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 1afw_1_A DATA FIRST_RESID 25 DATA SEQUENCE KNSLLEKRPE DVVIVAANRS AIGKGFKGAF KDVNTDYLLY NFLNEFIGRF DATA SEQUENCE PEPLRADLNL IEEVACGNVL NVGAGATEHR AACLASGIPY STPFVALNRQ DATA SEQUENCE CSSGLTAVND IANKIKVGQI DIGLALGVES MTNNYKNVNP LGMISSEELQ DATA SEQUENCE KNREAKKCLI PMGITNENVA ANFKISRKDQ DEFAANSYQK AYKAKNEGLF DATA SEQUENCE EDEILPIKLP DGSICQSDEG PRPNVTAESL SSIRPAFIXX XGTTTAGNAS DATA SEQUENCE QVSDGVAGVL LARRSVANQL NLPVLGRYID FQTVGVPPEI MGVGPAYAIP DATA SEQUENCE KVLEATGLQV QDIDIFEINE AFAAQALYCI HKLGIDLNKV NPRGGAIALG DATA SEQUENCE HPLGCTGARQ VATILRELKK DQIGVVSMCI GTGMGAAAIF IKE 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 25 K HA 0.000 nan 4.320 nan 0.000 0.191 25 K C 0.000 176.590 176.600 -0.016 0.000 0.988 25 K CA 0.000 56.275 56.287 -0.020 0.000 0.838 25 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 26 N N 1.622 120.315 118.700 -0.012 0.000 2.137 26 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 26 N C 1.441 176.945 175.510 -0.009 0.000 1.017 26 N CA 2.403 55.447 53.050 -0.010 0.000 0.859 26 N CB -0.823 37.659 38.487 -0.008 0.000 1.002 26 N HN 0.174 nan 8.380 nan 0.000 0.428 27 S N -0.123 115.571 115.700 -0.010 0.000 2.402 27 S HA 0.112 4.582 4.470 -0.000 0.000 0.229 27 S C 1.869 176.463 174.600 -0.010 0.000 1.021 27 S CA 0.074 58.269 58.200 -0.008 0.000 0.974 27 S CB -0.321 62.874 63.200 -0.008 0.000 0.800 27 S HN 0.337 nan 8.310 nan 0.000 0.484 28 L N 0.644 121.858 121.223 -0.016 0.000 2.046 28 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 28 L C 2.317 179.179 176.870 -0.013 0.000 1.077 28 L CA 1.262 56.090 54.840 -0.020 0.000 0.747 28 L CB -0.521 41.520 42.059 -0.030 0.000 0.896 28 L HN 0.378 nan 8.230 nan 0.000 0.432 29 L N -0.352 120.864 121.223 -0.012 0.000 2.353 29 L HA -0.140 4.200 4.340 -0.000 0.000 0.220 29 L C 1.077 177.946 176.870 -0.002 0.000 1.133 29 L CA 0.622 55.458 54.840 -0.007 0.000 0.798 29 L CB -0.200 41.855 42.059 -0.008 0.000 0.922 29 L HN 0.243 nan 8.230 nan 0.000 0.445 30 E N 0.975 121.174 120.200 -0.002 0.000 2.373 30 E HA 0.074 4.424 4.350 -0.000 0.000 0.267 30 E C -0.261 176.342 176.600 0.005 0.000 1.032 30 E CA -0.046 56.355 56.400 0.001 0.000 0.889 30 E CB 0.566 30.266 29.700 0.000 0.000 0.984 30 E HN 0.172 nan 8.360 nan 0.000 0.425 31 K N 3.138 123.542 120.400 0.007 0.000 2.227 31 K HA 0.331 4.651 4.320 -0.000 0.000 0.280 31 K C -0.019 176.586 176.600 0.009 0.000 1.041 31 K CA -0.255 56.038 56.287 0.010 0.000 0.905 31 K CB 1.171 33.677 32.500 0.010 0.000 1.068 31 K HN 0.237 nan 8.250 nan 0.000 0.470 32 R N 2.289 122.796 120.500 0.012 0.000 2.832 32 R HA 0.240 4.580 4.340 -0.000 0.000 0.271 32 R C -1.770 174.537 176.300 0.011 0.000 0.996 32 R CA -2.017 54.089 56.100 0.010 0.000 0.977 32 R CB 1.284 31.591 30.300 0.012 0.000 1.168 32 R HN 0.320 nan 8.270 nan 0.000 0.482 33 P HA -0.154 nan 4.420 nan 0.000 0.223 33 P C 0.401 177.705 177.300 0.006 0.000 1.151 33 P CA 1.138 64.241 63.100 0.004 0.000 0.787 33 P CB 0.280 31.980 31.700 0.001 0.000 0.788 34 E N -0.320 119.886 120.200 0.010 0.000 2.502 34 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 34 E C -0.247 176.367 176.600 0.023 0.000 1.062 34 E CA 0.164 56.572 56.400 0.012 0.000 0.867 34 E CB -0.684 29.024 29.700 0.012 0.000 0.888 34 E HN 0.147 nan 8.360 nan 0.000 0.510 35 D N 1.319 121.737 120.400 0.029 0.000 2.390 35 D HA 0.059 4.699 4.640 -0.000 0.000 0.236 35 D C -0.333 175.998 176.300 0.052 0.000 1.189 35 D CA -0.014 54.016 54.000 0.050 0.000 0.887 35 D CB 1.395 42.224 40.800 0.049 0.000 1.198 35 D HN -0.145 nan 8.370 nan 0.000 0.444 36 V N 2.233 122.202 119.914 0.092 0.000 2.328 36 V HA 0.228 4.348 4.120 -0.000 0.000 0.278 36 V C 0.269 176.424 176.094 0.101 0.000 1.021 36 V CA -0.655 61.683 62.300 0.064 0.000 0.838 36 V CB 1.106 32.950 31.823 0.035 0.000 0.999 36 V HN 0.366 nan 8.190 nan 0.000 0.447 37 V N 3.784 123.732 119.914 0.057 0.000 2.713 37 V HA 0.649 4.769 4.120 -0.000 0.000 0.307 37 V C -0.166 175.959 176.094 0.053 0.000 1.052 37 V CA -0.863 61.478 62.300 0.068 0.000 0.967 37 V CB 1.906 33.749 31.823 0.035 0.000 1.019 37 V HN 0.598 nan 8.190 nan 0.000 0.459 38 I N 2.949 123.562 120.570 0.072 0.000 2.304 38 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 38 I C 0.845 176.969 176.117 0.011 0.000 1.018 38 I CA -0.283 61.047 61.300 0.049 0.000 1.260 38 I CB 1.746 39.786 38.000 0.066 0.000 1.390 38 I HN 0.505 nan 8.210 nan 0.000 0.475 39 V N 5.795 125.690 119.914 -0.032 0.000 2.825 39 V HA 0.253 4.373 4.120 -0.000 0.000 0.246 39 V C 0.773 176.837 176.094 -0.050 0.000 1.068 39 V CA 0.906 63.162 62.300 -0.073 0.000 1.088 39 V CB 0.068 31.791 31.823 -0.168 0.000 0.733 39 V HN 0.840 nan 8.190 nan 0.000 0.468 40 A N -0.784 122.034 122.820 -0.003 0.000 2.604 40 A HA 0.888 5.208 4.320 -0.000 0.000 0.295 40 A C -1.182 176.595 177.584 0.321 0.000 1.067 40 A CA 0.111 52.231 52.037 0.138 0.000 0.683 40 A CB 1.630 20.670 19.000 0.067 0.000 1.281 40 A HN 0.817 nan 8.150 nan 0.000 0.407 41 A N 1.636 124.676 122.820 0.368 0.000 2.480 41 A HA 0.762 5.082 4.320 -0.000 0.000 0.289 41 A C -1.027 176.662 177.584 0.176 0.000 1.044 41 A CA -0.388 51.808 52.037 0.266 0.000 0.761 41 A CB 0.916 19.973 19.000 0.093 0.000 1.289 41 A HN 0.940 nan 8.150 nan 0.000 0.401 42 N N -0.032 118.676 118.700 0.013 0.000 2.647 42 N HA 0.817 5.557 4.740 -0.000 0.000 0.266 42 N C -0.756 174.744 175.510 -0.016 0.000 1.373 42 N CA -0.910 52.143 53.050 0.004 0.000 0.807 42 N CB 1.861 40.355 38.487 0.011 0.000 1.513 42 N HN 0.819 nan 8.380 nan 0.000 0.505 43 R N -1.338 119.191 120.500 0.048 0.000 2.799 43 R HA 0.746 5.086 4.340 -0.000 0.000 0.270 43 R C -1.013 175.322 176.300 0.057 0.000 1.010 43 R CA -0.933 55.114 56.100 -0.089 0.000 0.916 43 R CB 1.035 31.252 30.300 -0.137 0.000 1.228 43 R HN 0.579 nan 8.270 nan 0.000 0.469 44 S N 0.560 116.237 115.700 -0.037 0.000 2.713 44 S HA 0.727 5.197 4.470 -0.000 0.000 0.277 44 S C 0.421 175.071 174.600 0.084 0.000 1.168 44 S CA -0.525 57.746 58.200 0.117 0.000 0.994 44 S CB 1.236 64.481 63.200 0.076 0.000 1.054 44 S HN 0.840 nan 8.310 nan 0.000 0.555 45 A N 0.243 123.155 122.820 0.154 0.000 2.313 45 A HA 0.593 4.913 4.320 -0.000 0.000 0.261 45 A C 0.054 177.719 177.584 0.135 0.000 1.090 45 A CA -0.772 51.306 52.037 0.068 0.000 0.807 45 A CB -0.367 18.654 19.000 0.036 0.000 1.055 45 A HN 0.787 nan 8.150 nan 0.000 0.492 46 I N 1.439 122.028 120.570 0.032 0.000 2.312 46 I HA 0.390 4.560 4.170 -0.000 0.000 0.290 46 I C 0.924 177.041 176.117 -0.000 0.000 1.008 46 I CA -0.212 61.123 61.300 0.059 0.000 1.226 46 I CB 1.256 39.251 38.000 -0.007 0.000 1.371 46 I HN 0.688 nan 8.210 nan 0.000 0.468 47 G N 4.910 113.720 108.800 0.016 0.000 2.425 47 G HA2 0.336 4.296 3.960 -0.000 0.000 0.302 47 G HA3 0.336 4.296 3.960 -0.000 0.000 0.302 47 G C -0.555 174.332 174.900 -0.021 0.000 1.159 47 G CA -0.596 44.413 45.100 -0.152 0.000 0.865 47 G HN 0.543 nan 8.290 nan 0.000 0.515 48 K N 0.572 120.951 120.400 -0.034 0.000 2.322 48 K HA 0.391 4.711 4.320 -0.000 0.000 0.283 48 K C 1.004 177.617 176.600 0.020 0.000 1.042 48 K CA -0.067 56.231 56.287 0.019 0.000 0.958 48 K CB 0.539 33.057 32.500 0.030 0.000 0.984 48 K HN 0.539 nan 8.250 nan 0.000 0.473 49 G N 2.244 111.071 108.800 0.044 0.000 2.491 49 G HA2 0.128 4.088 3.960 -0.000 0.000 0.238 49 G HA3 0.128 4.088 3.960 -0.000 0.000 0.238 49 G C 0.006 174.954 174.900 0.079 0.000 1.277 49 G CA -0.104 44.969 45.100 -0.046 0.000 0.851 49 G HN 0.844 nan 8.290 nan 0.000 0.573 50 F N -1.304 118.635 119.950 -0.019 0.000 2.568 50 F HA -0.342 4.185 4.527 0.000 0.000 0.650 50 F C 2.081 177.865 175.800 -0.026 0.000 0.492 50 F CA 2.388 60.365 58.000 -0.038 0.000 0.801 50 F CB -0.952 37.996 39.000 -0.086 0.000 1.661 50 F HN 0.612 nan 8.300 nan 0.000 0.261 51 K N 0.505 120.973 120.400 0.115 0.000 2.438 51 K HA 0.569 4.889 4.320 -0.000 0.000 0.206 51 K C 1.066 177.672 176.600 0.011 0.000 1.081 51 K CA 0.493 56.814 56.287 0.056 0.000 1.053 51 K CB 0.726 33.257 32.500 0.053 0.000 0.908 51 K HN 0.315 nan 8.250 nan 0.000 0.556 52 G N 0.798 109.594 108.800 -0.006 0.000 2.525 52 G HA2 0.379 4.339 3.960 -0.000 0.000 0.287 52 G HA3 0.379 4.339 3.960 -0.000 0.000 0.287 52 G C 0.986 175.822 174.900 -0.106 0.000 1.350 52 G CA -0.243 44.821 45.100 -0.059 0.000 1.039 52 G HN 0.111 nan 8.290 nan 0.000 0.513 53 A N -0.815 121.865 122.820 -0.233 0.000 1.940 53 A HA -0.115 4.205 4.320 -0.000 0.000 0.221 53 A C 1.673 179.089 177.584 -0.281 0.000 1.190 53 A CA 1.892 53.698 52.037 -0.386 0.000 0.647 53 A CB -0.527 18.043 19.000 -0.718 0.000 0.821 53 A HN 0.458 nan 8.150 nan 0.000 0.457 54 F N -0.022 119.908 119.950 -0.033 0.000 2.641 54 F HA 0.173 4.700 4.527 0.000 0.000 0.302 54 F C 1.768 177.519 175.800 -0.081 0.000 1.098 54 F CA 0.049 58.020 58.000 -0.049 0.000 1.318 54 F CB -0.251 38.731 39.000 -0.031 0.000 1.035 54 F HN 0.427 nan 8.300 nan 0.000 0.551 55 K N -0.423 120.011 120.400 0.057 0.000 2.218 55 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 55 K C 0.219 176.810 176.600 -0.014 0.000 1.046 55 K CA 1.958 58.242 56.287 -0.004 0.000 0.933 55 K CB -0.191 32.302 32.500 -0.010 0.000 0.728 55 K HN 0.102 nan 8.250 nan 0.000 0.454 56 D N 1.519 121.908 120.400 -0.019 0.000 2.463 56 D HA 0.072 4.712 4.640 -0.000 0.000 0.224 56 D C -0.104 176.133 176.300 -0.106 0.000 1.174 56 D CA 0.069 54.038 54.000 -0.051 0.000 0.829 56 D CB 0.887 41.653 40.800 -0.057 0.000 0.993 56 D HN 0.227 nan 8.370 nan 0.000 0.497 57 V N -2.576 117.279 119.914 -0.099 0.000 3.040 57 V HA 0.606 4.726 4.120 -0.000 0.000 0.312 57 V C -0.396 175.669 176.094 -0.048 0.000 1.115 57 V CA -0.979 61.218 62.300 -0.171 0.000 0.998 57 V CB 2.831 34.383 31.823 -0.451 0.000 1.042 57 V HN -0.226 nan 8.190 nan 0.000 0.433 58 N N 0.596 119.301 118.700 0.009 0.000 2.563 58 N HA 0.403 5.143 4.740 -0.000 0.000 0.288 58 N C 1.416 176.969 175.510 0.072 0.000 1.246 58 N CA 0.283 53.356 53.050 0.040 0.000 0.946 58 N CB 2.100 40.617 38.487 0.050 0.000 1.213 58 N HN 1.043 nan 8.380 nan 0.000 0.578 59 T N -1.770 112.833 114.554 0.081 0.000 2.759 59 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 59 T C 1.135 175.906 174.700 0.118 0.000 1.042 59 T CA 1.783 63.935 62.100 0.087 0.000 1.140 59 T CB -0.413 68.577 68.868 0.203 0.000 0.864 59 T HN 0.655 nan 8.240 nan 0.000 0.455 60 D N 0.322 120.834 120.400 0.187 0.000 2.117 60 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 60 D C 2.009 178.405 176.300 0.159 0.000 0.987 60 D CA 1.240 55.347 54.000 0.178 0.000 0.829 60 D CB -1.078 39.794 40.800 0.119 0.000 0.961 60 D HN 0.543 nan 8.370 nan 0.000 0.460 61 Y N 1.252 121.584 120.300 0.053 0.000 2.200 61 Y HA -0.052 4.498 4.550 0.000 0.000 0.290 61 Y C 2.414 178.339 175.900 0.041 0.000 1.137 61 Y CA 1.204 59.352 58.100 0.082 0.000 1.163 61 Y CB -0.264 38.223 38.460 0.045 0.000 0.988 61 Y HN -0.105 nan 8.280 nan 0.000 0.518 62 L N -0.969 120.329 121.223 0.126 0.000 1.994 62 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 62 L C 2.384 179.228 176.870 -0.044 0.000 1.071 62 L CA 1.237 56.037 54.840 -0.067 0.000 0.745 62 L CB -0.819 41.100 42.059 -0.232 0.000 0.892 62 L HN 0.288 nan 8.230 nan 0.000 0.431 63 L N -1.007 120.203 121.223 -0.022 0.000 2.046 63 L HA -0.268 4.072 4.340 -0.000 0.000 0.208 63 L C 2.514 179.458 176.870 0.123 0.000 1.077 63 L CA 1.730 56.591 54.840 0.034 0.000 0.747 63 L CB -0.758 41.276 42.059 -0.041 0.000 0.896 63 L HN 0.198 nan 8.230 nan 0.000 0.432 64 Y N 0.463 120.725 120.300 -0.064 0.000 2.128 64 Y HA -0.268 4.282 4.550 -0.000 0.000 0.284 64 Y C 2.459 178.273 175.900 -0.143 0.000 1.154 64 Y CA 2.120 60.161 58.100 -0.100 0.000 1.149 64 Y CB -0.614 37.751 38.460 -0.158 0.000 0.976 64 Y HN 0.347 nan 8.280 nan 0.000 0.505 65 N N -0.408 118.078 118.700 -0.356 0.000 2.188 65 N HA -0.201 4.539 4.740 -0.000 0.000 0.184 65 N C 1.909 177.273 175.510 -0.244 0.000 1.018 65 N CA 1.519 54.294 53.050 -0.458 0.000 0.858 65 N CB -0.700 37.523 38.487 -0.440 0.000 0.989 65 N HN 0.458 nan 8.380 nan 0.000 0.426 66 F N 2.137 121.955 119.950 -0.221 0.000 2.113 66 F HA -0.043 4.484 4.527 -0.000 0.000 0.297 66 F C 2.168 177.897 175.800 -0.118 0.000 1.103 66 F CA 1.024 58.926 58.000 -0.162 0.000 1.248 66 F CB -0.426 38.473 39.000 -0.168 0.000 0.999 66 F HN -0.108 nan 8.300 nan 0.000 0.475 67 L N 0.359 121.489 121.223 -0.154 0.000 2.131 67 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 67 L C 2.190 178.874 176.870 -0.311 0.000 1.092 67 L CA 1.040 55.771 54.840 -0.182 0.000 0.759 67 L CB -0.901 41.170 42.059 0.019 0.000 0.903 67 L HN 0.205 nan 8.230 nan 0.000 0.435 68 N N -0.218 118.278 118.700 -0.341 0.000 2.084 68 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 68 N C 1.824 177.134 175.510 -0.333 0.000 1.030 68 N CA 1.159 53.997 53.050 -0.354 0.000 0.849 68 N CB -0.108 38.102 38.487 -0.462 0.000 1.012 68 N HN 0.301 nan 8.380 nan 0.000 0.423 69 E N 0.152 120.143 120.200 -0.348 0.000 2.028 69 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 69 E C 1.819 178.223 176.600 -0.327 0.000 0.984 69 E CA 0.328 56.550 56.400 -0.296 0.000 0.800 69 E CB -0.597 28.944 29.700 -0.266 0.000 0.758 69 E HN 0.229 nan 8.360 nan 0.000 0.448 70 F N 1.869 121.367 119.950 -0.753 0.000 2.065 70 F HA -0.169 4.358 4.527 0.000 0.000 0.298 70 F C 2.297 177.501 175.800 -0.994 0.000 1.112 70 F CA 0.994 58.536 58.000 -0.762 0.000 1.212 70 F CB -0.672 37.799 39.000 -0.882 0.000 0.975 70 F HN -0.071 nan 8.300 nan 0.000 0.476 71 I N -0.405 119.519 120.570 -1.076 0.000 2.361 71 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 71 I C 2.647 178.298 176.117 -0.777 0.000 1.133 71 I CA 1.243 61.641 61.300 -1.504 0.000 1.413 71 I CB -1.209 36.345 38.000 -0.744 0.000 1.073 71 I HN 0.234 nan 8.210 nan 0.000 0.424 72 G N 1.003 109.531 108.800 -0.454 0.000 2.402 72 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 72 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 72 G C 1.634 176.435 174.900 -0.164 0.000 1.162 72 G CA 0.466 45.422 45.100 -0.239 0.000 0.777 72 G HN 0.370 nan 8.290 nan 0.000 0.539 73 R N -0.592 119.812 120.500 -0.159 0.000 2.404 73 R HA 0.210 4.550 4.340 -0.000 0.000 0.236 73 R C -0.272 176.075 176.300 0.078 0.000 1.044 73 R CA -0.368 55.718 56.100 -0.023 0.000 1.133 73 R CB -0.492 29.828 30.300 0.034 0.000 1.142 73 R HN 0.090 nan 8.270 nan 0.000 0.512 74 F N 1.179 121.022 119.950 -0.178 0.000 2.380 74 F HA 0.452 4.979 4.527 -0.000 0.000 0.319 74 F C -1.766 173.957 175.800 -0.128 0.000 1.113 74 F CA -3.475 54.397 58.000 -0.214 0.000 1.056 74 F CB 0.586 39.432 39.000 -0.256 0.000 1.289 74 F HN -0.022 nan 8.300 nan 0.000 0.515 75 P HA 0.112 nan 4.420 nan 0.000 0.276 75 P C 0.313 177.618 177.300 0.009 0.000 1.235 75 P CA -0.019 63.082 63.100 0.002 0.000 0.772 75 P CB 0.965 32.634 31.700 -0.052 0.000 0.871 76 E N 4.870 125.073 120.200 0.005 0.000 2.149 76 E HA -0.220 4.130 4.350 -0.000 0.000 0.215 76 E C -0.725 175.872 176.600 -0.005 0.000 1.055 76 E CA 2.473 58.873 56.400 0.000 0.000 0.870 76 E CB -2.165 27.532 29.700 -0.005 0.000 0.764 76 E HN 0.527 nan 8.360 nan 0.000 0.463 77 P HA -0.118 nan 4.420 nan 0.000 0.221 77 P C 1.245 178.531 177.300 -0.022 0.000 1.145 77 P CA 0.807 63.895 63.100 -0.021 0.000 0.795 77 P CB 0.112 31.794 31.700 -0.029 0.000 0.775 78 L N -0.769 120.442 121.223 -0.019 0.000 2.145 78 L HA 0.135 4.475 4.340 -0.000 0.000 0.201 78 L C 2.476 179.374 176.870 0.047 0.000 1.075 78 L CA 1.396 56.229 54.840 -0.012 0.000 0.773 78 L CB -0.986 41.029 42.059 -0.074 0.000 0.936 78 L HN -0.240 nan 8.230 nan 0.000 0.451 79 R N -0.515 120.027 120.500 0.070 0.000 2.127 79 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 79 R C 1.875 178.183 176.300 0.013 0.000 1.134 79 R CA 1.273 57.403 56.100 0.049 0.000 0.975 79 R CB -0.520 29.790 30.300 0.018 0.000 0.865 79 R HN 0.370 nan 8.270 nan 0.000 0.447 80 A N 0.198 123.021 122.820 0.005 0.000 2.238 80 A HA -0.042 4.278 4.320 -0.000 0.000 0.208 80 A C 0.212 177.790 177.584 -0.010 0.000 1.177 80 A CA 0.522 52.555 52.037 -0.006 0.000 0.804 80 A CB 0.337 19.332 19.000 -0.009 0.000 0.823 80 A HN 0.141 nan 8.150 nan 0.000 0.482 81 D N -0.839 119.557 120.400 -0.007 0.000 3.361 81 D HA 0.141 4.781 4.640 -0.000 0.000 0.246 81 D C 0.544 176.837 176.300 -0.012 0.000 1.395 81 D CA -0.273 53.717 54.000 -0.016 0.000 0.839 81 D CB -0.505 40.282 40.800 -0.022 0.000 1.469 81 D HN 0.123 nan 8.370 nan 0.000 0.636 82 L N 0.502 121.724 121.223 -0.001 0.000 2.349 82 L HA -0.052 4.287 4.340 -0.000 0.000 0.220 82 L C 1.937 178.801 176.870 -0.010 0.000 1.130 82 L CA 0.588 55.438 54.840 0.016 0.000 0.791 82 L CB -0.204 41.873 42.059 0.030 0.000 0.918 82 L HN 0.248 nan 8.230 nan 0.000 0.444 83 N N 0.279 118.958 118.700 -0.035 0.000 2.520 83 N HA -0.100 4.640 4.740 -0.000 0.000 0.185 83 N C 1.730 177.216 175.510 -0.039 0.000 1.068 83 N CA 0.931 53.949 53.050 -0.052 0.000 0.911 83 N CB 0.041 38.490 38.487 -0.064 0.000 0.961 83 N HN 0.445 nan 8.380 nan 0.000 0.446 84 L N 0.603 121.805 121.223 -0.035 0.000 2.376 84 L HA 0.078 4.418 4.340 -0.000 0.000 0.219 84 L C 0.649 177.494 176.870 -0.042 0.000 1.133 84 L CA 0.290 55.106 54.840 -0.040 0.000 0.816 84 L CB -0.065 41.965 42.059 -0.049 0.000 0.933 84 L HN 0.012 nan 8.230 nan 0.000 0.449 85 I N 0.327 120.878 120.570 -0.031 0.000 2.452 85 I HA -0.036 4.134 4.170 -0.000 0.000 0.287 85 I C 0.940 177.049 176.117 -0.014 0.000 1.079 85 I CA 0.396 61.681 61.300 -0.024 0.000 1.387 85 I CB 0.862 38.867 38.000 0.009 0.000 1.404 85 I HN 0.119 nan 8.210 nan 0.000 0.522 86 E N 4.236 124.423 120.200 -0.021 0.000 2.481 86 E HA 0.114 4.464 4.350 -0.000 0.000 0.198 86 E C -0.196 176.400 176.600 -0.006 0.000 1.027 86 E CA 0.059 56.451 56.400 -0.014 0.000 0.900 86 E CB 0.525 30.211 29.700 -0.022 0.000 0.993 86 E HN 0.525 nan 8.360 nan 0.000 0.482 87 E N -0.278 119.919 120.200 -0.005 0.000 2.431 87 E HA 0.198 4.548 4.350 -0.000 0.000 0.287 87 E C -2.050 174.544 176.600 -0.011 0.000 1.032 87 E CA -0.487 55.906 56.400 -0.011 0.000 0.839 87 E CB 1.547 31.223 29.700 -0.041 0.000 1.218 87 E HN -0.124 nan 8.360 nan 0.000 0.424 88 V N 2.437 122.335 119.914 -0.026 0.000 2.444 88 V HA 0.885 5.005 4.120 -0.000 0.000 0.294 88 V C -0.491 175.438 176.094 -0.274 0.000 1.022 88 V CA -0.215 62.056 62.300 -0.048 0.000 0.850 88 V CB 1.378 33.258 31.823 0.096 0.000 0.992 88 V HN 0.800 nan 8.190 nan 0.000 0.426 89 A N 3.845 126.528 122.820 -0.230 0.000 2.303 89 A HA 0.705 5.025 4.320 -0.000 0.000 0.320 89 A C -0.575 176.856 177.584 -0.255 0.000 1.192 89 A CA -0.411 51.444 52.037 -0.302 0.000 0.821 89 A CB 1.210 20.098 19.000 -0.187 0.000 1.188 89 A HN 0.922 nan 8.150 nan 0.000 0.492 90 C N 3.074 122.184 119.300 -0.316 0.000 2.346 90 C HA 0.732 5.192 4.460 -0.000 0.000 0.326 90 C C 0.826 175.800 174.990 -0.026 0.000 1.224 90 C CA 0.016 58.967 59.018 -0.111 0.000 1.408 90 C CB -0.125 27.625 27.740 0.018 0.000 2.089 90 C HN 1.144 nan 8.230 nan 0.000 0.456 91 G N 4.664 113.451 108.800 -0.021 0.000 2.432 91 G HA2 0.432 4.392 3.960 -0.000 0.000 0.257 91 G HA3 0.432 4.392 3.960 -0.000 0.000 0.257 91 G C -0.623 174.300 174.900 0.039 0.000 1.238 91 G CA 0.033 45.137 45.100 0.007 0.000 0.838 91 G HN 0.963 nan 8.290 nan 0.000 0.547 92 N N 1.211 119.949 118.700 0.065 0.000 2.516 92 N HA 0.117 4.857 4.740 -0.000 0.000 0.268 92 N C -0.041 175.504 175.510 0.059 0.000 1.096 92 N CA -0.631 52.470 53.050 0.085 0.000 0.954 92 N CB 2.127 40.737 38.487 0.204 0.000 1.676 92 N HN 0.117 nan 8.380 nan 0.000 0.490 93 V N 3.001 122.935 119.914 0.034 0.000 2.908 93 V HA 0.121 4.241 4.120 -0.000 0.000 0.240 93 V C 1.929 178.031 176.094 0.013 0.000 1.117 93 V CA 0.614 62.925 62.300 0.018 0.000 1.133 93 V CB 0.000 31.819 31.823 -0.006 0.000 0.857 93 V HN 0.617 nan 8.190 nan 0.000 0.478 94 L N 0.040 121.271 121.223 0.013 0.000 2.529 94 L HA 0.209 4.549 4.340 -0.000 0.000 0.223 94 L C 0.482 177.363 176.870 0.020 0.000 1.113 94 L CA 0.071 54.916 54.840 0.007 0.000 0.861 94 L CB -0.346 41.714 42.059 0.001 0.000 1.012 94 L HN 0.325 nan 8.230 nan 0.000 0.461 95 N N -0.142 118.576 118.700 0.031 0.000 2.467 95 N HA 0.159 4.899 4.740 -0.000 0.000 0.262 95 N C -0.260 175.250 175.510 0.000 0.000 1.234 95 N CA -0.347 52.712 53.050 0.015 0.000 0.952 95 N CB 0.860 39.348 38.487 0.001 0.000 1.158 95 N HN -0.271 nan 8.380 nan 0.000 0.463 96 V N 0.777 120.684 119.914 -0.011 0.000 2.673 96 V HA 0.198 4.318 4.120 -0.000 0.000 0.303 96 V C 1.514 177.597 176.094 -0.019 0.000 1.046 96 V CA 1.001 63.294 62.300 -0.011 0.000 1.126 96 V CB 0.274 32.089 31.823 -0.013 0.000 0.934 96 V HN 0.954 nan 8.190 nan 0.000 0.487 97 G N 3.920 112.717 108.800 -0.005 0.000 2.187 97 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.261 97 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.261 97 G C 0.878 175.786 174.900 0.013 0.000 1.000 97 G CA 0.581 45.682 45.100 0.001 0.000 0.718 97 G HN 2.532 nan 8.290 nan 0.000 0.519 98 A N -1.816 121.014 122.820 0.017 0.000 2.847 98 A HA 0.363 4.683 4.320 -0.000 0.000 0.263 98 A C 2.426 180.037 177.584 0.045 0.000 1.391 98 A CA 1.465 53.531 52.037 0.048 0.000 0.866 98 A CB -1.487 17.552 19.000 0.066 0.000 1.057 98 A HN 2.812 nan 8.150 nan 0.000 0.673 99 G N -2.898 105.853 108.800 -0.082 0.000 2.143 99 G HA2 0.072 4.032 3.960 -0.000 0.000 0.248 99 G HA3 0.072 4.032 3.960 -0.000 0.000 0.248 99 G C 1.439 176.100 174.900 -0.397 0.000 0.991 99 G CA 1.296 46.155 45.100 -0.401 0.000 0.689 99 G HN 2.333 nan 8.290 nan 0.000 0.522 100 A N -0.506 122.276 122.820 -0.063 0.000 1.908 100 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 100 A C 2.521 179.979 177.584 -0.208 0.000 1.181 100 A CA 2.850 54.917 52.037 0.049 0.000 0.627 100 A CB -0.866 18.237 19.000 0.171 0.000 0.818 100 A HN 0.854 nan 8.150 nan 0.000 0.445 101 T N 0.765 115.213 114.554 -0.177 0.000 2.643 101 T HA -0.163 4.187 4.350 -0.000 0.000 0.264 101 T C 1.912 176.469 174.700 -0.238 0.000 1.045 101 T CA 1.592 63.581 62.100 -0.185 0.000 1.155 101 T CB -0.382 68.415 68.868 -0.118 0.000 0.863 101 T HN 0.817 nan 8.240 nan 0.000 0.420 102 E N 1.616 121.668 120.200 -0.247 0.000 2.150 102 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 102 E C 1.686 178.218 176.600 -0.114 0.000 0.985 102 E CA 1.462 57.755 56.400 -0.178 0.000 0.814 102 E CB -0.722 28.898 29.700 -0.132 0.000 0.752 102 E HN 0.738 nan 8.360 nan 0.000 0.466 103 H N 0.175 119.116 119.070 -0.216 0.000 2.403 103 H HA 0.063 4.619 4.556 -0.000 0.000 0.298 103 H C 2.296 177.283 175.328 -0.568 0.000 1.059 103 H CA 0.983 56.884 56.048 -0.245 0.000 1.363 103 H CB 0.128 29.914 29.762 0.040 0.000 1.410 103 H HN 0.047 nan 8.280 nan 0.000 0.528 104 R N 2.059 121.995 120.500 -0.940 0.000 2.081 104 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 104 R C 2.265 178.392 176.300 -0.288 0.000 1.131 104 R CA 1.504 57.101 56.100 -0.839 0.000 0.960 104 R CB -0.852 29.016 30.300 -0.720 0.000 0.856 104 R HN 0.263 nan 8.270 nan 0.000 0.436 105 A N 0.540 123.226 122.820 -0.222 0.000 1.883 105 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 105 A C 2.438 179.967 177.584 -0.092 0.000 1.186 105 A CA 2.102 54.063 52.037 -0.127 0.000 0.624 105 A CB -1.202 17.727 19.000 -0.118 0.000 0.822 105 A HN 0.527 nan 8.150 nan 0.000 0.444 106 A N -1.189 121.595 122.820 -0.059 0.000 1.930 106 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 106 A C 2.278 179.908 177.584 0.076 0.000 1.175 106 A CA 1.627 53.665 52.037 0.002 0.000 0.627 106 A CB -1.195 17.853 19.000 0.081 0.000 0.815 106 A HN 0.622 nan 8.150 nan 0.000 0.443 107 C N -0.718 118.623 119.300 0.067 0.000 2.440 107 C HA -0.006 4.454 4.460 -0.000 0.000 0.278 107 C C 2.599 177.644 174.990 0.091 0.000 1.295 107 C CA 0.800 59.892 59.018 0.122 0.000 1.738 107 C CB -1.522 26.321 27.740 0.170 0.000 1.987 107 C HN 0.624 nan 8.230 nan 0.000 0.492 108 L N 1.336 122.586 121.223 0.045 0.000 2.012 108 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 108 L C 2.920 179.816 176.870 0.044 0.000 1.073 108 L CA 1.828 56.695 54.840 0.045 0.000 0.748 108 L CB -0.850 41.222 42.059 0.022 0.000 0.891 108 L HN 0.331 nan 8.230 nan 0.000 0.431 109 A N -1.014 121.814 122.820 0.012 0.000 1.972 109 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 109 A C 2.397 180.105 177.584 0.207 0.000 1.169 109 A CA 1.990 54.031 52.037 0.007 0.000 0.635 109 A CB -0.540 18.295 19.000 -0.274 0.000 0.810 109 A HN 0.378 nan 8.150 nan 0.000 0.446 110 S N -1.851 114.000 115.700 0.252 0.000 2.555 110 S HA 0.299 4.769 4.470 -0.000 0.000 0.230 110 S C 1.442 176.081 174.600 0.066 0.000 0.978 110 S CA 1.037 59.346 58.200 0.182 0.000 0.934 110 S CB -0.041 63.227 63.200 0.114 0.000 0.766 110 S HN 1.581 nan 8.310 nan 0.000 0.533 111 G N 0.984 109.823 108.800 0.065 0.000 2.179 111 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 111 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 111 G C 0.114 175.028 174.900 0.024 0.000 0.990 111 G CA -0.457 44.661 45.100 0.030 0.000 0.646 111 G HN 0.475 nan 8.290 nan 0.000 0.517 112 I N 3.821 124.419 120.570 0.047 0.000 2.505 112 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 112 I C -1.218 174.915 176.117 0.027 0.000 1.104 112 I CA -1.714 59.616 61.300 0.051 0.000 1.387 112 I CB 0.781 38.840 38.000 0.099 0.000 1.404 112 I HN -0.015 nan 8.210 nan 0.000 0.528 113 P HA -0.095 nan 4.420 nan 0.000 0.268 113 P C 0.199 177.431 177.300 -0.113 0.000 1.208 113 P CA 0.068 63.095 63.100 -0.122 0.000 0.777 113 P CB 0.239 31.797 31.700 -0.237 0.000 0.875 114 Y N 0.199 120.516 120.300 0.028 0.000 2.384 114 Y HA -0.165 4.385 4.550 -0.000 0.000 0.289 114 Y C 2.061 177.982 175.900 0.034 0.000 1.152 114 Y CA 1.379 59.495 58.100 0.028 0.000 1.258 114 Y CB -2.092 36.376 38.460 0.015 0.000 0.979 114 Y HN 0.306 nan 8.280 nan 0.000 0.549 115 S N -1.100 114.363 115.700 -0.396 0.000 2.507 115 S HA -0.040 4.430 4.470 -0.000 0.000 0.235 115 S C 0.737 175.328 174.600 -0.015 0.000 0.988 115 S CA 0.545 58.665 58.200 -0.133 0.000 0.944 115 S CB -0.982 62.071 63.200 -0.245 0.000 0.762 115 S HN 0.388 nan 8.310 nan 0.000 0.526 116 T N 4.898 119.450 114.554 -0.003 0.000 2.743 116 T HA 0.463 4.813 4.350 -0.000 0.000 0.293 116 T C -2.550 172.209 174.700 0.099 0.000 0.945 116 T CA -1.270 60.854 62.100 0.040 0.000 1.030 116 T CB 1.242 70.138 68.868 0.046 0.000 0.912 116 T HN 0.211 nan 8.240 nan 0.000 0.483 117 P HA 0.404 nan 4.420 nan 0.000 0.272 117 P C -1.020 176.383 177.300 0.171 0.000 1.240 117 P CA -0.528 62.646 63.100 0.123 0.000 0.791 117 P CB 0.463 32.207 31.700 0.073 0.000 0.978 118 F N 1.073 121.048 119.950 0.041 0.000 2.578 118 F HA 0.618 5.145 4.527 -0.000 0.000 0.311 118 F C -1.590 174.232 175.800 0.038 0.000 1.094 118 F CA -0.935 57.093 58.000 0.047 0.000 0.923 118 F CB 1.694 40.730 39.000 0.060 0.000 1.230 118 F HN 0.153 nan 8.300 nan 0.000 0.450 119 V N 5.074 124.621 119.914 -0.613 0.000 2.808 119 V HA 0.901 5.021 4.120 -0.000 0.000 0.308 119 V C -1.384 174.440 176.094 -0.450 0.000 1.099 119 V CA -0.233 61.897 62.300 -0.284 0.000 0.920 119 V CB 1.623 33.360 31.823 -0.144 0.000 1.014 119 V HN 1.209 nan 8.190 nan 0.000 0.425 120 A N 6.923 129.699 122.820 -0.074 0.000 2.312 120 A HA 0.962 5.282 4.320 -0.000 0.000 0.326 120 A C -1.117 176.465 177.584 -0.003 0.000 1.172 120 A CA -0.605 51.445 52.037 0.022 0.000 0.821 120 A CB 1.001 20.131 19.000 0.216 0.000 1.166 120 A HN 0.973 nan 8.150 nan 0.000 0.493 121 L N 1.522 122.743 121.223 -0.004 0.000 2.422 121 L HA 0.541 4.881 4.340 -0.000 0.000 0.264 121 L C -0.656 176.227 176.870 0.021 0.000 0.984 121 L CA -0.893 53.945 54.840 -0.002 0.000 0.819 121 L CB 2.351 44.392 42.059 -0.030 0.000 1.330 121 L HN 0.707 nan 8.230 nan 0.000 0.410 122 N N 1.778 120.494 118.700 0.027 0.000 2.519 122 N HA 0.320 5.060 4.740 -0.000 0.000 0.286 122 N C -1.055 174.479 175.510 0.040 0.000 1.079 122 N CA -0.518 52.553 53.050 0.035 0.000 0.878 122 N CB 1.769 40.277 38.487 0.034 0.000 1.375 122 N HN 0.643 nan 8.380 nan 0.000 0.514 123 R N 3.418 123.949 120.500 0.052 0.000 2.881 123 R HA 0.157 4.497 4.340 -0.000 0.000 0.331 123 R C -0.132 176.212 176.300 0.074 0.000 1.207 123 R CA -0.213 55.929 56.100 0.069 0.000 1.265 123 R CB -0.225 30.134 30.300 0.098 0.000 1.351 123 R HN 0.687 nan 8.270 nan 0.000 0.613 124 Q N -1.036 118.797 119.800 0.056 0.000 1.795 124 Q HA -0.348 3.992 4.340 -0.000 0.000 0.404 124 Q C 1.232 177.273 176.000 0.067 0.000 0.847 124 Q CA 2.002 57.836 55.803 0.052 0.000 0.799 124 Q CB -1.520 27.251 28.738 0.055 0.000 3.822 124 Q HN 0.615 nan 8.270 nan 0.000 0.742 125 C N 0.767 120.125 119.300 0.095 0.000 2.401 125 C HA -0.107 4.353 4.460 -0.000 0.000 0.286 125 C C 2.503 177.586 174.990 0.156 0.000 1.332 125 C CA 1.248 60.362 59.018 0.160 0.000 1.795 125 C CB -1.546 26.328 27.740 0.222 0.000 1.922 125 C HN 0.712 nan 8.230 nan 0.000 0.520 126 S N 0.007 115.786 115.700 0.132 0.000 2.557 126 S HA 0.067 4.537 4.470 -0.000 0.000 0.223 126 S C 1.288 175.971 174.600 0.140 0.000 0.969 126 S CA 0.509 58.800 58.200 0.153 0.000 0.927 126 S CB -0.347 62.962 63.200 0.181 0.000 0.806 126 S HN 0.522 nan 8.310 nan 0.000 0.489 127 S N 1.933 117.691 115.700 0.096 0.000 2.392 127 S HA -0.079 4.391 4.470 -0.000 0.000 0.232 127 S C 2.011 176.635 174.600 0.041 0.000 1.041 127 S CA 1.619 59.855 58.200 0.061 0.000 1.026 127 S CB -1.024 62.200 63.200 0.040 0.000 0.845 127 S HN 0.785 nan 8.310 nan 0.000 0.465 128 G N 0.889 109.717 108.800 0.046 0.000 2.422 128 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.218 128 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.218 128 G C 1.344 176.275 174.900 0.051 0.000 1.140 128 G CA 0.570 45.684 45.100 0.023 0.000 0.775 128 G HN 0.426 nan 8.290 nan 0.000 0.545 129 L N 0.485 121.779 121.223 0.119 0.000 2.131 129 L HA 0.164 4.504 4.340 -0.000 0.000 0.206 129 L C 2.815 179.726 176.870 0.069 0.000 1.087 129 L CA 1.837 56.797 54.840 0.199 0.000 0.767 129 L CB -0.627 41.637 42.059 0.342 0.000 0.917 129 L HN 0.100 nan 8.230 nan 0.000 0.441 130 T N -0.244 114.341 114.554 0.052 0.000 2.833 130 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 130 T C 1.861 176.433 174.700 -0.213 0.000 1.054 130 T CA 1.158 63.164 62.100 -0.157 0.000 1.135 130 T CB -0.300 68.576 68.868 0.013 0.000 0.869 130 T HN 0.507 nan 8.240 nan 0.000 0.466 131 A N 0.696 123.451 122.820 -0.109 0.000 1.930 131 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 131 A C 2.530 180.034 177.584 -0.134 0.000 1.175 131 A CA 1.083 53.051 52.037 -0.114 0.000 0.627 131 A CB -0.814 18.143 19.000 -0.073 0.000 0.815 131 A HN 0.366 nan 8.150 nan 0.000 0.443 132 V N 1.068 120.923 119.914 -0.098 0.000 2.358 132 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 132 V C 2.437 178.386 176.094 -0.241 0.000 1.047 132 V CA 2.132 64.384 62.300 -0.080 0.000 1.035 132 V CB -0.979 30.909 31.823 0.109 0.000 0.658 132 V HN 0.800 nan 8.190 nan 0.000 0.452 133 N N 0.029 118.500 118.700 -0.380 0.000 2.120 133 N HA -0.256 4.484 4.740 -0.000 0.000 0.188 133 N C 1.745 177.031 175.510 -0.373 0.000 1.024 133 N CA 1.836 54.566 53.050 -0.533 0.000 0.852 133 N CB -0.040 37.682 38.487 -1.274 0.000 1.003 133 N HN 0.642 nan 8.380 nan 0.000 0.424 134 D N 0.138 120.356 120.400 -0.304 0.000 2.092 134 D HA -0.128 4.512 4.640 -0.000 0.000 0.193 134 D C 2.103 178.293 176.300 -0.183 0.000 0.994 134 D CA 1.132 55.010 54.000 -0.202 0.000 0.828 134 D CB 0.083 40.784 40.800 -0.165 0.000 0.963 134 D HN 0.181 nan 8.370 nan 0.000 0.450 135 I N 0.959 121.415 120.570 -0.189 0.000 2.252 135 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 135 I C 2.556 178.541 176.117 -0.220 0.000 1.102 135 I CA 1.100 62.300 61.300 -0.167 0.000 1.385 135 I CB -1.574 36.342 38.000 -0.139 0.000 1.064 135 I HN 0.096 nan 8.210 nan 0.000 0.414 136 A N 1.236 123.840 122.820 -0.359 0.000 1.908 136 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 136 A C 2.079 179.495 177.584 -0.280 0.000 1.181 136 A CA 2.063 53.801 52.037 -0.498 0.000 0.627 136 A CB -0.721 17.485 19.000 -1.322 0.000 0.818 136 A HN 0.419 nan 8.150 nan 0.000 0.445 137 N N -0.279 118.295 118.700 -0.209 0.000 2.270 137 N HA -0.074 4.666 4.740 -0.000 0.000 0.181 137 N C 1.583 177.044 175.510 -0.080 0.000 1.016 137 N CA 1.354 54.345 53.050 -0.098 0.000 0.870 137 N CB -0.281 38.164 38.487 -0.071 0.000 0.979 137 N HN 0.581 nan 8.380 nan 0.000 0.431 138 K N 0.404 120.745 120.400 -0.098 0.000 2.097 138 K HA 0.059 4.379 4.320 -0.000 0.000 0.205 138 K C 1.933 178.494 176.600 -0.065 0.000 1.050 138 K CA 0.700 56.944 56.287 -0.072 0.000 0.938 138 K CB -0.007 32.449 32.500 -0.073 0.000 0.718 138 K HN 0.143 nan 8.250 nan 0.000 0.442 139 I N 1.219 121.739 120.570 -0.084 0.000 2.252 139 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 139 I C 1.948 178.038 176.117 -0.046 0.000 1.102 139 I CA 1.327 62.587 61.300 -0.067 0.000 1.385 139 I CB -0.108 37.842 38.000 -0.083 0.000 1.064 139 I HN 0.089 nan 8.210 nan 0.000 0.414 140 K N 0.402 120.774 120.400 -0.046 0.000 2.097 140 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 140 K C 1.791 178.384 176.600 -0.011 0.000 1.049 140 K CA 1.673 57.951 56.287 -0.016 0.000 0.933 140 K CB -0.257 32.247 32.500 0.007 0.000 0.717 140 K HN 0.366 nan 8.250 nan 0.000 0.442 141 V N -2.599 117.305 119.914 -0.017 0.000 3.573 141 V HA 0.284 4.404 4.120 -0.000 0.000 0.270 141 V C 1.069 177.155 176.094 -0.013 0.000 1.221 141 V CA 0.730 63.023 62.300 -0.011 0.000 1.163 141 V CB -0.483 31.333 31.823 -0.011 0.000 0.847 141 V HN 0.454 nan 8.190 nan 0.000 0.468 142 G N 0.275 109.064 108.800 -0.018 0.000 2.176 142 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.253 142 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.253 142 G C 0.841 175.730 174.900 -0.019 0.000 0.979 142 G CA 0.791 45.881 45.100 -0.017 0.000 0.641 142 G HN 0.627 nan 8.290 nan 0.000 0.530 143 Q N 0.080 119.867 119.800 -0.022 0.000 2.170 143 Q HA 0.181 4.521 4.340 -0.000 0.000 0.203 143 Q C 1.488 177.473 176.000 -0.025 0.000 0.976 143 Q CA 1.597 57.387 55.803 -0.022 0.000 0.858 143 Q CB -0.089 28.635 28.738 -0.024 0.000 0.907 143 Q HN 1.064 nan 8.270 nan 0.000 0.433 144 I N -5.107 115.444 120.570 -0.032 0.000 3.195 144 I HA 0.372 4.542 4.170 -0.000 0.000 0.313 144 I C -0.825 175.269 176.117 -0.039 0.000 1.237 144 I CA -1.013 60.266 61.300 -0.034 0.000 0.963 144 I CB 1.767 39.743 38.000 -0.041 0.000 1.278 144 I HN -0.316 nan 8.210 nan 0.000 0.460 145 D N 1.411 121.787 120.400 -0.040 0.000 2.470 145 D HA 0.460 5.100 4.640 -0.000 0.000 0.238 145 D C 0.078 176.346 176.300 -0.054 0.000 1.054 145 D CA 1.040 55.014 54.000 -0.043 0.000 0.896 145 D CB 1.337 42.114 40.800 -0.039 0.000 1.118 145 D HN 0.401 nan 8.370 nan 0.000 0.497 146 I N -0.066 120.468 120.570 -0.059 0.000 2.722 146 I HA 0.554 4.724 4.170 -0.000 0.000 0.295 146 I C -0.315 175.761 176.117 -0.068 0.000 1.161 146 I CA -0.787 60.468 61.300 -0.075 0.000 1.032 146 I CB 2.768 40.716 38.000 -0.087 0.000 1.244 146 I HN -0.144 nan 8.210 nan 0.000 0.421 147 G N 4.378 113.134 108.800 -0.074 0.000 2.690 147 G HA2 0.663 4.623 3.960 -0.000 0.000 0.293 147 G HA3 0.663 4.623 3.960 -0.000 0.000 0.293 147 G C -2.338 172.538 174.900 -0.040 0.000 1.399 147 G CA -0.561 44.506 45.100 -0.055 0.000 0.890 147 G HN 0.355 nan 8.290 nan 0.000 0.485 148 L N 1.249 122.472 121.223 0.001 0.000 2.313 148 L HA 0.866 5.206 4.340 -0.000 0.000 0.283 148 L C 0.172 177.072 176.870 0.051 0.000 1.013 148 L CA -0.899 53.982 54.840 0.068 0.000 0.816 148 L CB 1.280 43.428 42.059 0.148 0.000 1.236 148 L HN 0.856 nan 8.230 nan 0.000 0.419 149 A N 6.455 129.315 122.820 0.066 0.000 2.304 149 A HA 0.823 5.143 4.320 -0.000 0.000 0.323 149 A C -1.079 176.537 177.584 0.053 0.000 1.195 149 A CA -0.479 51.569 52.037 0.017 0.000 0.826 149 A CB 0.542 19.541 19.000 -0.002 0.000 1.184 149 A HN 0.753 nan 8.150 nan 0.000 0.496 150 L N 1.409 122.636 121.223 0.008 0.000 2.327 150 L HA 0.879 5.219 4.340 -0.000 0.000 0.258 150 L C 0.342 177.171 176.870 -0.068 0.000 1.024 150 L CA -0.831 54.001 54.840 -0.014 0.000 0.825 150 L CB 2.765 44.843 42.059 0.031 0.000 1.386 150 L HN 0.822 nan 8.230 nan 0.000 0.417 151 G N 0.239 108.959 108.800 -0.135 0.000 2.740 151 G HA2 0.589 4.549 3.960 -0.000 0.000 0.296 151 G HA3 0.589 4.549 3.960 -0.000 0.000 0.296 151 G C -2.219 172.564 174.900 -0.195 0.000 1.439 151 G CA -0.423 44.602 45.100 -0.126 0.000 1.066 151 G HN 0.393 nan 8.290 nan 0.000 0.527 152 V N 1.070 120.887 119.914 -0.161 0.000 2.932 152 V HA 0.901 5.021 4.120 -0.000 0.000 0.307 152 V C -1.777 174.248 176.094 -0.116 0.000 1.147 152 V CA -0.758 61.422 62.300 -0.200 0.000 0.951 152 V CB 2.330 33.971 31.823 -0.303 0.000 1.031 152 V HN 0.928 nan 8.190 nan 0.000 0.426 153 E N 2.866 123.001 120.200 -0.108 0.000 2.335 153 E HA 0.608 4.958 4.350 -0.000 0.000 0.280 153 E C -1.501 175.066 176.600 -0.054 0.000 0.918 153 E CA -0.140 56.227 56.400 -0.055 0.000 0.765 153 E CB 2.337 32.000 29.700 -0.061 0.000 1.218 153 E HN 0.764 nan 8.360 nan 0.000 0.425 154 S N 5.301 120.986 115.700 -0.026 0.000 2.406 154 S HA 0.260 4.730 4.470 -0.000 0.000 0.224 154 S C 0.726 175.301 174.600 -0.041 0.000 1.426 154 S CA -0.429 57.747 58.200 -0.040 0.000 1.179 154 S CB 0.025 63.208 63.200 -0.029 0.000 1.042 154 S HN 0.697 nan 8.310 nan 0.000 0.479 155 M N 1.710 121.281 119.600 -0.048 0.000 2.296 155 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 155 M C 2.093 178.277 176.300 -0.195 0.000 1.064 155 M CA 1.320 56.635 55.300 0.025 0.000 1.109 155 M CB -0.960 31.720 32.600 0.133 0.000 1.396 155 M HN 0.532 nan 8.290 nan 0.000 0.430 156 T N 1.129 115.379 114.554 -0.508 0.000 2.652 156 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 156 T C 1.520 176.000 174.700 -0.366 0.000 1.039 156 T CA 1.459 62.990 62.100 -0.949 0.000 1.153 156 T CB -0.331 68.198 68.868 -0.565 0.000 0.863 156 T HN 0.408 nan 8.240 nan 0.000 0.428 157 N N 1.025 119.643 118.700 -0.137 0.000 2.398 157 N HA 0.091 4.831 4.740 -0.000 0.000 0.188 157 N C 0.901 176.444 175.510 0.055 0.000 1.122 157 N CA 0.343 53.386 53.050 -0.011 0.000 0.866 157 N CB 0.138 38.619 38.487 -0.010 0.000 0.970 157 N HN 0.430 nan 8.380 nan 0.000 0.462 158 N N -0.731 118.019 118.700 0.082 0.000 2.145 158 N HA 0.010 4.750 4.740 -0.000 0.000 0.219 158 N C 0.926 176.527 175.510 0.151 0.000 1.266 158 N CA -0.186 52.923 53.050 0.099 0.000 0.902 158 N CB 0.383 38.905 38.487 0.058 0.000 1.078 158 N HN 0.118 nan 8.380 nan 0.000 0.513 159 Y N 3.627 123.984 120.300 0.095 0.000 2.139 159 Y HA -0.304 4.245 4.550 -0.000 0.000 0.282 159 Y C 2.474 178.455 175.900 0.136 0.000 1.179 159 Y CA 2.177 60.378 58.100 0.168 0.000 1.161 159 Y CB 0.125 38.825 38.460 0.398 0.000 0.970 159 Y HN 0.071 nan 8.280 nan 0.000 0.511 160 K N -0.635 119.971 120.400 0.343 0.000 2.360 160 K HA -0.169 4.151 4.320 -0.000 0.000 0.201 160 K C 1.336 178.001 176.600 0.107 0.000 1.046 160 K CA 1.575 57.987 56.287 0.209 0.000 0.945 160 K CB -0.361 32.244 32.500 0.176 0.000 0.750 160 K HN 0.260 nan 8.250 nan 0.000 0.464 161 N N 1.091 119.838 118.700 0.077 0.000 2.364 161 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 161 N C -0.120 175.403 175.510 0.022 0.000 1.022 161 N CA 0.622 53.697 53.050 0.041 0.000 0.883 161 N CB -0.009 38.495 38.487 0.029 0.000 0.965 161 N HN 0.025 nan 8.380 nan 0.000 0.438 162 V N 2.615 122.534 119.914 0.008 0.000 2.353 162 V HA 0.060 4.180 4.120 -0.000 0.000 0.264 162 V C 0.454 176.553 176.094 0.008 0.000 1.049 162 V CA -0.986 61.306 62.300 -0.014 0.000 0.896 162 V CB 0.640 32.422 31.823 -0.068 0.000 1.025 162 V HN 0.178 nan 8.190 nan 0.000 0.475 163 N N 8.932 127.641 118.700 0.015 0.000 2.429 163 N HA 0.062 4.802 4.740 -0.000 0.000 0.271 163 N C -0.967 174.557 175.510 0.024 0.000 1.272 163 N CA -1.430 51.635 53.050 0.024 0.000 0.921 163 N CB 1.502 40.001 38.487 0.020 0.000 1.128 163 N HN 0.318 nan 8.380 nan 0.000 0.481 164 P HA -0.190 nan 4.420 nan 0.000 0.218 164 P C 1.026 178.346 177.300 0.034 0.000 1.147 164 P CA 1.150 64.275 63.100 0.042 0.000 0.827 164 P CB 0.295 32.025 31.700 0.051 0.000 0.778 165 L N -1.380 119.859 121.223 0.027 0.000 2.645 165 L HA 0.252 4.592 4.340 -0.000 0.000 0.234 165 L C 0.986 177.867 176.870 0.019 0.000 1.165 165 L CA 0.139 54.993 54.840 0.023 0.000 0.944 165 L CB -1.107 40.964 42.059 0.019 0.000 1.149 165 L HN 0.106 nan 8.230 nan 0.000 0.446 166 G N -0.324 108.487 108.800 0.018 0.000 2.705 166 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.686 166 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.686 166 G C -0.027 174.879 174.900 0.011 0.000 1.285 166 G CA -0.689 44.419 45.100 0.014 0.000 0.800 166 G HN -0.024 nan 8.290 nan 0.000 0.611 167 M N 0.801 120.405 119.600 0.008 0.000 2.453 167 M HA 0.279 4.759 4.480 -0.000 0.000 0.239 167 M C 1.102 177.407 176.300 0.008 0.000 1.151 167 M CA 0.405 55.709 55.300 0.007 0.000 0.989 167 M CB -0.335 32.268 32.600 0.005 0.000 1.548 167 M HN 0.436 nan 8.290 nan 0.000 0.479 168 I N 0.207 120.781 120.570 0.008 0.000 2.325 168 I HA 0.107 4.277 4.170 -0.000 0.000 0.291 168 I C 1.117 177.238 176.117 0.007 0.000 1.019 168 I CA -0.176 61.128 61.300 0.007 0.000 1.302 168 I CB 1.356 39.361 38.000 0.007 0.000 1.401 168 I HN 0.075 nan 8.210 nan 0.000 0.485 169 S N 3.256 118.960 115.700 0.007 0.000 2.357 169 S HA -0.095 4.375 4.470 -0.000 0.000 0.221 169 S C 1.086 175.690 174.600 0.006 0.000 1.031 169 S CA 0.505 58.709 58.200 0.007 0.000 0.982 169 S CB -0.025 63.178 63.200 0.007 0.000 0.853 169 S HN 0.822 nan 8.310 nan 0.000 0.458 170 S N 1.719 117.422 115.700 0.005 0.000 2.560 170 S HA 0.059 4.529 4.470 -0.000 0.000 0.284 170 S C 1.031 175.634 174.600 0.005 0.000 1.327 170 S CA -0.338 57.865 58.200 0.005 0.000 1.055 170 S CB 0.980 64.183 63.200 0.004 0.000 0.868 170 S HN 0.260 nan 8.310 nan 0.000 0.506 171 E N 2.879 123.082 120.200 0.004 0.000 2.007 171 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 171 E C 1.841 178.443 176.600 0.003 0.000 0.999 171 E CA 2.281 58.683 56.400 0.004 0.000 0.811 171 E CB -0.678 29.024 29.700 0.003 0.000 0.762 171 E HN 0.951 nan 8.360 nan 0.000 0.450 172 E N 0.189 120.390 120.200 0.003 0.000 2.118 172 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 172 E C 2.199 178.800 176.600 0.002 0.000 0.992 172 E CA 1.544 57.946 56.400 0.002 0.000 0.804 172 E CB -0.547 29.154 29.700 0.002 0.000 0.741 172 E HN 0.422 nan 8.360 nan 0.000 0.458 173 L N 0.005 121.229 121.223 0.003 0.000 2.027 173 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 173 L C 2.808 179.680 176.870 0.003 0.000 1.074 173 L CA 1.581 56.422 54.840 0.003 0.000 0.745 173 L CB -0.480 41.581 42.059 0.004 0.000 0.898 173 L HN 0.227 nan 8.230 nan 0.000 0.433 174 Q N -0.095 119.707 119.800 0.004 0.000 2.248 174 Q HA -0.232 4.108 4.340 -0.000 0.000 0.208 174 Q C 1.442 177.443 176.000 0.003 0.000 0.984 174 Q CA 1.371 57.176 55.803 0.004 0.000 0.875 174 Q CB 0.097 28.838 28.738 0.005 0.000 0.910 174 Q HN 0.204 nan 8.270 nan 0.000 0.433 175 K N -0.146 120.255 120.400 0.002 0.000 2.358 175 K HA 0.102 4.421 4.320 -0.000 0.000 0.200 175 K C -0.074 176.526 176.600 -0.001 0.000 1.030 175 K CA -0.111 56.176 56.287 0.001 0.000 1.097 175 K CB 0.343 32.843 32.500 0.001 0.000 0.862 175 K HN 0.071 nan 8.250 nan 0.000 0.534 176 N N 1.487 120.186 118.700 -0.000 0.000 2.497 176 N HA -0.031 4.709 4.740 -0.000 0.000 0.271 176 N C 1.081 176.590 175.510 -0.003 0.000 1.142 176 N CA 0.076 53.125 53.050 -0.001 0.000 0.965 176 N CB 0.853 39.340 38.487 -0.001 0.000 1.077 176 N HN 0.138 nan 8.380 nan 0.000 0.462 177 R N 3.581 124.079 120.500 -0.004 0.000 2.103 177 R HA -0.142 4.198 4.340 -0.000 0.000 0.242 177 R C 0.743 177.039 176.300 -0.007 0.000 1.142 177 R CA 1.474 57.570 56.100 -0.006 0.000 0.960 177 R CB -0.009 30.286 30.300 -0.007 0.000 0.858 177 R HN 0.556 nan 8.270 nan 0.000 0.439 178 E N 0.854 121.051 120.200 -0.006 0.000 2.030 178 E HA -0.023 4.327 4.350 -0.000 0.000 0.189 178 E C 2.250 178.847 176.600 -0.004 0.000 0.974 178 E CA 1.190 57.587 56.400 -0.006 0.000 0.807 178 E CB -0.660 29.037 29.700 -0.006 0.000 0.771 178 E HN 0.456 nan 8.360 nan 0.000 0.451 179 A N 2.285 125.104 122.820 -0.002 0.000 1.903 179 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 179 A C 2.185 179.769 177.584 0.001 0.000 1.191 179 A CA 2.606 54.643 52.037 0.000 0.000 0.638 179 A CB -0.695 18.305 19.000 0.001 0.000 0.823 179 A HN 0.261 nan 8.150 nan 0.000 0.451 180 K N 0.028 120.427 120.400 -0.001 0.000 2.160 180 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 180 K C 1.774 178.373 176.600 -0.002 0.000 1.047 180 K CA 1.913 58.200 56.287 -0.000 0.000 0.930 180 K CB -0.208 32.291 32.500 -0.002 0.000 0.720 180 K HN 0.488 nan 8.250 nan 0.000 0.450 181 K N -0.162 120.235 120.400 -0.004 0.000 2.360 181 K HA -0.095 4.225 4.320 -0.000 0.000 0.201 181 K C 1.523 178.122 176.600 -0.002 0.000 1.046 181 K CA 1.090 57.373 56.287 -0.006 0.000 0.945 181 K CB -0.078 32.416 32.500 -0.010 0.000 0.750 181 K HN 0.211 nan 8.250 nan 0.000 0.464 182 C N 0.809 120.110 119.300 0.002 0.000 2.551 182 C HA 0.145 4.605 4.460 -0.000 0.000 0.284 182 C C 1.536 176.531 174.990 0.008 0.000 1.329 182 C CA 0.128 59.149 59.018 0.006 0.000 1.683 182 C CB -1.224 26.520 27.740 0.008 0.000 1.730 182 C HN 0.405 nan 8.230 nan 0.000 0.591 183 L N -0.418 120.808 121.223 0.006 0.000 2.664 183 L HA 0.304 4.644 4.340 -0.000 0.000 0.233 183 L C 0.454 177.330 176.870 0.010 0.000 1.113 183 L CA 0.190 55.035 54.840 0.009 0.000 0.896 183 L CB -0.009 42.055 42.059 0.009 0.000 1.163 183 L HN 0.207 nan 8.230 nan 0.000 0.497 184 I N 1.983 122.554 120.570 0.002 0.000 2.517 184 I HA 0.077 4.247 4.170 -0.000 0.000 0.285 184 I C -1.903 174.211 176.117 -0.005 0.000 1.106 184 I CA -1.616 59.680 61.300 -0.007 0.000 1.402 184 I CB 0.120 38.105 38.000 -0.023 0.000 1.399 184 I HN -0.221 nan 8.210 nan 0.000 0.535 185 P HA 0.034 nan 4.420 nan 0.000 0.266 185 P C 0.821 178.085 177.300 -0.060 0.000 1.195 185 P CA -0.110 62.997 63.100 0.012 0.000 0.768 185 P CB 0.490 32.229 31.700 0.065 0.000 0.838 186 M N 1.893 121.491 119.600 -0.004 0.000 2.149 186 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 186 M C 2.075 178.257 176.300 -0.196 0.000 1.064 186 M CA 2.129 57.455 55.300 0.042 0.000 1.102 186 M CB -1.874 30.860 32.600 0.222 0.000 1.369 186 M HN 0.552 nan 8.290 nan 0.000 0.408 187 G N 0.452 108.903 108.800 -0.582 0.000 2.408 187 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 187 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 187 G C 1.523 175.781 174.900 -1.069 0.000 1.150 187 G CA 0.277 44.391 45.100 -1.643 0.000 0.776 187 G HN 0.307 nan 8.290 nan 0.000 0.542 188 I N 2.228 122.449 120.570 -0.582 0.000 2.252 188 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 188 I C 3.206 179.159 176.117 -0.273 0.000 1.102 188 I CA 1.946 63.071 61.300 -0.290 0.000 1.385 188 I CB -1.551 36.377 38.000 -0.121 0.000 1.064 188 I HN 0.361 nan 8.210 nan 0.000 0.414 189 T N -0.836 113.567 114.554 -0.251 0.000 2.759 189 T HA -0.236 4.114 4.350 -0.000 0.000 0.269 189 T C 1.695 176.250 174.700 -0.242 0.000 1.042 189 T CA 1.957 63.950 62.100 -0.178 0.000 1.140 189 T CB -0.716 68.101 68.868 -0.084 0.000 0.864 189 T HN 0.253 nan 8.240 nan 0.000 0.455 190 N N 1.110 119.539 118.700 -0.452 0.000 2.270 190 N HA -0.082 4.658 4.740 -0.000 0.000 0.181 190 N C 2.015 177.318 175.510 -0.346 0.000 1.016 190 N CA 1.015 53.759 53.050 -0.511 0.000 0.870 190 N CB -0.132 37.617 38.487 -1.230 0.000 0.979 190 N HN 0.446 nan 8.380 nan 0.000 0.431 191 E N 0.264 120.264 120.200 -0.334 0.000 2.110 191 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 191 E C 1.269 177.777 176.600 -0.153 0.000 0.988 191 E CA 0.723 57.007 56.400 -0.193 0.000 0.804 191 E CB -0.304 29.312 29.700 -0.140 0.000 0.745 191 E HN 0.505 nan 8.360 nan 0.000 0.458 192 N N 0.818 119.420 118.700 -0.163 0.000 2.084 192 N HA -0.124 4.616 4.740 -0.000 0.000 0.190 192 N C 2.085 177.486 175.510 -0.181 0.000 1.030 192 N CA 0.825 53.781 53.050 -0.157 0.000 0.849 192 N CB -0.567 37.836 38.487 -0.140 0.000 1.012 192 N HN 0.004 nan 8.380 nan 0.000 0.423 193 V N 1.569 121.400 119.914 -0.138 0.000 2.343 193 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 193 V C 2.396 178.474 176.094 -0.026 0.000 1.051 193 V CA 1.804 64.064 62.300 -0.067 0.000 1.036 193 V CB -0.951 30.846 31.823 -0.043 0.000 0.654 193 V HN 0.316 nan 8.190 nan 0.000 0.451 194 A N -0.187 122.602 122.820 -0.052 0.000 1.902 194 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 194 A C 2.411 179.971 177.584 -0.039 0.000 1.181 194 A CA 2.038 54.069 52.037 -0.011 0.000 0.623 194 A CB -0.725 18.261 19.000 -0.022 0.000 0.818 194 A HN 0.557 nan 8.150 nan 0.000 0.443 195 A N -0.043 122.718 122.820 -0.097 0.000 1.873 195 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 195 A C 2.019 179.488 177.584 -0.192 0.000 1.186 195 A CA 1.542 53.509 52.037 -0.116 0.000 0.616 195 A CB -0.720 18.208 19.000 -0.121 0.000 0.823 195 A HN 0.577 nan 8.150 nan 0.000 0.442 196 N N -1.282 117.209 118.700 -0.348 0.000 2.272 196 N HA -0.120 4.620 4.740 -0.000 0.000 0.185 196 N C 0.018 175.043 175.510 -0.809 0.000 1.014 196 N CA 1.313 53.950 53.050 -0.689 0.000 0.870 196 N CB -0.114 37.668 38.487 -1.174 0.000 0.975 196 N HN 0.471 nan 8.380 nan 0.000 0.433 197 F N 0.548 120.490 119.950 -0.012 0.000 2.764 197 F HA 0.333 4.860 4.527 -0.000 0.000 0.310 197 F C 0.015 175.832 175.800 0.029 0.000 1.124 197 F CA -0.670 57.355 58.000 0.042 0.000 1.252 197 F CB 0.319 39.400 39.000 0.135 0.000 1.010 197 F HN -0.350 nan 8.300 nan 0.000 0.518 198 K N 1.716 122.156 120.400 0.067 0.000 4.405 198 K HA -0.175 4.145 4.320 -0.000 0.000 0.287 198 K C -0.551 176.087 176.600 0.063 0.000 0.905 198 K CA 0.560 56.872 56.287 0.041 0.000 0.867 198 K CB -1.488 31.031 32.500 0.031 0.000 1.652 198 K HN 0.477 nan 8.250 nan 0.000 0.435 199 I N 1.917 122.525 120.570 0.063 0.000 2.291 199 I HA 0.014 4.184 4.170 -0.000 0.000 0.290 199 I C 1.132 177.276 176.117 0.045 0.000 1.050 199 I CA -0.494 60.846 61.300 0.065 0.000 1.245 199 I CB 1.108 39.163 38.000 0.092 0.000 1.405 199 I HN 0.407 nan 8.210 nan 0.000 0.478 200 S N 5.602 121.327 115.700 0.041 0.000 2.568 200 S HA 0.040 4.510 4.470 -0.000 0.000 0.282 200 S C 1.240 175.873 174.600 0.056 0.000 1.338 200 S CA -0.432 57.792 58.200 0.041 0.000 1.045 200 S CB 1.259 64.480 63.200 0.035 0.000 0.873 200 S HN 0.741 nan 8.310 nan 0.000 0.516 201 R N 2.574 123.106 120.500 0.053 0.000 2.096 201 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 201 R C 2.154 178.500 176.300 0.078 0.000 1.127 201 R CA 2.242 58.381 56.100 0.065 0.000 0.968 201 R CB -0.736 29.597 30.300 0.055 0.000 0.861 201 R HN 0.864 nan 8.270 nan 0.000 0.440 202 K N 0.008 120.447 120.400 0.066 0.000 2.057 202 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 202 K C 1.131 177.787 176.600 0.093 0.000 1.049 202 K CA 1.947 58.276 56.287 0.070 0.000 0.931 202 K CB -0.275 32.257 32.500 0.053 0.000 0.714 202 K HN 0.207 nan 8.250 nan 0.000 0.440 203 D N 1.018 121.471 120.400 0.089 0.000 2.104 203 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 203 D C 2.149 178.547 176.300 0.163 0.000 0.994 203 D CA 1.328 55.395 54.000 0.113 0.000 0.830 203 D CB -0.149 40.700 40.800 0.082 0.000 0.959 203 D HN 0.414 nan 8.370 nan 0.000 0.452 204 Q N 0.267 120.154 119.800 0.145 0.000 2.050 204 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 204 Q C 1.674 177.809 176.000 0.225 0.000 0.980 204 Q CA 1.148 57.060 55.803 0.183 0.000 0.840 204 Q CB 0.011 28.834 28.738 0.141 0.000 0.898 204 Q HN 0.265 nan 8.270 nan 0.000 0.424 205 D N 0.144 120.647 120.400 0.171 0.000 2.178 205 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 205 D C 1.769 178.166 176.300 0.162 0.000 0.974 205 D CA 0.810 54.906 54.000 0.161 0.000 0.841 205 D CB -0.030 40.839 40.800 0.114 0.000 0.953 205 D HN 0.123 nan 8.370 nan 0.000 0.478 206 E N 0.300 120.597 120.200 0.162 0.000 2.047 206 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 206 E C 1.843 178.547 176.600 0.174 0.000 0.987 206 E CA 0.362 56.850 56.400 0.146 0.000 0.799 206 E CB -0.588 29.189 29.700 0.129 0.000 0.752 206 E HN 0.222 nan 8.360 nan 0.000 0.449 207 F N 1.034 121.042 119.950 0.097 0.000 2.091 207 F HA -0.263 4.264 4.527 -0.000 0.000 0.299 207 F C 2.123 177.986 175.800 0.105 0.000 1.103 207 F CA 2.111 60.167 58.000 0.094 0.000 1.228 207 F CB -0.737 38.319 39.000 0.094 0.000 0.984 207 F HN 0.096 nan 8.300 nan 0.000 0.477 208 A N 0.233 123.191 122.820 0.230 0.000 1.865 208 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 208 A C 2.425 180.142 177.584 0.221 0.000 1.191 208 A CA 2.239 54.396 52.037 0.200 0.000 0.623 208 A CB -1.671 17.502 19.000 0.289 0.000 0.826 208 A HN 0.527 nan 8.150 nan 0.000 0.444 209 A N 0.087 123.024 122.820 0.195 0.000 1.902 209 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 209 A C 2.076 179.731 177.584 0.118 0.000 1.181 209 A CA 1.822 53.966 52.037 0.179 0.000 0.623 209 A CB -0.833 18.223 19.000 0.093 0.000 0.818 209 A HN 0.710 nan 8.150 nan 0.000 0.443 210 N N -0.133 118.574 118.700 0.013 0.000 2.104 210 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 210 N C 2.021 177.467 175.510 -0.106 0.000 1.024 210 N CA 1.792 54.803 53.050 -0.066 0.000 0.853 210 N CB -0.166 38.234 38.487 -0.145 0.000 1.008 210 N HN 0.415 nan 8.380 nan 0.000 0.424 211 S N -0.520 115.060 115.700 -0.200 0.000 2.359 211 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 211 S C 1.833 176.397 174.600 -0.059 0.000 1.035 211 S CA 1.014 59.089 58.200 -0.209 0.000 1.018 211 S CB -0.500 62.525 63.200 -0.291 0.000 0.876 211 S HN 0.431 nan 8.310 nan 0.000 0.448 212 Y N 1.939 122.234 120.300 -0.009 0.000 2.097 212 Y HA -0.202 4.348 4.550 0.000 0.000 0.282 212 Y C 2.724 178.670 175.900 0.078 0.000 1.152 212 Y CA 2.102 60.229 58.100 0.045 0.000 1.136 212 Y CB -0.756 37.726 38.460 0.036 0.000 0.975 212 Y HN 0.407 nan 8.280 nan 0.000 0.498 213 Q N 0.289 120.219 119.800 0.217 0.000 2.045 213 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 213 Q C 2.058 178.135 176.000 0.129 0.000 0.991 213 Q CA 2.311 58.212 55.803 0.163 0.000 0.851 213 Q CB -0.322 28.477 28.738 0.101 0.000 0.911 213 Q HN 0.475 nan 8.270 nan 0.000 0.418 214 K N 0.367 120.804 120.400 0.061 0.000 2.147 214 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 214 K C 2.128 178.749 176.600 0.035 0.000 1.049 214 K CA 1.111 57.410 56.287 0.020 0.000 0.936 214 K CB -0.197 32.296 32.500 -0.012 0.000 0.722 214 K HN 0.176 nan 8.250 nan 0.000 0.446 215 A N 1.253 124.134 122.820 0.100 0.000 1.854 215 A HA -0.182 4.138 4.320 -0.000 0.000 0.214 215 A C 2.126 179.811 177.584 0.169 0.000 1.192 215 A CA 1.132 53.275 52.037 0.177 0.000 0.611 215 A CB -0.810 18.297 19.000 0.178 0.000 0.832 215 A HN 0.386 nan 8.150 nan 0.000 0.442 216 Y N 1.078 121.444 120.300 0.110 0.000 2.165 216 Y HA -0.268 4.282 4.550 -0.000 0.000 0.286 216 Y C 2.329 178.249 175.900 0.034 0.000 1.155 216 Y CA 2.417 60.571 58.100 0.090 0.000 1.164 216 Y CB -0.399 38.114 38.460 0.088 0.000 0.978 216 Y HN 0.363 nan 8.280 nan 0.000 0.513 217 K N 0.176 120.455 120.400 -0.202 0.000 2.002 217 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 217 K C 2.285 178.682 176.600 -0.337 0.000 1.048 217 K CA 1.656 57.768 56.287 -0.292 0.000 0.930 217 K CB -0.663 31.781 32.500 -0.094 0.000 0.714 217 K HN 0.290 nan 8.250 nan 0.000 0.438 218 A N 1.108 123.753 122.820 -0.293 0.000 1.972 218 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 218 A C 2.063 179.296 177.584 -0.584 0.000 1.169 218 A CA 1.973 53.735 52.037 -0.458 0.000 0.635 218 A CB -0.572 18.077 19.000 -0.585 0.000 0.810 218 A HN 0.505 nan 8.150 nan 0.000 0.446 219 K N -0.195 119.966 120.400 -0.398 0.000 1.985 219 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 219 K C 1.943 178.415 176.600 -0.214 0.000 1.047 219 K CA 1.811 58.012 56.287 -0.142 0.000 0.932 219 K CB -0.338 32.214 32.500 0.086 0.000 0.716 219 K HN 0.371 nan 8.250 nan 0.000 0.439 220 N N 0.702 119.162 118.700 -0.401 0.000 2.137 220 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 220 N C 1.379 176.765 175.510 -0.207 0.000 1.017 220 N CA 1.204 54.057 53.050 -0.327 0.000 0.859 220 N CB -0.066 38.132 38.487 -0.482 0.000 1.002 220 N HN 0.220 nan 8.380 nan 0.000 0.428 221 E N -0.199 119.863 120.200 -0.229 0.000 2.516 221 E HA 0.032 4.382 4.350 -0.000 0.000 0.199 221 E C 0.626 177.144 176.600 -0.137 0.000 1.069 221 E CA 0.489 56.791 56.400 -0.164 0.000 0.876 221 E CB -0.615 28.985 29.700 -0.167 0.000 0.843 221 E HN 0.436 nan 8.360 nan 0.000 0.530 222 G N 0.958 109.674 108.800 -0.141 0.000 2.160 222 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 222 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 222 G C 0.835 175.665 174.900 -0.117 0.000 1.022 222 G CA 0.537 45.587 45.100 -0.083 0.000 0.741 222 G HN 0.366 nan 8.290 nan 0.000 0.508 223 L N -1.378 119.687 121.223 -0.265 0.000 2.465 223 L HA 0.226 4.566 4.340 -0.000 0.000 0.224 223 L C 2.230 179.001 176.870 -0.165 0.000 1.145 223 L CA 0.461 55.137 54.840 -0.274 0.000 0.834 223 L CB -0.274 41.550 42.059 -0.393 0.000 0.944 223 L HN 0.230 nan 8.230 nan 0.000 0.451 224 F N -0.148 119.792 119.950 -0.017 0.000 2.698 224 F HA 0.045 4.572 4.527 -0.000 0.000 0.295 224 F C 2.216 178.019 175.800 0.005 0.000 1.124 224 F CA -0.190 57.807 58.000 -0.005 0.000 1.426 224 F CB -0.413 38.585 39.000 -0.005 0.000 1.120 224 F HN 0.049 nan 8.300 nan 0.000 0.583 225 E N 0.245 120.544 120.200 0.165 0.000 2.130 225 E HA -0.290 4.060 4.350 -0.000 0.000 0.196 225 E C 1.610 178.264 176.600 0.091 0.000 0.998 225 E CA 1.710 58.174 56.400 0.106 0.000 0.806 225 E CB -0.170 29.565 29.700 0.058 0.000 0.738 225 E HN 0.292 nan 8.360 nan 0.000 0.459 226 D N 0.535 120.986 120.400 0.085 0.000 2.117 226 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 226 D C 1.957 178.311 176.300 0.090 0.000 0.982 226 D CA 1.437 55.481 54.000 0.074 0.000 0.828 226 D CB -0.005 40.833 40.800 0.063 0.000 0.967 226 D HN 0.353 nan 8.370 nan 0.000 0.464 227 E N 0.157 120.423 120.200 0.110 0.000 2.158 227 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 227 E C 0.749 177.400 176.600 0.086 0.000 0.982 227 E CA 0.281 56.740 56.400 0.098 0.000 0.823 227 E CB -0.186 29.571 29.700 0.095 0.000 0.766 227 E HN 0.297 nan 8.360 nan 0.000 0.468 228 I N 2.154 122.778 120.570 0.090 0.000 2.634 228 I HA 0.111 4.281 4.170 -0.000 0.000 0.284 228 I C 0.186 176.356 176.117 0.088 0.000 1.124 228 I CA -0.128 61.221 61.300 0.082 0.000 1.417 228 I CB 0.671 38.718 38.000 0.077 0.000 1.396 228 I HN 0.144 nan 8.210 nan 0.000 0.571 229 L N 7.561 128.849 121.223 0.108 0.000 2.365 229 L HA 0.499 4.839 4.340 -0.000 0.000 0.273 229 L C -2.333 174.595 176.870 0.098 0.000 1.000 229 L CA -1.881 53.003 54.840 0.074 0.000 0.819 229 L CB 2.394 44.460 42.059 0.011 0.000 1.284 229 L HN 0.352 nan 8.230 nan 0.000 0.418 230 P HA 0.310 nan 4.420 nan 0.000 0.278 230 P C -0.985 176.371 177.300 0.094 0.000 1.238 230 P CA -0.219 62.933 63.100 0.086 0.000 0.794 230 P CB 1.749 33.480 31.700 0.052 0.000 0.955 231 I N 1.902 122.570 120.570 0.163 0.000 2.439 231 I HA 0.299 4.469 4.170 -0.000 0.000 0.285 231 I C 0.508 176.751 176.117 0.210 0.000 1.021 231 I CA -0.909 60.499 61.300 0.180 0.000 1.091 231 I CB 2.101 40.261 38.000 0.267 0.000 1.242 231 I HN 0.261 nan 8.210 nan 0.000 0.439 232 K N 6.644 127.134 120.400 0.150 0.000 2.172 232 K HA 0.446 4.766 4.320 -0.000 0.000 0.276 232 K C -0.667 176.096 176.600 0.271 0.000 1.013 232 K CA -0.602 55.783 56.287 0.163 0.000 0.913 232 K CB 0.940 33.502 32.500 0.102 0.000 1.055 232 K HN 0.403 nan 8.250 nan 0.000 0.461 233 L N 5.665 127.027 121.223 0.231 0.000 2.466 233 L HA 0.178 4.518 4.340 -0.000 0.000 0.257 233 L C -1.461 175.505 176.870 0.160 0.000 1.189 233 L CA -1.994 52.963 54.840 0.195 0.000 0.813 233 L CB 0.429 42.549 42.059 0.102 0.000 1.118 233 L HN 0.671 nan 8.230 nan 0.000 0.471 234 P HA -0.173 nan 4.420 nan 0.000 0.215 234 P C 0.460 177.798 177.300 0.063 0.000 1.157 234 P CA 1.202 64.351 63.100 0.081 0.000 0.874 234 P CB 0.025 31.705 31.700 -0.032 0.000 0.790 235 D N -1.896 118.521 120.400 0.029 0.000 2.355 235 D HA 0.134 4.774 4.640 -0.000 0.000 0.253 235 D C 1.385 177.707 176.300 0.036 0.000 1.187 235 D CA 0.611 54.626 54.000 0.025 0.000 0.900 235 D CB -1.083 39.723 40.800 0.011 0.000 0.915 235 D HN 0.255 nan 8.370 nan 0.000 0.516 236 G N 0.110 108.943 108.800 0.056 0.000 2.377 236 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.250 236 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.250 236 G C 0.770 175.700 174.900 0.051 0.000 1.039 236 G CA 0.552 45.684 45.100 0.054 0.000 0.625 236 G HN 0.852 nan 8.290 nan 0.000 0.526 237 S N -0.084 115.643 115.700 0.044 0.000 2.598 237 S HA 0.588 5.058 4.470 -0.000 0.000 0.256 237 S C 0.139 174.772 174.600 0.055 0.000 1.350 237 S CA 0.362 58.584 58.200 0.037 0.000 0.984 237 S CB 1.389 64.600 63.200 0.018 0.000 0.930 237 S HN 0.893 nan 8.310 nan 0.000 0.577 238 I N -0.040 120.555 120.570 0.042 0.000 2.548 238 I HA 0.267 4.437 4.170 -0.000 0.000 0.287 238 I C -0.937 175.203 176.117 0.037 0.000 1.103 238 I CA -0.543 60.792 61.300 0.059 0.000 1.049 238 I CB 1.905 39.938 38.000 0.053 0.000 1.232 238 I HN 0.848 nan 8.210 nan 0.000 0.429 239 C N 6.853 126.186 119.300 0.054 0.000 2.265 239 C HA 0.437 4.897 4.460 -0.000 0.000 0.332 239 C C 0.717 175.742 174.990 0.059 0.000 1.248 239 C CA 0.012 59.026 59.018 -0.008 0.000 1.727 239 C CB -0.442 27.198 27.740 -0.168 0.000 2.348 239 C HN 0.936 nan 8.230 nan 0.000 0.519 240 Q N 3.610 123.429 119.800 0.032 0.000 1.983 240 Q HA 0.245 4.585 4.340 -0.000 0.000 0.204 240 Q C -0.352 175.677 176.000 0.047 0.000 0.789 240 Q CA -0.148 55.689 55.803 0.057 0.000 1.007 240 Q CB 0.023 28.796 28.738 0.058 0.000 1.229 240 Q HN 0.629 nan 8.270 nan 0.000 0.431 241 S N 0.054 115.767 115.700 0.022 0.000 2.548 241 S HA 0.395 4.865 4.470 -0.000 0.000 0.276 241 S C -0.938 173.669 174.600 0.013 0.000 1.129 241 S CA -0.639 57.586 58.200 0.042 0.000 0.931 241 S CB 1.804 65.034 63.200 0.051 0.000 1.068 241 S HN 0.144 nan 8.310 nan 0.000 0.480 242 D N 2.422 122.837 120.400 0.025 0.000 2.455 242 D HA 0.101 4.740 4.640 -0.000 0.000 0.241 242 D C 0.828 177.138 176.300 0.017 0.000 1.138 242 D CA 0.391 54.386 54.000 -0.009 0.000 0.877 242 D CB 1.044 41.815 40.800 -0.049 0.000 1.187 242 D HN 0.784 nan 8.370 nan 0.000 0.451 243 E N 1.018 121.211 120.200 -0.011 0.000 2.250 243 E HA -0.010 4.340 4.350 -0.000 0.000 0.192 243 E C 1.996 178.628 176.600 0.053 0.000 0.986 243 E CA 0.252 56.656 56.400 0.006 0.000 0.849 243 E CB 0.176 29.855 29.700 -0.035 0.000 0.797 243 E HN 0.633 nan 8.360 nan 0.000 0.482 244 G N 1.965 110.802 108.800 0.062 0.000 2.404 244 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.215 244 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.215 244 G C -1.743 173.277 174.900 0.201 0.000 1.174 244 G CA -0.087 45.081 45.100 0.112 0.000 0.780 244 G HN 0.210 nan 8.290 nan 0.000 0.537 245 P HA 0.281 nan 4.420 nan 0.000 0.268 245 P C -0.460 177.004 177.300 0.273 0.000 1.205 245 P CA 0.268 63.551 63.100 0.306 0.000 0.771 245 P CB 0.751 32.637 31.700 0.310 0.000 0.858 246 R N 3.161 123.798 120.500 0.229 0.000 2.867 246 R HA 0.723 5.063 4.340 -0.000 0.000 0.268 246 R C -2.662 173.479 176.300 -0.265 0.000 1.014 246 R CA -2.177 53.899 56.100 -0.041 0.000 0.946 246 R CB 0.832 31.087 30.300 -0.076 0.000 1.208 246 R HN 0.264 nan 8.270 nan 0.000 0.477 247 P HA 0.264 nan 4.420 nan 0.000 0.284 247 P C -0.905 176.229 177.300 -0.278 0.000 1.287 247 P CA -0.514 62.181 63.100 -0.675 0.000 0.824 247 P CB 0.447 31.552 31.700 -0.991 0.000 1.180 248 N N -3.280 115.324 118.700 -0.160 0.000 2.829 248 N HA -0.095 4.645 4.740 -0.000 0.000 0.250 248 N C -0.440 175.008 175.510 -0.104 0.000 1.090 248 N CA 0.561 53.547 53.050 -0.107 0.000 0.781 248 N CB -2.504 35.920 38.487 -0.105 0.000 1.124 248 N HN 0.145 nan 8.380 nan 0.000 0.559 249 V N 0.667 120.515 119.914 -0.110 0.000 2.607 249 V HA 0.698 4.818 4.120 -0.000 0.000 0.289 249 V C 1.092 177.153 176.094 -0.054 0.000 1.053 249 V CA 0.282 62.496 62.300 -0.144 0.000 0.996 249 V CB 1.662 33.304 31.823 -0.302 0.000 0.995 249 V HN 0.464 nan 8.190 nan 0.000 0.476 250 T N 0.585 115.110 114.554 -0.048 0.000 2.843 250 T HA 0.670 5.020 4.350 -0.000 0.000 0.302 250 T C 0.807 175.514 174.700 0.013 0.000 1.232 250 T CA -0.043 62.055 62.100 -0.004 0.000 1.009 250 T CB 1.876 70.741 68.868 -0.006 0.000 1.254 250 T HN 0.720 nan 8.240 nan 0.000 0.504 251 A N 0.940 123.780 122.820 0.034 0.000 1.892 251 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 251 A C 2.018 179.623 177.584 0.035 0.000 1.188 251 A CA 1.965 54.031 52.037 0.049 0.000 0.631 251 A CB -1.020 18.013 19.000 0.055 0.000 0.822 251 A HN 0.939 nan 8.150 nan 0.000 0.447 252 E N 0.507 120.720 120.200 0.022 0.000 2.152 252 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 252 E C 2.243 178.846 176.600 0.004 0.000 0.983 252 E CA 1.245 57.654 56.400 0.015 0.000 0.818 252 E CB -0.412 29.298 29.700 0.016 0.000 0.758 252 E HN 0.778 nan 8.360 nan 0.000 0.467 253 S N 2.012 117.708 115.700 -0.008 0.000 2.368 253 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 253 S C 2.150 176.738 174.600 -0.020 0.000 1.030 253 S CA 0.738 58.923 58.200 -0.025 0.000 0.999 253 S CB -0.592 62.579 63.200 -0.049 0.000 0.844 253 S HN 0.159 nan 8.310 nan 0.000 0.459 254 L N 2.368 123.587 121.223 -0.007 0.000 2.376 254 L HA -0.004 4.336 4.340 -0.000 0.000 0.219 254 L C 2.751 179.641 176.870 0.034 0.000 1.133 254 L CA 1.021 55.871 54.840 0.016 0.000 0.816 254 L CB -0.661 41.430 42.059 0.053 0.000 0.933 254 L HN 0.552 nan 8.230 nan 0.000 0.449 255 S N -1.625 114.092 115.700 0.028 0.000 2.481 255 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 255 S C 2.167 176.781 174.600 0.022 0.000 0.996 255 S CA 0.835 59.053 58.200 0.031 0.000 0.942 255 S CB -0.188 63.029 63.200 0.029 0.000 0.768 255 S HN 0.477 nan 8.310 nan 0.000 0.520 256 S N 2.711 118.418 115.700 0.012 0.000 2.353 256 S HA -0.055 4.415 4.470 -0.000 0.000 0.222 256 S C 0.989 175.595 174.600 0.011 0.000 1.035 256 S CA 0.441 58.645 58.200 0.007 0.000 1.025 256 S CB -1.160 62.039 63.200 -0.002 0.000 0.902 256 S HN 0.598 nan 8.310 nan 0.000 0.440 257 I N 4.569 125.149 120.570 0.016 0.000 3.089 257 I HA -0.083 4.087 4.170 -0.000 0.000 0.321 257 I C 1.098 177.230 176.117 0.026 0.000 1.222 257 I CA 0.202 61.516 61.300 0.023 0.000 1.452 257 I CB -0.204 37.819 38.000 0.039 0.000 1.321 257 I HN 0.518 nan 8.210 nan 0.000 0.539 258 R N 7.026 127.535 120.500 0.015 0.000 2.637 258 R HA 0.462 4.802 4.340 -0.000 0.000 0.269 258 R C -2.786 173.523 176.300 0.015 0.000 1.089 258 R CA -1.865 54.241 56.100 0.009 0.000 1.177 258 R CB -0.569 29.727 30.300 -0.007 0.000 1.091 258 R HN 0.234 nan 8.270 nan 0.000 0.540 259 P HA 0.137 nan 4.420 nan 0.000 0.281 259 P C -0.325 176.952 177.300 -0.038 0.000 1.252 259 P CA 0.049 63.164 63.100 0.025 0.000 0.778 259 P CB 1.229 32.948 31.700 0.032 0.000 0.895 260 A N 2.235 125.007 122.820 -0.080 0.000 2.178 260 A HA 0.097 4.417 4.320 -0.000 0.000 0.211 260 A C 0.831 177.942 177.584 -0.787 0.000 1.157 260 A CA 1.002 52.801 52.037 -0.396 0.000 0.780 260 A CB -0.792 17.923 19.000 -0.474 0.000 0.828 260 A HN 0.506 nan 8.150 nan 0.000 0.476 261 F N -1.703 118.259 119.950 0.020 0.000 2.729 261 F HA 0.436 4.963 4.527 -0.000 0.000 0.304 261 F C 0.233 176.031 175.800 -0.003 0.000 1.008 261 F CA -0.248 57.757 58.000 0.008 0.000 1.188 261 F CB 0.441 39.435 39.000 -0.011 0.000 0.980 261 F HN -0.050 nan 8.300 nan 0.000 0.627 267 T N -1.758 112.823 114.554 0.045 0.000 3.086 267 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 267 T C 0.987 175.739 174.700 0.087 0.000 1.074 267 T CA 0.212 62.345 62.100 0.056 0.000 0.988 267 T CB 0.484 69.378 68.868 0.043 0.000 0.988 267 T HN 0.354 nan 8.240 nan 0.000 0.530 268 T N 3.940 118.558 114.554 0.106 0.000 2.761 268 T HA 0.496 4.846 4.350 -0.000 0.000 0.296 268 T C 0.356 175.199 174.700 0.238 0.000 0.934 268 T CA -0.271 61.937 62.100 0.179 0.000 1.091 268 T CB 0.858 69.809 68.868 0.139 0.000 0.896 268 T HN 0.629 nan 8.240 nan 0.000 0.515 269 T N -0.579 114.116 114.554 0.234 0.000 2.838 269 T HA 0.681 5.031 4.350 -0.000 0.000 0.292 269 T C 1.428 176.256 174.700 0.213 0.000 1.113 269 T CA -0.376 61.828 62.100 0.172 0.000 1.008 269 T CB 1.277 70.216 68.868 0.119 0.000 1.259 269 T HN 0.309 nan 8.240 nan 0.000 0.520 270 A N 0.239 123.146 122.820 0.146 0.000 2.019 270 A HA 0.221 4.541 4.320 -0.000 0.000 0.219 270 A C 2.241 179.948 177.584 0.205 0.000 1.164 270 A CA 1.910 54.048 52.037 0.169 0.000 0.644 270 A CB -1.506 17.556 19.000 0.104 0.000 0.805 270 A HN 1.198 nan 8.150 nan 0.000 0.449 271 G N 0.572 109.484 108.800 0.186 0.000 2.448 271 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 271 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 271 G C 1.043 176.114 174.900 0.284 0.000 1.135 271 G CA 1.075 46.307 45.100 0.221 0.000 0.784 271 G HN 0.785 nan 8.290 nan 0.000 0.543 272 N N -0.142 118.715 118.700 0.262 0.000 2.203 272 N HA 0.465 5.205 4.740 -0.000 0.000 0.207 272 N C 0.343 176.056 175.510 0.339 0.000 1.130 272 N CA 0.274 53.496 53.050 0.287 0.000 0.861 272 N CB 0.506 39.145 38.487 0.254 0.000 1.005 272 N HN 0.272 nan 8.380 nan 0.000 0.507 273 A N 0.138 123.171 122.820 0.355 0.000 2.322 273 A HA 0.710 5.030 4.320 -0.000 0.000 0.327 273 A C 0.207 177.880 177.584 0.149 0.000 1.134 273 A CA -0.566 51.701 52.037 0.382 0.000 0.831 273 A CB 0.681 20.058 19.000 0.629 0.000 1.288 273 A HN 0.374 nan 8.150 nan 0.000 0.472 274 S N 0.799 116.474 115.700 -0.042 0.000 2.573 274 S HA 0.244 4.714 4.470 -0.000 0.000 0.277 274 S C -0.062 174.587 174.600 0.083 0.000 1.346 274 S CA -0.139 58.053 58.200 -0.013 0.000 1.034 274 S CB 0.034 63.207 63.200 -0.044 0.000 0.879 274 S HN 0.656 nan 8.310 nan 0.000 0.528 275 Q N 0.808 120.662 119.800 0.090 0.000 2.259 275 Q HA 0.437 4.777 4.340 -0.000 0.000 0.246 275 Q C -0.625 175.457 176.000 0.136 0.000 0.920 275 Q CA -0.931 54.947 55.803 0.124 0.000 0.895 275 Q CB 1.196 29.997 28.738 0.105 0.000 1.220 275 Q HN 0.588 nan 8.270 nan 0.000 0.439 276 V N 2.354 122.370 119.914 0.169 0.000 2.521 276 V HA 0.125 4.245 4.120 -0.000 0.000 0.286 276 V C -0.090 176.083 176.094 0.131 0.000 1.034 276 V CA 0.512 62.930 62.300 0.197 0.000 1.045 276 V CB 0.531 32.546 31.823 0.320 0.000 0.974 276 V HN 0.758 nan 8.190 nan 0.000 0.480 277 S N 3.095 118.842 115.700 0.078 0.000 2.671 277 S HA 0.585 5.055 4.470 -0.000 0.000 0.277 277 S C -1.581 173.032 174.600 0.021 0.000 1.165 277 S CA -0.976 57.251 58.200 0.046 0.000 0.822 277 S CB 2.055 65.285 63.200 0.050 0.000 1.150 277 S HN 0.750 nan 8.310 nan 0.000 0.479 278 D N 0.109 120.547 120.400 0.064 0.000 2.498 278 D HA 0.766 5.406 4.640 -0.000 0.000 0.247 278 D C -0.031 176.345 176.300 0.127 0.000 1.070 278 D CA -0.136 53.914 54.000 0.084 0.000 0.842 278 D CB 1.801 42.701 40.800 0.167 0.000 1.361 278 D HN 0.814 nan 8.370 nan 0.000 0.484 279 G N -0.796 107.988 108.800 -0.026 0.000 2.451 279 G HA2 0.509 4.469 3.960 -0.000 0.000 0.292 279 G HA3 0.509 4.469 3.960 -0.000 0.000 0.292 279 G C -1.862 172.904 174.900 -0.222 0.000 1.427 279 G CA -0.524 44.526 45.100 -0.084 0.000 0.792 279 G HN 0.474 nan 8.290 nan 0.000 0.498 280 V N -0.994 118.723 119.914 -0.328 0.000 3.087 280 V HA 0.996 5.116 4.120 -0.000 0.000 0.306 280 V C -0.793 174.843 176.094 -0.763 0.000 1.187 280 V CA 0.396 62.394 62.300 -0.504 0.000 0.999 280 V CB 1.733 33.232 31.823 -0.541 0.000 1.049 280 V HN 2.633 nan 8.190 nan 0.000 0.431 281 A N 2.823 125.152 122.820 -0.818 0.000 2.610 281 A HA 1.038 5.358 4.320 -0.000 0.000 0.291 281 A C -0.370 176.844 177.584 -0.616 0.000 1.086 281 A CA -0.169 51.379 52.037 -0.815 0.000 0.677 281 A CB 1.751 20.518 19.000 -0.388 0.000 1.278 281 A HN 2.235 nan 8.150 nan 0.000 0.414 282 G N -0.964 107.609 108.800 -0.378 0.000 2.718 282 G HA2 0.649 4.609 3.960 -0.000 0.000 0.295 282 G HA3 0.649 4.609 3.960 -0.000 0.000 0.295 282 G C -1.881 173.070 174.900 0.085 0.000 1.421 282 G CA -0.421 44.642 45.100 -0.062 0.000 0.902 282 G HN 1.351 nan 8.290 nan 0.000 0.501 283 V N 1.464 121.531 119.914 0.255 0.000 2.525 283 V HA 0.504 4.624 4.120 -0.000 0.000 0.299 283 V C -0.773 175.475 176.094 0.256 0.000 1.034 283 V CA -0.763 61.691 62.300 0.255 0.000 0.863 283 V CB 1.565 33.450 31.823 0.105 0.000 0.999 283 V HN 0.778 nan 8.190 nan 0.000 0.423 284 L N 6.599 127.942 121.223 0.200 0.000 2.264 284 L HA 0.722 5.062 4.340 -0.000 0.000 0.289 284 L C -0.839 175.994 176.870 -0.062 0.000 1.044 284 L CA 0.313 55.131 54.840 -0.036 0.000 0.807 284 L CB 0.953 42.770 42.059 -0.404 0.000 1.192 284 L HN 0.557 nan 8.230 nan 0.000 0.425 285 L N 5.188 126.372 121.223 -0.065 0.000 2.333 285 L HA 0.998 5.338 4.340 -0.000 0.000 0.269 285 L C -0.289 176.532 176.870 -0.082 0.000 1.010 285 L CA -0.273 54.532 54.840 -0.059 0.000 0.818 285 L CB 1.894 43.919 42.059 -0.056 0.000 1.306 285 L HN 0.789 nan 8.230 nan 0.000 0.430 286 A N 1.430 124.211 122.820 -0.065 0.000 2.594 286 A HA 0.723 5.043 4.320 -0.000 0.000 0.291 286 A C -1.103 176.456 177.584 -0.041 0.000 1.105 286 A CA -0.736 51.263 52.037 -0.064 0.000 0.694 286 A CB 1.543 20.497 19.000 -0.076 0.000 1.291 286 A HN 0.654 nan 8.150 nan 0.000 0.410 287 R N 0.269 120.747 120.500 -0.037 0.000 2.594 287 R HA 0.238 4.578 4.340 -0.000 0.000 0.272 287 R C 1.421 177.712 176.300 -0.016 0.000 1.074 287 R CA -0.188 55.900 56.100 -0.021 0.000 1.105 287 R CB 0.531 30.818 30.300 -0.021 0.000 1.008 287 R HN 0.849 nan 8.270 nan 0.000 0.472 288 R N 1.299 121.797 120.500 -0.003 0.000 2.073 288 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 288 R C 1.845 178.140 176.300 -0.009 0.000 1.134 288 R CA 2.269 58.367 56.100 -0.003 0.000 0.952 288 R CB -0.261 30.044 30.300 0.008 0.000 0.850 288 R HN 0.836 nan 8.270 nan 0.000 0.433 289 S N -0.320 115.375 115.700 -0.008 0.000 2.400 289 S HA -0.099 4.371 4.470 -0.000 0.000 0.232 289 S C 2.021 176.611 174.600 -0.016 0.000 1.025 289 S CA 1.411 59.604 58.200 -0.011 0.000 0.993 289 S CB -0.422 62.773 63.200 -0.009 0.000 0.808 289 S HN 0.182 nan 8.310 nan 0.000 0.478 290 V N 2.118 122.019 119.914 -0.021 0.000 2.379 290 V HA 0.009 4.129 4.120 -0.000 0.000 0.245 290 V C 3.095 179.168 176.094 -0.034 0.000 1.044 290 V CA 1.452 63.735 62.300 -0.028 0.000 1.036 290 V CB -1.297 30.505 31.823 -0.035 0.000 0.664 290 V HN 0.655 nan 8.190 nan 0.000 0.453 291 A N 0.048 122.846 122.820 -0.036 0.000 1.933 291 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 291 A C 2.032 179.597 177.584 -0.032 0.000 1.175 291 A CA 2.142 54.153 52.037 -0.042 0.000 0.628 291 A CB -0.790 18.186 19.000 -0.040 0.000 0.814 291 A HN 0.680 nan 8.150 nan 0.000 0.444 292 N N -1.036 117.650 118.700 -0.023 0.000 2.120 292 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 292 N C 1.982 177.481 175.510 -0.019 0.000 1.024 292 N CA 1.384 54.423 53.050 -0.018 0.000 0.852 292 N CB -0.138 38.342 38.487 -0.012 0.000 1.003 292 N HN 0.484 nan 8.380 nan 0.000 0.424 293 Q N 0.772 120.560 119.800 -0.020 0.000 2.124 293 Q HA 0.009 4.349 4.340 -0.000 0.000 0.202 293 Q C 1.562 177.548 176.000 -0.023 0.000 0.977 293 Q CA 1.018 56.809 55.803 -0.020 0.000 0.850 293 Q CB 0.050 28.777 28.738 -0.020 0.000 0.901 293 Q HN 0.380 nan 8.270 nan 0.000 0.429 294 L N -0.148 121.057 121.223 -0.029 0.000 2.591 294 L HA 0.112 4.452 4.340 -0.000 0.000 0.228 294 L C 0.134 176.985 176.870 -0.032 0.000 1.133 294 L CA -0.209 54.612 54.840 -0.033 0.000 0.880 294 L CB -0.186 41.846 42.059 -0.044 0.000 1.033 294 L HN 0.308 nan 8.230 nan 0.000 0.450 295 N N 1.188 119.872 118.700 -0.028 0.000 2.696 295 N HA -0.202 4.538 4.740 -0.000 0.000 0.256 295 N C -0.855 174.637 175.510 -0.031 0.000 1.031 295 N CA 0.436 53.471 53.050 -0.024 0.000 0.730 295 N CB -1.105 37.370 38.487 -0.019 0.000 0.894 295 N HN 0.269 nan 8.380 nan 0.000 0.544 296 L N 0.588 121.788 121.223 -0.039 0.000 2.309 296 L HA 0.623 4.963 4.340 -0.000 0.000 0.282 296 L C -1.465 175.382 176.870 -0.039 0.000 1.036 296 L CA -1.890 52.919 54.840 -0.052 0.000 0.806 296 L CB 1.070 43.082 42.059 -0.079 0.000 1.220 296 L HN 0.130 nan 8.230 nan 0.000 0.429 297 P HA 0.100 nan 4.420 nan 0.000 0.271 297 P C -0.826 176.462 177.300 -0.020 0.000 1.216 297 P CA -0.195 62.893 63.100 -0.020 0.000 0.776 297 P CB 1.498 33.191 31.700 -0.012 0.000 0.881 298 V N 4.684 124.593 119.914 -0.007 0.000 2.384 298 V HA 0.139 4.259 4.120 -0.000 0.000 0.287 298 V C 1.508 177.609 176.094 0.012 0.000 1.020 298 V CA -0.377 61.923 62.300 0.001 0.000 0.850 298 V CB 1.210 33.038 31.823 0.008 0.000 0.987 298 V HN 0.441 nan 8.190 nan 0.000 0.436 299 L N 3.709 124.944 121.223 0.019 0.000 2.529 299 L HA 0.548 4.888 4.340 -0.000 0.000 0.223 299 L C 1.041 177.931 176.870 0.032 0.000 1.113 299 L CA 0.675 55.529 54.840 0.024 0.000 0.861 299 L CB -0.263 41.812 42.059 0.026 0.000 1.012 299 L HN 0.809 nan 8.230 nan 0.000 0.461 300 G N 0.764 109.593 108.800 0.048 0.000 2.321 300 G HA2 0.424 4.384 3.960 -0.000 0.000 0.296 300 G HA3 0.424 4.384 3.960 -0.000 0.000 0.296 300 G C -1.735 173.236 174.900 0.118 0.000 1.287 300 G CA -0.827 44.319 45.100 0.076 0.000 0.846 300 G HN 0.167 nan 8.290 nan 0.000 0.508 301 R N -1.567 119.039 120.500 0.177 0.000 2.740 301 R HA 0.688 5.028 4.340 -0.000 0.000 0.273 301 R C -1.645 174.857 176.300 0.337 0.000 0.998 301 R CA -1.049 55.178 56.100 0.212 0.000 0.900 301 R CB 1.719 32.097 30.300 0.129 0.000 1.223 301 R HN 0.867 nan 8.270 nan 0.000 0.466 302 Y N 3.513 123.919 120.300 0.177 0.000 2.304 302 Y HA 0.307 4.857 4.550 0.000 0.000 0.328 302 Y C 0.041 175.909 175.900 -0.055 0.000 1.123 302 Y CA -0.455 57.680 58.100 0.059 0.000 1.218 302 Y CB 0.947 39.454 38.460 0.079 0.000 1.207 302 Y HN 0.642 nan 8.280 nan 0.000 0.495 303 I N 3.001 123.217 120.570 -0.590 0.000 3.136 303 I HA 0.177 4.347 4.170 -0.000 0.000 0.262 303 I C -0.102 175.590 176.117 -0.709 0.000 1.132 303 I CA 0.784 61.810 61.300 -0.456 0.000 1.450 303 I CB -0.315 37.508 38.000 -0.296 0.000 1.315 303 I HN 0.649 nan 8.210 nan 0.000 0.460 304 D N -1.064 118.733 120.400 -1.004 0.000 2.671 304 D HA 0.400 5.040 4.640 -0.000 0.000 0.273 304 D C -1.795 174.209 176.300 -0.493 0.000 1.264 304 D CA -0.361 53.230 54.000 -0.681 0.000 0.788 304 D CB 2.317 42.941 40.800 -0.294 0.000 1.324 304 D HN -0.153 nan 8.370 nan 0.000 0.424 305 F N 1.315 121.111 119.950 -0.256 0.000 2.596 305 F HA 0.593 5.120 4.527 0.000 0.000 0.311 305 F C -1.730 174.060 175.800 -0.017 0.000 1.116 305 F CA -0.294 57.654 58.000 -0.086 0.000 0.957 305 F CB 1.617 40.686 39.000 0.116 0.000 1.250 305 F HN 0.160 nan 8.300 nan 0.000 0.444 306 Q N 3.216 122.657 119.800 -0.597 0.000 2.416 306 Q HA 0.523 4.863 4.340 -0.000 0.000 0.281 306 Q C -1.305 174.359 176.000 -0.560 0.000 1.067 306 Q CA -0.849 54.744 55.803 -0.351 0.000 0.809 306 Q CB 2.641 31.278 28.738 -0.168 0.000 1.418 306 Q HN 0.811 nan 8.270 nan 0.000 0.411 307 T N -2.067 112.342 114.554 -0.242 0.000 2.907 307 T HA 0.850 5.200 4.350 -0.000 0.000 0.292 307 T C -0.092 174.579 174.700 -0.048 0.000 1.043 307 T CA -0.738 61.270 62.100 -0.154 0.000 1.003 307 T CB 1.572 70.439 68.868 -0.002 0.000 1.084 307 T HN 0.461 nan 8.240 nan 0.000 0.483 308 V N -1.414 118.485 119.914 -0.024 0.000 3.049 308 V HA 0.986 5.106 4.120 -0.000 0.000 0.309 308 V C 0.266 176.360 176.094 0.001 0.000 1.148 308 V CA -1.024 61.273 62.300 -0.004 0.000 0.990 308 V CB 1.500 33.330 31.823 0.011 0.000 1.039 308 V HN 1.321 nan 8.190 nan 0.000 0.430 309 G N 0.418 109.210 108.800 -0.013 0.000 2.425 309 G HA2 0.743 4.703 3.960 -0.000 0.000 0.302 309 G HA3 0.743 4.703 3.960 -0.000 0.000 0.302 309 G C -0.460 174.407 174.900 -0.056 0.000 1.159 309 G CA -0.129 44.961 45.100 -0.017 0.000 0.865 309 G HN 1.891 nan 8.290 nan 0.000 0.515 310 V N -1.459 118.427 119.914 -0.047 0.000 3.160 310 V HA 0.796 4.916 4.120 -0.000 0.000 0.310 310 V C -2.867 173.198 176.094 -0.049 0.000 1.181 310 V CA -2.816 59.433 62.300 -0.084 0.000 1.047 310 V CB 1.892 33.696 31.823 -0.032 0.000 1.068 310 V HN 0.544 nan 8.190 nan 0.000 0.441 311 P HA 0.305 nan 4.420 nan 0.000 0.267 311 P C -2.293 174.999 177.300 -0.013 0.000 1.209 311 P CA -1.218 61.863 63.100 -0.031 0.000 0.763 311 P CB 0.253 31.935 31.700 -0.030 0.000 0.816 312 P HA -0.210 nan 4.420 nan 0.000 0.217 312 P C 1.317 178.612 177.300 -0.009 0.000 1.148 312 P CA 1.462 64.560 63.100 -0.003 0.000 0.828 312 P CB -0.152 31.546 31.700 -0.003 0.000 0.783 313 E N 0.542 120.730 120.200 -0.019 0.000 2.268 313 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 313 E C 0.791 177.366 176.600 -0.042 0.000 0.995 313 E CA 1.079 57.458 56.400 -0.034 0.000 0.836 313 E CB -0.655 29.021 29.700 -0.040 0.000 0.763 313 E HN 0.351 nan 8.360 nan 0.000 0.491 314 I N -0.560 119.995 120.570 -0.024 0.000 3.083 314 I HA 0.205 4.375 4.170 -0.000 0.000 0.336 314 I C 1.423 177.545 176.117 0.008 0.000 1.497 314 I CA -0.668 60.620 61.300 -0.020 0.000 0.936 314 I CB 0.461 38.460 38.000 -0.001 0.000 1.671 314 I HN -0.179 nan 8.210 nan 0.000 0.535 315 M N 0.711 120.321 119.600 0.016 0.000 2.192 315 M HA -0.012 4.468 4.480 -0.000 0.000 0.259 315 M C 1.902 178.241 176.300 0.065 0.000 1.071 315 M CA 2.250 57.576 55.300 0.043 0.000 1.082 315 M CB -1.665 30.964 32.600 0.049 0.000 1.373 315 M HN 0.293 nan 8.290 nan 0.000 0.408 316 G N 0.631 109.470 108.800 0.064 0.000 2.516 316 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.221 316 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.221 316 G C 1.362 176.305 174.900 0.072 0.000 1.107 316 G CA 1.153 46.303 45.100 0.084 0.000 0.747 316 G HN 0.789 nan 8.290 nan 0.000 0.567 317 V N -1.403 118.551 119.914 0.066 0.000 3.646 317 V HA 0.369 4.489 4.120 -0.000 0.000 0.277 317 V C 2.318 178.541 176.094 0.216 0.000 1.274 317 V CA 0.684 63.064 62.300 0.133 0.000 1.164 317 V CB -0.412 31.491 31.823 0.133 0.000 0.926 317 V HN 0.181 nan 8.190 nan 0.000 0.442 318 G N 1.815 110.712 108.800 0.162 0.000 2.574 318 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 318 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 318 G C -0.061 174.908 174.900 0.114 0.000 1.173 318 G CA 1.557 46.750 45.100 0.156 0.000 0.772 318 G HN 0.644 nan 8.290 nan 0.000 0.585 319 P HA 0.034 nan 4.420 nan 0.000 0.220 319 P C 1.990 179.240 177.300 -0.084 0.000 1.148 319 P CA 1.571 64.665 63.100 -0.009 0.000 0.803 319 P CB -0.140 31.547 31.700 -0.021 0.000 0.782 320 A N -1.721 121.015 122.820 -0.141 0.000 2.019 320 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 320 A C 1.585 178.802 177.584 -0.612 0.000 1.164 320 A CA 1.495 53.289 52.037 -0.404 0.000 0.644 320 A CB -1.487 17.238 19.000 -0.458 0.000 0.805 320 A HN 0.194 nan 8.150 nan 0.000 0.449 321 Y N -1.696 118.597 120.300 -0.012 0.000 2.522 321 Y HA 0.377 4.927 4.550 -0.000 0.000 0.277 321 Y C 2.659 178.537 175.900 -0.038 0.000 1.104 321 Y CA 0.125 58.212 58.100 -0.020 0.000 1.260 321 Y CB -0.319 38.136 38.460 -0.008 0.000 1.151 321 Y HN 0.239 nan 8.280 nan 0.000 0.539 322 A N 0.224 123.089 122.820 0.074 0.000 1.929 322 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 322 A C 2.101 179.659 177.584 -0.043 0.000 1.176 322 A CA 1.203 53.234 52.037 -0.009 0.000 0.628 322 A CB -0.823 18.148 19.000 -0.049 0.000 0.816 322 A HN 0.424 nan 8.150 nan 0.000 0.444 323 I N 0.110 120.658 120.570 -0.037 0.000 2.163 323 I HA -0.140 4.030 4.170 -0.000 0.000 0.240 323 I C -0.621 175.484 176.117 -0.021 0.000 1.081 323 I CA 1.266 62.556 61.300 -0.017 0.000 1.353 323 I CB -0.834 37.162 38.000 -0.007 0.000 1.054 323 I HN 0.202 nan 8.210 nan 0.000 0.407 324 P HA -0.197 nan 4.420 nan 0.000 0.218 324 P C 1.449 178.739 177.300 -0.016 0.000 1.148 324 P CA 1.499 64.582 63.100 -0.029 0.000 0.822 324 P CB -0.069 31.607 31.700 -0.041 0.000 0.784 325 K N -0.185 120.207 120.400 -0.012 0.000 2.026 325 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 325 K C 1.952 178.526 176.600 -0.044 0.000 1.048 325 K CA 1.111 57.386 56.287 -0.020 0.000 0.929 325 K CB -0.685 31.804 32.500 -0.019 0.000 0.713 325 K HN -0.110 nan 8.250 nan 0.000 0.439 326 V N 1.129 121.002 119.914 -0.069 0.000 2.667 326 V HA -0.122 3.998 4.120 -0.000 0.000 0.252 326 V C 1.889 177.939 176.094 -0.074 0.000 1.065 326 V CA 1.156 63.401 62.300 -0.091 0.000 1.083 326 V CB -0.127 31.614 31.823 -0.136 0.000 0.692 326 V HN 0.317 nan 8.190 nan 0.000 0.468 327 L N -0.463 120.731 121.223 -0.048 0.000 2.027 327 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 327 L C 2.597 179.447 176.870 -0.033 0.000 1.074 327 L CA 1.903 56.721 54.840 -0.036 0.000 0.745 327 L CB -0.536 41.516 42.059 -0.011 0.000 0.898 327 L HN 0.344 nan 8.230 nan 0.000 0.433 328 E N 0.075 120.259 120.200 -0.026 0.000 2.077 328 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 328 E C 2.252 178.838 176.600 -0.024 0.000 0.989 328 E CA 1.169 57.556 56.400 -0.020 0.000 0.800 328 E CB -0.127 29.565 29.700 -0.013 0.000 0.746 328 E HN 0.486 nan 8.360 nan 0.000 0.452 329 A N 1.022 123.824 122.820 -0.031 0.000 2.015 329 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 329 A C 2.278 179.840 177.584 -0.037 0.000 1.163 329 A CA 1.886 53.905 52.037 -0.030 0.000 0.646 329 A CB -0.523 18.458 19.000 -0.032 0.000 0.806 329 A HN 0.363 nan 8.150 nan 0.000 0.448 330 T N -4.782 109.742 114.554 -0.050 0.000 3.069 330 T HA 0.418 4.768 4.350 -0.000 0.000 0.252 330 T C 1.211 175.886 174.700 -0.042 0.000 1.053 330 T CA 0.937 63.004 62.100 -0.056 0.000 0.964 330 T CB 0.089 68.906 68.868 -0.084 0.000 1.005 330 T HN 1.655 nan 8.240 nan 0.000 0.532 331 G N 1.401 110.182 108.800 -0.032 0.000 2.246 331 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.273 331 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.273 331 G C -0.219 174.666 174.900 -0.026 0.000 1.055 331 G CA 0.310 45.395 45.100 -0.025 0.000 0.851 331 G HN 0.626 nan 8.290 nan 0.000 0.500 332 L N -1.532 119.673 121.223 -0.030 0.000 2.304 332 L HA 0.799 5.139 4.340 -0.000 0.000 0.268 332 L C 0.466 177.327 176.870 -0.015 0.000 1.010 332 L CA -1.136 53.687 54.840 -0.027 0.000 0.813 332 L CB 1.887 43.921 42.059 -0.042 0.000 1.315 332 L HN 0.234 nan 8.230 nan 0.000 0.445 333 Q N -1.000 118.797 119.800 -0.006 0.000 2.458 333 Q HA 0.327 4.667 4.340 -0.000 0.000 0.282 333 Q C 0.545 176.566 176.000 0.035 0.000 1.106 333 Q CA -0.669 55.139 55.803 0.009 0.000 0.814 333 Q CB 2.502 31.243 28.738 0.005 0.000 1.425 333 Q HN 0.343 nan 8.270 nan 0.000 0.437 334 V N 1.120 121.072 119.914 0.063 0.000 2.231 334 V HA -0.372 3.748 4.120 -0.000 0.000 0.248 334 V C 1.861 178.037 176.094 0.137 0.000 1.054 334 V CA 2.593 64.984 62.300 0.153 0.000 1.015 334 V CB -0.744 31.139 31.823 0.099 0.000 0.638 334 V HN 0.895 nan 8.190 nan 0.000 0.444 335 Q N -0.005 119.839 119.800 0.073 0.000 2.522 335 Q HA -0.223 4.117 4.340 -0.000 0.000 0.216 335 Q C 1.265 177.279 176.000 0.024 0.000 0.986 335 Q CA 2.006 57.840 55.803 0.051 0.000 0.901 335 Q CB -0.480 28.274 28.738 0.027 0.000 0.954 335 Q HN 0.617 nan 8.270 nan 0.000 0.502 336 D N 0.219 120.623 120.400 0.008 0.000 2.348 336 D HA 0.045 4.685 4.640 -0.000 0.000 0.211 336 D C 0.115 176.376 176.300 -0.065 0.000 0.998 336 D CA 0.221 54.206 54.000 -0.024 0.000 0.873 336 D CB 0.376 41.158 40.800 -0.030 0.000 0.925 336 D HN 0.279 nan 8.370 nan 0.000 0.524 337 I N 1.984 122.496 120.570 -0.097 0.000 2.395 337 I HA 0.042 4.212 4.170 -0.000 0.000 0.289 337 I C 1.224 177.212 176.117 -0.215 0.000 1.023 337 I CA -0.246 60.895 61.300 -0.266 0.000 1.350 337 I CB 1.167 38.761 38.000 -0.676 0.000 1.409 337 I HN -0.243 nan 8.210 nan 0.000 0.507 338 D N 5.019 125.305 120.400 -0.191 0.000 2.149 338 D HA 0.111 4.751 4.640 -0.000 0.000 0.206 338 D C 0.536 176.773 176.300 -0.105 0.000 0.967 338 D CA 1.454 55.391 54.000 -0.105 0.000 0.848 338 D CB 0.762 41.519 40.800 -0.073 0.000 0.998 338 D HN 0.247 nan 8.370 nan 0.000 0.474 339 I N 0.070 120.528 120.570 -0.188 0.000 2.647 339 I HA 0.305 4.475 4.170 -0.000 0.000 0.295 339 I C -0.935 175.041 176.117 -0.236 0.000 1.078 339 I CA -0.672 60.563 61.300 -0.108 0.000 1.048 339 I CB 1.699 39.678 38.000 -0.036 0.000 1.239 339 I HN -0.262 nan 8.210 nan 0.000 0.421 340 F N 3.253 123.217 119.950 0.024 0.000 2.467 340 F HA 0.392 4.919 4.527 0.000 0.000 0.336 340 F C 0.671 176.493 175.800 0.037 0.000 1.123 340 F CA -0.538 57.477 58.000 0.026 0.000 0.964 340 F CB 1.790 40.795 39.000 0.008 0.000 1.136 340 F HN 0.274 nan 8.300 nan 0.000 0.447 341 E N 5.324 125.648 120.200 0.205 0.000 2.121 341 E HA 0.344 4.694 4.350 -0.000 0.000 0.255 341 E C -0.626 176.059 176.600 0.143 0.000 0.906 341 E CA -0.151 56.336 56.400 0.144 0.000 0.745 341 E CB 1.300 31.059 29.700 0.100 0.000 1.155 341 E HN 0.527 nan 8.360 nan 0.000 0.424 342 I N 2.716 123.364 120.570 0.129 0.000 2.312 342 I HA 0.131 4.301 4.170 -0.000 0.000 0.290 342 I C 0.590 176.735 176.117 0.046 0.000 1.008 342 I CA -0.843 60.505 61.300 0.080 0.000 1.226 342 I CB 0.839 38.864 38.000 0.041 0.000 1.371 342 I HN 0.165 nan 8.210 nan 0.000 0.468 343 N N 5.284 123.987 118.700 0.005 0.000 2.412 343 N HA -0.057 4.683 4.740 -0.000 0.000 0.254 343 N C -0.329 175.136 175.510 -0.075 0.000 1.232 343 N CA 0.436 53.446 53.050 -0.065 0.000 0.880 343 N CB 0.542 38.937 38.487 -0.153 0.000 1.076 343 N HN 0.457 nan 8.380 nan 0.000 0.458 344 E N 2.514 122.669 120.200 -0.075 0.000 1.932 344 E HA 0.223 4.573 4.350 -0.000 0.000 0.259 344 E C 0.343 176.842 176.600 -0.168 0.000 1.099 344 E CA -0.422 55.965 56.400 -0.022 0.000 0.970 344 E CB 0.311 30.078 29.700 0.111 0.000 1.143 344 E HN 0.661 nan 8.360 nan 0.000 0.441 345 A N 3.181 125.856 122.820 -0.241 0.000 1.930 345 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 345 A C 0.220 177.357 177.584 -0.744 0.000 1.175 345 A CA 1.108 52.831 52.037 -0.523 0.000 0.627 345 A CB 0.094 18.848 19.000 -0.410 0.000 0.815 345 A HN 0.448 nan 8.150 nan 0.000 0.443 346 F N -4.921 115.048 119.950 0.031 0.000 2.703 346 F HA 0.532 5.059 4.527 -0.000 0.000 0.308 346 F C 0.969 176.801 175.800 0.055 0.000 1.126 346 F CA -0.648 57.391 58.000 0.064 0.000 0.959 346 F CB 0.967 39.987 39.000 0.033 0.000 1.297 346 F HN 0.005 nan 8.300 nan 0.000 0.441 347 A N 1.393 124.404 122.820 0.318 0.000 1.873 347 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 347 A C 2.251 179.840 177.584 0.009 0.000 1.193 347 A CA 2.617 54.765 52.037 0.184 0.000 0.629 347 A CB -1.231 17.933 19.000 0.273 0.000 0.826 347 A HN 1.049 nan 8.150 nan 0.000 0.447 348 A N 0.237 123.106 122.820 0.081 0.000 1.869 348 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 348 A C 2.178 179.791 177.584 0.049 0.000 1.203 348 A CA 2.827 54.891 52.037 0.046 0.000 0.638 348 A CB -0.972 18.042 19.000 0.023 0.000 0.831 348 A HN 0.788 nan 8.150 nan 0.000 0.450 349 Q N -0.061 119.787 119.800 0.081 0.000 2.096 349 Q HA 0.028 4.367 4.340 -0.000 0.000 0.204 349 Q C 1.907 177.932 176.000 0.042 0.000 0.982 349 Q CA 2.408 58.266 55.803 0.092 0.000 0.850 349 Q CB -1.020 27.804 28.738 0.143 0.000 0.901 349 Q HN 0.549 nan 8.270 nan 0.000 0.422 350 A N 0.987 123.773 122.820 -0.057 0.000 1.902 350 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 350 A C 2.218 179.592 177.584 -0.350 0.000 1.181 350 A CA 1.377 53.288 52.037 -0.210 0.000 0.623 350 A CB -0.775 18.037 19.000 -0.313 0.000 0.818 350 A HN 0.407 nan 8.150 nan 0.000 0.443 351 L N -2.099 118.883 121.223 -0.401 0.000 1.994 351 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 351 L C 2.608 179.451 176.870 -0.045 0.000 1.071 351 L CA 2.050 56.727 54.840 -0.272 0.000 0.745 351 L CB -0.734 41.267 42.059 -0.097 0.000 0.892 351 L HN 0.615 nan 8.230 nan 0.000 0.431 352 Y N 0.191 120.433 120.300 -0.097 0.000 2.151 352 Y HA -0.350 4.200 4.550 -0.000 0.000 0.284 352 Y C 2.645 178.443 175.900 -0.170 0.000 1.166 352 Y CA 1.840 59.878 58.100 -0.102 0.000 1.163 352 Y CB -0.521 37.875 38.460 -0.107 0.000 0.974 352 Y HN 0.200 nan 8.280 nan 0.000 0.511 353 C N 0.090 119.317 119.300 -0.121 0.000 2.457 353 C HA -0.112 4.348 4.460 -0.000 0.000 0.278 353 C C 2.719 177.484 174.990 -0.374 0.000 1.309 353 C CA 0.534 59.392 59.018 -0.266 0.000 1.735 353 C CB -1.232 26.435 27.740 -0.123 0.000 1.992 353 C HN 0.596 nan 8.230 nan 0.000 0.493 354 I N 0.646 120.995 120.570 -0.369 0.000 2.315 354 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 354 I C 2.499 178.323 176.117 -0.488 0.000 1.117 354 I CA 1.788 62.814 61.300 -0.456 0.000 1.404 354 I CB -1.394 36.292 38.000 -0.523 0.000 1.071 354 I HN 0.492 nan 8.210 nan 0.000 0.419 355 H N 1.113 119.992 119.070 -0.319 0.000 2.307 355 H HA -0.142 4.414 4.556 0.000 0.000 0.303 355 H C 2.181 177.275 175.328 -0.390 0.000 1.073 355 H CA 1.761 57.625 56.048 -0.305 0.000 1.338 355 H CB -0.179 29.433 29.762 -0.251 0.000 1.389 355 H HN 0.210 nan 8.280 nan 0.000 0.503 356 K N 1.380 121.474 120.400 -0.510 0.000 2.160 356 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 356 K C 1.937 178.311 176.600 -0.377 0.000 1.047 356 K CA 1.200 57.149 56.287 -0.564 0.000 0.930 356 K CB -0.420 31.520 32.500 -0.934 0.000 0.720 356 K HN 0.197 nan 8.250 nan 0.000 0.450 357 L N -0.679 120.327 121.223 -0.362 0.000 2.529 357 L HA 0.242 4.582 4.340 -0.000 0.000 0.223 357 L C 0.989 177.728 176.870 -0.220 0.000 1.113 357 L CA 0.295 54.965 54.840 -0.284 0.000 0.861 357 L CB 0.043 41.911 42.059 -0.318 0.000 1.012 357 L HN 0.589 nan 8.230 nan 0.000 0.461 358 G N 1.308 109.983 108.800 -0.209 0.000 2.182 358 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.248 358 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.248 358 G C 0.030 174.840 174.900 -0.150 0.000 1.042 358 G CA -0.213 44.802 45.100 -0.142 0.000 0.775 358 G HN 0.242 nan 8.290 nan 0.000 0.501 359 I N 0.767 121.189 120.570 -0.247 0.000 2.474 359 I HA 0.204 4.374 4.170 -0.000 0.000 0.287 359 I C 0.043 176.068 176.117 -0.153 0.000 1.048 359 I CA -0.635 60.508 61.300 -0.263 0.000 1.383 359 I CB 0.704 38.355 38.000 -0.582 0.000 1.412 359 I HN -0.017 nan 8.210 nan 0.000 0.531 360 D N 6.779 127.154 120.400 -0.042 0.000 2.363 360 D HA -0.005 4.635 4.640 -0.000 0.000 0.263 360 D C 1.201 177.501 176.300 -0.000 0.000 1.258 360 D CA -0.139 53.860 54.000 -0.002 0.000 0.907 360 D CB 0.952 41.777 40.800 0.042 0.000 1.107 360 D HN 0.346 nan 8.370 nan 0.000 0.495 361 L N 3.368 124.581 121.223 -0.017 0.000 2.034 361 L HA -0.264 4.076 4.340 -0.000 0.000 0.217 361 L C 1.572 178.467 176.870 0.043 0.000 1.077 361 L CA 1.764 56.611 54.840 0.011 0.000 0.769 361 L CB -0.670 41.412 42.059 0.038 0.000 0.890 361 L HN 0.451 nan 8.230 nan 0.000 0.435 362 N N -0.361 118.363 118.700 0.040 0.000 2.573 362 N HA -0.156 4.584 4.740 -0.000 0.000 0.187 362 N C 1.452 176.996 175.510 0.057 0.000 1.107 362 N CA 0.612 53.686 53.050 0.039 0.000 0.918 362 N CB -0.070 38.436 38.487 0.031 0.000 0.966 362 N HN 0.484 nan 8.380 nan 0.000 0.448 363 K N 0.385 120.838 120.400 0.087 0.000 2.352 363 K HA 0.156 4.476 4.320 -0.000 0.000 0.194 363 K C 0.016 176.727 176.600 0.185 0.000 1.038 363 K CA 0.045 56.416 56.287 0.140 0.000 1.023 363 K CB 0.792 33.426 32.500 0.224 0.000 0.840 363 K HN -0.066 nan 8.250 nan 0.000 0.519 364 V N 3.371 123.374 119.914 0.149 0.000 2.432 364 V HA 0.049 4.169 4.120 -0.000 0.000 0.275 364 V C -0.245 175.918 176.094 0.116 0.000 1.043 364 V CA -0.733 61.662 62.300 0.159 0.000 0.925 364 V CB 0.900 32.793 31.823 0.117 0.000 0.985 364 V HN 0.448 nan 8.190 nan 0.000 0.466 365 N N 4.617 123.388 118.700 0.118 0.000 2.686 365 N HA -0.144 4.596 4.740 -0.000 0.000 0.261 365 N C -1.634 173.902 175.510 0.043 0.000 1.001 365 N CA 0.807 53.904 53.050 0.078 0.000 0.764 365 N CB -0.601 37.927 38.487 0.067 0.000 0.898 365 N HN 0.584 nan 8.380 nan 0.000 0.544 366 P HA -0.071 nan 4.420 nan 0.000 0.242 366 P C 0.493 177.796 177.300 0.006 0.000 1.197 366 P CA 0.911 64.022 63.100 0.019 0.000 0.765 366 P CB 0.388 32.100 31.700 0.020 0.000 0.936 367 R N -0.491 120.032 120.500 0.038 0.000 2.596 367 R HA 0.419 4.759 4.340 -0.000 0.000 0.369 367 R C 0.458 176.838 176.300 0.134 0.000 1.042 367 R CA 0.223 56.349 56.100 0.043 0.000 1.120 367 R CB 0.771 31.104 30.300 0.055 0.000 1.353 367 R HN 0.137 nan 8.270 nan 0.000 0.564 368 G N -0.159 108.680 108.800 0.064 0.000 2.663 368 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.686 368 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.686 368 G C -0.344 174.571 174.900 0.024 0.000 1.246 368 G CA -0.686 44.434 45.100 0.033 0.000 0.795 368 G HN 0.322 nan 8.290 nan 0.000 0.627 369 G N -1.161 107.615 108.800 -0.040 0.000 3.013 369 G HA2 0.835 4.795 3.960 -0.000 0.000 0.278 369 G HA3 0.835 4.795 3.960 -0.000 0.000 0.278 369 G C 1.223 176.080 174.900 -0.071 0.000 1.353 369 G CA 0.812 45.894 45.100 -0.030 0.000 1.043 369 G HN 2.045 nan 8.290 nan 0.000 0.523 370 A N -0.769 122.014 122.820 -0.062 0.000 2.076 370 A HA -0.018 4.302 4.320 -0.000 0.000 0.220 370 A C 2.225 179.757 177.584 -0.088 0.000 1.160 370 A CA 1.241 53.236 52.037 -0.070 0.000 0.653 370 A CB -0.529 18.417 19.000 -0.090 0.000 0.801 370 A HN 0.527 nan 8.150 nan 0.000 0.455 371 I N -0.822 119.681 120.570 -0.111 0.000 2.286 371 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 371 I C 2.824 178.684 176.117 -0.427 0.000 1.115 371 I CA 1.227 62.436 61.300 -0.153 0.000 1.392 371 I CB -0.145 37.800 38.000 -0.092 0.000 1.065 371 I HN 0.388 nan 8.210 nan 0.000 0.418 372 A N 0.134 122.630 122.820 -0.540 0.000 1.901 372 A HA 0.084 4.404 4.320 -0.000 0.000 0.210 372 A C 2.154 179.607 177.584 -0.218 0.000 1.208 372 A CA 0.564 52.190 52.037 -0.685 0.000 0.644 372 A CB -0.516 18.192 19.000 -0.487 0.000 0.863 372 A HN 0.293 nan 8.150 nan 0.000 0.454 373 L N -0.935 120.208 121.223 -0.133 0.000 2.179 373 L HA 0.262 4.602 4.340 -0.000 0.000 0.208 373 L C 1.235 178.080 176.870 -0.041 0.000 1.096 373 L CA 0.690 55.485 54.840 -0.075 0.000 0.779 373 L CB -0.495 41.505 42.059 -0.099 0.000 0.922 373 L HN 0.624 nan 8.230 nan 0.000 0.443 374 G N -0.713 108.073 108.800 -0.023 0.000 2.650 374 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.686 374 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.686 374 G C -1.115 173.838 174.900 0.088 0.000 1.205 374 G CA -0.719 44.403 45.100 0.036 0.000 0.781 374 G HN 0.295 nan 8.290 nan 0.000 0.648 375 H N 2.168 121.226 119.070 -0.020 0.000 2.530 375 H HA 0.593 5.149 4.556 -0.000 0.000 0.246 375 H C -2.392 172.936 175.328 -0.001 0.000 1.346 375 H CA -2.453 53.580 56.048 -0.025 0.000 1.424 375 H CB 1.269 31.001 29.762 -0.051 0.000 1.445 375 H HN 0.347 nan 8.280 nan 0.000 0.511 376 P HA 0.047 nan 4.420 nan 0.000 0.266 376 P C 1.168 178.361 177.300 -0.179 0.000 1.586 376 P CA -0.161 62.878 63.100 -0.102 0.000 1.088 376 P CB 0.387 32.058 31.700 -0.049 0.000 1.584 377 L N 2.137 123.155 121.223 -0.341 0.000 2.252 377 L HA -0.349 3.991 4.340 -0.000 0.000 0.246 377 L C 2.446 179.255 176.870 -0.101 0.000 1.123 377 L CA 2.454 57.105 54.840 -0.316 0.000 0.844 377 L CB -2.208 39.722 42.059 -0.216 0.000 0.970 377 L HN 0.373 nan 8.230 nan 0.000 0.440 378 G N -1.840 106.923 108.800 -0.061 0.000 2.509 378 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 378 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 378 G C 1.650 176.530 174.900 -0.032 0.000 1.124 378 G CA 0.698 45.785 45.100 -0.022 0.000 0.776 378 G HN 0.606 nan 8.290 nan 0.000 0.547 379 C N 0.076 119.341 119.300 -0.058 0.000 2.492 379 C HA 0.078 4.538 4.460 -0.000 0.000 0.279 379 C C 3.041 178.006 174.990 -0.042 0.000 1.335 379 C CA 1.703 60.669 59.018 -0.086 0.000 1.734 379 C CB -0.870 26.800 27.740 -0.115 0.000 2.027 379 C HN 0.391 nan 8.230 nan 0.000 0.496 380 T N 0.711 115.280 114.554 0.024 0.000 2.653 380 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 380 T C 1.825 176.555 174.700 0.051 0.000 1.037 380 T CA 2.244 64.386 62.100 0.070 0.000 1.159 380 T CB -1.013 67.976 68.868 0.201 0.000 0.859 380 T HN 0.752 nan 8.240 nan 0.000 0.449 381 G N 0.826 109.669 108.800 0.071 0.000 2.440 381 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.218 381 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.218 381 G C 1.803 176.741 174.900 0.064 0.000 1.154 381 G CA 1.016 46.172 45.100 0.094 0.000 0.767 381 G HN 0.641 nan 8.290 nan 0.000 0.552 382 A N 0.256 123.084 122.820 0.014 0.000 1.897 382 A HA 0.100 4.420 4.320 -0.000 0.000 0.215 382 A C 2.373 179.919 177.584 -0.063 0.000 1.181 382 A CA 1.599 53.621 52.037 -0.024 0.000 0.620 382 A CB -0.406 18.551 19.000 -0.073 0.000 0.821 382 A HN 0.233 nan 8.150 nan 0.000 0.443 383 R N 0.268 120.721 120.500 -0.078 0.000 2.083 383 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 383 R C 2.098 178.360 176.300 -0.063 0.000 1.137 383 R CA 2.245 58.288 56.100 -0.094 0.000 0.951 383 R CB -0.648 29.600 30.300 -0.087 0.000 0.851 383 R HN 0.742 nan 8.270 nan 0.000 0.434 384 Q N -0.387 119.396 119.800 -0.028 0.000 2.234 384 Q HA -0.100 4.240 4.340 -0.000 0.000 0.206 384 Q C 2.121 178.092 176.000 -0.047 0.000 0.980 384 Q CA 1.473 57.269 55.803 -0.011 0.000 0.869 384 Q CB 0.028 28.787 28.738 0.034 0.000 0.912 384 Q HN 0.159 nan 8.270 nan 0.000 0.436 385 V N 0.685 120.547 119.914 -0.087 0.000 2.379 385 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 385 V C 2.243 178.231 176.094 -0.176 0.000 1.044 385 V CA 1.710 63.869 62.300 -0.235 0.000 1.036 385 V CB -0.880 30.784 31.823 -0.265 0.000 0.664 385 V HN 0.400 nan 8.190 nan 0.000 0.453 386 A N -0.225 122.537 122.820 -0.097 0.000 1.908 386 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 386 A C 2.392 179.963 177.584 -0.021 0.000 1.181 386 A CA 2.619 54.627 52.037 -0.048 0.000 0.627 386 A CB -1.012 17.963 19.000 -0.041 0.000 0.818 386 A HN 0.501 nan 8.150 nan 0.000 0.445 387 T N 0.083 114.626 114.554 -0.018 0.000 2.595 387 T HA -0.160 4.190 4.350 -0.000 0.000 0.264 387 T C 1.840 176.560 174.700 0.033 0.000 1.058 387 T CA 1.449 63.572 62.100 0.039 0.000 1.166 387 T CB -0.456 68.435 68.868 0.037 0.000 0.863 387 T HN 0.397 nan 8.240 nan 0.000 0.415 388 I N 0.701 121.267 120.570 -0.008 0.000 2.236 388 I HA -0.217 3.953 4.170 -0.000 0.000 0.249 388 I C 2.021 178.123 176.117 -0.025 0.000 1.102 388 I CA 1.423 62.713 61.300 -0.017 0.000 1.365 388 I CB -0.118 37.864 38.000 -0.029 0.000 1.051 388 I HN 0.259 nan 8.210 nan 0.000 0.420 389 L N -0.290 120.903 121.223 -0.051 0.000 2.275 389 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 389 L C 2.319 179.188 176.870 -0.001 0.000 1.119 389 L CA 0.880 55.700 54.840 -0.033 0.000 0.790 389 L CB -0.368 41.664 42.059 -0.046 0.000 0.919 389 L HN 0.142 nan 8.230 nan 0.000 0.443 390 R N -0.466 120.043 120.500 0.015 0.000 2.254 390 R HA 0.003 4.343 4.340 -0.000 0.000 0.195 390 R C 1.796 178.103 176.300 0.013 0.000 0.957 390 R CA 0.404 56.517 56.100 0.023 0.000 1.024 390 R CB 0.102 30.431 30.300 0.048 0.000 0.952 390 R HN 0.319 nan 8.270 nan 0.000 0.484 391 E N -0.194 120.015 120.200 0.015 0.000 2.442 391 E HA 0.062 4.412 4.350 -0.000 0.000 0.195 391 E C -0.183 176.417 176.600 0.000 0.000 1.030 391 E CA 0.264 56.669 56.400 0.008 0.000 0.869 391 E CB 0.340 30.052 29.700 0.020 0.000 0.857 391 E HN 0.184 nan 8.360 nan 0.000 0.505 392 L N 1.210 122.433 121.223 -0.000 0.000 2.344 392 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 392 L C 0.172 177.041 176.870 -0.002 0.000 1.035 392 L CA -0.715 54.123 54.840 -0.004 0.000 0.807 392 L CB 1.471 43.530 42.059 0.000 0.000 1.237 392 L HN -0.190 nan 8.230 nan 0.000 0.442 393 K N 0.856 121.254 120.400 -0.004 0.000 2.168 393 K HA 0.332 4.652 4.320 -0.000 0.000 0.239 393 K C -0.580 176.020 176.600 0.001 0.000 0.999 393 K CA -1.058 55.227 56.287 -0.002 0.000 0.900 393 K CB 1.118 33.615 32.500 -0.005 0.000 1.111 393 K HN 0.324 nan 8.250 nan 0.000 0.452 394 K N 1.683 122.084 120.400 0.002 0.000 2.511 394 K HA -0.215 4.105 4.320 -0.000 0.000 0.277 394 K C -0.592 176.009 176.600 0.002 0.000 1.025 394 K CA 1.087 57.377 56.287 0.004 0.000 1.112 394 K CB -0.046 32.456 32.500 0.003 0.000 0.859 394 K HN 0.617 nan 8.250 nan 0.000 0.485 395 D N 1.370 121.773 120.400 0.005 0.000 2.911 395 D HA -0.190 4.450 4.640 -0.000 0.000 0.199 395 D C -0.559 175.739 176.300 -0.004 0.000 1.041 395 D CA 1.145 55.146 54.000 0.001 0.000 1.013 395 D CB -0.531 40.268 40.800 -0.001 0.000 1.093 395 D HN 0.704 nan 8.370 nan 0.000 0.431 396 Q N 0.109 119.905 119.800 -0.005 0.000 2.306 396 Q HA 0.572 4.912 4.340 -0.000 0.000 0.241 396 Q C 0.590 176.579 176.000 -0.017 0.000 0.948 396 Q CA -0.002 55.791 55.803 -0.016 0.000 0.886 396 Q CB 1.494 30.221 28.738 -0.017 0.000 1.227 396 Q HN 0.318 nan 8.270 nan 0.000 0.457 397 I N 0.436 120.980 120.570 -0.043 0.000 2.441 397 I HA 0.551 4.721 4.170 -0.000 0.000 0.295 397 I C 0.258 176.315 176.117 -0.101 0.000 0.994 397 I CA -0.710 60.556 61.300 -0.056 0.000 1.144 397 I CB 1.863 39.815 38.000 -0.079 0.000 1.314 397 I HN 0.586 nan 8.210 nan 0.000 0.445 398 G N 4.411 113.181 108.800 -0.050 0.000 2.574 398 G HA2 0.693 4.653 3.960 -0.000 0.000 0.299 398 G HA3 0.693 4.653 3.960 -0.000 0.000 0.299 398 G C -1.489 173.388 174.900 -0.038 0.000 1.298 398 G CA -0.482 44.571 45.100 -0.079 0.000 0.952 398 G HN 0.335 nan 8.290 nan 0.000 0.477 399 V N 0.319 120.170 119.914 -0.104 0.000 2.656 399 V HA 0.596 4.716 4.120 -0.000 0.000 0.307 399 V C -0.502 175.677 176.094 0.141 0.000 1.051 399 V CA -0.661 61.641 62.300 0.003 0.000 0.893 399 V CB 1.966 33.773 31.823 -0.027 0.000 0.999 399 V HN 0.567 nan 8.190 nan 0.000 0.426 400 V N 3.398 123.436 119.914 0.207 0.000 2.448 400 V HA 0.777 4.897 4.120 -0.000 0.000 0.295 400 V C -0.129 176.062 176.094 0.161 0.000 1.025 400 V CA -0.093 62.337 62.300 0.217 0.000 0.859 400 V CB 1.832 33.848 31.823 0.321 0.000 0.988 400 V HN 0.912 nan 8.190 nan 0.000 0.431 401 S N 5.750 121.526 115.700 0.126 0.000 2.579 401 S HA 0.929 5.399 4.470 -0.000 0.000 0.272 401 S C -1.197 173.437 174.600 0.057 0.000 1.141 401 S CA -0.682 57.563 58.200 0.076 0.000 0.843 401 S CB 1.855 65.091 63.200 0.059 0.000 1.122 401 S HN 0.851 nan 8.310 nan 0.000 0.468 402 M N 1.793 121.416 119.600 0.039 0.000 2.603 402 M HA 0.531 5.011 4.480 -0.000 0.000 0.275 402 M C -0.591 175.727 176.300 0.030 0.000 1.226 402 M CA -0.847 54.467 55.300 0.023 0.000 0.870 402 M CB 0.026 32.642 32.600 0.027 0.000 1.716 402 M HN 0.816 nan 8.290 nan 0.000 0.482 403 C N 0.920 120.235 119.300 0.025 0.000 2.480 403 C HA 0.899 5.359 4.460 -0.000 0.000 0.358 403 C C 0.240 175.268 174.990 0.063 0.000 1.309 403 C CA -0.617 58.432 59.018 0.052 0.000 2.465 403 C CB 0.098 27.878 27.740 0.067 0.000 2.379 403 C HN 0.800 nan 8.230 nan 0.000 0.642 404 I N 1.004 121.618 120.570 0.074 0.000 2.571 404 I HA 0.450 4.620 4.170 -0.000 0.000 0.289 404 I C 0.791 176.953 176.117 0.075 0.000 1.115 404 I CA -0.204 61.145 61.300 0.081 0.000 1.045 404 I CB 1.506 39.551 38.000 0.077 0.000 1.238 404 I HN 1.055 nan 8.210 nan 0.000 0.424 405 G N 3.040 111.888 108.800 0.080 0.000 2.414 405 G HA2 0.373 4.333 3.960 -0.000 0.000 0.236 405 G HA3 0.373 4.333 3.960 -0.000 0.000 0.236 405 G C 0.776 175.704 174.900 0.048 0.000 1.293 405 G CA 0.968 46.108 45.100 0.066 0.000 0.869 405 G HN 1.118 nan 8.290 nan 0.000 0.556 406 T N -2.592 111.985 114.554 0.037 0.000 5.395 406 T HA 0.004 4.354 4.350 -0.000 0.000 0.267 406 T C 1.558 176.272 174.700 0.023 0.000 2.215 406 T CA 0.989 63.105 62.100 0.026 0.000 3.789 406 T CB -1.784 67.099 68.868 0.025 0.000 0.413 406 T HN 2.872 nan 8.240 nan 0.000 1.090 407 G N 0.729 109.546 108.800 0.029 0.000 2.756 407 G HA2 0.127 4.087 3.960 -0.000 0.000 0.272 407 G HA3 0.127 4.087 3.960 -0.000 0.000 0.272 407 G C -0.428 174.487 174.900 0.025 0.000 1.128 407 G CA 0.140 45.255 45.100 0.024 0.000 1.145 407 G HN 1.023 nan 8.290 nan 0.000 0.545 408 M N -0.801 118.823 119.600 0.040 0.000 2.683 408 M HA 0.715 5.195 4.480 -0.000 0.000 0.274 408 M C 0.254 176.586 176.300 0.052 0.000 1.272 408 M CA -0.298 55.027 55.300 0.041 0.000 0.833 408 M CB 2.525 35.153 32.600 0.046 0.000 1.708 408 M HN 0.801 nan 8.290 nan 0.000 0.463 409 G N 0.311 109.136 108.800 0.042 0.000 2.620 409 G HA2 0.883 4.843 3.960 -0.000 0.000 0.301 409 G HA3 0.883 4.843 3.960 -0.000 0.000 0.301 409 G C -2.154 172.730 174.900 -0.026 0.000 1.347 409 G CA -0.545 44.575 45.100 0.034 0.000 0.971 409 G HN 0.853 nan 8.290 nan 0.000 0.488 410 A N -0.338 122.448 122.820 -0.057 0.000 2.475 410 A HA 1.040 5.360 4.320 -0.000 0.000 0.301 410 A C -0.443 177.027 177.584 -0.191 0.000 1.059 410 A CA -0.167 51.743 52.037 -0.211 0.000 0.710 410 A CB 1.916 20.832 19.000 -0.140 0.000 1.288 410 A HN 2.366 nan 8.150 nan 0.000 0.408 411 A N 0.121 122.733 122.820 -0.347 0.000 2.517 411 A HA 0.901 5.221 4.320 -0.000 0.000 0.297 411 A C -0.513 176.931 177.584 -0.233 0.000 1.050 411 A CA 0.186 52.120 52.037 -0.171 0.000 0.694 411 A CB 1.111 20.048 19.000 -0.104 0.000 1.277 411 A HN 2.544 nan 8.150 nan 0.000 0.400 412 A N 1.449 124.226 122.820 -0.071 0.000 2.423 412 A HA 0.910 5.230 4.320 -0.000 0.000 0.304 412 A C -0.967 176.426 177.584 -0.320 0.000 1.104 412 A CA -0.494 51.444 52.037 -0.165 0.000 0.757 412 A CB 1.001 20.006 19.000 0.009 0.000 1.313 412 A HN 0.866 nan 8.150 nan 0.000 0.423 413 I N 0.427 120.643 120.570 -0.590 0.000 2.569 413 I HA 0.600 4.770 4.170 -0.000 0.000 0.296 413 I C -1.393 174.311 176.117 -0.689 0.000 1.028 413 I CA -0.334 60.706 61.300 -0.433 0.000 1.082 413 I CB 1.962 39.784 38.000 -0.296 0.000 1.264 413 I HN 0.605 nan 8.210 nan 0.000 0.429 414 F N 5.398 125.302 119.950 -0.077 0.000 2.588 414 F HA 0.612 5.139 4.527 -0.000 0.000 0.314 414 F C -0.368 175.406 175.800 -0.044 0.000 1.069 414 F CA -0.652 57.324 58.000 -0.039 0.000 0.931 414 F CB 1.808 40.815 39.000 0.011 0.000 1.260 414 F HN 0.068 nan 8.300 nan 0.000 0.465 415 I N 2.154 122.827 120.570 0.172 0.000 2.439 415 I HA 0.268 4.438 4.170 -0.000 0.000 0.285 415 I C -0.613 175.555 176.117 0.086 0.000 1.021 415 I CA -1.078 60.272 61.300 0.083 0.000 1.091 415 I CB 1.853 39.875 38.000 0.038 0.000 1.242 415 I HN 0.384 nan 8.210 nan 0.000 0.439 416 K N 6.246 126.680 120.400 0.057 0.000 2.451 416 K HA 0.150 4.470 4.320 -0.000 0.000 0.280 416 K C -0.224 176.395 176.600 0.032 0.000 1.020 416 K CA 0.569 56.880 56.287 0.040 0.000 1.008 416 K CB 0.506 33.019 32.500 0.022 0.000 0.917 416 K HN 0.470 nan 8.250 nan 0.000 0.478 417 E N 0.000 120.219 120.200 0.032 0.000 2.725 417 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 417 E CA 0.000 56.415 56.400 0.025 0.000 0.976 417 E CB 0.000 29.718 29.700 0.029 0.000 0.812 417 E HN 0.000 nan 8.360 nan 0.000 0.440