 M CB -1.107 31.356 32.600 -0.229 0.000 1.368 307 M HN 0.205 nan 8.290 nan 0.000 0.416 308 K N 0.708 121.082 120.400 -0.044 0.000 2.057 308 K HA -0.071 4.250 4.320 0.000 0.000 0.206 308 K C 1.745 178.335 176.600 -0.016 0.000 1.050 308 K CA 1.149 57.426 56.287 -0.016 0.000 0.935 308 K CB -0.135 32.370 32.500 0.008 0.000 0.715 308 K HN 0.404 nan 8.250 nan 0.000 0.439 309 K N 0.009 120.400 120.400 -0.015 0.000 2.353 309 K HA 0.080 4.401 4.320 0.000 0.000 0.195 309 K C 0.114 176.698 176.600 -0.027 0.000 1.031 309 K CA -0.008 56.270 56.287 -0.015 0.000 1.079 309 K CB 0.652 33.150 32.500 -0.002 0.000 0.857 309 K HN -0.077 nan 8.250 nan 0.000 0.535 310 S N 2.528 118.207 115.700 -0.034 0.000 3.791 310 S HA -0.132 4.338 4.470 0.000 0.000 0.393 310 S C -0.601 173.981 174.600 -0.029 0.000 0.936 310 S CA 0.180 58.353 58.200 -0.045 0.000 1.234 310 S CB -1.255 61.906 63.200 -0.065 0.000 0.891 310 S HN 0.409 nan 8.310 nan 0.000 0.519 311 D N 1.450 121.846 120.400 -0.007 0.000 2.352 311 D HA 0.194 4.834 4.640 0.000 0.000 0.245 311 D C 1.370 177.684 176.300 0.023 0.000 1.224 311 D CA -0.391 53.618 54.000 0.015 0.000 0.879 311 D CB 0.289 41.108 40.800 0.032 0.000 1.057 311 D HN 0.473 nan 8.370 nan 0.000 0.491 312 N N 2.951 121.663 118.700 0.020 0.000 2.166 312 N HA -0.170 4.570 4.740 0.000 0.000 0.186 312 N C 1.397 176.945 175.510 0.064 0.000 1.019 312 N CA 1.069 54.130 53.050 0.019 0.000 0.856 312 N CB 0.141 38.616 38.487 -0.020 0.000 0.993 312 N HN 0.496 nan 8.380 nan 0.000 0.426 313 Q N 0.919 120.761 119.800 0.070 0.000 2.079 313 Q HA 0.083 4.424 4.340 0.000 0.000 0.200 313 Q C 2.194 178.256 176.000 0.104 0.000 0.974 313 Q CA 0.716 56.578 55.803 0.099 0.000 0.840 313 Q CB -0.290 28.493 28.738 0.074 0.000 0.898 313 Q HN 0.424 nan 8.270 nan 0.000 0.430 314 I N 0.176 120.799 120.570 0.089 0.000 2.226 314 I HA -0.312 3.858 4.170 0.000 0.000 0.245 314 I C 2.175 178.387 176.117 0.158 0.000 1.100 314 I CA 1.039 62.411 61.300 0.121 0.000 1.374 314 I CB -0.505 37.564 38.000 0.115 0.000 1.057 314 I HN 0.193 nan 8.210 nan 0.000 0.413 315 A N 0.619 123.510 122.820 0.119 0.000 1.865 315 A HA -0.254 4.066 4.320 0.000 0.000 0.217 315 A C 2.002 179.675 177.584 0.149 0.000 1.191 315 A CA 2.218 54.326 52.037 0.119 0.000 0.623 315 A CB -0.627 18.409 19.000 0.060 0.000 0.826 315 A HN 0.353 nan 8.150 nan 0.000 0.444 316 D N -0.455 120.031 120.400 0.143 0.000 2.183 316 D HA -0.030 4.610 4.640 0.000 0.000 0.203 316 D C 2.280 178.633 176.300 0.088 0.000 0.969 316 D CA 1.246 55.325 54.000 0.131 0.000 0.842 316 D CB -0.199 40.782 40.800 0.302 0.000 0.957 316 D HN 0.374 nan 8.370 nan 0.000 0.484 317 S N 0.594 116.401 115.700 0.177 0.000 2.356 317 S HA -0.083 4.387 4.470 0.000 0.000 0.223 317 S C 2.210 177.092 174.600 0.470 0.000 1.032 317 S CA 0.584 58.972 58.200 0.315 0.000 1.005 317 S CB -0.220 63.120 63.200 0.233 0.000 0.867 317 S HN 0.245 nan 8.310 nan 0.000 0.449 318 L N -0.004 121.470 121.223 0.419 0.000 2.046 318 L HA -0.122 4.219 4.340 0.000 0.000 0.208 318 L C 2.251 179.234 176.870 0.189 0.000 1.077 318 L CA 1.304 56.328 54.840 0.307 0.000 0.747 318 L CB -0.535 41.658 42.059 0.223 0.000 0.896 318 L HN 0.255 nan 8.230 nan 0.000 0.432 319 F N 0.927 120.877 119.950 0.001 0.000 2.091 319 F HA -0.264 4.264 4.527 0.000 0.000 0.299 319 F C 2.687 178.405 175.800 -0.137 0.000 1.103 319 F CA 1.732 59.683 58.000 -0.082 0.000 1.228 319 F CB -0.159 38.770 39.000 -0.118 0.000 0.984 319 F HN -0.102 nan 8.300 nan 0.000 0.477 320 R N -0.499 119.931 120.500 -0.118 0.000 2.161 320 R HA 0.098 4.438 4.340 0.000 0.000 0.213 320 R C 2.327 178.697 176.300 0.118 0.000 1.055 320 R CA 0.738 56.687 56.100 -0.252 0.000 0.996 320 R CB -0.531 29.285 30.300 -0.807 0.000 0.901 320 R HN 0.352 nan 8.270 nan 0.000 0.456 321 A N 0.837 123.823 122.820 0.277 0.000 1.969 321 A HA -0.072 4.248 4.320 0.000 0.000 0.218 321 A C 2.264 179.885 177.584 0.061 0.000 1.169 321 A CA 0.942 53.157 52.037 0.298 0.000 0.635 321 A CB -0.361 18.747 19.000 0.180 0.000 0.810 321 A HN 0.060 nan 8.150 nan 0.000 0.445 322 V N 0.020 119.887 119.914 -0.079 0.000 2.233 322 V HA -0.320 3.801 4.120 0.000 0.000 0.247 322 V C 3.093 179.122 176.094 -0.108 0.000 1.050 322 V CA 2.209 64.410 62.300 -0.165 0.000 1.010 322 V CB -1.275 30.411 31.823 -0.227 0.000 0.637 322 V HN 0.615 nan 8.190 nan 0.000 0.444 323 A N -0.757 122.003 122.820 -0.100 0.000 1.908 323 A HA -0.262 4.058 4.320 0.000 0.000 0.218 323 A C 2.117 179.804 177.584 0.172 0.000 1.181 323 A CA 2.148 54.202 52.037 0.028 0.000 0.627 323 A CB -0.762 18.258 19.000 0.034 0.000 0.818 323 A HN 0.557 nan 8.150 nan 0.000 0.445 324 F N 1.442 121.448 119.950 0.092 0.000 2.134 324 F HA -0.194 4.333 4.527 0.000 0.000 0.299 324 F C 1.781 177.640 175.800 0.099 0.000 1.097 324 F CA 2.170 60.253 58.000 0.139 0.000 1.264 324 F CB -0.521 38.596 39.000 0.195 0.000 1.001 324 F HN 0.311 nan 8.300 nan 0.000 0.479 325 N N -1.750 116.966 118.700 0.025 0.000 2.300 325 N HA -0.156 4.584 4.740 0.000 0.000 0.179 325 N C 1.562 177.015 175.510 -0.095 0.000 1.016 325 N CA 1.036 54.037 53.050 -0.082 0.000 0.876 325 N CB -0.425 38.084 38.487 0.036 0.000 0.979 325 N HN 0.345 nan 8.380 nan 0.000 0.432 326 Y N -0.380 119.764 120.300 -0.260 0.000 2.243 326 Y HA -0.073 4.477 4.550 0.000 0.000 0.293 326 Y C 0.888 176.546 175.900 -0.403 0.000 1.124 326 Y CA 1.334 59.200 58.100 -0.391 0.000 1.159 326 Y CB 0.008 38.116 38.460 -0.587 0.000 1.008 326 Y HN 0.077 nan 8.280 nan 0.000 0.527 327 Y N -0.003 120.252 120.300 -0.075 0.000 2.449 327 Y HA 0.213 4.763 4.550 0.001 0.000 0.254 327 Y C 0.450 176.241 175.900 -0.183 0.000 1.140 327 Y CA -0.377 57.637 58.100 -0.144 0.000 1.272 327 Y CB 0.161 38.591 38.460 -0.050 0.000 1.114 327 Y HN -0.173 nan 8.280 nan 0.000 0.525 328 K N 1.253 121.555 120.400 -0.163 0.000 3.096 328 K HA -0.225 4.095 4.320 0.000 0.000 0.266 328 K C -0.336 176.140 176.600 -0.207 0.000 1.043 328 K CA 0.809 56.912 56.287 -0.306 0.000 0.758 328 K CB -1.964 30.429 32.500 -0.179 0.000 1.260 328 K HN 0.715 nan 8.250 nan 0.000 0.481 329 R N -2.541 117.875 120.500 -0.139 0.000 2.710 329 R HA 0.545 4.885 4.340 0.000 0.000 0.270 329 R C -3.215 173.274 176.300 0.315 0.000 1.021 329 R CA -2.092 54.049 56.100 0.069 0.000 0.889 329 R CB 1.306 31.644 30.300 0.063 0.000 1.243 329 R HN -0.300 nan 8.270 nan 0.000 0.464 330 P HA 0.044 nan 4.420 nan 0.000 0.265 330 P C -1.039 176.446 177.300 0.308 0.000 1.193 330 P CA 0.256 63.598 63.100 0.403 0.000 0.765 330 P CB 0.838 32.680 31.700 0.236 0.000 0.823 331 A N 2.747 125.772 122.820 0.342 0.000 2.288 331 A HA 0.578 4.899 4.320 0.000 0.000 0.320 331 A C 0.337 177.965 177.584 0.074 0.000 1.217 331 A CA -0.255 51.903 52.037 0.202 0.000 0.840 331 A CB 0.394 19.520 19.000 0.211 0.000 1.179 331 A HN 0.529 nan 8.150 nan 0.000 0.504 332 S N 1.378 117.103 115.700 0.041 0.000 2.730 332 S HA 0.594 5.064 4.470 0.000 0.000 0.284 332 S C 0.571 175.186 174.600 0.024 0.000 1.153 332 S CA -0.430 57.800 58.200 0.049 0.000 0.995 332 S CB 0.229 63.475 63.200 0.076 0.000 1.058 332 S HN 0.465 nan 8.310 nan 0.000 0.552 333 F N 0.848 120.804 119.950 0.009 0.000 2.202 333 F HA -0.102 4.425 4.527 0.000 0.000 0.301 333 F C 2.693 178.572 175.800 0.131 0.000 1.082 333 F CA 1.372 59.457 58.000 0.141 0.000 1.313 333 F CB -0.378 38.672 39.000 0.084 0.000 1.024 333 F HN 0.491 nan 8.300 nan 0.000 0.495 334 Q N -0.237 119.689 119.800 0.210 0.000 2.084 334 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 334 Q C 2.148 178.160 176.000 0.020 0.000 0.978 334 Q CA 1.105 56.971 55.803 0.106 0.000 0.844 334 Q CB -0.671 28.102 28.738 0.059 0.000 0.898 334 Q HN 0.378 nan 8.270 nan 0.000 0.426 335 L N -0.151 121.067 121.223 -0.010 0.000 2.156 335 L HA 0.028 4.369 4.340 0.000 0.000 0.208 335 L C 1.919 178.731 176.870 -0.096 0.000 1.095 335 L CA 1.804 56.627 54.840 -0.029 0.000 0.770 335 L CB -0.902 41.166 42.059 0.015 0.000 0.914 335 L HN 0.273 nan 8.230 nan 0.000 0.439 336 G N -1.586 107.021 108.800 -0.321 0.000 2.476 336 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 336 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 336 G C 1.471 175.788 174.900 -0.971 0.000 1.164 336 G CA 1.377 45.861 45.100 -1.028 0.000 0.768 336 G HN 0.404 nan 8.290 nan 0.000 0.560 337 T N 0.874 115.235 114.554 -0.322 0.000 2.746 337 T HA -0.112 4.239 4.350 0.000 0.000 0.267 337 T C 2.263 176.887 174.700 -0.126 0.000 1.039 337 T CA 1.203 63.289 62.100 -0.024 0.000 1.142 337 T CB -0.232 68.706 68.868 0.116 0.000 0.866 337 T HN 0.123 nan 8.240 nan 0.000 0.444 338 L N 1.085 122.269 121.223 -0.065 0.000 2.083 338 L HA 0.080 4.420 4.340 0.000 0.000 0.209 338 L C 2.553 179.479 176.870 0.092 0.000 1.083 338 L CA 1.695 56.544 54.840 0.014 0.000 0.752 338 L CB -0.844 41.232 42.059 0.028 0.000 0.899 338 L HN 0.222 nan 8.230 nan 0.000 0.433 339 A N -1.375 121.495 122.820 0.083 0.000 1.873 339 A HA -0.116 4.204 4.320 0.000 0.000 0.215 339 A C 2.235 179.598 177.584 -0.370 0.000 1.186 339 A CA 1.820 53.752 52.037 -0.174 0.000 0.616 339 A CB -1.037 17.782 19.000 -0.302 0.000 0.823 339 A HN 0.249 nan 8.150 nan 0.000 0.442 340 V N 0.250 119.965 119.914 -0.331 0.000 2.407 340 V HA -0.258 3.862 4.120 0.000 0.000 0.248 340 V C 2.455 178.402 176.094 -0.246 0.000 1.055 340 V CA 2.323 64.468 62.300 -0.259 0.000 1.049 340 V CB -0.643 31.108 31.823 -0.120 0.000 0.662 340 V HN 0.524 nan 8.190 nan 0.000 0.455 341 K N -0.231 119.978 120.400 -0.318 0.000 2.057 341 K HA -0.134 4.186 4.320 0.000 0.000 0.206 341 K C 2.517 179.070 176.600 -0.078 0.000 1.050 341 K CA 1.533 57.594 56.287 -0.377 0.000 0.935 341 K CB -0.343 31.868 32.500 -0.481 0.000 0.715 341 K HN 0.406 nan 8.250 nan 0.000 0.439 342 S N 1.152 116.813 115.700 -0.064 0.000 2.368 342 S HA -0.106 4.364 4.470 0.000 0.000 0.225 342 S C 1.957 176.540 174.600 -0.028 0.000 1.030 342 S CA 0.945 59.165 58.200 0.033 0.000 0.999 342 S CB -0.192 63.113 63.200 0.175 0.000 0.844 342 S HN 0.182 nan 8.310 nan 0.000 0.459 343 I N 1.133 121.569 120.570 -0.223 0.000 2.226 343 I HA -0.150 4.020 4.170 0.000 0.000 0.245 343 I C 2.182 178.240 176.117 -0.099 0.000 1.100 343 I CA 1.120 62.275 61.300 -0.241 0.000 1.374 343 I CB -0.266 37.472 38.000 -0.437 0.000 1.057 343 I HN 0.307 nan 8.210 nan 0.000 0.413 344 L N -0.335 120.867 121.223 -0.034 0.000 2.179 344 L HA -0.150 4.190 4.340 0.000 0.000 0.208 344 L C 2.570 179.447 176.870 0.011 0.000 1.096 344 L CA 1.023 55.863 54.840 -0.000 0.000 0.779 344 L CB -0.519 41.650 42.059 0.183 0.000 0.922 344 L HN 0.281 nan 8.230 nan 0.000 0.443 345 Q N 0.294 120.165 119.800 0.119 0.000 2.096 345 Q HA -0.241 4.099 4.340 0.000 0.000 0.204 345 Q C 2.135 178.154 176.000 0.030 0.000 0.982 345 Q CA 1.557 57.412 55.803 0.087 0.000 0.850 345 Q CB -0.033 28.784 28.738 0.131 0.000 0.901 345 Q HN 0.379 nan 8.270 nan 0.000 0.422 346 K N 0.105 120.522 120.400 0.029 0.000 2.211 346 K HA -0.140 4.180 4.320 0.000 0.000 0.204 346 K C 1.715 178.323 176.600 0.013 0.000 1.047 346 K CA 0.843 57.148 56.287 0.030 0.000 0.935 346 K CB 0.175 32.703 32.500 0.045 0.000 0.728 346 K HN 0.171 nan 8.250 nan 0.000 0.452 347 Q N -0.915 118.862 119.800 -0.038 0.000 2.403 347 Q HA 0.070 4.410 4.340 0.000 0.000 0.203 347 Q C 1.023 177.001 176.000 -0.036 0.000 0.932 347 Q CA 0.802 56.572 55.803 -0.054 0.000 0.945 347 Q CB 1.307 29.857 28.738 -0.313 0.000 1.045 347 Q HN 0.529 nan 8.270 nan 0.000 0.511 348 G N 0.584 109.364 108.800 -0.033 0.000 2.179 348 G HA2 -0.190 3.770 3.960 0.000 0.000 0.220 348 G HA3 -0.190 3.770 3.960 0.000 0.000 0.220 348 G C 0.171 175.029 174.900 -0.071 0.000 0.990 348 G CA -0.371 44.717 45.100 -0.021 0.000 0.646 348 G HN 0.233 nan 8.290 nan 0.000 0.517 349 I N 1.298 121.781 120.570 -0.145 0.000 2.529 349 I HA 0.390 4.560 4.170 0.000 0.000 0.284 349 I C 0.897 176.812 176.117 -0.336 0.000 1.082 349 I CA -0.095 61.041 61.300 -0.275 0.000 1.406 349 I CB 0.777 38.536 38.000 -0.401 0.000 1.405 349 I HN 0.123 nan 8.210 nan 0.000 0.548 350 R N 5.002 125.276 120.500 -0.377 0.000 2.494 350 R HA 0.389 4.729 4.340 0.000 0.000 0.305 350 R C -0.410 175.669 176.300 -0.369 0.000 0.959 350 R CA -0.442 55.515 56.100 -0.238 0.000 0.864 350 R CB 1.550 31.798 30.300 -0.088 0.000 1.159 350 R HN 0.412 nan 8.270 nan 0.000 0.446 351 F N 0.653 120.611 119.950 0.014 0.000 2.724 351 F HA 0.201 4.728 4.527 0.000 0.000 0.306 351 F C 1.759 177.609 175.800 0.084 0.000 1.100 351 F CA 0.631 58.642 58.000 0.017 0.000 1.255 351 F CB 0.437 39.406 39.000 -0.052 0.000 1.072 351 F HN 0.959 nan 8.300 nan 0.000 0.589 352 G N 1.520 110.457 108.800 0.228 0.000 2.634 352 G HA2 -0.420 3.541 3.960 0.000 0.000 0.309 352 G HA3 -0.420 3.541 3.960 0.000 0.000 0.309 352 G C 0.492 175.524 174.900 0.220 0.000 1.265 352 G CA 0.738 45.963 45.100 0.208 0.000 0.998 352 G HN 0.416 nan 8.290 nan 0.000 0.551 353 N N 0.949 119.820 118.700 0.285 0.000 2.376 353 N HA 0.436 5.176 4.740 0.000 0.000 0.249 353 N C 0.135 175.649 175.510 0.006 0.000 1.140 353 N CA 0.236 53.395 53.050 0.183 0.000 0.870 353 N CB 0.629 39.248 38.487 0.221 0.000 1.124 353 N HN 0.439 nan 8.380 nan 0.000 0.505 354 S N 0.823 116.538 115.700 0.025 0.000 2.566 354 S HA 0.106 4.576 4.470 0.000 0.000 0.280 354 S C 0.158 174.607 174.600 -0.252 0.000 1.343 354 S CA 0.088 58.116 58.200 -0.287 0.000 1.036 354 S CB 0.782 64.027 63.200 0.075 0.000 0.866 354 S HN 0.151 nan 8.310 nan 0.000 0.526 355 I N 2.829 123.218 120.570 -0.301 0.000 2.382 355 I HA 0.325 4.495 4.170 0.000 0.000 0.286 355 I C -0.903 175.157 176.117 -0.094 0.000 1.002 355 I CA -0.502 60.696 61.300 -0.169 0.000 1.135 355 I CB 1.075 38.984 38.000 -0.151 0.000 1.288 355 I HN 0.387 nan 8.210 nan 0.000 0.448 356 L N 6.013 127.191 121.223 -0.075 0.000 2.387 356 L HA 0.449 4.789 4.340 0.000 0.000 0.259 356 L C 1.087 178.005 176.870 0.080 0.000 1.050 356 L CA 0.126 54.959 54.840 -0.013 0.000 0.922 356 L CB 1.397 43.396 42.059 -0.100 0.000 1.280 356 L HN 0.707 nan 8.230 nan 0.000 0.449 357 A N 1.295 124.164 122.820 0.082 0.000 2.178 357 A HA 0.270 4.591 4.320 0.000 0.000 0.211 357 A C 0.271 177.949 177.584 0.156 0.000 1.157 357 A CA 0.829 52.947 52.037 0.135 0.000 0.780 357 A CB -0.412 18.659 19.000 0.120 0.000 0.828 357 A HN 0.640 nan 8.150 nan 0.000 0.476 358 D N -4.968 115.385 120.400 -0.078 0.000 2.692 358 D HA 0.403 5.043 4.640 0.000 0.000 0.303 358 D C 0.749 176.370 176.300 -1.132 0.000 1.278 358 D CA 0.123 53.826 54.000 -0.494 0.000 0.852 358 D CB 0.441 41.362 40.800 0.202 0.000 1.375 358 D HN -0.103 nan 8.370 nan 0.000 0.453 359 G N -1.034 106.899 108.800 -1.446 0.000 2.539 359 G HA2 -0.024 3.936 3.960 0.000 0.000 0.215 359 G HA3 -0.024 3.936 3.960 0.000 0.000 0.215 359 G C 1.104 175.906 174.900 -0.163 0.000 1.141 359 G CA 0.853 45.569 45.100 -0.640 0.000 0.806 359 G HN 0.549 nan 8.290 nan 0.000 0.533 360 S N -0.689 114.953 115.700 -0.096 0.000 2.470 360 S HA 0.330 4.800 4.470 0.000 0.000 0.225 360 S C 1.970 176.531 174.600 -0.063 0.000 1.006 360 S CA 1.134 59.310 58.200 -0.040 0.000 0.934 360 S CB -0.029 63.155 63.200 -0.027 0.000 0.778 360 S HN 1.428 nan 8.310 nan 0.000 0.517 361 G N 1.032 109.799 108.800 -0.055 0.000 2.175 361 G HA2 -0.233 3.727 3.960 0.000 0.000 0.244 361 G HA3 -0.233 3.727 3.960 0.000 0.000 0.244 361 G C 0.575 175.404 174.900 -0.117 0.000 0.982 361 G CA 0.359 45.419 45.100 -0.066 0.000 0.641 361 G HN 0.485 nan 8.290 nan 0.000 0.527 362 L N 0.941 122.053 121.223 -0.185 0.000 2.156 362 L HA 0.165 4.506 4.340 0.000 0.000 0.208 362 L C 2.080 178.798 176.870 -0.254 0.000 1.095 362 L CA 1.093 55.702 54.840 -0.385 0.000 0.770 362 L CB -0.230 41.234 42.059 -0.992 0.000 0.914 362 L HN 0.378 nan 8.230 nan 0.000 0.439 363 S N -0.076 115.628 115.700 0.007 0.000 2.549 363 S HA 0.028 4.498 4.470 0.000 0.000 0.283 363 S C 1.276 175.867 174.600 -0.015 0.000 1.320 363 S CA -0.501 57.785 58.200 0.144 0.000 1.058 363 S CB 0.588 63.916 63.200 0.214 0.000 0.882 363 S HN 0.152 nan 8.310 nan 0.000 0.498 364 R N 2.603 123.050 120.500 -0.088 0.000 2.313 364 R HA 0.043 4.383 4.340 0.000 0.000 0.199 364 R C 0.877 177.139 176.300 -0.063 0.000 0.958 364 R CA 0.692 56.729 56.100 -0.105 0.000 1.047 364 R CB -0.545 29.678 30.300 -0.128 0.000 0.955 364 R HN 0.776 nan 8.270 nan 0.000 0.481 365 H N -0.649 118.427 119.070 0.011 0.000 2.551 365 H HA 0.125 4.681 4.556 0.000 0.000 0.266 365 H C 0.170 175.476 175.328 -0.037 0.000 0.964 365 H CA -0.530 55.510 56.048 -0.013 0.000 1.180 365 H CB 0.388 30.143 29.762 -0.012 0.000 1.408 365 H HN -0.008 nan 8.280 nan 0.000 0.563 366 N N 1.560 120.307 118.700 0.079 0.000 2.407 366 N HA 0.056 4.796 4.740 0.000 0.000 0.250 366 N C -0.700 174.790 175.510 -0.034 0.000 1.236 366 N CA 0.681 53.740 53.050 0.015 0.000 0.879 366 N CB 0.938 39.428 38.487 0.005 0.000 1.088 366 N HN 0.236 nan 8.380 nan 0.000 0.450 367 L N 1.975 123.138 121.223 -0.101 0.000 2.541 367 L HA 0.401 4.741 4.340 0.000 0.000 0.266 367 L C -1.160 175.604 176.870 -0.176 0.000 0.966 367 L CA -0.600 54.130 54.840 -0.184 0.000 0.871 367 L CB 1.855 43.635 42.059 -0.465 0.000 1.232 367 L HN 0.091 nan 8.230 nan 0.000 0.408 368 V N 2.021 122.020 119.914 0.140 0.000 2.808 368 V HA 0.686 4.806 4.120 0.000 0.000 0.308 368 V C -0.009 176.465 176.094 0.633 0.000 1.099 368 V CA -0.585 61.958 62.300 0.406 0.000 0.920 368 V CB 2.112 34.204 31.823 0.448 0.000 1.014 368 V HN 0.765 nan 8.190 nan 0.000 0.425 369 A N 5.647 128.870 122.820 0.672 0.000 2.316 369 A HA 0.723 5.043 4.320 0.000 0.000 0.284 369 A C -1.710 176.093 177.584 0.365 0.000 1.115 369 A CA -1.401 50.924 52.037 0.481 0.000 0.812 369 A CB 0.587 19.736 19.000 0.248 0.000 1.064 369 A HN 0.663 nan 8.150 nan 0.000 0.489 370 P HA -0.253 nan 4.420 nan 0.000 0.216 370 P C 1.245 178.508 177.300 -0.062 0.000 1.154 370 P CA 2.232 65.214 63.100 -0.197 0.000 0.865 370 P CB 0.054 31.621 31.700 -0.221 0.000 0.789 371 K N -1.482 118.926 120.400 0.013 0.000 2.211 371 K HA -0.049 4.271 4.320 0.000 0.000 0.203 371 K C 1.581 178.208 176.600 0.046 0.000 1.050 371 K CA 1.603 57.898 56.287 0.012 0.000 0.945 371 K CB -1.296 31.211 32.500 0.011 0.000 0.732 371 K HN 0.035 nan 8.250 nan 0.000 0.451 372 T N 1.482 116.104 114.554 0.114 0.000 2.777 372 T HA -0.117 4.233 4.350 0.000 0.000 0.266 372 T C 1.699 176.529 174.700 0.217 0.000 1.040 372 T CA 1.512 63.697 62.100 0.142 0.000 1.141 372 T CB -0.190 68.821 68.868 0.238 0.000 0.868 372 T HN 0.220 nan 8.240 nan 0.000 0.444 373 M N 1.344 121.098 119.600 0.255 0.000 2.108 373 M HA 0.016 4.496 4.480 0.000 0.000 0.261 373 M C 1.950 178.260 176.300 0.017 0.000 1.066 373 M CA 1.291 56.678 55.300 0.144 0.000 1.107 373 M CB -0.753 31.890 32.600 0.071 0.000 1.356 373 M HN 0.201 nan 8.290 nan 0.000 0.406 374 L N -0.216 120.990 121.223 -0.029 0.000 2.079 374 L HA -0.166 4.174 4.340 0.000 0.000 0.210 374 L C 2.476 179.348 176.870 0.004 0.000 1.081 374 L CA 2.355 57.158 54.840 -0.062 0.000 0.752 374 L CB -1.008 41.016 42.059 -0.059 0.000 0.896 374 L HN 0.633 nan 8.230 nan 0.000 0.433 375 S N -1.952 113.771 115.700 0.038 0.000 2.402 375 S HA -0.136 4.334 4.470 0.000 0.000 0.229 375 S C 1.874 176.541 174.600 0.111 0.000 1.021 375 S CA 1.265 59.497 58.200 0.054 0.000 0.974 375 S CB -1.079 62.128 63.200 0.010 0.000 0.800 375 S HN 0.259 nan 8.310 nan 0.000 0.484 376 V N 2.084 122.081 119.914 0.138 0.000 2.427 376 V HA -0.044 4.077 4.120 0.000 0.000 0.248 376 V C 2.532 178.768 176.094 0.236 0.000 1.051 376 V CA 1.493 63.919 62.300 0.209 0.000 1.048 376 V CB -0.852 31.138 31.823 0.279 0.000 0.666 376 V HN 0.469 nan 8.190 nan 0.000 0.456 377 L N -0.336 120.965 121.223 0.129 0.000 2.083 377 L HA -0.179 4.161 4.340 0.000 0.000 0.209 377 L C 2.562 179.604 176.870 0.287 0.000 1.083 377 L CA 1.643 56.564 54.840 0.135 0.000 0.752 377 L CB -0.609 41.265 42.059 -0.308 0.000 0.899 377 L HN 0.379 nan 8.230 nan 0.000 0.433 378 E N -0.761 119.547 120.200 0.182 0.000 2.106 378 E HA -0.256 4.094 4.350 0.000 0.000 0.192 378 E C 2.015 178.717 176.600 0.169 0.000 0.984 378 E CA 1.220 57.722 56.400 0.172 0.000 0.806 378 E CB -0.128 29.639 29.700 0.113 0.000 0.750 378 E HN 0.444 nan 8.360 nan 0.000 0.458 379 Y N 1.165 121.516 120.300 0.086 0.000 2.181 379 Y HA -0.192 4.358 4.550 0.001 0.000 0.288 379 Y C 1.939 177.881 175.900 0.070 0.000 1.146 379 Y CA 1.354 59.494 58.100 0.068 0.000 1.164 379 Y CB -0.028 38.475 38.460 0.072 0.000 0.982 379 Y HN -0.052 nan 8.280 nan 0.000 0.515 380 I N -0.128 120.571 120.570 0.216 0.000 2.252 380 I HA -0.310 3.860 4.170 0.000 0.000 0.245 380 I C 2.641 178.708 176.117 -0.083 0.000 1.102 380 I CA 1.148 62.522 61.300 0.123 0.000 1.385 380 I CB -0.643 37.560 38.000 0.337 0.000 1.064 380 I HN 0.345 nan 8.210 nan 0.000 0.414 381 A N 0.618 123.387 122.820 -0.084 0.000 1.877 381 A HA -0.263 4.057 4.320 0.000 0.000 0.216 381 A C 2.260 179.728 177.584 -0.194 0.000 1.186 381 A CA 1.948 53.830 52.037 -0.259 0.000 0.620 381 A CB -0.443 18.447 19.000 -0.183 0.000 0.822 381 A HN 0.229 nan 8.150 nan 0.000 0.443 382 K N 0.556 120.860 120.400 -0.159 0.000 2.148 382 K HA -0.037 4.283 4.320 0.000 0.000 0.204 382 K C 0.745 177.206 176.600 -0.233 0.000 1.050 382 K CA 1.578 57.762 56.287 -0.171 0.000 0.942 382 K CB -0.150 32.258 32.500 -0.154 0.000 0.724 382 K HN 0.501 nan 8.250 nan 0.000 0.446 383 N N 0.641 119.141 118.700 -0.333 0.000 2.273 383 N HA -0.034 4.706 4.740 0.000 0.000 0.231 383 N C 0.442 175.789 175.510 -0.271 0.000 1.134 383 N CA 0.098 52.944 53.050 -0.340 0.000 0.856 383 N CB 0.851 39.008 38.487 -0.551 0.000 1.068 383 N HN 0.236 nan 8.380 nan 0.000 0.510 384 E N 1.978 122.036 120.200 -0.236 0.000 2.118 384 E HA -0.210 4.140 4.350 0.000 0.000 0.195 384 E C 1.306 177.726 176.600 -0.300 0.000 0.992 384 E CA 1.458 57.724 56.400 -0.224 0.000 0.804 384 E CB -0.130 29.456 29.700 -0.190 0.000 0.741 384 E HN 0.206 nan 8.360 nan 0.000 0.458 385 D N -0.797 119.465 120.400 -0.230 0.000 2.149 385 D HA -0.170 4.470 4.640 0.000 0.000 0.198 385 D C 1.469 177.540 176.300 -0.381 0.000 0.990 385 D CA 1.427 55.302 54.000 -0.208 0.000 0.839 385 D CB 0.188 40.927 40.800 -0.101 0.000 0.948 385 D HN 0.054 nan 8.370 nan 0.000 0.460 386 K N -0.325 119.864 120.400 -0.352 0.000 2.128 386 K HA 0.094 4.414 4.320 0.000 0.000 0.202 386 K C 2.311 178.647 176.600 -0.440 0.000 1.050 386 K CA 0.322 56.419 56.287 -0.318 0.000 0.966 386 K CB -0.366 32.051 32.500 -0.139 0.000 0.759 386 K HN 0.282 nan 8.250 nan 0.000 0.454 387 L N 0.416 121.425 121.223 -0.357 0.000 2.179 387 L HA -0.004 4.336 4.340 0.000 0.000 0.208 387 L C 0.084 176.902 176.870 -0.087 0.000 1.096 387 L CA 0.460 55.209 54.840 -0.151 0.000 0.779 387 L CB -0.634 41.395 42.059 -0.051 0.000 0.922 387 L HN 0.362 nan 8.230 nan 0.000 0.443 388 H N -0.730 118.353 119.070 0.021 0.000 2.741 388 H HA -0.174 4.382 4.556 0.000 0.000 0.305 388 H C 1.208 176.575 175.328 0.064 0.000 1.169 388 H CA 0.595 56.660 56.048 0.029 0.000 1.144 388 H CB -1.796 27.985 29.762 0.031 0.000 1.397 388 H HN 0.355 nan 8.280 nan 0.000 0.409 389 L N -0.688 120.622 121.223 0.145 0.000 2.446 389 L HA -0.027 4.313 4.340 0.000 0.000 0.219 389 L C 2.448 179.502 176.870 0.307 0.000 1.116 389 L CA 0.108 55.076 54.840 0.213 0.000 0.844 389 L CB -0.127 42.075 42.059 0.238 0.000 0.970 389 L HN 0.167 nan 8.230 nan 0.000 0.457 390 M N 0.220 119.929 119.600 0.182 0.000 2.149 390 M HA -0.220 4.261 4.480 0.000 0.000 0.261 390 M C 2.056 178.509 176.300 0.255 0.000 1.064 390 M CA 1.672 57.054 55.300 0.137 0.000 1.102 390 M CB -0.871 31.662 32.600 -0.111 0.000 1.369 390 M HN 0.391 nan 8.290 nan 0.000 0.408 391 E N -0.311 119.996 120.200 0.178 0.000 2.516 391 E HA -0.090 4.260 4.350 0.000 0.000 0.199 391 E C 1.338 178.036 176.600 0.164 0.000 1.069 391 E CA 1.394 57.883 56.400 0.149 0.000 0.876 391 E CB -0.563 29.196 29.700 0.099 0.000 0.843 391 E HN 0.582 nan 8.360 nan 0.000 0.530 392 T N -1.631 113.042 114.554 0.200 0.000 3.067 392 T HA 0.049 4.399 4.350 0.000 0.000 0.257 392 T C 0.450 175.174 174.700 0.040 0.000 1.105 392 T CA -0.353 61.796 62.100 0.082 0.000 1.104 392 T CB -0.514 68.355 68.868 0.002 0.000 0.925 392 T HN 0.065 nan 8.240 nan 0.000 0.498 393 F N 2.892 122.886 119.950 0.072 0.000 2.484 393 F HA 0.371 4.898 4.527 0.000 0.000 0.360 393 F C -2.051 173.783 175.800 0.056 0.000 1.101 393 F CA -2.585 55.459 58.000 0.073 0.000 1.251 393 F CB 0.191 39.260 39.000 0.114 0.000 1.132 393 F HN -0.049 nan 8.300 nan 0.000 0.570 394 P HA 0.037 nan 4.420 nan 0.000 0.266 394 P C -0.629 176.757 177.300 0.143 0.000 1.193 394 P CA 0.461 63.632 63.100 0.119 0.000 0.770 394 P CB 0.473 32.223 31.700 0.084 0.000 0.836 395 I N 1.515 122.142 120.570 0.094 0.000 2.436 395 I HA 0.386 4.556 4.170 0.000 0.000 0.289 395 I C 0.285 176.430 176.117 0.047 0.000 1.010 395 I CA -1.114 60.235 61.300 0.082 0.000 1.098 395 I CB 1.757 39.799 38.000 0.069 0.000 1.266 395 I HN 0.290 nan 8.210 nan 0.000 0.434 396 A N 4.547 127.387 122.820 0.033 0.000 2.566 396 A HA 0.385 4.705 4.320 0.000 0.000 0.245 396 A C 1.356 178.940 177.584 -0.002 0.000 1.056 396 A CA 0.834 52.873 52.037 0.003 0.000 0.757 396 A CB -0.555 18.430 19.000 -0.025 0.000 0.979 396 A HN 1.350 nan 8.150 nan 0.000 0.508 397 G N 0.998 109.795 108.800 -0.006 0.000 2.155 397 G HA2 -0.221 3.739 3.960 0.000 0.000 0.257 397 G HA3 -0.221 3.739 3.960 0.000 0.000 0.257 397 G C 0.586 175.486 174.900 -0.000 0.000 0.983 397 G CA 0.747 45.843 45.100 -0.008 0.000 0.676 397 G HN 1.383 nan 8.290 nan 0.000 0.528 398 V N -0.379 119.540 119.914 0.008 0.000 3.102 398 V HA 0.380 4.500 4.120 0.000 0.000 0.225 398 V C 0.645 176.748 176.094 0.016 0.000 1.301 398 V CA 1.604 63.911 62.300 0.013 0.000 1.308 398 V CB 0.703 32.538 31.823 0.020 0.000 1.129 398 V HN 0.714 nan 8.190 nan 0.000 0.502 399 D N -1.809 118.604 120.400 0.022 0.000 2.665 399 D HA 0.526 5.167 4.640 0.000 0.000 0.287 399 D C 0.335 176.649 176.300 0.024 0.000 1.266 399 D CA 0.210 54.223 54.000 0.022 0.000 0.830 399 D CB 1.051 41.867 40.800 0.027 0.000 1.356 399 D HN 0.655 nan 8.370 nan 0.000 0.437 400 G N -0.410 108.401 108.800 0.018 0.000 2.601 400 G HA2 -0.182 3.779 3.960 0.000 0.000 0.252 400 G HA3 -0.182 3.779 3.960 0.000 0.000 0.252 400 G C 0.806 175.709 174.900 0.005 0.000 1.294 400 G CA 1.121 46.229 45.100 0.013 0.000 0.912 400 G HN 1.530 nan 8.290 nan 0.000 0.574 401 T N -0.952 113.602 114.554 0.001 0.000 3.194 401 T HA 0.370 4.721 4.350 0.000 0.000 0.251 401 T C 1.733 176.434 174.700 0.001 0.000 1.132 401 T CA 1.404 63.499 62.100 -0.008 0.000 1.028 401 T CB -0.415 68.441 68.868 -0.020 0.000 0.976 401 T HN 1.488 nan 8.240 nan 0.000 0.535 402 I N -1.488 119.089 120.570 0.012 0.000 3.947 402 I HA 0.382 4.552 4.170 0.000 0.000 0.327 402 I C 1.660 177.779 176.117 0.003 0.000 1.519 402 I CA -0.457 60.849 61.300 0.009 0.000 1.122 402 I CB 0.008 38.018 38.000 0.017 0.000 1.146 402 I HN 0.133 nan 8.210 nan 0.000 0.442 403 S N 0.965 116.667 115.700 0.003 0.000 2.442 403 S HA -0.009 4.461 4.470 0.000 0.000 0.236 403 S C 1.517 176.113 174.600 -0.007 0.000 1.007 403 S CA 1.113 59.313 58.200 0.000 0.000 0.965 403 S CB -0.424 62.776 63.200 0.000 0.000 0.773 403 S HN 0.642 nan 8.310 nan 0.000 0.504 404 G N 0.392 109.186 108.800 -0.011 0.000 4.110 404 G HA2 0.361 4.322 3.960 0.000 0.000 0.292 404 G HA3 0.361 4.322 3.960 0.000 0.000 0.292 404 G C -0.033 174.857 174.900 -0.017 0.000 1.020 404 G CA -0.846 44.245 45.100 -0.015 0.000 0.808 404 G HN 0.370 nan 8.290 nan 0.000 0.474 405 R N 0.863 121.354 120.500 -0.016 0.000 2.421 405 R HA 0.365 4.705 4.340 0.000 0.000 0.305 405 R C 1.703 177.990 176.300 -0.021 0.000 1.039 405 R CA 0.652 56.742 56.100 -0.017 0.000 1.003 405 R CB 0.664 30.955 30.300 -0.015 0.000 0.959 405 R HN 0.021 nan 8.270 nan 0.000 0.427 406 G N 2.970 111.757 108.800 -0.021 0.000 2.440 406 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 406 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 406 G C 1.152 176.043 174.900 -0.015 0.000 1.154 406 G CA 0.606 45.694 45.100 -0.020 0.000 0.767 406 G HN 0.743 nan 8.290 nan 0.000 0.552 407 G N 0.100 108.897 108.800 -0.004 0.000 2.598 407 G HA2 0.098 4.058 3.960 0.000 0.000 0.215 407 G HA3 0.098 4.058 3.960 0.000 0.000 0.215 407 G C 1.410 176.304 174.900 -0.010 0.000 1.131 407 G CA 0.330 45.435 45.100 0.007 0.000 0.785 407 G HN 0.450 nan 8.290 nan 0.000 0.539 408 L N 0.269 121.472 121.223 -0.032 0.000 2.766 408 L HA 0.247 4.587 4.340 0.000 0.000 0.242 408 L C 1.426 178.266 176.870 -0.051 0.000 1.136 408 L CA -0.167 54.637 54.840 -0.060 0.000 0.933 408 L CB 0.324 42.326 42.059 -0.096 0.000 1.241 408 L HN 0.171 nan 8.230 nan 0.000 0.522 409 I N -3.638 116.909 120.570 -0.039 0.000 3.793 409 I HA 0.203 4.373 4.170 0.000 0.000 0.315 409 I C 0.671 176.764 176.117 -0.039 0.000 1.275 409 I CA -0.203 61.076 61.300 -0.034 0.000 1.214 409 I CB -0.765 37.220 38.000 -0.026 0.000 1.018 409 I HN -0.116 nan 8.210 nan 0.000 0.439 410 S N 1.430 117.101 115.700 -0.048 0.000 2.621 410 S HA 0.649 5.120 4.470 0.000 0.000 0.302 410 S C -2.534 172.017 174.600 -0.082 0.000 1.093 410 S CA -1.040 57.126 58.200 -0.056 0.000 1.017 410 S CB 1.445 64.614 63.200 -0.052 0.000 1.077 410 S HN -0.004 nan 8.310 nan 0.000 0.517 411 P HA 0.157 nan 4.420 nan 0.000 0.269 411 P C -1.994 175.198 177.300 -0.180 0.000 1.215 411 P CA -0.928 62.092 63.100 -0.133 0.000 0.780 411 P CB -0.032 31.607 31.700 -0.101 0.000 0.898 412 P HA 0.145 nan 4.420 nan 0.000 0.257 412 P C 0.580 177.657 177.300 -0.373 0.000 1.325 412 P CA 0.430 63.245 63.100 -0.476 0.000 0.850 412 P CB 0.188 31.184 31.700 -1.173 0.000 1.324 413 L N -1.166 119.925 121.223 -0.220 0.000 2.253 413 L HA 0.117 4.457 4.340 0.000 0.000 0.205 413 L C 1.397 178.220 176.870 -0.079 0.000 1.078 413 L CA 0.166 54.931 54.840 -0.124 0.000 0.805 413 L CB -0.361 41.641 42.059 -0.095 0.000 0.963 413 L HN -0.149 nan 8.230 nan 0.000 0.459 414 V N 1.587 121.456 119.914 -0.075 0.000 2.843 414 V HA -0.033 4.088 4.120 0.000 0.000 0.305 414 V C 0.997 177.075 176.094 -0.027 0.000 1.065 414 V CA 0.266 62.539 62.300 -0.045 0.000 1.116 414 V CB 0.636 32.434 31.823 -0.041 0.000 0.968 414 V HN 0.549 nan 8.190 nan 0.000 0.487 415 K N 2.395 122.790 120.400 -0.007 0.000 3.495 415 K HA -0.256 4.064 4.320 0.000 0.000 0.315 415 K C 0.964 177.578 176.600 0.022 0.000 1.301 415 K CA 1.460 57.752 56.287 0.008 0.000 0.985 415 K CB -1.186 31.317 32.500 0.004 0.000 1.244 415 K HN 0.844 nan 8.250 nan 0.000 0.433 416 N N 0.688 119.401 118.700 0.023 0.000 2.742 416 N HA 0.010 4.750 4.740 0.000 0.000 0.233 416 N C -0.110 175.448 175.510 0.081 0.000 1.033 416 N CA 0.529 53.611 53.050 0.054 0.000 0.993 416 N CB 0.615 39.134 38.487 0.053 0.000 1.544 416 N HN -0.039 nan 8.380 nan 0.000 0.459 417 V N 3.712 123.660 119.914 0.057 0.000 2.540 417 V HA 0.136 4.256 4.120 0.000 0.000 0.297 417 V C 0.563 176.718 176.094 0.101 0.000 1.024 417 V CA -0.021 62.327 62.300 0.081 0.000 1.105 417 V CB -0.179 31.603 31.823 -0.069 0.000 0.938 417 V HN 0.299 nan 8.190 nan 0.000 0.482 418 I N 2.818 123.484 120.570 0.159 0.000 2.474 418 I HA 0.992 5.162 4.170 0.000 0.000 0.294 418 I C -0.341 175.889 176.117 0.188 0.000 1.005 418 I CA -0.639 60.760 61.300 0.165 0.000 1.113 418 I CB 2.058 40.150 38.000 0.154 0.000 1.289 418 I HN 0.640 nan 8.210 nan 0.000 0.436 419 A N 4.441 127.430 122.820 0.281 0.000 2.582 419 A HA 0.589 4.909 4.320 0.000 0.000 0.297 419 A C -1.405 176.366 177.584 0.312 0.000 1.059 419 A CA -0.827 51.388 52.037 0.297 0.000 0.705 419 A CB 1.614 20.763 19.000 0.248 0.000 1.279 419 A HN 0.770 nan 8.150 nan 0.000 0.404 420 K N 1.387 121.973 120.400 0.310 0.000 2.234 420 K HA 0.583 4.903 4.320 0.000 0.000 0.282 420 K C 0.430 177.081 176.600 0.086 0.000 1.039 420 K CA 0.516 56.855 56.287 0.087 0.000 0.928 420 K CB 0.589 33.070 32.500 -0.032 0.000 1.039 420 K HN 0.870 nan 8.250 nan 0.000 0.470 421 T N 0.416 114.996 114.554 0.043 0.000 2.899 421 T HA 0.675 5.025 4.350 0.000 0.000 0.284 421 T C 0.334 175.037 174.700 0.006 0.000 1.004 421 T CA -0.818 61.309 62.100 0.046 0.000 1.043 421 T CB 1.570 70.448 68.868 0.017 0.000 1.013 421 T HN 0.549 nan 8.240 nan 0.000 0.518 422 G N 0.394 109.197 108.800 0.005 0.000 2.737 422 G HA2 0.536 4.496 3.960 0.000 0.000 0.290 422 G HA3 0.536 4.496 3.960 0.000 0.000 0.290 422 G C -1.058 173.764 174.900 -0.131 0.000 1.482 422 G CA -0.727 44.332 45.100 -0.068 0.000 1.017 422 G HN 0.739 nan 8.290 nan 0.000 0.529 423 S N 1.551 117.129 115.700 -0.204 0.000 2.647 423 S HA 0.741 5.211 4.470 0.000 0.000 0.300 423 S C -0.399 173.981 174.600 -0.368 0.000 1.129 423 S CA -0.459 57.542 58.200 -0.332 0.000 1.029 423 S CB 1.283 64.324 63.200 -0.265 0.000 1.007 423 S HN 0.536 nan 8.310 nan 0.000 0.484 424 L N 1.367 122.340 121.223 -0.416 0.000 2.397 424 L HA 0.552 4.892 4.340 0.000 0.000 0.251 424 L C -0.200 176.460 176.870 -0.350 0.000 1.064 424 L CA -1.150 53.483 54.840 -0.345 0.000 0.859 424 L CB 1.551 43.452 42.059 -0.263 0.000 1.468 424 L HN 0.453 nan 8.230 nan 0.000 0.411 425 K N 0.570 120.817 120.400 -0.254 0.000 2.466 425 K HA 0.125 4.445 4.320 0.000 0.000 0.278 425 K C 0.833 177.330 176.600 -0.172 0.000 1.048 425 K CA 1.309 57.480 56.287 -0.194 0.000 1.088 425 K CB -0.048 32.377 32.500 -0.125 0.000 0.884 425 K HN 0.802 nan 8.250 nan 0.000 0.478 426 G N 2.094 110.803 108.800 -0.153 0.000 2.148 426 G HA2 -0.229 3.732 3.960 0.000 0.000 0.254 426 G HA3 -0.229 3.732 3.960 0.000 0.000 0.254 426 G C -0.308 174.524 174.900 -0.113 0.000 0.981 426 G CA 0.127 45.211 45.100 -0.026 0.000 0.670 426 G HN 0.509 nan 8.290 nan 0.000 0.528 427 V N 0.198 119.850 119.914 -0.437 0.000 2.531 427 V HA 0.657 4.777 4.120 0.000 0.000 0.301 427 V C -0.899 174.784 176.094 -0.686 0.000 1.034 427 V CA -0.888 61.197 62.300 -0.358 0.000 0.865 427 V CB 1.659 33.313 31.823 -0.282 0.000 0.995 427 V HN 0.246 nan 8.190 nan 0.000 0.424 428 Y N 3.753 123.995 120.300 -0.097 0.000 2.594 428 Y HA 0.521 5.071 4.550 0.000 0.000 0.338 428 Y C 0.205 176.125 175.900 0.034 0.000 1.019 428 Y CA -0.797 57.243 58.100 -0.101 0.000 1.306 428 Y CB 1.170 39.499 38.460 -0.218 0.000 1.094 428 Y HN 0.574 nan 8.280 nan 0.000 0.534 429 N N 3.006 121.799 118.700 0.156 0.000 2.384 429 N HA 0.711 5.452 4.740 0.000 0.000 0.301 429 N C -1.207 174.461 175.510 0.262 0.000 1.133 429 N CA -0.642 52.574 53.050 0.276 0.000 0.853 429 N CB 2.316 40.968 38.487 0.275 0.000 1.241 429 N HN 0.448 nan 8.380 nan 0.000 0.502 430 L N 0.409 121.834 121.223 0.336 0.000 2.422 430 L HA 0.833 5.173 4.340 0.000 0.000 0.264 430 L C -0.802 176.259 176.870 0.318 0.000 0.984 430 L CA -0.971 54.058 54.840 0.314 0.000 0.819 430 L CB 2.152 44.424 42.059 0.356 0.000 1.330 430 L HN 0.567 nan 8.230 nan 0.000 0.410 431 A N 1.559 124.481 122.820 0.169 0.000 2.408 431 A HA 0.965 5.285 4.320 0.000 0.000 0.295 431 A C -0.339 177.037 177.584 -0.346 0.000 1.040 431 A CA 0.178 52.155 52.037 -0.100 0.000 0.707 431 A CB 1.782 20.755 19.000 -0.045 0.000 1.235 431 A HN 0.893 nan 8.150 nan 0.000 0.418 432 G N 0.290 108.361 108.800 -1.214 0.000 2.392 432 G HA2 0.584 4.545 3.960 0.000 0.000 0.260 432 G HA3 0.584 4.545 3.960 0.000 0.000 0.260 432 G C -1.616 172.058 174.900 -2.043 0.000 1.226 432 G CA -0.449 43.837 45.100 -1.357 0.000 0.913 432 G HN 0.780 nan 8.290 nan 0.000 0.483 433 F N 0.170 119.694 119.950 -0.709 0.000 2.629 433 F HA 0.867 5.395 4.527 0.001 0.000 0.316 433 F C 0.438 176.318 175.800 0.133 0.000 1.081 433 F CA -0.804 57.021 58.000 -0.292 0.000 0.954 433 F CB 2.525 41.342 39.000 -0.306 0.000 1.337 433 F HN 0.739 nan 8.300 nan 0.000 0.474 434 M N -0.747 119.100 119.600 0.411 0.000 2.644 434 M HA 0.677 5.157 4.480 0.000 0.000 0.273 434 M C -1.697 174.742 176.300 0.232 0.000 1.253 434 M CA -0.694 54.798 55.300 0.320 0.000 0.852 434 M CB 2.249 35.056 32.600 0.344 0.000 1.708 434 M HN 0.385 nan 8.290 nan 0.000 0.471 435 T N 2.414 117.086 114.554 0.197 0.000 2.829 435 T HA 0.442 4.792 4.350 0.000 0.000 0.282 435 T C -0.179 174.614 174.700 0.155 0.000 0.990 435 T CA -0.613 61.574 62.100 0.145 0.000 1.028 435 T CB 0.763 69.707 68.868 0.126 0.000 0.951 435 T HN 0.783 nan 8.240 nan 0.000 0.460 436 N N 1.637 120.332 118.700 -0.009 0.000 2.476 436 N HA 0.419 5.159 4.740 0.000 0.000 0.287 436 N C 1.242 176.407 175.510 -0.574 0.000 1.262 436 N CA -0.610 52.257 53.050 -0.304 0.000 0.980 436 N CB 0.088 38.457 38.487 -0.197 0.000 1.163 436 N HN 0.464 nan 8.380 nan 0.000 0.592 437 A N -0.681 121.555 122.820 -0.974 0.000 2.121 437 A HA -0.035 4.285 4.320 0.000 0.000 0.218 437 A C 1.646 179.079 177.584 -0.252 0.000 1.154 437 A CA 0.708 52.301 52.037 -0.741 0.000 0.679 437 A CB -0.504 18.170 19.000 -0.544 0.000 0.795 437 A HN 0.659 nan 8.150 nan 0.000 0.458 438 R N -1.392 118.990 120.500 -0.197 0.000 2.393 438 R HA 0.249 4.589 4.340 0.000 0.000 0.244 438 R C 1.074 177.340 176.300 -0.057 0.000 0.920 438 R CA 0.459 56.503 56.100 -0.094 0.000 1.076 438 R CB 0.103 30.356 30.300 -0.077 0.000 1.119 438 R HN 0.588 nan 8.270 nan 0.000 0.524 439 G N 1.781 110.549 108.800 -0.053 0.000 2.143 439 G HA2 -0.296 3.664 3.960 0.000 0.000 0.248 439 G HA3 -0.296 3.664 3.960 0.000 0.000 0.248 439 G C -0.223 174.671 174.900 -0.010 0.000 0.991 439 G CA 0.098 45.190 45.100 -0.014 0.000 0.689 439 G HN 0.401 nan 8.290 nan 0.000 0.522 440 E N -0.257 119.933 120.200 -0.017 0.000 2.248 440 E HA 0.530 4.880 4.350 0.000 0.000 0.272 440 E C 0.145 176.760 176.600 0.025 0.000 1.008 440 E CA -0.790 55.610 56.400 0.000 0.000 0.856 440 E CB 1.366 31.066 29.700 -0.000 0.000 1.120 440 E HN 0.193 nan 8.360 nan 0.000 0.397 441 K N 1.438 121.858 120.400 0.033 0.000 2.172 441 K HA 0.343 4.663 4.320 0.000 0.000 0.276 441 K C -1.266 175.400 176.600 0.110 0.000 1.013 441 K CA -0.450 55.879 56.287 0.069 0.000 0.913 441 K CB 1.030 33.547 32.500 0.028 0.000 1.055 441 K HN 0.205 nan 8.250 nan 0.000 0.461 442 V N 3.251 123.268 119.914 0.171 0.000 2.448 442 V HA 0.472 4.592 4.120 0.000 0.000 0.295 442 V C -0.335 175.894 176.094 0.225 0.000 1.025 442 V CA -0.864 61.549 62.300 0.187 0.000 0.859 442 V CB 1.344 33.288 31.823 0.203 0.000 0.988 442 V HN 0.944 nan 8.190 nan 0.000 0.431 443 A N 5.567 128.459 122.820 0.119 0.000 2.303 443 A HA 0.997 5.317 4.320 0.000 0.000 0.317 443 A C -0.841 176.651 177.584 -0.152 0.000 1.149 443 A CA -0.331 51.596 52.037 -0.184 0.000 0.822 443 A CB 0.728 19.644 19.000 -0.140 0.000 1.131 443 A HN 1.080 nan 8.150 nan 0.000 0.493 444 F N -0.342 119.470 119.950 -0.231 0.000 2.619 444 F HA 0.722 5.249 4.527 0.000 0.000 0.308 444 F C -1.308 174.405 175.800 -0.144 0.000 1.097 444 F CA -1.438 56.498 58.000 -0.108 0.000 0.953 444 F CB 1.155 40.179 39.000 0.041 0.000 1.287 444 F HN 0.302 nan 8.300 nan 0.000 0.446 445 V N 2.627 122.593 119.914 0.086 0.000 2.577 445 V HA 0.491 4.612 4.120 0.000 0.000 0.303 445 V C -1.096 175.004 176.094 0.010 0.000 1.042 445 V CA -0.545 61.710 62.300 -0.075 0.000 0.872 445 V CB 1.630 33.240 31.823 -0.355 0.000 0.998 445 V HN 0.934 nan 8.190 nan 0.000 0.423 446 Q N 4.347 124.229 119.800 0.137 0.000 2.339 446 Q HA 0.558 4.898 4.340 0.000 0.000 0.268 446 Q C -2.154 174.041 176.000 0.325 0.000 1.027 446 Q CA -0.511 55.429 55.803 0.229 0.000 0.759 446 Q CB 1.337 30.318 28.738 0.404 0.000 1.244 446 Q HN 0.549 nan 8.270 nan 0.000 0.464 447 F N 4.180 124.239 119.950 0.182 0.000 2.482 447 F HA 0.569 5.096 4.527 0.000 0.000 0.331 447 F C -0.106 175.764 175.800 0.117 0.000 1.115 447 F CA -1.332 56.748 58.000 0.135 0.000 0.955 447 F CB 1.398 40.472 39.000 0.122 0.000 1.136 447 F HN 0.442 nan 8.300 nan 0.000 0.452 448 I N 4.307 125.041 120.570 0.274 0.000 2.447 448 I HA 0.354 4.525 4.170 0.000 0.000 0.287 448 I C -0.698 175.504 176.117 0.143 0.000 1.023 448 I CA -0.520 60.883 61.300 0.172 0.000 1.083 448 I CB 1.716 39.798 38.000 0.136 0.000 1.245 448 I HN 0.453 nan 8.210 nan 0.000 0.434 449 N N 2.851 121.625 118.700 0.124 0.000 2.469 449 N HA 0.560 5.300 4.740 0.000 0.000 0.286 449 N C 0.426 175.999 175.510 0.105 0.000 1.275 449 N CA 0.006 53.103 53.050 0.080 0.000 0.790 449 N CB 1.866 40.379 38.487 0.043 0.000 1.446 449 N HN 0.792 nan 8.380 nan 0.000 0.501 450 G N -0.112 108.736 108.800 0.081 0.000 2.198 450 G HA2 -0.296 3.665 3.960 0.000 0.000 0.260 450 G HA3 -0.296 3.665 3.960 0.000 0.000 0.260 450 G C -0.593 174.376 174.900 0.115 0.000 1.025 450 G CA 0.387 45.533 45.100 0.075 0.000 0.769 450 G HN 0.588 nan 8.290 nan 0.000 0.507 451 Y N 1.020 121.348 120.300 0.046 0.000 2.425 451 Y HA 0.562 5.113 4.550 0.000 0.000 0.347 451 Y C 0.255 176.198 175.900 0.071 0.000 0.976 451 Y CA -0.078 58.068 58.100 0.076 0.000 1.190 451 Y CB 1.250 39.840 38.460 0.217 0.000 1.136 451 Y HN 0.273 nan 8.280 nan 0.000 0.517 452 S N 3.698 119.389 115.700 -0.016 0.000 2.677 452 S HA 0.294 4.764 4.470 0.000 0.000 0.283 452 S C 0.160 174.706 174.600 -0.090 0.000 1.159 452 S CA -0.041 58.172 58.200 0.022 0.000 1.001 452 S CB 0.825 64.029 63.200 0.007 0.000 1.032 452 S HN 0.837 nan 8.310 nan 0.000 0.487 453 T N 1.077 115.611 114.554 -0.033 0.000 3.043 453 T HA 0.565 4.915 4.350 0.000 0.000 0.272 453 T C 0.837 175.522 174.700 -0.025 0.000 0.990 453 T CA 0.390 62.449 62.100 -0.067 0.000 0.897 453 T CB 0.456 69.293 68.868 -0.052 0.000 1.111 453 T HN 0.855 nan 8.240 nan 0.000 0.529 454 G N 0.320 109.118 108.800 -0.004 0.000 2.793 454 G HA2 0.541 4.501 3.960 0.000 0.000 0.248 454 G HA3 0.541 4.501 3.960 0.000 0.000 0.248 454 G C -1.813 173.081 174.900 -0.010 0.000 1.198 454 G CA -0.612 44.483 45.100 -0.008 0.000 0.865 454 G HN 0.120 nan 8.290 nan 0.000 0.534 455 D N -0.284 120.106 120.400 -0.016 0.000 2.414 455 D HA 0.432 5.073 4.640 0.000 0.000 0.251 455 D C 0.406 176.693 176.300 -0.022 0.000 1.252 455 D CA -0.173 53.812 54.000 -0.026 0.000 0.999 455 D CB 0.499 41.274 40.800 -0.042 0.000 1.093 455 D HN 0.148 nan 8.370 nan 0.000 0.515 456 L N 0.754 121.959 121.223 -0.029 0.000 2.453 456 L HA 0.050 4.391 4.340 0.000 0.000 0.272 456 L C 1.221 178.068 176.870 -0.039 0.000 1.182 456 L CA 0.616 55.437 54.840 -0.032 0.000 0.858 456 L CB -0.151 41.887 42.059 -0.035 0.000 1.120 456 L HN 0.455 nan 8.230 nan 0.000 0.474 457 E N -0.370 119.807 120.200 -0.038 0.000 3.496 457 E HA -0.213 4.137 4.350 0.000 0.000 0.300 457 E C 0.078 176.657 176.600 -0.035 0.000 0.877 457 E CA 0.577 56.953 56.400 -0.041 0.000 1.050 457 E CB -1.107 28.567 29.700 -0.044 0.000 1.532 457 E HN 0.631 nan 8.360 nan 0.000 0.447 458 S N 0.392 116.076 115.700 -0.027 0.000 2.592 458 S HA 0.216 4.686 4.470 0.000 0.000 0.271 458 S C 0.262 174.856 174.600 -0.009 0.000 1.326 458 S CA -0.570 57.620 58.200 -0.018 0.000 1.024 458 S CB 0.898 64.091 63.200 -0.012 0.000 0.921 458 S HN 0.041 nan 8.310 nan 0.000 0.527 459 K N 2.654 123.049 120.400 -0.009 0.000 2.276 459 K HA 0.226 4.547 4.320 0.000 0.000 0.283 459 K C -0.238 176.377 176.600 0.025 0.000 1.044 459 K CA -0.043 56.243 56.287 -0.000 0.000 0.944 459 K CB 0.762 33.253 32.500 -0.014 0.000 1.012 459 K HN 0.592 nan 8.250 nan 0.000 0.472 460 T N 3.022 117.609 114.554 0.055 0.000 2.780 460 T HA 0.087 4.438 4.350 0.000 0.000 0.294 460 T C 0.335 175.084 174.700 0.081 0.000 0.949 460 T CA -0.706 61.461 62.100 0.111 0.000 1.074 460 T CB 0.859 69.864 68.868 0.228 0.000 0.910 460 T HN 0.089 nan 8.240 nan 0.000 0.501 461 K N 2.500 122.949 120.400 0.083 0.000 2.419 461 K HA 0.045 4.365 4.320 0.000 0.000 0.282 461 K C 0.902 177.547 176.600 0.076 0.000 1.056 461 K CA -0.037 56.281 56.287 0.052 0.000 1.035 461 K CB 0.080 32.599 32.500 0.032 0.000 0.921 461 K HN 0.512 nan 8.250 nan 0.000 0.472 462 R N 2.910 123.404 120.500 -0.010 0.000 2.297 462 R HA 0.084 4.424 4.340 0.000 0.000 0.197 462 R C 1.533 177.813 176.300 -0.034 0.000 0.943 462 R CA 0.611 56.654 56.100 -0.094 0.000 1.038 462 R CB 0.159 30.372 30.300 -0.145 0.000 0.957 462 R HN 0.674 nan 8.270 nan 0.000 0.484 463 A N 2.333 125.154 122.820 0.002 0.000 1.908 463 A HA -0.082 4.238 4.320 0.000 0.000 0.218 463 A C -0.476 177.125 177.584 0.029 0.000 1.181 463 A CA 1.133 53.173 52.037 0.006 0.000 0.627 463 A CB -1.115 17.886 19.000 0.002 0.000 0.818 463 A HN 0.133 nan 8.150 nan 0.000 0.445 464 P HA -0.111 nan 4.420 nan 0.000 0.217 464 P C 1.616 178.989 177.300 0.122 0.000 1.150 464 P CA 0.727 63.867 63.100 0.067 0.000 0.832 464 P CB -0.043 31.670 31.700 0.022 0.000 0.787 465 L N -0.617 120.674 121.223 0.113 0.000 2.056 465 L HA -0.118 4.222 4.340 0.000 0.000 0.207 465 L C 2.130 179.056 176.870 0.094 0.000 1.078 465 L CA 1.785 56.661 54.840 0.060 0.000 0.749 465 L CB -1.104 40.807 42.059 -0.246 0.000 0.901 465 L HN -0.201 nan 8.230 nan 0.000 0.433 466 V N -0.359 119.573 119.914 0.031 0.000 2.343 466 V HA -0.335 3.785 4.120 0.000 0.000 0.247 466 V C 2.585 178.711 176.094 0.053 0.000 1.051 466 V CA 2.097 64.416 62.300 0.032 0.000 1.036 466 V CB -0.645 31.178 31.823 0.001 0.000 0.654 466 V HN 0.634 nan 8.190 nan 0.000 0.451 467 Q N -0.849 118.989 119.800 0.062 0.000 2.050 467 Q HA -0.242 4.098 4.340 0.000 0.000 0.202 467 Q C 2.194 178.233 176.000 0.065 0.000 0.980 467 Q CA 2.223 58.056 55.803 0.050 0.000 0.840 467 Q CB -0.224 28.543 28.738 0.047 0.000 0.898 467 Q HN 0.628 nan 8.270 nan 0.000 0.424 468 F N 1.502 121.439 119.950 -0.022 0.000 2.069 468 F HA -0.221 4.307 4.527 0.001 0.000 0.298 468 F C 1.909 177.681 175.800 -0.048 0.000 1.113 468 F CA 2.076 60.053 58.000 -0.038 0.000 1.214 468 F CB -0.084 38.907 39.000 -0.015 0.000 0.978 468 F HN 0.124 nan 8.300 nan 0.000 0.474 469 E N -0.162 120.083 120.200 0.076 0.000 2.072 469 E HA -0.228 4.122 4.350 0.000 0.000 0.191 469 E C 2.378 178.984 176.600 0.010 0.000 0.985 469 E CA 0.921 57.353 56.400 0.054 0.000 0.801 469 E CB -0.323 29.529 29.700 0.252 0.000 0.750 469 E HN 0.379 nan 8.360 nan 0.000 0.452 470 R N 1.005 121.504 120.500 -0.002 0.000 2.083 470 R HA -0.179 4.161 4.340 0.000 0.000 0.237 470 R C 1.810 178.052 176.300 -0.097 0.000 1.137 470 R CA 1.703 57.788 56.100 -0.024 0.000 0.951 470 R CB -0.059 30.226 30.300 -0.024 0.000 0.851 470 R HN 0.121 nan 8.270 nan 0.000 0.434 471 N N 0.868 119.465 118.700 -0.171 0.000 2.106 471 N HA -0.166 4.574 4.740 0.000 0.000 0.188 471 N C 1.744 177.047 175.510 -0.345 0.000 1.029 471 N CA 0.968 53.889 53.050 -0.216 0.000 0.848 471 N CB -0.474 37.892 38.487 -0.201 0.000 1.007 471 N HN 0.173 nan 8.380 nan 0.000 0.423 472 L N 0.417 121.273 121.223 -0.610 0.000 2.012 472 L HA -0.146 4.194 4.340 0.000 0.000 0.210 472 L C 1.709 178.145 176.870 -0.723 0.000 1.073 472 L CA 1.691 56.048 54.840 -0.805 0.000 0.748 472 L CB -0.849 40.436 42.059 -1.289 0.000 0.891 472 L HN 0.109 nan 8.230 nan 0.000 0.431 473 Y N -0.518 119.598 120.300 -0.307 0.000 2.395 473 Y HA -0.063 4.487 4.550 0.000 0.000 0.293 473 Y C 2.381 178.211 175.900 -0.118 0.000 1.123 473 Y CA 1.312 59.259 58.100 -0.256 0.000 1.227 473 Y CB -0.784 37.501 38.460 -0.293 0.000 1.012 473 Y HN 0.334 nan 8.280 nan 0.000 0.552 474 N N -0.096 118.586 118.700 -0.029 0.000 2.166 474 N HA -0.153 4.587 4.740 0.000 0.000 0.186 474 N C 1.691 177.222 175.510 0.034 0.000 1.019 474 N CA 1.285 54.342 53.050 0.012 0.000 0.856 474 N CB -0.022 38.447 38.487 -0.030 0.000 0.993 474 N HN 0.256 nan 8.380 nan 0.000 0.426 475 E N 0.567 120.728 120.200 -0.066 0.000 2.077 475 E HA -0.126 4.225 4.350 0.000 0.000 0.193 475 E C 2.049 178.655 176.600 0.011 0.000 0.989 475 E CA 0.679 57.057 56.400 -0.037 0.000 0.800 475 E CB -0.229 29.402 29.700 -0.114 0.000 0.746 475 E HN 0.449 nan 8.360 nan 0.000 0.452 476 L N -0.053 121.138 121.223 -0.053 0.000 2.083 476 L HA -0.198 4.142 4.340 0.000 0.000 0.209 476 L C 2.581 179.512 176.870 0.101 0.000 1.083 476 L CA 1.145 55.980 54.840 -0.008 0.000 0.752 476 L CB -0.499 41.532 42.059 -0.046 0.000 0.899 476 L HN 0.121 nan 8.230 nan 0.000 0.433 477 Y N 1.011 121.324 120.300 0.022 0.000 2.224 477 Y HA -0.247 4.303 4.550 0.000 0.000 0.289 477 Y C 2.286 178.215 175.900 0.048 0.000 1.146 477 Y CA 1.665 59.790 58.100 0.043 0.000 1.182 477 Y CB 0.060 38.537 38.460 0.028 0.000 0.983 477 Y HN 0.020 nan 8.280 nan 0.000 0.524 478 K N -1.490 118.973 120.400 0.105 0.000 2.361 478 K HA -0.023 4.297 4.320 0.000 0.000 0.194 478 K C 0.242 176.852 176.600 0.017 0.000 1.032 478 K CA -0.202 56.103 56.287 0.031 0.000 1.048 478 K CB -0.002 32.556 32.500 0.098 0.000 0.842 478 K HN 0.169 nan 8.250 nan 0.000 0.526 479 Y N 0.000 120.266 120.300 -0.057 0.000 2.660 479 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 479 Y CA 0.000 58.070 58.100 -0.050 0.000 1.940 479 Y CB 0.000 38.434 38.460 -0.044 0.000 1.050 479 Y HN 0.000 nan 8.280 nan 0.000 0.758