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 3mcn_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMVQYIIGIG TNSGFTIENI HLAITALESQ QNIRIIRKAS LYSSKAXXXX DATA SEQUENCE XXXXXXXIRF LNTAVKISSS LKPDELLVLL KDIELKIGRX XXXXXXXPRV DATA SEQUENCE IDLDILAAED LILETDKLTI PHKELINRSF ALAPLLELSK GWHHPKYVEW DATA SEQUENCE DLNIRLKELG EIVKLKQTLA NTIRMGIVNL SNQSFSDGNF DDNQRKLNLD DATA SEQUENCE ELIQSGAEII DIGAESTKPD AXPISIEEEF NKLNEFLEYF KSQLANLIYK DATA SEQUENCE PLVSIDTRKL EVMQKILAKH HDIIWMINDV ECNNIEQKAQ LIAKYNKKYV DATA SEQUENCE IIHNXXXXXX XXXXXXXXXI DNVCDYIEQK KQILLKHGIA QQNIYFDIGF DATA SEQUENCE GFGKXSDTAR YLLENIIEIK RRLELKALVG HSRKPSVLGL XXDSNLATLD DATA SEQUENCE RATRELSRKL EKLDIDIIRV HKI 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.349 175.328 0.035 0.000 0.993 0 H CA 0.000 56.063 56.048 0.026 0.000 1.023 0 H CB 0.000 29.778 29.762 0.027 0.000 1.292 1 M N 2.559 122.136 119.600 -0.038 0.000 2.180 1 M HA 0.460 4.941 4.480 0.001 0.000 0.350 1 M C -0.454 175.822 176.300 -0.041 0.000 1.125 1 M CA -0.865 54.380 55.300 -0.090 0.000 1.031 1 M CB 1.694 34.269 32.600 -0.042 0.000 1.623 1 M HN 0.171 nan 8.290 nan 0.000 0.451 2 V N 2.772 122.662 119.914 -0.039 0.000 2.715 2 V HA 0.445 4.566 4.120 0.001 0.000 0.310 2 V C -0.286 175.727 176.094 -0.135 0.000 1.054 2 V CA -0.904 61.322 62.300 -0.122 0.000 0.928 2 V CB 2.090 33.804 31.823 -0.182 0.000 1.007 2 V HN 0.816 nan 8.190 nan 0.000 0.437 3 Q N 1.818 121.481 119.800 -0.228 0.000 2.307 3 Q HA 0.551 4.892 4.340 0.001 0.000 0.262 3 Q C -1.968 173.880 176.000 -0.253 0.000 0.961 3 Q CA -0.397 55.325 55.803 -0.136 0.000 0.882 3 Q CB 1.260 29.956 28.738 -0.071 0.000 1.264 3 Q HN 0.716 nan 8.270 nan 0.000 0.446 4 Y N 2.537 122.816 120.300 -0.036 0.000 2.524 4 Y HA 0.539 5.089 4.550 0.001 0.000 0.344 4 Y C -0.246 175.607 175.900 -0.079 0.000 1.012 4 Y CA -0.947 57.122 58.100 -0.053 0.000 1.068 4 Y CB 1.671 40.108 38.460 -0.040 0.000 1.249 4 Y HN 0.465 nan 8.280 nan 0.000 0.468 5 I N 4.436 125.032 120.570 0.043 0.000 2.389 5 I HA 0.318 4.488 4.170 0.001 0.000 0.288 5 I C -1.124 174.974 176.117 -0.032 0.000 0.999 5 I CA -0.724 60.547 61.300 -0.049 0.000 1.129 5 I CB 1.177 39.065 38.000 -0.187 0.000 1.288 5 I HN 0.331 nan 8.210 nan 0.000 0.444 6 I N 5.152 125.706 120.570 -0.028 0.000 2.354 6 I HA 0.381 4.552 4.170 0.001 0.000 0.292 6 I C 0.760 176.847 176.117 -0.050 0.000 0.989 6 I CA -0.511 60.768 61.300 -0.034 0.000 1.188 6 I CB 1.231 39.214 38.000 -0.029 0.000 1.342 6 I HN 0.544 nan 8.210 nan 0.000 0.457 7 G N 6.909 115.672 108.800 -0.062 0.000 2.353 7 G HA2 0.658 4.618 3.960 0.001 0.000 0.284 7 G HA3 0.658 4.618 3.960 0.001 0.000 0.284 7 G C -0.480 174.402 174.900 -0.029 0.000 1.172 7 G CA -0.332 44.733 45.100 -0.058 0.000 0.854 7 G HN 0.515 nan 8.290 nan 0.000 0.485 8 I N 1.958 122.523 120.570 -0.009 0.000 2.439 8 I HA 0.516 4.687 4.170 0.001 0.000 0.285 8 I C 0.465 176.594 176.117 0.020 0.000 1.021 8 I CA -0.631 60.673 61.300 0.005 0.000 1.091 8 I CB 2.274 40.278 38.000 0.006 0.000 1.242 8 I HN 0.591 nan 8.210 nan 0.000 0.439 9 G N 2.688 111.504 108.800 0.026 0.000 2.519 9 G HA2 0.708 4.669 3.960 0.001 0.000 0.307 9 G HA3 0.708 4.669 3.960 0.001 0.000 0.307 9 G C -1.324 173.641 174.900 0.108 0.000 1.266 9 G CA -0.518 44.614 45.100 0.053 0.000 0.970 9 G HN 0.420 nan 8.290 nan 0.000 0.481 10 T N -1.591 113.047 114.554 0.139 0.000 2.982 10 T HA 0.459 4.810 4.350 0.001 0.000 0.321 10 T C -0.172 174.455 174.700 -0.122 0.000 1.229 10 T CA -0.497 61.625 62.100 0.037 0.000 1.044 10 T CB 1.114 69.987 68.868 0.009 0.000 1.184 10 T HN 0.863 nan 8.240 nan 0.000 0.477 11 N N 1.421 119.918 118.700 -0.338 0.000 2.240 11 N HA 0.322 5.063 4.740 0.001 0.000 0.240 11 N C -0.451 174.834 175.510 -0.374 0.000 1.277 11 N CA -0.589 52.113 53.050 -0.581 0.000 0.873 11 N CB 0.866 38.503 38.487 -1.417 0.000 1.222 11 N HN 0.512 nan 8.380 nan 0.000 0.507 12 S N -1.675 113.881 115.700 -0.240 0.000 2.579 12 S HA 0.855 5.326 4.470 0.001 0.000 0.272 12 S C 0.518 175.010 174.600 -0.180 0.000 1.141 12 S CA -0.354 57.724 58.200 -0.205 0.000 0.843 12 S CB 1.558 64.652 63.200 -0.177 0.000 1.122 12 S HN 0.594 nan 8.310 nan 0.000 0.468 13 G N 1.077 109.736 108.800 -0.235 0.000 2.552 13 G HA2 -0.201 3.760 3.960 0.001 0.000 0.265 13 G HA3 -0.201 3.760 3.960 0.001 0.000 0.265 13 G C -0.541 174.151 174.900 -0.347 0.000 1.234 13 G CA -0.060 44.817 45.100 -0.372 0.000 0.944 13 G HN 1.129 nan 8.290 nan 0.000 0.568 14 F N 2.543 122.504 119.950 0.017 0.000 2.464 14 F HA 0.350 4.878 4.527 0.002 0.000 0.353 14 F C 2.195 177.975 175.800 -0.034 0.000 1.191 14 F CA 0.158 58.148 58.000 -0.016 0.000 1.147 14 F CB 0.689 39.709 39.000 0.033 0.000 1.294 14 F HN 0.680 nan 8.300 nan 0.000 0.583 15 T N -0.161 114.427 114.554 0.058 0.000 2.674 15 T HA -0.248 4.103 4.350 0.001 0.000 0.265 15 T C 1.975 176.725 174.700 0.084 0.000 1.039 15 T CA 1.063 63.174 62.100 0.019 0.000 1.150 15 T CB -0.331 68.499 68.868 -0.062 0.000 0.864 15 T HN 0.596 nan 8.240 nan 0.000 0.427 16 I N 1.723 122.367 120.570 0.123 0.000 2.208 16 I HA -0.210 3.960 4.170 0.001 0.000 0.245 16 I C 2.904 179.129 176.117 0.179 0.000 1.097 16 I CA 2.063 63.459 61.300 0.161 0.000 1.363 16 I CB -0.268 37.870 38.000 0.230 0.000 1.051 16 I HN 0.479 nan 8.210 nan 0.000 0.413 17 E N 0.686 120.982 120.200 0.160 0.000 2.077 17 E HA -0.280 4.071 4.350 0.001 0.000 0.193 17 E C 1.830 178.558 176.600 0.213 0.000 0.989 17 E CA 1.565 58.087 56.400 0.204 0.000 0.800 17 E CB -0.080 29.747 29.700 0.212 0.000 0.746 17 E HN 0.494 nan 8.360 nan 0.000 0.452 18 N N 0.844 119.650 118.700 0.177 0.000 2.104 18 N HA -0.171 4.570 4.740 0.001 0.000 0.190 18 N C 1.986 177.559 175.510 0.106 0.000 1.024 18 N CA 1.393 54.523 53.050 0.132 0.000 0.853 18 N CB -0.244 38.295 38.487 0.088 0.000 1.008 18 N HN 0.356 nan 8.380 nan 0.000 0.424 19 I N 0.465 121.085 120.570 0.085 0.000 2.202 19 I HA -0.229 3.942 4.170 0.001 0.000 0.242 19 I C 2.165 178.301 176.117 0.032 0.000 1.091 19 I CA 0.980 62.298 61.300 0.031 0.000 1.368 19 I CB -0.503 37.481 38.000 -0.026 0.000 1.058 19 I HN 0.224 nan 8.210 nan 0.000 0.410 20 H N 1.060 120.168 119.070 0.063 0.000 2.352 20 H HA -0.141 4.416 4.556 0.001 0.000 0.299 20 H C 2.433 177.800 175.328 0.066 0.000 1.097 20 H CA 1.532 57.617 56.048 0.061 0.000 1.311 20 H CB -0.236 29.566 29.762 0.066 0.000 1.377 20 H HN 0.320 nan 8.280 nan 0.000 0.504 21 L N -0.031 121.317 121.223 0.208 0.000 2.083 21 L HA -0.141 4.200 4.340 0.001 0.000 0.209 21 L C 2.942 179.873 176.870 0.102 0.000 1.083 21 L CA 0.885 55.812 54.840 0.145 0.000 0.752 21 L CB -0.506 41.637 42.059 0.141 0.000 0.899 21 L HN 0.201 nan 8.230 nan 0.000 0.433 22 A N 0.386 123.257 122.820 0.085 0.000 1.933 22 A HA -0.169 4.152 4.320 0.001 0.000 0.218 22 A C 2.217 179.829 177.584 0.047 0.000 1.175 22 A CA 1.468 53.538 52.037 0.055 0.000 0.628 22 A CB -0.587 18.438 19.000 0.041 0.000 0.814 22 A HN 0.362 nan 8.150 nan 0.000 0.444 23 I N -0.818 119.785 120.570 0.055 0.000 2.252 23 I HA -0.193 3.978 4.170 0.001 0.000 0.245 23 I C 2.559 178.712 176.117 0.060 0.000 1.102 23 I CA 1.683 63.013 61.300 0.049 0.000 1.385 23 I CB -0.853 37.174 38.000 0.045 0.000 1.064 23 I HN 0.235 nan 8.210 nan 0.000 0.414 24 T N 1.024 115.628 114.554 0.083 0.000 2.684 24 T HA -0.173 4.178 4.350 0.001 0.000 0.267 24 T C 2.082 176.814 174.700 0.052 0.000 1.036 24 T CA 1.594 63.739 62.100 0.074 0.000 1.148 24 T CB -0.289 68.631 68.868 0.086 0.000 0.863 24 T HN 0.483 nan 8.240 nan 0.000 0.436 25 A N 1.141 123.991 122.820 0.050 0.000 1.883 25 A HA -0.028 4.293 4.320 0.001 0.000 0.217 25 A C 2.318 179.915 177.584 0.023 0.000 1.186 25 A CA 1.303 53.361 52.037 0.036 0.000 0.624 25 A CB -0.883 18.139 19.000 0.035 0.000 0.822 25 A HN 0.478 nan 8.150 nan 0.000 0.444 26 L N -1.002 120.232 121.223 0.019 0.000 1.994 26 L HA -0.212 4.129 4.340 0.001 0.000 0.208 26 L C 2.698 179.574 176.870 0.010 0.000 1.071 26 L CA 1.941 56.784 54.840 0.005 0.000 0.745 26 L CB -0.535 41.524 42.059 -0.001 0.000 0.892 26 L HN 0.567 nan 8.230 nan 0.000 0.431 27 E N 0.041 120.255 120.200 0.022 0.000 2.268 27 E HA -0.200 4.151 4.350 0.001 0.000 0.195 27 E C 2.146 178.760 176.600 0.023 0.000 0.995 27 E CA 1.143 57.558 56.400 0.024 0.000 0.836 27 E CB 0.125 29.846 29.700 0.034 0.000 0.763 27 E HN 0.517 nan 8.360 nan 0.000 0.491 28 S N 0.183 115.897 115.700 0.024 0.000 2.474 28 S HA -0.075 4.396 4.470 0.001 0.000 0.235 28 S C 0.821 175.431 174.600 0.016 0.000 0.997 28 S CA 0.098 58.311 58.200 0.022 0.000 0.949 28 S CB 0.010 63.225 63.200 0.024 0.000 0.766 28 S HN 0.090 nan 8.310 nan 0.000 0.517 29 Q N 1.643 121.450 119.800 0.012 0.000 2.313 29 Q HA 0.232 4.573 4.340 0.001 0.000 0.266 29 Q C 0.801 176.807 176.000 0.011 0.000 0.989 29 Q CA -0.054 55.754 55.803 0.007 0.000 0.890 29 Q CB 0.514 29.251 28.738 -0.002 0.000 1.200 29 Q HN 0.431 nan 8.270 nan 0.000 0.396 30 Q N 1.659 121.467 119.800 0.014 0.000 2.364 30 Q HA -0.111 4.229 4.340 0.001 0.000 0.207 30 Q C 0.665 176.676 176.000 0.019 0.000 0.970 30 Q CA 0.904 56.719 55.803 0.019 0.000 0.888 30 Q CB 0.167 28.918 28.738 0.022 0.000 0.951 30 Q HN 0.643 nan 8.270 nan 0.000 0.469 31 N N -0.452 118.254 118.700 0.011 0.000 2.235 31 N HA 0.104 4.845 4.740 0.001 0.000 0.209 31 N C 0.012 175.514 175.510 -0.013 0.000 1.122 31 N CA 0.013 53.063 53.050 0.001 0.000 0.845 31 N CB 0.431 38.918 38.487 0.001 0.000 1.004 31 N HN 0.084 nan 8.380 nan 0.000 0.499 32 I N 0.316 120.883 120.570 -0.004 0.000 2.509 32 I HA 0.370 4.541 4.170 0.001 0.000 0.293 32 I C -0.212 175.910 176.117 0.009 0.000 1.020 32 I CA -0.823 60.476 61.300 -0.002 0.000 1.088 32 I CB 2.237 40.231 38.000 -0.010 0.000 1.267 32 I HN -0.153 nan 8.210 nan 0.000 0.430 33 R N 5.556 126.065 120.500 0.015 0.000 2.534 33 R HA 0.539 4.880 4.340 0.001 0.000 0.301 33 R C -0.930 175.384 176.300 0.023 0.000 0.961 33 R CA -0.902 55.209 56.100 0.020 0.000 0.871 33 R CB 1.795 32.107 30.300 0.020 0.000 1.170 33 R HN 0.451 nan 8.270 nan 0.000 0.446 34 I N 6.325 126.909 120.570 0.023 0.000 2.379 34 I HA 0.034 4.204 4.170 0.001 0.000 0.290 34 I C 1.361 177.492 176.117 0.023 0.000 1.063 34 I CA 0.374 61.688 61.300 0.024 0.000 1.351 34 I CB 0.770 38.786 38.000 0.026 0.000 1.410 34 I HN 0.745 nan 8.210 nan 0.000 0.505 35 I N 5.359 125.943 120.570 0.022 0.000 2.429 35 I HA 0.058 4.228 4.170 0.001 0.000 0.247 35 I C 1.143 177.271 176.117 0.018 0.000 1.099 35 I CA 0.626 61.938 61.300 0.020 0.000 1.422 35 I CB 0.128 38.139 38.000 0.019 0.000 1.112 35 I HN 0.539 nan 8.210 nan 0.000 0.430 36 R N 0.827 121.336 120.500 0.016 0.000 2.634 36 R HA 0.331 4.672 4.340 0.001 0.000 0.263 36 R C -1.574 174.733 176.300 0.012 0.000 1.060 36 R CA -0.662 55.447 56.100 0.015 0.000 0.898 36 R CB 1.961 32.269 30.300 0.014 0.000 1.253 36 R HN -0.066 nan 8.270 nan 0.000 0.461 37 K N 1.586 121.994 120.400 0.013 0.000 2.159 37 K HA 0.538 4.858 4.320 0.001 0.000 0.266 37 K C -0.263 176.348 176.600 0.017 0.000 0.975 37 K CA -0.505 55.788 56.287 0.009 0.000 0.865 37 K CB 1.958 34.460 32.500 0.003 0.000 1.087 37 K HN 0.602 nan 8.250 nan 0.000 0.446 38 A N 1.938 124.776 122.820 0.029 0.000 2.240 38 A HA 0.396 4.717 4.320 0.001 0.000 0.292 38 A C 0.149 177.778 177.584 0.076 0.000 1.121 38 A CA -0.423 51.655 52.037 0.069 0.000 0.851 38 A CB 0.475 19.535 19.000 0.101 0.000 1.167 38 A HN 0.689 nan 8.150 nan 0.000 0.503 39 S N -1.296 114.470 115.700 0.110 0.000 2.612 39 S HA 0.347 4.818 4.470 0.001 0.000 0.253 39 S C -0.004 174.600 174.600 0.007 0.000 1.346 39 S CA -0.102 58.084 58.200 -0.022 0.000 0.976 39 S CB 0.012 63.089 63.200 -0.204 0.000 0.949 39 S HN 0.442 nan 8.310 nan 0.000 0.584 40 L N 1.366 122.484 121.223 -0.174 0.000 2.309 40 L HA 0.499 4.840 4.340 0.001 0.000 0.282 40 L C -1.388 175.338 176.870 -0.241 0.000 1.036 40 L CA -0.410 54.381 54.840 -0.081 0.000 0.806 40 L CB 0.704 42.706 42.059 -0.097 0.000 1.220 40 L HN 0.625 nan 8.230 nan 0.000 0.429 41 Y N 0.969 121.287 120.300 0.029 0.000 2.442 41 Y HA 0.348 4.899 4.550 0.001 0.000 0.344 41 Y C 0.066 176.005 175.900 0.066 0.000 0.976 41 Y CA -0.561 57.566 58.100 0.045 0.000 1.040 41 Y CB 2.428 40.922 38.460 0.056 0.000 1.228 41 Y HN 0.423 nan 8.280 nan 0.000 0.451 42 S N 2.371 118.191 115.700 0.199 0.000 2.454 42 S HA 0.812 5.283 4.470 0.001 0.000 0.306 42 S C -0.833 173.860 174.600 0.154 0.000 1.100 42 S CA -0.367 57.925 58.200 0.153 0.000 1.087 42 S CB 0.505 63.772 63.200 0.113 0.000 1.019 42 S HN 0.736 nan 8.310 nan 0.000 0.480 43 S N 3.872 119.656 115.700 0.139 0.000 2.550 43 S HA 0.509 4.979 4.470 0.001 0.000 0.270 43 S C -1.144 173.536 174.600 0.134 0.000 1.145 43 S CA -1.037 57.244 58.200 0.135 0.000 0.852 43 S CB 1.084 64.386 63.200 0.171 0.000 1.119 43 S HN 0.748 nan 8.310 nan 0.000 0.465 44 K N 1.500 121.970 120.400 0.117 0.000 2.448 44 K HA 0.442 4.763 4.320 0.001 0.000 0.278 44 K C 1.138 177.843 176.600 0.175 0.000 1.009 44 K CA 0.328 56.683 56.287 0.114 0.000 0.995 44 K CB 0.320 32.868 32.500 0.081 0.000 0.917 44 K HN 0.909 nan 8.250 nan 0.000 0.481 58 R N 2.314 122.715 120.500 -0.165 0.000 2.641 58 R HA 0.452 4.793 4.340 0.001 0.000 0.269 58 R C -1.097 175.112 176.300 -0.151 0.000 1.074 58 R CA -0.281 55.768 56.100 -0.086 0.000 1.133 58 R CB 0.423 30.710 30.300 -0.021 0.000 1.029 58 R HN 0.397 nan 8.270 nan 0.000 0.488 59 F N 1.432 121.309 119.950 -0.121 0.000 2.418 59 F HA 0.125 4.653 4.527 0.001 0.000 0.341 59 F C 0.420 176.165 175.800 -0.092 0.000 1.120 59 F CA -0.218 57.690 58.000 -0.153 0.000 1.232 59 F CB 0.541 39.368 39.000 -0.289 0.000 1.175 59 F HN 0.195 nan 8.300 nan 0.000 0.569 60 L N 4.037 125.320 121.223 0.101 0.000 2.287 60 L HA 0.430 4.771 4.340 0.001 0.000 0.287 60 L C -1.059 175.879 176.870 0.114 0.000 1.022 60 L CA -0.319 54.588 54.840 0.112 0.000 0.814 60 L CB 0.621 42.734 42.059 0.091 0.000 1.217 60 L HN 0.573 nan 8.230 nan 0.000 0.420 61 N N 2.187 120.964 118.700 0.129 0.000 2.240 61 N HA 0.800 5.541 4.740 0.001 0.000 0.302 61 N C -0.970 174.639 175.510 0.164 0.000 1.106 61 N CA -0.514 52.602 53.050 0.110 0.000 0.778 61 N CB 2.172 40.710 38.487 0.084 0.000 1.431 61 N HN 0.644 nan 8.380 nan 0.000 0.479 62 T N -0.399 114.218 114.554 0.104 0.000 2.645 62 T HA 0.868 5.219 4.350 0.001 0.000 0.300 62 T C -1.918 172.801 174.700 0.031 0.000 1.210 62 T CA -0.429 61.738 62.100 0.111 0.000 1.034 62 T CB 0.983 69.895 68.868 0.074 0.000 1.537 62 T HN 0.536 nan 8.240 nan 0.000 0.492 63 A N 0.308 123.137 122.820 0.015 0.000 2.587 63 A HA 0.823 5.144 4.320 0.001 0.000 0.293 63 A C -1.452 176.123 177.584 -0.015 0.000 1.087 63 A CA -0.514 51.508 52.037 -0.024 0.000 0.692 63 A CB 1.703 20.660 19.000 -0.071 0.000 1.291 63 A HN 1.114 nan 8.150 nan 0.000 0.407 64 V N 1.065 120.966 119.914 -0.022 0.000 2.656 64 V HA 0.681 4.802 4.120 0.001 0.000 0.307 64 V C -0.546 175.541 176.094 -0.012 0.000 1.051 64 V CA -0.696 61.598 62.300 -0.011 0.000 0.893 64 V CB 1.739 33.560 31.823 -0.003 0.000 0.999 64 V HN 0.972 nan 8.190 nan 0.000 0.426 65 K N 6.975 127.372 120.400 -0.006 0.000 2.213 65 K HA 0.699 5.020 4.320 0.001 0.000 0.270 65 K C -0.700 175.912 176.600 0.021 0.000 1.002 65 K CA -0.582 55.706 56.287 0.001 0.000 0.868 65 K CB 1.236 33.730 32.500 -0.009 0.000 1.093 65 K HN 0.800 nan 8.250 nan 0.000 0.454 66 I N -1.153 119.445 120.570 0.045 0.000 3.145 66 I HA 0.522 4.692 4.170 0.001 0.000 0.313 66 I C -0.983 175.182 176.117 0.081 0.000 1.122 66 I CA -0.890 60.443 61.300 0.055 0.000 0.987 66 I CB 2.292 40.323 38.000 0.052 0.000 1.236 66 I HN 0.409 nan 8.210 nan 0.000 0.453 67 S N 1.608 117.347 115.700 0.065 0.000 2.502 67 S HA 0.729 5.200 4.470 0.001 0.000 0.304 67 S C -0.888 173.749 174.600 0.060 0.000 1.097 67 S CA -0.300 57.938 58.200 0.063 0.000 1.045 67 S CB 1.238 64.453 63.200 0.026 0.000 1.019 67 S HN 0.839 nan 8.310 nan 0.000 0.481 68 S N 1.806 117.561 115.700 0.092 0.000 2.607 68 S HA 0.536 5.007 4.470 0.001 0.000 0.273 68 S C 0.299 174.895 174.600 -0.007 0.000 1.148 68 S CA -0.156 58.068 58.200 0.040 0.000 0.833 68 S CB 1.458 64.687 63.200 0.048 0.000 1.130 68 S HN 0.866 nan 8.310 nan 0.000 0.470 69 S N 2.088 117.720 115.700 -0.113 0.000 2.597 69 S HA 0.378 4.849 4.470 0.001 0.000 0.224 69 S C 0.222 174.809 174.600 -0.023 0.000 0.955 69 S CA -0.367 57.715 58.200 -0.197 0.000 0.933 69 S CB -0.677 62.231 63.200 -0.486 0.000 0.788 69 S HN 0.536 nan 8.310 nan 0.000 0.488 70 L N 2.196 123.432 121.223 0.021 0.000 2.371 70 L HA 0.379 4.720 4.340 0.001 0.000 0.272 70 L C 0.549 177.472 176.870 0.087 0.000 1.124 70 L CA -0.550 54.300 54.840 0.016 0.000 0.816 70 L CB 0.587 42.606 42.059 -0.065 0.000 1.129 70 L HN 0.022 nan 8.230 nan 0.000 0.448 71 K N 3.230 123.672 120.400 0.069 0.000 2.202 71 K HA 0.196 4.517 4.320 0.001 0.000 0.264 71 K C -1.581 175.079 176.600 0.100 0.000 1.010 71 K CA -1.863 54.490 56.287 0.111 0.000 0.940 71 K CB 0.730 33.274 32.500 0.073 0.000 0.983 71 K HN 0.182 nan 8.250 nan 0.000 0.475 72 P HA -0.235 nan 4.420 nan 0.000 0.216 72 P C 0.693 178.013 177.300 0.033 0.000 1.154 72 P CA 1.613 64.800 63.100 0.146 0.000 0.865 72 P CB 0.165 31.971 31.700 0.177 0.000 0.789 73 D N -0.440 119.981 120.400 0.035 0.000 2.183 73 D HA -0.148 4.493 4.640 0.001 0.000 0.203 73 D C 1.544 177.841 176.300 -0.004 0.000 0.969 73 D CA 0.986 54.995 54.000 0.015 0.000 0.842 73 D CB -0.755 40.058 40.800 0.022 0.000 0.957 73 D HN 0.272 nan 8.370 nan 0.000 0.484 74 E N 0.295 120.491 120.200 -0.007 0.000 2.077 74 E HA -0.123 4.227 4.350 0.001 0.000 0.193 74 E C 2.220 178.787 176.600 -0.055 0.000 0.989 74 E CA 0.470 56.859 56.400 -0.019 0.000 0.800 74 E CB -0.128 29.567 29.700 -0.008 0.000 0.746 74 E HN 0.151 nan 8.360 nan 0.000 0.452 75 L N 1.213 122.373 121.223 -0.106 0.000 2.083 75 L HA -0.132 4.209 4.340 0.001 0.000 0.209 75 L C 2.188 178.983 176.870 -0.125 0.000 1.083 75 L CA 1.287 56.017 54.840 -0.184 0.000 0.752 75 L CB -0.458 41.348 42.059 -0.422 0.000 0.899 75 L HN 0.121 nan 8.230 nan 0.000 0.433 76 L N -1.176 119.998 121.223 -0.082 0.000 2.042 76 L HA -0.160 4.180 4.340 0.001 0.000 0.210 76 L C 2.356 179.211 176.870 -0.026 0.000 1.076 76 L CA 1.822 56.638 54.840 -0.039 0.000 0.749 76 L CB -0.615 41.439 42.059 -0.009 0.000 0.893 76 L HN 0.122 nan 8.230 nan 0.000 0.432 77 V N -0.521 119.379 119.914 -0.023 0.000 2.343 77 V HA -0.284 3.837 4.120 0.001 0.000 0.247 77 V C 2.491 178.576 176.094 -0.015 0.000 1.051 77 V CA 1.747 64.040 62.300 -0.012 0.000 1.036 77 V CB -0.694 31.124 31.823 -0.008 0.000 0.654 77 V HN 0.522 nan 8.190 nan 0.000 0.451 78 L N -0.279 120.927 121.223 -0.028 0.000 2.012 78 L HA -0.170 4.171 4.340 0.001 0.000 0.210 78 L C 2.230 179.087 176.870 -0.023 0.000 1.073 78 L CA 1.917 56.741 54.840 -0.028 0.000 0.748 78 L CB -0.538 41.494 42.059 -0.045 0.000 0.891 78 L HN 0.211 nan 8.230 nan 0.000 0.431 79 L N -0.763 120.441 121.223 -0.031 0.000 2.012 79 L HA -0.277 4.064 4.340 0.001 0.000 0.210 79 L C 2.607 179.476 176.870 -0.002 0.000 1.073 79 L CA 1.777 56.605 54.840 -0.019 0.000 0.748 79 L CB -0.769 41.275 42.059 -0.024 0.000 0.891 79 L HN 0.280 nan 8.230 nan 0.000 0.431 80 K N -0.257 120.144 120.400 0.002 0.000 2.057 80 K HA -0.167 4.154 4.320 0.001 0.000 0.207 80 K C 1.759 178.365 176.600 0.011 0.000 1.049 80 K CA 1.360 57.653 56.287 0.010 0.000 0.931 80 K CB -0.184 32.323 32.500 0.011 0.000 0.714 80 K HN 0.314 nan 8.250 nan 0.000 0.440 81 D N 0.926 121.330 120.400 0.007 0.000 2.144 81 D HA -0.098 4.543 4.640 0.001 0.000 0.200 81 D C 1.894 178.202 176.300 0.013 0.000 0.978 81 D CA 1.010 55.016 54.000 0.010 0.000 0.833 81 D CB 0.029 40.832 40.800 0.006 0.000 0.961 81 D HN 0.203 nan 8.370 nan 0.000 0.470 82 I N 1.093 121.670 120.570 0.011 0.000 2.353 82 I HA -0.174 3.997 4.170 0.001 0.000 0.248 82 I C 2.159 178.291 176.117 0.024 0.000 1.119 82 I CA 0.807 62.118 61.300 0.018 0.000 1.417 82 I CB -0.173 37.835 38.000 0.014 0.000 1.078 82 I HN -0.085 nan 8.210 nan 0.000 0.421 83 E N 0.837 121.049 120.200 0.021 0.000 2.204 83 E HA -0.192 4.159 4.350 0.001 0.000 0.195 83 E C 2.218 178.833 176.600 0.026 0.000 0.990 83 E CA 1.048 57.463 56.400 0.025 0.000 0.821 83 E CB -0.044 29.671 29.700 0.024 0.000 0.750 83 E HN 0.508 nan 8.360 nan 0.000 0.477 84 L N 0.404 121.641 121.223 0.024 0.000 2.270 84 L HA -0.088 4.253 4.340 0.001 0.000 0.210 84 L C 2.136 179.023 176.870 0.027 0.000 1.104 84 L CA 0.899 55.753 54.840 0.023 0.000 0.804 84 L CB -0.009 42.062 42.059 0.020 0.000 0.937 84 L HN -0.016 nan 8.230 nan 0.000 0.450 85 K N -0.405 120.013 120.400 0.030 0.000 2.202 85 K HA 0.130 4.451 4.320 0.001 0.000 0.201 85 K C 0.560 177.188 176.600 0.046 0.000 1.051 85 K CA 0.104 56.412 56.287 0.035 0.000 0.977 85 K CB 0.431 32.951 32.500 0.034 0.000 0.792 85 K HN 0.025 nan 8.250 nan 0.000 0.469 86 I N 1.746 122.345 120.570 0.048 0.000 2.618 86 I HA -0.022 4.149 4.170 0.001 0.000 0.284 86 I C 1.338 177.493 176.117 0.063 0.000 1.146 86 I CA 1.014 62.351 61.300 0.062 0.000 1.425 86 I CB -0.210 37.826 38.000 0.061 0.000 1.383 86 I HN 0.613 nan 8.210 nan 0.000 0.562 87 G N 6.343 115.194 108.800 0.084 0.000 2.153 87 G HA2 -0.285 3.676 3.960 0.001 0.000 0.252 87 G HA3 -0.285 3.676 3.960 0.001 0.000 0.252 87 G C 0.437 175.376 174.900 0.064 0.000 0.994 87 G CA 0.231 45.382 45.100 0.084 0.000 0.698 87 G HN 0.650 nan 8.290 nan 0.000 0.521 98 R N 2.254 122.758 120.500 0.007 0.000 2.458 98 R HA 0.244 4.585 4.340 0.001 0.000 0.303 98 R C 0.881 177.185 176.300 0.006 0.000 1.013 98 R CA 0.655 56.763 56.100 0.014 0.000 1.026 98 R CB 0.811 31.124 30.300 0.022 0.000 0.948 98 R HN 0.071 nan 8.270 nan 0.000 0.417 99 V N 4.101 124.020 119.914 0.007 0.000 3.523 99 V HA 0.215 4.336 4.120 0.001 0.000 0.255 99 V C 0.792 176.891 176.094 0.008 0.000 1.226 99 V CA 0.317 62.613 62.300 -0.007 0.000 1.092 99 V CB -0.250 31.566 31.823 -0.012 0.000 0.817 99 V HN 0.641 nan 8.190 nan 0.000 0.458 100 I N -1.021 119.566 120.570 0.028 0.000 2.646 100 I HA 0.817 4.988 4.170 0.001 0.000 0.299 100 I C -1.384 174.760 176.117 0.044 0.000 1.036 100 I CA -0.626 60.697 61.300 0.040 0.000 1.074 100 I CB 1.947 39.970 38.000 0.039 0.000 1.258 100 I HN -0.038 nan 8.210 nan 0.000 0.430 101 D N 5.499 125.929 120.400 0.050 0.000 2.408 101 D HA 0.604 5.245 4.640 0.001 0.000 0.243 101 D C -1.183 175.128 176.300 0.019 0.000 1.075 101 D CA -0.212 53.811 54.000 0.039 0.000 0.832 101 D CB 1.570 42.396 40.800 0.044 0.000 1.162 101 D HN 0.569 nan 8.370 nan 0.000 0.515 102 L N 3.253 124.484 121.223 0.014 0.000 2.329 102 L HA 0.586 4.926 4.340 0.001 0.000 0.279 102 L C -0.505 176.363 176.870 -0.003 0.000 1.014 102 L CA -0.824 54.016 54.840 -0.000 0.000 0.814 102 L CB 1.745 43.803 42.059 -0.001 0.000 1.257 102 L HN 0.265 nan 8.230 nan 0.000 0.424 103 D N 3.069 123.455 120.400 -0.023 0.000 2.879 103 D HA 0.409 5.049 4.640 0.001 0.000 0.236 103 D C -0.408 175.886 176.300 -0.010 0.000 1.171 103 D CA -0.321 53.669 54.000 -0.018 0.000 0.868 103 D CB 2.909 43.625 40.800 -0.139 0.000 1.598 103 D HN 0.282 nan 8.370 nan 0.000 0.497 104 I N 2.977 123.573 120.570 0.043 0.000 2.406 104 I HA 0.034 4.205 4.170 0.001 0.000 0.293 104 I C 1.670 177.829 176.117 0.070 0.000 1.101 104 I CA -0.081 61.255 61.300 0.059 0.000 1.334 104 I CB 0.530 38.587 38.000 0.094 0.000 1.421 104 I HN 0.268 nan 8.210 nan 0.000 0.513 105 L N 5.976 127.190 121.223 -0.016 0.000 2.095 105 L HA 0.199 4.540 4.340 0.001 0.000 0.204 105 L C 1.060 177.863 176.870 -0.113 0.000 1.080 105 L CA 0.650 55.441 54.840 -0.082 0.000 0.759 105 L CB -0.183 41.759 42.059 -0.195 0.000 0.914 105 L HN 0.764 nan 8.230 nan 0.000 0.439 106 A N -1.020 121.717 122.820 -0.139 0.000 2.599 106 A HA 0.784 5.105 4.320 0.001 0.000 0.290 106 A C -1.582 175.967 177.584 -0.059 0.000 1.101 106 A CA 0.076 52.026 52.037 -0.145 0.000 0.674 106 A CB 1.232 19.932 19.000 -0.499 0.000 1.277 106 A HN -0.018 nan 8.150 nan 0.000 0.419 107 A N 0.977 123.767 122.820 -0.049 0.000 2.984 107 A HA 0.632 4.953 4.320 0.001 0.000 0.320 107 A C 0.207 177.749 177.584 -0.070 0.000 1.142 107 A CA 0.595 52.516 52.037 -0.193 0.000 0.772 107 A CB -0.696 18.065 19.000 -0.399 0.000 1.195 107 A HN 1.191 nan 8.150 nan 0.000 0.459 108 E N 0.572 120.786 120.200 0.023 0.000 3.287 108 E HA -0.332 4.019 4.350 0.001 0.000 0.405 108 E C 0.082 176.849 176.600 0.279 0.000 1.541 108 E CA 1.836 58.335 56.400 0.165 0.000 1.405 108 E CB -0.708 29.015 29.700 0.039 0.000 1.576 108 E HN 0.745 nan 8.360 nan 0.000 0.474 109 D N 1.198 121.663 120.400 0.109 0.000 2.363 109 D HA 0.159 4.800 4.640 0.001 0.000 0.214 109 D C 0.406 176.723 176.300 0.028 0.000 1.093 109 D CA -0.271 53.760 54.000 0.052 0.000 0.837 109 D CB -0.187 40.611 40.800 -0.003 0.000 0.948 109 D HN 0.155 nan 8.370 nan 0.000 0.507 110 L N 1.125 122.367 121.223 0.031 0.000 2.490 110 L HA 0.232 4.573 4.340 0.001 0.000 0.274 110 L C -0.444 176.442 176.870 0.026 0.000 1.201 110 L CA 0.129 54.977 54.840 0.013 0.000 0.869 110 L CB 0.261 42.315 42.059 -0.010 0.000 1.123 110 L HN -0.002 nan 8.230 nan 0.000 0.484 111 I N 6.531 127.112 120.570 0.018 0.000 2.389 111 I HA 0.377 4.548 4.170 0.001 0.000 0.288 111 I C -1.100 175.033 176.117 0.026 0.000 0.999 111 I CA -0.703 60.612 61.300 0.025 0.000 1.129 111 I CB 1.677 39.685 38.000 0.013 0.000 1.288 111 I HN 0.497 nan 8.210 nan 0.000 0.444 112 L N 7.100 128.345 121.223 0.036 0.000 2.528 112 L HA 0.448 4.789 4.340 0.001 0.000 0.267 112 L C -1.245 175.646 176.870 0.034 0.000 0.961 112 L CA 0.033 54.895 54.840 0.035 0.000 0.866 112 L CB 1.663 43.750 42.059 0.046 0.000 1.248 112 L HN 0.490 nan 8.230 nan 0.000 0.404 113 E N 4.057 124.273 120.200 0.026 0.000 2.235 113 E HA 0.497 4.848 4.350 0.001 0.000 0.252 113 E C -0.761 175.849 176.600 0.017 0.000 0.886 113 E CA -0.348 56.065 56.400 0.021 0.000 0.767 113 E CB 1.923 31.634 29.700 0.018 0.000 1.205 113 E HN 0.701 nan 8.360 nan 0.000 0.421 114 T N -1.350 113.214 114.554 0.016 0.000 2.773 114 T HA 0.187 4.538 4.350 0.001 0.000 0.278 114 T C 0.714 175.421 174.700 0.011 0.000 1.011 114 T CA -0.622 61.487 62.100 0.015 0.000 1.014 114 T CB 1.266 70.145 68.868 0.019 0.000 1.293 114 T HN 0.244 nan 8.240 nan 0.000 0.554 115 D N -0.334 120.073 120.400 0.011 0.000 2.317 115 D HA 0.011 4.652 4.640 0.001 0.000 0.211 115 D C 1.325 177.631 176.300 0.010 0.000 0.966 115 D CA 0.737 54.743 54.000 0.010 0.000 0.876 115 D CB -0.015 40.791 40.800 0.010 0.000 0.927 115 D HN 0.625 nan 8.370 nan 0.000 0.519 116 K N -0.796 119.611 120.400 0.012 0.000 2.348 116 K HA 0.246 4.567 4.320 0.001 0.000 0.194 116 K C 0.031 176.639 176.600 0.013 0.000 1.052 116 K CA 0.106 56.401 56.287 0.013 0.000 1.004 116 K CB 0.615 33.125 32.500 0.016 0.000 0.873 116 K HN 0.151 nan 8.250 nan 0.000 0.523 117 L N -2.859 118.371 121.223 0.012 0.000 2.775 117 L HA 0.480 4.820 4.340 0.001 0.000 0.263 117 L C -1.120 175.753 176.870 0.006 0.000 1.017 117 L CA -0.881 53.965 54.840 0.010 0.000 0.891 117 L CB 1.457 43.534 42.059 0.030 0.000 1.482 117 L HN -0.060 nan 8.230 nan 0.000 0.410 118 T N -0.965 113.583 114.554 -0.009 0.000 2.886 118 T HA 0.886 5.237 4.350 0.001 0.000 0.292 118 T C -0.721 173.998 174.700 0.032 0.000 1.012 118 T CA -0.396 61.708 62.100 0.006 0.000 0.982 118 T CB 1.326 70.188 68.868 -0.011 0.000 1.018 118 T HN 0.741 nan 8.240 nan 0.000 0.451 119 I N 3.328 123.934 120.570 0.060 0.000 2.533 119 I HA 0.424 4.594 4.170 0.001 0.000 0.290 119 I C -2.529 173.633 176.117 0.076 0.000 1.056 119 I CA -2.804 58.544 61.300 0.080 0.000 1.057 119 I CB 2.942 40.996 38.000 0.090 0.000 1.240 119 I HN 0.439 nan 8.210 nan 0.000 0.423 120 P HA -0.033 nan 4.420 nan 0.000 0.270 120 P C -0.507 176.888 177.300 0.158 0.000 1.223 120 P CA -0.045 63.107 63.100 0.087 0.000 0.785 120 P CB 0.305 32.002 31.700 -0.006 0.000 0.923 121 H N 2.697 121.801 119.070 0.057 0.000 3.034 121 H HA -0.061 4.496 4.556 0.001 0.000 0.324 121 H C 1.207 176.602 175.328 0.112 0.000 1.015 121 H CA 0.722 56.807 56.048 0.061 0.000 1.429 121 H CB 0.811 30.583 29.762 0.017 0.000 1.429 121 H HN 0.415 nan 8.280 nan 0.000 0.585 122 K N 3.556 123.880 120.400 -0.126 0.000 2.211 122 K HA -0.116 4.205 4.320 0.001 0.000 0.204 122 K C 1.111 177.800 176.600 0.148 0.000 1.047 122 K CA 1.395 57.708 56.287 0.042 0.000 0.935 122 K CB 0.310 32.783 32.500 -0.045 0.000 0.728 122 K HN 0.444 nan 8.250 nan 0.000 0.452 123 E N 0.883 121.261 120.200 0.297 0.000 2.385 123 E HA -0.020 4.331 4.350 0.001 0.000 0.194 123 E C 1.794 178.454 176.600 0.100 0.000 1.013 123 E CA 0.132 56.663 56.400 0.219 0.000 0.866 123 E CB -0.085 29.759 29.700 0.241 0.000 0.832 123 E HN 0.256 nan 8.360 nan 0.000 0.500 124 L N 1.867 123.187 121.223 0.163 0.000 2.034 124 L HA -0.238 4.103 4.340 0.001 0.000 0.217 124 L C 1.903 178.730 176.870 -0.072 0.000 1.077 124 L CA 1.854 56.691 54.840 -0.005 0.000 0.769 124 L CB -0.593 41.499 42.059 0.056 0.000 0.890 124 L HN 0.166 nan 8.230 nan 0.000 0.435 125 I N -2.808 117.757 120.570 -0.009 0.000 3.444 125 I HA 0.070 4.241 4.170 0.001 0.000 0.287 125 I C 1.135 177.151 176.117 -0.168 0.000 1.302 125 I CA 0.813 62.028 61.300 -0.143 0.000 1.368 125 I CB -0.885 36.983 38.000 -0.220 0.000 1.048 125 I HN 0.215 nan 8.210 nan 0.000 0.487 126 N N 1.438 120.057 118.700 -0.135 0.000 2.171 126 N HA 0.209 4.950 4.740 0.001 0.000 0.212 126 N C -0.168 175.197 175.510 -0.242 0.000 1.184 126 N CA 0.040 53.006 53.050 -0.139 0.000 0.888 126 N CB 0.533 38.978 38.487 -0.071 0.000 1.038 126 N HN 0.408 nan 8.380 nan 0.000 0.517 127 R N 0.513 120.786 120.500 -0.379 0.000 2.388 127 R HA 0.230 4.571 4.340 0.001 0.000 0.314 127 R C 0.939 176.833 176.300 -0.677 0.000 0.959 127 R CA -0.163 55.491 56.100 -0.744 0.000 0.851 127 R CB 1.246 30.840 30.300 -1.178 0.000 1.168 127 R HN 0.027 nan 8.270 nan 0.000 0.472 128 S N 2.546 117.940 115.700 -0.510 0.000 2.428 128 S HA -0.152 4.319 4.470 0.001 0.000 0.230 128 S C 1.545 175.963 174.600 -0.302 0.000 1.014 128 S CA 0.677 58.692 58.200 -0.308 0.000 0.957 128 S CB -0.289 62.820 63.200 -0.151 0.000 0.784 128 S HN 0.670 nan 8.310 nan 0.000 0.499 129 F N 1.222 121.061 119.950 -0.185 0.000 2.710 129 F HA 0.667 5.195 4.527 0.001 0.000 0.298 129 F C 1.948 177.597 175.800 -0.251 0.000 1.137 129 F CA -0.490 57.382 58.000 -0.213 0.000 1.444 129 F CB -0.750 38.162 39.000 -0.146 0.000 1.111 129 F HN 0.307 nan 8.300 nan 0.000 0.580 130 A N 0.679 123.279 122.820 -0.367 0.000 1.920 130 A HA 0.179 4.500 4.320 0.001 0.000 0.209 130 A C 1.912 179.322 177.584 -0.291 0.000 1.229 130 A CA 0.651 52.528 52.037 -0.267 0.000 0.671 130 A CB -1.022 17.774 19.000 -0.341 0.000 0.886 130 A HN 0.335 nan 8.150 nan 0.000 0.461 131 L N 0.115 121.148 121.223 -0.317 0.000 2.141 131 L HA 0.041 4.382 4.340 0.001 0.000 0.209 131 L C 2.562 179.274 176.870 -0.263 0.000 1.094 131 L CA 1.844 56.529 54.840 -0.258 0.000 0.763 131 L CB -0.721 41.200 42.059 -0.230 0.000 0.908 131 L HN 0.365 nan 8.230 nan 0.000 0.437 132 A N 0.732 123.347 122.820 -0.342 0.000 1.845 132 A HA -0.069 4.252 4.320 0.001 0.000 0.215 132 A C -0.038 177.276 177.584 -0.449 0.000 1.195 132 A CA 1.781 53.567 52.037 -0.418 0.000 0.616 132 A CB -2.101 16.527 19.000 -0.620 0.000 0.832 132 A HN 0.455 nan 8.150 nan 0.000 0.443 133 P HA -0.139 nan 4.420 nan 0.000 0.217 133 P C 1.826 179.035 177.300 -0.152 0.000 1.150 133 P CA 0.997 63.943 63.100 -0.257 0.000 0.832 133 P CB -0.184 31.411 31.700 -0.176 0.000 0.787 134 L N -0.572 120.527 121.223 -0.208 0.000 1.990 134 L HA -0.168 4.172 4.340 0.001 0.000 0.213 134 L C 2.648 179.424 176.870 -0.156 0.000 1.072 134 L CA 1.718 56.425 54.840 -0.222 0.000 0.755 134 L CB -0.833 41.026 42.059 -0.334 0.000 0.889 134 L HN -0.161 nan 8.230 nan 0.000 0.432 135 L N -0.562 120.591 121.223 -0.116 0.000 2.201 135 L HA -0.199 4.142 4.340 0.001 0.000 0.212 135 L C 2.525 179.390 176.870 -0.008 0.000 1.105 135 L CA 1.241 56.060 54.840 -0.035 0.000 0.775 135 L CB -0.499 41.541 42.059 -0.031 0.000 0.913 135 L HN 0.456 nan 8.230 nan 0.000 0.440 136 E N 0.718 120.912 120.200 -0.011 0.000 2.077 136 E HA -0.223 4.127 4.350 0.001 0.000 0.193 136 E C 2.273 178.887 176.600 0.023 0.000 0.989 136 E CA 1.099 57.519 56.400 0.035 0.000 0.800 136 E CB 0.045 29.802 29.700 0.096 0.000 0.746 136 E HN 0.482 nan 8.360 nan 0.000 0.452 137 L N -0.182 121.038 121.223 -0.004 0.000 2.179 137 L HA 0.018 4.359 4.340 0.001 0.000 0.208 137 L C 1.398 178.268 176.870 -0.000 0.000 1.096 137 L CA 0.574 55.409 54.840 -0.008 0.000 0.779 137 L CB 0.297 42.335 42.059 -0.036 0.000 0.922 137 L HN -0.029 nan 8.230 nan 0.000 0.443 138 S N -0.526 115.173 115.700 -0.001 0.000 2.259 138 S HA 0.232 4.703 4.470 0.001 0.000 0.181 138 S C 0.708 175.368 174.600 0.100 0.000 1.589 138 S CA -0.702 57.528 58.200 0.049 0.000 1.234 138 S CB 0.380 63.600 63.200 0.033 0.000 1.119 138 S HN 0.099 nan 8.310 nan 0.000 0.458 139 K N 1.968 122.417 120.400 0.082 0.000 2.283 139 K HA 0.001 4.322 4.320 0.001 0.000 0.202 139 K C 1.725 178.395 176.600 0.117 0.000 1.048 139 K CA 1.090 57.428 56.287 0.084 0.000 0.948 139 K CB -0.032 32.505 32.500 0.060 0.000 0.742 139 K HN 0.619 nan 8.250 nan 0.000 0.458 140 G N 0.108 108.995 108.800 0.145 0.000 3.042 140 G HA2 -0.104 3.857 3.960 0.001 0.000 0.212 140 G HA3 -0.104 3.857 3.960 0.001 0.000 0.212 140 G C -0.519 174.531 174.900 0.250 0.000 1.166 140 G CA -0.623 44.580 45.100 0.171 0.000 0.767 140 G HN 0.202 nan 8.290 nan 0.000 0.546 141 W N 2.579 123.915 121.300 0.059 0.000 2.303 141 W HA 0.357 5.018 4.660 0.001 0.000 0.318 141 W C -0.026 176.534 176.519 0.067 0.000 1.362 141 W CA -0.297 57.082 57.345 0.057 0.000 1.234 141 W CB 0.165 29.620 29.460 -0.007 0.000 1.248 141 W HN 0.051 nan 8.180 nan 0.000 0.546 142 H N 4.740 123.426 119.070 -0.639 0.000 2.492 142 H HA 0.082 4.638 4.556 0.001 0.000 0.345 142 H C -0.134 174.351 175.328 -1.405 0.000 1.136 142 H CA -0.842 54.805 56.048 -0.669 0.000 1.202 142 H CB 1.321 30.895 29.762 -0.314 0.000 1.524 142 H HN 0.283 nan 8.280 nan 0.000 0.506 143 H N 5.600 124.025 119.070 -1.075 0.000 3.046 143 H HA -0.008 4.549 4.556 0.001 0.000 0.303 143 H C -1.724 173.404 175.328 -0.334 0.000 1.002 143 H CA -1.579 53.988 56.048 -0.802 0.000 1.460 143 H CB 1.180 30.912 29.762 -0.050 0.000 1.493 143 H HN 0.464 nan 8.280 nan 0.000 0.559 144 P HA -0.082 nan 4.420 nan 0.000 0.226 144 P C 1.045 178.364 177.300 0.032 0.000 1.153 144 P CA 1.012 64.079 63.100 -0.055 0.000 0.777 144 P CB 0.355 32.015 31.700 -0.067 0.000 0.794 145 K N -1.196 119.313 120.400 0.182 0.000 2.356 145 K HA 0.026 4.347 4.320 0.001 0.000 0.195 145 K C -0.112 176.123 176.600 -0.607 0.000 1.037 145 K CA 0.387 56.505 56.287 -0.281 0.000 1.014 145 K CB 0.273 32.487 32.500 -0.478 0.000 0.815 145 K HN 0.131 nan 8.250 nan 0.000 0.507 146 Y N -0.072 120.298 120.300 0.117 0.000 2.490 146 Y HA 0.090 4.640 4.550 0.001 0.000 0.346 146 Y C 0.741 176.740 175.900 0.166 0.000 1.023 146 Y CA -0.939 57.231 58.100 0.117 0.000 1.142 146 Y CB 0.607 39.204 38.460 0.228 0.000 1.126 146 Y HN -0.215 nan 8.280 nan 0.000 0.647 147 V N -1.866 118.159 119.914 0.185 0.000 2.720 147 V HA -0.220 3.901 4.120 0.001 0.000 0.256 147 V C 1.338 177.583 176.094 0.251 0.000 1.082 147 V CA 2.221 64.616 62.300 0.159 0.000 1.101 147 V CB -0.238 31.598 31.823 0.020 0.000 0.693 147 V HN 0.732 nan 8.190 nan 0.000 0.479 148 E N -1.879 118.454 120.200 0.221 0.000 2.463 148 E HA -0.007 4.343 4.350 0.001 0.000 0.193 148 E C 0.639 177.407 176.600 0.280 0.000 1.041 148 E CA -0.657 55.859 56.400 0.193 0.000 0.879 148 E CB 0.040 29.790 29.700 0.082 0.000 0.997 148 E HN 0.630 nan 8.360 nan 0.000 0.478 149 W N 3.162 124.534 121.300 0.119 0.000 2.342 149 W HA 0.256 4.917 4.660 0.002 0.000 0.310 149 W C -0.603 175.867 176.519 -0.082 0.000 1.128 149 W CA -1.650 55.704 57.345 0.016 0.000 1.322 149 W CB 0.758 30.204 29.460 -0.022 0.000 1.251 149 W HN -0.030 nan 8.180 nan 0.000 0.439 150 D N 4.820 125.393 120.400 0.288 0.000 2.342 150 D HA 0.015 4.656 4.640 0.001 0.000 0.260 150 D C 1.193 177.413 176.300 -0.133 0.000 1.278 150 D CA 0.275 54.276 54.000 0.002 0.000 0.910 150 D CB 0.748 41.602 40.800 0.091 0.000 1.079 150 D HN 0.455 nan 8.370 nan 0.000 0.496 151 L N 3.342 124.368 121.223 -0.328 0.000 2.275 151 L HA -0.094 4.247 4.340 0.001 0.000 0.215 151 L C 1.894 178.626 176.870 -0.230 0.000 1.119 151 L CA 0.589 55.198 54.840 -0.385 0.000 0.790 151 L CB -0.393 41.498 42.059 -0.281 0.000 0.919 151 L HN 0.500 nan 8.230 nan 0.000 0.443 152 N N 0.471 119.093 118.700 -0.131 0.000 2.137 152 N HA -0.211 4.530 4.740 0.001 0.000 0.190 152 N C 1.860 177.339 175.510 -0.052 0.000 1.017 152 N CA 1.152 54.161 53.050 -0.068 0.000 0.859 152 N CB -0.114 38.357 38.487 -0.026 0.000 1.002 152 N HN 0.361 nan 8.380 nan 0.000 0.428 153 I N 0.729 121.280 120.570 -0.033 0.000 2.233 153 I HA -0.184 3.987 4.170 0.001 0.000 0.243 153 I C 2.605 178.724 176.117 0.002 0.000 1.093 153 I CA 0.760 62.074 61.300 0.022 0.000 1.380 153 I CB -0.163 37.903 38.000 0.111 0.000 1.067 153 I HN 0.056 nan 8.210 nan 0.000 0.413 154 R N 1.620 122.065 120.500 -0.092 0.000 2.105 154 R HA -0.198 4.143 4.340 0.001 0.000 0.239 154 R C 2.091 178.302 176.300 -0.148 0.000 1.135 154 R CA 1.628 57.625 56.100 -0.171 0.000 0.967 154 R CB -0.933 28.984 30.300 -0.638 0.000 0.861 154 R HN 0.253 nan 8.270 nan 0.000 0.442 155 L N 0.740 121.872 121.223 -0.152 0.000 2.083 155 L HA -0.060 4.281 4.340 0.001 0.000 0.209 155 L C 1.611 178.441 176.870 -0.066 0.000 1.083 155 L CA 1.880 56.648 54.840 -0.119 0.000 0.752 155 L CB -0.390 41.604 42.059 -0.109 0.000 0.899 155 L HN 0.146 nan 8.230 nan 0.000 0.433 156 K N -0.399 119.977 120.400 -0.039 0.000 2.097 156 K HA -0.159 4.162 4.320 0.001 0.000 0.206 156 K C 1.885 178.481 176.600 -0.007 0.000 1.049 156 K CA 1.714 57.994 56.287 -0.013 0.000 0.933 156 K CB -0.171 32.331 32.500 0.002 0.000 0.717 156 K HN 0.440 nan 8.250 nan 0.000 0.442 157 E N 0.596 120.794 120.200 -0.004 0.000 2.265 157 E HA -0.082 4.269 4.350 0.001 0.000 0.196 157 E C 0.310 176.904 176.600 -0.010 0.000 0.996 157 E CA 0.352 56.757 56.400 0.007 0.000 0.832 157 E CB 0.006 29.728 29.700 0.036 0.000 0.756 157 E HN 0.213 nan 8.360 nan 0.000 0.491 158 L N 0.566 121.768 121.223 -0.035 0.000 2.456 158 L HA 0.211 4.552 4.340 0.001 0.000 0.257 158 L C 0.997 177.849 176.870 -0.029 0.000 1.162 158 L CA -0.718 54.092 54.840 -0.050 0.000 0.808 158 L CB 0.492 42.491 42.059 -0.100 0.000 1.136 158 L HN 0.053 nan 8.230 nan 0.000 0.466 159 G N 0.873 109.657 108.800 -0.026 0.000 2.287 159 G HA2 -0.011 3.950 3.960 0.001 0.000 0.235 159 G HA3 -0.011 3.950 3.960 0.001 0.000 0.235 159 G C 0.016 174.924 174.900 0.014 0.000 1.258 159 G CA -0.262 44.839 45.100 0.002 0.000 0.884 159 G HN 0.701 nan 8.290 nan 0.000 0.518 160 E N 0.512 120.728 120.200 0.026 0.000 2.492 160 E HA 0.168 4.519 4.350 0.001 0.000 0.266 160 E C 0.009 176.646 176.600 0.062 0.000 1.047 160 E CA 0.382 56.805 56.400 0.038 0.000 0.968 160 E CB 0.372 30.095 29.700 0.037 0.000 0.960 160 E HN 0.423 nan 8.360 nan 0.000 0.452 161 I N 3.074 123.691 120.570 0.079 0.000 2.722 161 I HA 0.249 4.420 4.170 0.001 0.000 0.292 161 I C -1.514 174.692 176.117 0.148 0.000 1.267 161 I CA -1.024 60.352 61.300 0.127 0.000 1.036 161 I CB 1.713 39.797 38.000 0.139 0.000 1.281 161 I HN 0.278 nan 8.210 nan 0.000 0.423 162 V N 7.028 127.030 119.914 0.147 0.000 2.383 162 V HA 0.277 4.398 4.120 0.001 0.000 0.275 162 V C 0.148 176.280 176.094 0.064 0.000 1.036 162 V CA -0.573 61.783 62.300 0.094 0.000 0.889 162 V CB 1.323 33.181 31.823 0.059 0.000 0.985 162 V HN 0.609 nan 8.190 nan 0.000 0.459 163 K N 5.857 126.232 120.400 -0.041 0.000 2.292 163 K HA 0.401 4.722 4.320 0.001 0.000 0.290 163 K C -0.257 176.185 176.600 -0.265 0.000 1.083 163 K CA -0.362 55.706 56.287 -0.365 0.000 0.918 163 K CB 0.234 32.545 32.500 -0.315 0.000 1.089 163 K HN 0.604 nan 8.250 nan 0.000 0.473 164 L N 3.780 124.835 121.223 -0.280 0.000 2.474 164 L HA 0.073 4.414 4.340 0.001 0.000 0.259 164 L C 1.412 178.163 176.870 -0.199 0.000 1.232 164 L CA -0.153 54.576 54.840 -0.186 0.000 0.821 164 L CB 0.449 42.407 42.059 -0.168 0.000 1.108 164 L HN 0.642 nan 8.230 nan 0.000 0.495 165 K N 0.316 120.616 120.400 -0.166 0.000 2.353 165 K HA 0.109 4.430 4.320 0.001 0.000 0.195 165 K C 0.081 176.577 176.600 -0.173 0.000 1.031 165 K CA 0.056 56.256 56.287 -0.145 0.000 1.079 165 K CB 0.450 32.888 32.500 -0.104 0.000 0.857 165 K HN 0.495 nan 8.250 nan 0.000 0.535 166 Q N 1.121 120.767 119.800 -0.257 0.000 2.364 166 Q HA 0.065 4.406 4.340 0.001 0.000 0.267 166 Q C 0.206 176.077 176.000 -0.215 0.000 0.999 166 Q CA 0.390 56.001 55.803 -0.320 0.000 0.886 166 Q CB 1.029 29.367 28.738 -0.666 0.000 1.243 166 Q HN 0.206 nan 8.270 nan 0.000 0.415 167 T N -1.917 112.549 114.554 -0.146 0.000 2.887 167 T HA 0.414 4.765 4.350 0.001 0.000 0.292 167 T C -0.216 174.462 174.700 -0.036 0.000 1.087 167 T CA -0.921 61.126 62.100 -0.088 0.000 1.009 167 T CB 0.584 69.419 68.868 -0.055 0.000 1.203 167 T HN 0.261 nan 8.240 nan 0.000 0.518 168 L N 1.280 122.477 121.223 -0.042 0.000 2.715 168 L HA 0.460 4.801 4.340 0.001 0.000 0.238 168 L C 1.439 178.412 176.870 0.173 0.000 1.212 168 L CA -0.205 54.617 54.840 -0.030 0.000 1.017 168 L CB -2.013 39.944 42.059 -0.169 0.000 1.269 168 L HN 0.955 nan 8.230 nan 0.000 0.452 169 A N -0.282 122.609 122.820 0.117 0.000 2.406 169 A HA 0.162 4.483 4.320 0.001 0.000 0.243 169 A C 1.431 179.081 177.584 0.110 0.000 1.082 169 A CA -0.164 51.929 52.037 0.094 0.000 0.786 169 A CB 0.283 19.308 19.000 0.042 0.000 1.029 169 A HN 0.380 nan 8.150 nan 0.000 0.495 170 N N -0.035 118.706 118.700 0.068 0.000 2.188 170 N HA -0.062 4.679 4.740 0.001 0.000 0.184 170 N C 0.197 175.719 175.510 0.021 0.000 1.018 170 N CA 1.362 54.434 53.050 0.037 0.000 0.858 170 N CB -0.312 38.195 38.487 0.034 0.000 0.989 170 N HN 0.629 nan 8.380 nan 0.000 0.426 171 T N 3.485 118.055 114.554 0.027 0.000 2.733 171 T HA 0.357 4.708 4.350 0.001 0.000 0.294 171 T C 0.471 175.181 174.700 0.017 0.000 0.956 171 T CA -0.578 61.536 62.100 0.023 0.000 0.987 171 T CB 0.915 69.794 68.868 0.019 0.000 0.920 171 T HN 0.067 nan 8.240 nan 0.000 0.470 172 I N 0.751 121.328 120.570 0.011 0.000 2.498 172 I HA 0.719 4.890 4.170 0.001 0.000 0.301 172 I C -0.554 175.555 176.117 -0.013 0.000 0.984 172 I CA -1.258 60.036 61.300 -0.010 0.000 1.204 172 I CB 1.419 39.397 38.000 -0.037 0.000 1.362 172 I HN 0.311 nan 8.210 nan 0.000 0.471 173 R N 5.556 126.040 120.500 -0.026 0.000 2.312 173 R HA 0.496 4.837 4.340 0.001 0.000 0.311 173 R C -0.210 176.066 176.300 -0.040 0.000 1.004 173 R CA -0.442 55.643 56.100 -0.024 0.000 0.902 173 R CB 1.262 31.546 30.300 -0.026 0.000 1.073 173 R HN 0.798 nan 8.270 nan 0.000 0.457 174 M N 2.472 122.046 119.600 -0.043 0.000 2.047 174 M HA 0.443 4.924 4.480 0.001 0.000 0.342 174 M C -0.369 175.888 176.300 -0.073 0.000 1.058 174 M CA -0.450 54.816 55.300 -0.057 0.000 0.991 174 M CB 1.155 33.716 32.600 -0.064 0.000 1.474 174 M HN 0.724 nan 8.290 nan 0.000 0.419 175 G N 5.699 114.463 108.800 -0.059 0.000 2.380 175 G HA2 0.457 4.418 3.960 0.001 0.000 0.262 175 G HA3 0.457 4.418 3.960 0.001 0.000 0.262 175 G C -0.403 174.436 174.900 -0.102 0.000 1.243 175 G CA -0.668 44.391 45.100 -0.067 0.000 0.865 175 G HN 0.836 nan 8.290 nan 0.000 0.513 176 I N 1.950 122.426 120.570 -0.156 0.000 2.396 176 I HA 0.108 4.279 4.170 0.001 0.000 0.289 176 I C -0.131 175.901 176.117 -0.142 0.000 1.056 176 I CA -0.335 60.847 61.300 -0.196 0.000 1.365 176 I CB 1.542 39.322 38.000 -0.367 0.000 1.407 176 I HN 0.002 nan 8.210 nan 0.000 0.509 177 V N 7.094 126.909 119.914 -0.165 0.000 2.275 177 V HA 0.204 4.325 4.120 0.001 0.000 0.272 177 V C 0.202 176.156 176.094 -0.232 0.000 1.028 177 V CA -0.605 61.569 62.300 -0.211 0.000 0.810 177 V CB 0.862 32.479 31.823 -0.342 0.000 1.043 177 V HN 0.717 nan 8.190 nan 0.000 0.453 178 N N 4.695 123.306 118.700 -0.148 0.000 2.438 178 N HA 0.401 5.142 4.740 0.001 0.000 0.282 178 N C 0.092 175.531 175.510 -0.119 0.000 1.037 178 N CA -0.453 52.529 53.050 -0.114 0.000 0.942 178 N CB 1.888 40.353 38.487 -0.037 0.000 1.136 178 N HN 0.584 nan 8.380 nan 0.000 0.481 179 L N 1.895 123.046 121.223 -0.120 0.000 2.906 179 L HA 0.116 4.457 4.340 0.001 0.000 0.255 179 L C 1.228 178.085 176.870 -0.023 0.000 1.166 179 L CA -0.236 54.549 54.840 -0.092 0.000 0.977 179 L CB 0.047 42.023 42.059 -0.138 0.000 1.313 179 L HN 0.494 nan 8.230 nan 0.000 0.549 180 S N -0.281 115.410 115.700 -0.014 0.000 2.640 180 S HA 0.033 4.504 4.470 0.001 0.000 0.262 180 S C 1.481 176.103 174.600 0.037 0.000 1.232 180 S CA -0.063 58.141 58.200 0.006 0.000 0.988 180 S CB 0.377 63.578 63.200 0.002 0.000 1.034 180 S HN 0.411 nan 8.310 nan 0.000 0.569 181 N N 0.659 119.373 118.700 0.023 0.000 2.205 181 N HA -0.278 4.463 4.740 0.001 0.000 0.186 181 N C 1.474 177.029 175.510 0.075 0.000 1.015 181 N CA 1.711 54.782 53.050 0.036 0.000 0.862 181 N CB -0.826 37.652 38.487 -0.014 0.000 0.986 181 N HN 0.787 nan 8.380 nan 0.000 0.429 182 Q N 0.344 120.172 119.800 0.046 0.000 2.248 182 Q HA -0.086 4.255 4.340 0.001 0.000 0.208 182 Q C 1.419 177.450 176.000 0.050 0.000 0.984 182 Q CA 1.929 57.755 55.803 0.040 0.000 0.875 182 Q CB -0.120 28.632 28.738 0.023 0.000 0.910 182 Q HN 0.706 nan 8.270 nan 0.000 0.433 183 S N -1.167 114.571 115.700 0.064 0.000 2.629 183 S HA 0.123 4.593 4.470 0.001 0.000 0.236 183 S C 0.035 174.674 174.600 0.066 0.000 1.010 183 S CA -0.778 57.449 58.200 0.044 0.000 0.981 183 S CB -0.083 63.127 63.200 0.017 0.000 0.919 183 S HN 0.262 nan 8.310 nan 0.000 0.514 184 F N 4.303 124.240 119.950 -0.023 0.000 2.578 184 F HA 0.423 4.951 4.527 0.001 0.000 0.381 184 F C 0.806 176.592 175.800 -0.022 0.000 1.069 184 F CA 0.625 58.611 58.000 -0.023 0.000 1.231 184 F CB 0.735 39.721 39.000 -0.022 0.000 1.086 184 F HN 0.283 nan 8.300 nan 0.000 0.564 185 S N 1.764 116.950 115.700 -0.857 0.000 3.041 185 S HA 0.134 4.605 4.470 0.001 0.000 0.244 185 S C -0.899 173.300 174.600 -0.669 0.000 0.837 185 S CA -0.814 56.983 58.200 -0.671 0.000 1.206 185 S CB -0.791 62.243 63.200 -0.277 0.000 1.218 185 S HN 0.556 nan 8.310 nan 0.000 0.591 186 D N 2.672 122.483 120.400 -0.982 0.000 2.571 186 D HA 0.413 5.054 4.640 0.001 0.000 0.231 186 D C 0.914 177.029 176.300 -0.308 0.000 1.133 186 D CA 1.192 54.898 54.000 -0.490 0.000 0.862 186 D CB 0.359 40.954 40.800 -0.342 0.000 1.179 186 D HN 0.508 nan 8.370 nan 0.000 0.474 187 G N 1.010 109.699 108.800 -0.185 0.000 2.557 187 G HA2 0.052 4.013 3.960 0.001 0.000 0.302 187 G HA3 0.052 4.013 3.960 0.001 0.000 0.302 187 G C 0.985 175.775 174.900 -0.183 0.000 1.311 187 G CA -0.595 44.420 45.100 -0.141 0.000 1.030 187 G HN 0.370 nan 8.290 nan 0.000 0.509 188 N N -0.807 117.728 118.700 -0.274 0.000 2.192 188 N HA -0.092 4.648 4.740 0.001 0.000 0.188 188 N C 0.412 175.350 175.510 -0.952 0.000 1.013 188 N CA 1.321 53.968 53.050 -0.672 0.000 0.863 188 N CB -0.060 37.877 38.487 -0.917 0.000 0.990 188 N HN 0.429 nan 8.380 nan 0.000 0.430 189 F N -0.340 119.604 119.950 -0.011 0.000 2.777 189 F HA 0.354 4.882 4.527 0.001 0.000 0.361 189 F C -0.632 175.157 175.800 -0.018 0.000 1.254 189 F CA -0.797 57.198 58.000 -0.008 0.000 1.181 189 F CB 0.690 39.687 39.000 -0.005 0.000 1.082 189 F HN -0.346 nan 8.300 nan 0.000 0.510 190 D N 0.480 120.911 120.400 0.052 0.000 2.896 190 D HA 0.292 4.932 4.640 0.001 0.000 0.241 190 D C -0.168 176.106 176.300 -0.044 0.000 1.188 190 D CA -0.264 53.742 54.000 0.010 0.000 0.879 190 D CB 1.736 42.529 40.800 -0.011 0.000 1.553 190 D HN 0.113 nan 8.370 nan 0.000 0.515 191 D N 0.099 120.472 120.400 -0.045 0.000 2.540 191 D HA 0.032 4.673 4.640 0.001 0.000 0.229 191 D C 0.448 176.694 176.300 -0.090 0.000 1.250 191 D CA -0.180 53.778 54.000 -0.070 0.000 0.817 191 D CB 0.078 40.854 40.800 -0.040 0.000 1.060 191 D HN 0.006 nan 8.370 nan 0.000 0.508 192 N N 1.048 119.701 118.700 -0.078 0.000 2.512 192 N HA -0.126 4.615 4.740 0.001 0.000 0.183 192 N C 1.608 177.082 175.510 -0.060 0.000 1.073 192 N CA 0.360 53.364 53.050 -0.077 0.000 0.911 192 N CB -0.101 38.361 38.487 -0.042 0.000 0.964 192 N HN 0.409 nan 8.380 nan 0.000 0.447 193 Q N 0.807 120.567 119.800 -0.067 0.000 2.112 193 Q HA -0.151 4.189 4.340 0.001 0.000 0.206 193 Q C 1.349 177.339 176.000 -0.017 0.000 0.987 193 Q CA 1.399 57.172 55.803 -0.049 0.000 0.858 193 Q CB 0.124 28.814 28.738 -0.080 0.000 0.905 193 Q HN 0.062 nan 8.270 nan 0.000 0.420 194 R N 0.569 121.061 120.500 -0.012 0.000 2.120 194 R HA -0.084 4.257 4.340 0.001 0.000 0.234 194 R C 2.140 178.515 176.300 0.124 0.000 1.123 194 R CA 1.599 57.729 56.100 0.050 0.000 0.975 194 R CB -0.055 30.291 30.300 0.077 0.000 0.866 194 R HN 0.279 nan 8.270 nan 0.000 0.446 195 K N -0.329 120.090 120.400 0.031 0.000 2.116 195 K HA 0.048 4.369 4.320 0.001 0.000 0.203 195 K C 1.886 178.553 176.600 0.112 0.000 1.052 195 K CA 0.844 57.163 56.287 0.054 0.000 0.952 195 K CB -0.033 32.388 32.500 -0.132 0.000 0.729 195 K HN 0.092 nan 8.250 nan 0.000 0.446 196 L N 1.446 122.705 121.223 0.060 0.000 2.093 196 L HA -0.162 4.179 4.340 0.001 0.000 0.208 196 L C 2.429 179.339 176.870 0.067 0.000 1.085 196 L CA 1.009 55.883 54.840 0.056 0.000 0.755 196 L CB -0.570 41.504 42.059 0.025 0.000 0.904 196 L HN 0.376 nan 8.230 nan 0.000 0.435 197 N N 0.761 119.501 118.700 0.067 0.000 2.244 197 N HA -0.196 4.545 4.740 0.001 0.000 0.183 197 N C 2.037 177.605 175.510 0.096 0.000 1.016 197 N CA 0.892 53.980 53.050 0.064 0.000 0.866 197 N CB 0.175 38.688 38.487 0.043 0.000 0.980 197 N HN 0.192 nan 8.380 nan 0.000 0.430 198 L N 1.803 123.123 121.223 0.161 0.000 1.976 198 L HA -0.152 4.189 4.340 0.001 0.000 0.209 198 L C 2.043 179.013 176.870 0.168 0.000 1.071 198 L CA 2.143 57.114 54.840 0.218 0.000 0.746 198 L CB -1.239 41.045 42.059 0.375 0.000 0.890 198 L HN 0.139 nan 8.230 nan 0.000 0.432 199 D N -0.657 119.832 120.400 0.148 0.000 2.127 199 D HA -0.351 4.290 4.640 0.001 0.000 0.190 199 D C 2.112 178.461 176.300 0.082 0.000 1.000 199 D CA 1.973 56.038 54.000 0.107 0.000 0.839 199 D CB -0.290 40.561 40.800 0.085 0.000 0.955 199 D HN 0.621 nan 8.370 nan 0.000 0.446 200 E N -0.264 119.976 120.200 0.067 0.000 2.108 200 E HA -0.262 4.089 4.350 0.001 0.000 0.203 200 E C 2.345 178.972 176.600 0.044 0.000 1.022 200 E CA 1.252 57.680 56.400 0.046 0.000 0.823 200 E CB -0.389 29.333 29.700 0.037 0.000 0.744 200 E HN 0.447 nan 8.360 nan 0.000 0.456 201 L N 0.329 121.588 121.223 0.059 0.000 1.994 201 L HA -0.202 4.139 4.340 0.001 0.000 0.208 201 L C 2.714 179.617 176.870 0.056 0.000 1.071 201 L CA 1.295 56.166 54.840 0.052 0.000 0.745 201 L CB -0.332 41.766 42.059 0.065 0.000 0.892 201 L HN 0.302 nan 8.230 nan 0.000 0.431 202 I N -0.795 119.833 120.570 0.096 0.000 2.163 202 I HA -0.325 3.846 4.170 0.001 0.000 0.243 202 I C 2.728 178.877 176.117 0.054 0.000 1.085 202 I CA 1.138 62.509 61.300 0.118 0.000 1.347 202 I CB -0.311 37.788 38.000 0.166 0.000 1.044 202 I HN 0.381 nan 8.210 nan 0.000 0.408 203 Q N 0.271 120.096 119.800 0.042 0.000 2.096 203 Q HA -0.185 4.156 4.340 0.001 0.000 0.204 203 Q C 2.349 178.341 176.000 -0.013 0.000 0.982 203 Q CA 2.064 57.876 55.803 0.015 0.000 0.850 203 Q CB -0.635 28.114 28.738 0.018 0.000 0.901 203 Q HN 0.613 nan 8.270 nan 0.000 0.422 204 S N -1.245 114.449 115.700 -0.009 0.000 2.607 204 S HA 0.202 4.673 4.470 0.001 0.000 0.224 204 S C 1.304 175.874 174.600 -0.049 0.000 0.969 204 S CA 0.719 58.904 58.200 -0.024 0.000 0.927 204 S CB 0.298 63.491 63.200 -0.011 0.000 0.772 204 S HN 0.505 nan 8.310 nan 0.000 0.533 205 G N 0.363 109.120 108.800 -0.072 0.000 2.179 205 G HA2 -0.020 3.941 3.960 0.001 0.000 0.220 205 G HA3 -0.020 3.941 3.960 0.001 0.000 0.220 205 G C 0.232 175.044 174.900 -0.147 0.000 0.990 205 G CA -0.238 44.781 45.100 -0.135 0.000 0.646 205 G HN 1.296 nan 8.290 nan 0.000 0.517 206 A N 0.059 122.829 122.820 -0.082 0.000 2.566 206 A HA 0.521 4.842 4.320 0.001 0.000 0.245 206 A C 1.183 178.716 177.584 -0.085 0.000 1.056 206 A CA 1.546 53.549 52.037 -0.057 0.000 0.757 206 A CB 0.185 19.182 19.000 -0.005 0.000 0.979 206 A HN 0.486 nan 8.150 nan 0.000 0.508 207 E N 1.756 121.903 120.200 -0.088 0.000 2.122 207 E HA 0.138 4.489 4.350 0.001 0.000 0.190 207 E C 0.121 176.770 176.600 0.081 0.000 0.977 207 E CA 0.901 57.265 56.400 -0.060 0.000 0.820 207 E CB 0.058 29.711 29.700 -0.079 0.000 0.770 207 E HN 0.766 nan 8.360 nan 0.000 0.462 208 I N 0.997 121.565 120.570 -0.003 0.000 2.846 208 I HA 0.359 4.530 4.170 0.001 0.000 0.307 208 I C -0.428 175.687 176.117 -0.004 0.000 1.053 208 I CA -1.339 59.943 61.300 -0.031 0.000 1.050 208 I CB 2.095 40.037 38.000 -0.097 0.000 1.239 208 I HN -0.089 nan 8.210 nan 0.000 0.439 209 I N -0.393 120.168 120.570 -0.015 0.000 2.530 209 I HA 0.613 4.784 4.170 0.001 0.000 0.297 209 I C -1.297 174.775 176.117 -0.075 0.000 1.011 209 I CA -0.533 60.746 61.300 -0.036 0.000 1.107 209 I CB 1.987 39.978 38.000 -0.015 0.000 1.285 209 I HN 0.399 nan 8.210 nan 0.000 0.436 210 D N 6.269 126.611 120.400 -0.097 0.000 2.414 210 D HA 0.532 5.173 4.640 0.001 0.000 0.232 210 D C -0.881 175.328 176.300 -0.152 0.000 1.070 210 D CA -0.289 53.645 54.000 -0.111 0.000 0.839 210 D CB 1.237 41.972 40.800 -0.109 0.000 1.079 210 D HN 0.538 nan 8.370 nan 0.000 0.521 211 I N 3.148 123.620 120.570 -0.163 0.000 2.339 211 I HA 0.612 4.783 4.170 0.001 0.000 0.290 211 I C 0.791 176.807 176.117 -0.168 0.000 0.994 211 I CA -0.689 60.473 61.300 -0.231 0.000 1.191 211 I CB 1.948 39.780 38.000 -0.280 0.000 1.343 211 I HN 0.370 nan 8.210 nan 0.000 0.458 212 G N 3.246 111.945 108.800 -0.169 0.000 2.620 212 G HA2 0.633 4.594 3.960 0.001 0.000 0.301 212 G HA3 0.633 4.594 3.960 0.001 0.000 0.301 212 G C -0.137 174.704 174.900 -0.098 0.000 1.347 212 G CA -0.359 44.678 45.100 -0.105 0.000 0.971 212 G HN 0.679 nan 8.290 nan 0.000 0.488 213 A N 0.741 123.526 122.820 -0.058 0.000 2.358 213 A HA 0.460 4.781 4.320 0.001 0.000 0.223 213 A C 0.674 178.247 177.584 -0.018 0.000 1.218 213 A CA 0.137 52.149 52.037 -0.042 0.000 0.942 213 A CB 0.107 19.087 19.000 -0.032 0.000 1.005 213 A HN 0.574 nan 8.150 nan 0.000 0.514 214 E N 0.833 121.027 120.200 -0.010 0.000 2.313 214 E HA 0.380 4.731 4.350 0.001 0.000 0.276 214 E C 0.066 176.671 176.600 0.008 0.000 1.031 214 E CA -0.228 56.174 56.400 0.003 0.000 0.857 214 E CB 0.699 30.406 29.700 0.011 0.000 1.040 214 E HN 0.250 nan 8.360 nan 0.000 0.408 215 S N 1.749 117.456 115.700 0.012 0.000 2.585 215 S HA -0.002 4.469 4.470 0.001 0.000 0.273 215 S C 1.160 175.779 174.600 0.032 0.000 1.339 215 S CA 0.248 58.459 58.200 0.018 0.000 1.028 215 S CB 0.926 64.133 63.200 0.013 0.000 0.906 215 S HN 0.704 nan 8.310 nan 0.000 0.528 216 T N 1.112 115.687 114.554 0.035 0.000 3.065 216 T HA 0.219 4.570 4.350 0.001 0.000 0.252 216 T C 0.274 174.995 174.700 0.034 0.000 1.099 216 T CA 0.007 62.136 62.100 0.048 0.000 1.063 216 T CB -0.236 68.660 68.868 0.047 0.000 0.948 216 T HN 0.598 nan 8.240 nan 0.000 0.506 217 K N 2.736 123.148 120.400 0.021 0.000 2.453 217 K HA 0.112 4.433 4.320 0.001 0.000 0.280 217 K C -1.687 174.926 176.600 0.021 0.000 1.045 217 K CA -1.132 55.163 56.287 0.012 0.000 1.059 217 K CB 0.643 33.147 32.500 0.006 0.000 0.901 217 K HN 0.096 nan 8.250 nan 0.000 0.475 218 P HA -0.220 nan 4.420 nan 0.000 0.216 218 P C -0.439 176.876 177.300 0.024 0.000 1.167 218 P CA 1.563 64.679 63.100 0.027 0.000 0.914 218 P CB 0.040 31.749 31.700 0.014 0.000 0.793 219 D N -1.102 119.306 120.400 0.014 0.000 2.349 219 D HA 0.597 5.238 4.640 0.001 0.000 0.232 219 D C -0.439 175.865 176.300 0.007 0.000 1.071 219 D CA -0.906 53.100 54.000 0.011 0.000 0.832 219 D CB 1.275 42.079 40.800 0.007 0.000 1.086 219 D HN 0.238 nan 8.370 nan 0.000 0.504 223 I N -1.077 119.498 120.570 0.008 0.000 2.730 223 I HA 0.817 4.988 4.170 0.001 0.000 0.298 223 I C 0.119 176.248 176.117 0.019 0.000 1.089 223 I CA -0.808 60.498 61.300 0.010 0.000 1.041 223 I CB 2.555 40.561 38.000 0.010 0.000 1.235 223 I HN 0.419 nan 8.210 nan 0.000 0.423 224 S N 4.542 120.256 115.700 0.023 0.000 2.593 224 S HA 0.364 4.835 4.470 0.001 0.000 0.269 224 S C 1.021 175.648 174.600 0.046 0.000 1.334 224 S CA -0.621 57.596 58.200 0.029 0.000 1.015 224 S CB 1.291 64.509 63.200 0.029 0.000 0.912 224 S HN 0.735 nan 8.310 nan 0.000 0.541 225 I N 0.726 121.322 120.570 0.045 0.000 2.208 225 I HA -0.199 3.972 4.170 0.001 0.000 0.245 225 I C 2.864 179.045 176.117 0.107 0.000 1.097 225 I CA 1.834 63.170 61.300 0.061 0.000 1.363 225 I CB -0.405 37.613 38.000 0.030 0.000 1.051 225 I HN 0.859 nan 8.210 nan 0.000 0.413 226 E N 0.556 120.811 120.200 0.091 0.000 2.051 226 E HA -0.282 4.069 4.350 0.001 0.000 0.192 226 E C 2.054 178.761 176.600 0.178 0.000 0.991 226 E CA 1.336 57.818 56.400 0.136 0.000 0.799 226 E CB 0.111 29.861 29.700 0.084 0.000 0.748 226 E HN 0.237 nan 8.360 nan 0.000 0.449 227 E N 0.757 121.021 120.200 0.106 0.000 2.107 227 E HA -0.167 4.184 4.350 0.001 0.000 0.191 227 E C 1.703 178.345 176.600 0.071 0.000 0.982 227 E CA 1.071 57.517 56.400 0.077 0.000 0.809 227 E CB -0.044 29.680 29.700 0.040 0.000 0.756 227 E HN 0.322 nan 8.360 nan 0.000 0.459 228 E N -0.941 119.309 120.200 0.083 0.000 2.047 228 E HA -0.186 4.165 4.350 0.001 0.000 0.191 228 E C 1.959 178.617 176.600 0.097 0.000 0.987 228 E CA 0.977 57.419 56.400 0.069 0.000 0.799 228 E CB -0.348 29.392 29.700 0.066 0.000 0.752 228 E HN 0.317 nan 8.360 nan 0.000 0.449 229 F N 2.271 122.239 119.950 0.031 0.000 2.095 229 F HA -0.239 4.289 4.527 0.001 0.000 0.298 229 F C 1.823 177.660 175.800 0.062 0.000 1.104 229 F CA 1.875 59.903 58.000 0.047 0.000 1.232 229 F CB -0.425 38.601 39.000 0.043 0.000 0.987 229 F HN 0.043 nan 8.300 nan 0.000 0.475 230 N N 0.919 119.567 118.700 -0.087 0.000 2.120 230 N HA -0.163 4.578 4.740 0.001 0.000 0.188 230 N C 1.800 177.207 175.510 -0.171 0.000 1.024 230 N CA 1.612 54.549 53.050 -0.189 0.000 0.852 230 N CB -0.449 38.054 38.487 0.027 0.000 1.003 230 N HN 0.405 nan 8.380 nan 0.000 0.424 231 K N 0.538 120.891 120.400 -0.079 0.000 2.057 231 K HA -0.032 4.288 4.320 0.001 0.000 0.207 231 K C 2.107 178.677 176.600 -0.050 0.000 1.049 231 K CA 0.785 57.048 56.287 -0.041 0.000 0.931 231 K CB -0.184 32.304 32.500 -0.019 0.000 0.714 231 K HN 0.132 nan 8.250 nan 0.000 0.440 232 L N 0.758 121.921 121.223 -0.100 0.000 2.005 232 L HA -0.192 4.149 4.340 0.001 0.000 0.207 232 L C 2.325 179.126 176.870 -0.117 0.000 1.072 232 L CA 1.250 56.041 54.840 -0.080 0.000 0.744 232 L CB -0.600 41.422 42.059 -0.062 0.000 0.895 232 L HN 0.212 nan 8.230 nan 0.000 0.433 233 N N -0.133 118.360 118.700 -0.345 0.000 2.094 233 N HA -0.238 4.503 4.740 0.001 0.000 0.191 233 N C 1.811 177.265 175.510 -0.093 0.000 1.023 233 N CA 1.371 54.255 53.050 -0.277 0.000 0.857 233 N CB 0.050 38.100 38.487 -0.729 0.000 1.013 233 N HN 0.183 nan 8.380 nan 0.000 0.426 234 E N -0.249 119.903 120.200 -0.080 0.000 2.038 234 E HA -0.189 4.162 4.350 0.001 0.000 0.195 234 E C 1.766 178.410 176.600 0.075 0.000 1.000 234 E CA 0.833 57.240 56.400 0.012 0.000 0.803 234 E CB -0.666 29.045 29.700 0.019 0.000 0.750 234 E HN 0.511 nan 8.360 nan 0.000 0.448 235 F N 1.149 121.077 119.950 -0.037 0.000 2.134 235 F HA -0.133 4.395 4.527 0.001 0.000 0.299 235 F C 2.254 178.094 175.800 0.066 0.000 1.097 235 F CA 1.048 59.062 58.000 0.022 0.000 1.264 235 F CB -0.157 38.828 39.000 -0.025 0.000 1.001 235 F HN -0.070 nan 8.300 nan 0.000 0.479 236 L N -0.042 121.209 121.223 0.047 0.000 2.083 236 L HA -0.180 4.161 4.340 0.001 0.000 0.209 236 L C 2.462 179.227 176.870 -0.174 0.000 1.083 236 L CA 1.071 55.806 54.840 -0.174 0.000 0.752 236 L CB -0.657 41.055 42.059 -0.580 0.000 0.899 236 L HN 0.089 nan 8.230 nan 0.000 0.433 237 E N -0.597 119.553 120.200 -0.084 0.000 2.153 237 E HA -0.256 4.095 4.350 0.001 0.000 0.194 237 E C 1.902 178.504 176.600 0.003 0.000 0.988 237 E CA 1.293 57.709 56.400 0.027 0.000 0.811 237 E CB -0.255 29.495 29.700 0.085 0.000 0.746 237 E HN 0.539 nan 8.360 nan 0.000 0.466 238 Y N 0.234 120.449 120.300 -0.142 0.000 2.220 238 Y HA -0.187 4.364 4.550 0.001 0.000 0.291 238 Y C 2.168 177.947 175.900 -0.203 0.000 1.129 238 Y CA 1.298 59.287 58.100 -0.185 0.000 1.161 238 Y CB -0.577 37.726 38.460 -0.262 0.000 0.997 238 Y HN -0.000 nan 8.280 nan 0.000 0.522 239 F N 1.309 120.963 119.950 -0.493 0.000 2.069 239 F HA -0.219 4.309 4.527 0.001 0.000 0.298 239 F C 2.295 177.881 175.800 -0.356 0.000 1.113 239 F CA 2.309 60.023 58.000 -0.476 0.000 1.214 239 F CB -0.396 38.414 39.000 -0.317 0.000 0.978 239 F HN -0.074 nan 8.300 nan 0.000 0.474 240 K N 0.150 120.468 120.400 -0.137 0.000 2.044 240 K HA -0.240 4.080 4.320 0.001 0.000 0.210 240 K C 2.331 178.776 176.600 -0.258 0.000 1.049 240 K CA 1.972 58.153 56.287 -0.176 0.000 0.927 240 K CB -0.554 31.928 32.500 -0.029 0.000 0.713 240 K HN 0.457 nan 8.250 nan 0.000 0.443 241 S N 0.585 116.129 115.700 -0.261 0.000 2.419 241 S HA -0.151 4.320 4.470 0.001 0.000 0.235 241 S C 1.657 176.047 174.600 -0.349 0.000 1.019 241 S CA 0.997 59.042 58.200 -0.258 0.000 0.982 241 S CB -0.011 63.064 63.200 -0.208 0.000 0.789 241 S HN 0.203 nan 8.310 nan 0.000 0.490 242 Q N -0.086 119.399 119.800 -0.525 0.000 2.282 242 Q HA 0.365 4.706 4.340 0.001 0.000 0.206 242 Q C 1.483 177.197 176.000 -0.477 0.000 0.878 242 Q CA -0.167 55.326 55.803 -0.517 0.000 0.944 242 Q CB -0.075 28.246 28.738 -0.695 0.000 1.100 242 Q HN 0.403 nan 8.270 nan 0.000 0.509 243 L N 0.792 121.715 121.223 -0.499 0.000 2.051 243 L HA -0.174 4.166 4.340 0.001 0.000 0.214 243 L C 1.934 178.601 176.870 -0.338 0.000 1.076 243 L CA 2.163 56.707 54.840 -0.492 0.000 0.758 243 L CB -0.839 40.982 42.059 -0.397 0.000 0.890 243 L HN 0.182 nan 8.230 nan 0.000 0.433 244 A N -1.627 121.038 122.820 -0.258 0.000 2.208 244 A HA -0.017 4.304 4.320 0.001 0.000 0.209 244 A C 1.593 179.082 177.584 -0.157 0.000 1.161 244 A CA 0.732 52.656 52.037 -0.188 0.000 0.782 244 A CB -0.425 18.485 19.000 -0.150 0.000 0.816 244 A HN 0.512 nan 8.150 nan 0.000 0.477 245 N N -0.438 118.153 118.700 -0.182 0.000 2.236 245 N HA 0.199 4.940 4.740 0.001 0.000 0.196 245 N C -0.212 175.225 175.510 -0.121 0.000 1.114 245 N CA 0.127 53.096 53.050 -0.136 0.000 0.859 245 N CB 0.255 38.658 38.487 -0.139 0.000 0.982 245 N HN 0.388 nan 8.380 nan 0.000 0.493 246 L N 1.984 123.110 121.223 -0.160 0.000 2.290 246 L HA 0.325 4.666 4.340 0.001 0.000 0.284 246 L C 1.899 178.734 176.870 -0.058 0.000 1.078 246 L CA -0.437 54.334 54.840 -0.115 0.000 0.815 246 L CB 1.139 43.085 42.059 -0.189 0.000 1.162 246 L HN 0.031 nan 8.230 nan 0.000 0.435 247 I N 1.106 121.680 120.570 0.007 0.000 2.454 247 I HA -0.126 4.045 4.170 0.001 0.000 0.254 247 I C 0.219 176.398 176.117 0.104 0.000 1.156 247 I CA 1.274 62.603 61.300 0.048 0.000 1.433 247 I CB -0.160 37.877 38.000 0.063 0.000 1.082 247 I HN 0.469 nan 8.210 nan 0.000 0.432 248 Y N 2.035 122.320 120.300 -0.025 0.000 2.433 248 Y HA 0.451 5.002 4.550 0.002 0.000 0.337 248 Y C -0.671 175.226 175.900 -0.006 0.000 1.026 248 Y CA -1.626 56.465 58.100 -0.015 0.000 1.037 248 Y CB 1.201 39.658 38.460 -0.005 0.000 1.245 248 Y HN -0.049 nan 8.280 nan 0.000 0.443 249 K N 8.616 128.528 120.400 -0.813 0.000 2.268 249 K HA 0.466 4.786 4.320 0.001 0.000 0.276 249 K C -2.894 173.274 176.600 -0.721 0.000 1.080 249 K CA -1.885 54.072 56.287 -0.550 0.000 0.910 249 K CB 0.758 33.038 32.500 -0.367 0.000 1.163 249 K HN 0.378 nan 8.250 nan 0.000 0.465 250 P HA 0.126 nan 4.420 nan 0.000 0.279 250 P C -0.395 176.933 177.300 0.048 0.000 1.252 250 P CA -0.507 62.623 63.100 0.051 0.000 0.811 250 P CB 0.710 32.588 31.700 0.297 0.000 1.035 251 L N 0.645 121.853 121.223 -0.025 0.000 2.456 251 L HA 0.168 4.509 4.340 0.001 0.000 0.272 251 L C 0.202 177.044 176.870 -0.046 0.000 1.189 251 L CA -0.267 54.487 54.840 -0.143 0.000 0.846 251 L CB 0.180 41.884 42.059 -0.592 0.000 1.111 251 L HN 0.081 nan 8.230 nan 0.000 0.475 252 V N 2.479 122.415 119.914 0.036 0.000 2.370 252 V HA 0.264 4.385 4.120 0.001 0.000 0.283 252 V C 0.120 176.251 176.094 0.061 0.000 1.023 252 V CA -0.256 62.034 62.300 -0.017 0.000 0.857 252 V CB 1.647 33.399 31.823 -0.119 0.000 0.985 252 V HN 0.807 nan 8.190 nan 0.000 0.443 253 S N 5.995 121.701 115.700 0.010 0.000 2.472 253 S HA 0.670 5.141 4.470 0.001 0.000 0.303 253 S C -0.726 173.852 174.600 -0.037 0.000 1.099 253 S CA -0.691 57.516 58.200 0.011 0.000 1.077 253 S CB 0.765 63.964 63.200 -0.003 0.000 1.031 253 S HN 0.468 nan 8.310 nan 0.000 0.487 254 I N 4.357 124.912 120.570 -0.026 0.000 2.330 254 I HA 0.299 4.470 4.170 0.001 0.000 0.289 254 I C -0.041 176.051 176.117 -0.042 0.000 1.001 254 I CA -0.580 60.700 61.300 -0.033 0.000 1.193 254 I CB 1.224 39.224 38.000 0.000 0.000 1.345 254 I HN 0.678 nan 8.210 nan 0.000 0.461 255 D N 5.383 125.748 120.400 -0.058 0.000 2.468 255 D HA 0.234 4.875 4.640 0.001 0.000 0.218 255 D C -0.346 175.932 176.300 -0.036 0.000 1.155 255 D CA 0.213 54.179 54.000 -0.057 0.000 0.924 255 D CB 0.540 41.299 40.800 -0.068 0.000 1.029 255 D HN 0.564 nan 8.370 nan 0.000 0.515 256 T N 1.776 116.317 114.554 -0.022 0.000 2.900 256 T HA 0.404 4.755 4.350 0.001 0.000 0.303 256 T C 0.653 175.353 174.700 0.001 0.000 1.142 256 T CA -0.743 61.357 62.100 -0.001 0.000 1.007 256 T CB 1.026 69.908 68.868 0.024 0.000 1.156 256 T HN 0.451 nan 8.240 nan 0.000 0.490 257 R N 1.776 122.278 120.500 0.004 0.000 2.365 257 R HA 0.417 4.757 4.340 0.001 0.000 0.223 257 R C 0.081 176.394 176.300 0.021 0.000 0.899 257 R CA -0.434 55.669 56.100 0.004 0.000 1.059 257 R CB 0.283 30.573 30.300 -0.017 0.000 1.086 257 R HN 0.248 nan 8.270 nan 0.000 0.522 258 K N 1.372 121.788 120.400 0.027 0.000 2.227 258 K HA 0.107 4.428 4.320 0.001 0.000 0.280 258 K C 0.436 177.057 176.600 0.034 0.000 1.041 258 K CA -0.420 55.884 56.287 0.029 0.000 0.905 258 K CB 1.954 34.473 32.500 0.032 0.000 1.068 258 K HN -0.064 nan 8.250 nan 0.000 0.470 259 L N 3.421 124.659 121.223 0.024 0.000 2.042 259 L HA -0.196 4.145 4.340 0.001 0.000 0.210 259 L C 1.427 178.308 176.870 0.018 0.000 1.076 259 L CA 2.068 56.919 54.840 0.020 0.000 0.749 259 L CB -0.112 41.949 42.059 0.002 0.000 0.893 259 L HN 0.623 nan 8.230 nan 0.000 0.432 260 E N -1.061 119.147 120.200 0.012 0.000 2.274 260 E HA -0.105 4.246 4.350 0.001 0.000 0.194 260 E C 2.125 178.730 176.600 0.008 0.000 0.996 260 E CA 1.105 57.504 56.400 -0.002 0.000 0.840 260 E CB -0.170 29.522 29.700 -0.012 0.000 0.772 260 E HN 0.392 nan 8.360 nan 0.000 0.491 261 V N 0.433 120.375 119.914 0.046 0.000 2.488 261 V HA -0.194 3.927 4.120 0.001 0.000 0.246 261 V C 1.997 178.156 176.094 0.107 0.000 1.046 261 V CA 1.442 63.804 62.300 0.104 0.000 1.053 261 V CB -0.367 31.527 31.823 0.119 0.000 0.679 261 V HN 0.306 nan 8.190 nan 0.000 0.458 262 M N -0.667 118.974 119.600 0.069 0.000 2.117 262 M HA -0.233 4.248 4.480 0.001 0.000 0.262 262 M C 2.326 178.642 176.300 0.028 0.000 1.065 262 M CA 1.879 57.211 55.300 0.053 0.000 1.114 262 M CB -0.556 32.076 32.600 0.053 0.000 1.361 262 M HN 0.293 nan 8.290 nan 0.000 0.408 263 Q N 0.684 120.500 119.800 0.027 0.000 2.030 263 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 263 Q C 2.073 178.075 176.000 0.003 0.000 0.986 263 Q CA 1.739 57.556 55.803 0.022 0.000 0.843 263 Q CB -0.117 28.627 28.738 0.010 0.000 0.904 263 Q HN 0.490 nan 8.270 nan 0.000 0.420 264 K N -0.025 120.362 120.400 -0.022 0.000 2.057 264 K HA -0.099 4.221 4.320 0.001 0.000 0.206 264 K C 2.022 178.694 176.600 0.121 0.000 1.050 264 K CA 0.885 57.128 56.287 -0.073 0.000 0.935 264 K CB 0.003 32.259 32.500 -0.406 0.000 0.715 264 K HN 0.183 nan 8.250 nan 0.000 0.439 265 I N 1.280 121.984 120.570 0.223 0.000 2.353 265 I HA -0.181 3.990 4.170 0.001 0.000 0.248 265 I C 2.178 178.380 176.117 0.142 0.000 1.119 265 I CA 1.267 62.744 61.300 0.296 0.000 1.417 265 I CB -0.645 37.519 38.000 0.273 0.000 1.078 265 I HN 0.165 nan 8.210 nan 0.000 0.421 266 L N 0.590 121.800 121.223 -0.022 0.000 2.141 266 L HA -0.138 4.203 4.340 0.001 0.000 0.209 266 L C 2.768 179.537 176.870 -0.168 0.000 1.094 266 L CA 1.055 55.748 54.840 -0.246 0.000 0.763 266 L CB -0.631 41.008 42.059 -0.701 0.000 0.908 266 L HN 0.156 nan 8.230 nan 0.000 0.437 267 A N -0.295 122.501 122.820 -0.040 0.000 1.933 267 A HA -0.165 4.156 4.320 0.001 0.000 0.218 267 A C 2.348 179.988 177.584 0.094 0.000 1.175 267 A CA 1.446 53.535 52.037 0.087 0.000 0.628 267 A CB -0.178 18.858 19.000 0.059 0.000 0.814 267 A HN 0.201 nan 8.150 nan 0.000 0.444 268 K N -1.564 118.813 120.400 -0.038 0.000 2.284 268 K HA 0.061 4.382 4.320 0.001 0.000 0.198 268 K C 0.432 176.759 176.600 -0.455 0.000 1.048 268 K CA 1.106 57.216 56.287 -0.295 0.000 0.987 268 K CB -0.005 32.178 32.500 -0.529 0.000 0.800 268 K HN 0.771 nan 8.250 nan 0.000 0.486 269 H N -1.475 117.633 119.070 0.064 0.000 3.052 269 H HA 0.067 4.623 4.556 0.001 0.000 0.257 269 H C 1.193 176.497 175.328 -0.040 0.000 1.193 269 H CA -0.017 56.032 56.048 0.001 0.000 1.072 269 H CB 0.292 30.081 29.762 0.046 0.000 1.685 269 H HN 0.299 nan 8.280 nan 0.000 0.630 270 H N 0.595 119.701 119.070 0.060 0.000 2.431 270 H HA -0.205 4.352 4.556 0.001 0.000 0.297 270 H C 1.611 177.037 175.328 0.163 0.000 1.115 270 H CA 1.755 57.827 56.048 0.041 0.000 1.277 270 H CB -0.103 29.639 29.762 -0.033 0.000 1.372 270 H HN 0.428 nan 8.280 nan 0.000 0.516 271 D N 2.018 122.158 120.400 -0.433 0.000 2.190 271 D HA -0.203 4.438 4.640 0.001 0.000 0.200 271 D C 1.720 178.011 176.300 -0.014 0.000 0.992 271 D CA 1.843 55.714 54.000 -0.216 0.000 0.854 271 D CB -0.429 40.209 40.800 -0.271 0.000 0.936 271 D HN 0.851 nan 8.370 nan 0.000 0.462 272 I N -2.985 117.649 120.570 0.107 0.000 4.025 272 I HA 0.335 4.506 4.170 0.001 0.000 0.336 272 I C 0.345 176.684 176.117 0.370 0.000 1.390 272 I CA -0.591 60.842 61.300 0.223 0.000 1.099 272 I CB 0.150 38.281 38.000 0.219 0.000 1.049 272 I HN -0.237 nan 8.210 nan 0.000 0.394 273 I N 0.506 121.294 120.570 0.363 0.000 2.392 273 I HA 0.178 4.349 4.170 0.001 0.000 0.295 273 I C 0.061 176.394 176.117 0.361 0.000 0.985 273 I CA -0.427 61.048 61.300 0.292 0.000 1.221 273 I CB 1.950 40.051 38.000 0.168 0.000 1.366 273 I HN 0.288 nan 8.210 nan 0.000 0.467 274 W N 6.797 128.064 121.300 -0.056 0.000 2.952 274 W HA 0.339 4.999 4.660 0.001 0.000 0.251 274 W C 0.101 176.521 176.519 -0.165 0.000 1.144 274 W CA 0.021 57.163 57.345 -0.339 0.000 1.551 274 W CB 0.716 29.842 29.460 -0.556 0.000 0.978 274 W HN 0.266 nan 8.180 nan 0.000 0.648 275 M N 1.419 121.025 119.600 0.011 0.000 2.484 275 M HA 0.378 4.859 4.480 0.001 0.000 0.289 275 M C -1.904 174.374 176.300 -0.038 0.000 1.206 275 M CA -0.745 54.479 55.300 -0.126 0.000 0.892 275 M CB 1.693 34.213 32.600 -0.132 0.000 1.712 275 M HN -0.313 nan 8.290 nan 0.000 0.462 276 I N 3.719 124.271 120.570 -0.029 0.000 2.362 276 I HA 0.313 4.484 4.170 0.001 0.000 0.289 276 I C -0.727 175.320 176.117 -0.116 0.000 0.994 276 I CA -0.419 60.884 61.300 0.005 0.000 1.158 276 I CB 1.018 39.106 38.000 0.147 0.000 1.315 276 I HN 0.689 nan 8.210 nan 0.000 0.451 277 N N 4.950 123.570 118.700 -0.133 0.000 2.609 277 N HA 0.161 4.902 4.740 0.001 0.000 0.234 277 N C -1.058 174.338 175.510 -0.189 0.000 1.001 277 N CA -0.258 52.671 53.050 -0.202 0.000 0.926 277 N CB 0.640 39.044 38.487 -0.139 0.000 1.130 277 N HN 0.425 nan 8.380 nan 0.000 0.510 278 D N 2.867 123.086 120.400 -0.302 0.000 2.427 278 D HA 0.079 4.720 4.640 0.001 0.000 0.226 278 D C 1.249 177.443 176.300 -0.177 0.000 1.076 278 D CA -0.740 53.148 54.000 -0.187 0.000 0.849 278 D CB 1.240 41.974 40.800 -0.109 0.000 1.052 278 D HN 0.275 nan 8.370 nan 0.000 0.515 279 V N 1.172 120.999 119.914 -0.146 0.000 3.305 279 V HA 0.102 4.223 4.120 0.001 0.000 0.269 279 V C 0.976 176.934 176.094 -0.226 0.000 1.157 279 V CA 0.651 62.817 62.300 -0.224 0.000 1.157 279 V CB -0.527 31.142 31.823 -0.257 0.000 0.772 279 V HN 0.400 nan 8.190 nan 0.000 0.498 280 E N -0.246 119.884 120.200 -0.116 0.000 3.466 280 E HA 0.346 4.697 4.350 0.001 0.000 0.265 280 E C 0.595 177.192 176.600 -0.006 0.000 1.291 280 E CA 0.466 56.825 56.400 -0.068 0.000 1.226 280 E CB 1.743 31.425 29.700 -0.029 0.000 1.404 280 E HN 0.496 nan 8.360 nan 0.000 0.697 281 C N -1.136 118.177 119.300 0.022 0.000 4.498 281 C HA 0.238 4.699 4.460 0.001 0.000 0.505 281 C C 0.574 175.583 174.990 0.031 0.000 1.553 281 C CA -0.401 58.647 59.018 0.050 0.000 2.306 281 C CB -0.646 27.144 27.740 0.084 0.000 3.422 281 C HN 0.696 nan 8.230 nan 0.000 0.612 282 N N 2.294 121.006 118.700 0.019 0.000 2.395 282 N HA -0.045 4.696 4.740 0.001 0.000 0.246 282 N C -0.206 175.305 175.510 0.002 0.000 1.246 282 N CA 1.114 54.169 53.050 0.008 0.000 0.879 282 N CB 0.043 38.533 38.487 0.004 0.000 1.098 282 N HN 0.588 nan 8.380 nan 0.000 0.444 283 N N 1.215 119.908 118.700 -0.011 0.000 2.741 283 N HA -0.232 4.509 4.740 0.001 0.000 0.250 283 N C 0.836 176.314 175.510 -0.054 0.000 1.115 283 N CA 0.649 53.682 53.050 -0.028 0.000 0.724 283 N CB -1.504 36.970 38.487 -0.021 0.000 1.090 283 N HN 0.705 nan 8.380 nan 0.000 0.558 284 I N 0.454 120.995 120.570 -0.048 0.000 2.423 284 I HA -0.253 3.918 4.170 0.001 0.000 0.254 284 I C 1.952 177.960 176.117 -0.181 0.000 1.151 284 I CA 1.609 62.860 61.300 -0.080 0.000 1.421 284 I CB 0.209 38.184 38.000 -0.041 0.000 1.079 284 I HN 0.129 nan 8.210 nan 0.000 0.431 285 E N 0.282 120.374 120.200 -0.179 0.000 2.028 285 E HA -0.234 4.117 4.350 0.001 0.000 0.191 285 E C 2.194 178.557 176.600 -0.396 0.000 0.988 285 E CA 1.382 57.579 56.400 -0.338 0.000 0.799 285 E CB -0.170 29.444 29.700 -0.143 0.000 0.755 285 E HN 0.531 nan 8.360 nan 0.000 0.447 286 Q N 0.190 119.865 119.800 -0.209 0.000 2.124 286 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 286 Q C 2.002 177.900 176.000 -0.170 0.000 0.977 286 Q CA 1.302 57.009 55.803 -0.161 0.000 0.850 286 Q CB -0.022 28.663 28.738 -0.087 0.000 0.901 286 Q HN 0.114 nan 8.270 nan 0.000 0.429 287 K N 0.428 120.724 120.400 -0.173 0.000 2.002 287 K HA -0.137 4.184 4.320 0.001 0.000 0.209 287 K C 2.186 178.613 176.600 -0.287 0.000 1.048 287 K CA 1.159 57.339 56.287 -0.178 0.000 0.930 287 K CB -0.313 32.098 32.500 -0.148 0.000 0.714 287 K HN 0.156 nan 8.250 nan 0.000 0.438 288 A N 1.652 124.245 122.820 -0.380 0.000 1.915 288 A HA -0.334 3.987 4.320 0.001 0.000 0.220 288 A C 2.113 179.536 177.584 -0.268 0.000 1.198 288 A CA 1.995 53.797 52.037 -0.391 0.000 0.647 288 A CB -0.746 17.971 19.000 -0.472 0.000 0.825 288 A HN 0.383 nan 8.150 nan 0.000 0.456 289 Q N -1.408 118.225 119.800 -0.278 0.000 2.119 289 Q HA -0.096 4.244 4.340 0.001 0.000 0.201 289 Q C 2.112 178.062 176.000 -0.085 0.000 0.972 289 Q CA 1.325 57.046 55.803 -0.137 0.000 0.847 289 Q CB -0.295 28.372 28.738 -0.118 0.000 0.903 289 Q HN 0.632 nan 8.270 nan 0.000 0.433 290 L N 0.504 121.684 121.223 -0.072 0.000 2.017 290 L HA -0.175 4.166 4.340 0.001 0.000 0.208 290 L C 1.883 178.812 176.870 0.100 0.000 1.073 290 L CA 1.590 56.450 54.840 0.033 0.000 0.745 290 L CB -0.342 41.745 42.059 0.047 0.000 0.894 290 L HN 0.183 nan 8.230 nan 0.000 0.432 291 I N 0.149 120.716 120.570 -0.005 0.000 2.315 291 I HA -0.177 3.994 4.170 0.001 0.000 0.248 291 I C 2.682 178.807 176.117 0.013 0.000 1.117 291 I CA 1.320 62.624 61.300 0.007 0.000 1.404 291 I CB -2.028 35.884 38.000 -0.148 0.000 1.071 291 I HN 0.370 nan 8.210 nan 0.000 0.419 292 A N 1.118 123.917 122.820 -0.035 0.000 1.877 292 A HA -0.247 4.074 4.320 0.001 0.000 0.216 292 A C 2.451 180.009 177.584 -0.043 0.000 1.186 292 A CA 1.934 53.953 52.037 -0.030 0.000 0.620 292 A CB -0.618 18.365 19.000 -0.028 0.000 0.822 292 A HN 0.438 nan 8.150 nan 0.000 0.443 293 K N -1.949 118.399 120.400 -0.087 0.000 2.152 293 K HA -0.190 4.130 4.320 0.001 0.000 0.206 293 K C 1.266 177.687 176.600 -0.297 0.000 1.048 293 K CA 1.832 57.988 56.287 -0.219 0.000 0.933 293 K CB -0.298 32.008 32.500 -0.324 0.000 0.721 293 K HN 0.524 nan 8.250 nan 0.000 0.447 294 Y N 0.512 120.789 120.300 -0.038 0.000 2.449 294 Y HA 0.158 4.709 4.550 0.001 0.000 0.254 294 Y C 0.219 176.130 175.900 0.018 0.000 1.140 294 Y CA 0.201 58.289 58.100 -0.019 0.000 1.272 294 Y CB 0.059 38.520 38.460 0.002 0.000 1.114 294 Y HN 0.236 nan 8.280 nan 0.000 0.525 295 N N 1.319 120.086 118.700 0.112 0.000 2.725 295 N HA -0.194 4.547 4.740 0.001 0.000 0.251 295 N C -0.877 174.668 175.510 0.058 0.000 1.031 295 N CA -0.050 53.041 53.050 0.069 0.000 0.720 295 N CB -0.347 38.182 38.487 0.070 0.000 0.930 295 N HN 0.077 nan 8.380 nan 0.000 0.543 296 K N 0.687 121.113 120.400 0.043 0.000 2.210 296 K HA 0.412 4.733 4.320 0.001 0.000 0.236 296 K C 0.310 176.831 176.600 -0.133 0.000 1.016 296 K CA -0.559 55.692 56.287 -0.060 0.000 0.913 296 K CB 0.671 33.172 32.500 0.000 0.000 1.141 296 K HN 0.063 nan 8.250 nan 0.000 0.462 297 K N 0.845 121.053 120.400 -0.320 0.000 2.154 297 K HA 0.240 4.561 4.320 0.001 0.000 0.264 297 K C -0.413 176.167 176.600 -0.032 0.000 1.008 297 K CA -0.310 55.822 56.287 -0.259 0.000 0.937 297 K CB 0.316 32.446 32.500 -0.617 0.000 1.002 297 K HN 0.519 nan 8.250 nan 0.000 0.469 298 Y N -0.386 119.871 120.300 -0.071 0.000 2.524 298 Y HA 0.349 4.900 4.550 0.002 0.000 0.347 298 Y C -1.192 174.729 175.900 0.036 0.000 1.005 298 Y CA -0.993 57.089 58.100 -0.031 0.000 1.025 298 Y CB 1.720 40.172 38.460 -0.015 0.000 1.275 298 Y HN 0.215 nan 8.280 nan 0.000 0.460 299 V N 6.784 126.414 119.914 -0.473 0.000 2.409 299 V HA 0.396 4.516 4.120 0.001 0.000 0.291 299 V C -0.276 175.624 176.094 -0.323 0.000 1.020 299 V CA -0.791 61.356 62.300 -0.256 0.000 0.848 299 V CB 1.372 33.057 31.823 -0.229 0.000 0.990 299 V HN 0.583 nan 8.190 nan 0.000 0.430 300 I N 6.152 126.711 120.570 -0.018 0.000 2.301 300 I HA 0.371 4.542 4.170 0.001 0.000 0.292 300 I C -0.538 175.646 176.117 0.112 0.000 1.046 300 I CA -0.164 61.175 61.300 0.065 0.000 1.282 300 I CB 0.949 39.044 38.000 0.157 0.000 1.409 300 I HN 0.417 nan 8.210 nan 0.000 0.484 301 I N 5.491 126.101 120.570 0.068 0.000 2.498 301 I HA 0.208 4.379 4.170 0.001 0.000 0.301 301 I C 0.500 176.738 176.117 0.201 0.000 0.984 301 I CA -0.384 60.967 61.300 0.085 0.000 1.204 301 I CB 0.915 38.877 38.000 -0.063 0.000 1.362 301 I HN 0.482 nan 8.210 nan 0.000 0.471 302 H N 6.149 125.263 119.070 0.073 0.000 2.741 302 H HA 0.317 4.874 4.556 0.001 0.000 0.282 302 H C -0.918 174.308 175.328 -0.169 0.000 1.122 302 H CA -0.642 55.363 56.048 -0.072 0.000 1.293 302 H CB 0.377 30.089 29.762 -0.083 0.000 1.415 302 H HN 0.756 nan 8.280 nan 0.000 0.472 320 D N 0.995 121.380 120.400 -0.025 0.000 2.333 320 D HA 0.080 4.720 4.640 0.001 0.000 0.208 320 D C 1.375 177.655 176.300 -0.033 0.000 0.984 320 D CA 0.883 54.867 54.000 -0.027 0.000 0.873 320 D CB 0.141 40.940 40.800 -0.001 0.000 0.935 320 D HN 0.458 nan 8.370 nan 0.000 0.521 321 N N -0.181 118.496 118.700 -0.037 0.000 2.368 321 N HA -0.061 4.680 4.740 0.001 0.000 0.176 321 N C 1.978 177.438 175.510 -0.083 0.000 1.021 321 N CA 0.388 53.423 53.050 -0.026 0.000 0.888 321 N CB 0.573 39.057 38.487 -0.004 0.000 0.995 321 N HN 0.072 nan 8.380 nan 0.000 0.437 322 V N 1.720 121.504 119.914 -0.216 0.000 2.287 322 V HA -0.280 3.841 4.120 0.001 0.000 0.248 322 V C 2.855 178.868 176.094 -0.136 0.000 1.053 322 V CA 1.514 63.605 62.300 -0.349 0.000 1.027 322 V CB -0.859 30.751 31.823 -0.354 0.000 0.646 322 V HN 0.469 nan 8.190 nan 0.000 0.447 323 C N 1.073 120.297 119.300 -0.127 0.000 2.413 323 C HA -0.221 4.240 4.460 0.001 0.000 0.277 323 C C 2.558 177.519 174.990 -0.049 0.000 1.228 323 C CA 1.741 60.691 59.018 -0.113 0.000 1.731 323 C CB -1.302 26.372 27.740 -0.111 0.000 2.042 323 C HN 0.661 nan 8.230 nan 0.000 0.468 324 D N -1.079 119.314 120.400 -0.012 0.000 2.123 324 D HA -0.148 4.493 4.640 0.001 0.000 0.196 324 D C 1.764 178.097 176.300 0.055 0.000 0.992 324 D CA 1.839 55.848 54.000 0.016 0.000 0.833 324 D CB -0.803 40.014 40.800 0.029 0.000 0.954 324 D HN 0.792 nan 8.370 nan 0.000 0.455 325 Y N 1.372 121.664 120.300 -0.013 0.000 2.089 325 Y HA -0.183 4.367 4.550 0.001 0.000 0.282 325 Y C 2.323 178.244 175.900 0.036 0.000 1.139 325 Y CA 1.492 59.618 58.100 0.043 0.000 1.123 325 Y CB -0.338 38.207 38.460 0.141 0.000 0.980 325 Y HN -0.137 nan 8.280 nan 0.000 0.493 326 I N 0.114 120.739 120.570 0.091 0.000 2.394 326 I HA -0.222 3.949 4.170 0.001 0.000 0.251 326 I C 2.291 178.364 176.117 -0.073 0.000 1.136 326 I CA 1.538 62.835 61.300 -0.005 0.000 1.425 326 I CB -0.352 37.683 38.000 0.057 0.000 1.079 326 I HN 0.274 nan 8.210 nan 0.000 0.425 327 E N 1.061 121.221 120.200 -0.067 0.000 2.051 327 E HA -0.279 4.071 4.350 0.001 0.000 0.192 327 E C 2.153 178.710 176.600 -0.072 0.000 0.991 327 E CA 1.544 57.904 56.400 -0.067 0.000 0.799 327 E CB -0.108 29.557 29.700 -0.058 0.000 0.748 327 E HN 0.379 nan 8.360 nan 0.000 0.449 328 Q N -0.327 119.418 119.800 -0.092 0.000 2.061 328 Q HA -0.190 4.151 4.340 0.001 0.000 0.204 328 Q C 1.891 177.825 176.000 -0.110 0.000 0.984 328 Q CA 1.632 57.377 55.803 -0.095 0.000 0.846 328 Q CB 0.035 28.711 28.738 -0.102 0.000 0.902 328 Q HN 0.077 nan 8.270 nan 0.000 0.421 329 K N 0.796 121.092 120.400 -0.173 0.000 2.032 329 K HA -0.190 4.131 4.320 0.001 0.000 0.209 329 K C 1.946 178.519 176.600 -0.045 0.000 1.048 329 K CA 1.128 57.337 56.287 -0.130 0.000 0.927 329 K CB -0.458 31.937 32.500 -0.175 0.000 0.712 329 K HN 0.195 nan 8.250 nan 0.000 0.441 330 K N 1.201 121.580 120.400 -0.036 0.000 2.020 330 K HA -0.209 4.111 4.320 0.001 0.000 0.212 330 K C 2.013 178.605 176.600 -0.012 0.000 1.050 330 K CA 1.508 57.791 56.287 -0.007 0.000 0.929 330 K CB 0.080 32.570 32.500 -0.017 0.000 0.714 330 K HN 0.103 nan 8.250 nan 0.000 0.443 331 Q N 0.708 120.491 119.800 -0.028 0.000 2.077 331 Q HA -0.171 4.170 4.340 0.001 0.000 0.206 331 Q C 2.330 178.318 176.000 -0.021 0.000 0.989 331 Q CA 1.563 57.348 55.803 -0.030 0.000 0.853 331 Q CB -0.494 28.221 28.738 -0.037 0.000 0.907 331 Q HN 0.485 nan 8.270 nan 0.000 0.418 332 I N 0.635 121.202 120.570 -0.006 0.000 2.118 332 I HA -0.320 3.851 4.170 0.001 0.000 0.241 332 I C 2.410 178.600 176.117 0.122 0.000 1.070 332 I CA 1.262 62.590 61.300 0.047 0.000 1.327 332 I CB -0.520 37.503 38.000 0.040 0.000 1.034 332 I HN 0.146 nan 8.210 nan 0.000 0.405 333 L N -0.302 120.956 121.223 0.059 0.000 2.046 333 L HA -0.232 4.109 4.340 0.001 0.000 0.208 333 L C 2.614 179.511 176.870 0.044 0.000 1.077 333 L CA 0.851 55.716 54.840 0.042 0.000 0.747 333 L CB -0.615 41.439 42.059 -0.009 0.000 0.896 333 L HN 0.250 nan 8.230 nan 0.000 0.432 334 L N 0.740 121.970 121.223 0.011 0.000 2.013 334 L HA -0.251 4.090 4.340 0.001 0.000 0.212 334 L C 2.665 179.510 176.870 -0.041 0.000 1.073 334 L CA 2.042 56.874 54.840 -0.013 0.000 0.753 334 L CB -1.013 41.032 42.059 -0.024 0.000 0.890 334 L HN 0.318 nan 8.230 nan 0.000 0.432 335 K N -1.155 119.196 120.400 -0.081 0.000 2.218 335 K HA -0.226 4.095 4.320 0.001 0.000 0.205 335 K C 1.508 177.940 176.600 -0.282 0.000 1.046 335 K CA 1.852 58.021 56.287 -0.197 0.000 0.933 335 K CB -0.304 32.026 32.500 -0.283 0.000 0.728 335 K HN 0.455 nan 8.250 nan 0.000 0.454 336 H N -1.008 118.029 119.070 -0.055 0.000 2.533 336 H HA 0.242 4.799 4.556 0.001 0.000 0.271 336 H C 0.613 175.906 175.328 -0.058 0.000 1.000 336 H CA 0.566 56.578 56.048 -0.060 0.000 1.149 336 H CB 0.822 30.539 29.762 -0.075 0.000 1.375 336 H HN 0.524 nan 8.280 nan 0.000 0.582 337 G N 1.382 110.188 108.800 0.009 0.000 2.149 337 G HA2 -0.246 3.715 3.960 0.001 0.000 0.235 337 G HA3 -0.246 3.715 3.960 0.001 0.000 0.235 337 G C 0.182 175.080 174.900 -0.003 0.000 1.018 337 G CA 0.268 45.365 45.100 -0.006 0.000 0.728 337 G HN 0.421 nan 8.290 nan 0.000 0.508 338 I N -0.711 119.859 120.570 -0.000 0.000 2.428 338 I HA 0.849 5.020 4.170 0.001 0.000 0.296 338 I C 0.406 176.518 176.117 -0.007 0.000 0.985 338 I CA -0.733 60.562 61.300 -0.009 0.000 1.260 338 I CB 1.095 39.081 38.000 -0.023 0.000 1.389 338 I HN 0.685 nan 8.210 nan 0.000 0.484 339 A N 5.580 128.396 122.820 -0.007 0.000 2.425 339 A HA 0.159 4.479 4.320 0.001 0.000 0.249 339 A C 1.096 178.674 177.584 -0.009 0.000 1.084 339 A CA -0.194 51.838 52.037 -0.008 0.000 0.781 339 A CB 0.285 19.282 19.000 -0.005 0.000 1.019 339 A HN 0.933 nan 8.150 nan 0.000 0.490 340 Q N 0.712 120.504 119.800 -0.013 0.000 2.170 340 Q HA -0.244 4.096 4.340 0.001 0.000 0.203 340 Q C 1.390 177.369 176.000 -0.034 0.000 0.976 340 Q CA 2.134 57.927 55.803 -0.017 0.000 0.858 340 Q CB -0.081 28.645 28.738 -0.020 0.000 0.907 340 Q HN 0.916 nan 8.270 nan 0.000 0.433 341 Q N -0.152 119.625 119.800 -0.039 0.000 2.500 341 Q HA -0.046 4.295 4.340 0.001 0.000 0.213 341 Q C 0.592 176.547 176.000 -0.076 0.000 0.974 341 Q CA 1.030 56.794 55.803 -0.065 0.000 0.918 341 Q CB -0.016 28.700 28.738 -0.036 0.000 0.980 341 Q HN 0.447 nan 8.270 nan 0.000 0.505 342 N N -0.198 118.479 118.700 -0.039 0.000 2.398 342 N HA 0.163 4.904 4.740 0.001 0.000 0.188 342 N C -0.546 174.994 175.510 0.049 0.000 1.122 342 N CA -0.055 52.981 53.050 -0.023 0.000 0.866 342 N CB 0.504 38.976 38.487 -0.025 0.000 0.970 342 N HN 0.195 nan 8.380 nan 0.000 0.462 343 I N 0.872 121.451 120.570 0.016 0.000 2.406 343 I HA 0.272 4.443 4.170 0.001 0.000 0.290 343 I C -1.069 175.067 176.117 0.033 0.000 0.999 343 I CA -0.749 60.614 61.300 0.105 0.000 1.124 343 I CB 1.034 39.087 38.000 0.090 0.000 1.289 343 I HN -0.122 nan 8.210 nan 0.000 0.441 344 Y N 5.429 125.753 120.300 0.040 0.000 2.487 344 Y HA 0.548 5.099 4.550 0.001 0.000 0.337 344 Y C -0.154 175.808 175.900 0.105 0.000 1.076 344 Y CA -0.883 57.241 58.100 0.041 0.000 1.115 344 Y CB 1.784 40.218 38.460 -0.044 0.000 1.235 344 Y HN 0.414 nan 8.280 nan 0.000 0.468 345 F N 0.055 120.090 119.950 0.140 0.000 2.507 345 F HA 0.737 5.264 4.527 0.001 0.000 0.327 345 F C -1.057 174.802 175.800 0.098 0.000 1.068 345 F CA -0.900 57.156 58.000 0.093 0.000 0.965 345 F CB 1.588 40.620 39.000 0.054 0.000 1.192 345 F HN 0.315 nan 8.300 nan 0.000 0.476 346 D N 3.988 124.430 120.400 0.071 0.000 2.620 346 D HA 0.293 4.933 4.640 0.001 0.000 0.252 346 D C 1.060 177.423 176.300 0.104 0.000 1.207 346 D CA -0.476 53.504 54.000 -0.035 0.000 0.884 346 D CB 1.562 42.361 40.800 -0.000 0.000 1.262 346 D HN 0.600 nan 8.370 nan 0.000 0.552 347 I N 2.420 122.998 120.570 0.015 0.000 2.236 347 I HA -0.127 4.043 4.170 0.001 0.000 0.249 347 I C 1.299 177.322 176.117 -0.157 0.000 1.102 347 I CA 1.688 62.920 61.300 -0.112 0.000 1.365 347 I CB -1.022 36.678 38.000 -0.500 0.000 1.051 347 I HN 0.802 nan 8.210 nan 0.000 0.420 348 G N 1.435 110.129 108.800 -0.177 0.000 2.851 348 G HA2 -0.241 3.720 3.960 0.001 0.000 0.272 348 G HA3 -0.241 3.720 3.960 0.001 0.000 0.272 348 G C -0.345 174.561 174.900 0.010 0.000 1.100 348 G CA -0.643 44.525 45.100 0.114 0.000 1.197 348 G HN 0.170 nan 8.290 nan 0.000 0.561 349 F N 0.556 120.604 119.950 0.164 0.000 2.438 349 F HA 0.486 5.014 4.527 0.002 0.000 0.356 349 F C 1.575 177.254 175.800 -0.203 0.000 1.099 349 F CA 1.150 59.167 58.000 0.028 0.000 1.185 349 F CB 1.710 40.733 39.000 0.038 0.000 1.115 349 F HN 1.032 nan 8.300 nan 0.000 0.526 350 G N 2.574 111.315 108.800 -0.097 0.000 2.211 350 G HA2 -0.245 3.716 3.960 0.001 0.000 0.201 350 G HA3 -0.245 3.716 3.960 0.001 0.000 0.201 350 G C -0.241 174.335 174.900 -0.539 0.000 0.997 350 G CA -0.748 44.120 45.100 -0.387 0.000 0.652 350 G HN 0.491 nan 8.290 nan 0.000 0.500 351 F N 1.578 121.538 119.950 0.017 0.000 2.310 351 F HA 0.529 5.057 4.527 0.002 0.000 0.365 351 F C 1.282 177.051 175.800 -0.051 0.000 1.080 351 F CA -0.000 57.978 58.000 -0.036 0.000 1.187 351 F CB 1.383 40.334 39.000 -0.082 0.000 1.465 351 F HN 0.658 nan 8.300 nan 0.000 0.496 352 G N 2.244 111.098 108.800 0.089 0.000 2.333 352 G HA2 -0.259 3.702 3.960 0.001 0.000 0.296 352 G HA3 -0.259 3.702 3.960 0.001 0.000 0.296 352 G C -0.370 174.567 174.900 0.061 0.000 1.059 352 G CA -0.012 45.120 45.100 0.053 0.000 1.050 352 G HN 0.576 nan 8.290 nan 0.000 0.508 356 D N 1.105 121.552 120.400 0.078 0.000 2.197 356 D HA 0.049 4.690 4.640 0.001 0.000 0.212 356 D C 2.026 178.416 176.300 0.149 0.000 0.963 356 D CA 2.101 56.150 54.000 0.080 0.000 0.864 356 D CB 0.168 40.990 40.800 0.037 0.000 1.009 356 D HN 0.690 nan 8.370 nan 0.000 0.479 357 T N -1.788 112.867 114.554 0.170 0.000 2.995 357 T HA 0.098 4.449 4.350 0.001 0.000 0.269 357 T C 2.004 176.872 174.700 0.280 0.000 1.091 357 T CA 0.896 63.169 62.100 0.289 0.000 1.128 357 T CB -0.299 68.714 68.868 0.241 0.000 0.891 357 T HN 0.094 nan 8.240 nan 0.000 0.492 358 A N 2.563 125.530 122.820 0.245 0.000 1.898 358 A HA -0.035 4.285 4.320 0.001 0.000 0.216 358 A C 2.566 180.348 177.584 0.329 0.000 1.181 358 A CA 1.059 53.310 52.037 0.358 0.000 0.620 358 A CB -0.538 18.670 19.000 0.347 0.000 0.819 358 A HN 0.517 nan 8.150 nan 0.000 0.442 359 R N -2.188 118.427 120.500 0.192 0.000 2.189 359 R HA -0.092 4.249 4.340 0.001 0.000 0.223 359 R C 1.839 178.246 176.300 0.178 0.000 1.092 359 R CA 1.448 57.623 56.100 0.126 0.000 0.989 359 R CB -0.354 29.998 30.300 0.086 0.000 0.876 359 R HN 0.786 nan 8.270 nan 0.000 0.457 360 Y N 0.444 120.800 120.300 0.093 0.000 2.482 360 Y HA 0.163 4.713 4.550 0.001 0.000 0.270 360 Y C 1.445 177.399 175.900 0.089 0.000 1.152 360 Y CA 0.265 58.409 58.100 0.073 0.000 1.292 360 Y CB 0.315 38.807 38.460 0.052 0.000 1.070 360 Y HN -0.115 nan 8.280 nan 0.000 0.528 361 L N -0.746 120.444 121.223 -0.055 0.000 2.354 361 L HA -0.002 4.339 4.340 0.001 0.000 0.212 361 L C 1.894 178.792 176.870 0.047 0.000 1.091 361 L CA 0.021 54.795 54.840 -0.111 0.000 0.828 361 L CB -0.210 41.849 42.059 -0.001 0.000 0.973 361 L HN 0.245 nan 8.230 nan 0.000 0.461 362 L N 0.440 121.763 121.223 0.167 0.000 2.044 362 L HA -0.159 4.182 4.340 0.001 0.000 0.205 362 L C 2.420 179.321 176.870 0.052 0.000 1.075 362 L CA 1.797 56.733 54.840 0.160 0.000 0.747 362 L CB -0.536 41.568 42.059 0.074 0.000 0.903 362 L HN 0.262 nan 8.230 nan 0.000 0.435 363 E N -0.781 119.433 120.200 0.023 0.000 2.331 363 E HA -0.204 4.147 4.350 0.001 0.000 0.199 363 E C 0.734 177.326 176.600 -0.015 0.000 1.008 363 E CA 0.968 57.375 56.400 0.012 0.000 0.843 363 E CB -0.007 29.718 29.700 0.043 0.000 0.761 363 E HN 0.630 nan 8.360 nan 0.000 0.507 364 N N 0.395 119.057 118.700 -0.064 0.000 2.238 364 N HA 0.011 4.752 4.740 0.001 0.000 0.222 364 N C 1.221 176.723 175.510 -0.012 0.000 1.133 364 N CA -0.096 52.907 53.050 -0.078 0.000 0.854 364 N CB 0.453 38.815 38.487 -0.208 0.000 1.041 364 N HN 0.159 nan 8.380 nan 0.000 0.510 365 I N 1.673 122.275 120.570 0.054 0.000 2.163 365 I HA -0.270 3.901 4.170 0.001 0.000 0.243 365 I C 1.928 178.141 176.117 0.159 0.000 1.085 365 I CA 1.288 62.679 61.300 0.152 0.000 1.347 365 I CB 0.011 38.104 38.000 0.155 0.000 1.044 365 I HN 0.039 nan 8.210 nan 0.000 0.408 366 I N 0.373 120.996 120.570 0.089 0.000 2.113 366 I HA -0.281 3.890 4.170 0.001 0.000 0.238 366 I C 2.522 178.663 176.117 0.040 0.000 1.070 366 I CA 1.795 63.139 61.300 0.072 0.000 1.332 366 I CB -1.794 36.232 38.000 0.043 0.000 1.044 366 I HN 0.343 nan 8.210 nan 0.000 0.402 367 E N 1.908 122.114 120.200 0.010 0.000 2.086 367 E HA -0.241 4.110 4.350 0.001 0.000 0.200 367 E C 2.117 178.689 176.600 -0.047 0.000 1.012 367 E CA 1.820 58.209 56.400 -0.018 0.000 0.812 367 E CB -0.546 29.138 29.700 -0.028 0.000 0.743 367 E HN 0.532 nan 8.360 nan 0.000 0.453 368 I N 0.453 120.986 120.570 -0.061 0.000 2.208 368 I HA -0.296 3.875 4.170 0.001 0.000 0.245 368 I C 2.691 178.665 176.117 -0.240 0.000 1.097 368 I CA 1.718 62.919 61.300 -0.166 0.000 1.363 368 I CB -0.478 37.422 38.000 -0.167 0.000 1.051 368 I HN 0.203 nan 8.210 nan 0.000 0.413 369 K N 1.236 121.615 120.400 -0.036 0.000 2.152 369 K HA -0.182 4.139 4.320 0.001 0.000 0.206 369 K C 2.269 178.852 176.600 -0.029 0.000 1.048 369 K CA 1.330 57.654 56.287 0.062 0.000 0.933 369 K CB 0.044 32.683 32.500 0.232 0.000 0.721 369 K HN 0.282 nan 8.250 nan 0.000 0.447 370 R N -0.248 120.230 120.500 -0.036 0.000 2.062 370 R HA 0.042 4.383 4.340 0.001 0.000 0.226 370 R C 2.262 178.526 176.300 -0.061 0.000 1.125 370 R CA 0.686 56.765 56.100 -0.035 0.000 0.966 370 R CB -0.130 30.158 30.300 -0.021 0.000 0.861 370 R HN 0.076 nan 8.270 nan 0.000 0.433 371 R N 0.951 121.401 120.500 -0.085 0.000 2.152 371 R HA -0.047 4.294 4.340 0.001 0.000 0.232 371 R C 2.094 178.329 176.300 -0.108 0.000 1.117 371 R CA 0.991 57.037 56.100 -0.089 0.000 0.981 371 R CB -0.505 29.738 30.300 -0.095 0.000 0.870 371 R HN 0.296 nan 8.270 nan 0.000 0.451 372 L N 0.140 121.272 121.223 -0.153 0.000 2.307 372 L HA 0.069 4.410 4.340 0.001 0.000 0.211 372 L C 0.234 177.050 176.870 -0.090 0.000 1.099 372 L CA 0.141 54.887 54.840 -0.156 0.000 0.816 372 L CB -0.179 41.708 42.059 -0.287 0.000 0.952 372 L HN 0.154 nan 8.230 nan 0.000 0.455 373 E N 1.157 121.316 120.200 -0.068 0.000 2.230 373 E HA -0.202 4.149 4.350 0.001 0.000 0.206 373 E C -0.782 175.801 176.600 -0.028 0.000 1.309 373 E CA 0.171 56.548 56.400 -0.038 0.000 0.697 373 E CB -1.194 28.485 29.700 -0.035 0.000 1.146 373 E HN 0.342 nan 8.360 nan 0.000 0.363 374 L N 0.505 121.730 121.223 0.003 0.000 2.431 374 L HA 0.397 4.738 4.340 0.001 0.000 0.266 374 L C 0.405 177.354 176.870 0.132 0.000 0.978 374 L CA -0.966 53.905 54.840 0.052 0.000 0.822 374 L CB 1.888 44.020 42.059 0.122 0.000 1.310 374 L HN -0.036 nan 8.230 nan 0.000 0.409 375 K N 1.414 121.757 120.400 -0.095 0.000 2.336 375 K HA 0.428 4.749 4.320 0.001 0.000 0.262 375 K C -0.150 176.413 176.600 -0.060 0.000 0.992 375 K CA -0.130 56.047 56.287 -0.183 0.000 0.927 375 K CB 0.858 32.984 32.500 -0.623 0.000 0.956 375 K HN 0.638 nan 8.250 nan 0.000 0.495 376 A N 3.182 125.969 122.820 -0.056 0.000 2.287 376 A HA 0.425 4.746 4.320 0.001 0.000 0.317 376 A C -1.044 176.463 177.584 -0.129 0.000 1.220 376 A CA -0.689 51.131 52.037 -0.361 0.000 0.835 376 A CB 0.484 19.304 19.000 -0.301 0.000 1.180 376 A HN 0.692 nan 8.150 nan 0.000 0.500 377 L N 3.887 124.987 121.223 -0.204 0.000 2.313 377 L HA 0.706 5.047 4.340 0.001 0.000 0.283 377 L C -1.321 175.497 176.870 -0.087 0.000 1.013 377 L CA -0.685 54.111 54.840 -0.073 0.000 0.816 377 L CB 1.616 43.638 42.059 -0.062 0.000 1.236 377 L HN 0.427 nan 8.230 nan 0.000 0.419 378 V N 4.149 124.075 119.914 0.021 0.000 2.378 378 V HA 0.476 4.596 4.120 0.001 0.000 0.288 378 V C 0.554 176.792 176.094 0.240 0.000 1.016 378 V CA -0.474 61.916 62.300 0.149 0.000 0.840 378 V CB 1.438 33.343 31.823 0.137 0.000 0.994 378 V HN 0.885 nan 8.190 nan 0.000 0.431 379 G N 3.438 112.406 108.800 0.280 0.000 2.741 379 G HA2 0.405 4.366 3.960 0.001 0.000 0.336 379 G HA3 0.405 4.366 3.960 0.001 0.000 0.336 379 G C 0.477 175.539 174.900 0.271 0.000 1.022 379 G CA -0.232 45.000 45.100 0.219 0.000 1.193 379 G HN 0.957 nan 8.290 nan 0.000 0.455 380 H N 0.010 119.105 119.070 0.041 0.000 2.827 380 H HA 0.205 4.761 4.556 0.001 0.000 0.269 380 H C 0.803 176.119 175.328 -0.019 0.000 1.031 380 H CA -0.088 55.925 56.048 -0.060 0.000 1.202 380 H CB -0.012 29.641 29.762 -0.181 0.000 1.511 380 H HN 0.332 nan 8.280 nan 0.000 0.517 381 S N 1.728 117.165 115.700 -0.439 0.000 2.544 381 S HA 0.042 4.513 4.470 0.001 0.000 0.290 381 S C 0.648 175.250 174.600 0.003 0.000 1.276 381 S CA -0.048 58.013 58.200 -0.231 0.000 1.075 381 S CB -0.199 62.972 63.200 -0.050 0.000 0.849 381 S HN 0.644 nan 8.310 nan 0.000 0.494 382 R N 1.148 121.615 120.500 -0.054 0.000 3.863 382 R HA -0.124 4.217 4.340 0.001 0.000 0.313 382 R C -0.763 175.500 176.300 -0.062 0.000 1.202 382 R CA 0.869 56.914 56.100 -0.091 0.000 0.852 382 R CB -1.286 28.870 30.300 -0.240 0.000 1.292 382 R HN 0.500 nan 8.270 nan 0.000 0.519 383 K N 0.458 120.834 120.400 -0.040 0.000 2.299 383 K HA 0.187 4.508 4.320 0.001 0.000 0.268 383 K C -1.872 174.705 176.600 -0.038 0.000 1.075 383 K CA -2.019 54.248 56.287 -0.035 0.000 0.936 383 K CB 1.459 33.952 32.500 -0.011 0.000 1.228 383 K HN -0.140 nan 8.250 nan 0.000 0.454 384 P HA -0.190 nan 4.420 nan 0.000 0.218 384 P C 1.338 178.624 177.300 -0.024 0.000 1.148 384 P CA 1.152 64.233 63.100 -0.031 0.000 0.822 384 P CB 0.242 31.924 31.700 -0.030 0.000 0.784 385 S N -0.801 114.891 115.700 -0.014 0.000 2.440 385 S HA -0.141 4.330 4.470 0.001 0.000 0.240 385 S C 1.635 176.231 174.600 -0.006 0.000 1.014 385 S CA 1.763 59.968 58.200 0.008 0.000 0.980 385 S CB -1.635 61.589 63.200 0.040 0.000 0.775 385 S HN 0.186 nan 8.310 nan 0.000 0.499 386 V N -3.259 116.616 119.914 -0.064 0.000 3.604 386 V HA 0.463 4.584 4.120 0.001 0.000 0.277 386 V C 1.501 177.532 176.094 -0.106 0.000 1.399 386 V CA -0.123 62.089 62.300 -0.148 0.000 1.034 386 V CB -0.302 31.271 31.823 -0.417 0.000 0.824 386 V HN 0.303 nan 8.190 nan 0.000 0.439 387 L N 2.148 123.334 121.223 -0.061 0.000 2.509 387 L HA 0.599 4.940 4.340 0.001 0.000 0.222 387 L C 1.795 178.648 176.870 -0.028 0.000 1.123 387 L CA 1.099 55.916 54.840 -0.037 0.000 0.856 387 L CB -0.864 41.180 42.059 -0.025 0.000 0.985 387 L HN 0.624 nan 8.230 nan 0.000 0.456 388 G N 0.281 109.066 108.800 -0.025 0.000 2.333 388 G HA2 -0.235 3.726 3.960 0.001 0.000 0.296 388 G HA3 -0.235 3.726 3.960 0.001 0.000 0.296 388 G C -0.311 174.580 174.900 -0.015 0.000 1.059 388 G CA 0.386 45.477 45.100 -0.015 0.000 1.050 388 G HN 0.184 nan 8.290 nan 0.000 0.508 393 S N 0.239 115.920 115.700 -0.032 0.000 2.745 393 S HA 0.526 4.997 4.470 0.001 0.000 0.306 393 S C 0.139 174.718 174.600 -0.036 0.000 1.137 393 S CA -1.157 57.025 58.200 -0.030 0.000 0.900 393 S CB 1.746 64.930 63.200 -0.028 0.000 1.176 393 S HN 0.347 nan 8.310 nan 0.000 0.520 394 N N 0.048 118.729 118.700 -0.033 0.000 2.479 394 N HA 0.047 4.788 4.740 0.001 0.000 0.257 394 N C 0.649 176.132 175.510 -0.045 0.000 1.232 394 N CA -0.515 52.514 53.050 -0.036 0.000 0.920 394 N CB 0.621 39.091 38.487 -0.028 0.000 1.105 394 N HN 0.429 nan 8.380 nan 0.000 0.444 395 L N 2.934 124.127 121.223 -0.051 0.000 1.990 395 L HA -0.232 4.109 4.340 0.001 0.000 0.213 395 L C 2.697 179.533 176.870 -0.056 0.000 1.072 395 L CA 2.427 57.227 54.840 -0.066 0.000 0.755 395 L CB -1.160 40.859 42.059 -0.066 0.000 0.889 395 L HN 0.869 nan 8.230 nan 0.000 0.432 396 A N -1.918 120.878 122.820 -0.041 0.000 1.903 396 A HA -0.301 4.020 4.320 0.001 0.000 0.219 396 A C 2.313 179.878 177.584 -0.030 0.000 1.191 396 A CA 2.755 54.773 52.037 -0.032 0.000 0.638 396 A CB -1.319 17.666 19.000 -0.025 0.000 0.823 396 A HN 0.527 nan 8.150 nan 0.000 0.451 397 T N 0.186 114.722 114.554 -0.030 0.000 2.737 397 T HA -0.068 4.283 4.350 0.001 0.000 0.265 397 T C 1.840 176.522 174.700 -0.030 0.000 1.038 397 T CA 1.353 63.438 62.100 -0.026 0.000 1.144 397 T CB -0.414 68.440 68.868 -0.024 0.000 0.866 397 T HN 0.354 nan 8.240 nan 0.000 0.434 398 L N 0.932 122.130 121.223 -0.041 0.000 2.051 398 L HA -0.205 4.135 4.340 0.001 0.000 0.214 398 L C 2.459 179.302 176.870 -0.046 0.000 1.076 398 L CA 1.396 56.207 54.840 -0.050 0.000 0.758 398 L CB -0.522 41.492 42.059 -0.075 0.000 0.890 398 L HN 0.215 nan 8.230 nan 0.000 0.433 399 D N -0.817 119.555 120.400 -0.047 0.000 2.123 399 D HA -0.159 4.482 4.640 0.001 0.000 0.200 399 D C 2.232 178.522 176.300 -0.017 0.000 0.976 399 D CA 0.851 54.830 54.000 -0.035 0.000 0.831 399 D CB -0.102 40.677 40.800 -0.035 0.000 0.974 399 D HN 0.164 nan 8.370 nan 0.000 0.469 400 R N 0.461 120.951 120.500 -0.016 0.000 2.120 400 R HA -0.081 4.260 4.340 0.001 0.000 0.234 400 R C 1.969 178.268 176.300 -0.002 0.000 1.123 400 R CA 1.307 57.402 56.100 -0.008 0.000 0.975 400 R CB -0.001 30.293 30.300 -0.011 0.000 0.866 400 R HN 0.099 nan 8.270 nan 0.000 0.446 401 A N -0.488 122.329 122.820 -0.005 0.000 1.897 401 A HA -0.070 4.251 4.320 0.001 0.000 0.215 401 A C 2.105 179.705 177.584 0.026 0.000 1.181 401 A CA 1.660 53.698 52.037 0.002 0.000 0.620 401 A CB -0.678 18.318 19.000 -0.007 0.000 0.821 401 A HN 0.362 nan 8.150 nan 0.000 0.443 402 T N -0.475 114.092 114.554 0.022 0.000 2.652 402 T HA -0.201 4.150 4.350 0.001 0.000 0.267 402 T C 2.084 176.839 174.700 0.092 0.000 1.039 402 T CA 1.782 63.911 62.100 0.050 0.000 1.153 402 T CB -0.266 68.578 68.868 -0.041 0.000 0.863 402 T HN 0.545 nan 8.240 nan 0.000 0.428 403 R N 0.826 121.351 120.500 0.043 0.000 2.103 403 R HA -0.139 4.201 4.340 0.001 0.000 0.242 403 R C 2.363 178.688 176.300 0.042 0.000 1.142 403 R CA 1.734 57.859 56.100 0.041 0.000 0.960 403 R CB -0.094 30.215 30.300 0.016 0.000 0.858 403 R HN 0.532 nan 8.270 nan 0.000 0.439 404 E N -0.048 120.170 120.200 0.030 0.000 2.047 404 E HA -0.196 4.154 4.350 0.001 0.000 0.191 404 E C 1.948 178.552 176.600 0.006 0.000 0.987 404 E CA 1.067 57.475 56.400 0.014 0.000 0.799 404 E CB -0.118 29.584 29.700 0.004 0.000 0.752 404 E HN 0.213 nan 8.360 nan 0.000 0.449 405 L N 1.109 122.340 121.223 0.013 0.000 2.093 405 L HA -0.119 4.222 4.340 0.001 0.000 0.208 405 L C 2.128 178.945 176.870 -0.088 0.000 1.085 405 L CA 1.581 56.390 54.840 -0.053 0.000 0.755 405 L CB -0.366 41.647 42.059 -0.077 0.000 0.904 405 L HN -0.091 nan 8.230 nan 0.000 0.435 406 S N -0.341 115.390 115.700 0.051 0.000 2.359 406 S HA -0.239 4.231 4.470 0.001 0.000 0.224 406 S C 2.052 176.654 174.600 0.004 0.000 1.035 406 S CA 1.480 59.718 58.200 0.064 0.000 1.018 406 S CB -0.371 62.927 63.200 0.163 0.000 0.876 406 S HN 0.371 nan 8.310 nan 0.000 0.448 407 R N 1.407 121.911 120.500 0.007 0.000 2.103 407 R HA -0.045 4.295 4.340 0.001 0.000 0.242 407 R C 2.247 178.538 176.300 -0.016 0.000 1.142 407 R CA 1.613 57.711 56.100 -0.003 0.000 0.960 407 R CB -0.363 29.937 30.300 -0.001 0.000 0.858 407 R HN 0.335 nan 8.270 nan 0.000 0.439 408 K N -0.038 120.343 120.400 -0.031 0.000 2.097 408 K HA -0.010 4.310 4.320 0.001 0.000 0.205 408 K C 1.754 178.327 176.600 -0.046 0.000 1.050 408 K CA 1.083 57.347 56.287 -0.038 0.000 0.938 408 K CB -0.049 32.421 32.500 -0.050 0.000 0.718 408 K HN 0.107 nan 8.250 nan 0.000 0.442 409 L N 0.454 121.633 121.223 -0.072 0.000 2.109 409 L HA -0.121 4.220 4.340 0.001 0.000 0.207 409 L C 2.144 178.995 176.870 -0.031 0.000 1.086 409 L CA 1.291 56.088 54.840 -0.073 0.000 0.760 409 L CB -0.407 41.571 42.059 -0.135 0.000 0.910 409 L HN 0.278 nan 8.230 nan 0.000 0.437 410 E N 0.272 120.460 120.200 -0.019 0.000 2.171 410 E HA -0.243 4.107 4.350 0.001 0.000 0.197 410 E C 2.120 178.720 176.600 -0.000 0.000 0.997 410 E CA 1.152 57.550 56.400 -0.003 0.000 0.810 410 E CB 0.055 29.756 29.700 0.001 0.000 0.738 410 E HN 0.393 nan 8.360 nan 0.000 0.467 411 K N 0.170 120.567 120.400 -0.005 0.000 2.167 411 K HA -0.007 4.314 4.320 0.001 0.000 0.203 411 K C 1.846 178.447 176.600 0.002 0.000 1.052 411 K CA 0.577 56.863 56.287 -0.001 0.000 0.956 411 K CB 0.114 32.612 32.500 -0.003 0.000 0.735 411 K HN 0.184 nan 8.250 nan 0.000 0.451 412 L N 1.047 122.269 121.223 -0.002 0.000 2.610 412 L HA -0.038 4.303 4.340 0.001 0.000 0.232 412 L C -0.400 176.477 176.870 0.012 0.000 1.149 412 L CA 0.294 55.136 54.840 0.005 0.000 0.872 412 L CB -0.443 41.616 42.059 0.001 0.000 0.992 412 L HN 0.251 nan 8.230 nan 0.000 0.447 413 D N 0.150 120.557 120.400 0.012 0.000 2.837 413 D HA -0.188 4.453 4.640 0.001 0.000 0.230 413 D C 0.171 176.485 176.300 0.022 0.000 1.152 413 D CA 0.606 54.617 54.000 0.019 0.000 0.736 413 D CB -1.059 39.754 40.800 0.022 0.000 1.084 413 D HN 0.127 nan 8.370 nan 0.000 0.429 414 I N 1.288 121.867 120.570 0.015 0.000 2.775 414 I HA -0.107 4.064 4.170 0.001 0.000 0.290 414 I C 1.676 177.813 176.117 0.033 0.000 1.203 414 I CA 0.465 61.775 61.300 0.017 0.000 1.433 414 I CB 0.465 38.463 38.000 -0.004 0.000 1.354 414 I HN -0.064 nan 8.210 nan 0.000 0.579 415 D N 5.250 125.683 120.400 0.056 0.000 2.103 415 D HA 0.048 4.688 4.640 0.001 0.000 0.199 415 D C 0.122 176.488 176.300 0.110 0.000 0.978 415 D CA 1.488 55.551 54.000 0.106 0.000 0.829 415 D CB 0.064 40.972 40.800 0.182 0.000 0.981 415 D HN 0.376 nan 8.370 nan 0.000 0.464 416 I N 0.946 121.574 120.570 0.097 0.000 2.498 416 I HA 0.314 4.485 4.170 0.001 0.000 0.290 416 I C -0.869 175.268 176.117 0.034 0.000 1.032 416 I CA -1.005 60.320 61.300 0.043 0.000 1.073 416 I CB 2.542 40.534 38.000 -0.013 0.000 1.251 416 I HN -0.071 nan 8.210 nan 0.000 0.426 417 I N 2.621 123.216 120.570 0.042 0.000 2.406 417 I HA 0.587 4.758 4.170 0.001 0.000 0.290 417 I C -0.519 175.627 176.117 0.049 0.000 0.999 417 I CA -0.720 60.638 61.300 0.097 0.000 1.124 417 I CB 1.724 39.827 38.000 0.172 0.000 1.289 417 I HN 0.644 nan 8.210 nan 0.000 0.441 418 R N 6.820 127.341 120.500 0.035 0.000 2.230 418 R HA 0.599 4.939 4.340 0.001 0.000 0.337 418 R C -0.960 175.247 176.300 -0.154 0.000 1.063 418 R CA -0.424 55.639 56.100 -0.061 0.000 0.935 418 R CB 1.007 31.273 30.300 -0.056 0.000 1.121 418 R HN 0.768 nan 8.270 nan 0.000 0.486 419 V N 0.694 120.509 119.914 -0.165 0.000 2.919 419 V HA 0.373 4.494 4.120 0.001 0.000 0.316 419 V C 0.847 176.813 176.094 -0.214 0.000 1.077 419 V CA -0.715 61.469 62.300 -0.194 0.000 0.977 419 V CB 1.951 33.707 31.823 -0.112 0.000 1.039 419 V HN 0.744 nan 8.190 nan 0.000 0.441 420 H N 0.352 119.358 119.070 -0.106 0.000 2.403 420 H HA 0.276 4.833 4.556 0.001 0.000 0.298 420 H C -0.038 175.257 175.328 -0.056 0.000 1.059 420 H CA 0.858 56.862 56.048 -0.075 0.000 1.363 420 H CB 0.518 30.235 29.762 -0.074 0.000 1.410 420 H HN 0.387 nan 8.280 nan 0.000 0.528 421 K N 0.891 121.328 120.400 0.062 0.000 2.427 421 K HA 0.375 4.696 4.320 0.001 0.000 0.252 421 K C -0.199 176.402 176.600 0.001 0.000 0.931 421 K CA -0.533 55.767 56.287 0.022 0.000 0.793 421 K CB 2.137 34.649 32.500 0.020 0.000 1.211 421 K HN -0.040 nan 8.250 nan 0.000 0.426 422 I N 0.000 120.567 120.570 -0.005 0.000 2.984 422 I HA 0.000 4.171 4.170 0.001 0.000 0.288 422 I CA 0.000 61.292 61.300 -0.012 0.000 1.566 422 I CB 0.000 37.987 38.000 -0.022 0.000 1.214 422 I HN 0.000 nan 8.210 nan 0.000 0.494