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 2jkv_1_E DATA FIRST_RESID 2 DATA SEQUENCE AQADIALIGL AVMGQNLILN MNDHGFVVCA FNRTVSKVDD FLANEAKGTK DATA SEQUENCE VVGAQSLKEM VSKLKKPRRI ILLVKAGQAV DDFIEKLVPL LDTGDIIIDG DATA SEQUENCE GNSEYRDTTR RCRDLKAKGI LFVGSGVSGG EEGARYGPSL MPGGNKEAWP DATA SEQUENCE HIKTIFQGIA AKVGTGEPCC DWVGDEGAGH FVKMVHNGIE YGDMQLICEA DATA SEQUENCE YHLMKDVLGM AQDEMAQAFE DWNKTELDSF LIEITANILK FQDTDGKHLL DATA SEQUENCE PKIRDSAGQK GTGKWTAISA LEYGVPVTLI GEAVFARCLS SLKDERIQAS DATA SEQUENCE KKLKGPQKFQ FDGDKKSFLE DIRKALYASK IISYAQGFML LRQAATEFGW DATA SEQUENCE TLNYGGIALM WRGGCIIRSV FLGKIKDAFD RNPELQNLLL DDFFKSAVEN DATA SEQUENCE CQDSWRRAVS TGVQAGIPMP CFTTALSFYD GYRHEMLPAS LIQAQRDYFG DATA SEQUENCE AHTYELLAKP GQFIHTNWTG HGGTVSSSSY NA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.590 177.584 0.011 0.000 1.274 2 A CA 0.000 52.039 52.037 0.003 0.000 0.836 2 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 3 Q N -0.303 119.506 119.800 0.015 0.000 2.390 3 Q HA 0.735 5.076 4.340 0.001 0.000 0.216 3 Q C 1.144 177.164 176.000 0.034 0.000 0.916 3 Q CA 1.487 57.303 55.803 0.022 0.000 0.911 3 Q CB -0.102 28.649 28.738 0.021 0.000 1.035 3 Q HN 2.273 nan 8.270 nan 0.000 0.541 4 A N 1.176 124.017 122.820 0.034 0.000 2.354 4 A HA 0.411 4.732 4.320 0.001 0.000 0.269 4 A C 0.077 177.690 177.584 0.049 0.000 1.109 4 A CA 0.038 52.104 52.037 0.048 0.000 0.800 4 A CB 0.431 19.458 19.000 0.046 0.000 1.045 4 A HN 0.406 nan 8.150 nan 0.000 0.489 5 D N 0.339 120.785 120.400 0.076 0.000 2.234 5 D HA 0.116 4.757 4.640 0.001 0.000 0.205 5 D C 0.272 176.589 176.300 0.028 0.000 0.962 5 D CA 1.411 55.456 54.000 0.074 0.000 0.855 5 D CB 0.292 41.188 40.800 0.159 0.000 0.951 5 D HN 0.541 nan 8.370 nan 0.000 0.500 6 I N -0.891 119.697 120.570 0.031 0.000 2.897 6 I HA 0.398 4.569 4.170 0.001 0.000 0.299 6 I C -2.028 174.103 176.117 0.023 0.000 1.527 6 I CA -0.710 60.596 61.300 0.009 0.000 0.979 6 I CB 2.008 39.998 38.000 -0.018 0.000 1.360 6 I HN -0.184 nan 8.210 nan 0.000 0.495 7 A N 5.962 128.789 122.820 0.012 0.000 2.356 7 A HA 0.897 5.218 4.320 0.001 0.000 0.323 7 A C -1.853 175.737 177.584 0.009 0.000 1.119 7 A CA -0.573 51.474 52.037 0.017 0.000 0.790 7 A CB 1.766 20.766 19.000 0.000 0.000 1.273 7 A HN 0.719 nan 8.150 nan 0.000 0.452 8 L N 2.122 123.353 121.223 0.013 0.000 2.436 8 L HA 0.677 5.017 4.340 0.001 0.000 0.268 8 L C -1.584 175.267 176.870 -0.032 0.000 0.974 8 L CA -0.576 54.252 54.840 -0.019 0.000 0.826 8 L CB 1.507 43.549 42.059 -0.029 0.000 1.291 8 L HN 0.667 nan 8.230 nan 0.000 0.406 9 I N 4.490 125.005 120.570 -0.092 0.000 2.378 9 I HA 0.735 4.906 4.170 0.001 0.000 0.291 9 I C 0.238 176.242 176.117 -0.188 0.000 0.992 9 I CA -0.700 60.505 61.300 -0.158 0.000 1.154 9 I CB 1.569 39.339 38.000 -0.383 0.000 1.315 9 I HN 0.797 nan 8.210 nan 0.000 0.448 10 G N 6.107 114.807 108.800 -0.166 0.000 3.393 10 G HA2 -0.055 3.905 3.960 0.001 0.000 0.676 10 G HA3 -0.055 3.905 3.960 0.001 0.000 0.676 10 G C -0.824 173.970 174.900 -0.177 0.000 1.224 10 G CA -0.934 44.083 45.100 -0.137 0.000 1.109 10 G HN 0.586 nan 8.290 nan 0.000 0.519 11 L N 1.805 122.913 121.223 -0.192 0.000 3.141 11 L HA 0.540 4.881 4.340 0.001 0.000 0.267 11 L C 1.540 178.286 176.870 -0.207 0.000 1.281 11 L CA 0.080 54.750 54.840 -0.284 0.000 1.037 11 L CB 0.152 42.006 42.059 -0.342 0.000 1.407 11 L HN 0.856 nan 8.230 nan 0.000 0.566 12 A N 0.103 122.837 122.820 -0.142 0.000 2.281 12 A HA 0.254 4.575 4.320 0.001 0.000 0.271 12 A C 1.506 179.018 177.584 -0.119 0.000 1.196 12 A CA -0.076 51.900 52.037 -0.102 0.000 0.807 12 A CB 0.351 19.310 19.000 -0.068 0.000 1.138 12 A HN 0.019 nan 8.150 nan 0.000 0.506 13 V N -0.146 119.720 119.914 -0.080 0.000 2.427 13 V HA -0.234 3.887 4.120 0.001 0.000 0.248 13 V C 2.524 178.568 176.094 -0.083 0.000 1.051 13 V CA 1.954 64.211 62.300 -0.071 0.000 1.048 13 V CB -0.882 30.918 31.823 -0.039 0.000 0.666 13 V HN 0.745 nan 8.190 nan 0.000 0.456 14 M N 0.553 120.107 119.600 -0.077 0.000 2.065 14 M HA -0.122 4.359 4.480 0.001 0.000 0.259 14 M C 2.415 178.654 176.300 -0.102 0.000 1.069 14 M CA 2.319 57.572 55.300 -0.079 0.000 1.110 14 M CB -1.833 30.729 32.600 -0.063 0.000 1.328 14 M HN 0.454 nan 8.290 nan 0.000 0.405 15 G N -0.224 108.503 108.800 -0.122 0.000 2.491 15 G HA2 -0.266 3.695 3.960 0.001 0.000 0.218 15 G HA3 -0.266 3.695 3.960 0.001 0.000 0.218 15 G C 1.479 176.251 174.900 -0.214 0.000 1.180 15 G CA 0.784 45.790 45.100 -0.157 0.000 0.774 15 G HN 0.532 nan 8.290 nan 0.000 0.562 16 Q N -0.006 119.614 119.800 -0.299 0.000 2.045 16 Q HA -0.173 4.167 4.340 0.001 0.000 0.206 16 Q C 2.636 178.589 176.000 -0.079 0.000 0.991 16 Q CA 1.586 57.169 55.803 -0.368 0.000 0.851 16 Q CB -0.230 28.337 28.738 -0.286 0.000 0.911 16 Q HN 0.373 nan 8.270 nan 0.000 0.418 17 N N 0.363 119.018 118.700 -0.075 0.000 2.188 17 N HA -0.117 4.624 4.740 0.001 0.000 0.184 17 N C 1.602 177.067 175.510 -0.074 0.000 1.018 17 N CA 0.656 53.665 53.050 -0.068 0.000 0.858 17 N CB -0.228 38.200 38.487 -0.099 0.000 0.989 17 N HN 0.092 nan 8.380 nan 0.000 0.426 18 L N 0.937 122.111 121.223 -0.081 0.000 2.141 18 L HA 0.076 4.417 4.340 0.001 0.000 0.209 18 L C 1.905 178.755 176.870 -0.033 0.000 1.094 18 L CA 0.918 55.710 54.840 -0.081 0.000 0.763 18 L CB -0.376 41.620 42.059 -0.106 0.000 0.908 18 L HN 0.112 nan 8.230 nan 0.000 0.437 19 I N -1.342 119.226 120.570 -0.003 0.000 2.179 19 I HA -0.336 3.835 4.170 0.001 0.000 0.242 19 I C 2.248 178.438 176.117 0.123 0.000 1.088 19 I CA 1.208 62.553 61.300 0.075 0.000 1.357 19 I CB -0.246 37.829 38.000 0.125 0.000 1.051 19 I HN 0.189 nan 8.210 nan 0.000 0.409 20 L N 0.348 121.649 121.223 0.130 0.000 2.079 20 L HA -0.255 4.086 4.340 0.001 0.000 0.210 20 L C 2.396 179.306 176.870 0.067 0.000 1.081 20 L CA 1.149 56.045 54.840 0.093 0.000 0.752 20 L CB -0.881 41.213 42.059 0.059 0.000 0.896 20 L HN 0.389 nan 8.230 nan 0.000 0.433 21 N N 0.743 119.468 118.700 0.041 0.000 2.058 21 N HA -0.193 4.548 4.740 0.001 0.000 0.191 21 N C 1.924 177.578 175.510 0.239 0.000 1.037 21 N CA 1.752 54.862 53.050 0.101 0.000 0.848 21 N CB -0.121 38.376 38.487 0.016 0.000 1.021 21 N HN 0.228 nan 8.380 nan 0.000 0.422 22 M N 0.116 119.819 119.600 0.173 0.000 2.159 22 M HA -0.156 4.325 4.480 0.001 0.000 0.263 22 M C 1.900 178.405 176.300 0.342 0.000 1.063 22 M CA 1.350 56.826 55.300 0.294 0.000 1.110 22 M CB -0.402 32.300 32.600 0.170 0.000 1.374 22 M HN 0.199 nan 8.290 nan 0.000 0.411 23 N N 0.780 119.602 118.700 0.203 0.000 2.069 23 N HA -0.209 4.532 4.740 0.001 0.000 0.191 23 N C 1.166 176.726 175.510 0.084 0.000 1.031 23 N CA 1.805 54.935 53.050 0.134 0.000 0.852 23 N CB -0.085 38.456 38.487 0.090 0.000 1.018 23 N HN 0.173 nan 8.380 nan 0.000 0.423 24 D N -1.016 119.438 120.400 0.089 0.000 2.265 24 D HA -0.124 4.517 4.640 0.001 0.000 0.208 24 D C 0.789 177.021 176.300 -0.112 0.000 0.977 24 D CA 1.074 55.071 54.000 -0.004 0.000 0.871 24 D CB -0.303 40.498 40.800 0.000 0.000 0.925 24 D HN 0.560 nan 8.370 nan 0.000 0.485 25 H N -1.461 117.601 119.070 -0.014 0.000 2.526 25 H HA 0.335 4.891 4.556 0.001 0.000 0.274 25 H C 1.485 176.527 175.328 -0.477 0.000 0.999 25 H CA 0.572 56.543 56.048 -0.128 0.000 1.157 25 H CB 0.518 30.321 29.762 0.068 0.000 1.407 25 H HN 0.154 nan 8.280 nan 0.000 0.568 26 G N -0.303 108.343 108.800 -0.257 0.000 2.175 26 G HA2 -0.266 3.694 3.960 0.001 0.000 0.244 26 G HA3 -0.266 3.694 3.960 0.001 0.000 0.244 26 G C -0.128 174.576 174.900 -0.328 0.000 0.982 26 G CA -0.293 44.614 45.100 -0.321 0.000 0.641 26 G HN 0.196 nan 8.290 nan 0.000 0.527 27 F N 0.825 120.812 119.950 0.063 0.000 2.396 27 F HA 0.571 5.099 4.527 0.002 0.000 0.343 27 F C 0.925 176.750 175.800 0.041 0.000 1.104 27 F CA -0.960 57.069 58.000 0.048 0.000 1.161 27 F CB 1.483 40.513 39.000 0.050 0.000 1.146 27 F HN -0.047 nan 8.300 nan 0.000 0.522 28 V N 4.581 124.619 119.914 0.207 0.000 2.455 28 V HA 0.317 4.437 4.120 0.001 0.000 0.273 28 V C -0.067 176.106 176.094 0.131 0.000 1.045 28 V CA -0.528 61.850 62.300 0.130 0.000 0.976 28 V CB 0.914 32.789 31.823 0.087 0.000 0.993 28 V HN 0.522 nan 8.190 nan 0.000 0.475 29 V N 4.364 124.348 119.914 0.118 0.000 2.555 29 V HA 0.352 4.472 4.120 0.001 0.000 0.302 29 V C -0.040 176.113 176.094 0.099 0.000 1.038 29 V CA -0.645 61.718 62.300 0.106 0.000 0.887 29 V CB 1.836 33.730 31.823 0.118 0.000 0.991 29 V HN 0.968 nan 8.190 nan 0.000 0.434 30 C N 5.178 124.528 119.300 0.083 0.000 2.265 30 C HA 0.798 5.259 4.460 0.001 0.000 0.332 30 C C 0.814 175.872 174.990 0.113 0.000 1.248 30 C CA -0.449 58.624 59.018 0.090 0.000 1.727 30 C CB -0.597 27.179 27.740 0.060 0.000 2.348 30 C HN 1.065 nan 8.230 nan 0.000 0.519 31 A N 5.847 128.761 122.820 0.157 0.000 2.331 31 A HA 0.792 5.113 4.320 0.001 0.000 0.283 31 A C -0.867 176.856 177.584 0.231 0.000 1.142 31 A CA -0.186 51.949 52.037 0.164 0.000 0.812 31 A CB 0.352 19.490 19.000 0.229 0.000 1.074 31 A HN 0.952 nan 8.150 nan 0.000 0.497 32 F N 1.409 121.346 119.950 -0.022 0.000 2.643 32 F HA 0.693 5.221 4.527 0.002 0.000 0.314 32 F C -0.691 175.081 175.800 -0.048 0.000 1.096 32 F CA -0.759 57.230 58.000 -0.018 0.000 0.953 32 F CB 2.176 41.164 39.000 -0.019 0.000 1.345 32 F HN 0.678 nan 8.300 nan 0.000 0.468 33 N N 1.283 119.406 118.700 -0.962 0.000 2.815 33 N HA 0.276 5.017 4.740 0.001 0.000 0.253 33 N C -0.096 175.003 175.510 -0.684 0.000 1.202 33 N CA -0.594 52.122 53.050 -0.558 0.000 0.925 33 N CB 1.739 40.034 38.487 -0.320 0.000 1.622 33 N HN 0.634 nan 8.380 nan 0.000 0.497 34 R N 0.313 120.727 120.500 -0.144 0.000 2.088 34 R HA -0.018 4.322 4.340 0.001 0.000 0.232 34 R C -0.182 176.048 176.300 -0.116 0.000 1.136 34 R CA 1.722 57.812 56.100 -0.016 0.000 0.926 34 R CB -0.556 29.799 30.300 0.091 0.000 0.837 34 R HN 0.692 nan 8.270 nan 0.000 0.429 35 T N 1.796 116.294 114.554 -0.093 0.000 2.961 35 T HA 0.079 4.429 4.350 0.001 0.000 0.270 35 T C 1.266 175.889 174.700 -0.127 0.000 0.926 35 T CA -0.317 61.733 62.100 -0.082 0.000 1.112 35 T CB 0.927 69.764 68.868 -0.052 0.000 0.926 35 T HN 0.022 nan 8.240 nan 0.000 0.612 36 V N 2.694 122.530 119.914 -0.131 0.000 2.594 36 V HA -0.205 3.916 4.120 0.001 0.000 0.253 36 V C 2.741 178.798 176.094 -0.063 0.000 1.069 36 V CA 1.904 64.118 62.300 -0.144 0.000 1.082 36 V CB -1.020 30.772 31.823 -0.050 0.000 0.680 36 V HN 0.968 nan 8.190 nan 0.000 0.469 37 S N 0.830 116.510 115.700 -0.034 0.000 2.400 37 S HA -0.271 4.200 4.470 0.001 0.000 0.232 37 S C 1.858 176.458 174.600 -0.001 0.000 1.025 37 S CA 1.554 59.750 58.200 -0.007 0.000 0.993 37 S CB -0.503 62.695 63.200 -0.003 0.000 0.808 37 S HN 0.690 nan 8.310 nan 0.000 0.478 38 K N 0.745 121.132 120.400 -0.023 0.000 2.283 38 K HA 0.076 4.397 4.320 0.001 0.000 0.202 38 K C 2.011 178.631 176.600 0.033 0.000 1.048 38 K CA 0.993 57.276 56.287 -0.007 0.000 0.948 38 K CB -0.445 32.028 32.500 -0.046 0.000 0.742 38 K HN 0.287 nan 8.250 nan 0.000 0.458 39 V N 2.509 122.430 119.914 0.011 0.000 2.261 39 V HA -0.263 3.858 4.120 0.001 0.000 0.246 39 V C 1.758 177.935 176.094 0.138 0.000 1.047 39 V CA 1.974 64.324 62.300 0.084 0.000 1.015 39 V CB -0.362 31.494 31.823 0.055 0.000 0.642 39 V HN 0.332 nan 8.190 nan 0.000 0.446 40 D N -0.198 120.252 120.400 0.083 0.000 2.144 40 D HA -0.146 4.495 4.640 0.001 0.000 0.200 40 D C 1.805 178.145 176.300 0.066 0.000 0.978 40 D CA 1.296 55.336 54.000 0.067 0.000 0.833 40 D CB -0.302 40.526 40.800 0.046 0.000 0.961 40 D HN 0.438 nan 8.370 nan 0.000 0.470 41 D N 0.532 120.978 120.400 0.077 0.000 2.123 41 D HA -0.158 4.483 4.640 0.001 0.000 0.196 41 D C 1.801 178.172 176.300 0.119 0.000 0.992 41 D CA 0.498 54.545 54.000 0.077 0.000 0.833 41 D CB -0.548 40.295 40.800 0.071 0.000 0.954 41 D HN 0.176 nan 8.370 nan 0.000 0.455 42 F N 1.220 121.166 119.950 -0.008 0.000 2.102 42 F HA -0.059 4.469 4.527 0.001 0.000 0.298 42 F C 2.106 177.906 175.800 0.000 0.000 1.105 42 F CA 0.996 58.992 58.000 -0.006 0.000 1.239 42 F CB -0.418 38.576 39.000 -0.010 0.000 0.991 42 F HN -0.121 nan 8.300 nan 0.000 0.474 43 L N -0.328 120.843 121.223 -0.086 0.000 2.275 43 L HA -0.107 4.233 4.340 0.001 0.000 0.215 43 L C 2.452 179.234 176.870 -0.145 0.000 1.119 43 L CA 0.967 55.696 54.840 -0.185 0.000 0.790 43 L CB -0.810 41.225 42.059 -0.040 0.000 0.919 43 L HN 0.258 nan 8.230 nan 0.000 0.443 44 A N -1.100 121.673 122.820 -0.078 0.000 2.147 44 A HA 0.023 4.344 4.320 0.001 0.000 0.211 44 A C 1.658 179.204 177.584 -0.063 0.000 1.160 44 A CA 0.456 52.461 52.037 -0.053 0.000 0.781 44 A CB -0.047 18.943 19.000 -0.016 0.000 0.842 44 A HN 0.392 nan 8.150 nan 0.000 0.475 45 N N -0.851 117.798 118.700 -0.085 0.000 3.039 45 N HA 0.017 4.758 4.740 0.001 0.000 0.188 45 N C 1.115 176.554 175.510 -0.118 0.000 1.310 45 N CA 0.477 53.489 53.050 -0.064 0.000 1.111 45 N CB -0.258 38.227 38.487 -0.004 0.000 1.311 45 N HN 0.169 nan 8.380 nan 0.000 0.490 46 E N 1.666 121.799 120.200 -0.112 0.000 2.118 46 E HA -0.048 4.303 4.350 0.001 0.000 0.195 46 E C 1.113 177.526 176.600 -0.312 0.000 0.992 46 E CA 1.285 57.613 56.400 -0.119 0.000 0.804 46 E CB -0.122 29.643 29.700 0.108 0.000 0.741 46 E HN 0.428 nan 8.360 nan 0.000 0.458 47 A N 0.360 122.781 122.820 -0.664 0.000 2.379 47 A HA 0.112 4.433 4.320 0.001 0.000 0.236 47 A C 1.646 179.042 177.584 -0.313 0.000 1.272 47 A CA 0.074 51.745 52.037 -0.609 0.000 0.886 47 A CB -0.259 18.097 19.000 -1.073 0.000 0.962 47 A HN 0.096 nan 8.150 nan 0.000 0.504 48 K N 0.169 120.435 120.400 -0.223 0.000 2.089 48 K HA -0.167 4.153 4.320 0.001 0.000 0.210 48 K C 1.254 177.797 176.600 -0.095 0.000 1.048 48 K CA 1.829 58.036 56.287 -0.132 0.000 0.926 48 K CB -0.296 32.150 32.500 -0.091 0.000 0.714 48 K HN 0.376 nan 8.250 nan 0.000 0.448 49 G N 0.779 109.528 108.800 -0.086 0.000 4.098 49 G HA2 0.143 4.103 3.960 0.001 0.000 0.300 49 G HA3 0.143 4.103 3.960 0.001 0.000 0.300 49 G C -0.284 174.584 174.900 -0.053 0.000 1.187 49 G CA -0.000 45.066 45.100 -0.057 0.000 0.964 49 G HN 0.438 nan 8.290 nan 0.000 0.559 50 T N -3.580 110.934 114.554 -0.067 0.000 2.905 50 T HA 0.456 4.807 4.350 0.001 0.000 0.283 50 T C 0.754 175.435 174.700 -0.031 0.000 1.031 50 T CA -0.749 61.322 62.100 -0.048 0.000 1.002 50 T CB 2.096 70.929 68.868 -0.058 0.000 1.200 50 T HN -0.070 nan 8.240 nan 0.000 0.560 51 K N 0.125 120.520 120.400 -0.009 0.000 2.458 51 K HA 0.313 4.634 4.320 0.001 0.000 0.194 51 K C -0.037 176.576 176.600 0.023 0.000 1.024 51 K CA -0.184 56.107 56.287 0.006 0.000 1.108 51 K CB 0.049 32.558 32.500 0.015 0.000 0.846 51 K HN 0.340 nan 8.250 nan 0.000 0.518 52 V N 2.611 122.535 119.914 0.016 0.000 2.585 52 V HA 0.016 4.136 4.120 0.001 0.000 0.296 52 V C 0.332 176.452 176.094 0.044 0.000 1.035 52 V CA -0.435 61.894 62.300 0.048 0.000 1.084 52 V CB 0.801 32.654 31.823 0.050 0.000 0.953 52 V HN 0.025 nan 8.190 nan 0.000 0.483 53 V N 2.565 122.521 119.914 0.070 0.000 2.769 53 V HA 1.049 5.169 4.120 0.001 0.000 0.312 53 V C 0.338 176.495 176.094 0.104 0.000 1.058 53 V CA -0.268 62.073 62.300 0.068 0.000 0.952 53 V CB 1.585 33.442 31.823 0.056 0.000 1.019 53 V HN 0.896 nan 8.190 nan 0.000 0.445 54 G N 0.735 109.598 108.800 0.105 0.000 2.489 54 G HA2 0.867 4.828 3.960 0.001 0.000 0.327 54 G HA3 0.867 4.828 3.960 0.001 0.000 0.327 54 G C -0.739 174.248 174.900 0.144 0.000 1.189 54 G CA -0.428 44.760 45.100 0.145 0.000 0.962 54 G HN 1.562 nan 8.290 nan 0.000 0.486 55 A N -0.124 122.829 122.820 0.221 0.000 2.413 55 A HA 0.678 4.998 4.320 0.001 0.000 0.307 55 A C 0.212 178.007 177.584 0.351 0.000 1.087 55 A CA -0.586 51.574 52.037 0.207 0.000 0.750 55 A CB 1.840 20.889 19.000 0.082 0.000 1.296 55 A HN 0.436 nan 8.150 nan 0.000 0.423 56 Q N 0.133 120.085 119.800 0.254 0.000 2.282 56 Q HA 0.184 4.525 4.340 0.001 0.000 0.206 56 Q C 0.190 176.431 176.000 0.402 0.000 0.878 56 Q CA 0.894 56.875 55.803 0.296 0.000 0.944 56 Q CB 0.482 29.313 28.738 0.155 0.000 1.100 56 Q HN 0.923 nan 8.270 nan 0.000 0.509 57 S N -2.076 113.766 115.700 0.237 0.000 2.588 57 S HA 0.419 4.890 4.470 0.001 0.000 0.269 57 S C 0.536 174.775 174.600 -0.601 0.000 1.157 57 S CA -0.776 57.429 58.200 0.008 0.000 0.824 57 S CB 0.583 63.801 63.200 0.030 0.000 1.126 57 S HN 0.022 nan 8.310 nan 0.000 0.464 58 L N 1.384 122.249 121.223 -0.597 0.000 2.042 58 L HA -0.106 4.235 4.340 0.001 0.000 0.210 58 L C 2.829 179.527 176.870 -0.287 0.000 1.076 58 L CA 2.045 56.556 54.840 -0.548 0.000 0.749 58 L CB -0.531 41.413 42.059 -0.192 0.000 0.893 58 L HN 0.956 nan 8.230 nan 0.000 0.432 59 K N 0.553 120.857 120.400 -0.160 0.000 2.032 59 K HA -0.281 4.040 4.320 0.001 0.000 0.209 59 K C 1.996 178.540 176.600 -0.094 0.000 1.048 59 K CA 2.043 58.275 56.287 -0.092 0.000 0.927 59 K CB -0.112 32.360 32.500 -0.048 0.000 0.712 59 K HN 0.321 nan 8.250 nan 0.000 0.441 60 E N 0.471 120.609 120.200 -0.104 0.000 2.072 60 E HA -0.211 4.139 4.350 0.001 0.000 0.191 60 E C 2.159 178.706 176.600 -0.088 0.000 0.985 60 E CA 1.046 57.404 56.400 -0.070 0.000 0.801 60 E CB -0.116 29.564 29.700 -0.033 0.000 0.750 60 E HN 0.414 nan 8.360 nan 0.000 0.452 61 M N 0.535 120.031 119.600 -0.172 0.000 2.086 61 M HA -0.160 4.321 4.480 0.001 0.000 0.261 61 M C 2.116 178.356 176.300 -0.100 0.000 1.067 61 M CA 1.376 56.585 55.300 -0.151 0.000 1.116 61 M CB -0.034 32.388 32.600 -0.297 0.000 1.348 61 M HN 0.096 nan 8.290 nan 0.000 0.407 62 V N 0.983 120.830 119.914 -0.112 0.000 2.392 62 V HA -0.262 3.859 4.120 0.001 0.000 0.249 62 V C 2.548 178.614 176.094 -0.046 0.000 1.059 62 V CA 2.164 64.423 62.300 -0.069 0.000 1.051 62 V CB -0.970 30.815 31.823 -0.063 0.000 0.658 62 V HN 0.765 nan 8.190 nan 0.000 0.455 63 S N -0.568 115.105 115.700 -0.044 0.000 2.481 63 S HA -0.128 4.343 4.470 0.001 0.000 0.231 63 S C 1.714 176.302 174.600 -0.019 0.000 0.996 63 S CA 0.889 59.072 58.200 -0.028 0.000 0.942 63 S CB -0.351 62.834 63.200 -0.024 0.000 0.768 63 S HN 0.637 nan 8.310 nan 0.000 0.520 64 K N 0.450 120.839 120.400 -0.018 0.000 2.444 64 K HA 0.308 4.629 4.320 0.001 0.000 0.193 64 K C -0.087 176.512 176.600 -0.001 0.000 1.024 64 K CA 0.011 56.296 56.287 -0.004 0.000 1.077 64 K CB -0.030 32.472 32.500 0.004 0.000 0.833 64 K HN 0.405 nan 8.250 nan 0.000 0.517 65 L N 1.989 123.206 121.223 -0.010 0.000 2.312 65 L HA 0.200 4.540 4.340 0.001 0.000 0.281 65 L C 0.037 176.901 176.870 -0.011 0.000 1.070 65 L CA -0.578 54.257 54.840 -0.009 0.000 0.805 65 L CB 1.047 43.094 42.059 -0.019 0.000 1.174 65 L HN -0.049 nan 8.230 nan 0.000 0.434 66 K N 2.968 123.365 120.400 -0.005 0.000 2.326 66 K HA 0.202 4.522 4.320 0.001 0.000 0.275 66 K C -0.437 176.146 176.600 -0.028 0.000 1.018 66 K CA -0.325 55.957 56.287 -0.009 0.000 0.962 66 K CB 0.718 33.221 32.500 0.005 0.000 0.953 66 K HN 0.413 nan 8.250 nan 0.000 0.475 67 K N 2.895 123.274 120.400 -0.035 0.000 2.174 67 K HA 0.213 4.534 4.320 0.001 0.000 0.275 67 K C -2.217 174.334 176.600 -0.082 0.000 1.015 67 K CA -1.800 54.451 56.287 -0.061 0.000 0.933 67 K CB 0.536 33.005 32.500 -0.051 0.000 1.025 67 K HN 0.368 nan 8.250 nan 0.000 0.463 68 P HA 0.088 nan 4.420 nan 0.000 0.271 68 P C -0.817 176.399 177.300 -0.141 0.000 1.226 68 P CA -0.132 62.847 63.100 -0.202 0.000 0.765 68 P CB 0.481 31.922 31.700 -0.432 0.000 0.835 69 R N 3.009 123.453 120.500 -0.093 0.000 2.623 69 R HA 0.241 4.582 4.340 0.001 0.000 0.271 69 R C 0.274 176.537 176.300 -0.060 0.000 1.043 69 R CA 0.089 56.153 56.100 -0.062 0.000 1.083 69 R CB 0.405 30.680 30.300 -0.043 0.000 0.974 69 R HN 0.434 nan 8.270 nan 0.000 0.436 70 R N 2.688 123.163 120.500 -0.043 0.000 2.451 70 R HA 0.377 4.718 4.340 0.001 0.000 0.307 70 R C -0.986 175.307 176.300 -0.012 0.000 0.965 70 R CA -0.622 55.459 56.100 -0.032 0.000 0.865 70 R CB 1.245 31.523 30.300 -0.036 0.000 1.174 70 R HN 0.401 nan 8.270 nan 0.000 0.455 71 I N 4.162 124.730 120.570 -0.002 0.000 2.436 71 I HA 0.392 4.563 4.170 0.001 0.000 0.289 71 I C -0.276 175.848 176.117 0.011 0.000 1.010 71 I CA -0.385 60.916 61.300 0.001 0.000 1.098 71 I CB 1.865 39.865 38.000 -0.001 0.000 1.266 71 I HN 0.437 nan 8.210 nan 0.000 0.434 72 I N 6.411 126.985 120.570 0.008 0.000 2.336 72 I HA 0.387 4.558 4.170 0.001 0.000 0.292 72 I C -0.610 175.493 176.117 -0.025 0.000 0.991 72 I CA -0.580 60.729 61.300 0.015 0.000 1.227 72 I CB 1.047 39.062 38.000 0.024 0.000 1.366 72 I HN 0.289 nan 8.210 nan 0.000 0.466 73 L N 7.281 128.499 121.223 -0.008 0.000 2.282 73 L HA 0.455 4.796 4.340 0.001 0.000 0.288 73 L C -0.038 176.826 176.870 -0.010 0.000 1.033 73 L CA -0.356 54.459 54.840 -0.042 0.000 0.807 73 L CB 1.445 43.519 42.059 0.024 0.000 1.209 73 L HN 0.571 nan 8.230 nan 0.000 0.423 74 L N 5.158 126.353 121.223 -0.048 0.000 3.059 74 L HA 0.242 4.583 4.340 0.001 0.000 0.298 74 L C -0.029 176.830 176.870 -0.018 0.000 1.304 74 L CA -0.274 54.551 54.840 -0.025 0.000 0.855 74 L CB 1.195 43.222 42.059 -0.052 0.000 1.266 74 L HN 0.463 nan 8.230 nan 0.000 0.572 75 V N -2.631 117.294 119.914 0.019 0.000 3.234 75 V HA 0.395 4.516 4.120 0.001 0.000 0.317 75 V C 0.468 176.607 176.094 0.075 0.000 1.081 75 V CA -0.983 61.359 62.300 0.069 0.000 1.037 75 V CB 1.370 33.305 31.823 0.187 0.000 1.148 75 V HN 0.383 nan 8.190 nan 0.000 0.453 76 K N 1.652 122.098 120.400 0.077 0.000 2.484 76 K HA 0.291 4.612 4.320 0.001 0.000 0.280 76 K C 0.332 176.977 176.600 0.075 0.000 1.013 76 K CA 0.320 56.644 56.287 0.061 0.000 1.029 76 K CB 0.462 32.993 32.500 0.051 0.000 0.902 76 K HN 1.221 nan 8.250 nan 0.000 0.481 77 A N 3.608 126.469 122.820 0.069 0.000 2.555 77 A HA 0.415 4.736 4.320 0.001 0.000 0.233 77 A C 0.879 178.510 177.584 0.077 0.000 1.060 77 A CA 0.826 52.912 52.037 0.081 0.000 0.759 77 A CB -0.395 18.676 19.000 0.118 0.000 0.995 77 A HN 1.202 nan 8.150 nan 0.000 0.506 78 G N 0.334 109.171 108.800 0.062 0.000 2.395 78 G HA2 -0.041 3.920 3.960 0.001 0.000 0.201 78 G HA3 -0.041 3.920 3.960 0.001 0.000 0.201 78 G C 0.628 175.547 174.900 0.032 0.000 1.206 78 G CA 0.729 45.853 45.100 0.040 0.000 1.210 78 G HN 1.101 nan 8.290 nan 0.000 0.557 79 Q N 0.574 120.386 119.800 0.019 0.000 2.170 79 Q HA 0.243 4.583 4.340 0.001 0.000 0.203 79 Q C 2.857 178.866 176.000 0.014 0.000 0.976 79 Q CA 3.192 58.999 55.803 0.005 0.000 0.858 79 Q CB -0.755 27.978 28.738 -0.009 0.000 0.907 79 Q HN 1.516 nan 8.270 nan 0.000 0.433 80 A N -0.470 122.371 122.820 0.036 0.000 1.927 80 A HA -0.213 4.108 4.320 0.001 0.000 0.220 80 A C 2.234 179.917 177.584 0.166 0.000 1.185 80 A CA 1.940 54.016 52.037 0.065 0.000 0.639 80 A CB -0.987 18.084 19.000 0.118 0.000 0.820 80 A HN 0.293 nan 8.150 nan 0.000 0.451 81 V N 0.440 120.456 119.914 0.169 0.000 2.307 81 V HA -0.237 3.883 4.120 0.001 0.000 0.245 81 V C 2.182 178.374 176.094 0.164 0.000 1.045 81 V CA 2.202 64.631 62.300 0.215 0.000 1.024 81 V CB -0.791 31.132 31.823 0.168 0.000 0.651 81 V HN 0.535 nan 8.190 nan 0.000 0.449 82 D N 0.009 120.451 120.400 0.071 0.000 2.144 82 D HA -0.169 4.472 4.640 0.001 0.000 0.199 82 D C 1.884 178.194 176.300 0.017 0.000 0.984 82 D CA 1.449 55.462 54.000 0.021 0.000 0.834 82 D CB -0.239 40.552 40.800 -0.015 0.000 0.955 82 D HN 0.439 nan 8.370 nan 0.000 0.465 83 D N 0.200 120.590 120.400 -0.018 0.000 2.104 83 D HA -0.154 4.487 4.640 0.001 0.000 0.194 83 D C 2.008 178.249 176.300 -0.099 0.000 0.994 83 D CA 0.730 54.667 54.000 -0.106 0.000 0.830 83 D CB -0.463 40.206 40.800 -0.218 0.000 0.959 83 D HN 0.214 nan 8.370 nan 0.000 0.452 84 F N 0.858 120.838 119.950 0.049 0.000 2.146 84 F HA -0.013 4.514 4.527 0.001 0.000 0.298 84 F C 2.475 178.306 175.800 0.052 0.000 1.096 84 F CA 0.366 58.406 58.000 0.066 0.000 1.275 84 F CB -0.499 38.556 39.000 0.091 0.000 1.008 84 F HN -0.077 nan 8.300 nan 0.000 0.480 85 I N -0.113 120.591 120.570 0.225 0.000 2.163 85 I HA -0.303 3.867 4.170 0.001 0.000 0.243 85 I C 2.200 178.360 176.117 0.072 0.000 1.085 85 I CA 1.563 62.939 61.300 0.127 0.000 1.347 85 I CB -0.515 37.514 38.000 0.048 0.000 1.044 85 I HN 0.181 nan 8.210 nan 0.000 0.408 86 E N 0.835 121.060 120.200 0.042 0.000 2.077 86 E HA -0.234 4.117 4.350 0.001 0.000 0.193 86 E C 2.132 178.746 176.600 0.024 0.000 0.989 86 E CA 1.176 57.585 56.400 0.014 0.000 0.800 86 E CB -0.025 29.670 29.700 -0.009 0.000 0.746 86 E HN 0.462 nan 8.360 nan 0.000 0.452 87 K N 0.264 120.689 120.400 0.041 0.000 2.217 87 K HA -0.031 4.290 4.320 0.001 0.000 0.202 87 K C 2.083 178.719 176.600 0.060 0.000 1.051 87 K CA 0.581 56.896 56.287 0.047 0.000 0.952 87 K CB 0.101 32.635 32.500 0.056 0.000 0.736 87 K HN 0.094 nan 8.250 nan 0.000 0.453 88 L N 0.347 121.622 121.223 0.087 0.000 2.095 88 L HA -0.122 4.219 4.340 0.001 0.000 0.204 88 L C 2.216 179.111 176.870 0.040 0.000 1.080 88 L CA 0.533 55.414 54.840 0.069 0.000 0.759 88 L CB -0.311 41.806 42.059 0.097 0.000 0.914 88 L HN -0.068 nan 8.230 nan 0.000 0.439 89 V N 0.523 120.460 119.914 0.039 0.000 2.324 89 V HA -0.211 3.909 4.120 0.001 0.000 0.250 89 V C -0.270 175.831 176.094 0.013 0.000 1.060 89 V CA 2.081 64.395 62.300 0.024 0.000 1.042 89 V CB -1.700 30.133 31.823 0.016 0.000 0.650 89 V HN 0.380 nan 8.190 nan 0.000 0.450 90 P HA -0.040 nan 4.420 nan 0.000 0.226 90 P C 1.579 178.879 177.300 0.000 0.000 1.153 90 P CA 1.095 64.197 63.100 0.004 0.000 0.777 90 P CB -0.028 31.674 31.700 0.003 0.000 0.794 91 L N -2.292 118.932 121.223 0.001 0.000 2.509 91 L HA 0.105 4.446 4.340 0.001 0.000 0.222 91 L C 1.068 177.933 176.870 -0.009 0.000 1.123 91 L CA 0.122 54.958 54.840 -0.007 0.000 0.856 91 L CB -0.238 41.813 42.059 -0.014 0.000 0.985 91 L HN -0.033 nan 8.230 nan 0.000 0.456 92 L N -0.913 120.308 121.223 -0.003 0.000 2.358 92 L HA 0.370 4.711 4.340 0.001 0.000 0.268 92 L C -0.494 176.371 176.870 -0.009 0.000 1.032 92 L CA -0.724 54.112 54.840 -0.006 0.000 0.805 92 L CB 1.094 43.155 42.059 0.003 0.000 1.253 92 L HN -0.089 nan 8.230 nan 0.000 0.452 93 D N -0.586 119.805 120.400 -0.016 0.000 2.326 93 D HA 0.238 4.878 4.640 0.001 0.000 0.248 93 D C -0.471 175.817 176.300 -0.019 0.000 1.001 93 D CA -0.392 53.597 54.000 -0.018 0.000 0.961 93 D CB 1.639 42.425 40.800 -0.024 0.000 1.183 93 D HN 0.393 nan 8.370 nan 0.000 0.502 94 T N 0.236 114.780 114.554 -0.016 0.000 2.866 94 T HA 0.360 4.711 4.350 0.001 0.000 0.293 94 T C 1.282 175.963 174.700 -0.031 0.000 1.005 94 T CA 1.056 63.147 62.100 -0.016 0.000 1.162 94 T CB 0.372 69.234 68.868 -0.012 0.000 0.968 94 T HN 0.661 nan 8.240 nan 0.000 0.530 95 G N 3.142 111.923 108.800 -0.031 0.000 2.194 95 G HA2 -0.197 3.764 3.960 0.001 0.000 0.236 95 G HA3 -0.197 3.764 3.960 0.001 0.000 0.236 95 G C -0.063 174.778 174.900 -0.098 0.000 0.987 95 G CA -0.244 44.819 45.100 -0.062 0.000 0.635 95 G HN 0.672 nan 8.290 nan 0.000 0.520 96 D N 0.096 120.458 120.400 -0.064 0.000 2.360 96 D HA 0.585 5.226 4.640 0.001 0.000 0.242 96 D C 0.771 177.051 176.300 -0.034 0.000 1.184 96 D CA 0.361 54.323 54.000 -0.063 0.000 0.930 96 D CB 0.886 41.664 40.800 -0.036 0.000 1.161 96 D HN 0.333 nan 8.370 nan 0.000 0.447 97 I N 1.383 121.933 120.570 -0.033 0.000 2.499 97 I HA 0.326 4.496 4.170 0.001 0.000 0.288 97 I C -0.469 175.658 176.117 0.016 0.000 1.048 97 I CA -0.553 60.741 61.300 -0.011 0.000 1.062 97 I CB 1.610 39.578 38.000 -0.053 0.000 1.238 97 I HN 0.044 nan 8.210 nan 0.000 0.426 98 I N 6.911 127.520 120.570 0.066 0.000 2.378 98 I HA 0.444 4.615 4.170 0.001 0.000 0.291 98 I C -0.752 175.308 176.117 -0.096 0.000 0.992 98 I CA -0.579 60.771 61.300 0.084 0.000 1.154 98 I CB 1.855 40.019 38.000 0.274 0.000 1.315 98 I HN 0.365 nan 8.210 nan 0.000 0.448 99 I N 5.104 125.618 120.570 -0.093 0.000 2.382 99 I HA 0.195 4.366 4.170 0.001 0.000 0.285 99 I C -0.350 175.717 176.117 -0.084 0.000 1.007 99 I CA -0.274 60.922 61.300 -0.174 0.000 1.142 99 I CB 1.264 39.255 38.000 -0.015 0.000 1.289 99 I HN 0.434 nan 8.210 nan 0.000 0.453 100 D N 4.936 125.240 120.400 -0.160 0.000 2.365 100 D HA 0.288 4.929 4.640 0.001 0.000 0.237 100 D C 1.036 177.430 176.300 0.156 0.000 1.190 100 D CA -0.160 53.897 54.000 0.094 0.000 0.867 100 D CB 1.459 42.442 40.800 0.306 0.000 1.050 100 D HN 0.679 nan 8.370 nan 0.000 0.491 101 G N 2.596 111.476 108.800 0.134 0.000 3.088 101 G HA2 0.253 4.213 3.960 0.001 0.000 0.217 101 G HA3 0.253 4.213 3.960 0.001 0.000 0.217 101 G C 0.792 175.787 174.900 0.159 0.000 1.159 101 G CA 0.035 45.216 45.100 0.136 0.000 0.760 101 G HN 0.558 nan 8.290 nan 0.000 0.550 102 G N -0.145 108.746 108.800 0.151 0.000 2.621 102 G HA2 0.201 4.162 3.960 0.001 0.000 0.271 102 G HA3 0.201 4.162 3.960 0.001 0.000 0.271 102 G C 0.051 174.995 174.900 0.072 0.000 1.236 102 G CA -0.709 44.445 45.100 0.090 0.000 0.958 102 G HN 0.118 nan 8.290 nan 0.000 0.512 103 N N 0.791 119.513 118.700 0.038 0.000 3.050 103 N HA 0.096 4.836 4.740 0.001 0.000 0.289 103 N C -0.117 175.431 175.510 0.064 0.000 1.209 103 N CA 0.144 53.221 53.050 0.045 0.000 1.154 103 N CB 0.276 38.777 38.487 0.023 0.000 1.444 103 N HN 0.158 nan 8.380 nan 0.000 0.529 104 S N 0.663 116.217 115.700 -0.244 0.000 2.586 104 S HA 0.160 4.631 4.470 0.001 0.000 0.274 104 S C 0.293 174.796 174.600 -0.162 0.000 1.281 104 S CA -0.651 57.424 58.200 -0.210 0.000 1.035 104 S CB 1.601 64.603 63.200 -0.329 0.000 0.962 104 S HN 0.355 nan 8.310 nan 0.000 0.512 105 E N 1.169 121.219 120.200 -0.250 0.000 2.414 105 E HA -0.033 4.318 4.350 0.001 0.000 0.263 105 E C 0.475 176.935 176.600 -0.233 0.000 1.000 105 E CA 0.040 56.140 56.400 -0.500 0.000 0.914 105 E CB 0.276 29.494 29.700 -0.804 0.000 0.948 105 E HN 0.809 nan 8.360 nan 0.000 0.444 106 Y N 2.895 123.174 120.300 -0.034 0.000 2.333 106 Y HA -0.154 4.396 4.550 0.000 0.000 0.290 106 Y C 1.827 177.760 175.900 0.056 0.000 1.144 106 Y CA 0.864 59.032 58.100 0.114 0.000 1.228 106 Y CB -0.186 38.448 38.460 0.289 0.000 0.985 106 Y HN 0.341 nan 8.280 nan 0.000 0.542 107 R N 0.690 120.823 120.500 -0.612 0.000 2.092 107 R HA -0.135 4.206 4.340 0.001 0.000 0.231 107 R C 1.662 177.868 176.300 -0.156 0.000 1.119 107 R CA 1.507 57.397 56.100 -0.350 0.000 0.970 107 R CB -0.357 29.681 30.300 -0.437 0.000 0.864 107 R HN 0.445 nan 8.270 nan 0.000 0.440 108 D N -0.212 120.085 120.400 -0.171 0.000 2.117 108 D HA -0.111 4.529 4.640 0.001 0.000 0.197 108 D C 1.735 178.026 176.300 -0.015 0.000 0.987 108 D CA 1.507 55.450 54.000 -0.096 0.000 0.829 108 D CB -0.184 40.551 40.800 -0.107 0.000 0.961 108 D HN 0.184 nan 8.370 nan 0.000 0.460 109 T N 0.254 114.857 114.554 0.081 0.000 2.777 109 T HA -0.099 4.251 4.350 0.001 0.000 0.266 109 T C 2.042 176.855 174.700 0.190 0.000 1.040 109 T CA 1.460 63.714 62.100 0.255 0.000 1.141 109 T CB -0.434 68.691 68.868 0.429 0.000 0.868 109 T HN 0.124 nan 8.240 nan 0.000 0.444 110 T N 1.717 116.351 114.554 0.134 0.000 2.684 110 T HA -0.125 4.225 4.350 0.001 0.000 0.267 110 T C 2.045 176.776 174.700 0.052 0.000 1.036 110 T CA 1.383 63.552 62.100 0.115 0.000 1.148 110 T CB -0.196 68.743 68.868 0.118 0.000 0.863 110 T HN 0.392 nan 8.240 nan 0.000 0.436 111 R N 0.983 121.483 120.500 0.001 0.000 2.080 111 R HA -0.097 4.244 4.340 0.001 0.000 0.236 111 R C 2.507 178.752 176.300 -0.092 0.000 1.137 111 R CA 1.587 57.663 56.100 -0.039 0.000 0.943 111 R CB -0.156 30.109 30.300 -0.058 0.000 0.846 111 R HN 0.296 nan 8.270 nan 0.000 0.431 112 R N -0.092 120.302 120.500 -0.178 0.000 2.091 112 R HA -0.162 4.179 4.340 0.001 0.000 0.238 112 R C 2.666 178.738 176.300 -0.380 0.000 1.136 112 R CA 1.569 57.425 56.100 -0.407 0.000 0.959 112 R CB -0.873 28.953 30.300 -0.790 0.000 0.856 112 R HN 0.397 nan 8.270 nan 0.000 0.437 113 C N 0.763 119.984 119.300 -0.132 0.000 2.413 113 C HA -0.087 4.374 4.460 0.001 0.000 0.276 113 C C 2.553 177.579 174.990 0.060 0.000 1.248 113 C CA 0.979 60.071 59.018 0.124 0.000 1.742 113 C CB -0.669 27.233 27.740 0.269 0.000 2.017 113 C HN 0.396 nan 8.230 nan 0.000 0.481 114 R N 0.361 120.878 120.500 0.029 0.000 2.075 114 R HA -0.109 4.231 4.340 0.001 0.000 0.232 114 R C 1.968 178.268 176.300 0.000 0.000 1.126 114 R CA 2.090 58.206 56.100 0.027 0.000 0.963 114 R CB -0.533 29.784 30.300 0.028 0.000 0.858 114 R HN 0.724 nan 8.270 nan 0.000 0.435 115 D N 0.481 120.859 120.400 -0.036 0.000 2.097 115 D HA -0.136 4.505 4.640 0.001 0.000 0.195 115 D C 1.766 178.045 176.300 -0.035 0.000 0.989 115 D CA 1.081 55.055 54.000 -0.043 0.000 0.827 115 D CB 0.052 40.810 40.800 -0.070 0.000 0.966 115 D HN 0.103 nan 8.370 nan 0.000 0.456 116 L N -0.101 121.092 121.223 -0.051 0.000 2.093 116 L HA -0.077 4.264 4.340 0.001 0.000 0.208 116 L C 2.581 179.467 176.870 0.027 0.000 1.085 116 L CA 0.916 55.748 54.840 -0.013 0.000 0.755 116 L CB -0.458 41.596 42.059 -0.008 0.000 0.904 116 L HN 0.074 nan 8.230 nan 0.000 0.435 117 K N 0.758 121.182 120.400 0.041 0.000 2.032 117 K HA -0.220 4.100 4.320 0.001 0.000 0.209 117 K C 2.097 178.713 176.600 0.028 0.000 1.048 117 K CA 1.569 57.884 56.287 0.047 0.000 0.927 117 K CB -0.150 32.383 32.500 0.056 0.000 0.712 117 K HN 0.263 nan 8.250 nan 0.000 0.441 118 A N 0.939 123.770 122.820 0.018 0.000 2.070 118 A HA -0.134 4.187 4.320 0.001 0.000 0.220 118 A C 1.379 178.967 177.584 0.008 0.000 1.159 118 A CA 1.487 53.531 52.037 0.011 0.000 0.656 118 A CB -0.200 18.804 19.000 0.006 0.000 0.800 118 A HN 0.350 nan 8.150 nan 0.000 0.453 119 K N -1.435 118.970 120.400 0.008 0.000 2.397 119 K HA 0.315 4.636 4.320 0.001 0.000 0.202 119 K C 0.862 177.468 176.600 0.010 0.000 1.022 119 K CA 0.369 56.660 56.287 0.006 0.000 1.141 119 K CB 0.194 32.694 32.500 0.002 0.000 0.857 119 K HN 0.558 nan 8.250 nan 0.000 0.514 120 G N 1.812 110.620 108.800 0.015 0.000 2.143 120 G HA2 -0.265 3.696 3.960 0.001 0.000 0.249 120 G HA3 -0.265 3.696 3.960 0.001 0.000 0.249 120 G C 0.047 174.958 174.900 0.018 0.000 0.981 120 G CA -0.144 44.964 45.100 0.013 0.000 0.665 120 G HN 0.292 nan 8.290 nan 0.000 0.528 121 I N 1.096 121.686 120.570 0.033 0.000 2.377 121 I HA 0.413 4.584 4.170 0.001 0.000 0.293 121 I C 0.577 176.747 176.117 0.088 0.000 0.987 121 I CA -0.991 60.339 61.300 0.051 0.000 1.185 121 I CB 1.437 39.473 38.000 0.059 0.000 1.341 121 I HN -0.065 nan 8.210 nan 0.000 0.455 122 L N 6.564 127.836 121.223 0.082 0.000 2.260 122 L HA 0.357 4.698 4.340 0.001 0.000 0.289 122 L C -0.662 176.308 176.870 0.167 0.000 1.057 122 L CA -0.228 54.673 54.840 0.102 0.000 0.811 122 L CB 0.383 42.469 42.059 0.045 0.000 1.184 122 L HN 0.427 nan 8.230 nan 0.000 0.429 123 F N 4.371 124.349 119.950 0.048 0.000 2.444 123 F HA 0.593 5.120 4.527 0.000 0.000 0.342 123 F C -0.458 175.393 175.800 0.084 0.000 1.121 123 F CA -0.616 57.419 58.000 0.058 0.000 0.997 123 F CB 1.478 40.510 39.000 0.054 0.000 1.130 123 F HN 0.043 nan 8.300 nan 0.000 0.454 124 V N 5.189 124.712 119.914 -0.651 0.000 2.448 124 V HA 0.644 4.765 4.120 0.001 0.000 0.295 124 V C 0.164 175.779 176.094 -0.799 0.000 1.025 124 V CA -0.709 61.309 62.300 -0.471 0.000 0.859 124 V CB 1.463 33.162 31.823 -0.207 0.000 0.988 124 V HN 0.952 nan 8.190 nan 0.000 0.431 125 G N 2.195 110.674 108.800 -0.534 0.000 2.384 125 G HA2 0.540 4.501 3.960 0.001 0.000 0.316 125 G HA3 0.540 4.501 3.960 0.001 0.000 0.316 125 G C -0.546 173.922 174.900 -0.721 0.000 1.160 125 G CA -0.313 44.514 45.100 -0.455 0.000 0.936 125 G HN 0.670 nan 8.290 nan 0.000 0.455 126 S N 1.599 116.953 115.700 -0.577 0.000 2.561 126 S HA 0.724 5.195 4.470 0.001 0.000 0.303 126 S C 0.550 175.018 174.600 -0.222 0.000 1.110 126 S CA -0.268 57.714 58.200 -0.363 0.000 1.034 126 S CB 1.145 64.343 63.200 -0.003 0.000 1.010 126 S HN 0.953 nan 8.310 nan 0.000 0.482 127 G N 2.241 110.935 108.800 -0.177 0.000 2.483 127 G HA2 0.522 4.482 3.960 0.001 0.000 0.248 127 G HA3 0.522 4.482 3.960 0.001 0.000 0.248 127 G C -0.903 173.999 174.900 0.003 0.000 1.248 127 G CA -0.302 44.810 45.100 0.020 0.000 0.838 127 G HN 0.795 nan 8.290 nan 0.000 0.566 128 V N 0.946 120.861 119.914 0.001 0.000 2.531 128 V HA 0.582 4.702 4.120 0.001 0.000 0.301 128 V C 0.109 176.148 176.094 -0.091 0.000 1.034 128 V CA -0.718 61.555 62.300 -0.046 0.000 0.865 128 V CB 1.457 33.252 31.823 -0.047 0.000 0.995 128 V HN 0.795 nan 8.190 nan 0.000 0.424 129 S N 2.350 117.972 115.700 -0.131 0.000 2.607 129 S HA 0.847 5.318 4.470 0.001 0.000 0.303 129 S C 0.717 175.246 174.600 -0.117 0.000 1.086 129 S CA 0.533 58.618 58.200 -0.191 0.000 0.995 129 S CB 1.710 64.650 63.200 -0.433 0.000 1.084 129 S HN 1.673 nan 8.310 nan 0.000 0.507 130 G N 0.946 109.688 108.800 -0.097 0.000 2.227 130 G HA2 0.204 4.164 3.960 0.001 0.000 0.168 130 G HA3 0.204 4.164 3.960 0.001 0.000 0.168 130 G C 1.098 175.960 174.900 -0.064 0.000 1.006 130 G CA 0.315 45.358 45.100 -0.096 0.000 0.684 130 G HN 1.877 nan 8.290 nan 0.000 0.489 131 G N 0.262 109.038 108.800 -0.041 0.000 2.598 131 G HA2 -0.265 3.696 3.960 0.001 0.000 0.269 131 G HA3 -0.265 3.696 3.960 0.001 0.000 0.269 131 G C 0.752 175.635 174.900 -0.028 0.000 1.289 131 G CA 1.019 46.105 45.100 -0.022 0.000 0.926 131 G HN 0.829 nan 8.290 nan 0.000 0.567 132 E N -0.425 119.766 120.200 -0.015 0.000 2.049 132 E HA -0.176 4.175 4.350 0.001 0.000 0.198 132 E C 2.363 178.950 176.600 -0.021 0.000 1.007 132 E CA 1.673 58.060 56.400 -0.021 0.000 0.809 132 E CB -0.122 29.576 29.700 -0.003 0.000 0.749 132 E HN 0.522 nan 8.360 nan 0.000 0.450 133 E N -0.009 120.204 120.200 0.021 0.000 2.077 133 E HA -0.119 4.231 4.350 0.001 0.000 0.193 133 E C 1.988 178.627 176.600 0.065 0.000 0.989 133 E CA 1.336 57.788 56.400 0.085 0.000 0.800 133 E CB -0.519 29.248 29.700 0.112 0.000 0.746 133 E HN 0.297 nan 8.360 nan 0.000 0.452 134 G N 0.242 109.040 108.800 -0.003 0.000 2.421 134 G HA2 -0.267 3.694 3.960 0.001 0.000 0.216 134 G HA3 -0.267 3.694 3.960 0.001 0.000 0.216 134 G C 1.696 176.573 174.900 -0.038 0.000 1.171 134 G CA 1.142 46.228 45.100 -0.022 0.000 0.775 134 G HN 0.429 nan 8.290 nan 0.000 0.543 135 A N 0.592 123.371 122.820 -0.067 0.000 1.940 135 A HA -0.047 4.274 4.320 0.001 0.000 0.219 135 A C 2.356 179.863 177.584 -0.128 0.000 1.176 135 A CA 2.217 54.197 52.037 -0.094 0.000 0.631 135 A CB -0.378 18.567 19.000 -0.091 0.000 0.814 135 A HN 0.323 nan 8.150 nan 0.000 0.446 136 R N -1.788 118.595 120.500 -0.194 0.000 2.073 136 R HA -0.061 4.279 4.340 0.001 0.000 0.229 136 R C 1.178 177.167 176.300 -0.518 0.000 1.120 136 R CA 1.884 57.725 56.100 -0.433 0.000 0.967 136 R CB -0.463 29.423 30.300 -0.691 0.000 0.862 136 R HN 0.599 nan 8.270 nan 0.000 0.436 137 Y N -2.840 117.480 120.300 0.033 0.000 2.467 137 Y HA 0.500 5.050 4.550 0.001 0.000 0.259 137 Y C 0.378 176.315 175.900 0.062 0.000 1.084 137 Y CA 0.106 58.240 58.100 0.057 0.000 1.275 137 Y CB 1.448 39.931 38.460 0.038 0.000 1.208 137 Y HN 0.124 nan 8.280 nan 0.000 0.511 138 G N 1.669 110.548 108.800 0.131 0.000 2.213 138 G HA2 0.251 4.211 3.960 0.001 0.000 0.249 138 G HA3 0.251 4.211 3.960 0.001 0.000 0.249 138 G C -3.432 171.476 174.900 0.014 0.000 2.618 138 G CA -0.840 44.301 45.100 0.068 0.000 0.788 138 G HN -0.253 nan 8.290 nan 0.000 0.498 139 P HA 0.504 nan 4.420 nan 0.000 0.281 139 P C 0.168 177.453 177.300 -0.024 0.000 1.264 139 P CA -0.419 62.653 63.100 -0.046 0.000 0.824 139 P CB 1.938 33.587 31.700 -0.085 0.000 1.092 140 S N 0.703 116.396 115.700 -0.012 0.000 2.505 140 S HA 0.339 4.810 4.470 0.001 0.000 0.276 140 S C -0.248 174.355 174.600 0.006 0.000 1.274 140 S CA -0.459 57.761 58.200 0.033 0.000 1.053 140 S CB -0.976 62.274 63.200 0.084 0.000 0.919 140 S HN 0.226 nan 8.310 nan 0.000 0.490 141 L N 5.452 126.693 121.223 0.030 0.000 2.341 141 L HA 0.522 4.863 4.340 0.001 0.000 0.278 141 L C -0.452 176.438 176.870 0.034 0.000 1.005 141 L CA -0.409 54.455 54.840 0.040 0.000 0.818 141 L CB 1.763 43.872 42.059 0.083 0.000 1.259 141 L HN 0.635 nan 8.230 nan 0.000 0.418 142 M N 4.822 124.411 119.600 -0.017 0.000 2.386 142 M HA 0.315 4.796 4.480 0.001 0.000 0.245 142 M C -2.584 173.550 176.300 -0.277 0.000 0.982 142 M CA -1.454 53.763 55.300 -0.138 0.000 0.860 142 M CB 1.174 33.724 32.600 -0.082 0.000 1.371 142 M HN 0.143 nan 8.290 nan 0.000 0.425 143 P HA 0.437 nan 4.420 nan 0.000 0.286 143 P C -0.138 176.487 177.300 -1.126 0.000 1.269 143 P CA -0.067 62.734 63.100 -0.499 0.000 0.787 143 P CB 1.386 32.932 31.700 -0.256 0.000 0.920 144 G N 0.774 108.897 108.800 -1.127 0.000 2.725 144 G HA2 0.745 4.706 3.960 0.001 0.000 0.288 144 G HA3 0.745 4.706 3.960 0.001 0.000 0.288 144 G C -0.456 173.973 174.900 -0.786 0.000 1.399 144 G CA -0.512 43.711 45.100 -1.462 0.000 0.859 144 G HN 0.745 nan 8.290 nan 0.000 0.479 145 G N -0.027 108.544 108.800 -0.383 0.000 2.130 145 G HA2 -0.035 3.926 3.960 0.001 0.000 0.151 145 G HA3 -0.035 3.926 3.960 0.001 0.000 0.151 145 G C -0.664 174.442 174.900 0.344 0.000 1.173 145 G CA -0.029 45.106 45.100 0.059 0.000 1.278 145 G HN 1.054 nan 8.290 nan 0.000 0.479 146 N N 1.527 120.425 118.700 0.330 0.000 2.439 146 N HA 0.229 4.970 4.740 0.001 0.000 0.243 146 N C 1.055 176.593 175.510 0.046 0.000 1.088 146 N CA 0.054 53.226 53.050 0.203 0.000 0.940 146 N CB 1.277 39.851 38.487 0.146 0.000 1.180 146 N HN 0.642 nan 8.380 nan 0.000 0.505 147 K N 2.410 122.747 120.400 -0.105 0.000 2.442 147 K HA -0.125 4.196 4.320 0.001 0.000 0.198 147 K C 1.232 177.551 176.600 -0.468 0.000 1.044 147 K CA 0.914 56.747 56.287 -0.757 0.000 0.948 147 K CB 0.207 32.284 32.500 -0.705 0.000 0.762 147 K HN 0.593 nan 8.250 nan 0.000 0.472 148 E N -0.300 119.778 120.200 -0.203 0.000 2.267 148 E HA -0.182 4.169 4.350 0.001 0.000 0.197 148 E C 1.347 177.910 176.600 -0.063 0.000 0.998 148 E CA 0.915 57.249 56.400 -0.109 0.000 0.830 148 E CB 0.020 29.702 29.700 -0.030 0.000 0.751 148 E HN 0.448 nan 8.360 nan 0.000 0.491 149 A N 0.872 123.639 122.820 -0.088 0.000 2.081 149 A HA -0.086 4.235 4.320 0.001 0.000 0.214 149 A C 1.834 179.369 177.584 -0.082 0.000 1.158 149 A CA 0.243 52.276 52.037 -0.008 0.000 0.724 149 A CB -0.934 18.063 19.000 -0.005 0.000 0.826 149 A HN 0.673 nan 8.150 nan 0.000 0.463 150 W N 1.816 122.815 121.300 -0.500 0.000 2.318 150 W HA -0.170 4.490 4.660 -0.000 0.000 0.313 150 W C -1.451 174.867 176.519 -0.337 0.000 1.221 150 W CA 2.138 59.177 57.345 -0.511 0.000 1.266 150 W CB -1.053 27.892 29.460 -0.858 0.000 1.150 150 W HN 0.267 nan 8.180 nan 0.000 0.496 151 P HA -0.164 nan 4.420 nan 0.000 0.219 151 P C 0.538 177.471 177.300 -0.612 0.000 1.146 151 P CA 2.041 64.754 63.100 -0.646 0.000 0.808 151 P CB -0.402 30.959 31.700 -0.565 0.000 0.779 152 H N -1.864 117.015 119.070 -0.318 0.000 2.551 152 H HA 0.155 4.711 4.556 0.000 0.000 0.266 152 H C 1.675 176.839 175.328 -0.273 0.000 0.964 152 H CA 0.539 56.441 56.048 -0.243 0.000 1.180 152 H CB -0.224 29.437 29.762 -0.168 0.000 1.408 152 H HN 0.241 nan 8.280 nan 0.000 0.563 153 I N -3.231 117.158 120.570 -0.302 0.000 4.403 153 I HA 0.191 4.361 4.170 0.001 0.000 0.331 153 I C 1.814 177.663 176.117 -0.447 0.000 1.327 153 I CA -0.117 60.986 61.300 -0.328 0.000 1.175 153 I CB 0.269 38.003 38.000 -0.443 0.000 1.165 153 I HN -0.134 nan 8.210 nan 0.000 0.413 154 K N 1.734 121.631 120.400 -0.839 0.000 2.044 154 K HA -0.176 4.145 4.320 0.001 0.000 0.210 154 K C 1.874 178.237 176.600 -0.395 0.000 1.049 154 K CA 2.557 58.186 56.287 -1.096 0.000 0.927 154 K CB -0.173 31.550 32.500 -1.294 0.000 0.713 154 K HN 0.388 nan 8.250 nan 0.000 0.443 155 T N 1.351 115.737 114.554 -0.279 0.000 2.737 155 T HA -0.085 4.265 4.350 0.001 0.000 0.265 155 T C 1.864 176.538 174.700 -0.044 0.000 1.038 155 T CA 1.457 63.496 62.100 -0.102 0.000 1.144 155 T CB -0.093 68.743 68.868 -0.053 0.000 0.866 155 T HN 0.188 nan 8.240 nan 0.000 0.434 156 I N -0.077 120.387 120.570 -0.177 0.000 2.202 156 I HA -0.114 4.057 4.170 0.001 0.000 0.242 156 I C 2.074 178.144 176.117 -0.079 0.000 1.091 156 I CA 1.295 62.373 61.300 -0.371 0.000 1.368 156 I CB -0.359 37.319 38.000 -0.537 0.000 1.058 156 I HN 0.149 nan 8.210 nan 0.000 0.410 157 F N 1.351 121.197 119.950 -0.174 0.000 2.075 157 F HA -0.235 4.294 4.527 0.003 0.000 0.297 157 F C 2.753 178.552 175.800 -0.002 0.000 1.113 157 F CA 1.574 59.547 58.000 -0.046 0.000 1.218 157 F CB -0.779 38.279 39.000 0.096 0.000 0.984 157 F HN 0.088 nan 8.300 nan 0.000 0.472 158 Q N -0.619 119.300 119.800 0.197 0.000 2.224 158 Q HA -0.069 4.272 4.340 0.001 0.000 0.203 158 Q C 2.543 178.580 176.000 0.062 0.000 0.970 158 Q CA 0.981 56.869 55.803 0.141 0.000 0.865 158 Q CB -0.622 28.201 28.738 0.141 0.000 0.922 158 Q HN 0.517 nan 8.270 nan 0.000 0.445 159 G N 1.989 110.813 108.800 0.040 0.000 2.421 159 G HA2 -0.234 3.727 3.960 0.001 0.000 0.216 159 G HA3 -0.234 3.727 3.960 0.001 0.000 0.216 159 G C 1.486 176.252 174.900 -0.223 0.000 1.171 159 G CA 1.026 46.144 45.100 0.029 0.000 0.775 159 G HN 0.509 nan 8.290 nan 0.000 0.543 160 I N -1.171 119.217 120.570 -0.303 0.000 3.419 160 I HA 0.548 4.719 4.170 0.001 0.000 0.286 160 I C 1.376 177.372 176.117 -0.201 0.000 1.268 160 I CA -0.199 60.817 61.300 -0.474 0.000 1.414 160 I CB -0.020 37.771 38.000 -0.348 0.000 1.074 160 I HN 0.103 nan 8.210 nan 0.000 0.457 161 A N 2.069 124.826 122.820 -0.104 0.000 2.425 161 A HA 0.624 4.945 4.320 0.001 0.000 0.242 161 A C 0.884 178.480 177.584 0.020 0.000 1.077 161 A CA 0.138 52.157 52.037 -0.030 0.000 0.781 161 A CB -0.020 18.994 19.000 0.024 0.000 1.020 161 A HN 0.558 nan 8.150 nan 0.000 0.494 162 A N 2.171 125.011 122.820 0.033 0.000 2.587 162 A HA 0.397 4.718 4.320 0.001 0.000 0.233 162 A C 0.384 178.008 177.584 0.067 0.000 1.049 162 A CA 0.374 52.445 52.037 0.057 0.000 0.754 162 A CB -0.033 18.996 19.000 0.049 0.000 0.977 162 A HN 0.680 nan 8.150 nan 0.000 0.509 163 K N 0.924 121.368 120.400 0.073 0.000 2.203 163 K HA 0.597 4.918 4.320 0.001 0.000 0.251 163 K C -0.380 176.261 176.600 0.069 0.000 0.944 163 K CA -0.552 55.779 56.287 0.072 0.000 0.829 163 K CB 1.729 34.273 32.500 0.074 0.000 1.125 163 K HN 0.728 nan 8.250 nan 0.000 0.430 164 V N -2.129 117.826 119.914 0.068 0.000 2.919 164 V HA 0.708 4.829 4.120 0.001 0.000 0.316 164 V C 1.157 177.285 176.094 0.057 0.000 1.077 164 V CA 0.020 62.360 62.300 0.067 0.000 0.977 164 V CB 0.969 32.836 31.823 0.074 0.000 1.039 164 V HN 0.936 nan 8.190 nan 0.000 0.441 165 G N 2.233 111.065 108.800 0.053 0.000 2.713 165 G HA2 -0.451 3.510 3.960 0.001 0.000 0.368 165 G HA3 -0.451 3.510 3.960 0.001 0.000 0.368 165 G C 1.170 176.094 174.900 0.040 0.000 1.095 165 G CA 2.222 47.348 45.100 0.044 0.000 0.935 165 G HN 2.157 nan 8.290 nan 0.000 0.696 166 T N 0.318 114.895 114.554 0.038 0.000 3.163 166 T HA 0.487 4.838 4.350 0.001 0.000 0.260 166 T C 2.670 177.393 174.700 0.040 0.000 1.156 166 T CA 2.041 64.162 62.100 0.035 0.000 1.072 166 T CB -0.406 68.481 68.868 0.032 0.000 0.937 166 T HN 2.560 nan 8.240 nan 0.000 0.528 167 G N 1.521 110.349 108.800 0.046 0.000 2.159 167 G HA2 -0.163 3.798 3.960 0.001 0.000 0.227 167 G HA3 -0.163 3.798 3.960 0.001 0.000 0.227 167 G C -0.105 174.830 174.900 0.058 0.000 0.986 167 G CA 0.073 45.205 45.100 0.052 0.000 0.651 167 G HN 0.880 nan 8.290 nan 0.000 0.523 168 E N 1.315 121.550 120.200 0.057 0.000 2.360 168 E HA 0.386 4.737 4.350 0.001 0.000 0.269 168 E C -2.541 174.102 176.600 0.072 0.000 1.022 168 E CA -1.909 54.529 56.400 0.063 0.000 0.887 168 E CB 1.447 31.181 29.700 0.058 0.000 0.990 168 E HN 0.302 nan 8.360 nan 0.000 0.426 169 P HA 0.074 nan 4.420 nan 0.000 0.280 169 P C -0.259 177.095 177.300 0.089 0.000 1.244 169 P CA -0.500 62.654 63.100 0.090 0.000 0.784 169 P CB 0.674 32.441 31.700 0.111 0.000 0.913 170 C N 3.680 123.030 119.300 0.084 0.000 3.057 170 C HA 0.320 4.780 4.460 0.001 0.000 0.563 170 C C 0.822 175.860 174.990 0.081 0.000 1.129 170 C CA -0.174 58.894 59.018 0.084 0.000 1.284 170 C CB -2.113 25.685 27.740 0.096 0.000 1.532 170 C HN 0.621 nan 8.230 nan 0.000 0.631 171 C N 2.484 121.839 119.300 0.091 0.000 3.008 171 C HA 0.561 5.022 4.460 0.001 0.000 0.405 171 C C -1.669 173.405 174.990 0.139 0.000 1.046 171 C CA -0.207 58.885 59.018 0.123 0.000 1.249 171 C CB 0.147 28.016 27.740 0.216 0.000 1.656 171 C HN 0.718 nan 8.230 nan 0.000 0.517 172 D N 2.644 123.033 120.400 -0.018 0.000 2.583 172 D HA 0.335 4.976 4.640 0.001 0.000 0.248 172 D C -1.116 174.905 176.300 -0.464 0.000 1.209 172 D CA -0.277 53.651 54.000 -0.120 0.000 0.848 172 D CB 1.551 42.321 40.800 -0.051 0.000 1.431 172 D HN 0.759 nan 8.370 nan 0.000 0.436 173 W N 3.267 123.951 121.300 -1.026 0.000 2.397 173 W HA 0.094 4.755 4.660 0.001 0.000 0.327 173 W C 0.188 176.350 176.519 -0.594 0.000 1.421 173 W CA -0.258 56.450 57.345 -1.061 0.000 1.288 173 W CB 0.815 29.515 29.460 -1.266 0.000 1.312 173 W HN 0.164 nan 8.180 nan 0.000 0.559 174 V N 6.233 125.513 119.914 -1.057 0.000 2.379 174 V HA 0.194 4.315 4.120 0.001 0.000 0.243 174 V C 1.214 176.838 176.094 -0.784 0.000 1.035 174 V CA 1.910 63.734 62.300 -0.793 0.000 1.035 174 V CB -0.534 30.847 31.823 -0.736 0.000 0.673 174 V HN 0.824 nan 8.190 nan 0.000 0.457 175 G N -0.872 107.237 108.800 -1.152 0.000 2.327 175 G HA2 0.206 4.167 3.960 0.001 0.000 0.291 175 G HA3 0.206 4.167 3.960 0.001 0.000 0.291 175 G C -2.029 172.496 174.900 -0.625 0.000 1.290 175 G CA -0.317 44.382 45.100 -0.669 0.000 0.857 175 G HN 0.091 nan 8.290 nan 0.000 0.520 176 D N 0.296 120.468 120.400 -0.380 0.000 2.339 176 D HA 0.477 5.118 4.640 0.001 0.000 0.245 176 D C 1.211 177.242 176.300 -0.448 0.000 1.115 176 D CA 0.910 54.789 54.000 -0.201 0.000 0.917 176 D CB 0.677 41.516 40.800 0.064 0.000 1.192 176 D HN 0.695 nan 8.370 nan 0.000 0.428 177 E N 0.840 120.962 120.200 -0.131 0.000 3.360 177 E HA -0.301 4.050 4.350 0.001 0.000 0.397 177 E C 1.160 177.629 176.600 -0.219 0.000 1.549 177 E CA 1.468 57.837 56.400 -0.051 0.000 1.539 177 E CB -1.273 28.503 29.700 0.128 0.000 1.621 177 E HN 0.570 nan 8.360 nan 0.000 0.465 178 G N -0.102 108.605 108.800 -0.156 0.000 2.956 178 G HA2 0.209 4.170 3.960 0.001 0.000 0.207 178 G HA3 0.209 4.170 3.960 0.001 0.000 0.207 178 G C 1.202 175.771 174.900 -0.552 0.000 1.162 178 G CA 0.896 45.937 45.100 -0.098 0.000 0.796 178 G HN 0.570 nan 8.290 nan 0.000 0.527 179 A N 1.050 123.046 122.820 -1.372 0.000 1.892 179 A HA 0.043 4.364 4.320 0.001 0.000 0.218 179 A C 2.663 179.864 177.584 -0.638 0.000 1.188 179 A CA 2.141 53.285 52.037 -1.489 0.000 0.631 179 A CB -0.949 17.122 19.000 -1.548 0.000 0.822 179 A HN 0.478 nan 8.150 nan 0.000 0.447 180 G N -1.311 107.113 108.800 -0.627 0.000 2.446 180 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 180 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 180 G C 1.413 176.164 174.900 -0.247 0.000 1.168 180 G CA 1.298 46.102 45.100 -0.494 0.000 0.771 180 G HN 0.773 nan 8.290 nan 0.000 0.551 181 H N -1.657 117.370 119.070 -0.072 0.000 2.495 181 H HA 0.095 4.652 4.556 0.001 0.000 0.287 181 H C 2.029 177.455 175.328 0.164 0.000 1.033 181 H CA 0.575 56.668 56.048 0.076 0.000 1.307 181 H CB -0.017 29.825 29.762 0.133 0.000 1.401 181 H HN 0.378 nan 8.280 nan 0.000 0.555 182 F N 0.321 120.319 119.950 0.081 0.000 2.146 182 F HA -0.188 4.340 4.527 0.002 0.000 0.298 182 F C 2.035 177.881 175.800 0.077 0.000 1.096 182 F CA 0.834 58.854 58.000 0.034 0.000 1.275 182 F CB -0.187 38.755 39.000 -0.097 0.000 1.008 182 F HN -0.095 nan 8.300 nan 0.000 0.480 183 V N 0.315 120.355 119.914 0.209 0.000 2.358 183 V HA -0.277 3.843 4.120 0.001 0.000 0.246 183 V C 2.365 178.629 176.094 0.283 0.000 1.047 183 V CA 2.016 64.445 62.300 0.214 0.000 1.035 183 V CB -0.660 31.211 31.823 0.080 0.000 0.658 183 V HN 0.186 nan 8.190 nan 0.000 0.452 184 K N 0.463 120.981 120.400 0.197 0.000 2.063 184 K HA -0.185 4.136 4.320 0.001 0.000 0.208 184 K C 2.116 178.797 176.600 0.135 0.000 1.048 184 K CA 1.944 58.333 56.287 0.171 0.000 0.928 184 K CB -0.569 32.029 32.500 0.163 0.000 0.713 184 K HN 0.425 nan 8.250 nan 0.000 0.442 185 M N -0.276 119.382 119.600 0.097 0.000 2.067 185 M HA -0.179 4.301 4.480 0.001 0.000 0.260 185 M C 1.745 177.989 176.300 -0.094 0.000 1.069 185 M CA 1.870 57.182 55.300 0.020 0.000 1.117 185 M CB -0.111 32.496 32.600 0.012 0.000 1.334 185 M HN 0.027 nan 8.290 nan 0.000 0.407 186 V N 0.416 120.254 119.914 -0.126 0.000 2.332 186 V HA -0.342 3.779 4.120 0.001 0.000 0.248 186 V C 2.633 178.607 176.094 -0.199 0.000 1.055 186 V CA 2.350 64.574 62.300 -0.127 0.000 1.038 186 V CB -1.555 30.262 31.823 -0.010 0.000 0.651 186 V HN 0.643 nan 8.190 nan 0.000 0.450 187 H N 1.089 119.991 119.070 -0.280 0.000 2.321 187 H HA -0.220 4.337 4.556 0.001 0.000 0.295 187 H C 2.137 177.208 175.328 -0.429 0.000 1.102 187 H CA 2.450 58.093 56.048 -0.675 0.000 1.266 187 H CB -0.139 29.274 29.762 -0.581 0.000 1.363 187 H HN 0.411 nan 8.280 nan 0.000 0.492 188 N N 0.193 118.780 118.700 -0.188 0.000 2.270 188 N HA -0.064 4.676 4.740 0.001 0.000 0.181 188 N C 2.182 177.526 175.510 -0.277 0.000 1.016 188 N CA 0.975 53.918 53.050 -0.178 0.000 0.870 188 N CB -0.817 37.617 38.487 -0.089 0.000 0.979 188 N HN 0.511 nan 8.380 nan 0.000 0.431 189 G N 1.322 109.931 108.800 -0.319 0.000 2.480 189 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 189 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 189 G C 1.562 176.316 174.900 -0.243 0.000 1.200 189 G CA 0.580 45.499 45.100 -0.302 0.000 0.782 189 G HN 0.271 nan 8.290 nan 0.000 0.554 190 I N 0.711 121.071 120.570 -0.350 0.000 2.208 190 I HA -0.207 3.964 4.170 0.001 0.000 0.245 190 I C 2.669 178.599 176.117 -0.312 0.000 1.097 190 I CA 1.661 62.706 61.300 -0.424 0.000 1.363 190 I CB -0.262 37.312 38.000 -0.711 0.000 1.051 190 I HN 0.373 nan 8.210 nan 0.000 0.413 191 E N 0.663 120.660 120.200 -0.338 0.000 2.033 191 E HA -0.289 4.062 4.350 0.001 0.000 0.199 191 E C 2.350 178.938 176.600 -0.021 0.000 1.011 191 E CA 1.790 58.073 56.400 -0.195 0.000 0.815 191 E CB -0.241 29.328 29.700 -0.217 0.000 0.755 191 E HN 0.389 nan 8.360 nan 0.000 0.451 192 Y N 0.357 120.548 120.300 -0.183 0.000 2.139 192 Y HA -0.192 4.359 4.550 0.002 0.000 0.282 192 Y C 2.424 178.264 175.900 -0.099 0.000 1.179 192 Y CA 1.669 59.690 58.100 -0.131 0.000 1.161 192 Y CB -1.023 37.355 38.460 -0.137 0.000 0.970 192 Y HN 0.243 nan 8.280 nan 0.000 0.511 193 G N -0.714 108.121 108.800 0.059 0.000 2.404 193 G HA2 -0.235 3.725 3.960 0.001 0.000 0.215 193 G HA3 -0.235 3.725 3.960 0.001 0.000 0.215 193 G C 1.355 176.271 174.900 0.027 0.000 1.174 193 G CA 1.185 46.302 45.100 0.028 0.000 0.780 193 G HN 0.287 nan 8.290 nan 0.000 0.537 194 D N 0.496 120.899 120.400 0.005 0.000 2.117 194 D HA -0.080 4.560 4.640 0.001 0.000 0.197 194 D C 2.656 178.964 176.300 0.014 0.000 0.987 194 D CA 0.863 54.882 54.000 0.031 0.000 0.829 194 D CB -0.288 40.532 40.800 0.034 0.000 0.961 194 D HN 0.308 nan 8.370 nan 0.000 0.460 195 M N -0.119 119.462 119.600 -0.033 0.000 2.117 195 M HA -0.203 4.278 4.480 0.001 0.000 0.262 195 M C 2.232 178.497 176.300 -0.059 0.000 1.065 195 M CA 1.270 56.525 55.300 -0.076 0.000 1.114 195 M CB -0.179 32.336 32.600 -0.141 0.000 1.361 195 M HN -0.078 nan 8.290 nan 0.000 0.408 196 Q N 1.112 120.887 119.800 -0.042 0.000 2.079 196 Q HA -0.066 4.275 4.340 0.001 0.000 0.200 196 Q C 1.761 177.759 176.000 -0.003 0.000 0.974 196 Q CA 1.656 57.444 55.803 -0.025 0.000 0.840 196 Q CB -0.503 28.232 28.738 -0.005 0.000 0.898 196 Q HN 0.532 nan 8.270 nan 0.000 0.430 197 L N -0.260 120.987 121.223 0.040 0.000 2.013 197 L HA -0.218 4.122 4.340 0.001 0.000 0.212 197 L C 2.408 179.333 176.870 0.091 0.000 1.073 197 L CA 1.376 56.267 54.840 0.085 0.000 0.753 197 L CB -0.506 41.675 42.059 0.203 0.000 0.890 197 L HN 0.290 nan 8.230 nan 0.000 0.432 198 I N -0.993 119.648 120.570 0.119 0.000 2.208 198 I HA -0.358 3.812 4.170 0.001 0.000 0.245 198 I C 2.612 178.838 176.117 0.181 0.000 1.097 198 I CA 1.229 62.642 61.300 0.188 0.000 1.363 198 I CB -0.324 37.706 38.000 0.050 0.000 1.051 198 I HN 0.401 nan 8.210 nan 0.000 0.413 199 C N 0.503 119.846 119.300 0.071 0.000 2.425 199 C HA -0.133 4.327 4.460 0.001 0.000 0.277 199 C C 2.609 177.686 174.990 0.146 0.000 1.280 199 C CA 0.773 59.857 59.018 0.110 0.000 1.744 199 C CB -1.111 26.644 27.740 0.025 0.000 1.989 199 C HN 0.505 nan 8.230 nan 0.000 0.491 200 E N 1.137 121.334 120.200 -0.006 0.000 2.072 200 E HA -0.124 4.227 4.350 0.001 0.000 0.191 200 E C 2.420 178.962 176.600 -0.098 0.000 0.985 200 E CA 1.228 57.535 56.400 -0.155 0.000 0.801 200 E CB -0.291 29.077 29.700 -0.553 0.000 0.750 200 E HN 0.659 nan 8.360 nan 0.000 0.452 201 A N 1.317 124.146 122.820 0.015 0.000 1.883 201 A HA -0.251 4.070 4.320 0.001 0.000 0.217 201 A C 2.121 179.903 177.584 0.329 0.000 1.186 201 A CA 1.723 53.928 52.037 0.279 0.000 0.624 201 A CB -0.933 18.379 19.000 0.520 0.000 0.822 201 A HN 0.438 nan 8.150 nan 0.000 0.444 202 Y N -0.206 120.260 120.300 0.277 0.000 2.165 202 Y HA -0.274 4.277 4.550 0.001 0.000 0.286 202 Y C 2.241 178.243 175.900 0.170 0.000 1.155 202 Y CA 2.190 60.435 58.100 0.242 0.000 1.164 202 Y CB -0.927 37.642 38.460 0.182 0.000 0.978 202 Y HN 0.608 nan 8.280 nan 0.000 0.513 203 H N -0.576 118.429 119.070 -0.109 0.000 2.353 203 H HA -0.143 4.414 4.556 0.001 0.000 0.300 203 H C 2.166 177.403 175.328 -0.153 0.000 1.090 203 H CA 1.473 57.381 56.048 -0.234 0.000 1.327 203 H CB -0.077 29.615 29.762 -0.117 0.000 1.383 203 H HN 0.372 nan 8.280 nan 0.000 0.508 204 L N -0.113 121.150 121.223 0.067 0.000 2.046 204 L HA -0.224 4.116 4.340 0.001 0.000 0.208 204 L C 2.668 179.575 176.870 0.061 0.000 1.077 204 L CA 1.090 55.971 54.840 0.068 0.000 0.747 204 L CB -0.296 41.877 42.059 0.191 0.000 0.896 204 L HN 0.408 nan 8.230 nan 0.000 0.432 205 M N -0.493 119.139 119.600 0.053 0.000 2.108 205 M HA -0.258 4.223 4.480 0.001 0.000 0.261 205 M C 2.405 178.674 176.300 -0.052 0.000 1.066 205 M CA 1.812 57.114 55.300 0.005 0.000 1.107 205 M CB -0.320 32.276 32.600 -0.006 0.000 1.356 205 M HN 0.132 nan 8.290 nan 0.000 0.406 206 K N 0.011 120.334 120.400 -0.127 0.000 2.031 206 K HA -0.149 4.172 4.320 0.001 0.000 0.205 206 K C 0.864 177.420 176.600 -0.074 0.000 1.049 206 K CA 1.665 57.858 56.287 -0.156 0.000 0.939 206 K CB 0.189 32.465 32.500 -0.374 0.000 0.717 206 K HN 0.180 nan 8.250 nan 0.000 0.438 207 D N -0.737 119.635 120.400 -0.047 0.000 2.380 207 D HA 0.003 4.644 4.640 0.001 0.000 0.212 207 D C 1.615 177.896 176.300 -0.032 0.000 1.021 207 D CA 0.298 54.280 54.000 -0.029 0.000 0.884 207 D CB 0.685 41.465 40.800 -0.034 0.000 1.001 207 D HN -0.038 nan 8.370 nan 0.000 0.506 208 V N 0.311 120.188 119.914 -0.062 0.000 2.436 208 V HA 0.034 4.154 4.120 0.001 0.000 0.240 208 V C 1.977 177.970 176.094 -0.169 0.000 1.040 208 V CA 0.860 63.111 62.300 -0.082 0.000 1.052 208 V CB -0.011 31.707 31.823 -0.175 0.000 0.707 208 V HN 0.147 nan 8.190 nan 0.000 0.469 209 L N 0.498 121.613 121.223 -0.180 0.000 2.567 209 L HA 0.322 4.662 4.340 0.001 0.000 0.225 209 L C 1.623 178.460 176.870 -0.055 0.000 1.119 209 L CA 0.757 55.485 54.840 -0.187 0.000 0.871 209 L CB -0.551 41.430 42.059 -0.130 0.000 1.036 209 L HN 0.558 nan 8.230 nan 0.000 0.459 210 G N 1.270 110.051 108.800 -0.033 0.000 2.305 210 G HA2 -0.317 3.643 3.960 0.001 0.000 0.287 210 G HA3 -0.317 3.643 3.960 0.001 0.000 0.287 210 G C 0.248 175.141 174.900 -0.011 0.000 1.036 210 G CA 0.201 45.295 45.100 -0.010 0.000 0.887 210 G HN 0.297 nan 8.290 nan 0.000 0.505 211 M N 0.125 119.710 119.600 -0.025 0.000 2.241 211 M HA 0.548 5.028 4.480 0.001 0.000 0.335 211 M C 0.952 177.241 176.300 -0.017 0.000 1.122 211 M CA 0.167 55.455 55.300 -0.021 0.000 1.164 211 M CB 0.972 33.552 32.600 -0.034 0.000 1.459 211 M HN 0.414 nan 8.290 nan 0.000 0.461 212 A N 1.515 124.327 122.820 -0.013 0.000 2.304 212 A HA 0.201 4.522 4.320 0.001 0.000 0.271 212 A C 0.972 178.533 177.584 -0.037 0.000 1.091 212 A CA -0.598 51.428 52.037 -0.017 0.000 0.812 212 A CB 0.555 19.553 19.000 -0.003 0.000 1.056 212 A HN 0.896 nan 8.150 nan 0.000 0.489 213 Q N 0.568 120.309 119.800 -0.099 0.000 2.062 213 Q HA -0.193 4.148 4.340 0.001 0.000 0.209 213 Q C 1.148 177.054 176.000 -0.157 0.000 0.996 213 Q CA 2.307 57.985 55.803 -0.209 0.000 0.859 213 Q CB -0.379 27.966 28.738 -0.655 0.000 0.920 213 Q HN 0.824 nan 8.270 nan 0.000 0.415 214 D N 0.170 120.501 120.400 -0.115 0.000 2.178 214 D HA -0.120 4.521 4.640 0.001 0.000 0.202 214 D C 1.791 178.085 176.300 -0.009 0.000 0.974 214 D CA 0.595 54.592 54.000 -0.005 0.000 0.841 214 D CB -0.051 40.794 40.800 0.076 0.000 0.953 214 D HN 0.411 nan 8.370 nan 0.000 0.478 215 E N 0.141 120.328 120.200 -0.021 0.000 2.072 215 E HA -0.117 4.233 4.350 0.001 0.000 0.191 215 E C 2.107 178.666 176.600 -0.068 0.000 0.985 215 E CA 0.641 57.019 56.400 -0.037 0.000 0.801 215 E CB 0.084 29.765 29.700 -0.031 0.000 0.750 215 E HN 0.201 nan 8.360 nan 0.000 0.452 216 M N 0.065 119.641 119.600 -0.040 0.000 2.132 216 M HA -0.108 4.373 4.480 0.001 0.000 0.263 216 M C 2.465 178.782 176.300 0.029 0.000 1.065 216 M CA 1.291 56.573 55.300 -0.031 0.000 1.122 216 M CB -0.163 32.510 32.600 0.122 0.000 1.365 216 M HN 0.147 nan 8.290 nan 0.000 0.411 217 A N 0.093 122.944 122.820 0.051 0.000 1.892 217 A HA -0.275 4.046 4.320 0.001 0.000 0.218 217 A C 2.016 179.613 177.584 0.021 0.000 1.188 217 A CA 2.176 54.252 52.037 0.065 0.000 0.631 217 A CB -0.821 18.197 19.000 0.030 0.000 0.822 217 A HN 0.473 nan 8.150 nan 0.000 0.447 218 Q N -0.217 119.562 119.800 -0.034 0.000 2.096 218 Q HA -0.068 4.273 4.340 0.001 0.000 0.204 218 Q C 2.076 177.979 176.000 -0.162 0.000 0.982 218 Q CA 2.304 58.067 55.803 -0.066 0.000 0.850 218 Q CB -0.657 28.045 28.738 -0.060 0.000 0.901 218 Q HN 0.574 nan 8.270 nan 0.000 0.422 219 A N -0.569 122.065 122.820 -0.309 0.000 1.883 219 A HA -0.160 4.160 4.320 0.001 0.000 0.217 219 A C 1.922 178.980 177.584 -0.877 0.000 1.186 219 A CA 1.589 53.222 52.037 -0.672 0.000 0.624 219 A CB -1.017 17.428 19.000 -0.924 0.000 0.822 219 A HN 0.475 nan 8.150 nan 0.000 0.444 220 F N -0.158 119.471 119.950 -0.534 0.000 2.134 220 F HA -0.120 4.408 4.527 0.001 0.000 0.299 220 F C 2.363 178.114 175.800 -0.081 0.000 1.097 220 F CA 1.674 59.513 58.000 -0.269 0.000 1.264 220 F CB -0.439 38.472 39.000 -0.148 0.000 1.001 220 F HN 0.367 nan 8.300 nan 0.000 0.479 221 E N 0.233 120.481 120.200 0.080 0.000 2.085 221 E HA -0.241 4.109 4.350 0.001 0.000 0.194 221 E C 1.679 178.316 176.600 0.061 0.000 0.994 221 E CA 1.667 58.106 56.400 0.064 0.000 0.801 221 E CB -0.052 29.665 29.700 0.029 0.000 0.743 221 E HN 0.321 nan 8.360 nan 0.000 0.453 222 D N -0.405 120.000 120.400 0.009 0.000 2.097 222 D HA -0.152 4.488 4.640 0.001 0.000 0.197 222 D C 1.572 177.980 176.300 0.181 0.000 0.984 222 D CA 0.651 54.683 54.000 0.053 0.000 0.826 222 D CB -0.467 40.334 40.800 0.002 0.000 0.973 222 D HN 0.352 nan 8.370 nan 0.000 0.460 223 W N 1.556 122.841 121.300 -0.026 0.000 2.331 223 W HA -0.108 4.553 4.660 0.001 0.000 0.291 223 W C 2.022 178.538 176.519 -0.005 0.000 1.214 223 W CA 0.553 57.876 57.345 -0.038 0.000 1.228 223 W CB -1.374 28.055 29.460 -0.053 0.000 1.135 223 W HN 0.051 nan 8.180 nan 0.000 0.537 224 N N 0.203 119.058 118.700 0.259 0.000 2.573 224 N HA -0.113 4.628 4.740 0.001 0.000 0.187 224 N C 1.350 176.926 175.510 0.110 0.000 1.107 224 N CA 0.984 54.135 53.050 0.168 0.000 0.918 224 N CB -0.150 38.425 38.487 0.147 0.000 0.966 224 N HN 0.118 nan 8.380 nan 0.000 0.448 225 K N -1.128 119.332 120.400 0.099 0.000 2.356 225 K HA 0.050 4.371 4.320 0.001 0.000 0.195 225 K C 1.120 177.742 176.600 0.037 0.000 1.037 225 K CA 0.687 57.012 56.287 0.064 0.000 1.014 225 K CB 0.326 32.860 32.500 0.058 0.000 0.815 225 K HN 0.293 nan 8.250 nan 0.000 0.507 226 T N -1.525 113.041 114.554 0.021 0.000 2.960 226 T HA 0.126 4.477 4.350 0.001 0.000 0.279 226 T C 1.178 175.826 174.700 -0.086 0.000 1.171 226 T CA -0.444 61.629 62.100 -0.046 0.000 0.952 226 T CB 0.255 69.064 68.868 -0.099 0.000 2.127 226 T HN -0.151 nan 8.240 nan 0.000 0.573 227 E N 0.530 120.596 120.200 -0.223 0.000 2.160 227 E HA 0.035 4.385 4.350 0.001 0.000 0.195 227 E C 1.783 178.251 176.600 -0.220 0.000 0.991 227 E CA 0.831 57.040 56.400 -0.318 0.000 0.810 227 E CB -0.589 28.573 29.700 -0.897 0.000 0.742 227 E HN 0.456 nan 8.360 nan 0.000 0.466 228 L N 1.136 122.233 121.223 -0.211 0.000 2.599 228 L HA 0.010 4.350 4.340 0.001 0.000 0.230 228 L C 0.534 177.436 176.870 0.053 0.000 1.141 228 L CA -0.285 54.515 54.840 -0.067 0.000 0.877 228 L CB -0.235 41.783 42.059 -0.068 0.000 1.009 228 L HN 0.074 nan 8.230 nan 0.000 0.447 229 D N 1.883 122.320 120.400 0.061 0.000 2.536 229 D HA -0.000 4.640 4.640 0.001 0.000 0.260 229 D C -0.001 176.379 176.300 0.135 0.000 1.270 229 D CA 0.613 54.673 54.000 0.101 0.000 0.934 229 D CB 0.378 41.232 40.800 0.089 0.000 1.129 229 D HN 0.296 nan 8.370 nan 0.000 0.533 230 S N 2.571 118.358 115.700 0.146 0.000 2.578 230 S HA 0.189 4.660 4.470 0.001 0.000 0.272 230 S C 0.366 175.083 174.600 0.194 0.000 1.145 230 S CA -0.938 57.370 58.200 0.181 0.000 0.835 230 S CB 0.255 63.550 63.200 0.159 0.000 1.104 230 S HN 0.198 nan 8.310 nan 0.000 0.458 231 F N 1.460 121.462 119.950 0.087 0.000 2.134 231 F HA 0.122 4.650 4.527 0.001 0.000 0.299 231 F C 1.726 177.547 175.800 0.034 0.000 1.097 231 F CA 1.624 59.661 58.000 0.062 0.000 1.264 231 F CB -0.483 38.558 39.000 0.068 0.000 1.001 231 F HN 0.613 nan 8.300 nan 0.000 0.479 232 L N -0.309 120.867 121.223 -0.077 0.000 2.046 232 L HA -0.258 4.082 4.340 0.001 0.000 0.208 232 L C 2.479 179.225 176.870 -0.206 0.000 1.077 232 L CA 0.692 55.407 54.840 -0.209 0.000 0.747 232 L CB -0.709 41.317 42.059 -0.055 0.000 0.896 232 L HN 0.167 nan 8.230 nan 0.000 0.432 233 I N -0.020 120.518 120.570 -0.053 0.000 2.179 233 I HA -0.286 3.885 4.170 0.001 0.000 0.242 233 I C 2.527 178.610 176.117 -0.057 0.000 1.088 233 I CA 1.406 62.721 61.300 0.026 0.000 1.357 233 I CB -1.049 37.075 38.000 0.207 0.000 1.051 233 I HN 0.414 nan 8.210 nan 0.000 0.409 234 E N 1.374 121.536 120.200 -0.063 0.000 2.048 234 E HA -0.265 4.085 4.350 0.001 0.000 0.202 234 E C 2.315 178.799 176.600 -0.194 0.000 1.021 234 E CA 2.437 58.787 56.400 -0.083 0.000 0.825 234 E CB -0.237 29.436 29.700 -0.044 0.000 0.756 234 E HN 0.591 nan 8.360 nan 0.000 0.454 235 I N -1.209 119.129 120.570 -0.388 0.000 2.493 235 I HA -0.141 4.030 4.170 0.001 0.000 0.254 235 I C 2.061 177.982 176.117 -0.326 0.000 1.160 235 I CA 1.452 62.520 61.300 -0.387 0.000 1.445 235 I CB -0.488 37.162 38.000 -0.583 0.000 1.086 235 I HN -0.005 nan 8.210 nan 0.000 0.433 236 T N 1.695 116.016 114.554 -0.387 0.000 2.746 236 T HA -0.047 4.303 4.350 0.001 0.000 0.267 236 T C 2.172 176.623 174.700 -0.415 0.000 1.039 236 T CA 1.719 63.514 62.100 -0.508 0.000 1.142 236 T CB -0.293 68.094 68.868 -0.802 0.000 0.866 236 T HN 0.620 nan 8.240 nan 0.000 0.444 237 A N 2.370 125.036 122.820 -0.257 0.000 1.908 237 A HA -0.179 4.141 4.320 0.001 0.000 0.218 237 A C 2.227 179.774 177.584 -0.061 0.000 1.181 237 A CA 1.709 53.700 52.037 -0.077 0.000 0.627 237 A CB -0.666 18.348 19.000 0.022 0.000 0.818 237 A HN 0.405 nan 8.150 nan 0.000 0.445 238 N N 0.189 118.845 118.700 -0.073 0.000 2.084 238 N HA -0.109 4.632 4.740 0.001 0.000 0.190 238 N C 1.590 177.106 175.510 0.010 0.000 1.030 238 N CA 1.600 54.642 53.050 -0.014 0.000 0.849 238 N CB -0.536 37.936 38.487 -0.025 0.000 1.012 238 N HN 0.559 nan 8.380 nan 0.000 0.423 239 I N 0.776 121.290 120.570 -0.095 0.000 2.208 239 I HA -0.239 3.932 4.170 0.001 0.000 0.245 239 I C 1.930 178.027 176.117 -0.034 0.000 1.097 239 I CA 0.861 62.097 61.300 -0.106 0.000 1.363 239 I CB -0.185 37.678 38.000 -0.229 0.000 1.051 239 I HN 0.070 nan 8.210 nan 0.000 0.413 240 L N 0.212 121.378 121.223 -0.095 0.000 2.131 240 L HA -0.215 4.125 4.340 0.001 0.000 0.210 240 L C 2.414 179.315 176.870 0.052 0.000 1.092 240 L CA 1.438 56.234 54.840 -0.073 0.000 0.759 240 L CB -0.481 41.520 42.059 -0.096 0.000 0.903 240 L HN 0.155 nan 8.230 nan 0.000 0.435 241 K N -0.507 119.962 120.400 0.115 0.000 2.155 241 K HA -0.097 4.224 4.320 0.001 0.000 0.203 241 K C 0.639 177.400 176.600 0.268 0.000 1.052 241 K CA 0.276 56.678 56.287 0.192 0.000 0.948 241 K CB -0.081 32.484 32.500 0.108 0.000 0.728 241 K HN -0.022 nan 8.250 nan 0.000 0.448 242 F N 2.978 122.988 119.950 0.100 0.000 2.608 242 F HA -0.099 4.429 4.527 0.001 0.000 0.380 242 F C 0.138 175.959 175.800 0.035 0.000 1.083 242 F CA 0.505 58.532 58.000 0.044 0.000 1.266 242 F CB 0.379 39.382 39.000 0.005 0.000 1.076 242 F HN -0.006 nan 8.300 nan 0.000 0.574 243 Q N 4.554 124.041 119.800 -0.522 0.000 2.312 243 Q HA 0.191 4.532 4.340 0.001 0.000 0.263 243 Q C -0.908 174.879 176.000 -0.354 0.000 0.995 243 Q CA -1.075 54.503 55.803 -0.375 0.000 0.853 243 Q CB 1.982 30.477 28.738 -0.406 0.000 1.300 243 Q HN 0.610 nan 8.270 nan 0.000 0.448 244 D N 0.451 120.801 120.400 -0.083 0.000 2.384 244 D HA 0.003 4.644 4.640 0.001 0.000 0.244 244 D C 1.032 177.292 176.300 -0.066 0.000 1.251 244 D CA 0.147 54.150 54.000 0.005 0.000 0.961 244 D CB 1.095 41.933 40.800 0.063 0.000 1.116 244 D HN 0.610 nan 8.370 nan 0.000 0.484 245 T N -1.647 112.894 114.554 -0.023 0.000 2.946 245 T HA -0.219 4.132 4.350 0.001 0.000 0.271 245 T C 0.925 175.600 174.700 -0.042 0.000 1.104 245 T CA 1.323 63.402 62.100 -0.036 0.000 1.114 245 T CB -0.225 68.639 68.868 -0.008 0.000 0.867 245 T HN 0.518 nan 8.240 nan 0.000 0.513 246 D N 0.507 120.885 120.400 -0.036 0.000 2.340 246 D HA 0.259 4.900 4.640 0.001 0.000 0.217 246 D C 1.631 177.899 176.300 -0.054 0.000 1.081 246 D CA 0.394 54.374 54.000 -0.034 0.000 0.842 246 D CB -0.547 40.243 40.800 -0.017 0.000 0.934 246 D HN 0.522 nan 8.370 nan 0.000 0.511 247 G N -0.616 108.132 108.800 -0.087 0.000 2.253 247 G HA2 -0.263 3.698 3.960 0.001 0.000 0.251 247 G HA3 -0.263 3.698 3.960 0.001 0.000 0.251 247 G C 0.681 175.491 174.900 -0.151 0.000 0.998 247 G CA 0.521 45.548 45.100 -0.120 0.000 0.621 247 G HN 0.852 nan 8.290 nan 0.000 0.524 248 K N 0.490 120.832 120.400 -0.096 0.000 2.154 248 K HA 0.653 4.974 4.320 0.001 0.000 0.264 248 K C 0.273 176.823 176.600 -0.084 0.000 1.008 248 K CA 0.071 56.316 56.287 -0.070 0.000 0.937 248 K CB 0.046 32.548 32.500 0.004 0.000 1.002 248 K HN 0.645 nan 8.250 nan 0.000 0.469 249 H N 0.472 119.553 119.070 0.019 0.000 2.897 249 H HA 0.091 4.648 4.556 0.001 0.000 0.347 249 H C 1.249 176.619 175.328 0.070 0.000 1.068 249 H CA 0.128 56.203 56.048 0.044 0.000 1.426 249 H CB 1.117 30.906 29.762 0.046 0.000 1.410 249 H HN 0.566 nan 8.280 nan 0.000 0.597 250 L N 3.378 124.752 121.223 0.252 0.000 2.131 250 L HA -0.045 4.296 4.340 0.001 0.000 0.206 250 L C 1.832 178.769 176.870 0.111 0.000 1.087 250 L CA 1.133 56.088 54.840 0.191 0.000 0.767 250 L CB -0.672 41.563 42.059 0.293 0.000 0.917 250 L HN 0.639 nan 8.230 nan 0.000 0.441 251 L N 0.830 122.113 121.223 0.099 0.000 2.013 251 L HA -0.086 4.254 4.340 0.001 0.000 0.212 251 L C -0.594 176.293 176.870 0.029 0.000 1.073 251 L CA 2.085 56.933 54.840 0.014 0.000 0.753 251 L CB -1.952 40.081 42.059 -0.044 0.000 0.890 251 L HN 0.203 nan 8.230 nan 0.000 0.432 252 P HA -0.122 nan 4.420 nan 0.000 0.228 252 P C 1.003 178.329 177.300 0.043 0.000 1.151 252 P CA 1.353 64.489 63.100 0.061 0.000 0.770 252 P CB -0.063 31.683 31.700 0.076 0.000 0.786 253 K N -1.023 119.403 120.400 0.043 0.000 2.400 253 K HA 0.117 4.438 4.320 0.001 0.000 0.194 253 K C 0.725 177.331 176.600 0.011 0.000 1.033 253 K CA 0.149 56.453 56.287 0.029 0.000 1.021 253 K CB 0.052 32.573 32.500 0.036 0.000 0.808 253 K HN 0.232 nan 8.250 nan 0.000 0.505 254 I N 2.112 122.683 120.570 0.001 0.000 2.441 254 I HA 0.066 4.237 4.170 0.001 0.000 0.287 254 I C 0.548 176.653 176.117 -0.020 0.000 1.049 254 I CA -0.602 60.687 61.300 -0.018 0.000 1.381 254 I CB 0.778 38.754 38.000 -0.040 0.000 1.409 254 I HN 0.026 nan 8.210 nan 0.000 0.523 255 R N 5.578 126.064 120.500 -0.022 0.000 2.489 255 R HA -0.004 4.336 4.340 0.001 0.000 0.287 255 R C -0.158 176.124 176.300 -0.030 0.000 1.053 255 R CA -0.325 55.763 56.100 -0.021 0.000 1.036 255 R CB 0.395 30.683 30.300 -0.019 0.000 0.966 255 R HN 0.612 nan 8.270 nan 0.000 0.432 256 D N 2.627 123.010 120.400 -0.027 0.000 3.057 256 D HA 0.006 4.647 4.640 0.001 0.000 0.246 256 D C -0.882 175.398 176.300 -0.032 0.000 1.238 256 D CA -0.114 53.866 54.000 -0.034 0.000 0.949 256 D CB 0.655 41.435 40.800 -0.033 0.000 1.086 256 D HN 0.183 nan 8.370 nan 0.000 0.487 257 S N 0.035 115.714 115.700 -0.035 0.000 2.718 257 S HA 0.570 5.041 4.470 0.001 0.000 0.294 257 S C -0.468 174.106 174.600 -0.044 0.000 1.157 257 S CA -0.654 57.527 58.200 -0.031 0.000 1.121 257 S CB 0.517 63.704 63.200 -0.022 0.000 1.015 257 S HN 0.466 nan 8.310 nan 0.000 0.479 258 A N 3.819 126.607 122.820 -0.053 0.000 2.409 258 A HA 0.686 5.007 4.320 0.001 0.000 0.262 258 A C 0.834 178.377 177.584 -0.068 0.000 1.113 258 A CA -0.062 51.927 52.037 -0.079 0.000 0.790 258 A CB 0.085 19.021 19.000 -0.107 0.000 1.046 258 A HN 0.922 nan 8.150 nan 0.000 0.496 259 G N 0.965 109.718 108.800 -0.078 0.000 2.528 259 G HA2 0.566 4.527 3.960 0.001 0.000 0.289 259 G HA3 0.566 4.527 3.960 0.001 0.000 0.289 259 G C -0.428 174.431 174.900 -0.069 0.000 1.192 259 G CA -0.370 44.694 45.100 -0.060 0.000 0.921 259 G HN 1.079 nan 8.290 nan 0.000 0.512 260 Q N -1.133 118.648 119.800 -0.032 0.000 2.391 260 Q HA 0.463 4.804 4.340 0.001 0.000 0.279 260 Q C -1.130 174.856 176.000 -0.024 0.000 1.028 260 Q CA -0.985 54.824 55.803 0.010 0.000 0.836 260 Q CB 2.056 30.850 28.738 0.094 0.000 1.414 260 Q HN 0.427 nan 8.270 nan 0.000 0.397 261 K N 0.309 120.678 120.400 -0.051 0.000 2.438 261 K HA 0.332 4.653 4.320 0.001 0.000 0.205 261 K C 0.539 176.971 176.600 -0.280 0.000 1.033 261 K CA 0.479 56.692 56.287 -0.124 0.000 1.089 261 K CB 1.137 33.573 32.500 -0.106 0.000 0.857 261 K HN 0.969 nan 8.250 nan 0.000 0.522 262 G N 0.910 109.491 108.800 -0.365 0.000 2.491 262 G HA2 -0.341 3.620 3.960 0.001 0.000 0.203 262 G HA3 -0.341 3.620 3.960 0.001 0.000 0.203 262 G C 1.246 175.413 174.900 -1.221 0.000 1.052 262 G CA 0.333 44.996 45.100 -0.728 0.000 0.675 262 G HN 0.255 nan 8.290 nan 0.000 0.504 263 T N 0.345 114.264 114.554 -1.057 0.000 2.720 263 T HA 0.087 4.437 4.350 0.001 0.000 0.268 263 T C 2.499 176.825 174.700 -0.624 0.000 1.037 263 T CA 2.268 63.856 62.100 -0.853 0.000 1.144 263 T CB -0.954 67.629 68.868 -0.475 0.000 0.864 263 T HN 1.331 nan 8.240 nan 0.000 0.444 264 G N 1.872 110.139 108.800 -0.887 0.000 2.433 264 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 264 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 264 G C 1.480 176.051 174.900 -0.549 0.000 1.186 264 G CA 1.013 45.413 45.100 -1.166 0.000 0.779 264 G HN 0.590 nan 8.290 nan 0.000 0.543 265 K N -0.641 119.518 120.400 -0.402 0.000 2.044 265 K HA -0.195 4.125 4.320 0.001 0.000 0.210 265 K C 2.253 178.861 176.600 0.014 0.000 1.049 265 K CA 1.755 57.935 56.287 -0.178 0.000 0.927 265 K CB -0.348 32.085 32.500 -0.112 0.000 0.713 265 K HN 0.389 nan 8.250 nan 0.000 0.443 266 W N 1.335 122.542 121.300 -0.155 0.000 2.338 266 W HA -0.099 4.562 4.660 0.002 0.000 0.304 266 W C 2.401 178.863 176.519 -0.094 0.000 1.212 266 W CA 1.381 58.670 57.345 -0.094 0.000 1.264 266 W CB -1.357 28.060 29.460 -0.072 0.000 1.142 266 W HN 0.167 nan 8.180 nan 0.000 0.512 267 T N 0.440 115.042 114.554 0.080 0.000 2.708 267 T HA -0.126 4.225 4.350 0.001 0.000 0.266 267 T C 2.047 176.734 174.700 -0.023 0.000 1.037 267 T CA 2.255 64.333 62.100 -0.035 0.000 1.146 267 T CB -0.668 68.104 68.868 -0.160 0.000 0.865 267 T HN 0.125 nan 8.240 nan 0.000 0.435 268 A N 1.080 123.860 122.820 -0.066 0.000 1.902 268 A HA -0.011 4.310 4.320 0.001 0.000 0.217 268 A C 2.286 179.866 177.584 -0.007 0.000 1.181 268 A CA 1.154 53.152 52.037 -0.065 0.000 0.623 268 A CB -0.744 18.161 19.000 -0.157 0.000 0.818 268 A HN 0.534 nan 8.150 nan 0.000 0.443 269 I N -0.308 120.275 120.570 0.022 0.000 2.226 269 I HA -0.218 3.953 4.170 0.001 0.000 0.245 269 I C 2.648 178.797 176.117 0.052 0.000 1.100 269 I CA 1.439 62.763 61.300 0.040 0.000 1.374 269 I CB -0.436 37.601 38.000 0.062 0.000 1.057 269 I HN 0.236 nan 8.210 nan 0.000 0.413 270 S N 0.937 116.708 115.700 0.118 0.000 2.359 270 S HA -0.190 4.280 4.470 0.001 0.000 0.224 270 S C 2.297 177.023 174.600 0.210 0.000 1.035 270 S CA 1.406 59.741 58.200 0.226 0.000 1.018 270 S CB -0.403 63.002 63.200 0.342 0.000 0.876 270 S HN 0.549 nan 8.310 nan 0.000 0.448 271 A N 1.572 124.482 122.820 0.151 0.000 1.865 271 A HA -0.095 4.226 4.320 0.001 0.000 0.217 271 A C 2.166 179.810 177.584 0.099 0.000 1.191 271 A CA 1.460 53.577 52.037 0.133 0.000 0.623 271 A CB -0.911 18.132 19.000 0.071 0.000 0.826 271 A HN 0.447 nan 8.150 nan 0.000 0.444 272 L N -0.879 120.378 121.223 0.055 0.000 2.046 272 L HA -0.227 4.114 4.340 0.001 0.000 0.208 272 L C 2.642 179.503 176.870 -0.014 0.000 1.077 272 L CA 1.810 56.671 54.840 0.035 0.000 0.747 272 L CB -0.581 41.498 42.059 0.032 0.000 0.896 272 L HN 0.482 nan 8.230 nan 0.000 0.432 273 E N -0.946 119.197 120.200 -0.096 0.000 2.153 273 E HA -0.208 4.142 4.350 0.001 0.000 0.194 273 E C 1.245 177.614 176.600 -0.385 0.000 0.988 273 E CA 1.216 57.442 56.400 -0.290 0.000 0.811 273 E CB 0.069 29.489 29.700 -0.467 0.000 0.746 273 E HN 0.486 nan 8.360 nan 0.000 0.466 274 Y N -0.756 119.583 120.300 0.065 0.000 2.507 274 Y HA 0.292 4.843 4.550 0.001 0.000 0.254 274 Y C 1.169 177.087 175.900 0.030 0.000 1.171 274 Y CA 0.101 58.217 58.100 0.027 0.000 1.238 274 Y CB 0.962 39.428 38.460 0.009 0.000 1.148 274 Y HN 0.009 nan 8.280 nan 0.000 0.525 275 G N 1.002 109.885 108.800 0.139 0.000 2.295 275 G HA2 -0.233 3.728 3.960 0.001 0.000 0.287 275 G HA3 -0.233 3.728 3.960 0.001 0.000 0.287 275 G C -0.445 174.533 174.900 0.131 0.000 1.055 275 G CA 0.304 45.474 45.100 0.116 0.000 0.922 275 G HN 0.132 nan 8.290 nan 0.000 0.503 276 V N 1.232 121.230 119.914 0.141 0.000 2.394 276 V HA 0.472 4.593 4.120 0.001 0.000 0.282 276 V C -1.270 174.894 176.094 0.116 0.000 1.031 276 V CA -1.509 60.870 62.300 0.132 0.000 0.881 276 V CB 1.859 33.762 31.823 0.132 0.000 0.982 276 V HN 0.236 nan 8.190 nan 0.000 0.451 277 P HA 0.121 nan 4.420 nan 0.000 0.230 277 P C -0.122 177.179 177.300 0.002 0.000 1.791 277 P CA -0.002 63.184 63.100 0.143 0.000 1.020 277 P CB 0.177 32.067 31.700 0.317 0.000 1.977 278 V N 2.514 122.421 119.914 -0.011 0.000 2.008 278 V HA -0.009 4.112 4.120 0.001 0.000 0.262 278 V C 2.159 178.220 176.094 -0.055 0.000 1.580 278 V CA 0.611 62.865 62.300 -0.077 0.000 1.515 278 V CB -0.924 30.875 31.823 -0.039 0.000 1.474 278 V HN 0.415 nan 8.190 nan 0.000 0.504 279 T N -0.178 114.335 114.554 -0.068 0.000 2.904 279 T HA -0.119 4.232 4.350 0.001 0.000 0.267 279 T C 1.750 176.472 174.700 0.036 0.000 1.059 279 T CA 0.989 63.105 62.100 0.027 0.000 1.137 279 T CB -0.093 68.832 68.868 0.096 0.000 0.879 279 T HN 0.393 nan 8.240 nan 0.000 0.467 280 L N 0.096 121.316 121.223 -0.005 0.000 2.056 280 L HA 0.144 4.484 4.340 0.001 0.000 0.207 280 L C 2.583 179.466 176.870 0.022 0.000 1.078 280 L CA 1.261 56.121 54.840 0.033 0.000 0.749 280 L CB -0.316 41.757 42.059 0.024 0.000 0.901 280 L HN 0.243 nan 8.230 nan 0.000 0.433 281 I N -0.855 119.699 120.570 -0.026 0.000 2.286 281 I HA -0.237 3.933 4.170 0.001 0.000 0.248 281 I C 2.507 178.587 176.117 -0.063 0.000 1.115 281 I CA 1.337 62.608 61.300 -0.049 0.000 1.392 281 I CB -0.910 37.025 38.000 -0.107 0.000 1.065 281 I HN 0.325 nan 8.210 nan 0.000 0.418 282 G N 0.414 109.180 108.800 -0.056 0.000 2.491 282 G HA2 -0.243 3.718 3.960 0.001 0.000 0.218 282 G HA3 -0.243 3.718 3.960 0.001 0.000 0.218 282 G C 1.572 176.464 174.900 -0.014 0.000 1.180 282 G CA 0.699 45.740 45.100 -0.098 0.000 0.774 282 G HN 0.296 nan 8.290 nan 0.000 0.562 283 E N 0.850 121.124 120.200 0.122 0.000 2.110 283 E HA -0.066 4.285 4.350 0.001 0.000 0.193 283 E C 2.961 179.649 176.600 0.146 0.000 0.988 283 E CA 0.974 57.493 56.400 0.199 0.000 0.804 283 E CB -0.538 29.264 29.700 0.169 0.000 0.745 283 E HN 0.368 nan 8.360 nan 0.000 0.458 284 A N 1.175 124.051 122.820 0.093 0.000 1.883 284 A HA -0.164 4.156 4.320 0.001 0.000 0.217 284 A C 2.644 180.294 177.584 0.110 0.000 1.186 284 A CA 1.708 53.803 52.037 0.097 0.000 0.624 284 A CB -0.812 18.261 19.000 0.122 0.000 0.822 284 A HN 0.136 nan 8.150 nan 0.000 0.444 285 V N -1.153 118.804 119.914 0.072 0.000 2.287 285 V HA -0.248 3.873 4.120 0.001 0.000 0.248 285 V C 2.343 178.444 176.094 0.012 0.000 1.053 285 V CA 2.126 64.437 62.300 0.019 0.000 1.027 285 V CB -1.043 30.654 31.823 -0.209 0.000 0.646 285 V HN 0.529 nan 8.190 nan 0.000 0.447 286 F N 0.817 120.806 119.950 0.064 0.000 2.234 286 F HA -0.046 4.482 4.527 0.001 0.000 0.299 286 F C 2.405 178.225 175.800 0.034 0.000 1.087 286 F CA 0.821 58.848 58.000 0.044 0.000 1.340 286 F CB -1.239 37.785 39.000 0.040 0.000 1.031 286 F HN 0.090 nan 8.300 nan 0.000 0.500 287 A N 0.353 123.299 122.820 0.211 0.000 1.908 287 A HA -0.197 4.123 4.320 0.001 0.000 0.218 287 A C 2.432 180.057 177.584 0.068 0.000 1.181 287 A CA 1.508 53.614 52.037 0.115 0.000 0.627 287 A CB -0.586 18.460 19.000 0.078 0.000 0.818 287 A HN 0.281 nan 8.150 nan 0.000 0.445 288 R N -0.834 119.695 120.500 0.048 0.000 2.073 288 R HA -0.158 4.182 4.340 0.001 0.000 0.234 288 R C 2.309 178.634 176.300 0.041 0.000 1.134 288 R CA 1.585 57.691 56.100 0.010 0.000 0.952 288 R CB -0.976 29.309 30.300 -0.025 0.000 0.850 288 R HN 0.619 nan 8.270 nan 0.000 0.433 289 C N 0.879 120.234 119.300 0.091 0.000 2.413 289 C HA -0.123 4.337 4.460 0.001 0.000 0.276 289 C C 2.646 177.682 174.990 0.076 0.000 1.236 289 C CA 0.414 59.493 59.018 0.103 0.000 1.735 289 C CB -1.007 26.846 27.740 0.189 0.000 2.031 289 C HN 0.436 nan 8.230 nan 0.000 0.474 290 L N 2.271 123.544 121.223 0.084 0.000 2.042 290 L HA -0.117 4.223 4.340 0.001 0.000 0.210 290 L C 2.736 179.624 176.870 0.031 0.000 1.076 290 L CA 2.663 57.534 54.840 0.052 0.000 0.749 290 L CB -0.943 41.148 42.059 0.054 0.000 0.893 290 L HN 0.482 nan 8.230 nan 0.000 0.432 291 S N -2.161 113.554 115.700 0.025 0.000 2.402 291 S HA -0.143 4.328 4.470 0.001 0.000 0.229 291 S C 1.946 176.548 174.600 0.003 0.000 1.021 291 S CA 1.192 59.396 58.200 0.006 0.000 0.974 291 S CB -0.781 62.413 63.200 -0.010 0.000 0.800 291 S HN 0.509 nan 8.310 nan 0.000 0.484 292 S N 2.089 117.795 115.700 0.009 0.000 2.423 292 S HA 0.177 4.647 4.470 0.001 0.000 0.231 292 S C 1.138 175.743 174.600 0.009 0.000 1.014 292 S CA 0.715 58.919 58.200 0.007 0.000 0.965 292 S CB -0.566 62.642 63.200 0.014 0.000 0.785 292 S HN 0.532 nan 8.310 nan 0.000 0.495 293 L N 2.050 123.281 121.223 0.013 0.000 2.930 293 L HA 0.155 4.496 4.340 0.001 0.000 0.250 293 L C 1.774 178.648 176.870 0.007 0.000 1.320 293 L CA -0.130 54.717 54.840 0.011 0.000 1.163 293 L CB -0.410 41.657 42.059 0.013 0.000 1.542 293 L HN 0.135 nan 8.230 nan 0.000 0.428 294 K N 0.789 121.191 120.400 0.004 0.000 2.032 294 K HA -0.205 4.116 4.320 0.001 0.000 0.209 294 K C 1.490 178.091 176.600 0.002 0.000 1.048 294 K CA 1.761 58.049 56.287 0.001 0.000 0.927 294 K CB 0.082 32.581 32.500 -0.003 0.000 0.712 294 K HN 0.279 nan 8.250 nan 0.000 0.441 295 D N 0.561 120.963 120.400 0.002 0.000 2.144 295 D HA -0.137 4.504 4.640 0.001 0.000 0.200 295 D C 1.723 178.025 176.300 0.003 0.000 0.978 295 D CA 1.139 55.141 54.000 0.002 0.000 0.833 295 D CB -0.069 40.732 40.800 0.002 0.000 0.961 295 D HN 0.462 nan 8.370 nan 0.000 0.470 296 E N 0.636 120.838 120.200 0.004 0.000 2.110 296 E HA -0.131 4.219 4.350 0.001 0.000 0.193 296 E C 2.211 178.813 176.600 0.004 0.000 0.988 296 E CA 0.599 57.001 56.400 0.003 0.000 0.804 296 E CB -0.006 29.697 29.700 0.003 0.000 0.745 296 E HN 0.246 nan 8.360 nan 0.000 0.458 297 R N 0.382 120.885 120.500 0.005 0.000 2.092 297 R HA -0.049 4.292 4.340 0.001 0.000 0.231 297 R C 2.429 178.732 176.300 0.006 0.000 1.119 297 R CA 0.813 56.917 56.100 0.006 0.000 0.970 297 R CB -0.192 30.113 30.300 0.008 0.000 0.864 297 R HN 0.201 nan 8.270 nan 0.000 0.440 298 I N 0.804 121.377 120.570 0.005 0.000 2.179 298 I HA -0.298 3.872 4.170 0.001 0.000 0.242 298 I C 2.434 178.553 176.117 0.005 0.000 1.088 298 I CA 1.152 62.455 61.300 0.005 0.000 1.357 298 I CB -0.356 37.646 38.000 0.004 0.000 1.051 298 I HN 0.166 nan 8.210 nan 0.000 0.409 299 Q N 0.882 120.684 119.800 0.004 0.000 2.014 299 Q HA -0.228 4.113 4.340 0.001 0.000 0.207 299 Q C 2.484 178.485 176.000 0.003 0.000 0.993 299 Q CA 2.230 58.035 55.803 0.003 0.000 0.850 299 Q CB -0.706 28.033 28.738 0.002 0.000 0.916 299 Q HN 0.582 nan 8.270 nan 0.000 0.417 300 A N 1.201 124.023 122.820 0.003 0.000 1.972 300 A HA -0.177 4.144 4.320 0.001 0.000 0.219 300 A C 2.323 179.909 177.584 0.004 0.000 1.169 300 A CA 2.088 54.127 52.037 0.003 0.000 0.635 300 A CB -0.650 18.351 19.000 0.002 0.000 0.810 300 A HN 0.515 nan 8.150 nan 0.000 0.446 301 S N -0.560 115.143 115.700 0.006 0.000 2.442 301 S HA -0.124 4.347 4.470 0.001 0.000 0.236 301 S C 1.646 176.251 174.600 0.007 0.000 1.007 301 S CA 1.303 59.508 58.200 0.008 0.000 0.965 301 S CB -0.151 63.054 63.200 0.010 0.000 0.773 301 S HN 0.431 nan 8.310 nan 0.000 0.504 302 K N 1.384 121.787 120.400 0.006 0.000 2.243 302 K HA 0.224 4.545 4.320 0.001 0.000 0.201 302 K C 1.867 178.470 176.600 0.004 0.000 1.051 302 K CA 0.841 57.131 56.287 0.005 0.000 0.970 302 K CB -0.129 32.374 32.500 0.004 0.000 0.755 302 K HN 0.490 nan 8.250 nan 0.000 0.465 303 K N 0.063 120.465 120.400 0.003 0.000 2.287 303 K HA 0.218 4.538 4.320 0.001 0.000 0.199 303 K C 0.513 177.114 176.600 0.002 0.000 1.061 303 K CA 0.123 56.411 56.287 0.002 0.000 0.976 303 K CB 0.418 32.919 32.500 0.001 0.000 0.898 303 K HN 0.002 nan 8.250 nan 0.000 0.492 304 L N 2.922 124.146 121.223 0.002 0.000 2.257 304 L HA 0.268 4.608 4.340 0.001 0.000 0.290 304 L C -0.327 176.545 176.870 0.002 0.000 1.044 304 L CA -0.492 54.349 54.840 0.001 0.000 0.810 304 L CB 0.957 43.016 42.059 -0.000 0.000 1.193 304 L HN -0.076 nan 8.230 nan 0.000 0.425 305 K N 1.606 122.008 120.400 0.003 0.000 2.098 305 K HA 0.581 4.902 4.320 0.001 0.000 0.261 305 K C 0.477 177.078 176.600 0.002 0.000 0.987 305 K CA -0.490 55.799 56.287 0.005 0.000 0.916 305 K CB 1.605 34.109 32.500 0.007 0.000 1.039 305 K HN 0.693 nan 8.250 nan 0.000 0.455 306 G N 1.117 109.918 108.800 0.002 0.000 2.606 306 G HA2 0.330 4.291 3.960 0.001 0.000 0.262 306 G HA3 0.330 4.291 3.960 0.001 0.000 0.262 306 G C -2.219 172.684 174.900 0.004 0.000 1.394 306 G CA -1.023 44.075 45.100 -0.005 0.000 1.044 306 G HN 0.445 nan 8.290 nan 0.000 0.553 307 P HA 0.245 nan 4.420 nan 0.000 0.262 307 P C 0.556 177.886 177.300 0.050 0.000 1.199 307 P CA 0.522 63.637 63.100 0.025 0.000 0.763 307 P CB 0.748 32.457 31.700 0.015 0.000 0.790 308 Q N 3.397 123.226 119.800 0.048 0.000 2.049 308 Q HA 0.018 4.358 4.340 0.001 0.000 0.198 308 Q C 1.770 177.809 176.000 0.064 0.000 0.971 308 Q CA 2.054 57.885 55.803 0.046 0.000 0.833 308 Q CB -0.830 27.927 28.738 0.031 0.000 0.896 308 Q HN 0.616 nan 8.270 nan 0.000 0.434 309 K N 0.080 120.525 120.400 0.077 0.000 2.901 309 K HA 0.610 4.931 4.320 0.001 0.000 0.199 309 K C -0.885 175.779 176.600 0.107 0.000 1.140 309 K CA -0.625 55.702 56.287 0.066 0.000 1.030 309 K CB -0.424 32.094 32.500 0.030 0.000 1.437 309 K HN 0.557 nan 8.250 nan 0.000 0.552 310 F N 1.180 121.128 119.950 -0.004 0.000 2.444 310 F HA 0.623 5.151 4.527 0.001 0.000 0.342 310 F C -0.247 175.555 175.800 0.004 0.000 1.121 310 F CA -0.838 57.161 58.000 -0.002 0.000 0.997 310 F CB 2.275 41.274 39.000 -0.000 0.000 1.130 310 F HN 0.308 nan 8.300 nan 0.000 0.454 311 Q N 5.735 125.011 119.800 -0.874 0.000 2.285 311 Q HA 0.311 4.652 4.340 0.001 0.000 0.269 311 Q C -1.788 173.639 176.000 -0.955 0.000 1.030 311 Q CA -0.694 54.719 55.803 -0.650 0.000 0.788 311 Q CB 1.455 30.016 28.738 -0.295 0.000 1.266 311 Q HN 0.670 nan 8.270 nan 0.000 0.438 312 F N 2.959 122.486 119.950 -0.705 0.000 2.471 312 F HA 0.434 4.962 4.527 0.001 0.000 0.365 312 F C -0.033 175.605 175.800 -0.270 0.000 1.095 312 F CA 0.558 58.299 58.000 -0.431 0.000 1.174 312 F CB 0.346 39.274 39.000 -0.120 0.000 1.105 312 F HN 0.655 nan 8.300 nan 0.000 0.535 313 D N 4.722 124.614 120.400 -0.847 0.000 2.634 313 D HA 0.578 5.218 4.640 0.001 0.000 0.318 313 D C 0.114 175.956 176.300 -0.764 0.000 1.226 313 D CA 0.066 53.685 54.000 -0.635 0.000 0.899 313 D CB 0.385 40.960 40.800 -0.374 0.000 1.025 313 D HN 0.945 nan 8.370 nan 0.000 0.501 314 G N -0.560 107.510 108.800 -1.216 0.000 2.788 314 G HA2 0.478 4.439 3.960 0.001 0.000 0.293 314 G HA3 0.478 4.439 3.960 0.001 0.000 0.293 314 G C -1.341 173.419 174.900 -0.233 0.000 1.392 314 G CA -0.586 44.086 45.100 -0.712 0.000 0.810 314 G HN 0.200 nan 8.290 nan 0.000 0.508 315 D N 0.083 120.515 120.400 0.053 0.000 2.359 315 D HA 0.182 4.823 4.640 0.001 0.000 0.250 315 D C 1.540 178.071 176.300 0.384 0.000 1.264 315 D CA -0.061 54.050 54.000 0.185 0.000 0.911 315 D CB 0.756 41.635 40.800 0.132 0.000 1.056 315 D HN 0.342 nan 8.370 nan 0.000 0.499 316 K N 2.950 123.601 120.400 0.417 0.000 2.059 316 K HA -0.271 4.050 4.320 0.001 0.000 0.212 316 K C 1.698 178.444 176.600 0.243 0.000 1.050 316 K CA 1.331 57.825 56.287 0.346 0.000 0.927 316 K CB 0.048 32.679 32.500 0.218 0.000 0.714 316 K HN 0.365 nan 8.250 nan 0.000 0.447 317 K N 0.662 121.172 120.400 0.184 0.000 2.057 317 K HA -0.108 4.213 4.320 0.001 0.000 0.207 317 K C 2.267 178.960 176.600 0.155 0.000 1.049 317 K CA 1.543 57.911 56.287 0.136 0.000 0.931 317 K CB 0.022 32.581 32.500 0.098 0.000 0.714 317 K HN -0.028 nan 8.250 nan 0.000 0.440 318 S N 0.257 116.069 115.700 0.187 0.000 2.368 318 S HA -0.142 4.328 4.470 0.001 0.000 0.225 318 S C 1.515 176.246 174.600 0.217 0.000 1.030 318 S CA 1.265 59.573 58.200 0.180 0.000 0.999 318 S CB -0.362 62.950 63.200 0.186 0.000 0.844 318 S HN 0.367 nan 8.310 nan 0.000 0.459 319 F N 1.789 121.838 119.950 0.166 0.000 2.186 319 F HA -0.005 4.523 4.527 0.001 0.000 0.299 319 F C 1.836 177.692 175.800 0.093 0.000 1.090 319 F CA 0.625 58.708 58.000 0.138 0.000 1.307 319 F CB -0.383 38.678 39.000 0.102 0.000 1.019 319 F HN 0.135 nan 8.300 nan 0.000 0.489 320 L N 0.745 122.044 121.223 0.127 0.000 2.042 320 L HA -0.193 4.148 4.340 0.001 0.000 0.210 320 L C 2.295 179.233 176.870 0.115 0.000 1.076 320 L CA 2.313 57.212 54.840 0.098 0.000 0.749 320 L CB -0.992 41.135 42.059 0.114 0.000 0.893 320 L HN 0.244 nan 8.230 nan 0.000 0.432 321 E N -0.637 119.607 120.200 0.073 0.000 2.150 321 E HA -0.212 4.138 4.350 0.001 0.000 0.193 321 E C 1.764 178.295 176.600 -0.115 0.000 0.985 321 E CA 1.350 57.759 56.400 0.015 0.000 0.814 321 E CB -0.202 29.511 29.700 0.022 0.000 0.752 321 E HN 0.518 nan 8.360 nan 0.000 0.466 322 D N 0.302 120.607 120.400 -0.157 0.000 2.104 322 D HA -0.174 4.466 4.640 0.001 0.000 0.194 322 D C 1.976 178.087 176.300 -0.316 0.000 0.994 322 D CA 1.445 55.301 54.000 -0.240 0.000 0.830 322 D CB -0.249 40.364 40.800 -0.313 0.000 0.959 322 D HN 0.336 nan 8.370 nan 0.000 0.452 323 I N 0.509 120.852 120.570 -0.377 0.000 2.208 323 I HA -0.262 3.909 4.170 0.001 0.000 0.245 323 I C 2.649 178.592 176.117 -0.290 0.000 1.097 323 I CA 0.947 62.128 61.300 -0.197 0.000 1.363 323 I CB -0.267 37.747 38.000 0.023 0.000 1.051 323 I HN -0.038 nan 8.210 nan 0.000 0.413 324 R N 1.574 121.784 120.500 -0.483 0.000 2.073 324 R HA -0.199 4.142 4.340 0.001 0.000 0.234 324 R C 2.268 178.177 176.300 -0.651 0.000 1.134 324 R CA 1.711 57.161 56.100 -1.084 0.000 0.952 324 R CB -0.044 29.484 30.300 -1.287 0.000 0.850 324 R HN 0.295 nan 8.270 nan 0.000 0.433 325 K N -0.276 119.867 120.400 -0.429 0.000 2.097 325 K HA -0.034 4.286 4.320 0.001 0.000 0.205 325 K C 2.066 178.412 176.600 -0.424 0.000 1.050 325 K CA 1.148 57.243 56.287 -0.319 0.000 0.938 325 K CB -0.078 32.294 32.500 -0.212 0.000 0.718 325 K HN 0.208 nan 8.250 nan 0.000 0.442 326 A N 1.437 123.972 122.820 -0.476 0.000 1.908 326 A HA -0.176 4.144 4.320 0.001 0.000 0.218 326 A C 2.085 179.082 177.584 -0.978 0.000 1.181 326 A CA 1.272 52.844 52.037 -0.775 0.000 0.627 326 A CB -0.568 18.062 19.000 -0.617 0.000 0.818 326 A HN 0.237 nan 8.150 nan 0.000 0.445 327 L N -1.657 119.216 121.223 -0.584 0.000 2.046 327 L HA -0.153 4.188 4.340 0.001 0.000 0.208 327 L C 2.274 178.973 176.870 -0.284 0.000 1.077 327 L CA 2.307 56.990 54.840 -0.262 0.000 0.747 327 L CB -1.080 40.923 42.059 -0.093 0.000 0.896 327 L HN 0.513 nan 8.230 nan 0.000 0.432 328 Y N 0.362 120.371 120.300 -0.486 0.000 2.145 328 Y HA -0.188 4.363 4.550 0.001 0.000 0.286 328 Y C 2.421 178.043 175.900 -0.463 0.000 1.145 328 Y CA 1.616 59.462 58.100 -0.425 0.000 1.148 328 Y CB -0.884 37.348 38.460 -0.380 0.000 0.981 328 Y HN 0.262 nan 8.280 nan 0.000 0.507 329 A N -0.796 121.571 122.820 -0.754 0.000 1.877 329 A HA -0.176 4.145 4.320 0.001 0.000 0.216 329 A C 2.453 179.465 177.584 -0.954 0.000 1.186 329 A CA 2.129 53.537 52.037 -1.049 0.000 0.620 329 A CB -1.162 16.873 19.000 -1.608 0.000 0.822 329 A HN 0.486 nan 8.150 nan 0.000 0.443 330 S N -0.308 114.827 115.700 -0.942 0.000 2.368 330 S HA -0.167 4.304 4.470 0.001 0.000 0.225 330 S C 2.000 176.513 174.600 -0.145 0.000 1.030 330 S CA 1.442 59.428 58.200 -0.357 0.000 0.999 330 S CB -0.278 62.850 63.200 -0.120 0.000 0.844 330 S HN 0.614 nan 8.310 nan 0.000 0.459 331 K N 1.061 121.344 120.400 -0.195 0.000 2.063 331 K HA -0.100 4.221 4.320 0.001 0.000 0.208 331 K C 1.989 178.560 176.600 -0.049 0.000 1.048 331 K CA 1.242 57.456 56.287 -0.121 0.000 0.928 331 K CB -0.341 31.987 32.500 -0.288 0.000 0.713 331 K HN 0.346 nan 8.250 nan 0.000 0.442 332 I N 1.300 121.774 120.570 -0.160 0.000 2.142 332 I HA -0.322 3.849 4.170 0.001 0.000 0.240 332 I C 2.236 178.444 176.117 0.151 0.000 1.078 332 I CA 0.829 62.199 61.300 0.117 0.000 1.343 332 I CB -0.250 37.745 38.000 -0.008 0.000 1.046 332 I HN 0.145 nan 8.210 nan 0.000 0.405 333 I N 0.216 120.828 120.570 0.069 0.000 2.151 333 I HA -0.346 3.825 4.170 0.001 0.000 0.243 333 I C 2.789 178.943 176.117 0.062 0.000 1.080 333 I CA 1.673 63.040 61.300 0.111 0.000 1.339 333 I CB -1.503 36.623 38.000 0.209 0.000 1.039 333 I HN 0.281 nan 8.210 nan 0.000 0.409 334 S N 0.388 116.144 115.700 0.093 0.000 2.368 334 S HA -0.257 4.214 4.470 0.001 0.000 0.226 334 S C 2.219 176.861 174.600 0.070 0.000 1.044 334 S CA 1.723 59.952 58.200 0.049 0.000 1.062 334 S CB -0.444 62.789 63.200 0.055 0.000 0.931 334 S HN 0.385 nan 8.310 nan 0.000 0.440 335 Y N 1.552 121.941 120.300 0.147 0.000 2.242 335 Y HA 0.066 4.616 4.550 0.001 0.000 0.291 335 Y C 2.743 178.811 175.900 0.281 0.000 1.137 335 Y CA 0.822 59.104 58.100 0.303 0.000 1.181 335 Y CB -0.914 37.812 38.460 0.443 0.000 0.989 335 Y HN 0.382 nan 8.280 nan 0.000 0.527 336 A N -0.155 122.807 122.820 0.238 0.000 1.902 336 A HA -0.260 4.061 4.320 0.001 0.000 0.217 336 A C 2.108 179.742 177.584 0.083 0.000 1.181 336 A CA 1.870 53.967 52.037 0.099 0.000 0.623 336 A CB -0.652 18.359 19.000 0.017 0.000 0.818 336 A HN 0.531 nan 8.150 nan 0.000 0.443 337 Q N -0.883 118.900 119.800 -0.027 0.000 2.046 337 Q HA -0.082 4.258 4.340 0.001 0.000 0.200 337 Q C 2.285 178.285 176.000 -0.001 0.000 0.975 337 Q CA 1.102 56.831 55.803 -0.122 0.000 0.836 337 Q CB -0.496 28.077 28.738 -0.275 0.000 0.896 337 Q HN 0.682 nan 8.270 nan 0.000 0.428 338 G N 0.384 109.204 108.800 0.034 0.000 2.513 338 G HA2 -0.266 3.695 3.960 0.001 0.000 0.219 338 G HA3 -0.266 3.695 3.960 0.001 0.000 0.219 338 G C 1.000 175.918 174.900 0.031 0.000 1.160 338 G CA 0.869 45.978 45.100 0.015 0.000 0.767 338 G HN 0.248 nan 8.290 nan 0.000 0.571 339 F N 0.174 120.185 119.950 0.103 0.000 2.407 339 F HA 0.242 4.770 4.527 0.001 0.000 0.299 339 F C 2.841 178.635 175.800 -0.010 0.000 1.097 339 F CA 0.616 58.664 58.000 0.081 0.000 1.422 339 F CB -0.106 38.987 39.000 0.154 0.000 1.067 339 F HN 0.048 nan 8.300 nan 0.000 0.539 340 M N -0.874 118.814 119.600 0.146 0.000 2.117 340 M HA -0.192 4.289 4.480 0.001 0.000 0.262 340 M C 2.225 178.569 176.300 0.073 0.000 1.065 340 M CA 1.421 56.769 55.300 0.081 0.000 1.114 340 M CB -0.447 32.192 32.600 0.065 0.000 1.361 340 M HN 0.231 nan 8.290 nan 0.000 0.408 341 L N 0.468 121.746 121.223 0.091 0.000 2.109 341 L HA -0.103 4.238 4.340 0.001 0.000 0.207 341 L C 1.992 178.982 176.870 0.200 0.000 1.086 341 L CA 1.657 56.584 54.840 0.146 0.000 0.760 341 L CB -0.478 41.673 42.059 0.154 0.000 0.910 341 L HN 0.228 nan 8.230 nan 0.000 0.437 342 L N -0.622 120.706 121.223 0.176 0.000 2.046 342 L HA -0.224 4.117 4.340 0.001 0.000 0.208 342 L C 2.799 179.787 176.870 0.196 0.000 1.077 342 L CA 1.712 56.693 54.840 0.235 0.000 0.747 342 L CB -0.618 41.542 42.059 0.169 0.000 0.896 342 L HN 0.302 nan 8.230 nan 0.000 0.432 343 R N -0.048 120.482 120.500 0.051 0.000 2.081 343 R HA -0.240 4.100 4.340 0.001 0.000 0.235 343 R C 2.384 178.691 176.300 0.011 0.000 1.131 343 R CA 1.632 57.750 56.100 0.030 0.000 0.960 343 R CB -0.104 30.123 30.300 -0.120 0.000 0.856 343 R HN 0.207 nan 8.270 nan 0.000 0.436 344 Q N 0.319 120.106 119.800 -0.023 0.000 2.084 344 Q HA -0.079 4.262 4.340 0.001 0.000 0.202 344 Q C 1.818 177.634 176.000 -0.305 0.000 0.978 344 Q CA 2.156 57.893 55.803 -0.110 0.000 0.844 344 Q CB -0.334 28.379 28.738 -0.042 0.000 0.898 344 Q HN 0.442 nan 8.270 nan 0.000 0.426 345 A N 0.346 122.977 122.820 -0.315 0.000 1.883 345 A HA -0.111 4.210 4.320 0.001 0.000 0.217 345 A C 2.321 179.574 177.584 -0.551 0.000 1.186 345 A CA 2.119 53.777 52.037 -0.631 0.000 0.624 345 A CB -1.331 17.181 19.000 -0.814 0.000 0.822 345 A HN 0.521 nan 8.150 nan 0.000 0.444 346 A N -0.895 121.800 122.820 -0.210 0.000 1.917 346 A HA -0.162 4.159 4.320 0.001 0.000 0.219 346 A C 2.327 179.781 177.584 -0.217 0.000 1.182 346 A CA 2.580 54.554 52.037 -0.105 0.000 0.633 346 A CB -1.410 17.632 19.000 0.069 0.000 0.819 346 A HN 0.476 nan 8.150 nan 0.000 0.448 347 T N -0.733 113.682 114.554 -0.231 0.000 2.674 347 T HA -0.124 4.227 4.350 0.001 0.000 0.265 347 T C 1.916 176.381 174.700 -0.392 0.000 1.039 347 T CA 1.659 63.618 62.100 -0.235 0.000 1.150 347 T CB -0.280 68.477 68.868 -0.184 0.000 0.864 347 T HN 0.556 nan 8.240 nan 0.000 0.427 348 E N 0.457 120.264 120.200 -0.655 0.000 2.085 348 E HA -0.064 4.287 4.350 0.001 0.000 0.194 348 E C 1.236 177.248 176.600 -0.980 0.000 0.994 348 E CA 1.300 57.121 56.400 -0.965 0.000 0.801 348 E CB -0.199 28.488 29.700 -1.689 0.000 0.743 348 E HN 0.575 nan 8.360 nan 0.000 0.453 349 F N -2.111 117.404 119.950 -0.725 0.000 2.706 349 F HA 0.382 4.910 4.527 0.000 0.000 0.308 349 F C 1.582 177.005 175.800 -0.629 0.000 1.095 349 F CA 0.373 57.861 58.000 -0.854 0.000 1.244 349 F CB 0.777 38.737 39.000 -1.733 0.000 1.063 349 F HN 0.133 nan 8.300 nan 0.000 0.582 350 G N -0.864 107.759 108.800 -0.295 0.000 2.159 350 G HA2 -0.274 3.687 3.960 0.001 0.000 0.256 350 G HA3 -0.274 3.687 3.960 0.001 0.000 0.256 350 G C 0.038 174.977 174.900 0.065 0.000 0.977 350 G CA -0.388 44.657 45.100 -0.091 0.000 0.652 350 G HN 0.125 nan 8.290 nan 0.000 0.531 351 W N 1.758 123.041 121.300 -0.028 0.000 2.223 351 W HA 0.479 5.138 4.660 -0.001 0.000 0.334 351 W C 1.168 177.624 176.519 -0.106 0.000 1.334 351 W CA 0.284 57.583 57.345 -0.077 0.000 1.246 351 W CB -0.129 29.254 29.460 -0.128 0.000 1.184 351 W HN 0.389 nan 8.180 nan 0.000 0.563 352 T N 1.918 116.544 114.554 0.120 0.000 3.316 352 T HA 0.510 4.861 4.350 0.001 0.000 0.341 352 T C 0.030 174.649 174.700 -0.135 0.000 1.397 352 T CA -0.641 61.451 62.100 -0.013 0.000 1.085 352 T CB -0.392 68.471 68.868 -0.008 0.000 1.160 352 T HN 0.182 nan 8.240 nan 0.000 0.694 353 L N 3.029 124.109 121.223 -0.238 0.000 2.349 353 L HA 0.388 4.729 4.340 0.001 0.000 0.275 353 L C 0.704 177.140 176.870 -0.723 0.000 1.115 353 L CA -0.755 53.804 54.840 -0.469 0.000 0.820 353 L CB 0.535 42.286 42.059 -0.512 0.000 1.135 353 L HN 0.517 nan 8.230 nan 0.000 0.445 354 N N 2.171 120.531 118.700 -0.566 0.000 2.589 354 N HA 0.111 4.852 4.740 0.001 0.000 0.232 354 N C 0.330 175.535 175.510 -0.509 0.000 1.015 354 N CA -0.191 52.565 53.050 -0.489 0.000 0.931 354 N CB 0.521 38.847 38.487 -0.270 0.000 1.150 354 N HN 0.318 nan 8.380 nan 0.000 0.512 355 Y N 1.666 121.752 120.300 -0.355 0.000 2.200 355 Y HA 0.068 4.619 4.550 0.002 0.000 0.290 355 Y C 2.309 178.003 175.900 -0.343 0.000 1.137 355 Y CA 1.357 59.157 58.100 -0.500 0.000 1.163 355 Y CB -0.567 37.178 38.460 -1.193 0.000 0.988 355 Y HN 0.575 nan 8.280 nan 0.000 0.518 356 G N -0.158 108.559 108.800 -0.138 0.000 2.442 356 G HA2 -0.206 3.754 3.960 0.001 0.000 0.219 356 G HA3 -0.206 3.754 3.960 0.001 0.000 0.219 356 G C 2.039 176.947 174.900 0.014 0.000 1.141 356 G CA 0.970 46.128 45.100 0.096 0.000 0.763 356 G HN 0.529 nan 8.290 nan 0.000 0.554 357 G N 0.960 109.714 108.800 -0.077 0.000 2.402 357 G HA2 -0.135 3.825 3.960 0.001 0.000 0.216 357 G HA3 -0.135 3.825 3.960 0.001 0.000 0.216 357 G C 1.769 176.567 174.900 -0.170 0.000 1.162 357 G CA 0.736 45.773 45.100 -0.106 0.000 0.777 357 G HN 0.441 nan 8.290 nan 0.000 0.539 358 I N 1.445 121.863 120.570 -0.253 0.000 2.208 358 I HA -0.213 3.957 4.170 0.001 0.000 0.245 358 I C 3.292 179.115 176.117 -0.489 0.000 1.097 358 I CA 1.018 62.033 61.300 -0.475 0.000 1.363 358 I CB -0.197 37.467 38.000 -0.560 0.000 1.051 358 I HN 0.246 nan 8.210 nan 0.000 0.413 359 A N 0.633 123.403 122.820 -0.084 0.000 1.940 359 A HA -0.227 4.094 4.320 0.001 0.000 0.219 359 A C 2.240 179.893 177.584 0.115 0.000 1.176 359 A CA 1.568 53.696 52.037 0.152 0.000 0.631 359 A CB -0.777 18.377 19.000 0.257 0.000 0.814 359 A HN 0.399 nan 8.150 nan 0.000 0.446 360 L N -0.702 120.544 121.223 0.040 0.000 2.083 360 L HA -0.077 4.264 4.340 0.001 0.000 0.209 360 L C 2.354 179.261 176.870 0.060 0.000 1.083 360 L CA 2.000 56.874 54.840 0.056 0.000 0.752 360 L CB -0.654 41.423 42.059 0.029 0.000 0.899 360 L HN 0.447 nan 8.230 nan 0.000 0.433 361 M N -2.202 117.381 119.600 -0.028 0.000 2.159 361 M HA -0.228 4.253 4.480 0.001 0.000 0.263 361 M C 1.311 177.729 176.300 0.197 0.000 1.063 361 M CA 1.394 56.694 55.300 0.001 0.000 1.110 361 M CB -0.332 32.176 32.600 -0.154 0.000 1.374 361 M HN 0.349 nan 8.290 nan 0.000 0.411 362 W N -0.433 120.951 121.300 0.141 0.000 3.256 362 W HA 0.089 4.750 4.660 0.002 0.000 0.269 362 W C 2.001 178.632 176.519 0.186 0.000 1.310 362 W CA 0.118 57.577 57.345 0.191 0.000 1.673 362 W CB -0.883 28.751 29.460 0.290 0.000 1.115 362 W HN 0.196 nan 8.180 nan 0.000 0.686 363 R N 0.980 121.682 120.500 0.336 0.000 2.148 363 R HA 0.059 4.400 4.340 0.001 0.000 0.223 363 R C 0.964 177.384 176.300 0.200 0.000 1.088 363 R CA 1.299 57.547 56.100 0.248 0.000 0.985 363 R CB -0.551 29.851 30.300 0.170 0.000 0.880 363 R HN 0.034 nan 8.270 nan 0.000 0.451 364 G N -4.175 104.732 108.800 0.178 0.000 2.725 364 G HA2 0.459 4.419 3.960 0.001 0.000 0.288 364 G HA3 0.459 4.419 3.960 0.001 0.000 0.288 364 G C 0.227 175.184 174.900 0.095 0.000 1.399 364 G CA -0.332 44.838 45.100 0.117 0.000 0.859 364 G HN 0.287 nan 8.290 nan 0.000 0.479 365 G N -1.442 107.373 108.800 0.025 0.000 2.609 365 G HA2 -0.250 3.711 3.960 0.001 0.000 0.235 365 G HA3 -0.250 3.711 3.960 0.001 0.000 0.235 365 G C 1.201 176.068 174.900 -0.055 0.000 1.177 365 G CA 1.283 46.375 45.100 -0.012 0.000 0.707 365 G HN 2.128 nan 8.290 nan 0.000 0.513 366 C N 0.841 120.151 119.300 0.016 0.000 2.403 366 C HA 0.798 5.259 4.460 0.001 0.000 0.361 366 C C 2.154 177.172 174.990 0.046 0.000 1.274 366 C CA -0.526 58.508 59.018 0.028 0.000 2.433 366 C CB 0.216 28.016 27.740 0.099 0.000 2.323 366 C HN 0.399 nan 8.230 nan 0.000 0.614 367 I N 1.356 122.032 120.570 0.178 0.000 2.493 367 I HA -0.097 4.073 4.170 0.001 0.000 0.254 367 I C 1.964 178.248 176.117 0.278 0.000 1.160 367 I CA 1.816 63.251 61.300 0.226 0.000 1.445 367 I CB -0.858 37.289 38.000 0.245 0.000 1.086 367 I HN 0.827 nan 8.210 nan 0.000 0.433 368 I N 0.089 120.761 120.570 0.169 0.000 3.810 368 I HA 0.125 4.296 4.170 0.001 0.000 0.322 368 I C 1.185 177.458 176.117 0.260 0.000 1.288 368 I CA -0.509 60.865 61.300 0.123 0.000 1.143 368 I CB -0.465 37.454 38.000 -0.135 0.000 1.012 368 I HN 0.086 nan 8.210 nan 0.000 0.423 369 R N 2.365 123.022 120.500 0.262 0.000 2.585 369 R HA 0.363 4.704 4.340 0.001 0.000 0.275 369 R C -0.296 176.172 176.300 0.279 0.000 1.018 369 R CA 0.528 56.789 56.100 0.270 0.000 1.072 369 R CB 0.302 30.714 30.300 0.187 0.000 0.953 369 R HN 0.504 nan 8.270 nan 0.000 0.419 370 S N 0.948 116.814 115.700 0.276 0.000 2.578 370 S HA 0.105 4.576 4.470 0.001 0.000 0.272 370 S C 0.511 175.252 174.600 0.235 0.000 1.145 370 S CA -0.686 57.665 58.200 0.252 0.000 0.835 370 S CB 1.370 64.728 63.200 0.264 0.000 1.104 370 S HN 0.248 nan 8.310 nan 0.000 0.458 371 V N 1.416 121.449 119.914 0.199 0.000 2.332 371 V HA -0.105 4.016 4.120 0.001 0.000 0.248 371 V C 2.106 178.306 176.094 0.178 0.000 1.055 371 V CA 2.623 65.017 62.300 0.155 0.000 1.038 371 V CB -1.351 30.546 31.823 0.124 0.000 0.651 371 V HN 0.845 nan 8.190 nan 0.000 0.450 372 F N 0.482 120.477 119.950 0.075 0.000 2.135 372 F HA -0.295 4.233 4.527 0.001 0.000 0.300 372 F C 1.956 177.794 175.800 0.064 0.000 1.074 372 F CA 1.862 59.912 58.000 0.082 0.000 1.262 372 F CB -0.288 38.737 39.000 0.043 0.000 1.013 372 F HN 0.088 nan 8.300 nan 0.000 0.489 373 L N -0.632 120.673 121.223 0.137 0.000 2.217 373 L HA -0.076 4.265 4.340 0.001 0.000 0.211 373 L C 2.751 179.647 176.870 0.042 0.000 1.107 373 L CA 0.996 55.907 54.840 0.117 0.000 0.783 373 L CB -1.270 40.982 42.059 0.322 0.000 0.919 373 L HN 0.302 nan 8.230 nan 0.000 0.442 374 G N -0.316 108.491 108.800 0.013 0.000 2.422 374 G HA2 -0.192 3.769 3.960 0.001 0.000 0.218 374 G HA3 -0.192 3.769 3.960 0.001 0.000 0.218 374 G C 1.692 176.512 174.900 -0.134 0.000 1.140 374 G CA 0.309 45.389 45.100 -0.033 0.000 0.775 374 G HN 0.127 nan 8.290 nan 0.000 0.545 375 K N 0.455 120.703 120.400 -0.254 0.000 2.097 375 K HA 0.092 4.413 4.320 0.001 0.000 0.205 375 K C 2.390 178.887 176.600 -0.171 0.000 1.050 375 K CA 0.474 56.492 56.287 -0.449 0.000 0.938 375 K CB -0.456 31.501 32.500 -0.905 0.000 0.718 375 K HN 0.405 nan 8.250 nan 0.000 0.442 376 I N 1.044 121.539 120.570 -0.125 0.000 2.179 376 I HA -0.287 3.884 4.170 0.001 0.000 0.242 376 I C 2.594 178.672 176.117 -0.066 0.000 1.088 376 I CA 1.210 62.389 61.300 -0.201 0.000 1.357 376 I CB -0.249 37.577 38.000 -0.292 0.000 1.051 376 I HN 0.169 nan 8.210 nan 0.000 0.409 377 K N 1.008 121.421 120.400 0.021 0.000 2.063 377 K HA -0.235 4.086 4.320 0.001 0.000 0.208 377 K C 1.696 178.324 176.600 0.047 0.000 1.048 377 K CA 1.962 58.304 56.287 0.091 0.000 0.928 377 K CB -0.032 32.505 32.500 0.063 0.000 0.713 377 K HN 0.221 nan 8.250 nan 0.000 0.442 378 D N 0.400 120.776 120.400 -0.041 0.000 2.104 378 D HA -0.171 4.470 4.640 0.001 0.000 0.194 378 D C 1.828 178.092 176.300 -0.060 0.000 0.994 378 D CA 1.500 55.461 54.000 -0.065 0.000 0.830 378 D CB -0.388 40.322 40.800 -0.150 0.000 0.959 378 D HN 0.377 nan 8.370 nan 0.000 0.452 379 A N 0.456 123.208 122.820 -0.113 0.000 1.883 379 A HA -0.191 4.129 4.320 0.001 0.000 0.217 379 A C 2.047 179.503 177.584 -0.213 0.000 1.186 379 A CA 1.233 53.159 52.037 -0.185 0.000 0.624 379 A CB -1.042 17.781 19.000 -0.294 0.000 0.822 379 A HN 0.160 nan 8.150 nan 0.000 0.444 380 F N 0.542 120.478 119.950 -0.023 0.000 2.325 380 F HA -0.074 4.455 4.527 0.002 0.000 0.299 380 F C 1.963 177.779 175.800 0.026 0.000 1.090 380 F CA 1.080 59.089 58.000 0.015 0.000 1.392 380 F CB -0.404 38.623 39.000 0.044 0.000 1.053 380 F HN 0.205 nan 8.300 nan 0.000 0.521 381 D N 0.083 120.578 120.400 0.158 0.000 2.084 381 D HA -0.122 4.519 4.640 0.001 0.000 0.194 381 D C 2.326 178.667 176.300 0.068 0.000 0.990 381 D CA 1.156 55.213 54.000 0.095 0.000 0.826 381 D CB -0.343 40.489 40.800 0.052 0.000 0.971 381 D HN 0.212 nan 8.370 nan 0.000 0.453 382 R N -0.145 120.379 120.500 0.040 0.000 2.152 382 R HA -0.044 4.296 4.340 0.001 0.000 0.232 382 R C 0.391 176.718 176.300 0.045 0.000 1.117 382 R CA 0.756 56.874 56.100 0.029 0.000 0.981 382 R CB -0.053 30.253 30.300 0.009 0.000 0.870 382 R HN 0.019 nan 8.270 nan 0.000 0.451 383 N N -0.868 117.871 118.700 0.065 0.000 2.827 383 N HA 0.136 4.877 4.740 0.001 0.000 0.240 383 N C -2.567 173.051 175.510 0.181 0.000 1.352 383 N CA -1.668 51.436 53.050 0.090 0.000 0.760 383 N CB 1.498 40.018 38.487 0.054 0.000 1.426 383 N HN -0.282 nan 8.380 nan 0.000 0.561 384 P HA -0.003 nan 4.420 nan 0.000 0.228 384 P C 0.329 177.809 177.300 0.300 0.000 1.151 384 P CA 0.892 64.156 63.100 0.275 0.000 0.770 384 P CB 0.489 32.285 31.700 0.161 0.000 0.786 385 E N -1.597 118.734 120.200 0.219 0.000 2.481 385 E HA 0.105 4.456 4.350 0.001 0.000 0.198 385 E C 0.670 177.375 176.600 0.176 0.000 1.027 385 E CA -0.673 55.840 56.400 0.189 0.000 0.900 385 E CB -0.840 28.935 29.700 0.125 0.000 0.993 385 E HN 0.111 nan 8.360 nan 0.000 0.482 386 L N 2.343 123.675 121.223 0.182 0.000 2.769 386 L HA -0.167 4.173 4.340 0.001 0.000 0.293 386 L C 1.275 178.222 176.870 0.127 0.000 1.224 386 L CA 0.768 55.678 54.840 0.116 0.000 0.906 386 L CB 0.538 42.600 42.059 0.005 0.000 1.193 386 L HN 0.033 nan 8.230 nan 0.000 0.488 387 Q N 2.944 122.802 119.800 0.096 0.000 2.331 387 Q HA 0.096 4.437 4.340 0.001 0.000 0.203 387 Q C 0.129 176.192 176.000 0.105 0.000 0.944 387 Q CA 0.770 56.635 55.803 0.103 0.000 0.892 387 Q CB 0.042 28.851 28.738 0.117 0.000 0.983 387 Q HN 0.821 nan 8.270 nan 0.000 0.482 388 N N -1.223 117.525 118.700 0.080 0.000 2.516 388 N HA 0.149 4.890 4.740 0.001 0.000 0.268 388 N C 0.046 175.528 175.510 -0.046 0.000 1.096 388 N CA -0.218 52.860 53.050 0.046 0.000 0.954 388 N CB 0.966 39.521 38.487 0.114 0.000 1.676 388 N HN -0.172 nan 8.380 nan 0.000 0.490 389 L N 2.034 123.164 121.223 -0.156 0.000 2.129 389 L HA -0.159 4.182 4.340 0.001 0.000 0.212 389 L C 1.659 178.455 176.870 -0.123 0.000 1.087 389 L CA 1.230 55.866 54.840 -0.340 0.000 0.757 389 L CB -0.296 41.413 42.059 -0.585 0.000 0.896 389 L HN 0.676 nan 8.230 nan 0.000 0.434 390 L N -0.704 120.531 121.223 0.020 0.000 2.275 390 L HA -0.198 4.143 4.340 0.001 0.000 0.215 390 L C 2.247 179.228 176.870 0.184 0.000 1.119 390 L CA 0.755 55.694 54.840 0.166 0.000 0.790 390 L CB -0.292 41.925 42.059 0.264 0.000 0.919 390 L HN 0.317 nan 8.230 nan 0.000 0.443 391 L N -0.893 120.413 121.223 0.139 0.000 2.395 391 L HA -0.033 4.308 4.340 0.001 0.000 0.218 391 L C 0.695 177.618 176.870 0.088 0.000 1.130 391 L CA 0.025 54.935 54.840 0.117 0.000 0.826 391 L CB -0.373 41.747 42.059 0.102 0.000 0.941 391 L HN 0.190 nan 8.230 nan 0.000 0.451 392 D N -0.250 120.202 120.400 0.087 0.000 2.382 392 D HA -0.049 4.592 4.640 0.001 0.000 0.245 392 D C 0.858 177.249 176.300 0.152 0.000 1.120 392 D CA -0.110 53.954 54.000 0.108 0.000 0.890 392 D CB 0.977 41.854 40.800 0.128 0.000 1.201 392 D HN -0.058 nan 8.370 nan 0.000 0.433 393 D N 2.450 122.914 120.400 0.106 0.000 2.123 393 D HA -0.196 4.445 4.640 0.001 0.000 0.196 393 D C 1.555 177.890 176.300 0.058 0.000 0.992 393 D CA 0.823 54.868 54.000 0.075 0.000 0.833 393 D CB -0.291 40.540 40.800 0.052 0.000 0.954 393 D HN 0.520 nan 8.370 nan 0.000 0.455 394 F N 0.286 120.184 119.950 -0.088 0.000 2.126 394 F HA -0.236 4.292 4.527 0.001 0.000 0.299 394 F C 1.942 177.545 175.800 -0.329 0.000 1.096 394 F CA 1.448 59.296 58.000 -0.254 0.000 1.255 394 F CB -0.270 38.473 39.000 -0.429 0.000 0.997 394 F HN -0.135 nan 8.300 nan 0.000 0.479 395 F N 0.463 120.444 119.950 0.051 0.000 2.270 395 F HA 0.025 4.552 4.527 0.001 0.000 0.295 395 F C 2.434 178.185 175.800 -0.082 0.000 1.087 395 F CA 1.243 59.214 58.000 -0.048 0.000 1.365 395 F CB -0.802 38.209 39.000 0.018 0.000 1.056 395 F HN -0.141 nan 8.300 nan 0.000 0.506 396 K N 0.335 120.817 120.400 0.137 0.000 2.032 396 K HA -0.166 4.154 4.320 0.001 0.000 0.209 396 K C 2.175 178.779 176.600 0.005 0.000 1.048 396 K CA 1.908 58.255 56.287 0.100 0.000 0.927 396 K CB -0.305 32.257 32.500 0.103 0.000 0.712 396 K HN 0.118 nan 8.250 nan 0.000 0.441 397 S N 0.691 116.348 115.700 -0.073 0.000 2.356 397 S HA -0.141 4.330 4.470 0.001 0.000 0.223 397 S C 2.062 176.558 174.600 -0.173 0.000 1.032 397 S CA 1.166 59.294 58.200 -0.120 0.000 1.005 397 S CB -0.369 62.738 63.200 -0.154 0.000 0.867 397 S HN 0.549 nan 8.310 nan 0.000 0.449 398 A N 1.285 123.927 122.820 -0.296 0.000 1.873 398 A HA -0.109 4.211 4.320 0.001 0.000 0.218 398 A C 2.369 179.841 177.584 -0.187 0.000 1.193 398 A CA 1.910 53.785 52.037 -0.270 0.000 0.629 398 A CB -1.110 17.649 19.000 -0.401 0.000 0.826 398 A HN 0.346 nan 8.150 nan 0.000 0.447 399 V N 0.090 119.893 119.914 -0.184 0.000 2.343 399 V HA -0.239 3.882 4.120 0.001 0.000 0.247 399 V C 2.617 178.638 176.094 -0.122 0.000 1.051 399 V CA 2.442 64.622 62.300 -0.201 0.000 1.036 399 V CB -0.772 30.940 31.823 -0.185 0.000 0.654 399 V HN 0.747 nan 8.190 nan 0.000 0.451 400 E N 1.042 121.209 120.200 -0.055 0.000 2.085 400 E HA -0.225 4.126 4.350 0.001 0.000 0.194 400 E C 1.999 178.588 176.600 -0.018 0.000 0.994 400 E CA 1.780 58.178 56.400 -0.003 0.000 0.801 400 E CB -0.470 29.240 29.700 0.016 0.000 0.743 400 E HN 0.601 nan 8.360 nan 0.000 0.453 401 N N -0.909 117.762 118.700 -0.048 0.000 2.381 401 N HA -0.099 4.641 4.740 0.001 0.000 0.182 401 N C 1.054 176.540 175.510 -0.041 0.000 1.025 401 N CA 1.166 54.189 53.050 -0.045 0.000 0.888 401 N CB -0.044 38.404 38.487 -0.065 0.000 0.965 401 N HN 0.288 nan 8.380 nan 0.000 0.438 402 C N 0.154 119.419 119.300 -0.058 0.000 2.673 402 C HA 0.127 4.588 4.460 0.001 0.000 0.264 402 C C 2.587 177.595 174.990 0.029 0.000 1.304 402 C CA -0.411 58.567 59.018 -0.066 0.000 1.727 402 C CB -0.494 27.139 27.740 -0.179 0.000 1.932 402 C HN 0.461 nan 8.230 nan 0.000 0.563 403 Q N 1.355 121.194 119.800 0.065 0.000 2.045 403 Q HA -0.278 4.063 4.340 0.001 0.000 0.206 403 Q C 1.757 177.837 176.000 0.133 0.000 0.991 403 Q CA 2.247 58.141 55.803 0.151 0.000 0.851 403 Q CB -0.156 28.635 28.738 0.087 0.000 0.911 403 Q HN 0.593 nan 8.270 nan 0.000 0.418 404 D N -0.826 119.621 120.400 0.079 0.000 2.097 404 D HA -0.108 4.533 4.640 0.001 0.000 0.195 404 D C 1.900 178.248 176.300 0.081 0.000 0.989 404 D CA 1.585 55.626 54.000 0.068 0.000 0.827 404 D CB -0.103 40.727 40.800 0.050 0.000 0.966 404 D HN 0.125 nan 8.370 nan 0.000 0.456 405 S N -0.520 115.219 115.700 0.065 0.000 2.382 405 S HA -0.130 4.340 4.470 0.001 0.000 0.228 405 S C 1.569 176.220 174.600 0.086 0.000 1.027 405 S CA 0.718 58.944 58.200 0.044 0.000 0.991 405 S CB -0.401 62.783 63.200 -0.027 0.000 0.823 405 S HN 0.451 nan 8.310 nan 0.000 0.469 406 W N 3.040 124.257 121.300 -0.137 0.000 2.317 406 W HA -0.104 4.556 4.660 0.001 0.000 0.318 406 W C 2.191 178.655 176.519 -0.092 0.000 1.227 406 W CA 1.178 58.415 57.345 -0.181 0.000 1.269 406 W CB -0.771 28.568 29.460 -0.203 0.000 1.155 406 W HN 0.219 nan 8.180 nan 0.000 0.484 407 R N -0.548 119.992 120.500 0.066 0.000 2.115 407 R HA -0.114 4.227 4.340 0.001 0.000 0.230 407 R C 2.404 178.747 176.300 0.071 0.000 1.111 407 R CA 1.475 57.560 56.100 -0.024 0.000 0.976 407 R CB -0.587 29.693 30.300 -0.032 0.000 0.870 407 R HN 0.151 nan 8.270 nan 0.000 0.445 408 R N 0.857 121.429 120.500 0.120 0.000 2.066 408 R HA -0.092 4.249 4.340 0.001 0.000 0.232 408 R C 2.195 178.667 176.300 0.287 0.000 1.131 408 R CA 1.479 57.693 56.100 0.190 0.000 0.955 408 R CB -0.220 30.199 30.300 0.199 0.000 0.851 408 R HN 0.218 nan 8.270 nan 0.000 0.432 409 A N 0.223 123.175 122.820 0.219 0.000 1.877 409 A HA -0.120 4.200 4.320 0.001 0.000 0.216 409 A C 2.263 180.045 177.584 0.330 0.000 1.186 409 A CA 1.705 53.892 52.037 0.251 0.000 0.620 409 A CB -0.644 18.382 19.000 0.044 0.000 0.822 409 A HN 0.234 nan 8.150 nan 0.000 0.443 410 V N -0.538 119.518 119.914 0.236 0.000 2.307 410 V HA -0.202 3.918 4.120 0.001 0.000 0.245 410 V C 2.803 178.988 176.094 0.153 0.000 1.045 410 V CA 2.290 64.714 62.300 0.207 0.000 1.024 410 V CB -0.792 31.092 31.823 0.103 0.000 0.651 410 V HN 0.554 nan 8.190 nan 0.000 0.449 411 S N -0.292 115.488 115.700 0.133 0.000 2.370 411 S HA -0.209 4.261 4.470 0.001 0.000 0.226 411 S C 2.089 176.763 174.600 0.124 0.000 1.033 411 S CA 2.090 60.355 58.200 0.109 0.000 1.011 411 S CB -0.358 62.905 63.200 0.106 0.000 0.852 411 S HN 0.734 nan 8.310 nan 0.000 0.457 412 T N 1.091 115.764 114.554 0.197 0.000 2.777 412 T HA -0.024 4.326 4.350 0.001 0.000 0.266 412 T C 2.036 176.744 174.700 0.014 0.000 1.040 412 T CA 1.220 63.422 62.100 0.171 0.000 1.141 412 T CB -0.886 68.141 68.868 0.264 0.000 0.868 412 T HN 0.517 nan 8.240 nan 0.000 0.444 413 G N 1.259 110.119 108.800 0.100 0.000 2.446 413 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 413 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 413 G C 1.712 176.556 174.900 -0.093 0.000 1.168 413 G CA 0.922 46.022 45.100 0.001 0.000 0.771 413 G HN 0.421 nan 8.290 nan 0.000 0.551 414 V N 0.380 120.279 119.914 -0.025 0.000 2.343 414 V HA -0.248 3.873 4.120 0.001 0.000 0.247 414 V C 2.909 178.949 176.094 -0.090 0.000 1.051 414 V CA 2.378 64.655 62.300 -0.039 0.000 1.036 414 V CB -0.519 31.308 31.823 0.007 0.000 0.654 414 V HN 0.420 nan 8.190 nan 0.000 0.451 415 Q N -0.583 119.159 119.800 -0.097 0.000 2.167 415 Q HA -0.067 4.273 4.340 0.001 0.000 0.202 415 Q C 2.239 178.015 176.000 -0.373 0.000 0.970 415 Q CA 1.563 57.305 55.803 -0.102 0.000 0.855 415 Q CB -0.343 28.437 28.738 0.071 0.000 0.911 415 Q HN 0.680 nan 8.270 nan 0.000 0.438 416 A N -0.298 122.055 122.820 -0.780 0.000 2.119 416 A HA 0.199 4.520 4.320 0.001 0.000 0.216 416 A C 1.540 178.847 177.584 -0.462 0.000 1.152 416 A CA 0.955 52.325 52.037 -1.112 0.000 0.708 416 A CB -0.376 17.912 19.000 -1.187 0.000 0.805 416 A HN 0.460 nan 8.150 nan 0.000 0.460 417 G N -1.155 107.470 108.800 -0.293 0.000 2.132 417 G HA2 -0.164 3.797 3.960 0.001 0.000 0.228 417 G HA3 -0.164 3.797 3.960 0.001 0.000 0.228 417 G C -0.142 174.645 174.900 -0.188 0.000 1.000 417 G CA 0.073 45.067 45.100 -0.176 0.000 0.693 417 G HN 0.296 nan 8.290 nan 0.000 0.515 418 I N 1.480 121.905 120.570 -0.241 0.000 2.352 418 I HA 0.311 4.482 4.170 0.001 0.000 0.290 418 I C -1.848 174.161 176.117 -0.180 0.000 1.036 418 I CA -3.438 57.673 61.300 -0.315 0.000 1.336 418 I CB 0.558 38.329 38.000 -0.382 0.000 1.407 418 I HN -0.122 nan 8.210 nan 0.000 0.497 419 P HA 0.240 nan 4.420 nan 0.000 0.271 419 P C -0.492 176.798 177.300 -0.016 0.000 1.233 419 P CA 0.054 63.140 63.100 -0.024 0.000 0.764 419 P CB 0.266 31.988 31.700 0.037 0.000 0.825 420 M N 5.578 125.181 119.600 0.006 0.000 2.952 420 M HA 0.223 4.703 4.480 0.001 0.000 0.259 420 M C -1.716 174.633 176.300 0.082 0.000 1.306 420 M CA -1.498 53.804 55.300 0.004 0.000 0.626 420 M CB 1.898 34.521 32.600 0.039 0.000 1.423 420 M HN 0.141 nan 8.290 nan 0.000 0.459 421 P HA -0.156 nan 4.420 nan 0.000 0.216 421 P C 1.014 178.404 177.300 0.150 0.000 1.153 421 P CA 1.730 64.894 63.100 0.107 0.000 0.858 421 P CB 0.211 31.971 31.700 0.099 0.000 0.789 422 C N -2.387 117.005 119.300 0.152 0.000 2.492 422 C HA 0.084 4.545 4.460 0.001 0.000 0.279 422 C C 2.681 177.905 174.990 0.390 0.000 1.335 422 C CA -0.036 59.112 59.018 0.218 0.000 1.734 422 C CB -1.929 25.911 27.740 0.166 0.000 2.027 422 C HN 0.080 nan 8.230 nan 0.000 0.496 423 F N 2.478 122.540 119.950 0.187 0.000 2.095 423 F HA -0.166 4.362 4.527 0.001 0.000 0.298 423 F C 2.807 178.773 175.800 0.277 0.000 1.104 423 F CA 2.163 60.330 58.000 0.279 0.000 1.232 423 F CB -1.549 37.599 39.000 0.246 0.000 0.987 423 F HN 0.332 nan 8.300 nan 0.000 0.475 424 T N -4.233 110.543 114.554 0.370 0.000 2.812 424 T HA -0.163 4.187 4.350 0.001 0.000 0.264 424 T C 2.083 176.896 174.700 0.189 0.000 1.042 424 T CA 1.720 63.945 62.100 0.207 0.000 1.140 424 T CB -1.065 67.890 68.868 0.145 0.000 0.870 424 T HN 0.222 nan 8.240 nan 0.000 0.445 425 T N 1.198 115.883 114.554 0.218 0.000 2.821 425 T HA 0.096 4.447 4.350 0.001 0.000 0.267 425 T C 2.229 177.095 174.700 0.277 0.000 1.046 425 T CA 1.478 63.706 62.100 0.213 0.000 1.139 425 T CB -0.912 68.068 68.868 0.187 0.000 0.871 425 T HN 0.557 nan 8.240 nan 0.000 0.454 426 A N 1.067 124.089 122.820 0.336 0.000 1.902 426 A HA 0.038 4.359 4.320 0.001 0.000 0.217 426 A C 2.226 180.116 177.584 0.511 0.000 1.181 426 A CA 1.682 53.991 52.037 0.453 0.000 0.623 426 A CB -0.876 18.434 19.000 0.517 0.000 0.818 426 A HN 0.535 nan 8.150 nan 0.000 0.443 427 L N -0.285 121.087 121.223 0.247 0.000 2.056 427 L HA -0.048 4.293 4.340 0.001 0.000 0.207 427 L C 2.487 179.347 176.870 -0.018 0.000 1.078 427 L CA 2.467 57.112 54.840 -0.325 0.000 0.749 427 L CB -0.709 40.877 42.059 -0.789 0.000 0.901 427 L HN 0.269 nan 8.230 nan 0.000 0.433 428 S N -0.589 115.156 115.700 0.075 0.000 2.374 428 S HA -0.242 4.229 4.470 0.001 0.000 0.227 428 S C 1.823 176.525 174.600 0.170 0.000 1.037 428 S CA 1.865 60.126 58.200 0.102 0.000 1.024 428 S CB -0.697 62.572 63.200 0.115 0.000 0.861 428 S HN 0.580 nan 8.310 nan 0.000 0.456 429 F N 0.994 121.026 119.950 0.138 0.000 2.134 429 F HA -0.146 4.382 4.527 0.001 0.000 0.299 429 F C 2.119 178.051 175.800 0.219 0.000 1.097 429 F CA 1.438 59.538 58.000 0.167 0.000 1.264 429 F CB -0.568 38.532 39.000 0.167 0.000 1.001 429 F HN 0.248 nan 8.300 nan 0.000 0.479 430 Y N 1.382 121.838 120.300 0.260 0.000 2.128 430 Y HA -0.278 4.273 4.550 0.001 0.000 0.284 430 Y C 2.244 178.175 175.900 0.052 0.000 1.154 430 Y CA 2.279 60.490 58.100 0.186 0.000 1.149 430 Y CB -0.864 37.752 38.460 0.261 0.000 0.976 430 Y HN 0.067 nan 8.280 nan 0.000 0.505 431 D N -0.458 119.922 120.400 -0.034 0.000 2.144 431 D HA -0.116 4.525 4.640 0.001 0.000 0.199 431 D C 2.326 178.633 176.300 0.012 0.000 0.984 431 D CA 1.416 55.379 54.000 -0.062 0.000 0.834 431 D CB -0.762 40.060 40.800 0.038 0.000 0.955 431 D HN 0.551 nan 8.370 nan 0.000 0.465 432 G N -0.362 108.402 108.800 -0.060 0.000 2.404 432 G HA2 -0.295 3.666 3.960 0.001 0.000 0.215 432 G HA3 -0.295 3.666 3.960 0.001 0.000 0.215 432 G C 1.589 176.409 174.900 -0.133 0.000 1.174 432 G CA 0.365 45.415 45.100 -0.084 0.000 0.780 432 G HN 0.264 nan 8.290 nan 0.000 0.537 433 Y N 2.406 122.430 120.300 -0.461 0.000 2.274 433 Y HA -0.108 4.442 4.550 0.001 0.000 0.290 433 Y C 2.833 178.561 175.900 -0.287 0.000 1.145 433 Y CA 1.738 59.567 58.100 -0.451 0.000 1.203 433 Y CB 0.006 38.062 38.460 -0.673 0.000 0.984 433 Y HN 0.302 nan 8.280 nan 0.000 0.533 434 R N -1.178 119.118 120.500 -0.339 0.000 2.299 434 R HA 0.015 4.356 4.340 0.001 0.000 0.197 434 R C -0.479 175.604 176.300 -0.362 0.000 0.971 434 R CA 0.306 56.163 56.100 -0.406 0.000 1.030 434 R CB -0.738 29.243 30.300 -0.530 0.000 0.932 434 R HN 0.306 nan 8.270 nan 0.000 0.477 435 H N 1.174 120.091 119.070 -0.254 0.000 2.604 435 H HA 0.075 4.632 4.556 0.001 0.000 0.306 435 H C 0.565 175.794 175.328 -0.167 0.000 1.075 435 H CA -0.191 55.749 56.048 -0.178 0.000 1.357 435 H CB 1.934 31.611 29.762 -0.141 0.000 1.426 435 H HN 0.225 nan 8.280 nan 0.000 0.470 436 E N 3.226 123.402 120.200 -0.040 0.000 2.106 436 E HA -0.081 4.270 4.350 0.001 0.000 0.192 436 E C -0.186 176.408 176.600 -0.010 0.000 0.984 436 E CA 0.848 57.219 56.400 -0.048 0.000 0.806 436 E CB 0.351 30.019 29.700 -0.053 0.000 0.750 436 E HN 0.427 nan 8.360 nan 0.000 0.458 437 M N 1.439 121.059 119.600 0.033 0.000 2.294 437 M HA 0.403 4.883 4.480 0.001 0.000 0.335 437 M C -0.657 175.631 176.300 -0.019 0.000 1.079 437 M CA -0.494 54.812 55.300 0.010 0.000 0.982 437 M CB 1.682 34.288 32.600 0.010 0.000 1.651 437 M HN 0.004 nan 8.290 nan 0.000 0.437 438 L N 3.797 124.993 121.223 -0.046 0.000 2.323 438 L HA 0.511 4.852 4.340 0.001 0.000 0.265 438 L C -1.412 175.417 176.870 -0.069 0.000 1.012 438 L CA -1.614 53.174 54.840 -0.087 0.000 0.820 438 L CB 2.250 44.269 42.059 -0.066 0.000 1.334 438 L HN 0.454 nan 8.230 nan 0.000 0.427 439 P HA 0.022 nan 4.420 nan 0.000 0.247 439 P C 0.900 178.174 177.300 -0.043 0.000 1.225 439 P CA 0.189 63.252 63.100 -0.061 0.000 0.768 439 P CB 0.184 31.842 31.700 -0.069 0.000 1.020 440 A N 0.810 123.611 122.820 -0.031 0.000 2.024 440 A HA -0.196 4.125 4.320 0.001 0.000 0.220 440 A C 2.332 179.910 177.584 -0.011 0.000 1.164 440 A CA 1.968 53.997 52.037 -0.013 0.000 0.643 440 A CB -1.324 17.678 19.000 0.003 0.000 0.806 440 A HN 0.394 nan 8.150 nan 0.000 0.451 441 S N -0.253 115.438 115.700 -0.016 0.000 2.400 441 S HA -0.176 4.295 4.470 0.001 0.000 0.232 441 S C 1.770 176.340 174.600 -0.049 0.000 1.025 441 S CA 1.436 59.625 58.200 -0.018 0.000 0.993 441 S CB -0.568 62.622 63.200 -0.017 0.000 0.808 441 S HN 0.497 nan 8.310 nan 0.000 0.478 442 L N 1.298 122.486 121.223 -0.058 0.000 2.093 442 L HA 0.218 4.558 4.340 0.001 0.000 0.208 442 L C 2.090 178.901 176.870 -0.098 0.000 1.085 442 L CA 1.230 56.016 54.840 -0.090 0.000 0.755 442 L CB -0.755 41.257 42.059 -0.079 0.000 0.904 442 L HN 0.257 nan 8.230 nan 0.000 0.435 443 I N -0.470 120.066 120.570 -0.057 0.000 2.163 443 I HA -0.319 3.852 4.170 0.001 0.000 0.243 443 I C 2.535 178.619 176.117 -0.054 0.000 1.085 443 I CA 1.224 62.501 61.300 -0.039 0.000 1.347 443 I CB -0.483 37.511 38.000 -0.009 0.000 1.044 443 I HN 0.342 nan 8.210 nan 0.000 0.408 444 Q N 0.235 120.018 119.800 -0.029 0.000 2.096 444 Q HA -0.198 4.143 4.340 0.001 0.000 0.204 444 Q C 2.483 178.454 176.000 -0.048 0.000 0.982 444 Q CA 1.957 57.768 55.803 0.013 0.000 0.850 444 Q CB -0.659 28.128 28.738 0.082 0.000 0.901 444 Q HN 0.619 nan 8.270 nan 0.000 0.422 445 A N 0.921 123.645 122.820 -0.159 0.000 1.877 445 A HA -0.236 4.084 4.320 0.001 0.000 0.216 445 A C 2.121 179.404 177.584 -0.502 0.000 1.186 445 A CA 1.614 53.438 52.037 -0.354 0.000 0.620 445 A CB -0.526 18.221 19.000 -0.421 0.000 0.822 445 A HN 0.413 nan 8.150 nan 0.000 0.443 446 Q N -0.700 118.885 119.800 -0.358 0.000 2.050 446 Q HA -0.172 4.169 4.340 0.001 0.000 0.202 446 Q C 2.382 178.056 176.000 -0.544 0.000 0.980 446 Q CA 1.642 57.255 55.803 -0.317 0.000 0.840 446 Q CB -0.207 28.478 28.738 -0.087 0.000 0.898 446 Q HN 0.612 nan 8.270 nan 0.000 0.424 447 R N 0.432 120.641 120.500 -0.485 0.000 2.091 447 R HA -0.167 4.174 4.340 0.001 0.000 0.238 447 R C 1.865 177.924 176.300 -0.401 0.000 1.136 447 R CA 1.585 57.312 56.100 -0.622 0.000 0.959 447 R CB -0.210 29.992 30.300 -0.163 0.000 0.856 447 R HN 0.260 nan 8.270 nan 0.000 0.437 448 D N -0.377 119.960 120.400 -0.105 0.000 2.183 448 D HA -0.170 4.471 4.640 0.001 0.000 0.203 448 D C 1.625 178.011 176.300 0.144 0.000 0.969 448 D CA 0.815 54.918 54.000 0.172 0.000 0.842 448 D CB 0.011 41.140 40.800 0.547 0.000 0.957 448 D HN 0.260 nan 8.370 nan 0.000 0.484 449 Y N -0.237 119.852 120.300 -0.352 0.000 2.163 449 Y HA -0.185 4.366 4.550 0.001 0.000 0.288 449 Y C 1.754 177.632 175.900 -0.038 0.000 1.136 449 Y CA 1.942 59.840 58.100 -0.335 0.000 1.147 449 Y CB -0.223 37.822 38.460 -0.692 0.000 0.987 449 Y HN 0.103 nan 8.280 nan 0.000 0.509 450 F N -1.807 118.311 119.950 0.279 0.000 2.530 450 F HA 0.431 4.959 4.527 0.001 0.000 0.292 450 F C 1.783 177.624 175.800 0.068 0.000 1.109 450 F CA 0.776 58.898 58.000 0.203 0.000 1.450 450 F CB -0.793 38.306 39.000 0.165 0.000 1.114 450 F HN -0.118 nan 8.300 nan 0.000 0.560 451 G N -0.816 107.887 108.800 -0.161 0.000 3.274 451 G HA2 0.405 4.366 3.960 0.001 0.000 0.250 451 G HA3 0.405 4.366 3.960 0.001 0.000 0.250 451 G C 0.879 175.436 174.900 -0.572 0.000 1.024 451 G CA -0.024 44.892 45.100 -0.305 0.000 0.840 451 G HN 0.815 nan 8.290 nan 0.000 0.522 452 A N 0.681 123.332 122.820 -0.283 0.000 2.745 452 A HA -0.232 4.089 4.320 0.001 0.000 0.296 452 A C 1.233 178.653 177.584 -0.273 0.000 1.500 452 A CA 1.086 52.959 52.037 -0.273 0.000 0.766 452 A CB -2.369 16.285 19.000 -0.576 0.000 1.030 452 A HN 0.551 nan 8.150 nan 0.000 0.489 453 H N 0.225 119.271 119.070 -0.040 0.000 2.555 453 H HA 0.107 4.664 4.556 0.001 0.000 0.269 453 H C 1.467 176.795 175.328 -0.001 0.000 0.988 453 H CA 2.199 58.201 56.048 -0.076 0.000 1.178 453 H CB -0.238 29.448 29.762 -0.127 0.000 1.373 453 H HN 1.657 nan 8.280 nan 0.000 0.588 454 T N -1.111 113.590 114.554 0.245 0.000 0.541 454 T HA -0.207 4.144 4.350 0.001 0.000 0.774 454 T C -0.581 174.393 174.700 0.458 0.000 0.992 454 T CA 0.580 62.865 62.100 0.309 0.000 4.077 454 T CB -1.336 67.647 68.868 0.192 0.000 2.303 454 T HN 0.601 nan 8.240 nan 0.000 0.398 455 Y N -0.832 119.714 120.300 0.410 0.000 2.705 455 Y HA 0.845 5.396 4.550 0.001 0.000 0.332 455 Y C -0.648 175.315 175.900 0.105 0.000 1.221 455 Y CA -1.238 57.056 58.100 0.323 0.000 1.059 455 Y CB 0.978 39.569 38.460 0.217 0.000 1.298 455 Y HN 1.007 nan 8.280 nan 0.000 0.459 456 E N 1.589 121.823 120.200 0.057 0.000 2.263 456 E HA 0.618 4.969 4.350 0.001 0.000 0.264 456 E C -1.446 175.209 176.600 0.090 0.000 0.923 456 E CA -1.070 55.197 56.400 -0.221 0.000 0.802 456 E CB 2.666 32.080 29.700 -0.477 0.000 1.228 456 E HN 0.547 nan 8.360 nan 0.000 0.417 457 L N 2.240 123.466 121.223 0.006 0.000 2.357 457 L HA 0.216 4.557 4.340 0.001 0.000 0.273 457 L C 1.354 178.226 176.870 0.003 0.000 1.080 457 L CA -0.432 54.446 54.840 0.063 0.000 0.803 457 L CB 0.536 42.617 42.059 0.037 0.000 1.174 457 L HN 0.568 nan 8.230 nan 0.000 0.443 458 L N 2.156 123.389 121.223 0.017 0.000 2.021 458 L HA -0.291 4.050 4.340 0.001 0.000 0.215 458 L C 2.515 179.376 176.870 -0.015 0.000 1.074 458 L CA 1.846 56.685 54.840 -0.002 0.000 0.760 458 L CB -0.429 41.631 42.059 0.003 0.000 0.889 458 L HN 0.911 nan 8.230 nan 0.000 0.433 459 A N -0.944 121.868 122.820 -0.012 0.000 2.121 459 A HA -0.145 4.176 4.320 0.001 0.000 0.218 459 A C 1.471 179.037 177.584 -0.029 0.000 1.154 459 A CA 1.009 53.035 52.037 -0.018 0.000 0.679 459 A CB -0.105 18.887 19.000 -0.013 0.000 0.795 459 A HN 0.320 nan 8.150 nan 0.000 0.458 460 K N 0.256 120.629 120.400 -0.044 0.000 2.950 460 K HA 0.302 4.623 4.320 0.001 0.000 0.199 460 K C -3.190 173.350 176.600 -0.101 0.000 1.144 460 K CA -1.759 54.491 56.287 -0.062 0.000 0.983 460 K CB 1.140 33.605 32.500 -0.059 0.000 1.187 460 K HN 0.006 nan 8.250 nan 0.000 0.595 461 P HA 0.126 nan 4.420 nan 0.000 0.269 461 P C 0.665 177.874 177.300 -0.152 0.000 1.209 461 P CA 0.826 63.845 63.100 -0.134 0.000 0.776 461 P CB 1.000 32.656 31.700 -0.073 0.000 0.876 462 G N 0.677 109.327 108.800 -0.250 0.000 2.258 462 G HA2 -0.243 3.718 3.960 0.001 0.000 0.233 462 G HA3 -0.243 3.718 3.960 0.001 0.000 0.233 462 G C 0.153 174.946 174.900 -0.178 0.000 1.006 462 G CA -0.036 44.973 45.100 -0.152 0.000 0.620 462 G HN 0.694 nan 8.290 nan 0.000 0.511 463 Q N 0.327 119.966 119.800 -0.268 0.000 2.340 463 Q HA 0.658 4.998 4.340 0.001 0.000 0.259 463 Q C -0.940 174.861 176.000 -0.333 0.000 0.964 463 Q CA -0.790 54.906 55.803 -0.177 0.000 0.900 463 Q CB 0.303 28.972 28.738 -0.115 0.000 1.228 463 Q HN 0.200 nan 8.270 nan 0.000 0.449 464 F N 3.976 123.885 119.950 -0.069 0.000 2.404 464 F HA 0.484 5.012 4.527 0.001 0.000 0.339 464 F C 0.052 175.745 175.800 -0.179 0.000 1.105 464 F CA -0.453 57.479 58.000 -0.114 0.000 1.087 464 F CB 1.035 40.004 39.000 -0.052 0.000 1.143 464 F HN 0.423 nan 8.300 nan 0.000 0.491 465 I N 2.183 122.633 120.570 -0.200 0.000 2.608 465 I HA 0.274 4.445 4.170 0.001 0.000 0.295 465 I C -1.036 174.941 176.117 -0.234 0.000 1.049 465 I CA -0.816 60.289 61.300 -0.325 0.000 1.063 465 I CB 2.111 39.730 38.000 -0.636 0.000 1.248 465 I HN 0.514 nan 8.210 nan 0.000 0.424 466 H N 3.334 122.331 119.070 -0.121 0.000 2.466 466 H HA 0.544 5.101 4.556 0.001 0.000 0.338 466 H C -1.093 174.247 175.328 0.020 0.000 1.091 466 H CA -0.162 55.900 56.048 0.023 0.000 1.207 466 H CB 1.508 31.290 29.762 0.033 0.000 1.466 466 H HN 0.494 nan 8.280 nan 0.000 0.493 467 T N 4.407 118.687 114.554 -0.456 0.000 2.859 467 T HA 0.096 4.447 4.350 0.001 0.000 0.281 467 T C 0.225 174.427 174.700 -0.831 0.000 1.005 467 T CA -0.836 60.890 62.100 -0.623 0.000 1.025 467 T CB 0.485 68.894 68.868 -0.765 0.000 0.977 467 T HN 0.604 nan 8.240 nan 0.000 0.458 468 N N 2.354 120.721 118.700 -0.555 0.000 2.971 468 N HA 0.059 4.800 4.740 0.001 0.000 0.294 468 N C 0.615 175.949 175.510 -0.293 0.000 1.210 468 N CA -0.408 52.442 53.050 -0.334 0.000 1.157 468 N CB -0.268 38.095 38.487 -0.207 0.000 1.450 468 N HN 0.647 nan 8.380 nan 0.000 0.527 469 W N 0.330 121.458 121.300 -0.287 0.000 2.318 469 W HA -0.225 4.435 4.660 0.001 0.000 0.313 469 W C 2.498 178.854 176.519 -0.270 0.000 1.221 469 W CA 1.876 59.067 57.345 -0.258 0.000 1.266 469 W CB -0.729 28.517 29.460 -0.357 0.000 1.150 469 W HN 0.439 nan 8.180 nan 0.000 0.496 470 T N -3.486 110.981 114.554 -0.146 0.000 3.023 470 T HA 0.252 4.603 4.350 0.001 0.000 0.266 470 T C 1.843 176.348 174.700 -0.325 0.000 1.093 470 T CA 1.047 63.063 62.100 -0.140 0.000 1.129 470 T CB -0.403 68.423 68.868 -0.069 0.000 0.899 470 T HN 0.497 nan 8.240 nan 0.000 0.491 471 G N 1.057 109.669 108.800 -0.314 0.000 2.179 471 G HA2 -0.277 3.684 3.960 0.001 0.000 0.260 471 G HA3 -0.277 3.684 3.960 0.001 0.000 0.260 471 G C 0.438 175.056 174.900 -0.470 0.000 0.977 471 G CA 0.514 45.367 45.100 -0.411 0.000 0.641 471 G HN 0.741 nan 8.290 nan 0.000 0.533 472 H N -0.190 118.874 119.070 -0.010 0.000 2.923 472 H HA 0.480 5.037 4.556 0.001 0.000 0.268 472 H C 1.677 177.009 175.328 0.007 0.000 1.148 472 H CA -0.027 56.022 56.048 0.001 0.000 1.146 472 H CB 0.726 30.494 29.762 0.009 0.000 1.607 472 H HN 0.528 nan 8.280 nan 0.000 0.566 473 G N 0.164 109.003 108.800 0.065 0.000 2.588 473 G HA2 0.421 4.382 3.960 0.001 0.000 0.281 473 G HA3 0.421 4.382 3.960 0.001 0.000 0.281 473 G C 0.581 175.525 174.900 0.073 0.000 1.236 473 G CA -0.057 45.089 45.100 0.077 0.000 0.969 473 G HN 0.296 nan 8.290 nan 0.000 0.504 474 G N -1.979 106.871 108.800 0.084 0.000 2.525 474 G HA2 0.417 4.377 3.960 0.001 0.000 0.287 474 G HA3 0.417 4.377 3.960 0.001 0.000 0.287 474 G C 1.046 176.004 174.900 0.096 0.000 1.350 474 G CA 0.652 45.792 45.100 0.067 0.000 1.039 474 G HN 0.883 nan 8.290 nan 0.000 0.513 475 T N -3.261 111.333 114.554 0.068 0.000 3.015 475 T HA 0.124 4.475 4.350 0.001 0.000 0.250 475 T C 0.837 175.569 174.700 0.052 0.000 1.057 475 T CA -0.027 62.125 62.100 0.086 0.000 1.066 475 T CB 0.043 68.939 68.868 0.048 0.000 0.959 475 T HN 0.187 nan 8.240 nan 0.000 0.488 476 V N 4.234 124.152 119.914 0.006 0.000 2.446 476 V HA 0.418 4.538 4.120 0.001 0.000 0.276 476 V C 0.812 176.836 176.094 -0.118 0.000 1.030 476 V CA -0.313 61.967 62.300 -0.035 0.000 1.033 476 V CB 0.049 31.858 31.823 -0.022 0.000 0.993 476 V HN 0.737 nan 8.190 nan 0.000 0.477 477 S N 3.750 119.349 115.700 -0.168 0.000 2.748 477 S HA 0.637 5.108 4.470 0.001 0.000 0.299 477 S C 0.142 174.633 174.600 -0.182 0.000 1.119 477 S CA -0.478 57.529 58.200 -0.321 0.000 0.997 477 S CB 1.676 64.632 63.200 -0.407 0.000 1.223 477 S HN 0.638 nan 8.310 nan 0.000 0.541 478 S N 0.174 115.754 115.700 -0.200 0.000 2.645 478 S HA 0.559 5.030 4.470 0.001 0.000 0.266 478 S C 0.179 174.757 174.600 -0.035 0.000 1.258 478 S CA -0.551 57.593 58.200 -0.092 0.000 0.990 478 S CB 0.044 63.167 63.200 -0.128 0.000 0.967 478 S HN 0.949 nan 8.310 nan 0.000 0.556 479 S N 1.802 117.537 115.700 0.058 0.000 2.632 479 S HA 0.450 4.921 4.470 0.001 0.000 0.267 479 S C -0.512 174.088 174.600 0.000 0.000 1.276 479 S CA -0.903 57.343 58.200 0.077 0.000 0.998 479 S CB 0.997 64.302 63.200 0.175 0.000 0.953 479 S HN 0.622 nan 8.310 nan 0.000 0.547 480 S N 2.164 117.803 115.700 -0.101 0.000 2.410 480 S HA 0.588 5.059 4.470 0.001 0.000 0.304 480 S C -0.776 173.709 174.600 -0.191 0.000 1.095 480 S CA -0.741 57.249 58.200 -0.350 0.000 1.089 480 S CB -0.743 61.968 63.200 -0.816 0.000 0.968 480 S HN 0.772 nan 8.310 nan 0.000 0.480 481 Y N -0.080 120.101 120.300 -0.198 0.000 2.624 481 Y HA 0.628 5.179 4.550 0.002 0.000 0.334 481 Y C -1.259 174.585 175.900 -0.093 0.000 1.155 481 Y CA -1.341 56.682 58.100 -0.129 0.000 1.046 481 Y CB 0.822 39.235 38.460 -0.078 0.000 1.316 481 Y HN 0.341 nan 8.280 nan 0.000 0.457 482 N N 1.070 119.842 118.700 0.120 0.000 2.404 482 N HA 0.879 5.620 4.740 0.001 0.000 0.297 482 N C -1.079 174.531 175.510 0.167 0.000 1.163 482 N CA -0.283 52.805 53.050 0.063 0.000 0.864 482 N CB 2.172 40.679 38.487 0.033 0.000 1.247 482 N HN 1.083 nan 8.380 nan 0.000 0.510 483 A N 0.000 122.884 122.820 0.106 0.000 2.254 483 A HA 0.000 4.321 4.320 0.001 0.000 0.244 483 A CA 0.000 52.098 52.037 0.102 0.000 0.836 483 A CB 0.000 19.098 19.000 0.163 0.000 0.831 483 A HN 0.000 nan 8.150 nan 0.000 0.486