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 3kld_1_A DATA FIRST_RESID 23 DATA SEQUENCE GSGPVFVQEP SHVMFPLDSE EKKVKLScEV KGNPKPHIRW KLNGTDVDIX DATA SEQUENCE XXXRYSVVDG SLLINNPNKT QDAGTYQcIA TNSFGTIVSR EAKLQFAYLE DATA SEQUENCE NFKTRTRSTV SVRRGQGMVL LcGPPPHSGE LSYAWIFNEY PSYQDNRRFV DATA SEQUENCE SQETGNLYIA KVEKSDVGNY TcVVTNTVTN HKVLGPPTPL ILRNDGVMGE DATA SEQUENCE YEPKIEVQFP ETVPAEKGTT VKLEcFALGN PVPTILWRRA DGKPIARKAR DATA SEQUENCE RHKSNGILEI PNFQQEDAGS YEcVAENSRG KNVAKGQLTF YAQPNWVQII DATA SEQUENCE NDIHVAMEES VFWEcKANGR PKPTYRWLKN GDPLLTRDRI QIEQGTLNIT DATA SEQUENCE IVNLSDAGMY QcVAENKHGV IFSSAELSVI 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 23 G HA2 0.000 nan 3.960 nan 0.000 0.244 23 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 23 G C 0.000 174.644 174.900 -0.426 0.000 0.946 23 G CA 0.000 45.020 45.100 -0.134 0.000 0.502 24 S N -0.397 115.058 115.700 -0.409 0.000 2.535 24 S HA 0.833 5.303 4.470 0.001 0.000 0.272 24 S C 0.374 174.880 174.600 -0.157 0.000 1.149 24 S CA -0.153 57.810 58.200 -0.394 0.000 0.888 24 S CB 1.583 64.682 63.200 -0.167 0.000 1.110 24 S HN 1.401 nan 8.310 nan 0.000 0.463 25 G N 1.261 109.987 108.800 -0.124 0.000 2.651 25 G HA2 0.570 4.531 3.960 0.001 0.000 0.260 25 G HA3 0.570 4.531 3.960 0.001 0.000 0.260 25 G C -2.881 171.996 174.900 -0.038 0.000 1.216 25 G CA -1.562 43.567 45.100 0.048 0.000 0.913 25 G HN 0.598 nan 8.290 nan 0.000 0.535 26 P HA 0.271 nan 4.420 nan 0.000 0.271 26 P C -0.588 176.566 177.300 -0.243 0.000 1.216 26 P CA -0.221 62.765 63.100 -0.190 0.000 0.771 26 P CB 1.270 32.794 31.700 -0.293 0.000 0.864 27 V N 4.570 124.345 119.914 -0.231 0.000 2.588 27 V HA 0.328 4.448 4.120 0.001 0.000 0.304 27 V C -0.035 175.938 176.094 -0.201 0.000 1.042 27 V CA -0.601 61.585 62.300 -0.189 0.000 0.877 27 V CB 1.161 32.941 31.823 -0.073 0.000 0.996 27 V HN 0.365 nan 8.190 nan 0.000 0.425 28 F N 3.283 123.204 119.950 -0.047 0.000 2.506 28 F HA 0.171 4.699 4.527 0.001 0.000 0.371 28 F C 1.244 177.028 175.800 -0.027 0.000 1.078 28 F CA 0.192 58.163 58.000 -0.048 0.000 1.195 28 F CB 1.207 40.172 39.000 -0.058 0.000 1.099 28 F HN 0.293 nan 8.300 nan 0.000 0.548 29 V N 2.098 122.118 119.914 0.176 0.000 2.949 29 V HA -0.011 4.109 4.120 0.001 0.000 0.245 29 V C 0.286 176.441 176.094 0.103 0.000 1.086 29 V CA 0.822 63.186 62.300 0.106 0.000 1.097 29 V CB -0.022 31.843 31.823 0.069 0.000 0.762 29 V HN 0.729 nan 8.190 nan 0.000 0.470 30 Q N 0.562 120.440 119.800 0.130 0.000 2.878 30 Q HA 0.241 4.582 4.340 0.001 0.000 0.232 30 Q C -0.616 175.414 176.000 0.051 0.000 0.893 30 Q CA -0.092 55.756 55.803 0.074 0.000 0.742 30 Q CB 1.330 30.109 28.738 0.067 0.000 1.354 30 Q HN 0.551 nan 8.270 nan 0.000 0.466 31 E N 3.143 123.296 120.200 -0.079 0.000 2.354 31 E HA 0.224 4.575 4.350 0.001 0.000 0.269 31 E C -2.214 174.256 176.600 -0.218 0.000 1.036 31 E CA -1.943 54.234 56.400 -0.371 0.000 0.876 31 E CB 0.779 30.074 29.700 -0.675 0.000 1.009 31 E HN 0.295 nan 8.360 nan 0.000 0.416 32 P HA -0.079 nan 4.420 nan 0.000 0.259 32 P C -1.270 175.957 177.300 -0.121 0.000 1.163 32 P CA 0.556 63.634 63.100 -0.037 0.000 0.760 32 P CB 0.596 32.311 31.700 0.025 0.000 0.762 33 S N 2.237 117.883 115.700 -0.090 0.000 2.578 33 S HA 0.326 4.797 4.470 0.001 0.000 0.301 33 S C -0.322 174.204 174.600 -0.123 0.000 1.091 33 S CA -0.700 57.407 58.200 -0.155 0.000 1.032 33 S CB 0.467 63.623 63.200 -0.074 0.000 1.064 33 S HN 0.439 nan 8.310 nan 0.000 0.508 34 H N 0.878 119.963 119.070 0.025 0.000 3.140 34 H HA 0.097 4.653 4.556 0.001 0.000 0.316 34 H C -0.416 174.916 175.328 0.008 0.000 0.986 34 H CA 0.401 56.466 56.048 0.028 0.000 1.397 34 H CB -0.056 29.725 29.762 0.032 0.000 1.377 34 H HN 0.140 nan 8.280 nan 0.000 0.585 35 V N 5.601 125.586 119.914 0.117 0.000 2.487 35 V HA 0.124 4.245 4.120 0.001 0.000 0.298 35 V C 0.217 176.332 176.094 0.035 0.000 1.028 35 V CA -0.794 61.529 62.300 0.038 0.000 0.860 35 V CB 1.778 33.577 31.823 -0.039 0.000 0.991 35 V HN 0.596 nan 8.190 nan 0.000 0.427 36 M N 6.154 125.773 119.600 0.033 0.000 2.088 36 M HA 0.538 5.019 4.480 0.001 0.000 0.346 36 M C -1.377 174.939 176.300 0.026 0.000 1.111 36 M CA -0.319 54.996 55.300 0.026 0.000 1.017 36 M CB 0.774 33.386 32.600 0.020 0.000 1.568 36 M HN 0.533 nan 8.290 nan 0.000 0.445 37 F N 8.234 128.065 119.950 -0.198 0.000 2.427 37 F HA 0.714 5.242 4.527 0.001 0.000 0.346 37 F C -2.390 173.339 175.800 -0.118 0.000 1.120 37 F CA -2.319 55.541 58.000 -0.233 0.000 1.033 37 F CB 1.309 40.010 39.000 -0.499 0.000 1.126 37 F HN 0.461 nan 8.300 nan 0.000 0.462 38 P HA 0.131 nan 4.420 nan 0.000 0.281 38 P C 0.877 177.989 177.300 -0.313 0.000 1.286 38 P CA 0.087 63.017 63.100 -0.284 0.000 0.772 38 P CB 1.084 32.605 31.700 -0.298 0.000 0.862 39 L N 2.684 123.950 121.223 0.071 0.000 2.079 39 L HA -0.136 4.205 4.340 0.001 0.000 0.210 39 L C 0.747 177.659 176.870 0.070 0.000 1.081 39 L CA 1.636 56.609 54.840 0.222 0.000 0.752 39 L CB -0.031 42.175 42.059 0.244 0.000 0.896 39 L HN 0.305 nan 8.230 nan 0.000 0.433 40 D N -0.273 120.114 120.400 -0.022 0.000 2.881 40 D HA 0.060 4.701 4.640 0.001 0.000 0.240 40 D C 0.551 176.782 176.300 -0.114 0.000 1.249 40 D CA 0.106 54.074 54.000 -0.054 0.000 0.839 40 D CB 0.299 41.054 40.800 -0.075 0.000 1.042 40 D HN 0.147 nan 8.370 nan 0.000 0.475 41 S N 0.057 115.641 115.700 -0.193 0.000 2.596 41 S HA 0.078 4.549 4.470 0.001 0.000 0.262 41 S C 1.134 175.670 174.600 -0.107 0.000 1.218 41 S CA -0.082 57.968 58.200 -0.249 0.000 0.998 41 S CB 1.592 64.451 63.200 -0.568 0.000 1.060 41 S HN 0.217 nan 8.310 nan 0.000 0.552 42 E N -0.915 119.236 120.200 -0.082 0.000 2.514 42 E HA 0.194 4.545 4.350 0.001 0.000 0.215 42 E C -0.730 175.885 176.600 0.023 0.000 0.946 42 E CA -0.071 56.316 56.400 -0.021 0.000 1.038 42 E CB 0.346 30.029 29.700 -0.027 0.000 1.069 42 E HN 0.415 nan 8.360 nan 0.000 0.503 43 E N 1.743 121.971 120.200 0.045 0.000 2.194 43 E HA -0.005 4.345 4.350 0.001 0.000 0.284 43 E C 0.277 177.012 176.600 0.225 0.000 1.035 43 E CA -0.144 56.330 56.400 0.123 0.000 0.836 43 E CB 1.001 30.790 29.700 0.148 0.000 1.070 43 E HN 0.021 nan 8.360 nan 0.000 0.401 44 K N 3.935 124.414 120.400 0.131 0.000 2.591 44 K HA -0.018 4.303 4.320 0.001 0.000 0.197 44 K C -0.567 176.066 176.600 0.056 0.000 1.026 44 K CA 0.251 56.602 56.287 0.106 0.000 1.127 44 K CB -0.478 32.052 32.500 0.051 0.000 0.871 44 K HN 0.402 nan 8.250 nan 0.000 0.507 45 K N -1.128 119.320 120.400 0.080 0.000 2.546 45 K HA 0.466 4.787 4.320 0.001 0.000 0.264 45 K C -1.529 175.043 176.600 -0.047 0.000 0.937 45 K CA -1.078 55.193 56.287 -0.027 0.000 0.833 45 K CB 2.196 34.690 32.500 -0.010 0.000 1.378 45 K HN -0.118 nan 8.250 nan 0.000 0.432 46 V N 1.014 120.798 119.914 -0.217 0.000 2.864 46 V HA 0.592 4.712 4.120 0.001 0.000 0.314 46 V C -1.433 174.545 176.094 -0.192 0.000 1.073 46 V CA -0.721 61.448 62.300 -0.219 0.000 0.956 46 V CB 2.011 33.544 31.823 -0.483 0.000 1.023 46 V HN 0.876 nan 8.190 nan 0.000 0.435 47 K N 4.795 125.101 120.400 -0.157 0.000 2.345 47 K HA 0.640 4.960 4.320 0.001 0.000 0.255 47 K C -1.755 174.711 176.600 -0.223 0.000 0.934 47 K CA -0.692 55.491 56.287 -0.174 0.000 0.801 47 K CB 1.645 34.092 32.500 -0.089 0.000 1.137 47 K HN 0.739 nan 8.250 nan 0.000 0.424 48 L N 3.149 124.166 121.223 -0.343 0.000 2.298 48 L HA 0.326 4.667 4.340 0.001 0.000 0.284 48 L C -0.356 176.468 176.870 -0.078 0.000 1.013 48 L CA -0.680 53.955 54.840 -0.341 0.000 0.824 48 L CB 1.946 43.536 42.059 -0.783 0.000 1.221 48 L HN 0.624 nan 8.230 nan 0.000 0.418 49 S N 1.424 117.184 115.700 0.099 0.000 2.565 49 S HA 0.268 4.739 4.470 0.001 0.000 0.274 49 S C -0.248 174.568 174.600 0.359 0.000 1.309 49 S CA -0.464 57.846 58.200 0.184 0.000 1.043 49 S CB 1.163 64.415 63.200 0.087 0.000 0.939 49 S HN 0.733 nan 8.310 nan 0.000 0.504 50 c N 3.788 122.590 118.600 0.337 0.000 3.355 50 c HA 0.329 4.899 4.570 0.001 0.000 0.287 50 c C -0.435 173.758 174.090 0.172 0.000 1.036 50 c CA -0.498 55.953 56.329 0.204 0.000 1.246 50 c CB -1.075 41.443 42.510 0.014 0.000 1.754 50 c HN 0.983 nan 8.230 nan 0.000 0.592 51 E N 2.543 122.837 120.200 0.157 0.000 2.156 51 E HA 0.705 5.056 4.350 0.001 0.000 0.279 51 E C -1.078 175.590 176.600 0.112 0.000 0.965 51 E CA -0.193 56.276 56.400 0.115 0.000 0.789 51 E CB 1.511 31.266 29.700 0.091 0.000 1.098 51 E HN 0.518 nan 8.360 nan 0.000 0.397 52 V N 3.704 123.641 119.914 0.039 0.000 2.841 52 V HA 0.369 4.489 4.120 0.001 0.000 0.310 52 V C -0.766 175.300 176.094 -0.046 0.000 1.090 52 V CA -0.956 61.317 62.300 -0.046 0.000 0.930 52 V CB 2.100 33.821 31.823 -0.169 0.000 1.014 52 V HN 0.584 nan 8.190 nan 0.000 0.425 53 K N 2.009 122.372 120.400 -0.062 0.000 2.345 53 K HA 0.854 5.175 4.320 0.001 0.000 0.255 53 K C -0.357 176.212 176.600 -0.051 0.000 0.934 53 K CA 0.040 56.305 56.287 -0.036 0.000 0.801 53 K CB 1.682 34.173 32.500 -0.014 0.000 1.137 53 K HN 1.020 nan 8.250 nan 0.000 0.424 54 G N 2.118 110.903 108.800 -0.026 0.000 2.684 54 G HA2 0.381 4.341 3.960 0.001 0.000 0.290 54 G HA3 0.381 4.341 3.960 0.001 0.000 0.290 54 G C -1.650 173.269 174.900 0.031 0.000 1.425 54 G CA -0.844 44.252 45.100 -0.005 0.000 0.822 54 G HN 0.535 nan 8.290 nan 0.000 0.482 55 N N 1.702 120.440 118.700 0.063 0.000 2.531 55 N HA 0.408 5.149 4.740 0.001 0.000 0.268 55 N C -2.864 172.785 175.510 0.232 0.000 1.023 55 N CA -0.847 52.264 53.050 0.102 0.000 0.896 55 N CB 2.750 41.277 38.487 0.067 0.000 1.233 55 N HN 0.217 nan 8.380 nan 0.000 0.512 56 P HA 0.119 nan 4.420 nan 0.000 0.274 56 P C -0.060 177.285 177.300 0.076 0.000 1.246 56 P CA -0.456 62.706 63.100 0.104 0.000 0.795 56 P CB 1.255 32.999 31.700 0.073 0.000 1.006 57 K N 2.172 122.605 120.400 0.055 0.000 2.472 57 K HA 0.087 4.408 4.320 0.001 0.000 0.280 57 K C -2.095 174.531 176.600 0.045 0.000 1.028 57 K CA -0.892 55.419 56.287 0.040 0.000 1.045 57 K CB -0.732 31.793 32.500 0.041 0.000 0.902 57 K HN 0.292 nan 8.250 nan 0.000 0.478 58 P HA 0.047 nan 4.420 nan 0.000 0.274 58 P C -1.180 176.117 177.300 -0.005 0.000 1.231 58 P CA -0.162 62.900 63.100 -0.063 0.000 0.790 58 P CB 0.523 32.141 31.700 -0.137 0.000 0.951 59 H N 0.978 120.027 119.070 -0.036 0.000 2.502 59 H HA 0.617 5.173 4.556 0.001 0.000 0.338 59 H C -0.604 174.696 175.328 -0.047 0.000 1.155 59 H CA -0.815 55.217 56.048 -0.026 0.000 1.237 59 H CB 1.018 30.770 29.762 -0.017 0.000 1.534 59 H HN 0.256 nan 8.280 nan 0.000 0.523 60 I N 2.331 122.933 120.570 0.053 0.000 2.545 60 I HA 0.349 4.520 4.170 0.001 0.000 0.292 60 I C -0.164 175.946 176.117 -0.010 0.000 1.040 60 I CA -0.875 60.394 61.300 -0.052 0.000 1.068 60 I CB 2.203 40.171 38.000 -0.054 0.000 1.251 60 I HN 0.666 nan 8.210 nan 0.000 0.424 61 R N 3.663 124.101 120.500 -0.104 0.000 2.854 61 R HA 0.653 4.994 4.340 0.001 0.000 0.271 61 R C -2.217 173.978 176.300 -0.174 0.000 0.994 61 R CA -0.857 55.225 56.100 -0.031 0.000 0.945 61 R CB 1.625 31.940 30.300 0.026 0.000 1.194 61 R HN 0.418 nan 8.270 nan 0.000 0.476 62 W N 0.997 122.304 121.300 0.012 0.000 2.666 62 W HA 0.504 5.164 4.660 0.001 0.000 0.334 62 W C -0.365 176.157 176.519 0.005 0.000 1.051 62 W CA -0.658 56.697 57.345 0.016 0.000 1.224 62 W CB 2.297 31.759 29.460 0.005 0.000 1.405 62 W HN 0.345 nan 8.180 nan 0.000 0.513 63 K N 2.541 123.092 120.400 0.252 0.000 2.259 63 K HA 0.731 5.052 4.320 0.001 0.000 0.249 63 K C -1.598 175.036 176.600 0.056 0.000 0.942 63 K CA -1.254 55.105 56.287 0.120 0.000 0.816 63 K CB 2.208 34.735 32.500 0.044 0.000 1.155 63 K HN 0.328 nan 8.250 nan 0.000 0.428 64 L N 2.651 123.817 121.223 -0.095 0.000 2.439 64 L HA 0.404 4.745 4.340 0.001 0.000 0.270 64 L C -1.012 175.738 176.870 -0.199 0.000 0.972 64 L CA -0.103 54.529 54.840 -0.347 0.000 0.836 64 L CB 1.432 43.177 42.059 -0.524 0.000 1.255 64 L HN 0.624 nan 8.230 nan 0.000 0.404 65 N N 4.116 122.707 118.700 -0.181 0.000 2.716 65 N HA -0.196 4.545 4.740 0.001 0.000 0.250 65 N C 0.996 176.476 175.510 -0.050 0.000 1.033 65 N CA 1.721 54.718 53.050 -0.089 0.000 0.727 65 N CB -1.200 37.239 38.487 -0.079 0.000 0.950 65 N HN 1.401 nan 8.380 nan 0.000 0.541 66 G N -2.607 106.170 108.800 -0.038 0.000 2.162 66 G HA2 -0.313 3.648 3.960 0.001 0.000 0.260 66 G HA3 -0.313 3.648 3.960 0.001 0.000 0.260 66 G C 0.215 175.110 174.900 -0.009 0.000 0.976 66 G CA 1.199 46.290 45.100 -0.014 0.000 0.655 66 G HN 1.201 nan 8.290 nan 0.000 0.533 67 T N -1.868 112.677 114.554 -0.015 0.000 2.924 67 T HA 0.617 4.968 4.350 0.001 0.000 0.291 67 T C -0.683 174.024 174.700 0.012 0.000 1.045 67 T CA -0.361 61.739 62.100 0.000 0.000 1.015 67 T CB 2.472 71.340 68.868 0.000 0.000 1.103 67 T HN 0.003 nan 8.240 nan 0.000 0.496 68 D N 0.751 121.168 120.400 0.029 0.000 2.345 68 D HA 0.395 5.035 4.640 0.001 0.000 0.247 68 D C -0.234 176.103 176.300 0.061 0.000 1.108 68 D CA -0.191 53.839 54.000 0.050 0.000 0.894 68 D CB 0.968 41.799 40.800 0.052 0.000 1.203 68 D HN 0.405 nan 8.370 nan 0.000 0.430 69 V N 2.993 122.955 119.914 0.080 0.000 2.370 69 V HA 0.031 4.151 4.120 0.001 0.000 0.257 69 V C 0.146 176.297 176.094 0.095 0.000 1.064 69 V CA -0.224 62.109 62.300 0.055 0.000 0.975 69 V CB 0.655 32.461 31.823 -0.029 0.000 1.067 69 V HN 0.495 nan 8.190 nan 0.000 0.485 70 D N 5.316 125.791 120.400 0.126 0.000 2.422 70 D HA 0.217 4.858 4.640 0.001 0.000 0.227 70 D C 0.326 176.734 176.300 0.180 0.000 1.190 70 D CA -0.316 53.760 54.000 0.126 0.000 0.905 70 D CB 0.635 41.494 40.800 0.099 0.000 1.034 70 D HN 0.274 nan 8.370 nan 0.000 0.507 77 Y N 1.560 121.841 120.300 -0.032 0.000 2.299 77 Y HA 0.492 5.043 4.550 0.001 0.000 0.326 77 Y C 0.703 176.577 175.900 -0.043 0.000 1.164 77 Y CA -0.381 57.688 58.100 -0.051 0.000 1.234 77 Y CB 1.708 40.144 38.460 -0.040 0.000 1.219 77 Y HN 0.077 nan 8.280 nan 0.000 0.497 78 S N 1.968 117.741 115.700 0.122 0.000 2.599 78 S HA 0.669 5.139 4.470 0.001 0.000 0.294 78 S C -1.746 172.860 174.600 0.010 0.000 1.094 78 S CA -0.715 57.515 58.200 0.050 0.000 0.931 78 S CB 1.735 64.948 63.200 0.022 0.000 1.093 78 S HN 0.475 nan 8.310 nan 0.000 0.488 79 V N 4.574 124.507 119.914 0.033 0.000 2.462 79 V HA 0.680 4.801 4.120 0.001 0.000 0.288 79 V C -1.536 174.597 176.094 0.064 0.000 1.020 79 V CA -0.287 62.043 62.300 0.051 0.000 0.857 79 V CB 1.218 33.111 31.823 0.117 0.000 1.013 79 V HN 0.733 nan 8.190 nan 0.000 0.431 80 V N 6.043 125.990 119.914 0.055 0.000 2.409 80 V HA 0.519 4.639 4.120 0.001 0.000 0.291 80 V C 0.089 176.226 176.094 0.071 0.000 1.020 80 V CA -0.486 61.846 62.300 0.053 0.000 0.848 80 V CB 1.357 33.199 31.823 0.032 0.000 0.990 80 V HN 0.991 nan 8.190 nan 0.000 0.430 81 D N 4.495 124.937 120.400 0.071 0.000 2.708 81 D HA -0.193 4.447 4.640 0.001 0.000 0.236 81 D C 1.372 177.735 176.300 0.105 0.000 1.146 81 D CA 1.869 55.914 54.000 0.074 0.000 0.662 81 D CB -1.114 39.721 40.800 0.060 0.000 1.059 81 D HN 1.354 nan 8.370 nan 0.000 0.428 82 G N -1.627 107.257 108.800 0.139 0.000 2.267 82 G HA2 -0.341 3.620 3.960 0.001 0.000 0.257 82 G HA3 -0.341 3.620 3.960 0.001 0.000 0.257 82 G C 0.518 175.649 174.900 0.384 0.000 0.998 82 G CA 0.520 45.745 45.100 0.208 0.000 0.620 82 G HN 0.623 nan 8.290 nan 0.000 0.529 83 S N 0.656 116.511 115.700 0.258 0.000 2.513 83 S HA 0.564 5.035 4.470 0.001 0.000 0.276 83 S C 0.043 174.652 174.600 0.015 0.000 1.254 83 S CA -0.452 57.885 58.200 0.227 0.000 1.053 83 S CB 1.818 65.082 63.200 0.107 0.000 0.958 83 S HN 0.824 nan 8.310 nan 0.000 0.491 84 L N 5.486 126.497 121.223 -0.353 0.000 2.315 84 L HA 0.401 4.741 4.340 0.001 0.000 0.283 84 L C -1.034 175.576 176.870 -0.432 0.000 1.089 84 L CA 0.282 54.711 54.840 -0.686 0.000 0.833 84 L CB -0.299 40.788 42.059 -1.621 0.000 1.170 84 L HN 0.544 nan 8.230 nan 0.000 0.442 85 L N 7.082 128.165 121.223 -0.234 0.000 2.287 85 L HA 0.493 4.834 4.340 0.001 0.000 0.287 85 L C -0.464 176.363 176.870 -0.071 0.000 1.022 85 L CA -0.484 54.271 54.840 -0.142 0.000 0.814 85 L CB 1.339 43.357 42.059 -0.069 0.000 1.217 85 L HN 0.534 nan 8.230 nan 0.000 0.420 86 I N 3.022 123.541 120.570 -0.085 0.000 2.330 86 I HA 0.257 4.427 4.170 0.001 0.000 0.289 86 I C -0.236 175.851 176.117 -0.050 0.000 1.001 86 I CA -0.481 60.823 61.300 0.007 0.000 1.193 86 I CB 1.374 39.384 38.000 0.016 0.000 1.345 86 I HN 0.548 nan 8.210 nan 0.000 0.461 87 N N 5.184 123.863 118.700 -0.035 0.000 2.529 87 N HA 0.228 4.968 4.740 0.001 0.000 0.278 87 N C -0.210 175.267 175.510 -0.055 0.000 1.146 87 N CA 0.050 53.074 53.050 -0.044 0.000 0.980 87 N CB 0.357 38.824 38.487 -0.034 0.000 1.124 87 N HN 0.424 nan 8.380 nan 0.000 0.458 88 N N -0.325 118.353 118.700 -0.036 0.000 2.708 88 N HA -0.121 4.620 4.740 0.001 0.000 0.255 88 N C -2.644 172.847 175.510 -0.031 0.000 1.046 88 N CA 0.115 53.151 53.050 -0.024 0.000 0.715 88 N CB -1.322 37.143 38.487 -0.036 0.000 0.895 88 N HN 0.481 nan 8.380 nan 0.000 0.545 89 P HA 0.055 nan 4.420 nan 0.000 0.266 89 P C 0.145 177.517 177.300 0.119 0.000 1.195 89 P CA 0.404 63.506 63.100 0.003 0.000 0.768 89 P CB 0.557 32.043 31.700 -0.356 0.000 0.838 90 N N 2.390 121.109 118.700 0.032 0.000 2.549 90 N HA 0.039 4.780 4.740 0.001 0.000 0.290 90 N C 0.772 175.870 175.510 -0.687 0.000 1.122 90 N CA -0.437 52.472 53.050 -0.236 0.000 0.885 90 N CB 1.029 39.430 38.487 -0.144 0.000 1.455 90 N HN 0.261 nan 8.380 nan 0.000 0.521 91 K N 1.931 121.590 120.400 -1.237 0.000 2.090 91 K HA -0.238 4.082 4.320 0.001 0.000 0.218 91 K C 0.873 177.115 176.600 -0.597 0.000 1.055 91 K CA 2.535 57.987 56.287 -1.392 0.000 0.941 91 K CB -0.052 31.988 32.500 -0.766 0.000 0.722 91 K HN 0.567 nan 8.250 nan 0.000 0.458 92 T N 1.115 115.449 114.554 -0.366 0.000 2.652 92 T HA -0.172 4.179 4.350 0.001 0.000 0.267 92 T C 1.883 176.508 174.700 -0.126 0.000 1.039 92 T CA 1.949 63.933 62.100 -0.193 0.000 1.153 92 T CB -0.168 68.612 68.868 -0.147 0.000 0.863 92 T HN 0.480 nan 8.240 nan 0.000 0.428 93 Q N 0.074 119.807 119.800 -0.112 0.000 2.302 93 Q HA 0.032 4.372 4.340 0.001 0.000 0.202 93 Q C 1.472 177.507 176.000 0.060 0.000 0.936 93 Q CA 0.754 56.542 55.803 -0.025 0.000 0.886 93 Q CB 0.276 28.999 28.738 -0.026 0.000 0.986 93 Q HN 0.418 nan 8.270 nan 0.000 0.487 94 D N 0.495 120.932 120.400 0.062 0.000 2.431 94 D HA 0.125 4.766 4.640 0.001 0.000 0.227 94 D C 0.223 176.769 176.300 0.409 0.000 1.030 94 D CA 0.208 54.381 54.000 0.288 0.000 0.897 94 D CB 0.096 41.132 40.800 0.393 0.000 1.058 94 D HN 0.122 nan 8.370 nan 0.000 0.500 95 A N 0.591 123.583 122.820 0.287 0.000 2.520 95 A HA 0.519 4.839 4.320 0.001 0.000 0.245 95 A C 0.919 178.628 177.584 0.209 0.000 1.072 95 A CA 1.028 53.291 52.037 0.378 0.000 0.761 95 A CB 0.064 19.196 19.000 0.219 0.000 1.004 95 A HN 0.303 nan 8.150 nan 0.000 0.499 96 G N 0.356 109.291 108.800 0.225 0.000 2.345 96 G HA2 0.426 4.387 3.960 0.001 0.000 0.285 96 G HA3 0.426 4.387 3.960 0.001 0.000 0.285 96 G C -0.735 174.213 174.900 0.080 0.000 1.297 96 G CA -0.154 44.986 45.100 0.067 0.000 0.875 96 G HN 0.926 nan 8.290 nan 0.000 0.506 97 T N 1.244 115.778 114.554 -0.033 0.000 2.743 97 T HA 0.624 4.974 4.350 0.001 0.000 0.292 97 T C -0.966 173.698 174.700 -0.059 0.000 0.972 97 T CA 0.163 62.292 62.100 0.049 0.000 0.967 97 T CB 0.541 69.440 68.868 0.051 0.000 0.926 97 T HN 0.359 nan 8.240 nan 0.000 0.459 98 Y N 1.799 122.176 120.300 0.128 0.000 2.488 98 Y HA 0.633 5.184 4.550 0.001 0.000 0.325 98 Y C 0.557 176.559 175.900 0.170 0.000 1.204 98 Y CA -0.916 57.296 58.100 0.186 0.000 1.229 98 Y CB 1.529 40.142 38.460 0.255 0.000 1.274 98 Y HN 0.501 nan 8.280 nan 0.000 0.493 99 Q N 1.114 121.116 119.800 0.336 0.000 2.386 99 Q HA 0.590 4.931 4.340 0.001 0.000 0.274 99 Q C -1.725 174.165 176.000 -0.183 0.000 1.011 99 Q CA -0.774 55.055 55.803 0.044 0.000 0.867 99 Q CB 1.833 30.562 28.738 -0.015 0.000 1.409 99 Q HN 0.945 nan 8.270 nan 0.000 0.395 100 c N 1.613 119.906 118.600 -0.513 0.000 2.595 100 c HA 0.952 5.522 4.570 0.001 0.000 0.338 100 c C -0.494 173.381 174.090 -0.358 0.000 1.219 100 c CA -0.690 55.182 56.329 -0.761 0.000 1.811 100 c CB 0.293 41.950 42.510 -1.421 0.000 2.313 100 c HN 0.807 nan 8.230 nan 0.000 0.499 101 I N 1.830 122.210 120.570 -0.317 0.000 2.534 101 I HA 0.621 4.792 4.170 0.001 0.000 0.288 101 I C 0.102 176.085 176.117 -0.225 0.000 1.077 101 I CA -0.406 60.773 61.300 -0.201 0.000 1.051 101 I CB 1.774 39.682 38.000 -0.152 0.000 1.234 101 I HN 1.036 nan 8.210 nan 0.000 0.425 102 A N 4.039 126.711 122.820 -0.248 0.000 2.342 102 A HA 0.936 5.256 4.320 0.001 0.000 0.323 102 A C -0.560 176.831 177.584 -0.322 0.000 1.125 102 A CA -0.454 51.403 52.037 -0.299 0.000 0.785 102 A CB 1.420 20.202 19.000 -0.363 0.000 1.221 102 A HN 0.603 nan 8.150 nan 0.000 0.463 103 T N 2.568 116.862 114.554 -0.433 0.000 2.916 103 T HA 0.583 4.934 4.350 0.001 0.000 0.298 103 T C -0.490 173.921 174.700 -0.483 0.000 1.031 103 T CA -0.708 61.117 62.100 -0.458 0.000 0.993 103 T CB 1.404 69.941 68.868 -0.552 0.000 1.045 103 T HN 0.971 nan 8.240 nan 0.000 0.454 104 N N -0.188 118.384 118.700 -0.214 0.000 3.283 104 N HA 0.343 5.083 4.740 0.001 0.000 0.338 104 N C 1.248 176.718 175.510 -0.066 0.000 1.517 104 N CA -0.423 52.577 53.050 -0.084 0.000 0.733 104 N CB 0.095 38.584 38.487 0.002 0.000 1.797 104 N HN 0.363 nan 8.380 nan 0.000 0.637 105 S N -0.989 114.639 115.700 -0.120 0.000 2.419 105 S HA -0.065 4.406 4.470 0.001 0.000 0.233 105 S C 1.213 175.562 174.600 -0.418 0.000 1.016 105 S CA 0.879 58.901 58.200 -0.298 0.000 0.974 105 S CB -0.872 62.058 63.200 -0.451 0.000 0.786 105 S HN 0.459 nan 8.310 nan 0.000 0.492 106 F N 2.456 122.394 119.950 -0.020 0.000 2.710 106 F HA 0.453 4.981 4.527 0.001 0.000 0.298 106 F C 1.719 177.499 175.800 -0.033 0.000 1.137 106 F CA 0.286 58.276 58.000 -0.017 0.000 1.444 106 F CB -0.265 38.728 39.000 -0.011 0.000 1.111 106 F HN 0.564 nan 8.300 nan 0.000 0.580 107 G N -0.785 108.043 108.800 0.047 0.000 2.302 107 G HA2 0.214 4.175 3.960 0.001 0.000 0.276 107 G HA3 0.214 4.175 3.960 0.001 0.000 0.276 107 G C -1.192 173.664 174.900 -0.074 0.000 1.316 107 G CA -0.870 44.218 45.100 -0.019 0.000 0.988 107 G HN -0.131 nan 8.290 nan 0.000 0.479 108 T N 0.747 115.244 114.554 -0.096 0.000 2.861 108 T HA 0.678 5.029 4.350 0.001 0.000 0.287 108 T C 0.044 174.664 174.700 -0.133 0.000 1.003 108 T CA -0.014 62.005 62.100 -0.134 0.000 0.977 108 T CB 1.161 69.958 68.868 -0.118 0.000 0.996 108 T HN 1.126 nan 8.240 nan 0.000 0.448 109 I N 0.359 120.821 120.570 -0.180 0.000 2.740 109 I HA 0.895 5.066 4.170 0.001 0.000 0.303 109 I C -0.308 175.733 176.117 -0.127 0.000 1.044 109 I CA -1.494 59.712 61.300 -0.156 0.000 1.064 109 I CB 1.937 39.797 38.000 -0.233 0.000 1.249 109 I HN 0.424 nan 8.210 nan 0.000 0.433 110 V N 1.744 121.598 119.914 -0.101 0.000 2.547 110 V HA 0.681 4.801 4.120 0.001 0.000 0.299 110 V C 0.433 176.387 176.094 -0.233 0.000 1.040 110 V CA -0.208 61.992 62.300 -0.167 0.000 0.913 110 V CB 1.162 32.840 31.823 -0.242 0.000 0.992 110 V HN 1.016 nan 8.190 nan 0.000 0.449 111 S N 4.904 120.473 115.700 -0.219 0.000 2.614 111 S HA 0.527 4.997 4.470 0.001 0.000 0.265 111 S C 0.364 174.568 174.600 -0.660 0.000 1.303 111 S CA -0.713 57.175 58.200 -0.518 0.000 1.000 111 S CB 0.551 63.427 63.200 -0.541 0.000 0.935 111 S HN 1.168 nan 8.310 nan 0.000 0.551 112 R N 0.712 120.911 120.500 -0.501 0.000 2.827 112 R HA 0.256 4.597 4.340 0.001 0.000 0.269 112 R C -0.288 175.949 176.300 -0.105 0.000 1.048 112 R CA -0.372 55.646 56.100 -0.138 0.000 1.173 112 R CB -0.066 30.218 30.300 -0.025 0.000 1.070 112 R HN 0.677 nan 8.270 nan 0.000 0.498 113 E N -0.130 120.103 120.200 0.054 0.000 2.366 113 E HA 0.350 4.701 4.350 0.001 0.000 0.266 113 E C -0.735 175.896 176.600 0.051 0.000 1.051 113 E CA -0.371 56.075 56.400 0.076 0.000 0.884 113 E CB 1.384 31.164 29.700 0.133 0.000 1.006 113 E HN 0.654 nan 8.360 nan 0.000 0.417 114 A N 3.203 126.092 122.820 0.115 0.000 2.374 114 A HA 0.363 4.683 4.320 0.001 0.000 0.305 114 A C -0.834 176.954 177.584 0.340 0.000 1.053 114 A CA -0.853 51.236 52.037 0.087 0.000 0.726 114 A CB 1.012 20.014 19.000 0.003 0.000 1.229 114 A HN 0.473 nan 8.150 nan 0.000 0.431 115 K N 1.466 122.201 120.400 0.558 0.000 2.201 115 K HA 0.411 4.732 4.320 0.001 0.000 0.278 115 K C -1.035 175.739 176.600 0.290 0.000 1.027 115 K CA -0.623 55.882 56.287 0.364 0.000 0.909 115 K CB 1.665 34.289 32.500 0.207 0.000 1.062 115 K HN 0.509 nan 8.250 nan 0.000 0.465 116 L N 3.471 124.870 121.223 0.293 0.000 2.264 116 L HA 0.203 4.544 4.340 0.001 0.000 0.289 116 L C -0.624 176.367 176.870 0.201 0.000 1.044 116 L CA 0.223 55.164 54.840 0.169 0.000 0.807 116 L CB 1.059 43.219 42.059 0.169 0.000 1.192 116 L HN 0.630 nan 8.230 nan 0.000 0.425 117 Q N 4.563 124.427 119.800 0.106 0.000 2.340 117 Q HA 0.434 4.774 4.340 0.001 0.000 0.268 117 Q C -1.782 174.309 176.000 0.151 0.000 1.031 117 Q CA -0.578 55.340 55.803 0.193 0.000 0.804 117 Q CB 1.325 30.139 28.738 0.127 0.000 1.286 117 Q HN 0.643 nan 8.270 nan 0.000 0.448 118 F N 2.140 122.210 119.950 0.200 0.000 2.371 118 F HA 0.527 5.054 4.527 0.001 0.000 0.363 118 F C 0.419 176.392 175.800 0.290 0.000 1.122 118 F CA -0.772 57.394 58.000 0.277 0.000 1.129 118 F CB 1.481 40.637 39.000 0.260 0.000 1.173 118 F HN 0.589 nan 8.300 nan 0.000 0.489 119 A N 5.523 128.538 122.820 0.324 0.000 2.276 119 A HA 0.619 4.940 4.320 0.001 0.000 0.300 119 A C -1.144 176.612 177.584 0.287 0.000 1.235 119 A CA -0.301 51.863 52.037 0.212 0.000 0.867 119 A CB -0.200 18.855 19.000 0.092 0.000 1.137 119 A HN 0.809 nan 8.150 nan 0.000 0.527 120 Y N 0.098 120.466 120.300 0.113 0.000 2.670 120 Y HA 0.750 5.300 4.550 0.001 0.000 0.334 120 Y C -1.627 174.346 175.900 0.122 0.000 1.185 120 Y CA -1.829 56.332 58.100 0.101 0.000 1.053 120 Y CB 1.464 39.986 38.460 0.103 0.000 1.298 120 Y HN 0.677 nan 8.280 nan 0.000 0.459 121 L N 2.017 123.379 121.223 0.233 0.000 2.596 121 L HA 0.488 4.828 4.340 0.001 0.000 0.265 121 L C -1.162 175.844 176.870 0.226 0.000 0.962 121 L CA -0.389 54.540 54.840 0.149 0.000 0.891 121 L CB 1.817 43.926 42.059 0.084 0.000 1.248 121 L HN 0.867 nan 8.230 nan 0.000 0.410 122 E N 2.590 122.914 120.200 0.207 0.000 2.391 122 E HA 0.239 4.590 4.350 0.001 0.000 0.255 122 E C -0.349 176.300 176.600 0.082 0.000 1.187 122 E CA -0.569 55.925 56.400 0.156 0.000 0.941 122 E CB 0.589 30.375 29.700 0.143 0.000 1.010 122 E HN 0.568 nan 8.360 nan 0.000 0.458 123 N N 0.438 119.200 118.700 0.103 0.000 2.424 123 N HA 0.113 4.853 4.740 0.001 0.000 0.257 123 N C -0.526 175.044 175.510 0.100 0.000 1.250 123 N CA 0.034 53.165 53.050 0.134 0.000 0.946 123 N CB 0.223 38.799 38.487 0.147 0.000 1.175 123 N HN 0.213 nan 8.380 nan 0.000 0.477 124 F N 1.323 121.287 119.950 0.024 0.000 2.529 124 F HA 0.035 4.562 4.527 0.001 0.000 0.365 124 F C 1.944 177.760 175.800 0.027 0.000 1.102 124 F CA 0.197 58.209 58.000 0.020 0.000 1.271 124 F CB 0.670 39.670 39.000 -0.001 0.000 1.120 124 F HN 0.424 nan 8.300 nan 0.000 0.579 125 K N 1.192 121.697 120.400 0.175 0.000 1.968 125 K HA -0.089 4.232 4.320 0.001 0.000 0.215 125 K C 0.546 177.216 176.600 0.117 0.000 1.040 125 K CA 1.236 57.592 56.287 0.116 0.000 0.959 125 K CB -0.340 32.207 32.500 0.078 0.000 0.740 125 K HN 0.773 nan 8.250 nan 0.000 0.443 126 T N 0.333 114.957 114.554 0.116 0.000 2.902 126 T HA 0.111 4.462 4.350 0.001 0.000 0.301 126 T C 0.490 175.240 174.700 0.082 0.000 1.012 126 T CA -0.158 61.995 62.100 0.087 0.000 1.151 126 T CB 0.947 69.863 68.868 0.079 0.000 0.946 126 T HN 0.159 nan 8.240 nan 0.000 0.542 127 R N 1.029 121.561 120.500 0.053 0.000 2.426 127 R HA 0.293 4.634 4.340 0.001 0.000 0.263 127 R C 0.592 176.901 176.300 0.016 0.000 0.961 127 R CA -0.002 56.116 56.100 0.031 0.000 1.086 127 R CB 0.375 30.692 30.300 0.028 0.000 1.186 127 R HN 0.882 nan 8.270 nan 0.000 0.537 128 T N -0.789 113.779 114.554 0.024 0.000 3.071 128 T HA 0.458 4.809 4.350 0.001 0.000 0.311 128 T C -1.136 173.580 174.700 0.027 0.000 1.042 128 T CA -0.956 61.157 62.100 0.021 0.000 1.028 128 T CB 0.880 69.762 68.868 0.023 0.000 1.068 128 T HN -0.124 nan 8.240 nan 0.000 0.451 129 R N 3.097 123.612 120.500 0.025 0.000 2.460 129 R HA 0.604 4.945 4.340 0.001 0.000 0.303 129 R C 0.068 176.389 176.300 0.035 0.000 0.968 129 R CA -0.731 55.389 56.100 0.035 0.000 0.889 129 R CB 1.715 32.040 30.300 0.042 0.000 1.123 129 R HN 0.752 nan 8.270 nan 0.000 0.455 130 S N 0.735 116.455 115.700 0.033 0.000 2.576 130 S HA 0.104 4.574 4.470 0.001 0.000 0.276 130 S C 0.172 174.792 174.600 0.035 0.000 1.339 130 S CA -0.048 58.170 58.200 0.030 0.000 1.039 130 S CB 0.604 63.818 63.200 0.024 0.000 0.902 130 S HN 0.371 nan 8.310 nan 0.000 0.516 131 T N 2.699 117.273 114.554 0.034 0.000 2.916 131 T HA 0.293 4.643 4.350 0.001 0.000 0.303 131 T C -0.058 174.660 174.700 0.030 0.000 1.025 131 T CA -0.116 62.007 62.100 0.039 0.000 1.142 131 T CB 0.227 69.117 68.868 0.036 0.000 0.947 131 T HN 0.316 nan 8.240 nan 0.000 0.544 132 V N 3.067 122.999 119.914 0.030 0.000 2.769 132 V HA 0.705 4.826 4.120 0.001 0.000 0.312 132 V C -0.018 176.083 176.094 0.012 0.000 1.061 132 V CA -0.918 61.389 62.300 0.012 0.000 0.931 132 V CB 2.241 34.061 31.823 -0.005 0.000 1.010 132 V HN 0.998 nan 8.190 nan 0.000 0.433 133 S N 2.993 118.695 115.700 0.003 0.000 2.502 133 S HA 0.888 5.359 4.470 0.001 0.000 0.304 133 S C -1.120 173.475 174.600 -0.007 0.000 1.097 133 S CA -0.518 57.685 58.200 0.005 0.000 1.045 133 S CB 1.785 64.990 63.200 0.009 0.000 1.019 133 S HN 0.487 nan 8.310 nan 0.000 0.481 134 V N 2.968 122.878 119.914 -0.007 0.000 3.040 134 V HA 0.640 4.760 4.120 0.001 0.000 0.312 134 V C -0.043 176.051 176.094 0.000 0.000 1.115 134 V CA -1.120 61.172 62.300 -0.013 0.000 0.998 134 V CB 2.136 33.940 31.823 -0.032 0.000 1.042 134 V HN 1.034 nan 8.190 nan 0.000 0.433 135 R N 2.003 122.504 120.500 0.003 0.000 2.486 135 R HA 0.536 4.877 4.340 0.001 0.000 0.286 135 R C 0.097 176.408 176.300 0.019 0.000 0.999 135 R CA -0.696 55.411 56.100 0.011 0.000 0.993 135 R CB 1.087 31.393 30.300 0.010 0.000 1.084 135 R HN 0.788 nan 8.270 nan 0.000 0.487 136 R N 1.786 122.299 120.500 0.022 0.000 2.585 136 R HA 0.049 4.390 4.340 0.001 0.000 0.275 136 R C 0.523 176.843 176.300 0.033 0.000 1.018 136 R CA 1.795 57.911 56.100 0.026 0.000 1.072 136 R CB 0.173 30.488 30.300 0.025 0.000 0.953 136 R HN 0.959 nan 8.270 nan 0.000 0.419 137 G N 2.096 110.917 108.800 0.036 0.000 2.199 137 G HA2 -0.342 3.619 3.960 0.001 0.000 0.254 137 G HA3 -0.342 3.619 3.960 0.001 0.000 0.254 137 G C 0.030 174.981 174.900 0.084 0.000 0.982 137 G CA 0.436 45.565 45.100 0.048 0.000 0.632 137 G HN 0.672 nan 8.290 nan 0.000 0.529 138 Q N 0.598 120.442 119.800 0.073 0.000 2.259 138 Q HA 0.553 4.894 4.340 0.001 0.000 0.246 138 Q C 0.751 176.809 176.000 0.095 0.000 0.920 138 Q CA 0.074 55.934 55.803 0.095 0.000 0.895 138 Q CB 0.809 29.570 28.738 0.039 0.000 1.220 138 Q HN 0.530 nan 8.270 nan 0.000 0.439 139 G N 3.092 111.981 108.800 0.149 0.000 2.377 139 G HA2 0.569 4.529 3.960 0.001 0.000 0.299 139 G HA3 0.569 4.529 3.960 0.001 0.000 0.299 139 G C -0.664 174.268 174.900 0.053 0.000 1.150 139 G CA -0.571 44.604 45.100 0.126 0.000 0.847 139 G HN 0.739 nan 8.290 nan 0.000 0.501 140 M N 0.459 120.071 119.600 0.019 0.000 2.644 140 M HA 0.735 5.215 4.480 0.001 0.000 0.273 140 M C -1.687 174.552 176.300 -0.102 0.000 1.253 140 M CA -1.074 54.196 55.300 -0.050 0.000 0.852 140 M CB 2.339 34.875 32.600 -0.106 0.000 1.708 140 M HN 0.209 nan 8.290 nan 0.000 0.471 141 V N 2.116 121.921 119.914 -0.182 0.000 2.487 141 V HA 0.518 4.638 4.120 0.001 0.000 0.298 141 V C -0.696 175.164 176.094 -0.390 0.000 1.028 141 V CA -0.612 61.466 62.300 -0.370 0.000 0.860 141 V CB 1.796 33.387 31.823 -0.386 0.000 0.991 141 V HN 0.768 nan 8.190 nan 0.000 0.427 142 L N 5.444 126.331 121.223 -0.560 0.000 2.265 142 L HA 0.476 4.817 4.340 0.001 0.000 0.288 142 L C -0.409 176.267 176.870 -0.322 0.000 1.058 142 L CA -0.164 54.377 54.840 -0.500 0.000 0.809 142 L CB 1.046 42.571 42.059 -0.889 0.000 1.179 142 L HN 0.465 nan 8.230 nan 0.000 0.429 143 L N 3.273 124.464 121.223 -0.052 0.000 2.305 143 L HA 0.175 4.516 4.340 0.001 0.000 0.281 143 L C 1.007 178.057 176.870 0.299 0.000 1.085 143 L CA -0.310 54.566 54.840 0.059 0.000 0.813 143 L CB 1.469 43.545 42.059 0.028 0.000 1.157 143 L HN 0.808 nan 8.230 nan 0.000 0.436 144 c N 2.561 121.342 118.600 0.303 0.000 2.489 144 c HA 0.078 4.648 4.570 0.001 0.000 0.279 144 c C 1.665 175.905 174.090 0.250 0.000 1.266 144 c CA 0.897 57.375 56.329 0.248 0.000 1.707 144 c CB -1.096 41.473 42.510 0.098 0.000 2.059 144 c HN 1.124 nan 8.230 nan 0.000 0.481 145 G N 1.944 110.837 108.800 0.156 0.000 2.351 145 G HA2 -0.165 3.796 3.960 0.001 0.000 0.297 145 G HA3 -0.165 3.796 3.960 0.001 0.000 0.297 145 G C -2.161 172.768 174.900 0.047 0.000 1.054 145 G CA 0.106 45.283 45.100 0.128 0.000 1.123 145 G HN 0.560 nan 8.290 nan 0.000 0.512 146 P HA 0.278 nan 4.420 nan 0.000 0.269 146 P C -1.950 175.151 177.300 -0.331 0.000 1.209 146 P CA -0.897 62.057 63.100 -0.244 0.000 0.776 146 P CB 0.244 31.903 31.700 -0.068 0.000 0.876 147 P HA 0.265 nan 4.420 nan 0.000 0.274 147 P C -2.443 174.861 177.300 0.007 0.000 1.256 147 P CA -1.589 61.332 63.100 -0.298 0.000 0.795 147 P CB -1.097 30.380 31.700 -0.372 0.000 1.038 148 P HA 0.004 nan 4.420 nan 0.000 0.264 148 P C -0.508 176.850 177.300 0.097 0.000 1.183 148 P CA 1.126 64.297 63.100 0.119 0.000 0.763 148 P CB 0.000 31.797 31.700 0.162 0.000 0.807 149 H N -0.608 118.267 119.070 -0.324 0.000 2.967 149 H HA 0.658 5.215 4.556 0.001 0.000 0.318 149 H C -1.698 173.129 175.328 -0.836 0.000 1.375 149 H CA -0.981 54.629 56.048 -0.730 0.000 1.132 149 H CB 0.979 30.528 29.762 -0.356 0.000 1.848 149 H HN 0.286 nan 8.280 nan 0.000 0.524 150 S N 0.148 115.333 115.700 -0.859 0.000 2.619 150 S HA 0.666 5.137 4.470 0.001 0.000 0.280 150 S C -0.382 174.142 174.600 -0.127 0.000 1.150 150 S CA 0.459 58.417 58.200 -0.402 0.000 0.978 150 S CB 0.830 63.912 63.200 -0.197 0.000 1.041 150 S HN 1.654 nan 8.310 nan 0.000 0.485 151 G N 3.006 111.791 108.800 -0.024 0.000 2.525 151 G HA2 0.046 4.007 3.960 0.001 0.000 0.685 151 G HA3 0.046 4.007 3.960 0.001 0.000 0.685 151 G C -1.030 173.897 174.900 0.044 0.000 1.285 151 G CA -0.758 44.349 45.100 0.012 0.000 0.849 151 G HN 0.860 nan 8.290 nan 0.000 0.653 152 E N -0.194 120.011 120.200 0.010 0.000 2.384 152 E HA 0.410 4.761 4.350 0.001 0.000 0.266 152 E C 0.301 176.854 176.600 -0.078 0.000 1.012 152 E CA -0.224 56.173 56.400 -0.005 0.000 0.901 152 E CB 0.353 30.047 29.700 -0.010 0.000 0.967 152 E HN 0.446 nan 8.360 nan 0.000 0.435 153 L N 3.224 124.359 121.223 -0.147 0.000 2.331 153 L HA 0.411 4.752 4.340 0.001 0.000 0.275 153 L C 0.063 176.680 176.870 -0.421 0.000 1.022 153 L CA -0.745 53.873 54.840 -0.371 0.000 0.812 153 L CB 1.781 43.473 42.059 -0.611 0.000 1.257 153 L HN 0.591 nan 8.230 nan 0.000 0.435 154 S N 0.432 115.837 115.700 -0.492 0.000 2.638 154 S HA 0.769 5.240 4.470 0.001 0.000 0.302 154 S C -1.217 173.050 174.600 -0.554 0.000 1.096 154 S CA -0.712 57.261 58.200 -0.380 0.000 0.953 154 S CB 1.705 64.821 63.200 -0.141 0.000 1.107 154 S HN 0.379 nan 8.310 nan 0.000 0.503 155 Y N -0.540 119.736 120.300 -0.039 0.000 2.512 155 Y HA 0.803 5.354 4.550 0.001 0.000 0.348 155 Y C 0.194 176.093 175.900 -0.002 0.000 0.990 155 Y CA -0.810 57.264 58.100 -0.043 0.000 1.033 155 Y CB 2.324 40.775 38.460 -0.015 0.000 1.259 155 Y HN 1.146 nan 8.280 nan 0.000 0.461 156 A N 1.172 124.072 122.820 0.133 0.000 2.587 156 A HA 0.818 5.139 4.320 0.001 0.000 0.293 156 A C -2.293 175.349 177.584 0.097 0.000 1.087 156 A CA -0.797 51.333 52.037 0.155 0.000 0.692 156 A CB 1.049 20.103 19.000 0.091 0.000 1.291 156 A HN 0.726 nan 8.150 nan 0.000 0.407 157 W N 0.017 121.362 121.300 0.076 0.000 2.706 157 W HA 0.732 5.393 4.660 0.001 0.000 0.346 157 W C -0.416 176.175 176.519 0.119 0.000 1.071 157 W CA -0.410 56.994 57.345 0.098 0.000 1.206 157 W CB 1.514 31.044 29.460 0.116 0.000 1.413 157 W HN 0.477 nan 8.180 nan 0.000 0.542 158 I N 2.995 123.772 120.570 0.344 0.000 2.378 158 I HA 0.285 4.455 4.170 0.001 0.000 0.291 158 I C -1.069 175.227 176.117 0.298 0.000 0.992 158 I CA -0.955 60.499 61.300 0.257 0.000 1.154 158 I CB 1.010 39.089 38.000 0.132 0.000 1.315 158 I HN 0.109 nan 8.210 nan 0.000 0.448 159 F N 6.958 126.929 119.950 0.034 0.000 2.449 159 F HA 0.436 4.963 4.527 0.001 0.000 0.342 159 F C 0.614 176.305 175.800 -0.181 0.000 1.127 159 F CA -1.122 56.736 58.000 -0.235 0.000 0.975 159 F CB 0.646 39.479 39.000 -0.279 0.000 1.146 159 F HN 0.490 nan 8.300 nan 0.000 0.444 160 N N 4.889 123.208 118.700 -0.635 0.000 2.701 160 N HA -0.242 4.498 4.740 0.001 0.000 0.252 160 N C -0.042 175.294 175.510 -0.289 0.000 1.002 160 N CA 1.561 54.252 53.050 -0.600 0.000 0.758 160 N CB -0.682 37.191 38.487 -1.023 0.000 0.937 160 N HN 0.719 nan 8.380 nan 0.000 0.538 161 E N -4.239 115.950 120.200 -0.017 0.000 4.047 161 E HA -0.238 4.112 4.350 0.001 0.000 0.340 161 E C -0.862 176.026 176.600 0.481 0.000 0.720 161 E CA 1.029 57.549 56.400 0.200 0.000 1.320 161 E CB -1.573 28.254 29.700 0.212 0.000 1.685 161 E HN 0.592 nan 8.360 nan 0.000 0.416 162 Y N -0.753 119.516 120.300 -0.052 0.000 2.477 162 Y HA 0.450 5.001 4.550 0.001 0.000 0.347 162 Y C -2.036 173.908 175.900 0.074 0.000 0.981 162 Y CA -3.034 55.065 58.100 -0.001 0.000 1.033 162 Y CB 0.939 39.385 38.460 -0.024 0.000 1.245 162 Y HN -0.280 nan 8.280 nan 0.000 0.455 163 P HA -0.069 nan 4.420 nan 0.000 0.264 163 P C -0.119 177.360 177.300 0.299 0.000 1.179 163 P CA 0.290 63.524 63.100 0.223 0.000 0.763 163 P CB 0.579 32.384 31.700 0.175 0.000 0.806 164 S N 3.083 118.975 115.700 0.320 0.000 2.455 164 S HA 0.113 4.583 4.470 0.001 0.000 0.278 164 S C -0.502 174.274 174.600 0.292 0.000 1.216 164 S CA -0.431 57.974 58.200 0.342 0.000 1.055 164 S CB -0.670 62.724 63.200 0.324 0.000 0.939 164 S HN 0.278 nan 8.310 nan 0.000 0.494 165 Y N 5.105 125.515 120.300 0.184 0.000 2.511 165 Y HA 0.204 4.754 4.550 0.001 0.000 0.332 165 Y C 0.506 176.480 175.900 0.124 0.000 1.177 165 Y CA 0.330 58.516 58.100 0.142 0.000 1.422 165 Y CB 0.428 38.968 38.460 0.133 0.000 1.271 165 Y HN 0.635 nan 8.280 nan 0.000 0.550 166 Q N 4.635 124.163 119.800 -0.454 0.000 2.248 166 Q HA 0.452 4.792 4.340 0.001 0.000 0.263 166 Q C -1.034 174.668 176.000 -0.497 0.000 1.007 166 Q CA -0.744 54.888 55.803 -0.285 0.000 0.877 166 Q CB 1.936 30.672 28.738 -0.003 0.000 1.315 166 Q HN 0.845 nan 8.270 nan 0.000 0.454 167 D N -1.215 119.105 120.400 -0.132 0.000 3.213 167 D HA -0.108 4.533 4.640 0.001 0.000 0.357 167 D C -0.263 176.119 176.300 0.136 0.000 1.446 167 D CA -0.456 53.521 54.000 -0.037 0.000 0.893 167 D CB -0.575 40.240 40.800 0.025 0.000 1.466 167 D HN 0.612 nan 8.370 nan 0.000 0.541 168 N N -0.931 117.865 118.700 0.161 0.000 2.520 168 N HA -0.127 4.614 4.740 0.001 0.000 0.185 168 N C 1.416 177.120 175.510 0.323 0.000 1.068 168 N CA 0.510 53.692 53.050 0.220 0.000 0.911 168 N CB 0.337 38.895 38.487 0.120 0.000 0.961 168 N HN 0.282 nan 8.380 nan 0.000 0.446 169 R N -0.177 120.490 120.500 0.279 0.000 2.316 169 R HA 0.243 4.583 4.340 0.001 0.000 0.201 169 R C -0.448 176.031 176.300 0.298 0.000 0.888 169 R CA -0.089 56.172 56.100 0.269 0.000 1.041 169 R CB 0.555 30.946 30.300 0.151 0.000 1.115 169 R HN 0.093 nan 8.270 nan 0.000 0.559 170 R N -0.029 120.586 120.500 0.192 0.000 2.532 170 R HA 0.330 4.671 4.340 0.001 0.000 0.297 170 R C -1.734 174.531 176.300 -0.059 0.000 0.984 170 R CA -0.501 55.626 56.100 0.045 0.000 0.884 170 R CB 1.893 32.205 30.300 0.019 0.000 1.182 170 R HN -0.037 nan 8.270 nan 0.000 0.442 171 F N 2.167 121.848 119.950 -0.449 0.000 2.574 171 F HA 0.539 5.066 4.527 0.001 0.000 0.313 171 F C -1.516 174.113 175.800 -0.286 0.000 1.130 171 F CA -1.001 56.666 58.000 -0.556 0.000 0.936 171 F CB 1.613 39.768 39.000 -1.410 0.000 1.219 171 F HN 0.227 nan 8.300 nan 0.000 0.445 172 V N 4.983 124.326 119.914 -0.953 0.000 2.370 172 V HA 0.362 4.482 4.120 0.001 0.000 0.279 172 V C 0.128 175.444 176.094 -1.296 0.000 1.029 172 V CA -0.575 61.237 62.300 -0.814 0.000 0.870 172 V CB 1.212 32.900 31.823 -0.224 0.000 0.984 172 V HN 0.855 nan 8.190 nan 0.000 0.451 173 S N 3.948 119.177 115.700 -0.785 0.000 2.548 173 S HA 0.157 4.627 4.470 0.001 0.000 0.277 173 S C 0.842 175.337 174.600 -0.174 0.000 1.315 173 S CA -0.443 57.498 58.200 -0.431 0.000 1.050 173 S CB 1.000 64.209 63.200 0.016 0.000 0.918 173 S HN 0.708 nan 8.310 nan 0.000 0.497 174 Q N 2.504 122.289 119.800 -0.024 0.000 2.425 174 Q HA 0.116 4.457 4.340 0.001 0.000 0.204 174 Q C 1.250 177.370 176.000 0.201 0.000 0.933 174 Q CA 0.515 56.414 55.803 0.160 0.000 0.939 174 Q CB 0.144 28.960 28.738 0.130 0.000 1.044 174 Q HN 0.726 nan 8.270 nan 0.000 0.513 175 E N -0.025 120.240 120.200 0.109 0.000 2.075 175 E HA -0.050 4.301 4.350 0.001 0.000 0.190 175 E C 1.945 178.575 176.600 0.051 0.000 0.969 175 E CA 1.758 58.228 56.400 0.117 0.000 0.815 175 E CB 0.034 29.800 29.700 0.109 0.000 0.776 175 E HN 0.439 nan 8.360 nan 0.000 0.457 176 T N -2.933 111.597 114.554 -0.041 0.000 3.044 176 T HA 0.208 4.559 4.350 0.001 0.000 0.255 176 T C 1.634 176.014 174.700 -0.533 0.000 1.073 176 T CA 1.045 63.069 62.100 -0.126 0.000 1.125 176 T CB 0.296 69.185 68.868 0.036 0.000 0.908 176 T HN 0.272 nan 8.240 nan 0.000 0.480 177 G N 1.824 110.133 108.800 -0.819 0.000 2.179 177 G HA2 -0.245 3.715 3.960 0.001 0.000 0.260 177 G HA3 -0.245 3.715 3.960 0.001 0.000 0.260 177 G C -0.039 174.740 174.900 -0.203 0.000 0.977 177 G CA -0.023 44.322 45.100 -1.258 0.000 0.641 177 G HN 0.638 nan 8.290 nan 0.000 0.533 178 N N -0.149 118.479 118.700 -0.119 0.000 2.482 178 N HA 0.482 5.223 4.740 0.001 0.000 0.260 178 N C -0.075 175.185 175.510 -0.417 0.000 1.236 178 N CA -0.237 52.690 53.050 -0.204 0.000 0.938 178 N CB 1.406 39.569 38.487 -0.541 0.000 1.128 178 N HN 0.394 nan 8.380 nan 0.000 0.448 179 L N 2.403 123.124 121.223 -0.837 0.000 2.280 179 L HA 0.391 4.732 4.340 0.001 0.000 0.287 179 L C -1.541 174.867 176.870 -0.770 0.000 1.023 179 L CA -0.560 53.725 54.840 -0.924 0.000 0.819 179 L CB 0.112 41.212 42.059 -1.599 0.000 1.212 179 L HN 0.326 nan 8.230 nan 0.000 0.420 180 Y N 5.789 125.896 120.300 -0.321 0.000 2.328 180 Y HA 0.564 5.115 4.550 0.001 0.000 0.337 180 Y C 0.003 175.881 175.900 -0.038 0.000 1.008 180 Y CA -0.545 57.501 58.100 -0.090 0.000 1.129 180 Y CB 1.247 39.798 38.460 0.152 0.000 1.185 180 Y HN 0.419 nan 8.280 nan 0.000 0.476 181 I N 3.109 123.733 120.570 0.089 0.000 2.420 181 I HA 0.303 4.474 4.170 0.001 0.000 0.282 181 I C 0.799 177.010 176.117 0.156 0.000 1.019 181 I CA -0.491 60.855 61.300 0.077 0.000 1.130 181 I CB 1.730 39.678 38.000 -0.087 0.000 1.262 181 I HN 0.871 nan 8.210 nan 0.000 0.454 182 A N 5.725 128.691 122.820 0.242 0.000 1.940 182 A HA -0.117 4.204 4.320 0.001 0.000 0.219 182 A C 1.090 178.713 177.584 0.064 0.000 1.176 182 A CA 1.485 53.606 52.037 0.139 0.000 0.631 182 A CB 0.034 19.068 19.000 0.056 0.000 0.814 182 A HN 0.692 nan 8.150 nan 0.000 0.446 183 K N -0.729 119.704 120.400 0.056 0.000 2.651 183 K HA 0.454 4.775 4.320 0.001 0.000 0.259 183 K C -1.619 174.999 176.600 0.030 0.000 1.017 183 K CA -0.502 55.805 56.287 0.033 0.000 0.897 183 K CB 1.757 34.258 32.500 0.001 0.000 1.262 183 K HN -0.030 nan 8.250 nan 0.000 0.460 184 V N 4.207 124.135 119.914 0.023 0.000 2.715 184 V HA 0.178 4.299 4.120 0.001 0.000 0.299 184 V C 0.115 176.221 176.094 0.020 0.000 1.054 184 V CA 0.262 62.566 62.300 0.007 0.000 1.077 184 V CB 1.162 32.982 31.823 -0.005 0.000 0.972 184 V HN 0.779 nan 8.190 nan 0.000 0.484 185 E N 3.129 123.344 120.200 0.025 0.000 2.393 185 E HA 0.330 4.680 4.350 0.001 0.000 0.265 185 E C 0.293 176.921 176.600 0.046 0.000 0.941 185 E CA -0.943 55.479 56.400 0.036 0.000 0.801 185 E CB 1.952 31.677 29.700 0.042 0.000 1.313 185 E HN 0.459 nan 8.360 nan 0.000 0.435 186 K N 0.742 121.171 120.400 0.049 0.000 2.097 186 K HA -0.146 4.174 4.320 0.001 0.000 0.206 186 K C 1.915 178.565 176.600 0.083 0.000 1.049 186 K CA 1.889 58.210 56.287 0.056 0.000 0.933 186 K CB -0.082 32.444 32.500 0.044 0.000 0.717 186 K HN 0.464 nan 8.250 nan 0.000 0.442 187 S N 0.448 116.202 115.700 0.090 0.000 2.469 187 S HA -0.119 4.351 4.470 0.001 0.000 0.238 187 S C 1.047 175.785 174.600 0.230 0.000 0.998 187 S CA 1.227 59.508 58.200 0.135 0.000 0.957 187 S CB -0.193 63.078 63.200 0.119 0.000 0.764 187 S HN 0.290 nan 8.310 nan 0.000 0.514 188 D N 1.425 121.913 120.400 0.147 0.000 2.371 188 D HA 0.067 4.708 4.640 0.001 0.000 0.221 188 D C 0.761 177.218 176.300 0.262 0.000 0.986 188 D CA 0.239 54.288 54.000 0.082 0.000 0.899 188 D CB -0.309 40.482 40.800 -0.016 0.000 0.902 188 D HN 0.413 nan 8.370 nan 0.000 0.530 189 V N 0.012 120.092 119.914 0.277 0.000 2.585 189 V HA 0.480 4.601 4.120 0.001 0.000 0.296 189 V C 0.606 176.921 176.094 0.367 0.000 1.035 189 V CA 1.140 63.599 62.300 0.266 0.000 1.084 189 V CB 0.404 32.315 31.823 0.147 0.000 0.953 189 V HN 0.392 nan 8.190 nan 0.000 0.483 190 G N 5.347 114.369 108.800 0.370 0.000 2.356 190 G HA2 0.052 4.013 3.960 0.001 0.000 0.266 190 G HA3 0.052 4.013 3.960 0.001 0.000 0.266 190 G C -1.280 173.778 174.900 0.263 0.000 1.312 190 G CA -0.614 44.632 45.100 0.243 0.000 0.922 190 G HN 0.766 nan 8.290 nan 0.000 0.480 191 N N 0.056 118.804 118.700 0.079 0.000 2.400 191 N HA 0.591 5.331 4.740 0.001 0.000 0.288 191 N C -1.629 173.936 175.510 0.092 0.000 1.024 191 N CA -0.042 53.084 53.050 0.126 0.000 0.894 191 N CB 1.724 40.240 38.487 0.047 0.000 1.173 191 N HN 0.418 nan 8.380 nan 0.000 0.487 192 Y N -0.134 120.326 120.300 0.267 0.000 2.350 192 Y HA 0.282 4.833 4.550 0.001 0.000 0.338 192 Y C 0.730 176.826 175.900 0.326 0.000 0.961 192 Y CA -0.859 57.461 58.100 0.367 0.000 1.100 192 Y CB 1.965 40.623 38.460 0.329 0.000 1.179 192 Y HN 0.347 nan 8.280 nan 0.000 0.454 193 T N 0.799 115.566 114.554 0.354 0.000 2.841 193 T HA 0.406 4.757 4.350 0.001 0.000 0.283 193 T C -0.782 173.713 174.700 -0.341 0.000 1.000 193 T CA -0.704 61.396 62.100 0.000 0.000 0.977 193 T CB 1.108 69.928 68.868 -0.079 0.000 0.979 193 T HN 0.798 nan 8.240 nan 0.000 0.446 194 c N 4.323 122.378 118.600 -0.909 0.000 2.435 194 c HA 0.732 5.303 4.570 0.001 0.000 0.375 194 c C 0.367 174.094 174.090 -0.606 0.000 1.281 194 c CA -0.345 55.149 56.329 -1.392 0.000 1.963 194 c CB -0.444 41.211 42.510 -1.425 0.000 2.490 194 c HN 0.882 nan 8.230 nan 0.000 0.557 195 V N 8.103 127.762 119.914 -0.425 0.000 2.384 195 V HA 0.656 4.776 4.120 0.001 0.000 0.287 195 V C -0.413 175.600 176.094 -0.135 0.000 1.020 195 V CA -0.139 62.042 62.300 -0.198 0.000 0.850 195 V CB 1.575 33.320 31.823 -0.130 0.000 0.987 195 V HN 0.856 nan 8.190 nan 0.000 0.436 196 V N 6.672 126.520 119.914 -0.111 0.000 2.495 196 V HA 0.761 4.882 4.120 0.001 0.000 0.298 196 V C -0.129 175.810 176.094 -0.258 0.000 1.031 196 V CA 0.201 62.378 62.300 -0.205 0.000 0.871 196 V CB 2.298 34.041 31.823 -0.133 0.000 0.988 196 V HN 0.993 nan 8.190 nan 0.000 0.432 197 T N 6.146 120.502 114.554 -0.329 0.000 2.812 197 T HA 0.356 4.707 4.350 0.001 0.000 0.282 197 T C -0.457 174.093 174.700 -0.250 0.000 0.990 197 T CA -0.345 61.606 62.100 -0.249 0.000 0.960 197 T CB 0.911 69.666 68.868 -0.188 0.000 0.948 197 T HN 0.776 nan 8.240 nan 0.000 0.438 198 N N 2.313 120.914 118.700 -0.166 0.000 2.401 198 N HA 0.032 4.772 4.740 0.001 0.000 0.255 198 N C 1.462 176.926 175.510 -0.077 0.000 1.110 198 N CA -0.081 52.901 53.050 -0.114 0.000 0.949 198 N CB 1.311 39.776 38.487 -0.036 0.000 1.110 198 N HN 0.743 nan 8.380 nan 0.000 0.490 199 T N 0.202 114.705 114.554 -0.086 0.000 3.025 199 T HA -0.057 4.293 4.350 0.001 0.000 0.270 199 T C 1.635 176.317 174.700 -0.031 0.000 1.126 199 T CA 0.729 62.795 62.100 -0.057 0.000 1.105 199 T CB -0.003 68.832 68.868 -0.055 0.000 0.884 199 T HN 0.204 nan 8.240 nan 0.000 0.522 200 V N 2.210 122.111 119.914 -0.022 0.000 2.599 200 V HA 0.009 4.130 4.120 0.001 0.000 0.245 200 V C 2.938 179.028 176.094 -0.006 0.000 1.046 200 V CA 1.733 64.027 62.300 -0.010 0.000 1.065 200 V CB -0.341 31.482 31.823 -0.000 0.000 0.703 200 V HN 0.783 nan 8.190 nan 0.000 0.464 201 T N -3.501 111.056 114.554 0.005 0.000 3.040 201 T HA 0.114 4.465 4.350 0.001 0.000 0.250 201 T C 1.099 175.814 174.700 0.025 0.000 1.058 201 T CA 0.573 62.680 62.100 0.012 0.000 0.988 201 T CB -0.274 68.613 68.868 0.031 0.000 0.993 201 T HN 0.356 nan 8.240 nan 0.000 0.519 202 N N 1.005 119.715 118.700 0.016 0.000 2.741 202 N HA -0.234 4.506 4.740 0.001 0.000 0.251 202 N C -0.452 175.087 175.510 0.050 0.000 1.112 202 N CA 0.861 53.917 53.050 0.011 0.000 0.750 202 N CB -2.236 36.253 38.487 0.004 0.000 1.119 202 N HN 0.849 nan 8.380 nan 0.000 0.561 203 H N 0.850 119.896 119.070 -0.040 0.000 2.582 203 H HA 0.561 5.117 4.556 0.001 0.000 0.345 203 H C -0.008 175.293 175.328 -0.045 0.000 1.104 203 H CA 0.233 56.261 56.048 -0.032 0.000 1.390 203 H CB 0.705 30.457 29.762 -0.017 0.000 1.461 203 H HN 0.191 nan 8.280 nan 0.000 0.551 204 K N 3.930 123.946 120.400 -0.639 0.000 2.270 204 K HA 0.516 4.836 4.320 0.001 0.000 0.255 204 K C -1.460 174.768 176.600 -0.620 0.000 0.936 204 K CA -1.023 54.971 56.287 -0.489 0.000 0.809 204 K CB 1.298 33.654 32.500 -0.239 0.000 1.131 204 K HN 0.476 nan 8.250 nan 0.000 0.427 205 V N 1.939 121.660 119.914 -0.322 0.000 2.789 205 V HA 0.568 4.689 4.120 0.001 0.000 0.311 205 V C -0.995 175.098 176.094 -0.002 0.000 1.073 205 V CA -1.056 61.174 62.300 -0.117 0.000 0.921 205 V CB 1.551 33.383 31.823 0.014 0.000 1.009 205 V HN 0.624 nan 8.190 nan 0.000 0.426 206 L N 3.986 125.198 121.223 -0.019 0.000 2.309 206 L HA 0.766 5.107 4.340 0.001 0.000 0.282 206 L C 0.996 177.684 176.870 -0.303 0.000 1.036 206 L CA -0.156 54.603 54.840 -0.134 0.000 0.806 206 L CB 1.615 43.600 42.059 -0.125 0.000 1.220 206 L HN 1.002 nan 8.230 nan 0.000 0.429 207 G N 2.469 110.778 108.800 -0.818 0.000 2.528 207 G HA2 0.533 4.494 3.960 0.001 0.000 0.289 207 G HA3 0.533 4.494 3.960 0.001 0.000 0.289 207 G C -2.617 171.902 174.900 -0.635 0.000 1.192 207 G CA -1.119 43.077 45.100 -1.507 0.000 0.921 207 G HN 0.347 nan 8.290 nan 0.000 0.512 208 P HA 0.218 nan 4.420 nan 0.000 0.268 208 P C -2.482 174.733 177.300 -0.142 0.000 1.205 208 P CA -0.963 62.019 63.100 -0.196 0.000 0.771 208 P CB 0.226 31.861 31.700 -0.107 0.000 0.858 209 P HA 0.106 nan 4.420 nan 0.000 0.275 209 P C -0.291 177.054 177.300 0.075 0.000 1.227 209 P CA 0.030 63.149 63.100 0.030 0.000 0.781 209 P CB 0.303 32.026 31.700 0.039 0.000 0.906 210 T N 3.162 117.811 114.554 0.160 0.000 2.743 210 T HA 0.469 4.820 4.350 0.001 0.000 0.292 210 T C -2.653 172.166 174.700 0.198 0.000 0.972 210 T CA -2.636 59.556 62.100 0.153 0.000 0.967 210 T CB -0.088 68.869 68.868 0.149 0.000 0.926 210 T HN 0.107 nan 8.240 nan 0.000 0.459 211 P HA 0.377 nan 4.420 nan 0.000 0.287 211 P C -1.053 176.336 177.300 0.148 0.000 1.281 211 P CA -0.743 62.447 63.100 0.149 0.000 0.781 211 P CB 0.662 32.416 31.700 0.090 0.000 0.903 212 L N 4.969 126.316 121.223 0.207 0.000 2.346 212 L HA 0.767 5.108 4.340 0.001 0.000 0.276 212 L C -0.811 176.139 176.870 0.133 0.000 1.006 212 L CA -0.724 54.203 54.840 0.145 0.000 0.817 212 L CB 1.169 43.295 42.059 0.111 0.000 1.272 212 L HN 0.366 nan 8.230 nan 0.000 0.421 213 I N 0.919 121.537 120.570 0.079 0.000 3.002 213 I HA 0.520 4.690 4.170 0.001 0.000 0.310 213 I C -0.892 175.253 176.117 0.047 0.000 1.087 213 I CA -1.118 60.222 61.300 0.068 0.000 1.017 213 I CB 1.979 40.010 38.000 0.052 0.000 1.226 213 I HN 0.605 nan 8.210 nan 0.000 0.443 214 L N 3.245 124.495 121.223 0.045 0.000 2.416 214 L HA 0.332 4.672 4.340 0.001 0.000 0.272 214 L C 0.369 177.253 176.870 0.023 0.000 1.161 214 L CA -0.293 54.566 54.840 0.032 0.000 0.845 214 L CB 0.568 42.647 42.059 0.033 0.000 1.119 214 L HN 0.743 nan 8.230 nan 0.000 0.464 215 R N 2.469 122.979 120.500 0.016 0.000 2.308 215 R HA 0.229 4.569 4.340 0.001 0.000 0.305 215 R C -0.490 175.817 176.300 0.013 0.000 1.053 215 R CA -0.676 55.431 56.100 0.012 0.000 0.957 215 R CB 0.496 30.800 30.300 0.007 0.000 1.022 215 R HN 0.427 nan 8.270 nan 0.000 0.461 216 N N 3.185 121.892 118.700 0.012 0.000 2.802 216 N HA -0.004 4.736 4.740 0.001 0.000 0.288 216 N C -0.981 174.534 175.510 0.009 0.000 1.268 216 N CA 0.008 53.065 53.050 0.012 0.000 1.035 216 N CB 0.140 38.635 38.487 0.012 0.000 1.353 216 N HN 0.711 nan 8.380 nan 0.000 0.522 217 D N -1.103 119.302 120.400 0.008 0.000 2.358 217 D HA 0.271 4.911 4.640 0.001 0.000 0.287 217 D C 1.332 177.637 176.300 0.009 0.000 1.181 217 D CA -0.558 53.446 54.000 0.007 0.000 1.103 217 D CB -0.622 40.180 40.800 0.004 0.000 1.168 217 D HN 0.021 nan 8.370 nan 0.000 0.552 218 G N -1.136 107.669 108.800 0.009 0.000 2.486 218 G HA2 0.426 4.387 3.960 0.001 0.000 0.272 218 G HA3 0.426 4.387 3.960 0.001 0.000 0.272 218 G C -0.258 174.651 174.900 0.015 0.000 1.426 218 G CA -0.482 44.625 45.100 0.011 0.000 1.058 218 G HN 0.327 nan 8.290 nan 0.000 0.531 219 V N 0.168 120.093 119.914 0.018 0.000 2.743 219 V HA 0.367 4.487 4.120 0.001 0.000 0.301 219 V C 0.459 176.572 176.094 0.032 0.000 1.057 219 V CA -0.636 61.679 62.300 0.025 0.000 1.006 219 V CB 1.560 33.397 31.823 0.023 0.000 1.024 219 V HN 0.675 nan 8.190 nan 0.000 0.473 220 M N 2.978 122.606 119.600 0.047 0.000 2.238 220 M HA 0.485 4.966 4.480 0.001 0.000 0.347 220 M C 0.667 177.020 176.300 0.088 0.000 1.173 220 M CA 0.561 55.904 55.300 0.071 0.000 1.147 220 M CB 0.681 33.350 32.600 0.115 0.000 1.547 220 M HN 0.850 nan 8.290 nan 0.000 0.455 221 G N 3.229 112.085 108.800 0.094 0.000 2.611 221 G HA2 0.276 4.237 3.960 0.001 0.000 0.273 221 G HA3 0.276 4.237 3.960 0.001 0.000 0.273 221 G C -0.757 174.248 174.900 0.175 0.000 1.305 221 G CA -0.639 44.520 45.100 0.099 0.000 1.010 221 G HN 0.776 nan 8.290 nan 0.000 0.509 222 E N -1.186 119.083 120.200 0.115 0.000 2.280 222 E HA 0.543 4.893 4.350 0.001 0.000 0.264 222 E C -1.158 175.544 176.600 0.170 0.000 1.064 222 E CA -0.146 56.287 56.400 0.055 0.000 0.900 222 E CB 1.504 31.190 29.700 -0.024 0.000 1.123 222 E HN 0.556 nan 8.360 nan 0.000 0.418 223 Y N -2.620 117.663 120.300 -0.027 0.000 2.717 223 Y HA 0.251 4.802 4.550 0.001 0.000 0.345 223 Y C -0.756 175.121 175.900 -0.040 0.000 1.187 223 Y CA -1.255 56.826 58.100 -0.030 0.000 1.128 223 Y CB 0.259 38.703 38.460 -0.028 0.000 1.360 223 Y HN 0.350 nan 8.280 nan 0.000 0.467 224 E N 2.918 123.187 120.200 0.114 0.000 2.492 224 E HA 0.074 4.424 4.350 0.001 0.000 0.266 224 E C -2.364 174.240 176.600 0.007 0.000 1.047 224 E CA -1.166 55.249 56.400 0.026 0.000 0.968 224 E CB 0.304 30.040 29.700 0.059 0.000 0.960 224 E HN 0.398 nan 8.360 nan 0.000 0.452 225 P HA -0.009 nan 4.420 nan 0.000 0.268 225 P C -1.072 176.220 177.300 -0.014 0.000 1.205 225 P CA 0.381 63.427 63.100 -0.090 0.000 0.771 225 P CB 0.416 32.027 31.700 -0.148 0.000 0.858 226 K N 4.318 124.732 120.400 0.023 0.000 2.316 226 K HA 0.330 4.650 4.320 0.001 0.000 0.267 226 K C -0.396 176.184 176.600 -0.033 0.000 1.025 226 K CA -0.525 55.772 56.287 0.018 0.000 0.896 226 K CB 0.142 32.684 32.500 0.070 0.000 1.124 226 K HN 0.401 nan 8.250 nan 0.000 0.451 227 I N 4.352 124.882 120.570 -0.067 0.000 2.578 227 I HA -0.057 4.113 4.170 0.001 0.000 0.286 227 I C 1.052 177.145 176.117 -0.041 0.000 1.126 227 I CA 0.220 61.465 61.300 -0.092 0.000 1.380 227 I CB 0.755 38.685 38.000 -0.116 0.000 1.408 227 I HN 0.773 nan 8.210 nan 0.000 0.532 228 E N 5.905 126.094 120.200 -0.017 0.000 2.389 228 E HA 0.102 4.453 4.350 0.001 0.000 0.199 228 E C -0.410 176.209 176.600 0.032 0.000 0.978 228 E CA 0.529 56.967 56.400 0.063 0.000 0.912 228 E CB 0.593 30.414 29.700 0.202 0.000 0.907 228 E HN 0.411 nan 8.360 nan 0.000 0.494 229 V N 1.739 121.605 119.914 -0.080 0.000 2.808 229 V HA 0.513 4.633 4.120 0.001 0.000 0.308 229 V C -0.807 175.278 176.094 -0.016 0.000 1.099 229 V CA -0.968 61.292 62.300 -0.066 0.000 0.920 229 V CB 1.478 33.182 31.823 -0.198 0.000 1.014 229 V HN 0.231 nan 8.190 nan 0.000 0.425 230 Q N 3.288 123.102 119.800 0.023 0.000 2.534 230 Q HA 0.649 4.990 4.340 0.001 0.000 0.290 230 Q C -1.151 174.910 176.000 0.102 0.000 0.991 230 Q CA -1.031 54.801 55.803 0.049 0.000 0.783 230 Q CB 2.397 31.060 28.738 -0.125 0.000 1.470 230 Q HN 0.714 nan 8.270 nan 0.000 0.406 231 F N -0.778 119.229 119.950 0.096 0.000 2.450 231 F HA 0.621 5.148 4.527 0.001 0.000 0.339 231 F C -2.271 173.569 175.800 0.066 0.000 1.146 231 F CA -1.947 56.108 58.000 0.092 0.000 1.267 231 F CB -0.472 38.606 39.000 0.130 0.000 1.178 231 F HN 0.305 nan 8.300 nan 0.000 0.585 232 P HA 0.038 nan 4.420 nan 0.000 0.270 232 P C 0.127 177.424 177.300 -0.006 0.000 1.223 232 P CA -0.109 63.003 63.100 0.020 0.000 0.785 232 P CB 0.566 32.313 31.700 0.079 0.000 0.923 233 E N -0.872 119.312 120.200 -0.027 0.000 2.204 233 E HA -0.063 4.288 4.350 0.001 0.000 0.195 233 E C -0.063 176.586 176.600 0.082 0.000 0.990 233 E CA 1.078 57.479 56.400 0.002 0.000 0.821 233 E CB 0.011 29.707 29.700 -0.006 0.000 0.750 233 E HN 0.412 nan 8.360 nan 0.000 0.477 234 T N 0.606 115.211 114.554 0.084 0.000 2.879 234 T HA 0.373 4.724 4.350 0.001 0.000 0.290 234 T C -0.960 173.799 174.700 0.098 0.000 0.993 234 T CA -0.502 61.655 62.100 0.095 0.000 0.975 234 T CB 2.121 71.026 68.868 0.061 0.000 0.981 234 T HN -0.262 nan 8.240 nan 0.000 0.439 235 V N 6.365 126.343 119.914 0.107 0.000 2.380 235 V HA 0.369 4.490 4.120 0.001 0.000 0.286 235 V C -2.481 173.629 176.094 0.028 0.000 1.015 235 V CA -2.130 60.210 62.300 0.067 0.000 0.834 235 V CB 1.465 33.325 31.823 0.062 0.000 1.009 235 V HN 0.644 nan 8.190 nan 0.000 0.428 236 P HA 0.375 nan 4.420 nan 0.000 0.276 236 P C -0.636 176.686 177.300 0.038 0.000 1.243 236 P CA 0.084 63.232 63.100 0.080 0.000 0.768 236 P CB 0.924 32.641 31.700 0.028 0.000 0.856 237 A N 2.771 125.541 122.820 -0.083 0.000 2.323 237 A HA 0.312 4.632 4.320 0.001 0.000 0.305 237 A C -0.081 177.079 177.584 -0.706 0.000 1.275 237 A CA -0.637 51.069 52.037 -0.552 0.000 0.804 237 A CB 0.175 18.497 19.000 -1.131 0.000 1.152 237 A HN 0.503 nan 8.150 nan 0.000 0.487 238 E N 2.700 122.426 120.200 -0.789 0.000 2.290 238 E HA 0.147 4.497 4.350 0.001 0.000 0.277 238 E C 0.217 176.458 176.600 -0.599 0.000 1.035 238 E CA -0.441 55.262 56.400 -1.161 0.000 0.873 238 E CB 0.522 29.686 29.700 -0.894 0.000 1.029 238 E HN 0.584 nan 8.360 nan 0.000 0.419 239 K N 3.336 123.315 120.400 -0.701 0.000 2.511 239 K HA -0.156 4.165 4.320 0.001 0.000 0.277 239 K C 0.762 177.314 176.600 -0.080 0.000 1.025 239 K CA 1.301 57.463 56.287 -0.209 0.000 1.112 239 K CB -0.166 32.166 32.500 -0.281 0.000 0.859 239 K HN 0.818 nan 8.250 nan 0.000 0.485 240 G N 2.360 111.204 108.800 0.073 0.000 2.253 240 G HA2 -0.330 3.630 3.960 0.001 0.000 0.251 240 G HA3 -0.330 3.630 3.960 0.001 0.000 0.251 240 G C 0.254 175.162 174.900 0.013 0.000 0.998 240 G CA 0.653 45.772 45.100 0.031 0.000 0.621 240 G HN 0.941 nan 8.290 nan 0.000 0.524 241 T N -1.394 113.153 114.554 -0.012 0.000 2.881 241 T HA 0.598 4.949 4.350 0.001 0.000 0.278 241 T C 0.457 175.168 174.700 0.018 0.000 0.982 241 T CA 0.717 62.799 62.100 -0.030 0.000 0.989 241 T CB 1.814 70.622 68.868 -0.100 0.000 1.058 241 T HN 1.293 nan 8.240 nan 0.000 0.529 242 T N 0.417 114.967 114.554 -0.008 0.000 2.733 242 T HA 0.472 4.823 4.350 0.001 0.000 0.294 242 T C 0.002 174.674 174.700 -0.047 0.000 0.956 242 T CA -0.682 61.419 62.100 0.001 0.000 0.987 242 T CB -0.115 68.751 68.868 -0.004 0.000 0.920 242 T HN 1.049 nan 8.240 nan 0.000 0.470 243 V N 3.178 123.056 119.914 -0.061 0.000 2.439 243 V HA 0.688 4.809 4.120 0.001 0.000 0.282 243 V C -0.553 175.450 176.094 -0.151 0.000 1.039 243 V CA -0.786 61.417 62.300 -0.162 0.000 0.913 243 V CB 0.698 32.298 31.823 -0.372 0.000 0.983 243 V HN 0.937 nan 8.190 nan 0.000 0.460 244 K N 6.268 126.588 120.400 -0.132 0.000 2.274 244 K HA 0.711 5.031 4.320 0.001 0.000 0.262 244 K C -1.147 175.371 176.600 -0.136 0.000 0.961 244 K CA -0.483 55.727 56.287 -0.127 0.000 0.833 244 K CB 2.114 34.585 32.500 -0.049 0.000 1.102 244 K HN 0.722 nan 8.250 nan 0.000 0.436 245 L N 2.637 123.717 121.223 -0.239 0.000 2.341 245 L HA 0.432 4.772 4.340 0.001 0.000 0.278 245 L C -0.139 176.763 176.870 0.053 0.000 1.005 245 L CA -0.754 53.971 54.840 -0.192 0.000 0.818 245 L CB 1.704 43.386 42.059 -0.628 0.000 1.259 245 L HN 0.570 nan 8.230 nan 0.000 0.418 246 E N 1.563 121.963 120.200 0.334 0.000 2.221 246 E HA 0.558 4.908 4.350 0.001 0.000 0.268 246 E C -1.377 175.532 176.600 0.516 0.000 0.933 246 E CA -0.622 56.018 56.400 0.399 0.000 0.809 246 E CB 2.836 32.717 29.700 0.301 0.000 1.190 246 E HN 0.493 nan 8.360 nan 0.000 0.406 247 c N 3.577 122.353 118.600 0.294 0.000 2.924 247 c HA 0.598 5.168 4.570 0.001 0.000 0.400 247 c C -1.969 172.049 174.090 -0.120 0.000 1.032 247 c CA -0.602 55.743 56.329 0.026 0.000 1.236 247 c CB -0.319 42.034 42.510 -0.261 0.000 1.660 247 c HN 0.764 nan 8.230 nan 0.000 0.510 248 F N 4.361 124.113 119.950 -0.331 0.000 2.608 248 F HA 0.796 5.323 4.527 0.001 0.000 0.309 248 F C -0.403 175.263 175.800 -0.223 0.000 1.103 248 F CA 0.201 57.979 58.000 -0.370 0.000 0.954 248 F CB 1.874 40.558 39.000 -0.526 0.000 1.267 248 F HN 0.925 nan 8.300 nan 0.000 0.444 249 A N 5.430 127.806 122.820 -0.740 0.000 2.374 249 A HA 0.837 5.158 4.320 0.001 0.000 0.317 249 A C -1.675 175.686 177.584 -0.372 0.000 1.094 249 A CA -0.722 51.067 52.037 -0.413 0.000 0.765 249 A CB 1.276 20.067 19.000 -0.348 0.000 1.268 249 A HN 0.754 nan 8.150 nan 0.000 0.438 250 L N 1.134 122.306 121.223 -0.085 0.000 2.379 250 L HA 0.828 5.168 4.340 0.001 0.000 0.269 250 L C 0.685 177.531 176.870 -0.040 0.000 1.084 250 L CA -0.275 54.573 54.840 0.012 0.000 0.802 250 L CB 1.606 43.754 42.059 0.148 0.000 1.175 250 L HN 0.973 nan 8.230 nan 0.000 0.448 251 G N 0.919 109.641 108.800 -0.131 0.000 2.429 251 G HA2 0.135 4.096 3.960 0.001 0.000 0.300 251 G HA3 0.135 4.096 3.960 0.001 0.000 0.300 251 G C -2.188 172.415 174.900 -0.494 0.000 1.598 251 G CA -0.706 44.119 45.100 -0.459 0.000 0.863 251 G HN 0.655 nan 8.290 nan 0.000 0.614 252 N N 1.837 120.064 118.700 -0.788 0.000 2.519 252 N HA 0.549 5.290 4.740 0.001 0.000 0.286 252 N C -2.876 172.424 175.510 -0.350 0.000 1.079 252 N CA -1.572 51.218 53.050 -0.433 0.000 0.878 252 N CB 3.031 41.325 38.487 -0.322 0.000 1.375 252 N HN 0.173 nan 8.380 nan 0.000 0.514 253 P HA -0.027 nan 4.420 nan 0.000 0.271 253 P C -0.310 176.883 177.300 -0.178 0.000 1.233 253 P CA -0.301 62.707 63.100 -0.153 0.000 0.789 253 P CB 0.684 32.322 31.700 -0.104 0.000 0.951 254 V N 3.543 123.383 119.914 -0.124 0.000 2.644 254 V HA -0.023 4.098 4.120 0.001 0.000 0.305 254 V C -1.778 174.225 176.094 -0.152 0.000 1.053 254 V CA -0.406 61.820 62.300 -0.122 0.000 1.186 254 V CB -0.668 31.124 31.823 -0.052 0.000 0.895 254 V HN 0.599 nan 8.190 nan 0.000 0.490 255 P HA 0.237 nan 4.420 nan 0.000 0.274 255 P C -0.158 177.027 177.300 -0.190 0.000 1.237 255 P CA -0.239 62.730 63.100 -0.219 0.000 0.793 255 P CB 0.405 31.931 31.700 -0.291 0.000 0.977 256 T N -0.577 113.884 114.554 -0.155 0.000 2.909 256 T HA 0.552 4.903 4.350 0.001 0.000 0.286 256 T C 0.019 174.615 174.700 -0.174 0.000 1.002 256 T CA -0.589 61.436 62.100 -0.126 0.000 1.074 256 T CB 0.305 69.122 68.868 -0.084 0.000 0.984 256 T HN 0.071 nan 8.240 nan 0.000 0.495 257 I N 3.019 123.492 120.570 -0.161 0.000 2.406 257 I HA 0.469 4.640 4.170 0.001 0.000 0.290 257 I C -0.774 175.229 176.117 -0.190 0.000 0.999 257 I CA -1.085 60.074 61.300 -0.235 0.000 1.124 257 I CB 1.430 39.285 38.000 -0.241 0.000 1.289 257 I HN 0.631 nan 8.210 nan 0.000 0.441 258 L N 7.345 128.416 121.223 -0.252 0.000 2.381 258 L HA 0.563 4.904 4.340 0.001 0.000 0.274 258 L C -1.636 175.106 176.870 -0.213 0.000 0.988 258 L CA -0.320 54.436 54.840 -0.139 0.000 0.824 258 L CB 1.609 43.624 42.059 -0.073 0.000 1.263 258 L HN 0.414 nan 8.230 nan 0.000 0.410 259 W N 6.171 127.487 121.300 0.027 0.000 2.417 259 W HA 0.767 5.428 4.660 0.001 0.000 0.317 259 W C 0.172 176.718 176.519 0.044 0.000 1.121 259 W CA -0.361 57.015 57.345 0.052 0.000 1.208 259 W CB 1.137 30.630 29.460 0.054 0.000 1.253 259 W HN 0.567 nan 8.180 nan 0.000 0.533 260 R N 1.083 121.756 120.500 0.288 0.000 2.752 260 R HA 0.678 5.019 4.340 0.001 0.000 0.271 260 R C -1.139 175.186 176.300 0.042 0.000 1.026 260 R CA -1.385 54.795 56.100 0.133 0.000 0.901 260 R CB 1.370 31.708 30.300 0.063 0.000 1.243 260 R HN 0.470 nan 8.270 nan 0.000 0.463 261 R N 0.176 120.605 120.500 -0.118 0.000 2.368 261 R HA 0.374 4.714 4.340 0.001 0.000 0.302 261 R C 0.875 177.101 176.300 -0.124 0.000 1.002 261 R CA 0.186 56.113 56.100 -0.289 0.000 0.929 261 R CB 1.733 31.787 30.300 -0.410 0.000 1.073 261 R HN 0.846 nan 8.270 nan 0.000 0.464 262 A N 2.488 125.257 122.820 -0.085 0.000 1.948 262 A HA -0.228 4.092 4.320 0.001 0.000 0.220 262 A C 1.324 178.887 177.584 -0.036 0.000 1.177 262 A CA 2.052 54.075 52.037 -0.025 0.000 0.636 262 A CB -0.407 18.599 19.000 0.010 0.000 0.815 262 A HN 0.877 nan 8.150 nan 0.000 0.449 263 D N -2.226 118.138 120.400 -0.060 0.000 2.336 263 D HA 0.283 4.924 4.640 0.001 0.000 0.229 263 D C 1.175 177.447 176.300 -0.047 0.000 1.061 263 D CA 0.960 54.932 54.000 -0.046 0.000 0.875 263 D CB -0.637 40.136 40.800 -0.044 0.000 0.904 263 D HN 0.781 nan 8.370 nan 0.000 0.525 264 G N 0.051 108.820 108.800 -0.052 0.000 2.234 264 G HA2 -0.349 3.611 3.960 0.001 0.000 0.260 264 G HA3 -0.349 3.611 3.960 0.001 0.000 0.260 264 G C 0.290 175.163 174.900 -0.044 0.000 0.987 264 G CA 0.302 45.379 45.100 -0.039 0.000 0.625 264 G HN 0.500 nan 8.290 nan 0.000 0.532 265 K N 1.459 121.821 120.400 -0.062 0.000 2.355 265 K HA 0.394 4.714 4.320 0.001 0.000 0.270 265 K C -2.254 174.309 176.600 -0.061 0.000 1.003 265 K CA -1.205 55.045 56.287 -0.060 0.000 0.957 265 K CB 0.476 32.933 32.500 -0.073 0.000 0.939 265 K HN 0.115 nan 8.250 nan 0.000 0.482 266 P HA 0.083 nan 4.420 nan 0.000 0.271 266 P C -0.289 176.996 177.300 -0.025 0.000 1.218 266 P CA -0.116 62.969 63.100 -0.024 0.000 0.780 266 P CB 0.426 32.116 31.700 -0.017 0.000 0.901 267 I N 1.389 121.961 120.570 0.003 0.000 2.692 267 I HA 0.119 4.290 4.170 0.001 0.000 0.284 267 I C 1.050 177.175 176.117 0.014 0.000 1.159 267 I CA -0.339 60.985 61.300 0.039 0.000 1.423 267 I CB 0.471 38.527 38.000 0.093 0.000 1.380 267 I HN 0.392 nan 8.210 nan 0.000 0.580 268 A N 6.377 129.201 122.820 0.005 0.000 2.531 268 A HA 0.023 4.344 4.320 0.001 0.000 0.236 268 A C 1.484 179.054 177.584 -0.023 0.000 1.062 268 A CA -0.026 51.996 52.037 -0.026 0.000 0.760 268 A CB 0.063 19.029 19.000 -0.055 0.000 0.995 268 A HN 0.927 nan 8.150 nan 0.000 0.501 269 R N 1.310 121.795 120.500 -0.025 0.000 2.189 269 R HA -0.138 4.202 4.340 0.001 0.000 0.223 269 R C 1.931 178.217 176.300 -0.023 0.000 1.092 269 R CA 1.743 57.832 56.100 -0.019 0.000 0.989 269 R CB -0.185 30.105 30.300 -0.016 0.000 0.876 269 R HN 0.880 nan 8.270 nan 0.000 0.457 270 K N -0.130 120.251 120.400 -0.031 0.000 2.280 270 K HA 0.032 4.353 4.320 0.001 0.000 0.202 270 K C 0.515 177.094 176.600 -0.035 0.000 1.047 270 K CA 0.898 57.166 56.287 -0.031 0.000 0.942 270 K CB -0.193 32.285 32.500 -0.038 0.000 0.739 270 K HN 0.070 nan 8.250 nan 0.000 0.457 271 A N 2.140 124.934 122.820 -0.042 0.000 2.498 271 A HA 0.145 4.466 4.320 0.001 0.000 0.239 271 A C -0.502 177.046 177.584 -0.060 0.000 1.068 271 A CA -0.310 51.690 52.037 -0.062 0.000 0.766 271 A CB 0.109 19.063 19.000 -0.076 0.000 1.003 271 A HN 0.415 nan 8.150 nan 0.000 0.497 272 R N 1.262 121.719 120.500 -0.072 0.000 2.589 272 R HA 0.565 4.905 4.340 0.001 0.000 0.293 272 R C -0.710 175.547 176.300 -0.073 0.000 0.963 272 R CA -0.550 55.519 56.100 -0.051 0.000 0.905 272 R CB 1.831 32.116 30.300 -0.026 0.000 1.144 272 R HN 0.749 nan 8.270 nan 0.000 0.459 273 R N 1.153 121.633 120.500 -0.033 0.000 2.445 273 R HA 0.206 4.547 4.340 0.001 0.000 0.308 273 R C -0.228 176.116 176.300 0.074 0.000 0.961 273 R CA -0.811 55.289 56.100 0.000 0.000 0.862 273 R CB 1.199 31.518 30.300 0.032 0.000 1.144 273 R HN 0.544 nan 8.270 nan 0.000 0.447 274 H N 3.895 122.986 119.070 0.036 0.000 2.948 274 H HA -0.071 4.486 4.556 0.001 0.000 0.351 274 H C 0.727 176.103 175.328 0.080 0.000 1.079 274 H CA 0.998 57.094 56.048 0.080 0.000 1.407 274 H CB 1.110 30.967 29.762 0.158 0.000 1.373 274 H HN 0.671 nan 8.280 nan 0.000 0.605 275 K N 1.323 121.478 120.400 -0.407 0.000 2.281 275 K HA -0.119 4.201 4.320 0.001 0.000 0.203 275 K C 1.435 178.032 176.600 -0.005 0.000 1.046 275 K CA 1.659 57.832 56.287 -0.190 0.000 0.938 275 K CB 0.023 32.368 32.500 -0.258 0.000 0.737 275 K HN 0.420 nan 8.250 nan 0.000 0.458 276 S N 0.056 115.877 115.700 0.203 0.000 2.575 276 S HA 0.056 4.527 4.470 0.001 0.000 0.215 276 S C 0.614 175.376 174.600 0.270 0.000 0.966 276 S CA -0.089 58.283 58.200 0.288 0.000 0.911 276 S CB -0.183 63.249 63.200 0.387 0.000 0.780 276 S HN 0.445 nan 8.310 nan 0.000 0.514 277 N N 0.523 119.389 118.700 0.276 0.000 2.828 277 N HA -0.137 4.603 4.740 0.001 0.000 0.248 277 N C 0.745 176.435 175.510 0.300 0.000 1.044 277 N CA 0.889 54.109 53.050 0.282 0.000 0.851 277 N CB -1.610 37.010 38.487 0.220 0.000 1.136 277 N HN 0.667 nan 8.380 nan 0.000 0.572 278 G N -0.593 108.221 108.800 0.024 0.000 2.712 278 G HA2 0.296 4.257 3.960 0.001 0.000 0.212 278 G HA3 0.296 4.257 3.960 0.001 0.000 0.212 278 G C 0.581 175.404 174.900 -0.130 0.000 1.142 278 G CA 0.316 45.109 45.100 -0.512 0.000 0.789 278 G HN 0.386 nan 8.290 nan 0.000 0.535 279 I N 0.531 121.182 120.570 0.136 0.000 2.499 279 I HA 0.330 4.501 4.170 0.001 0.000 0.288 279 I C -1.424 174.609 176.117 -0.141 0.000 1.048 279 I CA -0.941 60.418 61.300 0.099 0.000 1.062 279 I CB 2.544 40.625 38.000 0.134 0.000 1.238 279 I HN -0.154 nan 8.210 nan 0.000 0.426 280 L N 6.890 127.756 121.223 -0.594 0.000 2.282 280 L HA 0.481 4.822 4.340 0.001 0.000 0.288 280 L C -0.518 176.077 176.870 -0.460 0.000 1.033 280 L CA 0.201 54.562 54.840 -0.799 0.000 0.807 280 L CB 1.005 42.096 42.059 -1.615 0.000 1.209 280 L HN 0.502 nan 8.230 nan 0.000 0.423 281 E N 6.354 126.391 120.200 -0.271 0.000 2.165 281 E HA 0.410 4.760 4.350 0.001 0.000 0.266 281 E C -1.045 175.478 176.600 -0.129 0.000 0.889 281 E CA -0.376 55.926 56.400 -0.164 0.000 0.756 281 E CB 2.004 31.657 29.700 -0.079 0.000 1.131 281 E HN 0.537 nan 8.360 nan 0.000 0.411 282 I N 5.021 125.537 120.570 -0.089 0.000 2.388 282 I HA 0.255 4.426 4.170 0.001 0.000 0.281 282 I C -2.299 173.854 176.117 0.061 0.000 1.046 282 I CA -2.303 58.994 61.300 -0.006 0.000 1.187 282 I CB 0.681 38.730 38.000 0.082 0.000 1.351 282 I HN 0.149 nan 8.210 nan 0.000 0.472 283 P HA 0.070 nan 4.420 nan 0.000 0.274 283 P C 0.020 177.343 177.300 0.038 0.000 1.237 283 P CA -0.294 62.819 63.100 0.022 0.000 0.793 283 P CB 0.440 32.138 31.700 -0.003 0.000 0.977 284 N N -0.115 118.610 118.700 0.042 0.000 2.686 284 N HA -0.243 4.497 4.740 0.001 0.000 0.261 284 N C -1.118 174.436 175.510 0.073 0.000 1.001 284 N CA 0.249 53.325 53.050 0.042 0.000 0.764 284 N CB -1.811 36.679 38.487 0.006 0.000 0.898 284 N HN 0.348 nan 8.380 nan 0.000 0.544 285 F N 1.082 121.025 119.950 -0.012 0.000 2.578 285 F HA 0.146 4.674 4.527 0.001 0.000 0.381 285 F C 0.964 176.848 175.800 0.140 0.000 1.069 285 F CA 0.589 58.607 58.000 0.030 0.000 1.231 285 F CB 0.465 39.467 39.000 0.004 0.000 1.086 285 F HN 0.225 nan 8.300 nan 0.000 0.564 286 Q N 3.380 123.002 119.800 -0.297 0.000 2.496 286 Q HA 0.143 4.484 4.340 0.001 0.000 0.286 286 Q C 0.612 176.245 176.000 -0.610 0.000 1.103 286 Q CA -0.744 54.930 55.803 -0.215 0.000 0.813 286 Q CB 1.445 30.049 28.738 -0.224 0.000 1.444 286 Q HN 0.671 nan 8.270 nan 0.000 0.443 287 Q N 1.449 120.609 119.800 -1.065 0.000 2.112 287 Q HA -0.225 4.116 4.340 0.001 0.000 0.206 287 Q C 1.444 177.169 176.000 -0.458 0.000 0.987 287 Q CA 2.443 57.594 55.803 -1.086 0.000 0.858 287 Q CB 0.075 28.258 28.738 -0.925 0.000 0.905 287 Q HN 0.698 nan 8.270 nan 0.000 0.420 288 E N -0.526 119.452 120.200 -0.370 0.000 2.333 288 E HA -0.196 4.155 4.350 0.001 0.000 0.198 288 E C 0.467 176.939 176.600 -0.213 0.000 1.007 288 E CA 1.323 57.586 56.400 -0.230 0.000 0.845 288 E CB -0.189 29.400 29.700 -0.185 0.000 0.766 288 E HN 0.462 nan 8.360 nan 0.000 0.507 289 D N 1.317 121.489 120.400 -0.380 0.000 2.347 289 D HA 0.124 4.765 4.640 0.001 0.000 0.213 289 D C 0.820 177.111 176.300 -0.015 0.000 0.985 289 D CA 0.628 54.389 54.000 -0.400 0.000 0.879 289 D CB 0.171 40.309 40.800 -1.103 0.000 0.919 289 D HN 0.285 nan 8.370 nan 0.000 0.526 290 A N 0.174 123.058 122.820 0.107 0.000 2.310 290 A HA 0.585 4.905 4.320 0.001 0.000 0.260 290 A C 1.023 178.805 177.584 0.330 0.000 1.112 290 A CA 0.603 52.898 52.037 0.430 0.000 0.804 290 A CB 0.290 19.520 19.000 0.382 0.000 1.081 290 A HN 0.304 nan 8.150 nan 0.000 0.499 291 G N -1.435 107.572 108.800 0.344 0.000 2.343 291 G HA2 0.263 4.224 3.960 0.001 0.000 0.562 291 G HA3 0.263 4.224 3.960 0.001 0.000 0.562 291 G C -0.377 174.686 174.900 0.273 0.000 1.269 291 G CA -0.224 45.005 45.100 0.213 0.000 1.011 291 G HN 1.313 nan 8.290 nan 0.000 0.498 292 S N 0.206 115.994 115.700 0.147 0.000 2.499 292 S HA 0.607 5.078 4.470 0.001 0.000 0.275 292 S C -0.751 173.919 174.600 0.118 0.000 1.257 292 S CA 0.008 58.324 58.200 0.193 0.000 1.050 292 S CB 0.502 63.777 63.200 0.125 0.000 0.937 292 S HN 0.471 nan 8.310 nan 0.000 0.490 293 Y N 1.501 121.922 120.300 0.200 0.000 2.457 293 Y HA 0.467 5.017 4.550 0.001 0.000 0.333 293 Y C 0.709 176.812 175.900 0.339 0.000 1.119 293 Y CA -0.931 57.293 58.100 0.207 0.000 1.143 293 Y CB 1.241 39.756 38.460 0.092 0.000 1.230 293 Y HN 0.577 nan 8.280 nan 0.000 0.469 294 E N 0.902 121.346 120.200 0.407 0.000 2.266 294 E HA 0.497 4.848 4.350 0.001 0.000 0.268 294 E C -1.572 175.165 176.600 0.229 0.000 0.879 294 E CA -0.889 55.703 56.400 0.320 0.000 0.762 294 E CB 2.429 32.213 29.700 0.140 0.000 1.199 294 E HN 0.602 nan 8.360 nan 0.000 0.422 295 c N 2.813 121.456 118.600 0.073 0.000 2.379 295 c HA 0.646 5.216 4.570 0.001 0.000 0.323 295 c C -0.774 173.176 174.090 -0.233 0.000 1.262 295 c CA -0.270 55.861 56.329 -0.330 0.000 1.581 295 c CB 0.027 42.167 42.510 -0.616 0.000 2.221 295 c HN 0.506 nan 8.230 nan 0.000 0.497 296 V N 5.953 125.716 119.914 -0.252 0.000 2.384 296 V HA 0.716 4.837 4.120 0.001 0.000 0.287 296 V C 0.549 176.513 176.094 -0.216 0.000 1.020 296 V CA -0.168 62.025 62.300 -0.177 0.000 0.850 296 V CB 1.263 33.017 31.823 -0.115 0.000 0.987 296 V HN 1.142 nan 8.190 nan 0.000 0.436 297 A N 4.427 127.127 122.820 -0.200 0.000 2.271 297 A HA 0.814 5.135 4.320 0.001 0.000 0.317 297 A C -0.360 177.128 177.584 -0.161 0.000 1.245 297 A CA -0.455 51.455 52.037 -0.212 0.000 0.857 297 A CB 0.866 19.722 19.000 -0.240 0.000 1.175 297 A HN 0.861 nan 8.150 nan 0.000 0.512 298 E N 1.973 122.081 120.200 -0.153 0.000 2.314 298 E HA 0.518 4.869 4.350 0.001 0.000 0.272 298 E C -1.081 175.445 176.600 -0.123 0.000 0.884 298 E CA -0.654 55.674 56.400 -0.120 0.000 0.753 298 E CB 1.599 31.242 29.700 -0.094 0.000 1.213 298 E HN 0.861 nan 8.360 nan 0.000 0.432 299 N N 0.060 118.693 118.700 -0.112 0.000 3.278 299 N HA 0.113 4.853 4.740 0.001 0.000 0.307 299 N C 0.178 175.637 175.510 -0.085 0.000 1.551 299 N CA -0.076 52.908 53.050 -0.110 0.000 0.794 299 N CB 0.453 38.851 38.487 -0.148 0.000 1.770 299 N HN 0.313 nan 8.380 nan 0.000 0.612 300 S N -1.349 114.304 115.700 -0.079 0.000 2.507 300 S HA -0.010 4.461 4.470 0.001 0.000 0.235 300 S C 0.859 175.428 174.600 -0.052 0.000 0.988 300 S CA 0.339 58.504 58.200 -0.058 0.000 0.944 300 S CB -0.312 62.857 63.200 -0.051 0.000 0.762 300 S HN 0.495 nan 8.310 nan 0.000 0.526 301 R N 1.372 121.834 120.500 -0.064 0.000 2.312 301 R HA 0.479 4.819 4.340 0.001 0.000 0.205 301 R C 1.145 177.423 176.300 -0.035 0.000 0.904 301 R CA 0.603 56.676 56.100 -0.044 0.000 1.052 301 R CB -0.222 30.052 30.300 -0.044 0.000 1.014 301 R HN 0.553 nan 8.270 nan 0.000 0.503 302 G N -0.017 108.754 108.800 -0.048 0.000 2.359 302 G HA2 0.138 4.099 3.960 0.001 0.000 0.293 302 G HA3 0.138 4.099 3.960 0.001 0.000 0.293 302 G C -1.666 173.201 174.900 -0.056 0.000 1.300 302 G CA -0.947 44.129 45.100 -0.041 0.000 0.888 302 G HN -0.032 nan 8.290 nan 0.000 0.541 303 K N 0.065 120.434 120.400 -0.052 0.000 2.498 303 K HA 0.583 4.904 4.320 0.001 0.000 0.254 303 K C -1.156 175.407 176.600 -0.062 0.000 0.933 303 K CA -1.004 55.244 56.287 -0.065 0.000 0.806 303 K CB 2.158 34.623 32.500 -0.058 0.000 1.301 303 K HN 0.492 nan 8.250 nan 0.000 0.432 304 N N 0.629 119.282 118.700 -0.079 0.000 2.357 304 N HA 0.516 5.256 4.740 0.001 0.000 0.284 304 N C -1.554 173.899 175.510 -0.094 0.000 1.236 304 N CA -0.557 52.447 53.050 -0.077 0.000 0.774 304 N CB 2.460 40.903 38.487 -0.073 0.000 1.534 304 N HN 0.112 nan 8.380 nan 0.000 0.478 305 V N 0.360 120.223 119.914 -0.085 0.000 2.709 305 V HA 0.729 4.850 4.120 0.001 0.000 0.308 305 V C -0.443 175.592 176.094 -0.100 0.000 1.062 305 V CA -0.928 61.319 62.300 -0.087 0.000 0.901 305 V CB 1.655 33.446 31.823 -0.054 0.000 1.003 305 V HN 0.826 nan 8.190 nan 0.000 0.425 306 A N 3.992 126.739 122.820 -0.122 0.000 2.317 306 A HA 0.837 5.157 4.320 0.001 0.000 0.327 306 A C -0.429 177.083 177.584 -0.119 0.000 1.178 306 A CA -0.561 51.355 52.037 -0.202 0.000 0.817 306 A CB 1.192 20.003 19.000 -0.315 0.000 1.189 306 A HN 0.738 nan 8.150 nan 0.000 0.489 307 K N 1.210 121.511 120.400 -0.166 0.000 2.435 307 K HA 0.704 5.024 4.320 0.001 0.000 0.251 307 K C -0.586 176.009 176.600 -0.008 0.000 0.954 307 K CA -0.406 55.911 56.287 0.049 0.000 0.820 307 K CB 2.377 34.911 32.500 0.057 0.000 1.292 307 K HN 1.086 nan 8.250 nan 0.000 0.436 308 G N 1.762 110.783 108.800 0.368 0.000 2.703 308 G HA2 0.223 4.184 3.960 0.001 0.000 0.294 308 G HA3 0.223 4.184 3.960 0.001 0.000 0.294 308 G C -1.762 173.389 174.900 0.418 0.000 1.451 308 G CA -0.546 44.784 45.100 0.384 0.000 0.869 308 G HN 0.434 nan 8.290 nan 0.000 0.516 309 Q N 0.290 120.258 119.800 0.280 0.000 2.314 309 Q HA 0.440 4.781 4.340 0.001 0.000 0.259 309 Q C -0.904 175.234 176.000 0.230 0.000 0.951 309 Q CA -0.730 55.222 55.803 0.248 0.000 0.909 309 Q CB 2.239 31.080 28.738 0.172 0.000 1.236 309 Q HN 0.295 nan 8.270 nan 0.000 0.444 310 L N 2.390 123.769 121.223 0.259 0.000 2.276 310 L HA 0.312 4.652 4.340 0.001 0.000 0.286 310 L C 0.138 177.138 176.870 0.217 0.000 1.061 310 L CA 0.268 55.210 54.840 0.170 0.000 0.807 310 L CB 1.587 43.729 42.059 0.138 0.000 1.177 310 L HN 0.458 nan 8.230 nan 0.000 0.429 311 T N 4.177 118.830 114.554 0.164 0.000 2.772 311 T HA 0.317 4.667 4.350 0.001 0.000 0.288 311 T C -0.305 174.551 174.700 0.260 0.000 0.994 311 T CA -0.322 61.909 62.100 0.217 0.000 0.951 311 T CB 0.151 69.121 68.868 0.170 0.000 0.933 311 T HN 0.206 nan 8.240 nan 0.000 0.447 312 F N 5.821 125.885 119.950 0.190 0.000 2.572 312 F HA 0.422 4.950 4.527 0.001 0.000 0.370 312 F C -0.280 175.613 175.800 0.155 0.000 1.103 312 F CA -0.402 57.708 58.000 0.184 0.000 1.286 312 F CB 0.152 39.278 39.000 0.210 0.000 1.105 312 F HN 0.621 nan 8.300 nan 0.000 0.583 313 Y N 2.959 122.823 120.300 -0.726 0.000 2.615 313 Y HA 0.837 5.387 4.550 0.001 0.000 0.341 313 Y C -1.830 173.546 175.900 -0.872 0.000 1.089 313 Y CA -1.606 56.066 58.100 -0.714 0.000 1.049 313 Y CB 1.050 39.072 38.460 -0.729 0.000 1.296 313 Y HN 0.776 nan 8.280 nan 0.000 0.470 314 A N 2.397 124.971 122.820 -0.410 0.000 2.459 314 A HA 0.478 4.798 4.320 0.001 0.000 0.296 314 A C -1.288 176.259 177.584 -0.063 0.000 1.039 314 A CA -0.988 50.842 52.037 -0.344 0.000 0.698 314 A CB 1.424 20.259 19.000 -0.274 0.000 1.261 314 A HN 0.853 nan 8.150 nan 0.000 0.405 315 Q N 1.632 121.410 119.800 -0.037 0.000 2.479 315 Q HA 0.213 4.554 4.340 0.001 0.000 0.267 315 Q C -2.121 173.825 176.000 -0.089 0.000 1.071 315 Q CA -1.092 54.709 55.803 -0.003 0.000 0.935 315 Q CB 0.126 28.862 28.738 -0.003 0.000 1.295 315 Q HN 0.461 nan 8.270 nan 0.000 0.476 316 P HA -0.028 nan 4.420 nan 0.000 0.268 316 P C -1.308 175.824 177.300 -0.281 0.000 1.205 316 P CA 0.015 62.961 63.100 -0.257 0.000 0.771 316 P CB 0.382 31.840 31.700 -0.404 0.000 0.858 317 N N 0.357 118.906 118.700 -0.252 0.000 2.258 317 N HA 0.368 5.109 4.740 0.001 0.000 0.299 317 N C -1.411 174.001 175.510 -0.163 0.000 1.047 317 N CA -1.041 51.895 53.050 -0.190 0.000 0.814 317 N CB 0.962 39.416 38.487 -0.055 0.000 1.413 317 N HN 0.290 nan 8.380 nan 0.000 0.478 318 W N 2.066 123.373 121.300 0.012 0.000 2.308 318 W HA 0.223 4.884 4.660 0.001 0.000 0.324 318 W C 0.660 177.198 176.519 0.031 0.000 1.387 318 W CA -0.721 56.636 57.345 0.020 0.000 1.250 318 W CB 0.955 30.421 29.460 0.010 0.000 1.257 318 W HN 0.371 nan 8.180 nan 0.000 0.554 319 V N 1.872 122.004 119.914 0.364 0.000 3.048 319 V HA 0.026 4.147 4.120 0.001 0.000 0.241 319 V C 0.121 176.328 176.094 0.190 0.000 1.129 319 V CA 0.795 63.229 62.300 0.224 0.000 1.128 319 V CB 0.295 32.224 31.823 0.178 0.000 0.849 319 V HN 0.566 nan 8.190 nan 0.000 0.475 320 Q N 0.890 120.818 119.800 0.214 0.000 2.263 320 Q HA 0.540 4.881 4.340 0.001 0.000 0.266 320 Q C -1.165 174.806 176.000 -0.048 0.000 1.002 320 Q CA -0.459 55.397 55.803 0.089 0.000 0.790 320 Q CB 2.244 31.035 28.738 0.088 0.000 1.272 320 Q HN 0.606 nan 8.270 nan 0.000 0.435 321 I N 1.247 121.700 120.570 -0.195 0.000 2.924 321 I HA 0.589 4.759 4.170 0.001 0.000 0.316 321 I C 0.154 176.090 176.117 -0.302 0.000 1.014 321 I CA -1.341 59.672 61.300 -0.478 0.000 1.106 321 I CB 1.051 38.714 38.000 -0.562 0.000 1.311 321 I HN 0.634 nan 8.210 nan 0.000 0.502 322 I N 0.859 121.186 120.570 -0.406 0.000 2.472 322 I HA 0.475 4.645 4.170 0.001 0.000 0.290 322 I C -0.818 175.235 176.117 -0.106 0.000 1.016 322 I CA -0.256 60.860 61.300 -0.308 0.000 1.348 322 I CB 0.612 38.114 38.000 -0.830 0.000 1.417 322 I HN 0.686 nan 8.210 nan 0.000 0.521 323 N N 2.920 121.723 118.700 0.172 0.000 2.457 323 N HA 0.316 5.057 4.740 0.001 0.000 0.290 323 N C -1.261 174.450 175.510 0.335 0.000 1.232 323 N CA -0.830 52.325 53.050 0.176 0.000 0.852 323 N CB 0.842 39.408 38.487 0.133 0.000 1.313 323 N HN 0.580 nan 8.380 nan 0.000 0.522 324 D N 0.600 121.121 120.400 0.203 0.000 2.472 324 D HA 0.119 4.760 4.640 0.001 0.000 0.237 324 D C -0.415 175.943 176.300 0.097 0.000 1.141 324 D CA 0.742 54.844 54.000 0.170 0.000 0.875 324 D CB 0.510 41.348 40.800 0.064 0.000 1.192 324 D HN 0.279 nan 8.370 nan 0.000 0.450 325 I N 1.795 122.322 120.570 -0.071 0.000 2.436 325 I HA 0.155 4.326 4.170 0.001 0.000 0.289 325 I C -0.567 175.355 176.117 -0.325 0.000 1.010 325 I CA -0.720 60.434 61.300 -0.243 0.000 1.098 325 I CB 1.341 38.976 38.000 -0.608 0.000 1.266 325 I HN 0.229 nan 8.210 nan 0.000 0.434 326 H N 4.870 123.872 119.070 -0.113 0.000 2.551 326 H HA 0.637 5.194 4.556 0.001 0.000 0.321 326 H C -0.784 174.483 175.328 -0.101 0.000 1.028 326 H CA -0.381 55.613 56.048 -0.090 0.000 1.215 326 H CB 1.925 31.650 29.762 -0.062 0.000 1.414 326 H HN 0.249 nan 8.280 nan 0.000 0.480 327 V N 2.028 121.931 119.914 -0.018 0.000 3.078 327 V HA 0.867 4.987 4.120 0.001 0.000 0.311 327 V C -0.922 175.155 176.094 -0.029 0.000 1.138 327 V CA -0.697 61.572 62.300 -0.052 0.000 1.007 327 V CB 2.074 33.820 31.823 -0.128 0.000 1.045 327 V HN 0.883 nan 8.190 nan 0.000 0.432 328 A N 4.966 127.768 122.820 -0.030 0.000 2.294 328 A HA 0.788 5.109 4.320 0.001 0.000 0.330 328 A C -0.011 177.559 177.584 -0.023 0.000 1.133 328 A CA -0.862 51.165 52.037 -0.017 0.000 0.836 328 A CB 0.973 19.965 19.000 -0.013 0.000 1.190 328 A HN 0.908 nan 8.150 nan 0.000 0.492 329 M N 0.776 120.369 119.600 -0.013 0.000 2.245 329 M HA 0.013 4.493 4.480 0.001 0.000 0.335 329 M C 0.613 176.903 176.300 -0.018 0.000 1.155 329 M CA 1.334 56.627 55.300 -0.013 0.000 1.055 329 M CB -0.241 32.356 32.600 -0.004 0.000 1.670 329 M HN 0.998 nan 8.290 nan 0.000 0.447 330 E N -1.215 118.973 120.200 -0.020 0.000 3.975 330 E HA -0.189 4.162 4.350 0.001 0.000 0.342 330 E C -0.298 176.286 176.600 -0.028 0.000 0.677 330 E CA 1.055 57.443 56.400 -0.021 0.000 1.238 330 E CB -0.538 29.153 29.700 -0.015 0.000 1.665 330 E HN 0.647 nan 8.360 nan 0.000 0.429 331 E N 0.650 120.829 120.200 -0.036 0.000 2.421 331 E HA 0.312 4.662 4.350 0.001 0.000 0.253 331 E C 0.468 177.036 176.600 -0.053 0.000 1.277 331 E CA 0.468 56.841 56.400 -0.044 0.000 0.968 331 E CB 0.686 30.355 29.700 -0.052 0.000 1.040 331 E HN 0.228 nan 8.360 nan 0.000 0.512 332 S N -1.232 114.434 115.700 -0.057 0.000 2.715 332 S HA 0.757 5.228 4.470 0.001 0.000 0.307 332 S C -0.451 174.096 174.600 -0.088 0.000 1.119 332 S CA -0.910 57.253 58.200 -0.061 0.000 0.937 332 S CB 1.585 64.765 63.200 -0.035 0.000 1.150 332 S HN 0.178 nan 8.310 nan 0.000 0.521 333 V N 1.310 121.167 119.914 -0.095 0.000 2.733 333 V HA 0.599 4.720 4.120 0.001 0.000 0.306 333 V C -1.825 174.235 176.094 -0.057 0.000 1.084 333 V CA -0.544 61.656 62.300 -0.167 0.000 0.905 333 V CB 1.699 33.324 31.823 -0.330 0.000 1.010 333 V HN 0.888 nan 8.190 nan 0.000 0.424 334 F N 4.762 124.602 119.950 -0.183 0.000 2.507 334 F HA 0.767 5.295 4.527 0.001 0.000 0.328 334 F C -1.492 174.306 175.800 -0.003 0.000 1.136 334 F CA -0.535 57.415 58.000 -0.084 0.000 0.930 334 F CB 1.604 40.577 39.000 -0.045 0.000 1.166 334 F HN 0.499 nan 8.300 nan 0.000 0.436 335 W N 6.120 127.075 121.300 -0.575 0.000 2.739 335 W HA 0.473 5.133 4.660 0.001 0.000 0.331 335 W C -1.303 175.042 176.519 -0.290 0.000 1.049 335 W CA -1.065 56.106 57.345 -0.291 0.000 1.234 335 W CB 1.854 31.177 29.460 -0.228 0.000 1.404 335 W HN 0.593 nan 8.180 nan 0.000 0.477 336 E N 3.213 123.527 120.200 0.190 0.000 2.275 336 E HA 0.544 4.895 4.350 0.001 0.000 0.270 336 E C -0.892 175.733 176.600 0.042 0.000 0.882 336 E CA -0.411 56.050 56.400 0.102 0.000 0.758 336 E CB 1.448 31.224 29.700 0.127 0.000 1.195 336 E HN 0.429 nan 8.360 nan 0.000 0.419 337 c N 2.278 120.839 118.600 -0.064 0.000 2.470 337 c HA 0.814 5.385 4.570 0.001 0.000 0.341 337 c C -0.767 173.306 174.090 -0.029 0.000 1.190 337 c CA -0.749 55.516 56.329 -0.107 0.000 1.904 337 c CB 0.740 43.085 42.510 -0.275 0.000 2.354 337 c HN 0.756 nan 8.230 nan 0.000 0.509 338 K N 1.326 121.866 120.400 0.233 0.000 2.513 338 K HA 0.762 5.083 4.320 0.001 0.000 0.251 338 K C -1.013 175.886 176.600 0.498 0.000 0.939 338 K CA -0.142 56.325 56.287 0.300 0.000 0.793 338 K CB 2.356 34.967 32.500 0.184 0.000 1.241 338 K HN 1.076 nan 8.250 nan 0.000 0.431 339 A N 2.627 125.704 122.820 0.429 0.000 2.475 339 A HA 0.626 4.947 4.320 0.001 0.000 0.301 339 A C -1.109 176.513 177.584 0.064 0.000 1.059 339 A CA -0.848 51.265 52.037 0.127 0.000 0.710 339 A CB 1.172 20.017 19.000 -0.259 0.000 1.288 339 A HN 0.644 nan 8.150 nan 0.000 0.408 340 N N -0.399 118.309 118.700 0.012 0.000 2.502 340 N HA 0.850 5.591 4.740 0.001 0.000 0.280 340 N C 0.150 175.633 175.510 -0.045 0.000 1.223 340 N CA 0.647 53.704 53.050 0.012 0.000 0.966 340 N CB 1.792 40.306 38.487 0.045 0.000 1.203 340 N HN 1.439 nan 8.380 nan 0.000 0.565 341 G N -0.564 108.231 108.800 -0.008 0.000 2.352 341 G HA2 0.363 4.323 3.960 0.001 0.000 0.302 341 G HA3 0.363 4.323 3.960 0.001 0.000 0.302 341 G C -1.853 173.066 174.900 0.032 0.000 1.370 341 G CA -0.857 44.230 45.100 -0.021 0.000 0.918 341 G HN 0.609 nan 8.290 nan 0.000 0.610 342 R N 0.569 121.096 120.500 0.045 0.000 2.510 342 R HA 0.676 5.017 4.340 0.001 0.000 0.287 342 R C -2.921 173.472 176.300 0.156 0.000 1.084 342 R CA -1.425 54.738 56.100 0.105 0.000 0.934 342 R CB 2.107 32.514 30.300 0.178 0.000 1.201 342 R HN 0.456 nan 8.270 nan 0.000 0.431 343 P HA 0.064 nan 4.420 nan 0.000 0.272 343 P C -1.140 176.176 177.300 0.027 0.000 1.230 343 P CA -0.453 62.696 63.100 0.080 0.000 0.788 343 P CB 0.529 32.255 31.700 0.043 0.000 0.949 344 K N 2.973 123.387 120.400 0.022 0.000 2.491 344 K HA 0.043 4.364 4.320 0.001 0.000 0.279 344 K C -2.141 174.406 176.600 -0.088 0.000 1.026 344 K CA -0.900 55.382 56.287 -0.008 0.000 1.070 344 K CB -0.660 31.854 32.500 0.023 0.000 0.887 344 K HN 0.277 nan 8.250 nan 0.000 0.481 345 P HA -0.010 nan 4.420 nan 0.000 0.269 345 P C -0.803 176.211 177.300 -0.476 0.000 1.209 345 P CA -0.151 62.737 63.100 -0.353 0.000 0.776 345 P CB 0.852 32.257 31.700 -0.493 0.000 0.876 346 T N -0.476 113.808 114.554 -0.449 0.000 2.936 346 T HA 0.597 4.947 4.350 0.001 0.000 0.282 346 T C -0.795 173.546 174.700 -0.598 0.000 1.003 346 T CA -0.493 61.376 62.100 -0.386 0.000 1.005 346 T CB 0.560 69.345 68.868 -0.139 0.000 1.097 346 T HN 0.182 nan 8.240 nan 0.000 0.532 347 Y N -0.173 120.111 120.300 -0.028 0.000 2.536 347 Y HA 0.717 5.267 4.550 0.001 0.000 0.347 347 Y C 0.564 176.448 175.900 -0.026 0.000 1.000 347 Y CA -1.220 56.843 58.100 -0.063 0.000 1.051 347 Y CB 2.100 40.546 38.460 -0.023 0.000 1.259 347 Y HN 0.895 nan 8.280 nan 0.000 0.468 348 R N -0.202 120.327 120.500 0.047 0.000 2.764 348 R HA 0.647 4.988 4.340 0.001 0.000 0.270 348 R C -2.210 174.071 176.300 -0.032 0.000 1.014 348 R CA -1.005 55.160 56.100 0.109 0.000 0.904 348 R CB 1.735 32.085 30.300 0.084 0.000 1.236 348 R HN 0.644 nan 8.270 nan 0.000 0.466 349 W N 1.119 122.473 121.300 0.090 0.000 2.689 349 W HA 0.612 5.273 4.660 0.001 0.000 0.340 349 W C -0.702 175.868 176.519 0.085 0.000 1.060 349 W CA -0.688 56.711 57.345 0.091 0.000 1.218 349 W CB 1.754 31.272 29.460 0.096 0.000 1.410 349 W HN 0.273 nan 8.180 nan 0.000 0.528 350 L N 2.479 123.880 121.223 0.297 0.000 2.342 350 L HA 0.595 4.935 4.340 0.001 0.000 0.271 350 L C -0.266 176.677 176.870 0.123 0.000 1.008 350 L CA -1.300 53.648 54.840 0.181 0.000 0.818 350 L CB 1.903 44.035 42.059 0.122 0.000 1.296 350 L HN 0.282 nan 8.230 nan 0.000 0.427 351 K N 2.464 122.851 120.400 -0.023 0.000 2.413 351 K HA 0.296 4.616 4.320 0.001 0.000 0.257 351 K C -0.461 176.023 176.600 -0.193 0.000 0.946 351 K CA -0.491 55.617 56.287 -0.297 0.000 0.823 351 K CB 0.804 33.062 32.500 -0.403 0.000 1.109 351 K HN 0.646 nan 8.250 nan 0.000 0.427 352 N N 3.058 121.638 118.700 -0.200 0.000 2.721 352 N HA -0.224 4.517 4.740 0.001 0.000 0.249 352 N C 0.565 176.029 175.510 -0.076 0.000 1.072 352 N CA 1.611 54.587 53.050 -0.122 0.000 0.710 352 N CB -1.283 37.136 38.487 -0.114 0.000 0.993 352 N HN 1.105 nan 8.380 nan 0.000 0.547 353 G N -1.714 107.054 108.800 -0.053 0.000 2.225 353 G HA2 -0.279 3.682 3.960 0.001 0.000 0.254 353 G HA3 -0.279 3.682 3.960 0.001 0.000 0.254 353 G C -0.351 174.552 174.900 0.004 0.000 0.988 353 G CA 0.454 45.539 45.100 -0.024 0.000 0.625 353 G HN 0.485 nan 8.290 nan 0.000 0.527 354 D N 1.631 122.031 120.400 -0.000 0.000 2.163 354 D HA 0.498 5.139 4.640 0.001 0.000 0.248 354 D C -2.435 173.895 176.300 0.050 0.000 1.035 354 D CA -1.353 52.660 54.000 0.020 0.000 0.872 354 D CB 1.531 42.335 40.800 0.006 0.000 1.183 354 D HN 0.014 nan 8.370 nan 0.000 0.445 355 P HA 0.030 nan 4.420 nan 0.000 0.264 355 P C -0.466 176.896 177.300 0.102 0.000 1.193 355 P CA -0.269 62.890 63.100 0.098 0.000 0.763 355 P CB 0.446 32.194 31.700 0.080 0.000 0.810 356 L N 5.376 126.692 121.223 0.155 0.000 2.319 356 L HA 0.449 4.789 4.340 0.001 0.000 0.281 356 L C -1.207 175.744 176.870 0.135 0.000 1.005 356 L CA -0.146 54.779 54.840 0.142 0.000 0.828 356 L CB 0.338 42.512 42.059 0.192 0.000 1.227 356 L HN 0.213 nan 8.230 nan 0.000 0.415 357 L N 2.640 123.915 121.223 0.085 0.000 2.286 357 L HA 0.592 4.933 4.340 0.001 0.000 0.265 357 L C 0.513 177.404 176.870 0.035 0.000 1.012 357 L CA -1.021 53.860 54.840 0.068 0.000 0.818 357 L CB 1.782 43.879 42.059 0.064 0.000 1.337 357 L HN 0.412 nan 8.230 nan 0.000 0.438 358 T N 2.578 117.147 114.554 0.024 0.000 2.905 358 T HA 0.174 4.525 4.350 0.001 0.000 0.299 358 T C 0.077 174.785 174.700 0.014 0.000 1.024 358 T CA 0.164 62.269 62.100 0.008 0.000 1.151 358 T CB -0.102 68.774 68.868 0.013 0.000 0.987 358 T HN 0.613 nan 8.240 nan 0.000 0.535 359 R N 2.007 122.512 120.500 0.009 0.000 3.174 359 R HA 0.325 4.666 4.340 0.001 0.000 0.261 359 R C -1.328 174.976 176.300 0.008 0.000 1.071 359 R CA -0.824 55.283 56.100 0.012 0.000 0.936 359 R CB 0.093 30.403 30.300 0.017 0.000 1.436 359 R HN 0.485 nan 8.270 nan 0.000 0.424 360 D N 0.551 120.956 120.400 0.009 0.000 2.520 360 D HA 0.113 4.753 4.640 0.001 0.000 0.243 360 D C 0.268 176.570 176.300 0.004 0.000 1.160 360 D CA 1.262 55.266 54.000 0.007 0.000 0.877 360 D CB 0.376 41.181 40.800 0.008 0.000 1.150 360 D HN 0.566 nan 8.370 nan 0.000 0.494 361 R N 1.338 121.838 120.500 -0.000 0.000 3.590 361 R HA -0.161 4.180 4.340 0.001 0.000 0.463 361 R C -0.266 176.025 176.300 -0.015 0.000 0.657 361 R CA 0.981 57.077 56.100 -0.006 0.000 1.512 361 R CB -1.504 28.793 30.300 -0.004 0.000 2.154 361 R HN 0.524 nan 8.270 nan 0.000 0.409 362 I N 1.565 122.126 120.570 -0.015 0.000 2.411 362 I HA 0.210 4.381 4.170 0.001 0.000 0.284 362 I C -0.208 175.883 176.117 -0.043 0.000 1.012 362 I CA -0.402 60.876 61.300 -0.036 0.000 1.119 362 I CB 1.713 39.700 38.000 -0.021 0.000 1.261 362 I HN 0.058 nan 8.210 nan 0.000 0.448 363 Q N 6.808 126.571 119.800 -0.061 0.000 2.347 363 Q HA 0.472 4.813 4.340 0.001 0.000 0.262 363 Q C -1.258 174.678 176.000 -0.108 0.000 0.980 363 Q CA -0.619 55.155 55.803 -0.048 0.000 0.867 363 Q CB 1.429 30.162 28.738 -0.009 0.000 1.242 363 Q HN 0.517 nan 8.270 nan 0.000 0.453 364 I N 4.031 124.546 120.570 -0.090 0.000 2.354 364 I HA 0.362 4.532 4.170 0.001 0.000 0.286 364 I C -0.470 175.641 176.117 -0.010 0.000 1.007 364 I CA -0.451 60.769 61.300 -0.133 0.000 1.167 364 I CB 1.418 39.357 38.000 -0.103 0.000 1.320 364 I HN 0.630 nan 8.210 nan 0.000 0.458 365 E N 6.030 126.238 120.200 0.014 0.000 2.325 365 E HA 0.374 4.724 4.350 0.001 0.000 0.248 365 E C -0.015 176.674 176.600 0.149 0.000 0.912 365 E CA -0.433 56.018 56.400 0.086 0.000 0.782 365 E CB 1.822 31.569 29.700 0.078 0.000 1.264 365 E HN 0.500 nan 8.360 nan 0.000 0.417 366 Q N 0.422 120.347 119.800 0.209 0.000 1.802 366 Q HA -0.261 4.080 4.340 0.001 0.000 0.387 366 Q C 1.094 177.284 176.000 0.317 0.000 0.822 366 Q CA 2.067 58.041 55.803 0.285 0.000 0.840 366 Q CB -1.507 27.379 28.738 0.247 0.000 3.553 366 Q HN 0.715 nan 8.270 nan 0.000 0.735 367 G N 0.326 109.097 108.800 -0.049 0.000 3.379 367 G HA2 0.367 4.328 3.960 0.001 0.000 0.253 367 G HA3 0.367 4.328 3.960 0.001 0.000 0.253 367 G C -0.405 174.602 174.900 0.178 0.000 1.262 367 G CA 0.596 45.517 45.100 -0.299 0.000 0.959 367 G HN 0.671 nan 8.290 nan 0.000 0.524 368 T N -2.174 112.524 114.554 0.241 0.000 2.876 368 T HA 0.676 5.026 4.350 0.001 0.000 0.289 368 T C -0.929 173.526 174.700 -0.407 0.000 1.014 368 T CA -0.907 61.142 62.100 -0.085 0.000 0.986 368 T CB 2.522 71.275 68.868 -0.192 0.000 1.021 368 T HN 0.123 nan 8.240 nan 0.000 0.458 369 L N 2.519 123.288 121.223 -0.757 0.000 2.376 369 L HA 0.734 5.074 4.340 0.001 0.000 0.275 369 L C -1.388 175.158 176.870 -0.540 0.000 0.987 369 L CA -0.679 53.682 54.840 -0.799 0.000 0.828 369 L CB 1.732 43.061 42.059 -1.216 0.000 1.249 369 L HN 0.815 nan 8.230 nan 0.000 0.409 370 N N 5.674 124.200 118.700 -0.289 0.000 2.442 370 N HA 0.491 5.231 4.740 0.001 0.000 0.274 370 N C -1.529 173.937 175.510 -0.074 0.000 1.002 370 N CA -0.339 52.666 53.050 -0.074 0.000 0.910 370 N CB 1.311 39.874 38.487 0.127 0.000 1.244 370 N HN 0.594 nan 8.380 nan 0.000 0.492 371 I N 2.873 123.393 120.570 -0.083 0.000 2.330 371 I HA 0.177 4.347 4.170 0.001 0.000 0.289 371 I C 1.599 177.689 176.117 -0.045 0.000 1.001 371 I CA -0.492 60.763 61.300 -0.074 0.000 1.193 371 I CB 1.719 39.652 38.000 -0.110 0.000 1.345 371 I HN 0.639 nan 8.210 nan 0.000 0.461 372 T N 4.205 118.742 114.554 -0.027 0.000 2.732 372 T HA 0.115 4.465 4.350 0.001 0.000 0.261 372 T C 0.736 175.420 174.700 -0.026 0.000 1.040 372 T CA 0.998 63.087 62.100 -0.018 0.000 1.145 372 T CB 0.104 68.966 68.868 -0.011 0.000 0.866 372 T HN 0.386 nan 8.240 nan 0.000 0.427 373 I N 2.008 122.563 120.570 -0.025 0.000 2.476 373 I HA 0.367 4.538 4.170 0.001 0.000 0.281 373 I C -0.838 175.263 176.117 -0.027 0.000 1.040 373 I CA -1.107 60.178 61.300 -0.025 0.000 1.094 373 I CB 2.409 40.399 38.000 -0.016 0.000 1.219 373 I HN -0.016 nan 8.210 nan 0.000 0.450 374 V N 6.643 126.535 119.914 -0.037 0.000 2.637 374 V HA 0.079 4.200 4.120 0.001 0.000 0.296 374 V C 0.175 176.258 176.094 -0.018 0.000 1.046 374 V CA 0.039 62.316 62.300 -0.038 0.000 1.066 374 V CB 0.980 32.767 31.823 -0.059 0.000 0.968 374 V HN 0.912 nan 8.190 nan 0.000 0.483 375 N N 3.966 122.663 118.700 -0.005 0.000 2.653 375 N HA 0.444 5.185 4.740 0.001 0.000 0.294 375 N C 0.416 175.936 175.510 0.017 0.000 1.305 375 N CA -0.982 52.071 53.050 0.005 0.000 0.827 375 N CB 0.887 39.379 38.487 0.008 0.000 1.415 375 N HN 0.271 nan 8.380 nan 0.000 0.546 376 L N -0.530 120.705 121.223 0.021 0.000 2.191 376 L HA -0.126 4.215 4.340 0.001 0.000 0.212 376 L C 2.059 178.955 176.870 0.043 0.000 1.103 376 L CA 1.543 56.402 54.840 0.032 0.000 0.769 376 L CB -0.590 41.486 42.059 0.028 0.000 0.908 376 L HN 0.799 nan 8.230 nan 0.000 0.438 377 S N -1.592 114.131 115.700 0.039 0.000 2.515 377 S HA -0.124 4.346 4.470 0.001 0.000 0.231 377 S C 1.389 176.032 174.600 0.071 0.000 0.987 377 S CA 0.708 58.934 58.200 0.044 0.000 0.936 377 S CB -0.212 63.007 63.200 0.032 0.000 0.766 377 S HN 0.367 nan 8.310 nan 0.000 0.528 378 D N 2.211 122.662 120.400 0.084 0.000 2.277 378 D HA 0.238 4.879 4.640 0.001 0.000 0.208 378 D C 1.012 177.442 176.300 0.217 0.000 0.962 378 D CA 0.733 54.820 54.000 0.146 0.000 0.865 378 D CB -0.396 40.454 40.800 0.083 0.000 0.939 378 D HN 0.606 nan 8.370 nan 0.000 0.510 379 A N 0.416 123.324 122.820 0.147 0.000 2.565 379 A HA 0.465 4.786 4.320 0.001 0.000 0.237 379 A C 0.921 178.630 177.584 0.209 0.000 1.053 379 A CA 1.009 53.152 52.037 0.176 0.000 0.755 379 A CB 0.171 19.257 19.000 0.143 0.000 0.980 379 A HN 0.279 nan 8.150 nan 0.000 0.506 380 G N 1.121 110.085 108.800 0.274 0.000 2.315 380 G HA2 0.467 4.428 3.960 0.001 0.000 0.294 380 G HA3 0.467 4.428 3.960 0.001 0.000 0.294 380 G C -1.055 173.970 174.900 0.208 0.000 1.300 380 G CA -0.923 44.271 45.100 0.158 0.000 0.843 380 G HN 0.596 nan 8.290 nan 0.000 0.527 381 M N 0.177 119.797 119.600 0.033 0.000 2.264 381 M HA 0.570 5.051 4.480 0.001 0.000 0.352 381 M C -1.236 175.026 176.300 -0.065 0.000 1.173 381 M CA -0.510 54.835 55.300 0.075 0.000 1.075 381 M CB 0.853 33.451 32.600 -0.003 0.000 1.621 381 M HN 0.504 nan 8.290 nan 0.000 0.457 382 Y N 0.726 121.065 120.300 0.065 0.000 2.536 382 Y HA 0.515 5.066 4.550 0.001 0.000 0.347 382 Y C -0.150 175.713 175.900 -0.062 0.000 1.000 382 Y CA -0.728 57.403 58.100 0.051 0.000 1.051 382 Y CB 1.921 40.417 38.460 0.060 0.000 1.259 382 Y HN 0.528 nan 8.280 nan 0.000 0.468 383 Q N 1.331 121.211 119.800 0.133 0.000 2.305 383 Q HA 0.448 4.789 4.340 0.001 0.000 0.271 383 Q C -1.568 174.326 176.000 -0.176 0.000 1.046 383 Q CA -0.654 55.147 55.803 -0.004 0.000 0.798 383 Q CB 2.931 31.732 28.738 0.105 0.000 1.286 383 Q HN 0.738 nan 8.270 nan 0.000 0.435 384 c N 3.159 121.469 118.600 -0.484 0.000 2.295 384 c HA 0.668 5.239 4.570 0.001 0.000 0.331 384 c C -0.259 173.678 174.090 -0.255 0.000 1.280 384 c CA -0.149 55.637 56.329 -0.905 0.000 1.746 384 c CB 0.008 41.787 42.510 -1.219 0.000 2.328 384 c HN 0.622 nan 8.230 nan 0.000 0.521 385 V N 5.832 125.609 119.914 -0.228 0.000 2.448 385 V HA 0.758 4.879 4.120 0.001 0.000 0.295 385 V C 0.364 176.374 176.094 -0.141 0.000 1.025 385 V CA -0.326 61.880 62.300 -0.157 0.000 0.859 385 V CB 1.372 33.039 31.823 -0.261 0.000 0.988 385 V HN 1.061 nan 8.190 nan 0.000 0.431 386 A N 4.755 127.400 122.820 -0.291 0.000 2.342 386 A HA 0.940 5.260 4.320 0.001 0.000 0.323 386 A C -0.385 176.878 177.584 -0.534 0.000 1.125 386 A CA -0.528 51.201 52.037 -0.515 0.000 0.785 386 A CB 1.142 19.689 19.000 -0.755 0.000 1.221 386 A HN 0.994 nan 8.150 nan 0.000 0.463 387 E N 1.332 121.247 120.200 -0.475 0.000 2.390 387 E HA 0.569 4.919 4.350 0.001 0.000 0.280 387 E C -1.444 174.986 176.600 -0.285 0.000 0.992 387 E CA -0.937 55.251 56.400 -0.353 0.000 0.790 387 E CB 1.495 31.017 29.700 -0.297 0.000 1.248 387 E HN 0.647 nan 8.360 nan 0.000 0.447 388 N N 0.685 119.254 118.700 -0.218 0.000 3.229 388 N HA 0.269 5.009 4.740 0.001 0.000 0.315 388 N C 0.214 175.597 175.510 -0.212 0.000 1.520 388 N CA -0.923 52.019 53.050 -0.179 0.000 0.769 388 N CB 0.569 38.990 38.487 -0.111 0.000 1.766 388 N HN 0.502 nan 8.380 nan 0.000 0.618 389 K N -1.111 119.107 120.400 -0.304 0.000 2.144 389 K HA -0.183 4.137 4.320 0.001 0.000 0.209 389 K C 0.650 176.943 176.600 -0.510 0.000 1.047 389 K CA 1.698 57.695 56.287 -0.482 0.000 0.927 389 K CB -0.347 31.639 32.500 -0.857 0.000 0.716 389 K HN 0.493 nan 8.250 nan 0.000 0.454 390 H N -1.620 117.349 119.070 -0.168 0.000 2.575 390 H HA 0.252 4.808 4.556 0.001 0.000 0.267 390 H C 0.822 176.094 175.328 -0.093 0.000 0.966 390 H CA 0.718 56.668 56.048 -0.164 0.000 1.165 390 H CB 1.093 30.757 29.762 -0.163 0.000 1.433 390 H HN 0.238 nan 8.280 nan 0.000 0.544 391 G N -0.038 108.742 108.800 -0.033 0.000 2.387 391 G HA2 0.374 4.335 3.960 0.001 0.000 0.294 391 G HA3 0.374 4.335 3.960 0.001 0.000 0.294 391 G C -1.871 172.940 174.900 -0.147 0.000 1.509 391 G CA -0.564 44.502 45.100 -0.057 0.000 0.806 391 G HN 0.016 nan 8.290 nan 0.000 0.546 392 V N 1.156 120.971 119.914 -0.165 0.000 2.656 392 V HA 0.771 4.892 4.120 0.001 0.000 0.307 392 V C 0.106 175.990 176.094 -0.350 0.000 1.051 392 V CA -0.660 61.460 62.300 -0.301 0.000 0.893 392 V CB 1.504 33.155 31.823 -0.287 0.000 0.999 392 V HN 0.975 nan 8.190 nan 0.000 0.426 393 I N 0.330 120.592 120.570 -0.512 0.000 2.934 393 I HA 0.766 4.937 4.170 0.001 0.000 0.306 393 I C -1.615 174.338 176.117 -0.273 0.000 1.110 393 I CA -0.763 60.323 61.300 -0.357 0.000 1.019 393 I CB 2.539 40.235 38.000 -0.507 0.000 1.227 393 I HN 0.392 nan 8.210 nan 0.000 0.434 394 F N 1.827 121.974 119.950 0.329 0.000 2.532 394 F HA 0.678 5.205 4.527 0.001 0.000 0.321 394 F C 0.200 176.221 175.800 0.368 0.000 1.089 394 F CA -0.586 57.619 58.000 0.342 0.000 0.926 394 F CB 2.358 41.437 39.000 0.131 0.000 1.168 394 F HN 0.647 nan 8.300 nan 0.000 0.459 395 S N 0.757 116.563 115.700 0.177 0.000 2.526 395 S HA 0.882 5.353 4.470 0.001 0.000 0.293 395 S C -1.088 173.395 174.600 -0.195 0.000 1.092 395 S CA -0.659 57.362 58.200 -0.299 0.000 0.980 395 S CB 1.797 64.357 63.200 -1.067 0.000 1.048 395 S HN 0.474 nan 8.310 nan 0.000 0.483 396 S N 0.939 116.554 115.700 -0.142 0.000 2.536 396 S HA 0.976 5.447 4.470 0.001 0.000 0.287 396 S C -0.572 173.965 174.600 -0.105 0.000 1.101 396 S CA -0.677 57.469 58.200 -0.089 0.000 0.950 396 S CB 1.564 64.769 63.200 0.008 0.000 1.056 396 S HN 1.447 nan 8.310 nan 0.000 0.481 397 A N 1.446 124.215 122.820 -0.084 0.000 2.602 397 A HA 0.788 5.108 4.320 0.001 0.000 0.290 397 A C -1.500 176.187 177.584 0.172 0.000 1.114 397 A CA -0.763 51.286 52.037 0.020 0.000 0.683 397 A CB 1.357 20.376 19.000 0.032 0.000 1.281 397 A HN 0.757 nan 8.150 nan 0.000 0.416 398 E N 0.474 120.804 120.200 0.217 0.000 2.166 398 E HA 0.563 4.913 4.350 0.001 0.000 0.275 398 E C -1.496 175.263 176.600 0.266 0.000 0.941 398 E CA -0.516 56.019 56.400 0.224 0.000 0.784 398 E CB 1.323 31.044 29.700 0.035 0.000 1.115 398 E HN 0.618 nan 8.360 nan 0.000 0.399 399 L N 4.375 125.807 121.223 0.348 0.000 2.257 399 L HA 0.373 4.713 4.340 0.001 0.000 0.290 399 L C -0.893 175.971 176.870 -0.011 0.000 1.044 399 L CA -0.213 54.653 54.840 0.043 0.000 0.810 399 L CB 0.859 42.913 42.059 -0.009 0.000 1.193 399 L HN 0.614 nan 8.230 nan 0.000 0.425 400 S N 3.956 119.547 115.700 -0.181 0.000 2.482 400 S HA 0.736 5.207 4.470 0.001 0.000 0.303 400 S C -0.634 173.929 174.600 -0.062 0.000 1.091 400 S CA -0.814 57.313 58.200 -0.121 0.000 1.057 400 S CB 2.026 65.103 63.200 -0.206 0.000 1.031 400 S HN 0.312 nan 8.310 nan 0.000 0.485 401 V N 3.240 123.160 119.914 0.010 0.000 2.630 401 V HA 0.600 4.720 4.120 0.001 0.000 0.305 401 V C -0.135 175.984 176.094 0.040 0.000 1.046 401 V CA -0.718 61.591 62.300 0.015 0.000 0.934 401 V CB 1.299 33.134 31.823 0.019 0.000 1.003 401 V HN 0.947 nan 8.190 nan 0.000 0.451 402 I N 0.000 120.588 120.570 0.030 0.000 2.984 402 I HA 0.000 4.171 4.170 0.001 0.000 0.288 402 I CA 0.000 61.320 61.300 0.033 0.000 1.566 402 I CB 0.000 38.019 38.000 0.031 0.000 1.214 402 I HN 0.000 nan 8.210 nan 0.000 0.494