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 1do8_1_D DATA FIRST_RESID 3021 DATA SEQUENCE IKEKGKPLXL NPRTNKGXAF TLQERQXLGL QGLLPPKIET QDIQALRFHR DATA SEQUENCE NLKKXTSPLE KYIYIXGIQE RNEKLFYRIL QDDIESLXPI VYTPTVGLAC DATA SEQUENCE SQYGHIFRRP KGLFISISDR GHVRSIVDNW PENHVKAVVV TDGERILGLG DATA SEQUENCE DLGVYGXGIP VGKLCLYTAC AGIRPDRCLP VCIDVGTDNI ALLKDPFYXG DATA SEQUENCE LYQKRDRTQQ YDDLIDEFXK AITDRYGRNT LIQFEDFGNH NAFRFLRKYR DATA SEQUENCE EKYCTFNDDI QGTAAVALAG LLAAQKVISK PISEHKILFL GAGEAALGIA DATA SEQUENCE NLIVXSXVEN GLSEQEAQKK IWXFDKYGLL VKGRKAKIDS YQEPFTHSAP DATA SEQUENCE ESIPDTFEDA VNILKPSTII GVAGAGRLFT PDVIRAXASI NERPVIFALS DATA SEQUENCE NPTAQAECTA EEAYTLTEGR CLFASGSPFG PVKLTDGRVF TPGQGNNVYI DATA SEQUENCE FPGVALAVIL CNTRHISDSV FLEAAKALTS QLTDEELAQG RLYPPLANIQ DATA SEQUENCE EVSINIAIKV TEYLYANKXA FRYPEPEDKA KYVKERTWRS EYDSLLPDVY DATA SEQUENCE EWP 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 3021 I HA 0.000 nan 4.170 nan 0.000 0.288 3021 I C 0.000 176.134 176.117 0.028 0.000 1.063 3021 I CA 0.000 61.325 61.300 0.042 0.000 1.566 3021 I CB 0.000 38.032 38.000 0.053 0.000 1.214 3022 K N 1.959 122.373 120.400 0.022 0.000 2.444 3022 K HA 0.146 4.452 4.320 -0.023 0.000 0.193 3022 K C 0.430 177.032 176.600 0.004 0.000 1.024 3022 K CA 0.382 56.676 56.287 0.012 0.000 1.077 3022 K CB 0.382 32.889 32.500 0.011 0.000 0.833 3022 K HN 0.509 nan 8.250 nan 0.000 0.517 3023 E N 1.171 121.375 120.200 0.006 0.000 2.212 3023 E HA 0.292 4.628 4.350 -0.023 0.000 0.270 3023 E C -1.024 175.568 176.600 -0.013 0.000 0.956 3023 E CA -0.485 55.913 56.400 -0.004 0.000 0.825 3023 E CB 0.985 30.685 29.700 -0.000 0.000 1.167 3023 E HN 0.070 nan 8.360 nan 0.000 0.400 3024 K N 0.991 121.373 120.400 -0.029 0.000 2.536 3024 K HA 0.826 5.132 4.320 -0.023 0.000 0.269 3024 K C -0.038 176.524 176.600 -0.064 0.000 0.965 3024 K CA -0.709 55.547 56.287 -0.052 0.000 0.860 3024 K CB 1.575 34.045 32.500 -0.050 0.000 1.423 3024 K HN 0.719 nan 8.250 nan 0.000 0.438 3025 G N 1.435 110.177 108.800 -0.096 0.000 2.615 3025 G HA2 -0.291 3.655 3.960 -0.023 0.000 0.218 3025 G HA3 -0.291 3.655 3.960 -0.023 0.000 0.218 3025 G C 0.347 175.189 174.900 -0.096 0.000 1.339 3025 G CA 0.299 45.343 45.100 -0.094 0.000 0.884 3025 G HN 0.755 nan 8.290 nan 0.000 0.559 3026 K N 1.004 121.360 120.400 -0.074 0.000 2.089 3026 K HA -0.064 4.242 4.320 -0.023 0.000 0.210 3026 K C 0.169 176.745 176.600 -0.039 0.000 1.048 3026 K CA 2.842 59.094 56.287 -0.058 0.000 0.926 3026 K CB -1.164 31.312 32.500 -0.041 0.000 0.714 3026 K HN 0.329 nan 8.250 nan 0.000 0.448 3027 P HA -0.188 nan 4.420 nan 0.000 0.217 3027 P C 0.200 177.499 177.300 -0.002 0.000 1.151 3027 P CA 1.076 64.165 63.100 -0.019 0.000 0.849 3027 P CB -0.030 31.657 31.700 -0.021 0.000 0.787 3031 N N 3.210 121.916 118.700 0.010 0.000 2.408 3031 N HA 0.195 4.921 4.740 -0.023 0.000 0.257 3031 N C -1.762 173.757 175.510 0.016 0.000 1.064 3031 N CA -1.716 51.334 53.050 -0.000 0.000 0.952 3031 N CB 1.708 40.197 38.487 0.005 0.000 1.093 3031 N HN -0.036 nan 8.380 nan 0.000 0.490 3032 P HA -0.109 nan 4.420 nan 0.000 0.222 3032 P C 1.080 178.403 177.300 0.039 0.000 1.147 3032 P CA 0.759 63.858 63.100 -0.003 0.000 0.790 3032 P CB 0.544 32.211 31.700 -0.055 0.000 0.780 3033 R N 0.549 121.073 120.500 0.040 0.000 2.120 3033 R HA -0.080 4.246 4.340 -0.023 0.000 0.234 3033 R C 2.147 178.514 176.300 0.112 0.000 1.123 3033 R CA 2.324 58.473 56.100 0.082 0.000 0.975 3033 R CB -1.175 29.157 30.300 0.054 0.000 0.866 3033 R HN 0.309 nan 8.270 nan 0.000 0.446 3034 T N -3.648 110.961 114.554 0.093 0.000 3.000 3034 T HA 0.131 4.467 4.350 -0.023 0.000 0.248 3034 T C 0.629 175.378 174.700 0.080 0.000 1.034 3034 T CA -0.263 61.902 62.100 0.108 0.000 1.060 3034 T CB -0.335 68.614 68.868 0.135 0.000 0.983 3034 T HN 0.050 nan 8.240 nan 0.000 0.482 3035 N N 1.836 120.590 118.700 0.090 0.000 2.359 3035 N HA 0.079 4.805 4.740 -0.023 0.000 0.261 3035 N C 0.451 175.836 175.510 -0.209 0.000 1.267 3035 N CA 0.389 53.476 53.050 0.061 0.000 0.864 3035 N CB 0.649 39.186 38.487 0.083 0.000 1.063 3035 N HN 0.336 nan 8.380 nan 0.000 0.474 3036 K N 1.873 121.856 120.400 -0.695 0.000 2.402 3036 K HA 0.274 4.580 4.320 -0.023 0.000 0.203 3036 K C 0.600 176.909 176.600 -0.485 0.000 1.077 3036 K CA 0.204 55.922 56.287 -0.950 0.000 1.051 3036 K CB 0.413 31.810 32.500 -1.838 0.000 0.907 3036 K HN 0.807 nan 8.250 nan 0.000 0.554 3040 F N 3.160 122.999 119.950 -0.186 0.000 2.538 3040 F HA 0.318 4.831 4.527 -0.023 0.000 0.371 3040 F C 1.758 177.505 175.800 -0.089 0.000 1.087 3040 F CA 1.305 59.215 58.000 -0.150 0.000 1.250 3040 F CB 0.929 39.862 39.000 -0.112 0.000 1.110 3040 F HN 0.304 nan 8.300 nan 0.000 0.570 3041 T N 1.810 116.443 114.554 0.131 0.000 2.802 3041 T HA 0.038 4.374 4.350 -0.023 0.000 0.305 3041 T C 0.983 175.718 174.700 0.059 0.000 1.053 3041 T CA -0.869 61.273 62.100 0.069 0.000 1.058 3041 T CB 0.909 69.805 68.868 0.048 0.000 0.988 3041 T HN 0.609 nan 8.240 nan 0.000 0.539 3042 L N 0.483 121.725 121.223 0.032 0.000 2.141 3042 L HA -0.007 4.319 4.340 -0.023 0.000 0.209 3042 L C 2.750 179.622 176.870 0.004 0.000 1.094 3042 L CA 1.614 56.463 54.840 0.014 0.000 0.763 3042 L CB -0.916 41.148 42.059 0.009 0.000 0.908 3042 L HN 0.819 nan 8.230 nan 0.000 0.437 3043 Q N -0.692 119.115 119.800 0.010 0.000 2.172 3043 Q HA -0.182 4.144 4.340 -0.023 0.000 0.200 3043 Q C 2.074 178.075 176.000 0.001 0.000 0.964 3043 Q CA 1.516 57.321 55.803 0.004 0.000 0.855 3043 Q CB 0.082 28.826 28.738 0.010 0.000 0.918 3043 Q HN 0.658 nan 8.270 nan 0.000 0.444 3044 E N 0.049 120.261 120.200 0.020 0.000 2.072 3044 E HA -0.152 4.184 4.350 -0.023 0.000 0.191 3044 E C 2.052 178.618 176.600 -0.056 0.000 0.985 3044 E CA 0.618 57.032 56.400 0.023 0.000 0.801 3044 E CB 0.147 29.922 29.700 0.125 0.000 0.750 3044 E HN 0.210 nan 8.360 nan 0.000 0.452 3045 R N 0.776 121.237 120.500 -0.064 0.000 2.070 3045 R HA -0.081 4.245 4.340 -0.023 0.000 0.233 3045 R C 1.317 177.556 176.300 -0.101 0.000 1.137 3045 R CA 0.934 56.956 56.100 -0.129 0.000 0.945 3045 R CB -0.196 30.055 30.300 -0.082 0.000 0.845 3045 R HN 0.203 nan 8.270 nan 0.000 0.430 3049 G N 1.351 110.085 108.800 -0.110 0.000 2.212 3049 G HA2 -0.254 3.692 3.960 -0.023 0.000 0.255 3049 G HA3 -0.254 3.692 3.960 -0.023 0.000 0.255 3049 G C 0.270 175.091 174.900 -0.132 0.000 1.062 3049 G CA 0.555 45.593 45.100 -0.103 0.000 0.815 3049 G HN 0.306 nan 8.290 nan 0.000 0.497 3050 L N -1.157 119.965 121.223 -0.169 0.000 2.858 3050 L HA 0.305 4.631 4.340 -0.023 0.000 0.251 3050 L C 1.247 178.034 176.870 -0.138 0.000 1.149 3050 L CA -0.323 54.397 54.840 -0.200 0.000 0.955 3050 L CB 0.371 42.207 42.059 -0.372 0.000 1.289 3050 L HN 0.278 nan 8.230 nan 0.000 0.542 3051 Q N 1.323 121.062 119.800 -0.102 0.000 2.255 3051 Q HA 0.320 4.646 4.340 -0.023 0.000 0.280 3051 Q C 1.087 177.055 176.000 -0.055 0.000 1.068 3051 Q CA 1.439 57.202 55.803 -0.067 0.000 0.911 3051 Q CB 0.654 29.360 28.738 -0.053 0.000 1.157 3051 Q HN 0.372 nan 8.270 nan 0.000 0.380 3052 G N 3.143 111.917 108.800 -0.042 0.000 2.308 3052 G HA2 -0.256 3.690 3.960 -0.023 0.000 0.221 3052 G HA3 -0.256 3.690 3.960 -0.023 0.000 0.221 3052 G C 0.518 175.398 174.900 -0.033 0.000 1.032 3052 G CA 0.192 45.272 45.100 -0.033 0.000 0.623 3052 G HN 0.569 nan 8.290 nan 0.000 0.506 3053 L N 0.492 121.688 121.223 -0.046 0.000 2.554 3053 L HA 0.463 4.789 4.340 -0.023 0.000 0.226 3053 L C 0.869 177.723 176.870 -0.027 0.000 1.137 3053 L CA 0.474 55.288 54.840 -0.042 0.000 0.863 3053 L CB -0.083 41.937 42.059 -0.064 0.000 0.985 3053 L HN 0.211 nan 8.230 nan 0.000 0.451 3054 L N -1.138 120.072 121.223 -0.021 0.000 2.350 3054 L HA 0.503 4.829 4.340 -0.023 0.000 0.260 3054 L C -2.285 174.590 176.870 0.008 0.000 1.015 3054 L CA -1.915 52.929 54.840 0.005 0.000 0.821 3054 L CB 1.577 43.650 42.059 0.024 0.000 1.370 3054 L HN -0.248 nan 8.230 nan 0.000 0.416 3055 P HA 0.159 nan 4.420 nan 0.000 0.269 3055 P C -2.143 175.166 177.300 0.015 0.000 1.215 3055 P CA -0.990 62.119 63.100 0.014 0.000 0.780 3055 P CB 0.025 31.737 31.700 0.019 0.000 0.898 3056 P HA -0.159 nan 4.420 nan 0.000 0.220 3056 P C 0.209 177.518 177.300 0.015 0.000 1.144 3056 P CA 1.338 64.444 63.100 0.010 0.000 0.800 3056 P CB 0.051 31.755 31.700 0.006 0.000 0.772 3057 K N 0.815 121.227 120.400 0.019 0.000 2.350 3057 K HA 0.146 4.452 4.320 -0.023 0.000 0.279 3057 K C -0.291 176.326 176.600 0.029 0.000 1.027 3057 K CA 0.180 56.480 56.287 0.023 0.000 0.969 3057 K CB 0.018 32.532 32.500 0.024 0.000 0.954 3057 K HN -0.137 nan 8.250 nan 0.000 0.474 3058 I N 4.166 124.753 120.570 0.028 0.000 2.339 3058 I HA 0.265 4.421 4.170 -0.023 0.000 0.290 3058 I C 0.073 176.210 176.117 0.032 0.000 0.994 3058 I CA -0.438 60.881 61.300 0.032 0.000 1.191 3058 I CB 1.317 39.334 38.000 0.028 0.000 1.343 3058 I HN 0.774 nan 8.210 nan 0.000 0.458 3059 E N 3.500 123.721 120.200 0.035 0.000 2.249 3059 E HA 0.528 4.864 4.350 -0.023 0.000 0.263 3059 E C -0.292 176.342 176.600 0.057 0.000 0.950 3059 E CA -0.656 55.771 56.400 0.045 0.000 0.827 3059 E CB 2.309 32.039 29.700 0.051 0.000 1.220 3059 E HN 0.644 nan 8.360 nan 0.000 0.411 3060 T N -2.057 112.538 114.554 0.069 0.000 2.945 3060 T HA 0.131 4.467 4.350 -0.023 0.000 0.286 3060 T C 0.895 175.663 174.700 0.113 0.000 1.025 3060 T CA -0.721 61.432 62.100 0.089 0.000 1.039 3060 T CB 1.774 70.677 68.868 0.058 0.000 1.068 3060 T HN 0.514 nan 8.240 nan 0.000 0.497 3061 Q N 0.114 119.994 119.800 0.133 0.000 2.135 3061 Q HA -0.207 4.119 4.340 -0.023 0.000 0.204 3061 Q C 1.154 177.164 176.000 0.017 0.000 0.981 3061 Q CA 2.017 57.850 55.803 0.050 0.000 0.856 3061 Q CB -0.255 28.374 28.738 -0.182 0.000 0.902 3061 Q HN 0.770 nan 8.270 nan 0.000 0.425 3062 D N 0.139 120.552 120.400 0.021 0.000 2.158 3062 D HA -0.183 4.443 4.640 -0.023 0.000 0.197 3062 D C 1.660 177.993 176.300 0.054 0.000 0.995 3062 D CA 1.306 55.325 54.000 0.031 0.000 0.846 3062 D CB -0.110 40.706 40.800 0.028 0.000 0.941 3062 D HN 0.407 nan 8.370 nan 0.000 0.456 3063 I N 0.071 120.675 120.570 0.058 0.000 2.406 3063 I HA -0.180 3.976 4.170 -0.023 0.000 0.249 3063 I C 2.256 178.417 176.117 0.074 0.000 1.122 3063 I CA 0.673 62.012 61.300 0.064 0.000 1.431 3063 I CB -0.285 37.749 38.000 0.057 0.000 1.087 3063 I HN -0.064 nan 8.210 nan 0.000 0.424 3064 Q N 1.124 120.967 119.800 0.072 0.000 2.124 3064 Q HA -0.159 4.167 4.340 -0.023 0.000 0.202 3064 Q C 2.523 178.564 176.000 0.067 0.000 0.977 3064 Q CA 1.725 57.572 55.803 0.073 0.000 0.850 3064 Q CB -0.281 28.503 28.738 0.078 0.000 0.901 3064 Q HN 0.591 nan 8.270 nan 0.000 0.429 3065 A N 0.886 123.736 122.820 0.049 0.000 1.930 3065 A HA -0.142 4.164 4.320 -0.023 0.000 0.217 3065 A C 1.993 179.662 177.584 0.142 0.000 1.175 3065 A CA 0.809 52.873 52.037 0.045 0.000 0.627 3065 A CB -0.586 18.457 19.000 0.073 0.000 0.815 3065 A HN 0.358 nan 8.150 nan 0.000 0.443 3066 L N -0.760 120.559 121.223 0.159 0.000 2.093 3066 L HA -0.159 4.167 4.340 -0.023 0.000 0.208 3066 L C 2.768 179.723 176.870 0.142 0.000 1.085 3066 L CA 1.851 56.797 54.840 0.177 0.000 0.755 3066 L CB -0.391 41.739 42.059 0.117 0.000 0.904 3066 L HN 0.568 nan 8.230 nan 0.000 0.435 3067 R N -0.619 119.954 120.500 0.120 0.000 2.075 3067 R HA -0.245 4.081 4.340 -0.023 0.000 0.232 3067 R C 2.364 178.745 176.300 0.134 0.000 1.126 3067 R CA 1.733 57.899 56.100 0.110 0.000 0.963 3067 R CB -0.492 29.873 30.300 0.109 0.000 0.858 3067 R HN 0.282 nan 8.270 nan 0.000 0.435 3068 F N 1.029 120.975 119.950 -0.007 0.000 2.075 3068 F HA -0.192 4.321 4.527 -0.023 0.000 0.297 3068 F C 1.784 177.584 175.800 -0.000 0.000 1.113 3068 F CA 2.194 60.181 58.000 -0.021 0.000 1.218 3068 F CB -0.525 38.318 39.000 -0.262 0.000 0.984 3068 F HN 0.134 nan 8.300 nan 0.000 0.472 3069 H N -0.882 118.163 119.070 -0.042 0.000 2.421 3069 H HA -0.085 4.456 4.556 -0.024 0.000 0.298 3069 H C 2.218 177.454 175.328 -0.154 0.000 1.087 3069 H CA 1.363 57.305 56.048 -0.176 0.000 1.330 3069 H CB -0.112 29.685 29.762 0.058 0.000 1.388 3069 H HN 0.084 nan 8.280 nan 0.000 0.526 3070 R N 0.501 121.020 120.500 0.031 0.000 2.075 3070 R HA -0.072 4.254 4.340 -0.023 0.000 0.232 3070 R C 1.935 178.198 176.300 -0.062 0.000 1.126 3070 R CA 1.121 57.222 56.100 0.002 0.000 0.963 3070 R CB -0.138 30.177 30.300 0.024 0.000 0.858 3070 R HN 0.325 nan 8.270 nan 0.000 0.435 3071 N N 0.038 118.680 118.700 -0.097 0.000 2.106 3071 N HA -0.131 4.595 4.740 -0.023 0.000 0.188 3071 N C 1.568 176.942 175.510 -0.227 0.000 1.029 3071 N CA 0.890 53.842 53.050 -0.164 0.000 0.848 3071 N CB -0.349 38.037 38.487 -0.169 0.000 1.007 3071 N HN 0.091 nan 8.380 nan 0.000 0.423 3072 L N 1.462 122.520 121.223 -0.276 0.000 2.127 3072 L HA -0.125 4.201 4.340 -0.023 0.000 0.211 3072 L C 2.009 178.803 176.870 -0.127 0.000 1.089 3072 L CA 1.603 56.301 54.840 -0.236 0.000 0.757 3072 L CB -0.303 41.464 42.059 -0.487 0.000 0.899 3072 L HN -0.032 nan 8.230 nan 0.000 0.434 3073 K N 0.097 120.435 120.400 -0.103 0.000 2.209 3073 K HA -0.096 4.210 4.320 -0.023 0.000 0.204 3073 K C 0.857 177.430 176.600 -0.046 0.000 1.048 3073 K CA 1.099 57.357 56.287 -0.048 0.000 0.940 3073 K CB -0.027 32.457 32.500 -0.026 0.000 0.729 3073 K HN 0.269 nan 8.250 nan 0.000 0.451 3077 S N 2.987 118.703 115.700 0.027 0.000 2.616 3077 S HA 0.597 5.053 4.470 -0.023 0.000 0.277 3077 S C -2.024 172.613 174.600 0.062 0.000 1.234 3077 S CA -1.049 57.175 58.200 0.040 0.000 1.028 3077 S CB 1.538 64.759 63.200 0.035 0.000 0.988 3077 S HN 0.141 nan 8.310 nan 0.000 0.522 3078 P HA -0.016 nan 4.420 nan 0.000 0.216 3078 P C 1.553 178.933 177.300 0.133 0.000 1.153 3078 P CA 0.342 63.501 63.100 0.098 0.000 0.844 3078 P CB -0.010 31.734 31.700 0.073 0.000 0.787 3079 L N 0.069 121.346 121.223 0.090 0.000 2.201 3079 L HA -0.097 4.229 4.340 -0.023 0.000 0.212 3079 L C 2.236 179.210 176.870 0.172 0.000 1.105 3079 L CA 1.772 56.673 54.840 0.101 0.000 0.775 3079 L CB -1.011 41.062 42.059 0.024 0.000 0.913 3079 L HN -0.064 nan 8.230 nan 0.000 0.440 3080 E N -0.598 119.678 120.200 0.126 0.000 2.072 3080 E HA -0.223 4.113 4.350 -0.023 0.000 0.191 3080 E C 2.007 178.711 176.600 0.172 0.000 0.985 3080 E CA 0.993 57.462 56.400 0.116 0.000 0.801 3080 E CB 0.073 29.808 29.700 0.058 0.000 0.750 3080 E HN 0.520 nan 8.360 nan 0.000 0.452 3081 K N -0.216 120.297 120.400 0.189 0.000 2.057 3081 K HA -0.184 4.122 4.320 -0.023 0.000 0.206 3081 K C 2.192 178.963 176.600 0.284 0.000 1.050 3081 K CA 1.378 57.813 56.287 0.248 0.000 0.935 3081 K CB -0.422 32.198 32.500 0.200 0.000 0.715 3081 K HN 0.240 nan 8.250 nan 0.000 0.439 3082 Y N 1.898 122.282 120.300 0.140 0.000 2.165 3082 Y HA -0.225 4.311 4.550 -0.024 0.000 0.286 3082 Y C 1.900 177.869 175.900 0.115 0.000 1.155 3082 Y CA 1.405 59.580 58.100 0.124 0.000 1.164 3082 Y CB -0.151 38.368 38.460 0.097 0.000 0.978 3082 Y HN -0.054 nan 8.280 nan 0.000 0.513 3083 I N -0.914 119.821 120.570 0.275 0.000 2.252 3083 I HA -0.293 3.863 4.170 -0.023 0.000 0.245 3083 I C 2.158 178.334 176.117 0.098 0.000 1.102 3083 I CA 1.366 62.755 61.300 0.147 0.000 1.385 3083 I CB -0.566 37.534 38.000 0.168 0.000 1.064 3083 I HN 0.316 nan 8.210 nan 0.000 0.414 3084 Y N 2.350 122.664 120.300 0.023 0.000 2.089 3084 Y HA -0.129 4.407 4.550 -0.023 0.000 0.282 3084 Y C 1.499 177.430 175.900 0.052 0.000 1.139 3084 Y CA 0.658 58.781 58.100 0.038 0.000 1.123 3084 Y CB -0.612 37.890 38.460 0.071 0.000 0.980 3084 Y HN 0.136 nan 8.280 nan 0.000 0.493 3088 I N 1.288 121.677 120.570 -0.303 0.000 2.286 3088 I HA -0.195 3.961 4.170 -0.023 0.000 0.248 3088 I C 2.611 178.477 176.117 -0.419 0.000 1.115 3088 I CA 1.678 62.815 61.300 -0.271 0.000 1.392 3088 I CB -0.147 37.730 38.000 -0.206 0.000 1.065 3088 I HN 0.266 nan 8.210 nan 0.000 0.418 3089 Q N 0.970 120.233 119.800 -0.894 0.000 2.297 3089 Q HA -0.205 4.121 4.340 -0.023 0.000 0.208 3089 Q C 1.424 177.109 176.000 -0.524 0.000 0.981 3089 Q CA 1.236 56.338 55.803 -1.167 0.000 0.876 3089 Q CB 0.224 27.874 28.738 -1.814 0.000 0.921 3089 Q HN 0.464 nan 8.270 nan 0.000 0.446 3090 E N -0.624 119.348 120.200 -0.380 0.000 2.474 3090 E HA 0.042 4.378 4.350 -0.023 0.000 0.195 3090 E C 1.176 177.684 176.600 -0.153 0.000 1.039 3090 E CA 0.152 56.414 56.400 -0.230 0.000 0.881 3090 E CB 0.461 30.035 29.700 -0.210 0.000 0.970 3090 E HN 0.390 nan 8.360 nan 0.000 0.486 3091 R N 0.095 120.507 120.500 -0.146 0.000 2.144 3091 R HA 0.158 4.484 4.340 -0.023 0.000 0.195 3091 R C 0.655 176.931 176.300 -0.040 0.000 1.077 3091 R CA 0.101 56.155 56.100 -0.076 0.000 1.120 3091 R CB 0.341 30.605 30.300 -0.059 0.000 1.060 3091 R HN -0.127 nan 8.270 nan 0.000 0.520 3092 N N 1.302 119.975 118.700 -0.045 0.000 2.640 3092 N HA 0.019 4.745 4.740 -0.023 0.000 0.262 3092 N C -0.112 175.430 175.510 0.053 0.000 1.174 3092 N CA -0.006 53.058 53.050 0.024 0.000 0.791 3092 N CB 1.428 39.946 38.487 0.051 0.000 1.279 3092 N HN 0.117 nan 8.380 nan 0.000 0.535 3093 E N 2.215 122.463 120.200 0.081 0.000 2.086 3093 E HA -0.237 4.099 4.350 -0.023 0.000 0.200 3093 E C 0.862 177.671 176.600 0.348 0.000 1.012 3093 E CA 1.361 57.865 56.400 0.175 0.000 0.812 3093 E CB 0.332 30.159 29.700 0.213 0.000 0.743 3093 E HN 0.396 nan 8.360 nan 0.000 0.453 3094 K N 0.355 120.961 120.400 0.345 0.000 2.032 3094 K HA -0.190 4.116 4.320 -0.023 0.000 0.209 3094 K C 2.275 178.935 176.600 0.099 0.000 1.048 3094 K CA 0.871 57.339 56.287 0.301 0.000 0.927 3094 K CB -0.695 31.887 32.500 0.136 0.000 0.712 3094 K HN 0.222 nan 8.250 nan 0.000 0.441 3095 L N 1.035 122.274 121.223 0.027 0.000 2.127 3095 L HA -0.140 4.186 4.340 -0.023 0.000 0.211 3095 L C 2.144 178.946 176.870 -0.114 0.000 1.089 3095 L CA 1.329 56.120 54.840 -0.081 0.000 0.757 3095 L CB -0.686 41.352 42.059 -0.036 0.000 0.899 3095 L HN 0.046 nan 8.230 nan 0.000 0.434 3096 F N -0.165 119.636 119.950 -0.248 0.000 2.046 3096 F HA -0.295 4.218 4.527 -0.023 0.000 0.297 3096 F C 2.153 177.689 175.800 -0.439 0.000 1.123 3096 F CA 2.008 59.750 58.000 -0.431 0.000 1.199 3096 F CB -0.990 37.699 39.000 -0.518 0.000 0.972 3096 F HN 0.165 nan 8.300 nan 0.000 0.474 3097 Y N -0.295 119.902 120.300 -0.173 0.000 2.352 3097 Y HA -0.163 4.374 4.550 -0.023 0.000 0.292 3097 Y C 2.546 178.333 175.900 -0.188 0.000 1.136 3097 Y CA 1.173 59.136 58.100 -0.228 0.000 1.227 3097 Y CB -0.466 38.062 38.460 0.113 0.000 0.991 3097 Y HN 0.042 nan 8.280 nan 0.000 0.545 3098 R N 0.652 121.120 120.500 -0.054 0.000 2.075 3098 R HA -0.124 4.202 4.340 -0.023 0.000 0.232 3098 R C 1.768 177.967 176.300 -0.168 0.000 1.126 3098 R CA 1.446 57.479 56.100 -0.112 0.000 0.963 3098 R CB -0.893 29.308 30.300 -0.166 0.000 0.858 3098 R HN 0.192 nan 8.270 nan 0.000 0.435 3099 I N 0.326 120.703 120.570 -0.322 0.000 2.226 3099 I HA -0.172 3.984 4.170 -0.023 0.000 0.245 3099 I C 1.700 177.634 176.117 -0.305 0.000 1.100 3099 I CA 0.975 61.990 61.300 -0.476 0.000 1.374 3099 I CB -0.717 36.689 38.000 -0.989 0.000 1.057 3099 I HN 0.177 nan 8.210 nan 0.000 0.413 3100 L N -0.085 120.921 121.223 -0.363 0.000 2.005 3100 L HA -0.206 4.119 4.340 -0.023 0.000 0.207 3100 L C 2.558 179.360 176.870 -0.113 0.000 1.072 3100 L CA 1.664 56.350 54.840 -0.257 0.000 0.744 3100 L CB -1.437 40.416 42.059 -0.344 0.000 0.895 3100 L HN 0.368 nan 8.230 nan 0.000 0.433 3101 Q N -0.394 119.355 119.800 -0.085 0.000 2.152 3101 Q HA -0.278 4.048 4.340 -0.023 0.000 0.206 3101 Q C 1.600 177.586 176.000 -0.024 0.000 0.985 3101 Q CA 2.030 57.808 55.803 -0.041 0.000 0.863 3101 Q CB -0.070 28.651 28.738 -0.028 0.000 0.904 3101 Q HN 0.446 nan 8.270 nan 0.000 0.422 3102 D N 0.467 120.866 120.400 -0.001 0.000 2.228 3102 D HA -0.114 4.512 4.640 -0.023 0.000 0.203 3102 D C -0.049 176.264 176.300 0.021 0.000 0.988 3102 D CA 1.293 55.317 54.000 0.040 0.000 0.864 3102 D CB 0.077 40.981 40.800 0.173 0.000 0.928 3102 D HN 0.242 nan 8.370 nan 0.000 0.469 3103 D N -1.292 119.124 120.400 0.027 0.000 2.914 3103 D HA -0.029 4.597 4.640 -0.023 0.000 0.236 3103 D C 0.555 176.863 176.300 0.013 0.000 1.405 3103 D CA -0.331 53.680 54.000 0.017 0.000 0.900 3103 D CB -0.465 40.351 40.800 0.027 0.000 1.518 3103 D HN -0.098 nan 8.370 nan 0.000 0.548 3104 I N 1.994 122.553 120.570 -0.018 0.000 2.361 3104 I HA -0.108 4.048 4.170 -0.023 0.000 0.251 3104 I C 1.976 178.078 176.117 -0.024 0.000 1.133 3104 I CA 1.658 62.933 61.300 -0.040 0.000 1.413 3104 I CB 0.168 38.125 38.000 -0.072 0.000 1.073 3104 I HN 0.450 nan 8.210 nan 0.000 0.424 3105 E N -0.215 119.979 120.200 -0.010 0.000 2.072 3105 E HA -0.233 4.103 4.350 -0.023 0.000 0.191 3105 E C 2.273 178.893 176.600 0.033 0.000 0.985 3105 E CA 1.512 57.917 56.400 0.008 0.000 0.801 3105 E CB -0.228 29.483 29.700 0.017 0.000 0.750 3105 E HN 0.586 nan 8.360 nan 0.000 0.452 3106 S N -0.224 115.501 115.700 0.042 0.000 2.453 3106 S HA 0.008 4.464 4.470 -0.023 0.000 0.231 3106 S C 1.016 175.664 174.600 0.080 0.000 1.005 3106 S CA 0.015 58.252 58.200 0.061 0.000 0.949 3106 S CB -0.225 63.013 63.200 0.063 0.000 0.774 3106 S HN 0.153 nan 8.310 nan 0.000 0.510 3110 I N -0.495 120.166 120.570 0.151 0.000 2.494 3110 I HA -0.024 4.132 4.170 -0.023 0.000 0.250 3110 I C 1.936 178.238 176.117 0.309 0.000 1.112 3110 I CA 0.755 62.176 61.300 0.202 0.000 1.438 3110 I CB -0.041 38.079 38.000 0.200 0.000 1.111 3110 I HN -0.203 nan 8.210 nan 0.000 0.431 3111 V N -0.569 119.503 119.914 0.262 0.000 2.788 3111 V HA -0.111 3.995 4.120 -0.023 0.000 0.251 3111 V C 1.028 177.339 176.094 0.362 0.000 1.068 3111 V CA 1.201 63.674 62.300 0.288 0.000 1.090 3111 V CB -0.201 31.705 31.823 0.138 0.000 0.710 3111 V HN 0.317 nan 8.190 nan 0.000 0.467 3112 Y N -0.144 120.231 120.300 0.125 0.000 3.267 3112 Y HA 0.445 4.981 4.550 -0.023 0.000 0.326 3112 Y C 0.911 176.844 175.900 0.055 0.000 1.464 3112 Y CA -0.876 57.278 58.100 0.091 0.000 0.870 3112 Y CB 0.722 39.219 38.460 0.062 0.000 1.253 3112 Y HN -0.091 nan 8.280 nan 0.000 0.792 3113 T N 3.764 118.157 114.554 -0.269 0.000 2.897 3113 T HA 0.255 4.591 4.350 -0.023 0.000 0.294 3113 T C -1.875 172.759 174.700 -0.109 0.000 1.004 3113 T CA -1.787 60.152 62.100 -0.267 0.000 1.106 3113 T CB 0.884 69.492 68.868 -0.432 0.000 0.949 3113 T HN 0.427 nan 8.240 nan 0.000 0.520 3114 P HA 0.048 nan 4.420 nan 0.000 0.220 3114 P C 1.425 178.675 177.300 -0.085 0.000 1.154 3114 P CA 0.784 63.818 63.100 -0.110 0.000 0.830 3114 P CB -0.115 31.526 31.700 -0.099 0.000 0.803 3115 T N 0.519 115.047 114.554 -0.043 0.000 2.848 3115 T HA -0.131 4.205 4.350 -0.023 0.000 0.269 3115 T C 1.779 176.399 174.700 -0.133 0.000 1.081 3115 T CA 1.152 63.217 62.100 -0.057 0.000 1.125 3115 T CB -1.042 67.836 68.868 0.017 0.000 0.848 3115 T HN -0.060 nan 8.240 nan 0.000 0.503 3116 V N 1.135 121.008 119.914 -0.067 0.000 2.667 3116 V HA 0.026 4.132 4.120 -0.023 0.000 0.252 3116 V C 2.432 178.443 176.094 -0.138 0.000 1.065 3116 V CA 1.993 64.250 62.300 -0.072 0.000 1.083 3116 V CB -0.829 31.034 31.823 0.067 0.000 0.692 3116 V HN 0.562 nan 8.190 nan 0.000 0.468 3117 G N -0.092 108.629 108.800 -0.131 0.000 2.394 3117 G HA2 -0.209 3.737 3.960 -0.023 0.000 0.215 3117 G HA3 -0.209 3.737 3.960 -0.023 0.000 0.215 3117 G C 1.474 176.300 174.900 -0.124 0.000 1.165 3117 G CA 0.958 45.985 45.100 -0.121 0.000 0.784 3117 G HN 0.520 nan 8.290 nan 0.000 0.535 3118 L N 1.517 122.661 121.223 -0.132 0.000 2.079 3118 L HA 0.151 4.477 4.340 -0.023 0.000 0.210 3118 L C 2.841 179.611 176.870 -0.167 0.000 1.081 3118 L CA 2.213 56.978 54.840 -0.125 0.000 0.752 3118 L CB -0.716 41.277 42.059 -0.111 0.000 0.896 3118 L HN 0.204 nan 8.230 nan 0.000 0.433 3119 A N -1.385 121.270 122.820 -0.276 0.000 1.930 3119 A HA -0.175 4.131 4.320 -0.023 0.000 0.217 3119 A C 2.364 179.896 177.584 -0.086 0.000 1.175 3119 A CA 1.552 53.397 52.037 -0.319 0.000 0.627 3119 A CB -1.399 17.087 19.000 -0.857 0.000 0.815 3119 A HN 0.628 nan 8.150 nan 0.000 0.443 3120 C N 0.115 119.334 119.300 -0.134 0.000 2.440 3120 C HA -0.069 4.377 4.460 -0.023 0.000 0.278 3120 C C 3.344 178.271 174.990 -0.105 0.000 1.295 3120 C CA 1.372 60.279 59.018 -0.185 0.000 1.738 3120 C CB -1.092 26.530 27.740 -0.198 0.000 1.987 3120 C HN 0.789 nan 8.230 nan 0.000 0.492 3121 S N -0.150 115.507 115.700 -0.072 0.000 2.423 3121 S HA -0.137 4.319 4.470 -0.023 0.000 0.231 3121 S C 1.517 176.036 174.600 -0.134 0.000 1.014 3121 S CA 1.112 59.302 58.200 -0.017 0.000 0.965 3121 S CB -0.331 62.855 63.200 -0.023 0.000 0.785 3121 S HN 0.610 nan 8.310 nan 0.000 0.495 3122 Q N -0.646 119.031 119.800 -0.205 0.000 2.282 3122 Q HA 0.283 4.609 4.340 -0.023 0.000 0.206 3122 Q C 0.751 176.543 176.000 -0.347 0.000 0.878 3122 Q CA -0.118 55.504 55.803 -0.302 0.000 0.944 3122 Q CB -0.407 28.240 28.738 -0.152 0.000 1.100 3122 Q HN 0.593 nan 8.270 nan 0.000 0.509 3123 Y N 1.422 121.339 120.300 -0.638 0.000 2.062 3123 Y HA -0.290 4.246 4.550 -0.023 0.000 0.273 3123 Y C 2.306 177.936 175.900 -0.449 0.000 1.206 3123 Y CA 2.150 59.913 58.100 -0.562 0.000 1.125 3123 Y CB -0.660 37.431 38.460 -0.614 0.000 0.951 3123 Y HN 0.250 nan 8.280 nan 0.000 0.501 3124 G N -2.649 105.759 108.800 -0.654 0.000 2.509 3124 G HA2 -0.223 3.723 3.960 -0.023 0.000 0.218 3124 G HA3 -0.223 3.723 3.960 -0.023 0.000 0.218 3124 G C 1.196 176.140 174.900 0.073 0.000 1.124 3124 G CA 1.005 46.101 45.100 -0.006 0.000 0.776 3124 G HN 0.435 nan 8.290 nan 0.000 0.547 3125 H N 0.120 119.081 119.070 -0.181 0.000 2.431 3125 H HA 0.114 4.656 4.556 -0.023 0.000 0.295 3125 H C 2.510 177.720 175.328 -0.197 0.000 1.038 3125 H CA 0.671 56.564 56.048 -0.258 0.000 1.360 3125 H CB -0.113 29.575 29.762 -0.123 0.000 1.433 3125 H HN 0.554 nan 8.280 nan 0.000 0.536 3126 I N -2.665 117.902 120.570 -0.005 0.000 3.793 3126 I HA 0.106 4.262 4.170 -0.023 0.000 0.315 3126 I C 0.386 176.464 176.117 -0.064 0.000 1.275 3126 I CA -0.245 61.037 61.300 -0.030 0.000 1.214 3126 I CB -0.323 37.673 38.000 -0.008 0.000 1.018 3126 I HN -0.159 nan 8.210 nan 0.000 0.439 3127 F N 3.208 123.023 119.950 -0.226 0.000 2.635 3127 F HA 0.036 4.549 4.527 -0.024 0.000 0.379 3127 F C 1.165 176.873 175.800 -0.154 0.000 1.094 3127 F CA 0.836 58.697 58.000 -0.232 0.000 1.300 3127 F CB 0.460 39.336 39.000 -0.207 0.000 1.035 3127 F HN 0.044 nan 8.300 nan 0.000 0.581 3128 R N 2.836 122.711 120.500 -1.042 0.000 3.062 3128 R HA 0.314 4.640 4.340 -0.023 0.000 0.161 3128 R C -0.395 175.305 176.300 -1.000 0.000 0.778 3128 R CA -0.484 55.166 56.100 -0.750 0.000 1.168 3128 R CB 0.594 30.663 30.300 -0.384 0.000 1.618 3128 R HN 0.502 nan 8.270 nan 0.000 0.566 3129 R N 1.207 121.087 120.500 -1.033 0.000 2.698 3129 R HA 0.383 4.708 4.340 -0.023 0.000 0.275 3129 R C -2.740 173.318 176.300 -0.403 0.000 1.001 3129 R CA -1.759 53.968 56.100 -0.621 0.000 0.896 3129 R CB 2.416 32.537 30.300 -0.299 0.000 1.218 3129 R HN -0.014 nan 8.270 nan 0.000 0.462 3130 P HA 0.279 nan 4.420 nan 0.000 0.276 3130 P C -1.279 176.160 177.300 0.232 0.000 1.252 3130 P CA -0.456 62.837 63.100 0.322 0.000 0.802 3130 P CB 1.103 33.052 31.700 0.414 0.000 1.035 3131 K N 0.158 120.758 120.400 0.335 0.000 2.501 3131 K HA 0.601 4.907 4.320 -0.023 0.000 0.252 3131 K C -0.195 176.495 176.600 0.150 0.000 0.934 3131 K CA -0.569 55.842 56.287 0.207 0.000 0.797 3131 K CB 2.205 34.784 32.500 0.131 0.000 1.270 3131 K HN 0.944 nan 8.250 nan 0.000 0.431 3132 G N 1.384 110.277 108.800 0.155 0.000 2.796 3132 G HA2 -0.210 3.736 3.960 -0.023 0.000 0.571 3132 G HA3 -0.210 3.736 3.960 -0.023 0.000 0.571 3132 G C -1.200 173.626 174.900 -0.123 0.000 1.370 3132 G CA -0.973 44.064 45.100 -0.105 0.000 0.856 3132 G HN 0.431 nan 8.290 nan 0.000 0.538 3133 L N -0.139 120.854 121.223 -0.384 0.000 2.289 3133 L HA 0.704 5.030 4.340 -0.023 0.000 0.285 3133 L C -0.482 176.158 176.870 -0.383 0.000 1.049 3133 L CA -0.616 54.100 54.840 -0.208 0.000 0.804 3133 L CB 0.992 42.895 42.059 -0.261 0.000 1.195 3133 L HN 0.456 nan 8.230 nan 0.000 0.428 3134 F N 5.039 124.984 119.950 -0.008 0.000 2.402 3134 F HA 0.474 4.987 4.527 -0.023 0.000 0.355 3134 F C 0.131 175.899 175.800 -0.053 0.000 1.123 3134 F CA -0.411 57.560 58.000 -0.047 0.000 1.021 3134 F CB 1.281 40.266 39.000 -0.025 0.000 1.160 3134 F HN 0.191 nan 8.300 nan 0.000 0.451 3135 I N 2.999 123.591 120.570 0.038 0.000 2.406 3135 I HA 0.414 4.570 4.170 -0.023 0.000 0.290 3135 I C -0.161 175.961 176.117 0.008 0.000 0.999 3135 I CA -0.432 60.873 61.300 0.008 0.000 1.124 3135 I CB 1.840 39.794 38.000 -0.077 0.000 1.289 3135 I HN 0.593 nan 8.210 nan 0.000 0.441 3136 S N 5.054 120.776 115.700 0.036 0.000 2.664 3136 S HA 0.437 4.893 4.470 -0.023 0.000 0.304 3136 S C 0.710 175.341 174.600 0.051 0.000 1.099 3136 S CA -0.689 57.532 58.200 0.035 0.000 1.003 3136 S CB 1.821 65.035 63.200 0.024 0.000 1.092 3136 S HN 0.600 nan 8.310 nan 0.000 0.525 3137 I N 2.001 122.610 120.570 0.064 0.000 2.423 3137 I HA -0.080 4.076 4.170 -0.023 0.000 0.254 3137 I C 2.069 178.233 176.117 0.079 0.000 1.151 3137 I CA 1.534 62.886 61.300 0.085 0.000 1.421 3137 I CB -0.676 37.385 38.000 0.101 0.000 1.079 3137 I HN 0.748 nan 8.210 nan 0.000 0.431 3138 S N 0.063 115.801 115.700 0.064 0.000 2.481 3138 S HA -0.068 4.388 4.470 -0.023 0.000 0.231 3138 S C 1.281 175.928 174.600 0.078 0.000 0.996 3138 S CA 0.945 59.181 58.200 0.061 0.000 0.942 3138 S CB -0.331 62.892 63.200 0.038 0.000 0.768 3138 S HN 0.535 nan 8.310 nan 0.000 0.520 3139 D N 1.436 121.889 120.400 0.087 0.000 2.340 3139 D HA 0.023 4.649 4.640 -0.023 0.000 0.217 3139 D C 0.614 177.023 176.300 0.182 0.000 1.081 3139 D CA -0.034 54.041 54.000 0.126 0.000 0.842 3139 D CB 0.086 40.944 40.800 0.097 0.000 0.934 3139 D HN 0.527 nan 8.370 nan 0.000 0.511 3140 R N -0.012 120.571 120.500 0.139 0.000 2.538 3140 R HA 0.229 4.555 4.340 -0.023 0.000 0.282 3140 R C 0.967 177.313 176.300 0.077 0.000 1.009 3140 R CA 0.956 57.118 56.100 0.103 0.000 1.063 3140 R CB 0.140 30.491 30.300 0.085 0.000 0.945 3140 R HN -0.014 nan 8.270 nan 0.000 0.414 3141 G N 2.094 110.880 108.800 -0.023 0.000 2.176 3141 G HA2 -0.237 3.709 3.960 -0.023 0.000 0.232 3141 G HA3 -0.237 3.709 3.960 -0.023 0.000 0.232 3141 G C 0.263 174.870 174.900 -0.488 0.000 0.986 3141 G CA 0.196 45.161 45.100 -0.226 0.000 0.643 3141 G HN 0.811 nan 8.290 nan 0.000 0.522 3142 H N -0.816 118.275 119.070 0.035 0.000 3.007 3142 H HA 0.296 4.838 4.556 -0.023 0.000 0.251 3142 H C 1.969 177.321 175.328 0.039 0.000 1.188 3142 H CA 0.474 56.543 56.048 0.034 0.000 1.017 3142 H CB 0.426 30.208 29.762 0.033 0.000 1.805 3142 H HN 0.232 nan 8.280 nan 0.000 0.659 3143 V N 0.930 120.912 119.914 0.114 0.000 2.332 3143 V HA -0.277 3.829 4.120 -0.023 0.000 0.248 3143 V C 2.774 178.920 176.094 0.086 0.000 1.055 3143 V CA 1.930 64.291 62.300 0.102 0.000 1.038 3143 V CB -0.296 31.583 31.823 0.093 0.000 0.651 3143 V HN 0.188 nan 8.190 nan 0.000 0.450 3144 R N 1.592 122.125 120.500 0.056 0.000 2.091 3144 R HA -0.167 4.159 4.340 -0.023 0.000 0.238 3144 R C 2.619 178.951 176.300 0.054 0.000 1.136 3144 R CA 2.134 58.254 56.100 0.034 0.000 0.959 3144 R CB -1.052 29.253 30.300 0.009 0.000 0.856 3144 R HN 0.696 nan 8.270 nan 0.000 0.437 3145 S N -0.758 114.989 115.700 0.080 0.000 2.402 3145 S HA -0.092 4.364 4.470 -0.023 0.000 0.229 3145 S C 2.126 176.782 174.600 0.093 0.000 1.021 3145 S CA 1.225 59.476 58.200 0.085 0.000 0.974 3145 S CB -0.402 62.862 63.200 0.108 0.000 0.800 3145 S HN 0.370 nan 8.310 nan 0.000 0.484 3146 I N 1.161 121.795 120.570 0.107 0.000 2.286 3146 I HA -0.085 4.071 4.170 -0.023 0.000 0.245 3146 I C 2.366 178.567 176.117 0.140 0.000 1.104 3146 I CA 0.787 62.158 61.300 0.119 0.000 1.397 3146 I CB -0.199 37.871 38.000 0.117 0.000 1.072 3146 I HN 0.199 nan 8.210 nan 0.000 0.417 3147 V N 0.379 120.365 119.914 0.119 0.000 2.407 3147 V HA -0.285 3.821 4.120 -0.023 0.000 0.248 3147 V C 1.696 177.879 176.094 0.149 0.000 1.055 3147 V CA 1.752 64.130 62.300 0.131 0.000 1.049 3147 V CB -0.669 31.197 31.823 0.072 0.000 0.662 3147 V HN 0.396 nan 8.190 nan 0.000 0.455 3148 D N 0.058 120.514 120.400 0.093 0.000 2.371 3148 D HA -0.072 4.554 4.640 -0.023 0.000 0.221 3148 D C 1.762 178.131 176.300 0.115 0.000 0.986 3148 D CA 0.497 54.541 54.000 0.073 0.000 0.899 3148 D CB -0.245 40.576 40.800 0.035 0.000 0.902 3148 D HN 0.373 nan 8.370 nan 0.000 0.530 3149 N N -0.384 118.410 118.700 0.156 0.000 2.446 3149 N HA -0.074 4.652 4.740 -0.023 0.000 0.179 3149 N C 0.267 175.899 175.510 0.203 0.000 1.054 3149 N CA -0.038 53.101 53.050 0.148 0.000 0.905 3149 N CB 0.088 38.660 38.487 0.142 0.000 0.973 3149 N HN 0.342 nan 8.380 nan 0.000 0.448 3150 W N 2.985 124.333 121.300 0.079 0.000 2.308 3150 W HA 0.047 4.693 4.660 -0.023 0.000 0.324 3150 W C -1.602 174.975 176.519 0.096 0.000 1.387 3150 W CA -1.213 56.189 57.345 0.095 0.000 1.250 3150 W CB 0.956 30.502 29.460 0.143 0.000 1.257 3150 W HN 0.095 nan 8.180 nan 0.000 0.554 3151 P HA -0.171 nan 4.420 nan 0.000 0.216 3151 P C -0.082 177.123 177.300 -0.159 0.000 1.153 3151 P CA 1.607 64.518 63.100 -0.315 0.000 0.848 3151 P CB 0.121 31.563 31.700 -0.430 0.000 0.787 3152 E N 0.693 120.770 120.200 -0.205 0.000 2.338 3152 E HA 0.052 4.388 4.350 -0.023 0.000 0.272 3152 E C 0.461 177.300 176.600 0.399 0.000 1.029 3152 E CA 0.058 56.535 56.400 0.130 0.000 0.872 3152 E CB 0.009 29.830 29.700 0.203 0.000 1.015 3152 E HN 0.454 nan 8.360 nan 0.000 0.417 3153 N N 1.485 120.391 118.700 0.344 0.000 2.203 3153 N HA -0.044 4.682 4.740 -0.023 0.000 0.207 3153 N C 0.037 175.904 175.510 0.594 0.000 1.130 3153 N CA -0.086 53.233 53.050 0.448 0.000 0.861 3153 N CB 0.291 38.907 38.487 0.214 0.000 1.005 3153 N HN 0.322 nan 8.380 nan 0.000 0.507 3154 H N 1.043 120.309 119.070 0.326 0.000 2.616 3154 H HA 0.328 4.870 4.556 -0.024 0.000 0.229 3154 H C -1.060 174.268 175.328 -0.000 0.000 1.418 3154 H CA -0.540 55.632 56.048 0.208 0.000 1.248 3154 H CB -0.203 29.636 29.762 0.129 0.000 1.822 3154 H HN -0.182 nan 8.280 nan 0.000 0.522 3155 V N 2.470 122.131 119.914 -0.421 0.000 2.637 3155 V HA 0.082 4.188 4.120 -0.023 0.000 0.296 3155 V C 1.055 176.851 176.094 -0.497 0.000 1.046 3155 V CA 0.377 62.286 62.300 -0.652 0.000 1.066 3155 V CB 1.347 32.417 31.823 -1.256 0.000 0.968 3155 V HN 0.570 nan 8.190 nan 0.000 0.483 3156 K N 2.647 122.836 120.400 -0.350 0.000 2.464 3156 K HA 0.423 4.729 4.320 -0.023 0.000 0.206 3156 K C 0.104 176.626 176.600 -0.130 0.000 1.186 3156 K CA 0.415 56.562 56.287 -0.233 0.000 0.990 3156 K CB 1.597 33.976 32.500 -0.201 0.000 1.003 3156 K HN 0.683 nan 8.250 nan 0.000 0.562 3157 A N 1.310 124.040 122.820 -0.150 0.000 2.408 3157 A HA 0.595 4.901 4.320 -0.023 0.000 0.295 3157 A C -1.042 176.408 177.584 -0.225 0.000 1.040 3157 A CA -0.510 51.483 52.037 -0.073 0.000 0.707 3157 A CB 1.631 20.715 19.000 0.138 0.000 1.235 3157 A HN -0.100 nan 8.150 nan 0.000 0.418 3158 V N 2.365 122.149 119.914 -0.217 0.000 2.604 3158 V HA 0.597 4.703 4.120 -0.023 0.000 0.305 3158 V C -0.614 175.304 176.094 -0.294 0.000 1.043 3158 V CA -0.539 61.585 62.300 -0.293 0.000 0.888 3158 V CB 1.962 33.625 31.823 -0.268 0.000 0.995 3158 V HN 0.704 nan 8.190 nan 0.000 0.429 3159 V N 5.170 124.873 119.914 -0.352 0.000 2.407 3159 V HA 0.528 4.634 4.120 -0.023 0.000 0.291 3159 V C -0.391 175.510 176.094 -0.321 0.000 1.018 3159 V CA -0.536 61.556 62.300 -0.346 0.000 0.842 3159 V CB 1.832 33.421 31.823 -0.389 0.000 0.996 3159 V HN 0.602 nan 8.190 nan 0.000 0.426 3160 V N 4.787 124.502 119.914 -0.333 0.000 2.715 3160 V HA 0.881 4.987 4.120 -0.023 0.000 0.310 3160 V C -0.216 175.809 176.094 -0.114 0.000 1.054 3160 V CA 0.171 62.286 62.300 -0.309 0.000 0.928 3160 V CB 2.522 34.096 31.823 -0.416 0.000 1.007 3160 V HN 0.968 nan 8.190 nan 0.000 0.437 3161 T N 2.254 116.726 114.554 -0.137 0.000 2.864 3161 T HA 0.466 4.802 4.350 -0.023 0.000 0.299 3161 T C -0.639 173.788 174.700 -0.456 0.000 1.166 3161 T CA 0.186 62.174 62.100 -0.187 0.000 1.007 3161 T CB 1.795 70.549 68.868 -0.191 0.000 1.219 3161 T HN 0.927 nan 8.240 nan 0.000 0.506 3162 D N -0.232 119.684 120.400 -0.807 0.000 2.500 3162 D HA 0.250 4.876 4.640 -0.023 0.000 0.217 3162 D C 1.340 177.438 176.300 -0.335 0.000 1.159 3162 D CA 0.690 54.362 54.000 -0.548 0.000 0.828 3162 D CB -0.259 40.173 40.800 -0.613 0.000 1.039 3162 D HN 1.100 nan 8.370 nan 0.000 0.512 3163 G N 1.299 109.913 108.800 -0.310 0.000 2.168 3163 G HA2 -0.420 3.526 3.960 -0.023 0.000 0.257 3163 G HA3 -0.420 3.526 3.960 -0.023 0.000 0.257 3163 G C 0.742 175.556 174.900 -0.143 0.000 0.997 3163 G CA 0.733 45.726 45.100 -0.178 0.000 0.708 3163 G HN 0.507 nan 8.290 nan 0.000 0.520 3164 E N -0.528 119.568 120.200 -0.173 0.000 2.216 3164 E HA 0.056 4.392 4.350 -0.023 0.000 0.192 3164 E C 1.698 178.260 176.600 -0.063 0.000 0.988 3164 E CA 0.371 56.708 56.400 -0.105 0.000 0.834 3164 E CB 0.055 29.701 29.700 -0.090 0.000 0.772 3164 E HN 0.317 nan 8.360 nan 0.000 0.479 3165 R N 1.330 121.796 120.500 -0.057 0.000 2.681 3165 R HA 0.179 4.505 4.340 -0.023 0.000 0.277 3165 R C -1.055 175.220 176.300 -0.041 0.000 1.563 3165 R CA -0.432 55.651 56.100 -0.030 0.000 1.673 3165 R CB 0.212 30.516 30.300 0.007 0.000 1.258 3165 R HN 0.110 nan 8.270 nan 0.000 0.650 3166 I N 4.996 125.532 120.570 -0.056 0.000 2.406 3166 I HA 0.022 4.178 4.170 -0.023 0.000 0.293 3166 I C 1.585 177.665 176.117 -0.062 0.000 1.101 3166 I CA 0.476 61.736 61.300 -0.065 0.000 1.334 3166 I CB -0.442 37.515 38.000 -0.072 0.000 1.421 3166 I HN 0.568 nan 8.210 nan 0.000 0.513 3167 L N 5.011 126.196 121.223 -0.064 0.000 6.780 3167 L HA -0.296 4.030 4.340 -0.023 0.000 0.053 3167 L C 1.321 178.158 176.870 -0.055 0.000 1.778 3167 L CA 1.420 56.218 54.840 -0.070 0.000 1.657 3167 L CB -1.420 40.584 42.059 -0.093 0.000 2.738 3167 L HN 0.712 nan 8.230 nan 0.000 1.065 3168 G N -0.736 108.029 108.800 -0.059 0.000 3.707 3168 G HA2 0.429 4.375 3.960 -0.023 0.000 0.286 3168 G HA3 0.429 4.375 3.960 -0.023 0.000 0.286 3168 G C 0.602 175.475 174.900 -0.045 0.000 1.112 3168 G CA -0.221 44.850 45.100 -0.049 0.000 0.861 3168 G HN 0.195 nan 8.290 nan 0.000 0.534 3169 L N -0.034 121.161 121.223 -0.047 0.000 2.554 3169 L HA 0.352 4.678 4.340 -0.023 0.000 0.225 3169 L C 1.702 178.550 176.870 -0.037 0.000 1.104 3169 L CA 0.786 55.602 54.840 -0.041 0.000 0.866 3169 L CB -0.928 41.105 42.059 -0.043 0.000 1.047 3169 L HN 0.418 nan 8.230 nan 0.000 0.468 3170 G N 0.008 108.785 108.800 -0.039 0.000 2.527 3170 G HA2 -0.265 3.681 3.960 -0.023 0.000 0.227 3170 G HA3 -0.265 3.681 3.960 -0.023 0.000 0.227 3170 G C -0.291 174.582 174.900 -0.045 0.000 1.291 3170 G CA -0.124 44.953 45.100 -0.038 0.000 0.904 3170 G HN 0.183 nan 8.290 nan 0.000 0.577 3171 D N 0.878 121.247 120.400 -0.051 0.000 2.349 3171 D HA 0.302 4.928 4.640 -0.023 0.000 0.266 3171 D C 1.286 177.547 176.300 -0.065 0.000 1.293 3171 D CA 0.187 54.149 54.000 -0.064 0.000 0.926 3171 D CB 0.172 40.929 40.800 -0.072 0.000 1.090 3171 D HN 0.406 nan 8.370 nan 0.000 0.502 3172 L N 3.194 124.386 121.223 -0.050 0.000 2.906 3172 L HA 0.259 4.585 4.340 -0.023 0.000 0.255 3172 L C 1.608 178.485 176.870 0.013 0.000 1.166 3172 L CA 0.003 54.835 54.840 -0.014 0.000 0.977 3172 L CB -0.004 42.072 42.059 0.028 0.000 1.313 3172 L HN 0.660 nan 8.230 nan 0.000 0.549 3173 G N 0.527 109.317 108.800 -0.016 0.000 2.594 3173 G HA2 -0.360 3.586 3.960 -0.023 0.000 0.297 3173 G HA3 -0.360 3.586 3.960 -0.023 0.000 0.297 3173 G C 0.809 175.768 174.900 0.098 0.000 1.273 3173 G CA 0.182 45.319 45.100 0.061 0.000 0.974 3173 G HN -0.087 nan 8.290 nan 0.000 0.552 3174 V N 0.491 120.491 119.914 0.142 0.000 2.867 3174 V HA -0.137 3.969 4.120 -0.023 0.000 0.260 3174 V C 2.240 178.465 176.094 0.218 0.000 1.099 3174 V CA 2.495 64.848 62.300 0.087 0.000 1.122 3174 V CB -0.851 30.908 31.823 -0.107 0.000 0.708 3174 V HN 0.544 nan 8.190 nan 0.000 0.490 3175 Y N 0.507 120.854 120.300 0.079 0.000 2.574 3175 Y HA 0.028 4.564 4.550 -0.024 0.000 0.294 3175 Y C 1.870 177.560 175.900 -0.351 0.000 1.142 3175 Y CA -0.183 57.905 58.100 -0.021 0.000 1.314 3175 Y CB 0.022 38.536 38.460 0.091 0.000 0.991 3175 Y HN 0.443 nan 8.280 nan 0.000 0.555 3179 I N 1.846 122.352 120.570 -0.106 0.000 2.206 3179 I HA 0.054 4.210 4.170 -0.023 0.000 0.239 3179 I C -0.242 175.843 176.117 -0.053 0.000 1.078 3179 I CA 0.846 62.111 61.300 -0.057 0.000 1.367 3179 I CB -1.649 36.297 38.000 -0.090 0.000 1.078 3179 I HN -0.018 nan 8.210 nan 0.000 0.413 3180 P HA -0.064 nan 4.420 nan 0.000 0.217 3180 P C 2.271 179.497 177.300 -0.124 0.000 1.150 3180 P CA 0.982 63.986 63.100 -0.160 0.000 0.832 3180 P CB 0.044 31.614 31.700 -0.217 0.000 0.787 3181 V N 0.204 120.080 119.914 -0.063 0.000 2.287 3181 V HA -0.209 3.897 4.120 -0.023 0.000 0.248 3181 V C 2.583 178.706 176.094 0.050 0.000 1.053 3181 V CA 2.609 64.907 62.300 -0.004 0.000 1.027 3181 V CB -1.816 30.050 31.823 0.072 0.000 0.646 3181 V HN 0.192 nan 8.190 nan 0.000 0.447 3182 G N -0.754 108.104 108.800 0.097 0.000 2.408 3182 G HA2 -0.179 3.767 3.960 -0.023 0.000 0.217 3182 G HA3 -0.179 3.767 3.960 -0.023 0.000 0.217 3182 G C 1.656 176.649 174.900 0.156 0.000 1.150 3182 G CA 0.393 45.594 45.100 0.168 0.000 0.776 3182 G HN 0.356 nan 8.290 nan 0.000 0.542 3183 K N 0.213 120.664 120.400 0.085 0.000 2.057 3183 K HA 0.093 4.399 4.320 -0.023 0.000 0.207 3183 K C 2.454 179.120 176.600 0.110 0.000 1.049 3183 K CA 0.517 56.839 56.287 0.058 0.000 0.931 3183 K CB -0.459 31.907 32.500 -0.224 0.000 0.714 3183 K HN 0.331 nan 8.250 nan 0.000 0.440 3184 L N 0.388 121.564 121.223 -0.077 0.000 2.291 3184 L HA -0.165 4.161 4.340 -0.023 0.000 0.214 3184 L C 2.457 179.386 176.870 0.097 0.000 1.120 3184 L CA 0.511 55.255 54.840 -0.160 0.000 0.799 3184 L CB -0.378 41.522 42.059 -0.264 0.000 0.925 3184 L HN 0.167 nan 8.230 nan 0.000 0.446 3185 C N -0.253 119.149 119.300 0.171 0.000 2.435 3185 C HA -0.100 4.346 4.460 -0.023 0.000 0.279 3185 C C 2.592 177.728 174.990 0.244 0.000 1.321 3185 C CA 0.327 59.516 59.018 0.285 0.000 1.752 3185 C CB -0.733 27.151 27.740 0.240 0.000 1.959 3185 C HN 0.451 nan 8.230 nan 0.000 0.500 3186 L N -1.206 120.141 121.223 0.207 0.000 2.313 3186 L HA -0.071 4.255 4.340 -0.023 0.000 0.214 3186 L C 2.387 179.371 176.870 0.189 0.000 1.119 3186 L CA 1.054 55.973 54.840 0.133 0.000 0.809 3186 L CB -0.643 41.470 42.059 0.090 0.000 0.933 3186 L HN 0.260 nan 8.230 nan 0.000 0.449 3187 Y N 0.689 121.054 120.300 0.108 0.000 2.207 3187 Y HA -0.246 4.290 4.550 -0.023 0.000 0.287 3187 Y C 2.759 178.621 175.900 -0.062 0.000 1.156 3187 Y CA 1.753 59.891 58.100 0.064 0.000 1.182 3187 Y CB -0.575 37.919 38.460 0.057 0.000 0.979 3187 Y HN 0.108 nan 8.280 nan 0.000 0.521 3188 T N -1.172 113.405 114.554 0.038 0.000 2.976 3188 T HA 0.061 4.397 4.350 -0.023 0.000 0.257 3188 T C 2.101 176.697 174.700 -0.173 0.000 1.051 3188 T CA 0.869 62.830 62.100 -0.232 0.000 1.141 3188 T CB -0.352 68.094 68.868 -0.705 0.000 0.881 3188 T HN 0.311 nan 8.240 nan 0.000 0.461 3189 A N 0.036 122.834 122.820 -0.035 0.000 2.014 3189 A HA 0.001 4.307 4.320 -0.023 0.000 0.218 3189 A C 2.388 179.944 177.584 -0.046 0.000 1.163 3189 A CA 0.936 52.983 52.037 0.018 0.000 0.652 3189 A CB -0.846 18.187 19.000 0.054 0.000 0.808 3189 A HN 0.602 nan 8.150 nan 0.000 0.449 3190 C N -2.420 116.829 119.300 -0.084 0.000 2.487 3190 C HA 0.495 4.941 4.460 -0.023 0.000 0.311 3190 C C 2.676 177.594 174.990 -0.120 0.000 1.367 3190 C CA 0.530 59.466 59.018 -0.136 0.000 1.865 3190 C CB -0.261 27.341 27.740 -0.230 0.000 2.277 3190 C HN 0.650 nan 8.230 nan 0.000 0.521 3191 A N -0.413 122.339 122.820 -0.114 0.000 2.390 3191 A HA 0.502 4.808 4.320 -0.023 0.000 0.232 3191 A C 1.517 179.066 177.584 -0.058 0.000 1.233 3191 A CA 0.984 52.958 52.037 -0.104 0.000 0.907 3191 A CB -0.582 18.325 19.000 -0.156 0.000 0.967 3191 A HN 1.151 nan 8.150 nan 0.000 0.512 3192 G N 0.211 108.992 108.800 -0.033 0.000 2.198 3192 G HA2 -0.234 3.712 3.960 -0.023 0.000 0.260 3192 G HA3 -0.234 3.712 3.960 -0.023 0.000 0.260 3192 G C 0.142 175.061 174.900 0.031 0.000 1.025 3192 G CA 0.423 45.544 45.100 0.036 0.000 0.769 3192 G HN 0.499 nan 8.290 nan 0.000 0.507 3193 I N 0.011 120.552 120.570 -0.049 0.000 2.634 3193 I HA 0.161 4.317 4.170 -0.023 0.000 0.284 3193 I C 1.342 177.332 176.117 -0.211 0.000 1.124 3193 I CA -0.408 60.857 61.300 -0.058 0.000 1.417 3193 I CB 0.551 38.561 38.000 0.016 0.000 1.396 3193 I HN 0.083 nan 8.210 nan 0.000 0.571 3194 R N 6.576 126.958 120.500 -0.196 0.000 2.421 3194 R HA 0.081 4.407 4.340 -0.023 0.000 0.305 3194 R C -1.546 174.481 176.300 -0.456 0.000 1.039 3194 R CA -1.202 54.641 56.100 -0.429 0.000 1.003 3194 R CB 0.292 30.513 30.300 -0.132 0.000 0.959 3194 R HN 0.395 nan 8.270 nan 0.000 0.427 3195 P HA -0.236 nan 4.420 nan 0.000 0.215 3195 P C 0.528 177.722 177.300 -0.176 0.000 1.163 3195 P CA 1.406 64.255 63.100 -0.419 0.000 0.894 3195 P CB 0.102 31.521 31.700 -0.468 0.000 0.791 3196 D N -1.209 119.109 120.400 -0.136 0.000 2.392 3196 D HA -0.148 4.478 4.640 -0.023 0.000 0.228 3196 D C 1.268 177.572 176.300 0.007 0.000 1.003 3196 D CA 0.741 54.735 54.000 -0.011 0.000 0.917 3196 D CB -0.677 40.137 40.800 0.023 0.000 0.890 3196 D HN 0.204 nan 8.370 nan 0.000 0.532 3197 R N -0.655 119.805 120.500 -0.067 0.000 2.432 3197 R HA 0.235 4.561 4.340 -0.023 0.000 0.260 3197 R C -0.225 175.984 176.300 -0.152 0.000 0.935 3197 R CA -0.212 55.824 56.100 -0.107 0.000 1.080 3197 R CB 0.359 30.587 30.300 -0.121 0.000 1.155 3197 R HN 0.148 nan 8.270 nan 0.000 0.531 3198 C N 1.470 120.696 119.300 -0.124 0.000 2.376 3198 C HA 0.597 5.043 4.460 -0.023 0.000 0.335 3198 C C -0.252 174.617 174.990 -0.202 0.000 1.229 3198 C CA -0.893 58.015 59.018 -0.182 0.000 1.867 3198 C CB 1.105 28.741 27.740 -0.172 0.000 2.319 3198 C HN 0.309 nan 8.230 nan 0.000 0.515 3199 L N 5.729 126.740 121.223 -0.354 0.000 2.504 3199 L HA 0.552 4.878 4.340 -0.023 0.000 0.265 3199 L C -2.819 173.751 176.870 -0.500 0.000 0.975 3199 L CA -1.425 53.093 54.840 -0.537 0.000 0.864 3199 L CB 1.506 43.073 42.059 -0.820 0.000 1.212 3199 L HN 0.392 nan 8.230 nan 0.000 0.416 3200 P HA 0.428 nan 4.420 nan 0.000 0.280 3200 P C -1.260 175.773 177.300 -0.445 0.000 1.244 3200 P CA -0.238 62.638 63.100 -0.374 0.000 0.784 3200 P CB 1.605 33.148 31.700 -0.262 0.000 0.913 3201 V N 2.809 122.476 119.914 -0.411 0.000 2.841 3201 V HA 0.435 4.541 4.120 -0.023 0.000 0.310 3201 V C -0.501 175.327 176.094 -0.445 0.000 1.090 3201 V CA -0.523 61.506 62.300 -0.453 0.000 0.930 3201 V CB 2.446 34.023 31.823 -0.410 0.000 1.014 3201 V HN 0.710 nan 8.190 nan 0.000 0.425 3202 C N 6.318 125.336 119.300 -0.470 0.000 2.396 3202 C HA 0.685 5.131 4.460 -0.023 0.000 0.321 3202 C C -0.703 174.122 174.990 -0.275 0.000 1.233 3202 C CA -0.483 58.329 59.018 -0.344 0.000 1.440 3202 C CB 0.147 27.723 27.740 -0.274 0.000 2.110 3202 C HN 0.721 nan 8.230 nan 0.000 0.473 3203 I N 5.365 125.778 120.570 -0.263 0.000 2.304 3203 I HA 0.301 4.457 4.170 -0.023 0.000 0.291 3203 I C -0.045 176.026 176.117 -0.077 0.000 1.018 3203 I CA 0.338 61.521 61.300 -0.195 0.000 1.260 3203 I CB 1.153 39.034 38.000 -0.197 0.000 1.390 3203 I HN 0.686 nan 8.210 nan 0.000 0.475 3204 D N 6.688 127.076 120.400 -0.019 0.000 2.454 3204 D HA 0.323 4.949 4.640 -0.023 0.000 0.225 3204 D C 0.492 176.816 176.300 0.040 0.000 1.081 3204 D CA -0.346 53.661 54.000 0.012 0.000 0.864 3204 D CB 1.149 41.956 40.800 0.012 0.000 1.040 3204 D HN 0.303 nan 8.370 nan 0.000 0.517 3205 V N 1.595 121.545 119.914 0.059 0.000 3.276 3205 V HA 0.715 4.821 4.120 -0.023 0.000 0.319 3205 V C 0.949 177.068 176.094 0.041 0.000 1.427 3205 V CA 0.145 62.496 62.300 0.084 0.000 1.102 3205 V CB -0.359 31.564 31.823 0.167 0.000 1.020 3205 V HN 0.696 nan 8.190 nan 0.000 0.456 3206 G N -0.338 108.480 108.800 0.030 0.000 2.462 3206 G HA2 0.258 4.204 3.960 -0.023 0.000 0.685 3206 G HA3 0.258 4.204 3.960 -0.023 0.000 0.685 3206 G C -0.584 174.314 174.900 -0.003 0.000 1.295 3206 G CA -0.081 45.034 45.100 0.024 0.000 0.941 3206 G HN 0.843 nan 8.290 nan 0.000 0.554 3207 T N -1.132 113.400 114.554 -0.036 0.000 2.956 3207 T HA 0.583 4.919 4.350 -0.023 0.000 0.312 3207 T C -0.412 174.225 174.700 -0.106 0.000 1.151 3207 T CA 0.111 62.154 62.100 -0.095 0.000 1.024 3207 T CB 1.736 70.488 68.868 -0.193 0.000 1.140 3207 T HN 0.393 nan 8.240 nan 0.000 0.473 3208 D N 1.890 122.230 120.400 -0.100 0.000 2.349 3208 D HA 0.109 4.735 4.640 -0.023 0.000 0.214 3208 D C 0.572 176.814 176.300 -0.098 0.000 1.063 3208 D CA 0.112 54.062 54.000 -0.084 0.000 0.847 3208 D CB 0.166 40.926 40.800 -0.066 0.000 0.933 3208 D HN 0.451 nan 8.370 nan 0.000 0.513 3209 N N 2.093 120.712 118.700 -0.135 0.000 2.406 3209 N HA -0.067 4.659 4.740 -0.023 0.000 0.274 3209 N C 1.213 176.632 175.510 -0.151 0.000 1.249 3209 N CA -0.098 52.867 53.050 -0.142 0.000 0.951 3209 N CB 0.272 38.653 38.487 -0.178 0.000 1.241 3209 N HN -0.094 nan 8.380 nan 0.000 0.485 3210 I N 3.157 123.667 120.570 -0.100 0.000 2.151 3210 I HA -0.308 3.848 4.170 -0.023 0.000 0.243 3210 I C 2.191 178.255 176.117 -0.088 0.000 1.080 3210 I CA 1.222 62.473 61.300 -0.082 0.000 1.339 3210 I CB -1.733 36.234 38.000 -0.055 0.000 1.039 3210 I HN 0.594 nan 8.210 nan 0.000 0.409 3211 A N 0.682 123.453 122.820 -0.082 0.000 1.908 3211 A HA -0.188 4.118 4.320 -0.023 0.000 0.218 3211 A C 2.427 179.954 177.584 -0.094 0.000 1.181 3211 A CA 1.525 53.525 52.037 -0.062 0.000 0.627 3211 A CB -0.835 18.143 19.000 -0.037 0.000 0.818 3211 A HN 0.438 nan 8.150 nan 0.000 0.445 3212 L N -0.891 120.207 121.223 -0.208 0.000 2.109 3212 L HA -0.094 4.232 4.340 -0.023 0.000 0.207 3212 L C 2.343 179.029 176.870 -0.308 0.000 1.086 3212 L CA 0.760 55.363 54.840 -0.395 0.000 0.760 3212 L CB -0.504 41.051 42.059 -0.840 0.000 0.910 3212 L HN 0.350 nan 8.230 nan 0.000 0.437 3213 L N 0.519 121.608 121.223 -0.223 0.000 2.450 3213 L HA -0.181 4.145 4.340 -0.023 0.000 0.224 3213 L C 2.027 178.912 176.870 0.024 0.000 1.149 3213 L CA 1.170 56.002 54.840 -0.013 0.000 0.816 3213 L CB -0.288 41.744 42.059 -0.045 0.000 0.932 3213 L HN 0.415 nan 8.230 nan 0.000 0.449 3214 K N -1.948 118.439 120.400 -0.021 0.000 2.438 3214 K HA 0.132 4.438 4.320 -0.023 0.000 0.205 3214 K C -0.078 176.512 176.600 -0.018 0.000 1.033 3214 K CA -0.355 55.901 56.287 -0.052 0.000 1.089 3214 K CB 0.356 32.823 32.500 -0.055 0.000 0.857 3214 K HN -0.130 nan 8.250 nan 0.000 0.522 3215 D N 2.925 123.367 120.400 0.069 0.000 2.274 3215 D HA 0.144 4.770 4.640 -0.023 0.000 0.239 3215 D C -1.515 174.891 176.300 0.176 0.000 1.104 3215 D CA -2.456 51.615 54.000 0.117 0.000 0.840 3215 D CB 1.897 42.803 40.800 0.177 0.000 1.100 3215 D HN -0.024 nan 8.370 nan 0.000 0.477 3216 P HA -0.041 nan 4.420 nan 0.000 0.230 3216 P C 0.791 178.094 177.300 0.005 0.000 1.158 3216 P CA 0.474 63.511 63.100 -0.105 0.000 0.769 3216 P CB 0.070 31.552 31.700 -0.365 0.000 0.807 3217 F N -2.230 117.889 119.950 0.282 0.000 2.749 3217 F HA 0.201 4.714 4.527 -0.023 0.000 0.300 3217 F C 1.594 177.591 175.800 0.328 0.000 1.103 3217 F CA -1.618 56.550 58.000 0.279 0.000 1.342 3217 F CB -1.283 37.937 39.000 0.365 0.000 1.098 3217 F HN -0.133 nan 8.300 nan 0.000 0.586 3221 L N 0.559 121.656 121.223 -0.211 0.000 2.410 3221 L HA 0.339 4.665 4.340 -0.023 0.000 0.273 3221 L C -0.179 176.695 176.870 0.007 0.000 1.152 3221 L CA -0.223 54.569 54.840 -0.080 0.000 0.855 3221 L CB 0.086 42.142 42.059 -0.006 0.000 1.129 3221 L HN 0.481 nan 8.230 nan 0.000 0.463 3222 Y N 4.325 124.686 120.300 0.101 0.000 2.570 3222 Y HA 0.280 4.816 4.550 -0.023 0.000 0.336 3222 Y C 0.505 176.422 175.900 0.027 0.000 1.284 3222 Y CA -0.230 57.919 58.100 0.082 0.000 1.761 3222 Y CB -0.187 38.304 38.460 0.052 0.000 1.724 3222 Y HN 0.581 nan 8.280 nan 0.000 0.455 3223 Q N 0.136 120.015 119.800 0.132 0.000 2.522 3223 Q HA 0.456 4.782 4.340 -0.023 0.000 0.285 3223 Q C -1.437 174.579 176.000 0.026 0.000 0.982 3223 Q CA -1.381 54.464 55.803 0.070 0.000 0.805 3223 Q CB 1.702 30.477 28.738 0.062 0.000 1.457 3223 Q HN 0.155 nan 8.270 nan 0.000 0.394 3224 K N 1.147 121.551 120.400 0.007 0.000 2.180 3224 K HA 0.271 4.577 4.320 -0.023 0.000 0.251 3224 K C -0.232 176.357 176.600 -0.018 0.000 1.014 3224 K CA -0.524 55.752 56.287 -0.019 0.000 0.913 3224 K CB 0.498 32.986 32.500 -0.020 0.000 1.008 3224 K HN 0.466 nan 8.250 nan 0.000 0.490 3225 R N 1.730 122.205 120.500 -0.041 0.000 2.522 3225 R HA -0.060 4.266 4.340 -0.023 0.000 0.284 3225 R C 0.060 176.331 176.300 -0.048 0.000 1.032 3225 R CA 0.051 56.117 56.100 -0.056 0.000 1.049 3225 R CB 0.182 30.421 30.300 -0.101 0.000 0.956 3225 R HN 0.520 nan 8.270 nan 0.000 0.422 3226 D N 2.927 123.311 120.400 -0.026 0.000 2.316 3226 D HA 0.035 4.661 4.640 -0.023 0.000 0.245 3226 D C 0.105 176.385 176.300 -0.033 0.000 1.171 3226 D CA -0.095 53.910 54.000 0.009 0.000 0.856 3226 D CB 0.732 41.572 40.800 0.067 0.000 1.090 3226 D HN 0.471 nan 8.370 nan 0.000 0.476 3227 R N 2.244 122.731 120.500 -0.023 0.000 2.577 3227 R HA 0.132 4.458 4.340 -0.023 0.000 0.344 3227 R C 0.771 177.120 176.300 0.082 0.000 1.037 3227 R CA -0.409 55.669 56.100 -0.037 0.000 1.102 3227 R CB 0.245 30.507 30.300 -0.063 0.000 1.313 3227 R HN 0.454 nan 8.270 nan 0.000 0.561 3228 T N -1.937 112.685 114.554 0.112 0.000 2.729 3228 T HA -0.049 4.287 4.350 -0.023 0.000 0.298 3228 T C 1.178 175.992 174.700 0.191 0.000 1.013 3228 T CA -0.531 61.644 62.100 0.126 0.000 0.957 3228 T CB 1.120 70.048 68.868 0.100 0.000 1.130 3228 T HN 0.041 nan 8.240 nan 0.000 0.526 3229 Q N -0.346 119.548 119.800 0.156 0.000 2.437 3229 Q HA -0.139 4.187 4.340 -0.023 0.000 0.210 3229 Q C 1.925 178.030 176.000 0.176 0.000 0.972 3229 Q CA 1.095 56.999 55.803 0.167 0.000 0.903 3229 Q CB -0.183 28.626 28.738 0.118 0.000 0.967 3229 Q HN 0.754 nan 8.270 nan 0.000 0.486 3230 Q N -0.806 119.098 119.800 0.172 0.000 2.297 3230 Q HA -0.162 4.164 4.340 -0.023 0.000 0.204 3230 Q C 1.479 177.608 176.000 0.216 0.000 0.962 3230 Q CA 1.004 56.903 55.803 0.160 0.000 0.879 3230 Q CB -0.059 28.760 28.738 0.135 0.000 0.947 3230 Q HN 0.448 nan 8.270 nan 0.000 0.462 3231 Y N 2.033 122.415 120.300 0.137 0.000 2.153 3231 Y HA -0.190 4.346 4.550 -0.023 0.000 0.289 3231 Y C 1.320 177.358 175.900 0.230 0.000 1.127 3231 Y CA 1.861 60.066 58.100 0.175 0.000 1.131 3231 Y CB -0.223 38.356 38.460 0.198 0.000 0.995 3231 Y HN 0.045 nan 8.280 nan 0.000 0.505 3232 D N 0.063 120.576 120.400 0.187 0.000 2.123 3232 D HA -0.187 4.439 4.640 -0.023 0.000 0.196 3232 D C 1.747 178.105 176.300 0.096 0.000 0.992 3232 D CA 1.907 55.995 54.000 0.146 0.000 0.833 3232 D CB -0.489 40.454 40.800 0.239 0.000 0.954 3232 D HN 0.491 nan 8.370 nan 0.000 0.455 3233 D N -0.798 119.666 120.400 0.107 0.000 2.178 3233 D HA -0.104 4.522 4.640 -0.023 0.000 0.202 3233 D C 1.838 178.176 176.300 0.063 0.000 0.974 3233 D CA 0.370 54.423 54.000 0.088 0.000 0.841 3233 D CB -0.007 40.845 40.800 0.086 0.000 0.953 3233 D HN 0.058 nan 8.370 nan 0.000 0.478 3234 L N 0.177 121.429 121.223 0.048 0.000 2.027 3234 L HA -0.081 4.245 4.340 -0.023 0.000 0.206 3234 L C 1.988 178.865 176.870 0.012 0.000 1.074 3234 L CA 1.217 56.078 54.840 0.036 0.000 0.745 3234 L CB -0.360 41.727 42.059 0.047 0.000 0.898 3234 L HN 0.104 nan 8.230 nan 0.000 0.433 3235 I N -0.215 120.308 120.570 -0.080 0.000 2.264 3235 I HA -0.294 3.862 4.170 -0.023 0.000 0.248 3235 I C 2.132 178.247 176.117 -0.003 0.000 1.111 3235 I CA 1.375 62.611 61.300 -0.106 0.000 1.382 3235 I CB -1.419 36.316 38.000 -0.441 0.000 1.060 3235 I HN 0.329 nan 8.210 nan 0.000 0.418 3236 D N 0.611 121.042 120.400 0.052 0.000 2.084 3236 D HA -0.223 4.403 4.640 -0.023 0.000 0.194 3236 D C 2.194 178.509 176.300 0.025 0.000 0.990 3236 D CA 1.259 55.318 54.000 0.098 0.000 0.826 3236 D CB -0.134 40.748 40.800 0.136 0.000 0.971 3236 D HN 0.393 nan 8.370 nan 0.000 0.453 3237 E N -1.074 119.150 120.200 0.040 0.000 2.265 3237 E HA -0.136 4.200 4.350 -0.023 0.000 0.196 3237 E C 0.725 177.339 176.600 0.025 0.000 0.996 3237 E CA -0.006 56.410 56.400 0.026 0.000 0.832 3237 E CB -0.023 29.701 29.700 0.039 0.000 0.756 3237 E HN 0.174 nan 8.360 nan 0.000 0.491 3241 A N 2.008 124.722 122.820 -0.176 0.000 1.873 3241 A HA -0.055 4.251 4.320 -0.023 0.000 0.215 3241 A C 1.881 179.368 177.584 -0.162 0.000 1.186 3241 A CA 1.341 53.304 52.037 -0.123 0.000 0.616 3241 A CB -0.422 18.544 19.000 -0.057 0.000 0.823 3241 A HN 0.293 nan 8.150 nan 0.000 0.442 3242 I N 0.923 121.322 120.570 -0.284 0.000 2.179 3242 I HA -0.203 3.953 4.170 -0.023 0.000 0.242 3242 I C 2.739 178.772 176.117 -0.139 0.000 1.088 3242 I CA 2.347 63.505 61.300 -0.238 0.000 1.357 3242 I CB -1.583 36.094 38.000 -0.537 0.000 1.051 3242 I HN 0.566 nan 8.210 nan 0.000 0.409 3243 T N -2.580 111.842 114.554 -0.220 0.000 2.985 3243 T HA -0.073 4.263 4.350 -0.023 0.000 0.266 3243 T C 1.521 176.193 174.700 -0.047 0.000 1.076 3243 T CA 0.738 62.775 62.100 -0.104 0.000 1.135 3243 T CB -0.211 68.599 68.868 -0.097 0.000 0.890 3243 T HN 0.125 nan 8.240 nan 0.000 0.480 3244 D N 1.624 121.980 120.400 -0.073 0.000 2.144 3244 D HA -0.032 4.594 4.640 -0.023 0.000 0.200 3244 D C 2.244 178.491 176.300 -0.090 0.000 0.978 3244 D CA 0.948 54.914 54.000 -0.057 0.000 0.833 3244 D CB -0.171 40.594 40.800 -0.058 0.000 0.961 3244 D HN 0.546 nan 8.370 nan 0.000 0.470 3245 R N -1.096 119.308 120.500 -0.161 0.000 2.140 3245 R HA -0.002 4.324 4.340 -0.023 0.000 0.213 3245 R C 1.358 177.422 176.300 -0.394 0.000 1.059 3245 R CA 0.826 56.733 56.100 -0.320 0.000 1.000 3245 R CB -0.096 29.906 30.300 -0.496 0.000 0.910 3245 R HN 0.187 nan 8.270 nan 0.000 0.455 3246 Y N -0.525 119.766 120.300 -0.016 0.000 2.430 3246 Y HA 0.429 4.965 4.550 -0.024 0.000 0.248 3246 Y C 0.404 176.312 175.900 0.015 0.000 1.108 3246 Y CA 0.147 58.252 58.100 0.009 0.000 1.264 3246 Y CB 1.796 40.235 38.460 -0.035 0.000 1.172 3246 Y HN 0.329 nan 8.280 nan 0.000 0.520 3247 G N 0.539 109.406 108.800 0.112 0.000 2.528 3247 G HA2 -0.150 3.796 3.960 -0.023 0.000 0.681 3247 G HA3 -0.150 3.796 3.960 -0.023 0.000 0.681 3247 G C -0.229 174.705 174.900 0.056 0.000 1.340 3247 G CA -0.608 44.541 45.100 0.081 0.000 0.855 3247 G HN 0.131 nan 8.290 nan 0.000 0.649 3248 R N 0.655 121.187 120.500 0.053 0.000 2.189 3248 R HA -0.077 4.249 4.340 -0.023 0.000 0.223 3248 R C 2.126 178.472 176.300 0.076 0.000 1.092 3248 R CA 1.891 58.041 56.100 0.083 0.000 0.989 3248 R CB -0.082 30.258 30.300 0.066 0.000 0.876 3248 R HN 0.593 nan 8.270 nan 0.000 0.457 3249 N N -0.929 117.789 118.700 0.031 0.000 2.314 3249 N HA -0.030 4.696 4.740 -0.023 0.000 0.200 3249 N C -0.750 174.780 175.510 0.032 0.000 1.135 3249 N CA 0.013 53.073 53.050 0.017 0.000 0.835 3249 N CB 0.082 38.558 38.487 -0.019 0.000 0.989 3249 N HN -0.149 nan 8.380 nan 0.000 0.478 3250 T N 1.699 116.265 114.554 0.021 0.000 2.902 3250 T HA 0.001 4.337 4.350 -0.023 0.000 0.301 3250 T C 0.339 175.038 174.700 -0.002 0.000 1.012 3250 T CA -0.392 61.699 62.100 -0.016 0.000 1.151 3250 T CB 0.681 69.518 68.868 -0.051 0.000 0.946 3250 T HN 0.238 nan 8.240 nan 0.000 0.542 3251 L N 4.959 126.194 121.223 0.019 0.000 2.418 3251 L HA 0.355 4.681 4.340 -0.023 0.000 0.274 3251 L C -0.534 176.361 176.870 0.041 0.000 1.135 3251 L CA 0.065 54.962 54.840 0.094 0.000 0.870 3251 L CB 0.078 42.233 42.059 0.160 0.000 1.154 3251 L HN 0.665 nan 8.230 nan 0.000 0.462 3252 I N 5.604 126.212 120.570 0.064 0.000 2.420 3252 I HA 0.213 4.369 4.170 -0.023 0.000 0.282 3252 I C -0.239 175.863 176.117 -0.026 0.000 1.019 3252 I CA -0.326 60.937 61.300 -0.062 0.000 1.130 3252 I CB 1.783 39.684 38.000 -0.166 0.000 1.262 3252 I HN 0.584 nan 8.210 nan 0.000 0.454 3253 Q N 6.720 126.421 119.800 -0.164 0.000 2.340 3253 Q HA 0.424 4.750 4.340 -0.023 0.000 0.259 3253 Q C -1.431 174.341 176.000 -0.379 0.000 0.964 3253 Q CA -0.570 54.983 55.803 -0.416 0.000 0.900 3253 Q CB 1.031 29.517 28.738 -0.420 0.000 1.228 3253 Q HN 0.412 nan 8.270 nan 0.000 0.449 3254 F N 2.606 122.310 119.950 -0.410 0.000 2.399 3254 F HA 0.309 4.822 4.527 -0.024 0.000 0.342 3254 F C 0.367 176.047 175.800 -0.199 0.000 1.106 3254 F CA 0.012 57.851 58.000 -0.268 0.000 1.196 3254 F CB 1.280 40.066 39.000 -0.356 0.000 1.163 3254 F HN 0.614 nan 8.300 nan 0.000 0.547 3255 E N 1.272 121.555 120.200 0.138 0.000 2.304 3255 E HA 0.290 4.626 4.350 -0.023 0.000 0.277 3255 E C -1.388 175.321 176.600 0.181 0.000 0.898 3255 E CA -0.594 55.849 56.400 0.071 0.000 0.764 3255 E CB 0.988 30.641 29.700 -0.080 0.000 1.216 3255 E HN 0.474 nan 8.360 nan 0.000 0.419 3256 D N 2.253 122.721 120.400 0.112 0.000 2.686 3256 D HA -0.229 4.397 4.640 -0.023 0.000 0.235 3256 D C -0.916 175.444 176.300 0.100 0.000 1.160 3256 D CA 1.014 55.056 54.000 0.070 0.000 0.645 3256 D CB -1.188 39.600 40.800 -0.020 0.000 1.039 3256 D HN 0.215 nan 8.370 nan 0.000 0.423 3257 F N 0.324 120.298 119.950 0.040 0.000 2.408 3257 F HA 0.570 5.083 4.527 -0.022 0.000 0.325 3257 F C 1.792 177.627 175.800 0.058 0.000 1.082 3257 F CA -0.114 57.947 58.000 0.100 0.000 1.032 3257 F CB 0.989 40.112 39.000 0.204 0.000 1.259 3257 F HN -0.031 nan 8.300 nan 0.000 0.503 3258 G N 1.563 110.509 108.800 0.243 0.000 2.483 3258 G HA2 -0.008 3.938 3.960 -0.023 0.000 0.248 3258 G HA3 -0.008 3.938 3.960 -0.023 0.000 0.248 3258 G C 0.898 175.908 174.900 0.183 0.000 1.248 3258 G CA -0.354 44.840 45.100 0.157 0.000 0.838 3258 G HN 0.750 nan 8.290 nan 0.000 0.566 3259 N N 0.887 119.681 118.700 0.158 0.000 2.103 3259 N HA -0.341 4.385 4.740 -0.023 0.000 0.200 3259 N C 1.841 177.540 175.510 0.315 0.000 1.016 3259 N CA 2.449 55.635 53.050 0.226 0.000 0.890 3259 N CB -0.465 38.149 38.487 0.212 0.000 1.075 3259 N HN 0.799 nan 8.380 nan 0.000 0.506 3260 H N 0.363 119.518 119.070 0.142 0.000 2.319 3260 H HA 0.009 4.551 4.556 -0.023 0.000 0.299 3260 H C 1.822 177.161 175.328 0.019 0.000 1.092 3260 H CA 2.546 58.647 56.048 0.089 0.000 1.302 3260 H CB -0.570 29.212 29.762 0.034 0.000 1.373 3260 H HN 0.463 nan 8.280 nan 0.000 0.497 3261 N N -0.351 118.267 118.700 -0.138 0.000 2.216 3261 N HA -0.072 4.654 4.740 -0.023 0.000 0.183 3261 N C 2.063 177.368 175.510 -0.341 0.000 1.017 3261 N CA 0.672 53.500 53.050 -0.370 0.000 0.861 3261 N CB -0.119 38.487 38.487 0.199 0.000 0.986 3261 N HN 0.467 nan 8.380 nan 0.000 0.428 3262 A N 0.977 123.740 122.820 -0.095 0.000 1.883 3262 A HA -0.154 4.152 4.320 -0.023 0.000 0.217 3262 A C 1.801 179.134 177.584 -0.417 0.000 1.186 3262 A CA 1.333 53.220 52.037 -0.250 0.000 0.624 3262 A CB -0.934 17.905 19.000 -0.268 0.000 0.822 3262 A HN 0.223 nan 8.150 nan 0.000 0.444 3263 F N 0.248 120.016 119.950 -0.303 0.000 2.113 3263 F HA -0.128 4.385 4.527 -0.024 0.000 0.297 3263 F C 2.648 178.284 175.800 -0.273 0.000 1.103 3263 F CA 1.676 59.468 58.000 -0.346 0.000 1.248 3263 F CB -0.213 38.469 39.000 -0.530 0.000 0.999 3263 F HN 0.287 nan 8.300 nan 0.000 0.475 3264 R N 0.085 120.473 120.500 -0.187 0.000 2.148 3264 R HA -0.126 4.200 4.340 -0.023 0.000 0.223 3264 R C 1.862 177.966 176.300 -0.327 0.000 1.088 3264 R CA 1.528 57.459 56.100 -0.282 0.000 0.985 3264 R CB -1.290 28.722 30.300 -0.480 0.000 0.880 3264 R HN 0.289 nan 8.270 nan 0.000 0.451 3265 F N 0.826 120.567 119.950 -0.349 0.000 2.416 3265 F HA 0.033 4.545 4.527 -0.024 0.000 0.296 3265 F C 2.386 177.902 175.800 -0.474 0.000 1.099 3265 F CA 0.032 57.735 58.000 -0.495 0.000 1.427 3265 F CB 0.099 38.734 39.000 -0.609 0.000 1.079 3265 F HN -0.040 nan 8.300 nan 0.000 0.536 3266 L N 0.421 121.504 121.223 -0.234 0.000 2.005 3266 L HA -0.209 4.117 4.340 -0.023 0.000 0.207 3266 L C 2.688 179.519 176.870 -0.065 0.000 1.072 3266 L CA 1.458 56.201 54.840 -0.161 0.000 0.744 3266 L CB -0.410 41.548 42.059 -0.167 0.000 0.895 3266 L HN 0.097 nan 8.230 nan 0.000 0.433 3267 R N 0.353 120.824 120.500 -0.049 0.000 2.091 3267 R HA -0.267 4.059 4.340 -0.023 0.000 0.238 3267 R C 2.374 178.619 176.300 -0.092 0.000 1.136 3267 R CA 2.070 58.159 56.100 -0.018 0.000 0.959 3267 R CB -0.186 30.133 30.300 0.032 0.000 0.856 3267 R HN 0.235 nan 8.270 nan 0.000 0.437 3268 K N -0.924 119.354 120.400 -0.204 0.000 2.148 3268 K HA -0.162 4.144 4.320 -0.023 0.000 0.204 3268 K C 1.052 177.428 176.600 -0.373 0.000 1.050 3268 K CA 1.524 57.594 56.287 -0.361 0.000 0.942 3268 K CB 0.077 32.230 32.500 -0.579 0.000 0.724 3268 K HN 0.367 nan 8.250 nan 0.000 0.446 3269 Y N -0.325 119.992 120.300 0.029 0.000 2.535 3269 Y HA 0.111 4.647 4.550 -0.024 0.000 0.264 3269 Y C 1.935 177.851 175.900 0.026 0.000 1.087 3269 Y CA -0.262 57.883 58.100 0.075 0.000 1.285 3269 Y CB 0.231 38.819 38.460 0.212 0.000 1.200 3269 Y HN -0.012 nan 8.280 nan 0.000 0.514 3270 R N 1.372 121.957 120.500 0.141 0.000 2.244 3270 R HA -0.192 4.134 4.340 -0.023 0.000 0.252 3270 R C 0.528 176.762 176.300 -0.111 0.000 1.177 3270 R CA 2.118 58.273 56.100 0.091 0.000 1.004 3270 R CB -0.492 29.863 30.300 0.092 0.000 0.873 3270 R HN 0.398 nan 8.270 nan 0.000 0.469 3271 E N -0.159 119.890 120.200 -0.251 0.000 2.526 3271 E HA 0.121 4.457 4.350 -0.023 0.000 0.208 3271 E C 0.784 176.959 176.600 -0.708 0.000 0.997 3271 E CA -0.166 55.870 56.400 -0.608 0.000 0.961 3271 E CB 0.679 30.212 29.700 -0.279 0.000 1.030 3271 E HN 0.317 nan 8.360 nan 0.000 0.483 3272 K N -0.057 120.098 120.400 -0.409 0.000 2.367 3272 K HA 0.179 4.485 4.320 -0.023 0.000 0.198 3272 K C 0.425 176.820 176.600 -0.342 0.000 1.132 3272 K CA 0.604 56.651 56.287 -0.401 0.000 0.941 3272 K CB 0.743 32.930 32.500 -0.522 0.000 1.052 3272 K HN 0.028 nan 8.250 nan 0.000 0.507 3273 Y N -0.825 119.563 120.300 0.146 0.000 2.659 3273 Y HA 0.269 4.805 4.550 -0.023 0.000 0.333 3273 Y C -0.012 176.080 175.900 0.321 0.000 1.064 3273 Y CA -1.313 56.902 58.100 0.191 0.000 1.141 3273 Y CB 1.389 39.879 38.460 0.050 0.000 1.316 3273 Y HN -0.141 nan 8.280 nan 0.000 0.509 3274 C N 2.138 121.686 119.300 0.412 0.000 2.145 3274 C HA 0.611 5.057 4.460 -0.023 0.000 0.374 3274 C C -0.086 175.089 174.990 0.309 0.000 1.035 3274 C CA 0.177 59.386 59.018 0.319 0.000 1.431 3274 C CB -2.109 25.739 27.740 0.181 0.000 1.789 3274 C HN 0.683 nan 8.230 nan 0.000 0.483 3275 T N 4.691 119.466 114.554 0.368 0.000 2.894 3275 T HA 0.774 5.110 4.350 -0.023 0.000 0.309 3275 T C -0.982 174.007 174.700 0.483 0.000 1.208 3275 T CA -0.367 61.971 62.100 0.396 0.000 1.016 3275 T CB 1.180 70.264 68.868 0.360 0.000 1.192 3275 T HN 0.810 nan 8.240 nan 0.000 0.491 3276 F N 1.859 121.963 119.950 0.256 0.000 2.685 3276 F HA 0.696 5.211 4.527 -0.021 0.000 0.315 3276 F C -1.127 174.776 175.800 0.171 0.000 1.126 3276 F CA -1.178 56.952 58.000 0.216 0.000 0.950 3276 F CB 1.485 40.696 39.000 0.352 0.000 1.360 3276 F HN 0.460 nan 8.300 nan 0.000 0.469 3277 N N 1.858 120.556 118.700 -0.003 0.000 2.446 3277 N HA 0.128 4.854 4.740 -0.023 0.000 0.265 3277 N C -0.198 175.240 175.510 -0.121 0.000 0.975 3277 N CA -0.145 52.797 53.050 -0.179 0.000 0.928 3277 N CB 1.522 39.883 38.487 -0.210 0.000 1.160 3277 N HN 0.940 nan 8.380 nan 0.000 0.495 3278 D N 2.686 122.949 120.400 -0.227 0.000 2.123 3278 D HA -0.160 4.466 4.640 -0.023 0.000 0.196 3278 D C 0.735 177.063 176.300 0.047 0.000 0.992 3278 D CA 1.474 55.492 54.000 0.029 0.000 0.833 3278 D CB 0.358 41.117 40.800 -0.068 0.000 0.954 3278 D HN 0.576 nan 8.370 nan 0.000 0.455 3279 D N -0.278 120.105 120.400 -0.030 0.000 2.144 3279 D HA -0.110 4.516 4.640 -0.023 0.000 0.199 3279 D C 2.289 178.543 176.300 -0.076 0.000 0.984 3279 D CA 0.654 54.635 54.000 -0.032 0.000 0.834 3279 D CB 0.149 40.920 40.800 -0.048 0.000 0.955 3279 D HN 0.382 nan 8.370 nan 0.000 0.465 3280 I N 0.775 121.249 120.570 -0.161 0.000 2.201 3280 I HA -0.222 3.934 4.170 -0.023 0.000 0.233 3280 I C 2.548 178.561 176.117 -0.173 0.000 1.067 3280 I CA 0.902 62.074 61.300 -0.213 0.000 1.354 3280 I CB -0.304 37.472 38.000 -0.373 0.000 1.108 3280 I HN -0.160 nan 8.210 nan 0.000 0.411 3281 Q N 0.798 120.445 119.800 -0.256 0.000 2.083 3281 Q HA -0.068 4.258 4.340 -0.023 0.000 0.198 3281 Q C 2.281 177.999 176.000 -0.469 0.000 0.969 3281 Q CA 1.530 57.000 55.803 -0.556 0.000 0.838 3281 Q CB -0.401 27.681 28.738 -1.093 0.000 0.900 3281 Q HN 0.629 nan 8.270 nan 0.000 0.436 3282 G N 0.330 109.081 108.800 -0.082 0.000 2.421 3282 G HA2 -0.258 3.688 3.960 -0.023 0.000 0.216 3282 G HA3 -0.258 3.688 3.960 -0.023 0.000 0.216 3282 G C 1.391 176.393 174.900 0.169 0.000 1.171 3282 G CA 1.407 46.637 45.100 0.216 0.000 0.775 3282 G HN 0.291 nan 8.290 nan 0.000 0.543 3283 T N 1.788 116.409 114.554 0.111 0.000 2.788 3283 T HA 0.039 4.375 4.350 -0.023 0.000 0.268 3283 T C 2.786 177.557 174.700 0.118 0.000 1.044 3283 T CA 1.408 63.577 62.100 0.116 0.000 1.139 3283 T CB -0.369 68.551 68.868 0.087 0.000 0.867 3283 T HN 0.383 nan 8.240 nan 0.000 0.454 3284 A N 1.811 124.670 122.820 0.066 0.000 1.883 3284 A HA 0.055 4.361 4.320 -0.023 0.000 0.217 3284 A C 2.708 180.374 177.584 0.136 0.000 1.186 3284 A CA 2.025 54.113 52.037 0.085 0.000 0.624 3284 A CB -1.282 17.725 19.000 0.011 0.000 0.822 3284 A HN 0.530 nan 8.150 nan 0.000 0.444 3285 A N -0.479 122.431 122.820 0.151 0.000 1.902 3285 A HA -0.025 4.281 4.320 -0.023 0.000 0.217 3285 A C 2.221 179.921 177.584 0.193 0.000 1.181 3285 A CA 2.112 54.269 52.037 0.201 0.000 0.623 3285 A CB -1.039 18.139 19.000 0.297 0.000 0.818 3285 A HN 0.671 nan 8.150 nan 0.000 0.443 3286 V N -0.719 119.309 119.914 0.190 0.000 2.453 3286 V HA -0.108 3.998 4.120 -0.023 0.000 0.247 3286 V C 2.867 179.132 176.094 0.284 0.000 1.048 3286 V CA 1.584 63.998 62.300 0.190 0.000 1.049 3286 V CB -1.606 30.265 31.823 0.080 0.000 0.672 3286 V HN 0.558 nan 8.190 nan 0.000 0.457 3287 A N 0.850 123.826 122.820 0.259 0.000 1.858 3287 A HA -0.172 4.134 4.320 -0.023 0.000 0.216 3287 A C 2.191 179.979 177.584 0.339 0.000 1.190 3287 A CA 2.078 54.327 52.037 0.354 0.000 0.617 3287 A CB -0.701 18.500 19.000 0.334 0.000 0.827 3287 A HN 0.459 nan 8.150 nan 0.000 0.443 3288 L N -0.015 121.348 121.223 0.233 0.000 2.043 3288 L HA -0.147 4.179 4.340 -0.023 0.000 0.212 3288 L C 2.606 179.557 176.870 0.134 0.000 1.075 3288 L CA 2.391 57.329 54.840 0.163 0.000 0.752 3288 L CB -0.837 41.301 42.059 0.131 0.000 0.891 3288 L HN 0.360 nan 8.230 nan 0.000 0.432 3289 A N -0.614 122.297 122.820 0.152 0.000 1.933 3289 A HA -0.063 4.243 4.320 -0.023 0.000 0.218 3289 A C 2.343 179.892 177.584 -0.058 0.000 1.175 3289 A CA 1.534 53.619 52.037 0.079 0.000 0.628 3289 A CB -1.544 17.541 19.000 0.141 0.000 0.814 3289 A HN 0.547 nan 8.150 nan 0.000 0.444 3290 G N -0.688 108.084 108.800 -0.046 0.000 2.408 3290 G HA2 -0.040 3.906 3.960 -0.023 0.000 0.217 3290 G HA3 -0.040 3.906 3.960 -0.023 0.000 0.217 3290 G C 1.328 176.287 174.900 0.099 0.000 1.150 3290 G CA 1.005 45.937 45.100 -0.281 0.000 0.776 3290 G HN 0.348 nan 8.290 nan 0.000 0.542 3291 L N -0.022 121.305 121.223 0.173 0.000 2.156 3291 L HA 0.157 4.483 4.340 -0.023 0.000 0.208 3291 L C 2.571 179.441 176.870 0.000 0.000 1.095 3291 L CA 0.701 55.566 54.840 0.042 0.000 0.770 3291 L CB -0.554 41.502 42.059 -0.006 0.000 0.914 3291 L HN 0.078 nan 8.230 nan 0.000 0.439 3292 L N -0.909 120.314 121.223 0.001 0.000 2.156 3292 L HA -0.028 4.298 4.340 -0.023 0.000 0.208 3292 L C 2.529 179.389 176.870 -0.017 0.000 1.095 3292 L CA 1.768 56.602 54.840 -0.010 0.000 0.770 3292 L CB -1.475 40.582 42.059 -0.002 0.000 0.914 3292 L HN 0.239 nan 8.230 nan 0.000 0.439 3293 A N -1.013 121.778 122.820 -0.048 0.000 1.930 3293 A HA 0.008 4.314 4.320 -0.023 0.000 0.215 3293 A C 2.476 180.054 177.584 -0.010 0.000 1.176 3293 A CA 1.301 53.306 52.037 -0.054 0.000 0.632 3293 A CB -0.631 18.287 19.000 -0.138 0.000 0.819 3293 A HN 0.353 nan 8.150 nan 0.000 0.445 3294 A N -0.474 122.354 122.820 0.012 0.000 1.877 3294 A HA -0.226 4.080 4.320 -0.023 0.000 0.216 3294 A C 2.132 179.744 177.584 0.047 0.000 1.186 3294 A CA 2.135 54.200 52.037 0.047 0.000 0.620 3294 A CB -0.606 18.425 19.000 0.052 0.000 0.822 3294 A HN 0.525 nan 8.150 nan 0.000 0.443 3295 Q N -0.065 119.763 119.800 0.046 0.000 2.297 3295 Q HA -0.178 4.148 4.340 -0.023 0.000 0.208 3295 Q C 1.723 177.754 176.000 0.052 0.000 0.981 3295 Q CA 2.141 57.986 55.803 0.071 0.000 0.876 3295 Q CB -0.380 28.395 28.738 0.062 0.000 0.921 3295 Q HN 0.571 nan 8.270 nan 0.000 0.446 3296 K N -1.021 119.399 120.400 0.034 0.000 2.283 3296 K HA -0.054 4.252 4.320 -0.023 0.000 0.202 3296 K C 1.673 178.292 176.600 0.032 0.000 1.048 3296 K CA 1.087 57.390 56.287 0.028 0.000 0.948 3296 K CB 0.072 32.581 32.500 0.015 0.000 0.742 3296 K HN 0.316 nan 8.250 nan 0.000 0.458 3297 V N -2.579 117.359 119.914 0.040 0.000 3.085 3297 V HA 0.151 4.257 4.120 -0.023 0.000 0.245 3297 V C 1.549 177.669 176.094 0.042 0.000 1.114 3297 V CA 0.574 62.900 62.300 0.044 0.000 1.108 3297 V CB -0.084 31.774 31.823 0.058 0.000 0.798 3297 V HN 0.122 nan 8.190 nan 0.000 0.471 3298 I N 1.171 121.769 120.570 0.046 0.000 2.703 3298 I HA 0.060 4.215 4.170 -0.023 0.000 0.259 3298 I C 1.388 177.522 176.117 0.029 0.000 1.151 3298 I CA 0.911 62.232 61.300 0.036 0.000 1.470 3298 I CB -0.129 37.895 38.000 0.041 0.000 1.112 3298 I HN 0.386 nan 8.210 nan 0.000 0.437 3299 S N 1.896 117.623 115.700 0.046 0.000 3.477 3299 S HA -0.187 4.269 4.470 -0.023 0.000 0.371 3299 S C 0.325 174.942 174.600 0.028 0.000 0.965 3299 S CA 0.609 58.835 58.200 0.043 0.000 1.239 3299 S CB -1.592 61.626 63.200 0.029 0.000 0.918 3299 S HN 0.347 nan 8.310 nan 0.000 0.498 3300 K N 1.298 121.716 120.400 0.030 0.000 2.249 3300 K HA 0.253 4.559 4.320 -0.023 0.000 0.280 3300 K C -2.632 173.946 176.600 -0.037 0.000 1.033 3300 K CA -2.098 54.138 56.287 -0.086 0.000 0.946 3300 K CB 0.549 32.849 32.500 -0.333 0.000 1.005 3300 K HN 0.033 nan 8.250 nan 0.000 0.469 3301 P HA 0.012 nan 4.420 nan 0.000 0.264 3301 P C 0.989 178.314 177.300 0.041 0.000 1.236 3301 P CA 0.127 63.227 63.100 0.000 0.000 0.811 3301 P CB 0.168 31.858 31.700 -0.017 0.000 0.840 3302 I N 3.733 124.396 120.570 0.156 0.000 2.188 3302 I HA -0.462 3.694 4.170 -0.023 0.000 0.246 3302 I C 2.018 178.253 176.117 0.196 0.000 1.033 3302 I CA 2.648 64.104 61.300 0.259 0.000 1.307 3302 I CB -0.126 37.959 38.000 0.142 0.000 1.005 3302 I HN 0.378 nan 8.210 nan 0.000 0.421 3303 S N -0.221 115.536 115.700 0.095 0.000 2.419 3303 S HA -0.213 4.243 4.470 -0.023 0.000 0.233 3303 S C 1.704 176.336 174.600 0.053 0.000 1.016 3303 S CA 1.470 59.710 58.200 0.067 0.000 0.974 3303 S CB -0.605 62.618 63.200 0.038 0.000 0.786 3303 S HN 0.679 nan 8.310 nan 0.000 0.492 3304 E N 0.268 120.473 120.200 0.008 0.000 2.299 3304 E HA 0.019 4.355 4.350 -0.023 0.000 0.193 3304 E C -0.098 176.474 176.600 -0.047 0.000 0.998 3304 E CA 0.093 56.467 56.400 -0.044 0.000 0.851 3304 E CB -0.220 29.414 29.700 -0.110 0.000 0.795 3304 E HN 0.721 nan 8.360 nan 0.000 0.492 3305 H N 1.449 120.536 119.070 0.029 0.000 3.094 3305 H HA 0.033 4.575 4.556 -0.023 0.000 0.320 3305 H C -0.005 175.359 175.328 0.060 0.000 1.000 3305 H CA 0.815 56.882 56.048 0.031 0.000 1.413 3305 H CB 0.362 30.143 29.762 0.031 0.000 1.405 3305 H HN -0.133 nan 8.280 nan 0.000 0.586 3306 K N 3.525 124.030 120.400 0.174 0.000 2.637 3306 K HA 0.382 4.688 4.320 -0.023 0.000 0.248 3306 K C -1.850 174.844 176.600 0.156 0.000 0.971 3306 K CA -0.415 55.983 56.287 0.184 0.000 0.858 3306 K CB 0.661 33.242 32.500 0.135 0.000 1.170 3306 K HN 0.422 nan 8.250 nan 0.000 0.443 3307 I N 4.712 125.403 120.570 0.201 0.000 2.378 3307 I HA 0.373 4.529 4.170 -0.023 0.000 0.291 3307 I C -1.114 175.123 176.117 0.199 0.000 0.992 3307 I CA -0.860 60.505 61.300 0.108 0.000 1.154 3307 I CB 1.634 39.660 38.000 0.044 0.000 1.315 3307 I HN 0.507 nan 8.210 nan 0.000 0.448 3308 L N 7.354 128.638 121.223 0.101 0.000 2.325 3308 L HA 0.594 4.920 4.340 -0.023 0.000 0.281 3308 L C -1.329 175.682 176.870 0.235 0.000 1.004 3308 L CA 0.012 54.993 54.840 0.236 0.000 0.823 3308 L CB 0.646 42.778 42.059 0.120 0.000 1.236 3308 L HN 0.268 nan 8.230 nan 0.000 0.415 3309 F N 4.836 124.992 119.950 0.343 0.000 2.394 3309 F HA 0.446 4.959 4.527 -0.024 0.000 0.340 3309 F C -0.066 175.968 175.800 0.390 0.000 1.105 3309 F CA -0.325 57.858 58.000 0.305 0.000 1.124 3309 F CB 1.643 40.753 39.000 0.184 0.000 1.145 3309 F HN 0.360 nan 8.300 nan 0.000 0.505 3310 L N 3.983 125.459 121.223 0.422 0.000 2.287 3310 L HA 0.744 5.070 4.340 -0.023 0.000 0.280 3310 L C -0.114 176.849 176.870 0.155 0.000 1.055 3310 L CA 0.209 55.106 54.840 0.096 0.000 0.863 3310 L CB -0.111 41.706 42.059 -0.403 0.000 1.245 3310 L HN 0.699 nan 8.230 nan 0.000 0.432 3311 G N 3.421 112.363 108.800 0.237 0.000 2.525 3311 G HA2 0.402 4.348 3.960 -0.023 0.000 0.685 3311 G HA3 0.402 4.348 3.960 -0.023 0.000 0.685 3311 G C -0.584 174.396 174.900 0.134 0.000 1.285 3311 G CA -0.368 44.819 45.100 0.146 0.000 0.849 3311 G HN 1.267 nan 8.290 nan 0.000 0.653 3312 A N 0.288 123.144 122.820 0.060 0.000 2.676 3312 A HA 0.812 5.118 4.320 -0.023 0.000 0.258 3312 A C 1.038 178.612 177.584 -0.017 0.000 0.898 3312 A CA 1.086 53.118 52.037 -0.008 0.000 1.087 3312 A CB -0.085 18.935 19.000 0.034 0.000 1.214 3312 A HN 2.200 nan 8.150 nan 0.000 0.474 3313 G N -0.491 108.315 108.800 0.011 0.000 2.773 3313 G HA2 0.393 4.338 3.960 -0.023 0.000 0.186 3313 G HA3 0.393 4.338 3.960 -0.023 0.000 0.186 3313 G C 0.618 175.612 174.900 0.156 0.000 1.411 3313 G CA 0.241 45.388 45.100 0.079 0.000 1.054 3313 G HN 0.312 nan 8.290 nan 0.000 0.579 3314 E N -0.219 120.092 120.200 0.185 0.000 2.033 3314 E HA -0.209 4.127 4.350 -0.023 0.000 0.199 3314 E C 2.822 179.408 176.600 -0.023 0.000 1.011 3314 E CA 1.478 57.895 56.400 0.030 0.000 0.815 3314 E CB -0.271 29.338 29.700 -0.153 0.000 0.755 3314 E HN 0.378 nan 8.360 nan 0.000 0.451 3315 A N 1.439 124.249 122.820 -0.017 0.000 1.858 3315 A HA -0.141 4.165 4.320 -0.023 0.000 0.216 3315 A C 2.437 179.995 177.584 -0.044 0.000 1.190 3315 A CA 1.934 53.968 52.037 -0.005 0.000 0.617 3315 A CB -0.981 18.042 19.000 0.039 0.000 0.827 3315 A HN 0.310 nan 8.150 nan 0.000 0.443 3316 A N -0.264 122.488 122.820 -0.114 0.000 1.873 3316 A HA -0.162 4.144 4.320 -0.023 0.000 0.218 3316 A C 2.201 179.388 177.584 -0.663 0.000 1.193 3316 A CA 1.807 53.541 52.037 -0.505 0.000 0.629 3316 A CB -0.810 17.930 19.000 -0.435 0.000 0.826 3316 A HN 0.492 nan 8.150 nan 0.000 0.447 3317 L N -0.864 120.169 121.223 -0.317 0.000 2.141 3317 L HA -0.093 4.232 4.340 -0.023 0.000 0.209 3317 L C 2.772 179.577 176.870 -0.108 0.000 1.094 3317 L CA 0.874 55.581 54.840 -0.222 0.000 0.763 3317 L CB -0.631 41.426 42.059 -0.004 0.000 0.908 3317 L HN 0.526 nan 8.230 nan 0.000 0.437 3318 G N 0.313 109.080 108.800 -0.055 0.000 2.404 3318 G HA2 -0.180 3.766 3.960 -0.023 0.000 0.214 3318 G HA3 -0.180 3.766 3.960 -0.023 0.000 0.214 3318 G C 1.566 176.460 174.900 -0.009 0.000 1.189 3318 G CA 0.525 45.611 45.100 -0.024 0.000 0.789 3318 G HN 0.253 nan 8.290 nan 0.000 0.533 3319 I N 1.664 122.237 120.570 0.005 0.000 2.151 3319 I HA -0.249 3.907 4.170 -0.023 0.000 0.243 3319 I C 3.301 179.488 176.117 0.116 0.000 1.080 3319 I CA 1.149 62.525 61.300 0.127 0.000 1.339 3319 I CB -0.273 37.918 38.000 0.319 0.000 1.039 3319 I HN 0.242 nan 8.210 nan 0.000 0.409 3320 A N 0.656 123.436 122.820 -0.067 0.000 1.933 3320 A HA -0.217 4.089 4.320 -0.023 0.000 0.218 3320 A C 2.123 179.721 177.584 0.022 0.000 1.175 3320 A CA 1.835 53.784 52.037 -0.146 0.000 0.628 3320 A CB -0.727 17.800 19.000 -0.788 0.000 0.814 3320 A HN 0.473 nan 8.150 nan 0.000 0.444 3321 N N -0.674 118.070 118.700 0.073 0.000 2.270 3321 N HA -0.063 4.663 4.740 -0.023 0.000 0.181 3321 N C 1.549 177.156 175.510 0.161 0.000 1.016 3321 N CA 1.127 54.297 53.050 0.200 0.000 0.870 3321 N CB -0.131 38.466 38.487 0.183 0.000 0.979 3321 N HN 0.383 nan 8.380 nan 0.000 0.431 3322 L N 1.061 122.358 121.223 0.124 0.000 2.179 3322 L HA 0.065 4.391 4.340 -0.023 0.000 0.208 3322 L C 2.165 179.106 176.870 0.118 0.000 1.096 3322 L CA 0.532 55.443 54.840 0.119 0.000 0.779 3322 L CB -0.124 42.002 42.059 0.112 0.000 0.922 3322 L HN 0.089 nan 8.230 nan 0.000 0.443 3323 I N -1.351 119.297 120.570 0.130 0.000 2.179 3323 I HA -0.235 3.921 4.170 -0.023 0.000 0.242 3323 I C 1.255 177.442 176.117 0.117 0.000 1.088 3323 I CA 0.477 61.847 61.300 0.115 0.000 1.357 3323 I CB -0.159 37.924 38.000 0.138 0.000 1.051 3323 I HN -0.088 nan 8.210 nan 0.000 0.409 3329 E N 0.804 121.031 120.200 0.045 0.000 2.511 3329 E HA -0.011 4.325 4.350 -0.023 0.000 0.196 3329 E C 0.953 177.575 176.600 0.038 0.000 1.066 3329 E CA 1.104 57.530 56.400 0.043 0.000 0.871 3329 E CB -0.051 29.678 29.700 0.049 0.000 0.863 3329 E HN 0.681 nan 8.360 nan 0.000 0.520 3330 N N -0.432 118.289 118.700 0.036 0.000 2.177 3330 N HA 0.115 4.841 4.740 -0.023 0.000 0.218 3330 N C 0.554 176.084 175.510 0.033 0.000 1.182 3330 N CA 0.634 53.704 53.050 0.033 0.000 0.882 3330 N CB 1.603 40.108 38.487 0.030 0.000 1.052 3330 N HN 0.394 nan 8.380 nan 0.000 0.519 3331 G N 0.443 109.263 108.800 0.033 0.000 2.617 3331 G HA2 -0.182 3.764 3.960 -0.023 0.000 0.197 3331 G HA3 -0.182 3.764 3.960 -0.023 0.000 0.197 3331 G C -0.105 174.813 174.900 0.029 0.000 1.017 3331 G CA -0.508 44.611 45.100 0.030 0.000 0.713 3331 G HN 0.072 nan 8.290 nan 0.000 0.481 3332 L N 1.923 123.167 121.223 0.034 0.000 2.474 3332 L HA 0.653 4.979 4.340 -0.023 0.000 0.259 3332 L C 1.383 178.268 176.870 0.026 0.000 1.232 3332 L CA 0.840 55.699 54.840 0.032 0.000 0.821 3332 L CB 1.140 43.223 42.059 0.040 0.000 1.108 3332 L HN 0.466 nan 8.230 nan 0.000 0.495 3333 S N -0.705 115.006 115.700 0.018 0.000 2.713 3333 S HA 0.233 4.689 4.470 -0.023 0.000 0.283 3333 S C 0.958 175.564 174.600 0.010 0.000 1.161 3333 S CA -0.164 58.042 58.200 0.010 0.000 0.999 3333 S CB 0.887 64.087 63.200 -0.000 0.000 1.039 3333 S HN 0.666 nan 8.310 nan 0.000 0.548 3334 E N 0.704 120.906 120.200 0.003 0.000 2.031 3334 E HA -0.223 4.113 4.350 -0.023 0.000 0.193 3334 E C 1.996 178.578 176.600 -0.030 0.000 0.994 3334 E CA 1.491 57.890 56.400 -0.002 0.000 0.800 3334 E CB -0.315 29.379 29.700 -0.010 0.000 0.752 3334 E HN 0.795 nan 8.360 nan 0.000 0.447 3335 Q N 0.391 120.164 119.800 -0.045 0.000 2.084 3335 Q HA -0.261 4.065 4.340 -0.023 0.000 0.202 3335 Q C 2.104 178.068 176.000 -0.061 0.000 0.978 3335 Q CA 1.945 57.706 55.803 -0.069 0.000 0.844 3335 Q CB -0.124 28.578 28.738 -0.061 0.000 0.898 3335 Q HN 0.409 nan 8.270 nan 0.000 0.426 3336 E N -0.670 119.510 120.200 -0.034 0.000 2.268 3336 E HA -0.147 4.189 4.350 -0.023 0.000 0.195 3336 E C 1.517 178.115 176.600 -0.003 0.000 0.995 3336 E CA 0.913 57.299 56.400 -0.023 0.000 0.836 3336 E CB -0.025 29.672 29.700 -0.006 0.000 0.763 3336 E HN 0.399 nan 8.360 nan 0.000 0.491 3337 A N 0.904 123.733 122.820 0.015 0.000 1.887 3337 A HA -0.082 4.223 4.320 -0.023 0.000 0.212 3337 A C 2.029 179.672 177.584 0.098 0.000 1.198 3337 A CA 0.905 52.979 52.037 0.062 0.000 0.628 3337 A CB -0.313 18.733 19.000 0.078 0.000 0.847 3337 A HN 0.307 nan 8.150 nan 0.000 0.449 3338 Q N -0.217 119.614 119.800 0.051 0.000 2.439 3338 Q HA -0.119 4.207 4.340 -0.023 0.000 0.211 3338 Q C 1.180 177.227 176.000 0.078 0.000 0.978 3338 Q CA 0.971 56.805 55.803 0.051 0.000 0.897 3338 Q CB -0.093 28.423 28.738 -0.370 0.000 0.956 3338 Q HN 0.278 nan 8.270 nan 0.000 0.483 3339 K N 0.711 121.063 120.400 -0.081 0.000 2.365 3339 K HA 0.022 4.328 4.320 -0.023 0.000 0.197 3339 K C 1.158 177.629 176.600 -0.215 0.000 1.042 3339 K CA 0.725 56.797 56.287 -0.357 0.000 0.987 3339 K CB 0.264 32.587 32.500 -0.295 0.000 0.779 3339 K HN 0.104 nan 8.250 nan 0.000 0.484 3340 K N 0.114 120.531 120.400 0.028 0.000 2.444 3340 K HA 0.199 4.505 4.320 -0.023 0.000 0.193 3340 K C 0.024 176.774 176.600 0.249 0.000 1.024 3340 K CA 0.159 56.532 56.287 0.143 0.000 1.077 3340 K CB 0.302 32.895 32.500 0.155 0.000 0.833 3340 K HN 0.017 nan 8.250 nan 0.000 0.517 3341 I N 0.601 121.336 120.570 0.275 0.000 2.378 3341 I HA 0.249 4.405 4.170 -0.023 0.000 0.291 3341 I C -0.728 175.629 176.117 0.400 0.000 0.992 3341 I CA -0.838 60.702 61.300 0.400 0.000 1.154 3341 I CB 0.962 39.235 38.000 0.454 0.000 1.315 3341 I HN -0.043 nan 8.210 nan 0.000 0.448 3345 D N 4.534 125.024 120.400 0.149 0.000 2.539 3345 D HA 0.191 4.817 4.640 -0.023 0.000 0.280 3345 D C 0.993 177.290 176.300 -0.004 0.000 1.208 3345 D CA -0.252 53.812 54.000 0.107 0.000 1.088 3345 D CB 0.479 41.309 40.800 0.051 0.000 1.149 3345 D HN 0.589 nan 8.370 nan 0.000 0.596 3346 K N -0.863 119.453 120.400 -0.139 0.000 2.360 3346 K HA -0.166 4.140 4.320 -0.023 0.000 0.201 3346 K C 1.244 177.615 176.600 -0.383 0.000 1.046 3346 K CA 1.142 57.269 56.287 -0.267 0.000 0.945 3346 K CB -0.525 31.718 32.500 -0.428 0.000 0.750 3346 K HN 0.475 nan 8.250 nan 0.000 0.464 3347 Y N 0.847 121.104 120.300 -0.073 0.000 2.478 3347 Y HA 0.203 4.739 4.550 -0.024 0.000 0.261 3347 Y C 1.250 177.008 175.900 -0.235 0.000 1.127 3347 Y CA 0.027 58.065 58.100 -0.104 0.000 1.288 3347 Y CB 1.209 39.622 38.460 -0.077 0.000 1.084 3347 Y HN 0.393 nan 8.280 nan 0.000 0.530 3348 G N 0.462 109.006 108.800 -0.425 0.000 2.362 3348 G HA2 -0.129 3.817 3.960 -0.023 0.000 0.517 3348 G HA3 -0.129 3.817 3.960 -0.023 0.000 0.517 3348 G C -1.585 172.745 174.900 -0.950 0.000 1.256 3348 G CA -1.048 43.417 45.100 -1.058 0.000 1.027 3348 G HN 0.004 nan 8.290 nan 0.000 0.491 3349 L N 0.565 121.378 121.223 -0.684 0.000 2.490 3349 L HA 0.451 4.777 4.340 -0.023 0.000 0.274 3349 L C 0.880 177.773 176.870 0.038 0.000 1.201 3349 L CA -0.201 54.595 54.840 -0.073 0.000 0.869 3349 L CB 0.265 42.414 42.059 0.150 0.000 1.123 3349 L HN 0.472 nan 8.230 nan 0.000 0.484 3350 L N 7.027 128.341 121.223 0.151 0.000 2.342 3350 L HA 0.321 4.647 4.340 -0.023 0.000 0.285 3350 L C -0.189 176.775 176.870 0.156 0.000 1.095 3350 L CA -0.339 54.571 54.840 0.117 0.000 0.843 3350 L CB 0.316 42.434 42.059 0.099 0.000 1.201 3350 L HN 0.546 nan 8.230 nan 0.000 0.445 3351 V N 1.049 121.033 119.914 0.117 0.000 3.040 3351 V HA 0.530 4.636 4.120 -0.023 0.000 0.312 3351 V C -0.172 175.962 176.094 0.067 0.000 1.115 3351 V CA -1.465 60.920 62.300 0.142 0.000 0.998 3351 V CB 2.126 34.056 31.823 0.179 0.000 1.042 3351 V HN 0.525 nan 8.190 nan 0.000 0.433 3352 K N 1.644 122.083 120.400 0.064 0.000 2.451 3352 K HA 0.515 4.821 4.320 -0.023 0.000 0.280 3352 K C 1.143 177.759 176.600 0.025 0.000 1.020 3352 K CA 1.469 57.774 56.287 0.030 0.000 1.008 3352 K CB 0.420 32.940 32.500 0.033 0.000 0.917 3352 K HN 1.660 nan 8.250 nan 0.000 0.478 3353 G N 2.337 111.140 108.800 0.006 0.000 2.179 3353 G HA2 -0.360 3.586 3.960 -0.023 0.000 0.260 3353 G HA3 -0.360 3.586 3.960 -0.023 0.000 0.260 3353 G C -0.037 174.860 174.900 -0.006 0.000 0.977 3353 G CA 0.555 45.655 45.100 -0.001 0.000 0.641 3353 G HN 0.682 nan 8.290 nan 0.000 0.533 3354 R N -0.244 120.254 120.500 -0.004 0.000 2.694 3354 R HA 0.645 4.971 4.340 -0.023 0.000 0.268 3354 R C 1.437 177.712 176.300 -0.043 0.000 1.061 3354 R CA 0.365 56.456 56.100 -0.015 0.000 1.133 3354 R CB 0.610 30.906 30.300 -0.006 0.000 1.020 3354 R HN 0.057 nan 8.270 nan 0.000 0.475 3355 K N 2.490 122.856 120.400 -0.058 0.000 2.026 3355 K HA -0.037 4.269 4.320 -0.023 0.000 0.208 3355 K C 0.362 176.876 176.600 -0.142 0.000 1.048 3355 K CA 1.604 57.838 56.287 -0.089 0.000 0.929 3355 K CB -0.434 32.013 32.500 -0.089 0.000 0.713 3355 K HN 0.758 nan 8.250 nan 0.000 0.439 3356 A N 2.079 124.783 122.820 -0.194 0.000 2.567 3356 A HA 0.008 4.314 4.320 -0.023 0.000 0.240 3356 A C -0.528 176.955 177.584 -0.168 0.000 1.053 3356 A CA 0.186 52.033 52.037 -0.316 0.000 0.755 3356 A CB -0.149 18.640 19.000 -0.350 0.000 0.978 3356 A HN 0.338 nan 8.150 nan 0.000 0.507 3357 K N 0.899 121.200 120.400 -0.165 0.000 2.440 3357 K HA 0.251 4.557 4.320 -0.023 0.000 0.270 3357 K C -0.735 175.839 176.600 -0.042 0.000 0.980 3357 K CA 0.717 56.951 56.287 -0.088 0.000 0.953 3357 K CB 0.387 32.839 32.500 -0.080 0.000 0.925 3357 K HN 0.601 nan 8.250 nan 0.000 0.497 3358 I N 2.386 122.936 120.570 -0.035 0.000 2.478 3358 I HA 0.045 4.200 4.170 -0.023 0.000 0.287 3358 I C -0.496 175.604 176.117 -0.028 0.000 1.042 3358 I CA -0.754 60.534 61.300 -0.019 0.000 1.067 3358 I CB 1.721 39.708 38.000 -0.021 0.000 1.233 3358 I HN 0.716 nan 8.210 nan 0.000 0.431 3359 D N 3.663 124.052 120.400 -0.018 0.000 2.411 3359 D HA 0.123 4.749 4.640 -0.023 0.000 0.251 3359 D C 1.250 177.515 176.300 -0.058 0.000 1.201 3359 D CA -0.295 53.691 54.000 -0.025 0.000 0.996 3359 D CB 0.844 41.650 40.800 0.011 0.000 1.101 3359 D HN 0.458 nan 8.370 nan 0.000 0.504 3360 S N -0.367 115.254 115.700 -0.133 0.000 2.374 3360 S HA -0.309 4.147 4.470 -0.023 0.000 0.227 3360 S C 1.915 176.343 174.600 -0.287 0.000 1.037 3360 S CA 1.045 59.088 58.200 -0.261 0.000 1.024 3360 S CB -1.204 61.744 63.200 -0.419 0.000 0.861 3360 S HN 0.605 nan 8.310 nan 0.000 0.456 3361 Y N 1.966 122.182 120.300 -0.140 0.000 2.439 3361 Y HA 0.088 4.623 4.550 -0.024 0.000 0.292 3361 Y C 2.842 178.733 175.900 -0.015 0.000 1.130 3361 Y CA 0.954 58.987 58.100 -0.113 0.000 1.254 3361 Y CB -0.488 37.797 38.460 -0.293 0.000 1.000 3361 Y HN 0.353 nan 8.280 nan 0.000 0.554 3362 Q N -0.478 119.377 119.800 0.093 0.000 2.302 3362 Q HA -0.115 4.211 4.340 -0.023 0.000 0.202 3362 Q C 2.035 178.065 176.000 0.049 0.000 0.936 3362 Q CA 0.384 56.249 55.803 0.103 0.000 0.886 3362 Q CB 0.075 28.840 28.738 0.044 0.000 0.986 3362 Q HN 0.277 nan 8.270 nan 0.000 0.487 3363 E N 0.820 121.001 120.200 -0.033 0.000 2.086 3363 E HA -0.199 4.137 4.350 -0.023 0.000 0.205 3363 E C -0.822 175.681 176.600 -0.163 0.000 1.027 3363 E CA 1.693 58.038 56.400 -0.091 0.000 0.830 3363 E CB -1.218 28.420 29.700 -0.103 0.000 0.751 3363 E HN 0.255 nan 8.360 nan 0.000 0.456 3364 P HA -0.139 nan 4.420 nan 0.000 0.222 3364 P C 0.541 177.392 177.300 -0.747 0.000 1.142 3364 P CA 1.243 64.033 63.100 -0.517 0.000 0.788 3364 P CB -0.212 31.071 31.700 -0.694 0.000 0.767 3365 F N -3.143 116.701 119.950 -0.177 0.000 2.724 3365 F HA 0.212 4.725 4.527 -0.024 0.000 0.310 3365 F C 0.563 175.876 175.800 -0.813 0.000 1.107 3365 F CA -0.155 57.618 58.000 -0.378 0.000 1.218 3365 F CB -0.224 38.686 39.000 -0.151 0.000 1.042 3365 F HN -0.391 nan 8.300 nan 0.000 0.540 3366 T N 2.100 116.381 114.554 -0.455 0.000 2.762 3366 T HA 0.261 4.597 4.350 -0.023 0.000 0.303 3366 T C -0.180 174.280 174.700 -0.400 0.000 0.977 3366 T CA -0.240 61.651 62.100 -0.348 0.000 0.961 3366 T CB -0.008 68.784 68.868 -0.126 0.000 0.944 3366 T HN 0.081 nan 8.240 nan 0.000 0.481 3367 H N 0.777 119.754 119.070 -0.154 0.000 2.559 3367 H HA 0.430 4.972 4.556 -0.024 0.000 0.343 3367 H C 0.357 175.700 175.328 0.024 0.000 1.209 3367 H CA -1.156 54.780 56.048 -0.187 0.000 1.287 3367 H CB 0.760 30.179 29.762 -0.573 0.000 1.650 3367 H HN 0.381 nan 8.280 nan 0.000 0.567 3368 S N 0.673 116.484 115.700 0.185 0.000 2.525 3368 S HA 0.246 4.702 4.470 -0.023 0.000 0.285 3368 S C 0.662 175.428 174.600 0.276 0.000 1.283 3368 S CA -0.502 57.800 58.200 0.169 0.000 1.072 3368 S CB 0.156 63.426 63.200 0.117 0.000 0.867 3368 S HN 0.744 nan 8.310 nan 0.000 0.492 3369 A N 5.477 128.434 122.820 0.229 0.000 2.586 3369 A HA 0.330 4.636 4.320 -0.023 0.000 0.231 3369 A C -1.631 176.071 177.584 0.197 0.000 1.055 3369 A CA -0.633 51.544 52.037 0.234 0.000 0.756 3369 A CB -0.669 18.413 19.000 0.137 0.000 0.988 3369 A HN 0.560 nan 8.150 nan 0.000 0.509 3370 P HA 0.328 nan 4.420 nan 0.000 0.293 3370 P C 0.361 177.683 177.300 0.036 0.000 1.304 3370 P CA -0.438 62.701 63.100 0.065 0.000 0.767 3370 P CB 0.322 31.983 31.700 -0.065 0.000 1.247 3371 E N -0.442 119.766 120.200 0.014 0.000 2.086 3371 E HA -0.146 4.190 4.350 -0.023 0.000 0.205 3371 E C 0.418 177.021 176.600 0.006 0.000 1.027 3371 E CA 1.759 58.164 56.400 0.009 0.000 0.830 3371 E CB -0.825 28.872 29.700 -0.003 0.000 0.751 3371 E HN 0.515 nan 8.360 nan 0.000 0.456 3372 S N -0.255 115.440 115.700 -0.008 0.000 2.532 3372 S HA 0.560 5.016 4.470 -0.023 0.000 0.299 3372 S C -0.526 174.071 174.600 -0.005 0.000 1.105 3372 S CA -1.046 57.152 58.200 -0.004 0.000 1.018 3372 S CB 1.460 64.653 63.200 -0.011 0.000 1.021 3372 S HN -0.030 nan 8.310 nan 0.000 0.483 3373 I N 4.339 124.918 120.570 0.015 0.000 2.379 3373 I HA 0.318 4.474 4.170 -0.023 0.000 0.290 3373 I C -1.840 174.303 176.117 0.043 0.000 1.063 3373 I CA -2.168 59.150 61.300 0.030 0.000 1.351 3373 I CB 0.132 38.157 38.000 0.040 0.000 1.410 3373 I HN 0.513 nan 8.210 nan 0.000 0.505 3374 P HA 0.065 nan 4.420 nan 0.000 0.268 3374 P C -0.028 177.387 177.300 0.190 0.000 1.204 3374 P CA 0.019 63.181 63.100 0.103 0.000 0.768 3374 P CB 1.215 32.979 31.700 0.107 0.000 0.842 3375 D N 1.656 122.151 120.400 0.158 0.000 2.259 3375 D HA -0.045 4.581 4.640 -0.023 0.000 0.216 3375 D C 0.501 176.980 176.300 0.299 0.000 0.961 3375 D CA 0.889 54.998 54.000 0.181 0.000 0.878 3375 D CB 0.315 41.180 40.800 0.109 0.000 1.009 3375 D HN 0.485 nan 8.370 nan 0.000 0.490 3376 T N -3.476 111.212 114.554 0.222 0.000 2.950 3376 T HA 0.221 4.557 4.350 -0.023 0.000 0.288 3376 T C 0.717 175.396 174.700 -0.035 0.000 1.035 3376 T CA -0.826 61.387 62.100 0.188 0.000 1.028 3376 T CB 0.984 69.908 68.868 0.093 0.000 1.109 3376 T HN -0.023 nan 8.240 nan 0.000 0.514 3377 F N 0.592 120.289 119.950 -0.421 0.000 2.216 3377 F HA 0.018 4.531 4.527 -0.024 0.000 0.300 3377 F C 2.424 178.019 175.800 -0.342 0.000 1.085 3377 F CA 1.725 59.281 58.000 -0.741 0.000 1.326 3377 F CB -0.236 38.433 39.000 -0.552 0.000 1.027 3377 F HN 0.888 nan 8.300 nan 0.000 0.497 3378 E N -0.111 119.995 120.200 -0.156 0.000 2.110 3378 E HA -0.229 4.107 4.350 -0.023 0.000 0.193 3378 E C 1.718 178.191 176.600 -0.212 0.000 0.988 3378 E CA 1.531 57.832 56.400 -0.164 0.000 0.804 3378 E CB -0.109 29.557 29.700 -0.057 0.000 0.745 3378 E HN 0.392 nan 8.360 nan 0.000 0.458 3379 D N 0.180 120.486 120.400 -0.157 0.000 2.097 3379 D HA -0.137 4.489 4.640 -0.023 0.000 0.195 3379 D C 1.816 178.000 176.300 -0.192 0.000 0.989 3379 D CA 1.319 55.246 54.000 -0.121 0.000 0.827 3379 D CB -0.381 40.400 40.800 -0.031 0.000 0.966 3379 D HN 0.251 nan 8.370 nan 0.000 0.456 3380 A N 0.613 123.271 122.820 -0.271 0.000 2.024 3380 A HA -0.125 4.181 4.320 -0.023 0.000 0.220 3380 A C 2.479 179.800 177.584 -0.438 0.000 1.164 3380 A CA 1.048 52.891 52.037 -0.324 0.000 0.643 3380 A CB -0.530 18.263 19.000 -0.345 0.000 0.806 3380 A HN 0.153 nan 8.150 nan 0.000 0.451 3381 V N 0.564 120.167 119.914 -0.518 0.000 2.346 3381 V HA -0.168 3.938 4.120 -0.023 0.000 0.244 3381 V C 2.095 178.024 176.094 -0.276 0.000 1.037 3381 V CA 1.845 63.887 62.300 -0.430 0.000 1.029 3381 V CB -0.706 30.857 31.823 -0.433 0.000 0.663 3381 V HN 0.561 nan 8.190 nan 0.000 0.454 3382 N N -0.137 118.426 118.700 -0.228 0.000 2.381 3382 N HA 0.021 4.747 4.740 -0.023 0.000 0.182 3382 N C 1.656 177.076 175.510 -0.151 0.000 1.025 3382 N CA 1.202 54.155 53.050 -0.162 0.000 0.888 3382 N CB 0.118 38.529 38.487 -0.126 0.000 0.965 3382 N HN 0.454 nan 8.380 nan 0.000 0.438 3383 I N -0.230 120.233 120.570 -0.179 0.000 2.556 3383 I HA -0.103 4.053 4.170 -0.023 0.000 0.251 3383 I C 1.425 177.415 176.117 -0.211 0.000 1.105 3383 I CA 0.400 61.599 61.300 -0.168 0.000 1.436 3383 I CB 0.144 38.047 38.000 -0.162 0.000 1.139 3383 I HN -0.043 nan 8.210 nan 0.000 0.438 3384 L N 0.634 121.681 121.223 -0.293 0.000 2.270 3384 L HA 0.044 4.370 4.340 -0.023 0.000 0.210 3384 L C 0.741 177.478 176.870 -0.221 0.000 1.104 3384 L CA 0.873 55.499 54.840 -0.355 0.000 0.804 3384 L CB -0.795 40.934 42.059 -0.549 0.000 0.937 3384 L HN 0.169 nan 8.230 nan 0.000 0.450 3385 K N -0.043 120.240 120.400 -0.195 0.000 3.419 3385 K HA -0.148 4.158 4.320 -0.023 0.000 0.272 3385 K C -2.184 174.347 176.600 -0.116 0.000 0.973 3385 K CA 0.058 56.259 56.287 -0.142 0.000 0.749 3385 K CB -1.502 30.935 32.500 -0.105 0.000 1.403 3385 K HN 0.277 nan 8.250 nan 0.000 0.456 3386 P HA -0.007 nan 4.420 nan 0.000 0.272 3386 P C 0.660 177.916 177.300 -0.073 0.000 1.230 3386 P CA -0.049 63.005 63.100 -0.077 0.000 0.788 3386 P CB 1.052 32.701 31.700 -0.085 0.000 0.949 3387 S N -0.553 115.122 115.700 -0.042 0.000 2.470 3387 S HA 0.093 4.549 4.470 -0.023 0.000 0.222 3387 S C 0.681 175.243 174.600 -0.064 0.000 1.024 3387 S CA 0.401 58.571 58.200 -0.051 0.000 0.931 3387 S CB -0.391 62.787 63.200 -0.037 0.000 0.791 3387 S HN 0.505 nan 8.310 nan 0.000 0.513 3388 T N 2.062 116.574 114.554 -0.070 0.000 2.876 3388 T HA 0.698 5.034 4.350 -0.023 0.000 0.289 3388 T C -1.548 173.061 174.700 -0.150 0.000 1.014 3388 T CA -0.376 61.640 62.100 -0.141 0.000 0.986 3388 T CB 1.877 70.637 68.868 -0.181 0.000 1.021 3388 T HN 0.118 nan 8.240 nan 0.000 0.458 3389 I N 2.722 123.191 120.570 -0.170 0.000 2.466 3389 I HA 0.559 4.715 4.170 -0.023 0.000 0.289 3389 I C -1.247 174.875 176.117 0.009 0.000 1.026 3389 I CA -0.912 60.335 61.300 -0.087 0.000 1.078 3389 I CB 1.390 39.266 38.000 -0.208 0.000 1.249 3389 I HN 0.595 nan 8.210 nan 0.000 0.429 3390 I N 6.729 127.330 120.570 0.051 0.000 2.448 3390 I HA 0.430 4.586 4.170 -0.023 0.000 0.281 3390 I C 0.400 176.689 176.117 0.286 0.000 1.027 3390 I CA -0.500 60.864 61.300 0.106 0.000 1.111 3390 I CB 1.726 39.526 38.000 -0.333 0.000 1.236 3390 I HN 0.669 nan 8.210 nan 0.000 0.452 3391 G N 4.519 113.469 108.800 0.251 0.000 2.349 3391 G HA2 0.429 4.375 3.960 -0.023 0.000 0.281 3391 G HA3 0.429 4.375 3.960 -0.023 0.000 0.281 3391 G C -0.257 174.612 174.900 -0.051 0.000 1.182 3391 G CA -0.102 44.872 45.100 -0.210 0.000 0.899 3391 G HN 0.434 nan 8.290 nan 0.000 0.455 3392 V N 2.267 122.180 119.914 -0.001 0.000 3.301 3392 V HA 0.464 4.570 4.120 -0.023 0.000 0.477 3392 V C 0.863 176.963 176.094 0.009 0.000 1.564 3392 V CA 0.478 62.805 62.300 0.045 0.000 1.946 3392 V CB 0.233 32.158 31.823 0.170 0.000 1.281 3392 V HN 0.915 nan 8.190 nan 0.000 0.655 3393 A N 0.329 123.112 122.820 -0.062 0.000 2.085 3393 A HA 0.581 4.887 4.320 -0.023 0.000 0.208 3393 A C 1.844 179.392 177.584 -0.060 0.000 1.191 3393 A CA 0.814 52.817 52.037 -0.056 0.000 0.799 3393 A CB -0.044 18.902 19.000 -0.090 0.000 0.877 3393 A HN 1.818 nan 8.150 nan 0.000 0.473 3394 G N -1.081 107.672 108.800 -0.079 0.000 2.273 3394 G HA2 0.013 3.959 3.960 -0.023 0.000 0.280 3394 G HA3 0.013 3.959 3.960 -0.023 0.000 0.280 3394 G C 0.679 175.542 174.900 -0.063 0.000 1.047 3394 G CA 0.608 45.669 45.100 -0.065 0.000 0.869 3394 G HN 1.540 nan 8.290 nan 0.000 0.502 3395 A N -1.056 121.717 122.820 -0.078 0.000 2.469 3395 A HA 0.763 5.069 4.320 -0.023 0.000 0.245 3395 A C 1.792 179.341 177.584 -0.059 0.000 1.221 3395 A CA 1.388 53.387 52.037 -0.062 0.000 0.946 3395 A CB 0.267 19.230 19.000 -0.061 0.000 1.049 3395 A HN 2.590 nan 8.150 nan 0.000 0.529 3396 G N -0.075 108.683 108.800 -0.070 0.000 2.447 3396 G HA2 -0.089 3.857 3.960 -0.023 0.000 0.220 3396 G HA3 -0.089 3.857 3.960 -0.023 0.000 0.220 3396 G C -0.601 174.258 174.900 -0.068 0.000 1.261 3396 G CA -0.820 44.250 45.100 -0.050 0.000 1.000 3396 G HN 0.264 nan 8.290 nan 0.000 0.515 3397 R N 0.632 121.115 120.500 -0.028 0.000 4.510 3397 R HA 0.148 4.474 4.340 -0.023 0.000 0.170 3397 R C 1.173 177.470 176.300 -0.006 0.000 1.906 3397 R CA -0.074 56.019 56.100 -0.011 0.000 1.492 3397 R CB -0.755 29.558 30.300 0.021 0.000 1.383 3397 R HN 0.331 nan 8.270 nan 0.000 0.823 3398 L N -0.073 121.107 121.223 -0.072 0.000 2.554 3398 L HA 0.105 4.431 4.340 -0.023 0.000 0.226 3398 L C 0.856 177.830 176.870 0.174 0.000 1.137 3398 L CA 0.915 55.739 54.840 -0.027 0.000 0.863 3398 L CB -0.151 41.815 42.059 -0.154 0.000 0.985 3398 L HN 0.309 nan 8.230 nan 0.000 0.451 3399 F N 0.831 120.748 119.950 -0.055 0.000 2.467 3399 F HA 0.153 4.666 4.527 -0.024 0.000 0.349 3399 F C 1.115 176.912 175.800 -0.004 0.000 1.182 3399 F CA -1.028 56.965 58.000 -0.012 0.000 1.279 3399 F CB 0.023 39.026 39.000 0.006 0.000 1.626 3399 F HN 0.022 nan 8.300 nan 0.000 0.596 3400 T N -1.000 113.659 114.554 0.174 0.000 2.802 3400 T HA 0.078 4.414 4.350 -0.023 0.000 0.305 3400 T C -1.707 173.014 174.700 0.036 0.000 1.053 3400 T CA -1.497 60.651 62.100 0.081 0.000 1.058 3400 T CB 1.172 70.077 68.868 0.061 0.000 0.988 3400 T HN 0.107 nan 8.240 nan 0.000 0.539 3401 P HA -0.118 nan 4.420 nan 0.000 0.216 3401 P C 1.252 178.535 177.300 -0.030 0.000 1.153 3401 P CA 1.189 64.275 63.100 -0.022 0.000 0.858 3401 P CB -0.021 31.666 31.700 -0.022 0.000 0.789 3402 D N -0.843 119.547 120.400 -0.017 0.000 2.117 3402 D HA -0.098 4.528 4.640 -0.023 0.000 0.197 3402 D C 1.944 178.218 176.300 -0.042 0.000 0.987 3402 D CA 1.176 55.160 54.000 -0.027 0.000 0.829 3402 D CB -0.359 40.432 40.800 -0.015 0.000 0.961 3402 D HN 0.049 nan 8.370 nan 0.000 0.460 3403 V N 1.475 121.373 119.914 -0.028 0.000 2.358 3403 V HA -0.197 3.909 4.120 -0.023 0.000 0.246 3403 V C 2.548 178.576 176.094 -0.110 0.000 1.047 3403 V CA 1.036 63.303 62.300 -0.057 0.000 1.035 3403 V CB -0.326 31.507 31.823 0.016 0.000 0.658 3403 V HN 0.130 nan 8.190 nan 0.000 0.452 3404 I N -0.505 120.009 120.570 -0.093 0.000 2.252 3404 I HA -0.210 3.946 4.170 -0.023 0.000 0.245 3404 I C 2.761 178.815 176.117 -0.106 0.000 1.102 3404 I CA 1.519 62.748 61.300 -0.118 0.000 1.385 3404 I CB -0.363 37.575 38.000 -0.104 0.000 1.064 3404 I HN 0.157 nan 8.210 nan 0.000 0.414 3405 R N 0.804 121.254 120.500 -0.084 0.000 2.148 3405 R HA 0.006 4.332 4.340 -0.023 0.000 0.227 3405 R C 1.210 177.464 176.300 -0.077 0.000 1.103 3405 R CA 0.669 56.725 56.100 -0.074 0.000 0.983 3405 R CB -0.240 30.025 30.300 -0.058 0.000 0.874 3405 R HN 0.321 nan 8.270 nan 0.000 0.451 3409 S N 0.077 115.739 115.700 -0.063 0.000 2.395 3409 S HA 0.035 4.491 4.470 -0.023 0.000 0.225 3409 S C 1.850 176.417 174.600 -0.056 0.000 1.027 3409 S CA 1.507 59.674 58.200 -0.055 0.000 0.965 3409 S CB -0.411 62.755 63.200 -0.056 0.000 0.812 3409 S HN 0.453 nan 8.310 nan 0.000 0.482 3410 I N 1.468 121.997 120.570 -0.068 0.000 2.333 3410 I HA 0.020 4.176 4.170 -0.023 0.000 0.246 3410 I C 0.395 176.474 176.117 -0.062 0.000 1.106 3410 I CA 0.545 61.803 61.300 -0.070 0.000 1.411 3410 I CB -0.088 37.859 38.000 -0.088 0.000 1.082 3410 I HN 0.263 nan 8.210 nan 0.000 0.420 3411 N N 0.773 119.436 118.700 -0.063 0.000 2.314 3411 N HA 0.085 4.811 4.740 -0.023 0.000 0.304 3411 N C 0.545 176.030 175.510 -0.041 0.000 1.073 3411 N CA -0.184 52.834 53.050 -0.054 0.000 0.822 3411 N CB 2.203 40.654 38.487 -0.059 0.000 1.280 3411 N HN 0.071 nan 8.380 nan 0.000 0.489 3412 E N 1.689 121.871 120.200 -0.031 0.000 2.072 3412 E HA -0.092 4.244 4.350 -0.023 0.000 0.191 3412 E C -0.196 176.400 176.600 -0.007 0.000 0.985 3412 E CA 1.405 57.795 56.400 -0.017 0.000 0.801 3412 E CB 0.360 30.052 29.700 -0.012 0.000 0.750 3412 E HN 0.268 nan 8.360 nan 0.000 0.452 3413 R N 1.569 122.065 120.500 -0.007 0.000 2.564 3413 R HA 0.339 4.665 4.340 -0.023 0.000 0.282 3413 R C -2.548 173.749 176.300 -0.004 0.000 1.573 3413 R CA -2.433 53.673 56.100 0.010 0.000 1.588 3413 R CB 0.784 31.101 30.300 0.029 0.000 1.154 3413 R HN 0.268 nan 8.270 nan 0.000 0.606 3414 P HA 0.080 nan 4.420 nan 0.000 0.271 3414 P C -0.107 177.179 177.300 -0.024 0.000 1.216 3414 P CA -0.185 62.890 63.100 -0.042 0.000 0.776 3414 P CB 1.238 32.898 31.700 -0.066 0.000 0.881 3415 V N 5.221 125.100 119.914 -0.057 0.000 2.328 3415 V HA 0.312 4.418 4.120 -0.023 0.000 0.278 3415 V C 0.492 176.533 176.094 -0.089 0.000 1.021 3415 V CA -0.289 61.963 62.300 -0.079 0.000 0.838 3415 V CB 0.554 32.257 31.823 -0.199 0.000 0.999 3415 V HN 0.381 nan 8.190 nan 0.000 0.447 3416 I N 5.849 126.474 120.570 0.092 0.000 2.410 3416 I HA 0.460 4.616 4.170 -0.023 0.000 0.286 3416 I C -1.083 175.372 176.117 0.564 0.000 1.009 3416 I CA -0.226 61.212 61.300 0.230 0.000 1.111 3416 I CB 1.502 39.634 38.000 0.219 0.000 1.262 3416 I HN 0.335 nan 8.210 nan 0.000 0.443 3417 F N 4.939 124.997 119.950 0.179 0.000 2.402 3417 F HA 0.565 5.078 4.527 -0.024 0.000 0.355 3417 F C 0.450 176.354 175.800 0.173 0.000 1.123 3417 F CA -1.607 56.437 58.000 0.072 0.000 1.021 3417 F CB 1.841 40.867 39.000 0.045 0.000 1.160 3417 F HN 0.405 nan 8.300 nan 0.000 0.451 3418 A N 5.818 128.768 122.820 0.216 0.000 2.690 3418 A HA 0.558 4.864 4.320 -0.023 0.000 0.342 3418 A C 0.405 178.006 177.584 0.028 0.000 1.410 3418 A CA -0.303 51.816 52.037 0.135 0.000 0.958 3418 A CB -0.271 18.910 19.000 0.303 0.000 1.153 3418 A HN 0.822 nan 8.150 nan 0.000 0.497 3419 L N 0.980 122.212 121.223 0.016 0.000 2.567 3419 L HA 0.094 4.420 4.340 -0.023 0.000 0.225 3419 L C 0.899 177.757 176.870 -0.021 0.000 1.119 3419 L CA 0.053 54.890 54.840 -0.004 0.000 0.871 3419 L CB -0.094 41.994 42.059 0.049 0.000 1.036 3419 L HN 0.488 nan 8.230 nan 0.000 0.459 3420 S N 1.185 116.860 115.700 -0.042 0.000 2.549 3420 S HA 0.170 4.626 4.470 -0.023 0.000 0.283 3420 S C 0.123 174.689 174.600 -0.057 0.000 1.320 3420 S CA -0.178 57.989 58.200 -0.054 0.000 1.058 3420 S CB 0.275 63.425 63.200 -0.083 0.000 0.882 3420 S HN 0.270 nan 8.310 nan 0.000 0.498 3421 N N 3.012 121.671 118.700 -0.069 0.000 2.292 3421 N HA 0.525 5.251 4.740 -0.023 0.000 0.303 3421 N C -2.664 172.794 175.510 -0.087 0.000 1.140 3421 N CA -1.527 51.466 53.050 -0.095 0.000 0.788 3421 N CB 1.626 40.035 38.487 -0.130 0.000 1.361 3421 N HN 0.267 nan 8.380 nan 0.000 0.489 3422 P HA 0.158 nan 4.420 nan 0.000 0.307 3422 P C 0.597 177.840 177.300 -0.095 0.000 1.306 3422 P CA 0.032 63.065 63.100 -0.112 0.000 0.742 3422 P CB 0.208 31.845 31.700 -0.104 0.000 1.349 3423 T N -0.492 113.993 114.554 -0.115 0.000 2.778 3423 T HA -0.183 4.153 4.350 -0.023 0.000 0.269 3423 T C 1.828 176.522 174.700 -0.010 0.000 1.050 3423 T CA 2.174 64.210 62.100 -0.107 0.000 1.137 3423 T CB -1.037 67.737 68.868 -0.158 0.000 0.860 3423 T HN 0.497 nan 8.240 nan 0.000 0.468 3424 A N 0.625 123.436 122.820 -0.016 0.000 2.066 3424 A HA -0.003 4.303 4.320 -0.023 0.000 0.218 3424 A C 2.144 179.728 177.584 0.000 0.000 1.157 3424 A CA 0.954 52.995 52.037 0.006 0.000 0.670 3424 A CB -0.288 18.709 19.000 -0.005 0.000 0.804 3424 A HN 0.313 nan 8.150 nan 0.000 0.453 3425 Q N -0.558 119.230 119.800 -0.019 0.000 2.319 3425 Q HA 0.445 4.771 4.340 -0.023 0.000 0.202 3425 Q C 0.514 176.491 176.000 -0.039 0.000 0.896 3425 Q CA 0.478 56.261 55.803 -0.033 0.000 0.942 3425 Q CB 0.036 28.746 28.738 -0.047 0.000 1.083 3425 Q HN 0.566 nan 8.270 nan 0.000 0.510 3426 A N 0.378 123.199 122.820 0.000 0.000 2.440 3426 A HA 0.133 4.439 4.320 -0.023 0.000 0.251 3426 A C 0.694 178.273 177.584 -0.009 0.000 1.089 3426 A CA -0.259 51.794 52.037 0.027 0.000 0.779 3426 A CB 0.438 19.538 19.000 0.166 0.000 1.022 3426 A HN 0.179 nan 8.150 nan 0.000 0.492 3427 E N 0.256 120.379 120.200 -0.127 0.000 2.160 3427 E HA -0.065 4.271 4.350 -0.023 0.000 0.195 3427 E C 0.796 177.393 176.600 -0.005 0.000 0.991 3427 E CA 1.746 57.987 56.400 -0.266 0.000 0.810 3427 E CB -0.413 28.704 29.700 -0.971 0.000 0.742 3427 E HN 0.930 nan 8.360 nan 0.000 0.466 3428 C N -3.135 116.238 119.300 0.121 0.000 3.249 3428 C HA 0.705 5.151 4.460 -0.023 0.000 0.350 3428 C C -0.129 174.911 174.990 0.084 0.000 1.431 3428 C CA -0.472 58.615 59.018 0.115 0.000 1.209 3428 C CB 1.140 28.961 27.740 0.136 0.000 1.546 3428 C HN 0.277 nan 8.230 nan 0.000 0.450 3429 T N -1.063 113.370 114.554 -0.202 0.000 2.937 3429 T HA 0.716 5.052 4.350 -0.023 0.000 0.283 3429 T C 1.063 175.156 174.700 -1.013 0.000 1.012 3429 T CA 0.159 61.839 62.100 -0.700 0.000 0.997 3429 T CB 1.374 69.889 68.868 -0.588 0.000 1.136 3429 T HN 2.063 nan 8.240 nan 0.000 0.551 3430 A N 0.124 122.202 122.820 -1.236 0.000 1.873 3430 A HA -0.011 4.295 4.320 -0.023 0.000 0.215 3430 A C 2.294 179.552 177.584 -0.543 0.000 1.186 3430 A CA 1.077 52.573 52.037 -0.902 0.000 0.616 3430 A CB -0.979 17.945 19.000 -0.127 0.000 0.823 3430 A HN 0.905 nan 8.150 nan 0.000 0.442 3431 E N 0.026 120.008 120.200 -0.363 0.000 2.038 3431 E HA -0.229 4.107 4.350 -0.023 0.000 0.195 3431 E C 1.991 178.454 176.600 -0.228 0.000 1.000 3431 E CA 1.722 58.013 56.400 -0.182 0.000 0.803 3431 E CB -0.266 29.356 29.700 -0.130 0.000 0.750 3431 E HN 0.762 nan 8.360 nan 0.000 0.448 3432 E N 0.274 120.293 120.200 -0.301 0.000 2.051 3432 E HA -0.174 4.162 4.350 -0.023 0.000 0.192 3432 E C 2.029 178.435 176.600 -0.324 0.000 0.991 3432 E CA 1.094 57.343 56.400 -0.252 0.000 0.799 3432 E CB -0.148 29.425 29.700 -0.212 0.000 0.748 3432 E HN 0.229 nan 8.360 nan 0.000 0.449 3433 A N 0.599 123.083 122.820 -0.559 0.000 1.851 3433 A HA -0.229 4.077 4.320 -0.023 0.000 0.216 3433 A C 1.988 179.240 177.584 -0.553 0.000 1.195 3433 A CA 1.630 53.268 52.037 -0.665 0.000 0.622 3433 A CB -1.107 17.117 19.000 -1.293 0.000 0.831 3433 A HN 0.325 nan 8.150 nan 0.000 0.444 3434 Y N 0.335 120.376 120.300 -0.431 0.000 2.133 3434 Y HA -0.184 4.351 4.550 -0.024 0.000 0.287 3434 Y C 3.097 178.798 175.900 -0.333 0.000 1.134 3434 Y CA 1.637 59.474 58.100 -0.439 0.000 1.133 3434 Y CB -0.849 37.279 38.460 -0.553 0.000 0.987 3434 Y HN 0.290 nan 8.280 nan 0.000 0.502 3435 T N 0.964 115.459 114.554 -0.099 0.000 2.580 3435 T HA -0.232 4.104 4.350 -0.023 0.000 0.265 3435 T C 1.910 176.555 174.700 -0.091 0.000 1.063 3435 T CA 1.667 63.717 62.100 -0.083 0.000 1.170 3435 T CB -0.750 68.075 68.868 -0.071 0.000 0.863 3435 T HN 0.235 nan 8.240 nan 0.000 0.418 3436 L N 1.381 122.537 121.223 -0.112 0.000 2.349 3436 L HA -0.075 4.250 4.340 -0.023 0.000 0.220 3436 L C 2.575 179.388 176.870 -0.094 0.000 1.130 3436 L CA 1.423 56.205 54.840 -0.096 0.000 0.791 3436 L CB -0.952 41.045 42.059 -0.104 0.000 0.918 3436 L HN 0.523 nan 8.230 nan 0.000 0.444 3437 T N -4.965 109.521 114.554 -0.114 0.000 3.054 3437 T HA 0.094 4.430 4.350 -0.023 0.000 0.255 3437 T C 0.580 175.237 174.700 -0.072 0.000 1.035 3437 T CA -0.261 61.781 62.100 -0.096 0.000 0.941 3437 T CB 0.150 68.948 68.868 -0.116 0.000 1.026 3437 T HN 0.419 nan 8.240 nan 0.000 0.533 3438 E N 0.828 120.985 120.200 -0.072 0.000 2.416 3438 E HA -0.196 4.140 4.350 -0.023 0.000 0.249 3438 E C 0.921 177.488 176.600 -0.055 0.000 1.124 3438 E CA 0.223 56.595 56.400 -0.046 0.000 0.732 3438 E CB -2.351 27.338 29.700 -0.019 0.000 1.286 3438 E HN 0.990 nan 8.360 nan 0.000 0.394 3439 G N 0.295 108.993 108.800 -0.170 0.000 2.179 3439 G HA2 -0.397 3.549 3.960 -0.023 0.000 0.257 3439 G HA3 -0.397 3.549 3.960 -0.023 0.000 0.257 3439 G C 0.709 175.566 174.900 -0.071 0.000 1.010 3439 G CA 0.697 45.572 45.100 -0.375 0.000 0.736 3439 G HN 0.416 nan 8.290 nan 0.000 0.513 3440 R N -0.711 119.777 120.500 -0.020 0.000 2.312 3440 R HA 0.197 4.523 4.340 -0.023 0.000 0.205 3440 R C 1.923 178.256 176.300 0.054 0.000 0.904 3440 R CA 0.682 56.807 56.100 0.041 0.000 1.052 3440 R CB -0.000 30.308 30.300 0.013 0.000 1.014 3440 R HN 0.769 nan 8.270 nan 0.000 0.503 3441 C N -0.292 119.026 119.300 0.030 0.000 2.443 3441 C HA 0.555 5.001 4.460 -0.023 0.000 0.369 3441 C C 0.347 175.440 174.990 0.172 0.000 1.241 3441 C CA -1.187 57.852 59.018 0.035 0.000 2.413 3441 C CB 0.071 27.752 27.740 -0.099 0.000 2.451 3441 C HN 0.177 nan 8.230 nan 0.000 0.595 3442 L N 2.670 123.999 121.223 0.176 0.000 2.301 3442 L HA 0.453 4.779 4.340 -0.023 0.000 0.278 3442 L C -0.387 176.689 176.870 0.343 0.000 1.022 3442 L CA -0.058 54.946 54.840 0.272 0.000 0.854 3442 L CB 0.412 42.590 42.059 0.198 0.000 1.226 3442 L HN 0.766 nan 8.230 nan 0.000 0.429 3443 F N 3.443 123.482 119.950 0.149 0.000 2.450 3443 F HA 0.831 5.344 4.527 -0.023 0.000 0.332 3443 F C -0.203 175.698 175.800 0.168 0.000 1.093 3443 F CA -0.516 57.541 58.000 0.095 0.000 1.003 3443 F CB 1.475 40.270 39.000 -0.341 0.000 1.151 3443 F HN 0.394 nan 8.300 nan 0.000 0.474 3444 A N 3.217 125.572 122.820 -0.775 0.000 2.539 3444 A HA 0.784 5.090 4.320 -0.023 0.000 0.296 3444 A C -1.296 175.655 177.584 -1.056 0.000 1.073 3444 A CA -0.207 51.328 52.037 -0.838 0.000 0.700 3444 A CB 1.427 19.787 19.000 -1.067 0.000 1.296 3444 A HN 1.086 nan 8.150 nan 0.000 0.405 3445 S N -0.159 115.188 115.700 -0.588 0.000 2.595 3445 S HA 0.666 5.122 4.470 -0.023 0.000 0.281 3445 S C 0.756 175.265 174.600 -0.151 0.000 1.117 3445 S CA -0.023 58.009 58.200 -0.279 0.000 0.873 3445 S CB 1.400 64.657 63.200 0.096 0.000 1.108 3445 S HN 1.710 nan 8.310 nan 0.000 0.477 3446 G N 0.755 109.500 108.800 -0.092 0.000 2.430 3446 G HA2 0.225 4.171 3.960 -0.023 0.000 0.216 3446 G HA3 0.225 4.171 3.960 -0.023 0.000 0.216 3446 G C 0.331 175.176 174.900 -0.093 0.000 1.146 3446 G CA 0.235 45.286 45.100 -0.082 0.000 0.793 3446 G HN 0.699 nan 8.290 nan 0.000 0.537 3447 S N 0.832 116.450 115.700 -0.137 0.000 2.621 3447 S HA 0.554 5.010 4.470 -0.023 0.000 0.302 3447 S C -2.643 171.782 174.600 -0.291 0.000 1.093 3447 S CA -1.022 57.049 58.200 -0.214 0.000 1.017 3447 S CB 2.373 65.406 63.200 -0.278 0.000 1.077 3447 S HN 0.020 nan 8.310 nan 0.000 0.517 3448 P HA 0.236 nan 4.420 nan 0.000 0.268 3448 P C -1.241 175.877 177.300 -0.303 0.000 1.204 3448 P CA 0.277 63.283 63.100 -0.156 0.000 0.768 3448 P CB -0.003 31.666 31.700 -0.050 0.000 0.842 3449 F N 0.872 120.905 119.950 0.139 0.000 2.574 3449 F HA 0.432 4.945 4.527 -0.024 0.000 0.313 3449 F C 1.143 177.042 175.800 0.164 0.000 1.130 3449 F CA -0.810 57.289 58.000 0.164 0.000 0.936 3449 F CB 2.212 41.359 39.000 0.246 0.000 1.219 3449 F HN 0.312 nan 8.300 nan 0.000 0.445 3450 G N 2.267 111.278 108.800 0.351 0.000 2.653 3450 G HA2 0.441 4.387 3.960 -0.023 0.000 0.265 3450 G HA3 0.441 4.387 3.960 -0.023 0.000 0.265 3450 G C -2.630 172.410 174.900 0.234 0.000 1.237 3450 G CA -1.074 44.167 45.100 0.236 0.000 0.946 3450 G HN 0.318 nan 8.290 nan 0.000 0.522 3451 P HA 0.254 nan 4.420 nan 0.000 0.275 3451 P C -0.685 176.693 177.300 0.130 0.000 1.228 3451 P CA -0.259 62.931 63.100 0.150 0.000 0.786 3451 P CB 1.467 33.224 31.700 0.096 0.000 0.927 3452 V N 3.586 123.577 119.914 0.129 0.000 2.370 3452 V HA 0.283 4.389 4.120 -0.023 0.000 0.283 3452 V C 0.592 176.758 176.094 0.120 0.000 1.023 3452 V CA -0.455 61.912 62.300 0.113 0.000 0.857 3452 V CB 1.064 32.968 31.823 0.134 0.000 0.985 3452 V HN 0.521 nan 8.190 nan 0.000 0.443 3453 K N 5.930 126.383 120.400 0.089 0.000 2.281 3453 K HA 0.545 4.851 4.320 -0.023 0.000 0.272 3453 K C -0.551 176.097 176.600 0.081 0.000 1.048 3453 K CA -0.559 55.778 56.287 0.083 0.000 0.898 3453 K CB 0.721 33.249 32.500 0.047 0.000 1.128 3453 K HN 0.611 nan 8.250 nan 0.000 0.460 3454 L N 2.998 124.290 121.223 0.114 0.000 2.464 3454 L HA 0.058 4.384 4.340 -0.023 0.000 0.264 3454 L C 1.978 178.881 176.870 0.055 0.000 1.199 3454 L CA -0.155 54.733 54.840 0.080 0.000 0.818 3454 L CB 0.862 42.985 42.059 0.107 0.000 1.102 3454 L HN 0.841 nan 8.230 nan 0.000 0.473 3455 T N -3.101 111.475 114.554 0.037 0.000 2.977 3455 T HA -0.151 4.185 4.350 -0.023 0.000 0.271 3455 T C 0.914 175.630 174.700 0.027 0.000 1.105 3455 T CA 1.048 63.164 62.100 0.027 0.000 1.116 3455 T CB -0.489 68.389 68.868 0.018 0.000 0.878 3455 T HN 0.763 nan 8.240 nan 0.000 0.509 3456 D N 0.321 120.743 120.400 0.037 0.000 2.328 3456 D HA 0.295 4.921 4.640 -0.023 0.000 0.226 3456 D C 1.646 177.964 176.300 0.030 0.000 1.066 3456 D CA 0.430 54.450 54.000 0.033 0.000 0.861 3456 D CB -0.643 40.181 40.800 0.041 0.000 0.912 3456 D HN 0.540 nan 8.370 nan 0.000 0.521 3457 G N 0.061 108.880 108.800 0.032 0.000 2.241 3457 G HA2 -0.335 3.611 3.960 -0.023 0.000 0.244 3457 G HA3 -0.335 3.611 3.960 -0.023 0.000 0.244 3457 G C 0.426 175.332 174.900 0.011 0.000 0.998 3457 G CA -0.122 44.989 45.100 0.018 0.000 0.621 3457 G HN 0.461 nan 8.290 nan 0.000 0.519 3458 R N -0.081 120.440 120.500 0.035 0.000 2.643 3458 R HA 0.510 4.836 4.340 -0.023 0.000 0.270 3458 R C -0.041 176.258 176.300 -0.003 0.000 1.061 3458 R CA 0.258 56.355 56.100 -0.006 0.000 1.107 3458 R CB 1.109 31.469 30.300 0.099 0.000 0.999 3458 R HN 0.161 nan 8.270 nan 0.000 0.460 3459 V N 3.655 123.442 119.914 -0.213 0.000 2.656 3459 V HA 0.458 4.564 4.120 -0.023 0.000 0.307 3459 V C -0.879 174.945 176.094 -0.449 0.000 1.051 3459 V CA -0.715 61.494 62.300 -0.152 0.000 0.893 3459 V CB 1.527 33.287 31.823 -0.105 0.000 0.999 3459 V HN 0.522 nan 8.190 nan 0.000 0.426 3460 F N 1.104 120.906 119.950 -0.248 0.000 2.520 3460 F HA 0.568 5.080 4.527 -0.024 0.000 0.322 3460 F C 0.526 176.211 175.800 -0.190 0.000 1.103 3460 F CA -0.564 57.204 58.000 -0.386 0.000 0.926 3460 F CB 2.414 40.752 39.000 -1.104 0.000 1.154 3460 F HN 0.300 nan 8.300 nan 0.000 0.453 3461 T N 4.855 119.443 114.554 0.057 0.000 3.042 3461 T HA 0.276 4.612 4.350 -0.023 0.000 0.356 3461 T C -2.644 172.208 174.700 0.252 0.000 1.233 3461 T CA -1.496 60.689 62.100 0.142 0.000 1.038 3461 T CB 0.527 69.444 68.868 0.082 0.000 1.089 3461 T HN 0.176 nan 8.240 nan 0.000 0.531 3462 P HA 0.282 nan 4.420 nan 0.000 0.271 3462 P C 0.320 177.804 177.300 0.307 0.000 1.216 3462 P CA -0.124 63.253 63.100 0.461 0.000 0.776 3462 P CB 0.878 32.983 31.700 0.675 0.000 0.881 3463 G N 1.988 110.942 108.800 0.257 0.000 2.477 3463 G HA2 0.298 4.244 3.960 -0.023 0.000 0.304 3463 G HA3 0.298 4.244 3.960 -0.023 0.000 0.304 3463 G C -0.944 174.041 174.900 0.142 0.000 1.175 3463 G CA -0.514 44.737 45.100 0.252 0.000 0.907 3463 G HN 0.541 nan 8.290 nan 0.000 0.509 3464 Q N 0.122 119.962 119.800 0.066 0.000 2.430 3464 Q HA 0.443 4.769 4.340 -0.023 0.000 0.245 3464 Q C 0.412 176.185 176.000 -0.378 0.000 1.021 3464 Q CA -0.615 55.155 55.803 -0.055 0.000 0.867 3464 Q CB 0.783 29.570 28.738 0.082 0.000 1.210 3464 Q HN 0.581 nan 8.270 nan 0.000 0.487 3465 G N 4.404 112.946 108.800 -0.431 0.000 2.865 3465 G HA2 0.050 3.996 3.960 -0.023 0.000 0.292 3465 G HA3 0.050 3.996 3.960 -0.023 0.000 0.292 3465 G C -0.465 174.296 174.900 -0.231 0.000 0.800 3465 G CA -0.199 44.566 45.100 -0.559 0.000 1.838 3465 G HN 0.554 nan 8.290 nan 0.000 0.535 3466 N N 1.331 119.958 118.700 -0.121 0.000 2.229 3466 N HA 0.046 4.772 4.740 -0.023 0.000 0.298 3466 N C 0.891 176.492 175.510 0.151 0.000 1.114 3466 N CA -0.670 52.420 53.050 0.068 0.000 0.776 3466 N CB 1.475 40.054 38.487 0.154 0.000 1.501 3466 N HN 0.258 nan 8.380 nan 0.000 0.474 3467 N N 1.597 120.434 118.700 0.230 0.000 2.635 3467 N HA -0.129 4.597 4.740 -0.023 0.000 0.191 3467 N C 1.392 177.064 175.510 0.270 0.000 1.155 3467 N CA 0.508 53.742 53.050 0.308 0.000 0.927 3467 N CB -0.197 38.532 38.487 0.403 0.000 0.976 3467 N HN 0.267 nan 8.380 nan 0.000 0.448 3468 V N -0.485 119.522 119.914 0.155 0.000 2.720 3468 V HA -0.180 3.926 4.120 -0.023 0.000 0.256 3468 V C 1.045 176.845 176.094 -0.490 0.000 1.082 3468 V CA 1.332 63.414 62.300 -0.365 0.000 1.101 3468 V CB -0.747 30.870 31.823 -0.343 0.000 0.693 3468 V HN 0.316 nan 8.190 nan 0.000 0.479 3469 Y N -0.937 119.221 120.300 -0.236 0.000 2.583 3469 Y HA 0.077 4.612 4.550 -0.024 0.000 0.293 3469 Y C 1.983 177.788 175.900 -0.159 0.000 1.157 3469 Y CA 0.878 58.861 58.100 -0.195 0.000 1.315 3469 Y CB 0.405 38.772 38.460 -0.156 0.000 1.021 3469 Y HN 0.248 nan 8.280 nan 0.000 0.536 3470 I N -2.125 118.441 120.570 -0.008 0.000 3.673 3470 I HA -0.105 4.051 4.170 -0.023 0.000 0.281 3470 I C 1.971 178.102 176.117 0.022 0.000 1.182 3470 I CA 0.546 61.875 61.300 0.049 0.000 1.391 3470 I CB -1.164 36.955 38.000 0.199 0.000 1.383 3470 I HN 0.149 nan 8.210 nan 0.000 0.456 3471 F N 2.459 122.485 119.950 0.128 0.000 2.216 3471 F HA 0.053 4.566 4.527 -0.024 0.000 0.300 3471 F C -0.804 174.931 175.800 -0.109 0.000 1.085 3471 F CA 0.679 58.758 58.000 0.132 0.000 1.326 3471 F CB -2.771 36.438 39.000 0.348 0.000 1.027 3471 F HN 0.059 nan 8.300 nan 0.000 0.497 3472 P HA -0.008 nan 4.420 nan 0.000 0.213 3472 P C 2.127 179.251 177.300 -0.293 0.000 1.170 3472 P CA 2.277 65.125 63.100 -0.420 0.000 0.893 3472 P CB -0.469 30.953 31.700 -0.464 0.000 0.784 3473 G N -0.447 108.220 108.800 -0.221 0.000 2.422 3473 G HA2 -0.182 3.764 3.960 -0.023 0.000 0.218 3473 G HA3 -0.182 3.764 3.960 -0.023 0.000 0.218 3473 G C 1.563 176.373 174.900 -0.150 0.000 1.140 3473 G CA 0.576 45.584 45.100 -0.152 0.000 0.775 3473 G HN 0.163 nan 8.290 nan 0.000 0.545 3474 V N 1.138 120.948 119.914 -0.174 0.000 2.488 3474 V HA -0.008 4.098 4.120 -0.023 0.000 0.246 3474 V C 3.213 179.174 176.094 -0.222 0.000 1.046 3474 V CA 1.693 63.849 62.300 -0.239 0.000 1.053 3474 V CB -0.455 31.154 31.823 -0.357 0.000 0.679 3474 V HN 0.453 nan 8.190 nan 0.000 0.458 3475 A N 0.118 122.821 122.820 -0.196 0.000 1.855 3475 A HA -0.178 4.128 4.320 -0.023 0.000 0.215 3475 A C 2.154 179.667 177.584 -0.118 0.000 1.191 3475 A CA 1.969 53.916 52.037 -0.150 0.000 0.613 3475 A CB -0.637 18.164 19.000 -0.331 0.000 0.829 3475 A HN 0.411 nan 8.150 nan 0.000 0.442 3476 L N 0.028 121.161 121.223 -0.149 0.000 1.971 3476 L HA -0.196 4.130 4.340 -0.023 0.000 0.215 3476 L C 2.751 179.599 176.870 -0.037 0.000 1.072 3476 L CA 2.532 57.321 54.840 -0.085 0.000 0.758 3476 L CB -1.043 40.963 42.059 -0.088 0.000 0.889 3476 L HN 0.397 nan 8.230 nan 0.000 0.433 3477 A N -1.136 121.656 122.820 -0.046 0.000 1.859 3477 A HA -0.230 4.076 4.320 -0.023 0.000 0.217 3477 A C 2.282 179.858 177.584 -0.012 0.000 1.198 3477 A CA 2.610 54.640 52.037 -0.012 0.000 0.629 3477 A CB -1.374 17.602 19.000 -0.040 0.000 0.830 3477 A HN 0.351 nan 8.150 nan 0.000 0.446 3478 V N -0.039 119.845 119.914 -0.049 0.000 2.324 3478 V HA -0.324 3.782 4.120 -0.023 0.000 0.250 3478 V C 2.433 178.535 176.094 0.014 0.000 1.060 3478 V CA 2.284 64.567 62.300 -0.028 0.000 1.042 3478 V CB -0.750 31.050 31.823 -0.038 0.000 0.650 3478 V HN 0.572 nan 8.190 nan 0.000 0.450 3479 I N -0.722 119.859 120.570 0.019 0.000 2.163 3479 I HA -0.236 3.920 4.170 -0.023 0.000 0.240 3479 I C 2.305 178.458 176.117 0.061 0.000 1.081 3479 I CA 1.559 62.880 61.300 0.034 0.000 1.353 3479 I CB -0.322 37.691 38.000 0.022 0.000 1.054 3479 I HN 0.219 nan 8.210 nan 0.000 0.407 3480 L N -0.184 121.086 121.223 0.079 0.000 2.079 3480 L HA -0.254 4.072 4.340 -0.023 0.000 0.210 3480 L C 2.237 179.236 176.870 0.215 0.000 1.081 3480 L CA 1.119 56.057 54.840 0.163 0.000 0.752 3480 L CB -0.704 41.481 42.059 0.211 0.000 0.896 3480 L HN 0.426 nan 8.230 nan 0.000 0.433 3481 C N -0.302 119.063 119.300 0.107 0.000 2.626 3481 C HA 0.099 4.545 4.460 -0.023 0.000 0.266 3481 C C 1.092 176.103 174.990 0.034 0.000 1.317 3481 C CA -0.430 58.580 59.018 -0.014 0.000 1.716 3481 C CB -2.019 25.590 27.740 -0.219 0.000 1.819 3481 C HN 0.619 nan 8.230 nan 0.000 0.578 3482 N N 0.592 119.346 118.700 0.090 0.000 2.727 3482 N HA -0.147 4.579 4.740 -0.023 0.000 0.249 3482 N C -0.378 175.211 175.510 0.131 0.000 1.048 3482 N CA 0.268 53.386 53.050 0.114 0.000 0.714 3482 N CB -0.864 37.724 38.487 0.170 0.000 0.959 3482 N HN 0.500 nan 8.380 nan 0.000 0.544 3483 T N -0.136 114.468 114.554 0.084 0.000 2.926 3483 T HA 0.096 4.432 4.350 -0.023 0.000 0.307 3483 T C 1.586 176.298 174.700 0.020 0.000 1.059 3483 T CA -0.008 62.150 62.100 0.096 0.000 1.122 3483 T CB 1.135 70.026 68.868 0.038 0.000 0.972 3483 T HN 0.221 nan 8.240 nan 0.000 0.545 3484 R N 1.101 121.561 120.500 -0.066 0.000 2.146 3484 R HA 0.159 4.485 4.340 -0.023 0.000 0.206 3484 R C 0.240 176.341 176.300 -0.332 0.000 1.049 3484 R CA 0.594 56.499 56.100 -0.324 0.000 1.029 3484 R CB 0.224 30.132 30.300 -0.654 0.000 0.949 3484 R HN 0.695 nan 8.270 nan 0.000 0.471 3485 H N -0.584 118.542 119.070 0.094 0.000 2.961 3485 H HA 0.444 4.985 4.556 -0.024 0.000 0.371 3485 H C -0.939 174.458 175.328 0.115 0.000 1.190 3485 H CA -0.937 55.178 56.048 0.111 0.000 1.138 3485 H CB 2.470 32.291 29.762 0.099 0.000 1.816 3485 H HN -0.125 nan 8.280 nan 0.000 0.551 3486 I N 2.212 122.949 120.570 0.278 0.000 2.354 3486 I HA 0.268 4.424 4.170 -0.023 0.000 0.292 3486 I C 0.167 176.417 176.117 0.222 0.000 0.989 3486 I CA -0.587 60.828 61.300 0.192 0.000 1.188 3486 I CB 1.458 39.568 38.000 0.182 0.000 1.342 3486 I HN 0.534 nan 8.210 nan 0.000 0.457 3487 S N 2.714 118.520 115.700 0.177 0.000 2.690 3487 S HA 0.311 4.767 4.470 -0.023 0.000 0.291 3487 S C 0.440 175.183 174.600 0.239 0.000 1.138 3487 S CA -0.706 57.610 58.200 0.193 0.000 1.013 3487 S CB 1.943 65.245 63.200 0.171 0.000 1.053 3487 S HN 0.551 nan 8.310 nan 0.000 0.539 3488 D N 1.323 121.872 120.400 0.247 0.000 2.219 3488 D HA -0.047 4.579 4.640 -0.023 0.000 0.205 3488 D C 2.019 178.455 176.300 0.226 0.000 0.970 3488 D CA 1.496 55.678 54.000 0.305 0.000 0.851 3488 D CB -0.499 40.418 40.800 0.194 0.000 0.943 3488 D HN 0.668 nan 8.370 nan 0.000 0.488 3489 S N -0.041 115.731 115.700 0.121 0.000 2.442 3489 S HA -0.091 4.365 4.470 -0.023 0.000 0.236 3489 S C 2.244 176.696 174.600 -0.245 0.000 1.007 3489 S CA 0.341 58.546 58.200 0.009 0.000 0.965 3489 S CB -0.391 62.872 63.200 0.106 0.000 0.773 3489 S HN 0.087 nan 8.310 nan 0.000 0.504 3490 V N 1.104 120.873 119.914 -0.243 0.000 2.343 3490 V HA -0.136 3.970 4.120 -0.023 0.000 0.247 3490 V C 2.024 177.825 176.094 -0.489 0.000 1.051 3490 V CA 1.706 63.705 62.300 -0.502 0.000 1.036 3490 V CB -0.919 30.617 31.823 -0.478 0.000 0.654 3490 V HN 0.449 nan 8.190 nan 0.000 0.451 3491 F N -0.941 118.924 119.950 -0.142 0.000 2.206 3491 F HA -0.079 4.435 4.527 -0.022 0.000 0.298 3491 F C 2.217 177.972 175.800 -0.074 0.000 1.090 3491 F CA 1.229 59.177 58.000 -0.087 0.000 1.323 3491 F CB -0.377 38.609 39.000 -0.025 0.000 1.028 3491 F HN 0.023 nan 8.300 nan 0.000 0.492 3492 L N 0.198 121.470 121.223 0.081 0.000 2.012 3492 L HA -0.258 4.068 4.340 -0.023 0.000 0.210 3492 L C 2.533 179.377 176.870 -0.044 0.000 1.073 3492 L CA 1.843 56.704 54.840 0.034 0.000 0.748 3492 L CB -0.319 41.755 42.059 0.024 0.000 0.891 3492 L HN 0.152 nan 8.230 nan 0.000 0.431 3493 E N 0.322 120.411 120.200 -0.185 0.000 2.031 3493 E HA -0.215 4.121 4.350 -0.023 0.000 0.193 3493 E C 1.998 178.518 176.600 -0.134 0.000 0.994 3493 E CA 1.847 58.108 56.400 -0.231 0.000 0.800 3493 E CB -0.281 29.079 29.700 -0.567 0.000 0.752 3493 E HN 0.489 nan 8.360 nan 0.000 0.447 3494 A N 0.589 123.317 122.820 -0.152 0.000 1.978 3494 A HA -0.066 4.240 4.320 -0.023 0.000 0.220 3494 A C 2.380 179.965 177.584 0.002 0.000 1.170 3494 A CA 2.074 54.060 52.037 -0.085 0.000 0.636 3494 A CB -0.881 18.045 19.000 -0.123 0.000 0.810 3494 A HN 0.379 nan 8.150 nan 0.000 0.448 3495 A N -0.009 122.831 122.820 0.034 0.000 1.930 3495 A HA -0.112 4.194 4.320 -0.023 0.000 0.217 3495 A C 2.104 179.715 177.584 0.045 0.000 1.175 3495 A CA 1.550 53.630 52.037 0.071 0.000 0.627 3495 A CB -0.315 18.741 19.000 0.093 0.000 0.815 3495 A HN 0.532 nan 8.150 nan 0.000 0.443 3496 K N -0.153 120.258 120.400 0.019 0.000 2.062 3496 K HA 0.010 4.316 4.320 -0.023 0.000 0.205 3496 K C 2.247 178.857 176.600 0.016 0.000 1.051 3496 K CA 1.074 57.371 56.287 0.016 0.000 0.941 3496 K CB -0.357 32.148 32.500 0.009 0.000 0.719 3496 K HN 0.397 nan 8.250 nan 0.000 0.440 3497 A N 1.751 124.576 122.820 0.008 0.000 2.019 3497 A HA -0.135 4.171 4.320 -0.023 0.000 0.219 3497 A C 2.113 179.712 177.584 0.025 0.000 1.164 3497 A CA 1.018 53.062 52.037 0.013 0.000 0.644 3497 A CB -0.377 18.623 19.000 0.000 0.000 0.805 3497 A HN 0.219 nan 8.150 nan 0.000 0.449 3498 L N -0.976 120.268 121.223 0.036 0.000 2.007 3498 L HA -0.036 4.290 4.340 -0.023 0.000 0.205 3498 L C 2.465 179.357 176.870 0.036 0.000 1.073 3498 L CA 2.844 57.716 54.840 0.053 0.000 0.744 3498 L CB -1.278 40.828 42.059 0.078 0.000 0.898 3498 L HN 0.304 nan 8.230 nan 0.000 0.435 3499 T N -1.349 113.218 114.554 0.022 0.000 2.833 3499 T HA -0.169 4.167 4.350 -0.023 0.000 0.269 3499 T C 2.100 176.800 174.700 -0.001 0.000 1.054 3499 T CA 1.596 63.690 62.100 -0.010 0.000 1.135 3499 T CB -0.454 68.403 68.868 -0.020 0.000 0.869 3499 T HN 0.697 nan 8.240 nan 0.000 0.466 3500 S N 0.407 116.114 115.700 0.011 0.000 2.500 3500 S HA -0.072 4.384 4.470 -0.023 0.000 0.239 3500 S C 1.706 176.316 174.600 0.016 0.000 0.989 3500 S CA 0.809 59.017 58.200 0.014 0.000 0.951 3500 S CB -0.410 62.801 63.200 0.018 0.000 0.759 3500 S HN 0.731 nan 8.310 nan 0.000 0.523 3501 Q N 0.058 119.871 119.800 0.021 0.000 2.319 3501 Q HA 0.375 4.701 4.340 -0.023 0.000 0.202 3501 Q C 0.060 176.076 176.000 0.026 0.000 0.896 3501 Q CA -0.199 55.621 55.803 0.028 0.000 0.942 3501 Q CB 0.276 29.038 28.738 0.041 0.000 1.083 3501 Q HN 0.492 nan 8.270 nan 0.000 0.510 3502 L N 3.011 124.242 121.223 0.013 0.000 2.319 3502 L HA 0.184 4.510 4.340 -0.023 0.000 0.280 3502 L C 0.289 177.165 176.870 0.009 0.000 1.099 3502 L CA 0.176 55.021 54.840 0.008 0.000 0.828 3502 L CB 0.985 43.031 42.059 -0.022 0.000 1.150 3502 L HN 0.149 nan 8.230 nan 0.000 0.442 3503 T N -0.032 114.531 114.554 0.015 0.000 2.918 3503 T HA 0.195 4.531 4.350 -0.023 0.000 0.283 3503 T C 0.883 175.589 174.700 0.010 0.000 1.001 3503 T CA -0.863 61.245 62.100 0.013 0.000 1.041 3503 T CB 1.427 70.303 68.868 0.015 0.000 1.028 3503 T HN 0.568 nan 8.240 nan 0.000 0.511 3504 D N 1.514 121.919 120.400 0.008 0.000 2.092 3504 D HA -0.141 4.485 4.640 -0.023 0.000 0.193 3504 D C 1.705 178.008 176.300 0.005 0.000 0.994 3504 D CA 1.490 55.495 54.000 0.007 0.000 0.828 3504 D CB -0.171 40.632 40.800 0.006 0.000 0.963 3504 D HN 0.734 nan 8.370 nan 0.000 0.450 3505 E N 0.840 121.042 120.200 0.003 0.000 2.273 3505 E HA -0.164 4.172 4.350 -0.023 0.000 0.198 3505 E C 1.873 178.473 176.600 0.000 0.000 1.002 3505 E CA 0.784 57.183 56.400 -0.002 0.000 0.828 3505 E CB -0.102 29.597 29.700 -0.001 0.000 0.747 3505 E HN 0.439 nan 8.360 nan 0.000 0.491 3506 E N -0.143 120.063 120.200 0.010 0.000 2.060 3506 E HA 0.019 4.355 4.350 -0.023 0.000 0.189 3506 E C 1.917 178.531 176.600 0.023 0.000 0.974 3506 E CA 0.204 56.617 56.400 0.020 0.000 0.808 3506 E CB -0.013 29.705 29.700 0.030 0.000 0.768 3506 E HN 0.172 nan 8.360 nan 0.000 0.453 3507 L N 0.582 121.816 121.223 0.018 0.000 2.131 3507 L HA -0.191 4.135 4.340 -0.023 0.000 0.210 3507 L C 2.357 179.243 176.870 0.028 0.000 1.092 3507 L CA 0.979 55.834 54.840 0.025 0.000 0.759 3507 L CB -0.228 41.841 42.059 0.017 0.000 0.903 3507 L HN 0.181 nan 8.230 nan 0.000 0.435 3508 A N -0.962 121.862 122.820 0.007 0.000 1.933 3508 A HA -0.264 4.042 4.320 -0.023 0.000 0.218 3508 A C 2.096 179.650 177.584 -0.049 0.000 1.175 3508 A CA 1.474 53.502 52.037 -0.015 0.000 0.628 3508 A CB -0.397 18.589 19.000 -0.023 0.000 0.814 3508 A HN 0.518 nan 8.150 nan 0.000 0.444 3509 Q N -2.058 117.719 119.800 -0.039 0.000 2.369 3509 Q HA 0.143 4.469 4.340 -0.023 0.000 0.206 3509 Q C 1.198 177.167 176.000 -0.050 0.000 0.963 3509 Q CA 0.680 56.439 55.803 -0.072 0.000 0.894 3509 Q CB -0.008 28.715 28.738 -0.025 0.000 0.965 3509 Q HN 0.916 nan 8.270 nan 0.000 0.475 3510 G N 0.777 109.601 108.800 0.040 0.000 2.168 3510 G HA2 -0.209 3.737 3.960 -0.023 0.000 0.197 3510 G HA3 -0.209 3.737 3.960 -0.023 0.000 0.197 3510 G C -0.349 174.670 174.900 0.197 0.000 0.997 3510 G CA -0.550 44.648 45.100 0.164 0.000 0.658 3510 G HN 0.170 nan 8.290 nan 0.000 0.513 3511 R N 0.159 120.734 120.500 0.126 0.000 2.265 3511 R HA 0.594 4.920 4.340 -0.023 0.000 0.314 3511 R C 1.107 177.433 176.300 0.044 0.000 1.053 3511 R CA -0.488 55.685 56.100 0.121 0.000 0.931 3511 R CB 0.845 31.210 30.300 0.109 0.000 1.024 3511 R HN 0.196 nan 8.270 nan 0.000 0.457 3512 L N 2.735 123.944 121.223 -0.023 0.000 2.628 3512 L HA 0.233 4.559 4.340 -0.023 0.000 0.229 3512 L C -0.472 176.021 176.870 -0.629 0.000 1.137 3512 L CA 0.196 54.870 54.840 -0.277 0.000 0.909 3512 L CB -0.033 41.833 42.059 -0.321 0.000 1.137 3512 L HN 0.601 nan 8.230 nan 0.000 0.470 3513 Y N -1.615 118.628 120.300 -0.095 0.000 2.571 3513 Y HA 0.416 4.951 4.550 -0.024 0.000 0.341 3513 Y C -2.421 173.411 175.900 -0.114 0.000 1.076 3513 Y CA -2.715 55.251 58.100 -0.222 0.000 1.029 3513 Y CB 1.115 39.269 38.460 -0.508 0.000 1.308 3513 Y HN -0.209 nan 8.280 nan 0.000 0.461 3514 P HA 0.089 nan 4.420 nan 0.000 0.269 3514 P C -2.603 174.833 177.300 0.227 0.000 1.209 3514 P CA -0.986 62.195 63.100 0.135 0.000 0.776 3514 P CB -0.026 31.761 31.700 0.145 0.000 0.876 3515 P HA -0.072 nan 4.420 nan 0.000 0.261 3515 P C 0.909 178.316 177.300 0.178 0.000 1.173 3515 P CA 0.077 63.273 63.100 0.161 0.000 0.760 3515 P CB 0.237 31.995 31.700 0.098 0.000 0.783 3516 L N 4.986 126.310 121.223 0.168 0.000 2.129 3516 L HA -0.227 4.099 4.340 -0.023 0.000 0.212 3516 L C 2.173 179.033 176.870 -0.017 0.000 1.087 3516 L CA 2.164 57.028 54.840 0.041 0.000 0.757 3516 L CB -1.545 40.526 42.059 0.021 0.000 0.896 3516 L HN 0.458 nan 8.230 nan 0.000 0.434 3517 A N -0.514 122.318 122.820 0.020 0.000 2.032 3517 A HA -0.228 4.078 4.320 -0.023 0.000 0.221 3517 A C 1.553 179.133 177.584 -0.007 0.000 1.165 3517 A CA 1.993 54.031 52.037 0.003 0.000 0.645 3517 A CB -0.945 18.065 19.000 0.017 0.000 0.807 3517 A HN 0.765 nan 8.150 nan 0.000 0.453 3518 N N -0.961 117.745 118.700 0.010 0.000 2.321 3518 N HA 0.308 5.034 4.740 -0.023 0.000 0.242 3518 N C 0.851 176.355 175.510 -0.009 0.000 1.141 3518 N CA -0.048 53.005 53.050 0.005 0.000 0.864 3518 N CB 0.217 38.722 38.487 0.029 0.000 1.100 3518 N HN 0.463 nan 8.380 nan 0.000 0.510 3519 I N 0.542 121.075 120.570 -0.062 0.000 2.657 3519 I HA -0.319 3.837 4.170 -0.023 0.000 0.261 3519 I C 1.703 177.753 176.117 -0.112 0.000 1.212 3519 I CA 1.454 62.673 61.300 -0.135 0.000 1.453 3519 I CB 0.257 38.075 38.000 -0.304 0.000 1.092 3519 I HN 0.166 nan 8.210 nan 0.000 0.452 3520 Q N 0.928 120.680 119.800 -0.081 0.000 1.990 3520 Q HA -0.232 4.094 4.340 -0.023 0.000 0.200 3520 Q C 2.051 178.023 176.000 -0.047 0.000 0.980 3520 Q CA 2.287 58.049 55.803 -0.069 0.000 0.832 3520 Q CB -0.345 28.362 28.738 -0.052 0.000 0.897 3520 Q HN 0.693 nan 8.270 nan 0.000 0.427 3521 E N 0.032 120.216 120.200 -0.027 0.000 2.150 3521 E HA -0.124 4.212 4.350 -0.023 0.000 0.193 3521 E C 1.947 178.545 176.600 -0.002 0.000 0.985 3521 E CA 1.303 57.695 56.400 -0.013 0.000 0.814 3521 E CB -0.336 29.363 29.700 -0.003 0.000 0.752 3521 E HN 0.081 nan 8.360 nan 0.000 0.466 3522 V N 1.817 121.738 119.914 0.011 0.000 2.255 3522 V HA -0.306 3.800 4.120 -0.023 0.000 0.247 3522 V C 2.432 178.534 176.094 0.013 0.000 1.051 3522 V CA 2.250 64.574 62.300 0.040 0.000 1.018 3522 V CB -0.594 31.292 31.823 0.106 0.000 0.641 3522 V HN 0.306 nan 8.190 nan 0.000 0.445 3523 S N -0.190 115.493 115.700 -0.029 0.000 2.382 3523 S HA -0.103 4.353 4.470 -0.023 0.000 0.228 3523 S C 1.905 176.473 174.600 -0.053 0.000 1.027 3523 S CA 1.271 59.431 58.200 -0.066 0.000 0.991 3523 S CB -0.264 62.861 63.200 -0.125 0.000 0.823 3523 S HN 0.385 nan 8.310 nan 0.000 0.469 3524 I N 2.670 123.217 120.570 -0.039 0.000 2.252 3524 I HA -0.092 4.064 4.170 -0.023 0.000 0.245 3524 I C 1.926 178.038 176.117 -0.009 0.000 1.102 3524 I CA 1.071 62.355 61.300 -0.027 0.000 1.385 3524 I CB -1.590 36.397 38.000 -0.022 0.000 1.064 3524 I HN 0.234 nan 8.210 nan 0.000 0.414 3525 N N 1.131 119.830 118.700 -0.002 0.000 2.120 3525 N HA -0.121 4.605 4.740 -0.023 0.000 0.188 3525 N C 2.017 177.532 175.510 0.008 0.000 1.024 3525 N CA 1.188 54.244 53.050 0.010 0.000 0.852 3525 N CB -0.323 38.174 38.487 0.016 0.000 1.003 3525 N HN 0.328 nan 8.380 nan 0.000 0.424 3526 I N 0.995 121.565 120.570 -0.000 0.000 2.226 3526 I HA -0.257 3.899 4.170 -0.023 0.000 0.245 3526 I C 2.237 178.340 176.117 -0.022 0.000 1.100 3526 I CA 0.995 62.289 61.300 -0.011 0.000 1.374 3526 I CB -0.229 37.760 38.000 -0.018 0.000 1.057 3526 I HN 0.077 nan 8.210 nan 0.000 0.413 3527 A N 0.982 123.785 122.820 -0.027 0.000 1.883 3527 A HA -0.211 4.095 4.320 -0.023 0.000 0.217 3527 A C 2.274 179.870 177.584 0.020 0.000 1.186 3527 A CA 1.627 53.651 52.037 -0.022 0.000 0.624 3527 A CB -0.903 18.081 19.000 -0.028 0.000 0.822 3527 A HN 0.371 nan 8.150 nan 0.000 0.444 3528 I N -0.892 119.698 120.570 0.033 0.000 2.151 3528 I HA -0.285 3.871 4.170 -0.023 0.000 0.243 3528 I C 2.503 178.659 176.117 0.064 0.000 1.080 3528 I CA 1.917 63.255 61.300 0.063 0.000 1.339 3528 I CB -0.153 37.878 38.000 0.052 0.000 1.039 3528 I HN 0.193 nan 8.210 nan 0.000 0.409 3529 K N 0.157 120.583 120.400 0.044 0.000 2.211 3529 K HA -0.069 4.237 4.320 -0.023 0.000 0.203 3529 K C 1.744 178.384 176.600 0.067 0.000 1.050 3529 K CA 0.844 57.161 56.287 0.051 0.000 0.945 3529 K CB -0.006 32.513 32.500 0.032 0.000 0.732 3529 K HN 0.137 nan 8.250 nan 0.000 0.451 3530 V N -0.405 119.530 119.914 0.035 0.000 2.649 3530 V HA -0.135 3.971 4.120 -0.023 0.000 0.248 3530 V C 2.210 178.357 176.094 0.088 0.000 1.054 3530 V CA 1.897 64.213 62.300 0.028 0.000 1.073 3530 V CB -0.176 31.602 31.823 -0.075 0.000 0.699 3530 V HN 0.496 nan 8.190 nan 0.000 0.463 3531 T N -0.525 114.078 114.554 0.082 0.000 2.904 3531 T HA -0.169 4.167 4.350 -0.023 0.000 0.267 3531 T C 1.676 176.474 174.700 0.164 0.000 1.059 3531 T CA 1.665 63.826 62.100 0.102 0.000 1.137 3531 T CB -0.136 68.828 68.868 0.161 0.000 0.879 3531 T HN 0.624 nan 8.240 nan 0.000 0.467 3532 E N -0.566 119.726 120.200 0.153 0.000 2.072 3532 E HA -0.112 4.224 4.350 -0.023 0.000 0.191 3532 E C 1.869 178.540 176.600 0.118 0.000 0.985 3532 E CA 1.346 57.829 56.400 0.138 0.000 0.801 3532 E CB -0.344 29.413 29.700 0.096 0.000 0.750 3532 E HN 0.712 nan 8.360 nan 0.000 0.452 3533 Y N 1.646 121.958 120.300 0.020 0.000 2.181 3533 Y HA -0.203 4.345 4.550 -0.004 0.000 0.288 3533 Y C 2.025 177.913 175.900 -0.020 0.000 1.146 3533 Y CA 1.356 59.455 58.100 -0.002 0.000 1.164 3533 Y CB -0.134 38.312 38.460 -0.022 0.000 0.982 3533 Y HN -0.069 nan 8.280 nan 0.000 0.515 3534 L N -1.309 119.950 121.223 0.059 0.000 2.093 3534 L HA -0.243 4.083 4.340 -0.023 0.000 0.208 3534 L C 2.099 178.836 176.870 -0.223 0.000 1.085 3534 L CA 1.476 56.264 54.840 -0.086 0.000 0.755 3534 L CB -0.731 41.270 42.059 -0.097 0.000 0.904 3534 L HN 0.277 nan 8.230 nan 0.000 0.435 3535 Y N -0.385 119.842 120.300 -0.122 0.000 2.184 3535 Y HA -0.224 4.307 4.550 -0.033 0.000 0.290 3535 Y C 2.679 178.471 175.900 -0.180 0.000 1.129 3535 Y CA 1.010 59.020 58.100 -0.151 0.000 1.144 3535 Y CB -0.272 38.110 38.460 -0.130 0.000 0.995 3535 Y HN 0.125 nan 8.280 nan 0.000 0.513 3536 A N 0.309 123.113 122.820 -0.027 0.000 1.948 3536 A HA -0.223 4.083 4.320 -0.023 0.000 0.220 3536 A C 1.629 179.101 177.584 -0.187 0.000 1.177 3536 A CA 2.039 54.008 52.037 -0.113 0.000 0.636 3536 A CB -0.590 18.323 19.000 -0.144 0.000 0.815 3536 A HN 0.520 nan 8.150 nan 0.000 0.449 3537 N N -0.465 118.056 118.700 -0.299 0.000 2.268 3537 N HA 0.136 4.862 4.740 -0.023 0.000 0.204 3537 N C -0.555 174.849 175.510 -0.177 0.000 1.124 3537 N CA 0.303 53.191 53.050 -0.270 0.000 0.838 3537 N CB 0.298 38.531 38.487 -0.424 0.000 0.994 3537 N HN 0.320 nan 8.380 nan 0.000 0.489 3541 F N 1.008 120.885 119.950 -0.121 0.000 2.682 3541 F HA 0.292 4.812 4.527 -0.012 0.000 0.308 3541 F C 1.343 177.219 175.800 0.127 0.000 1.093 3541 F CA -0.159 57.850 58.000 0.014 0.000 1.244 3541 F CB 0.629 39.635 39.000 0.010 0.000 1.052 3541 F HN 0.583 nan 8.300 nan 0.000 0.573 3542 R N 2.188 122.822 120.500 0.224 0.000 2.449 3542 R HA 0.064 4.390 4.340 -0.023 0.000 0.296 3542 R C -1.235 175.258 176.300 0.322 0.000 1.047 3542 R CA 0.148 56.405 56.100 0.262 0.000 1.018 3542 R CB -0.130 30.310 30.300 0.233 0.000 0.962 3542 R HN 0.338 nan 8.270 nan 0.000 0.428 3543 Y N 3.947 124.330 120.300 0.139 0.000 2.446 3543 Y HA 0.680 5.216 4.550 -0.025 0.000 0.345 3543 Y C -2.386 173.556 175.900 0.069 0.000 0.984 3543 Y CA -2.408 55.745 58.100 0.089 0.000 1.058 3543 Y CB 0.992 39.498 38.460 0.076 0.000 1.220 3543 Y HN 0.485 nan 8.280 nan 0.000 0.455 3544 P HA 0.216 nan 4.420 nan 0.000 0.279 3544 P C -1.285 175.995 177.300 -0.033 0.000 1.276 3544 P CA -0.689 62.480 63.100 0.115 0.000 0.801 3544 P CB 1.125 32.868 31.700 0.072 0.000 1.127 3545 E N 0.856 120.969 120.200 -0.144 0.000 2.290 3545 E HA 0.187 4.523 4.350 -0.023 0.000 0.277 3545 E C -1.928 174.404 176.600 -0.447 0.000 1.035 3545 E CA -1.769 54.343 56.400 -0.480 0.000 0.873 3545 E CB -0.038 29.301 29.700 -0.603 0.000 1.029 3545 E HN 0.207 nan 8.360 nan 0.000 0.419 3546 P HA -0.004 nan 4.420 nan 0.000 0.267 3546 P C 0.077 177.198 177.300 -0.297 0.000 1.205 3546 P CA -0.068 62.799 63.100 -0.388 0.000 0.765 3546 P CB 0.882 32.244 31.700 -0.563 0.000 0.828 3547 E N 1.156 121.257 120.200 -0.165 0.000 2.112 3547 E HA -0.110 4.226 4.350 -0.023 0.000 0.190 3547 E C 0.037 176.583 176.600 -0.091 0.000 0.979 3547 E CA 1.174 57.498 56.400 -0.126 0.000 0.814 3547 E CB 0.072 29.725 29.700 -0.078 0.000 0.762 3547 E HN 0.424 nan 8.360 nan 0.000 0.460 3548 D N 0.092 120.461 120.400 -0.053 0.000 2.477 3548 D HA 0.114 4.740 4.640 -0.023 0.000 0.239 3548 D C 0.468 176.785 176.300 0.028 0.000 1.102 3548 D CA -0.269 53.724 54.000 -0.011 0.000 0.901 3548 D CB 0.734 41.540 40.800 0.010 0.000 1.026 3548 D HN -0.266 nan 8.370 nan 0.000 0.515 3549 K N 1.761 122.167 120.400 0.011 0.000 2.103 3549 K HA -0.085 4.221 4.320 -0.023 0.000 0.207 3549 K C 1.835 178.521 176.600 0.143 0.000 1.048 3549 K CA 1.416 57.748 56.287 0.075 0.000 0.930 3549 K CB -0.033 32.502 32.500 0.057 0.000 0.716 3549 K HN 0.433 nan 8.250 nan 0.000 0.444 3550 A N 1.222 124.093 122.820 0.085 0.000 1.858 3550 A HA -0.222 4.084 4.320 -0.023 0.000 0.216 3550 A C 1.935 179.564 177.584 0.075 0.000 1.190 3550 A CA 1.704 53.783 52.037 0.070 0.000 0.617 3550 A CB -0.387 18.638 19.000 0.041 0.000 0.827 3550 A HN 0.178 nan 8.150 nan 0.000 0.443 3551 K N -1.716 118.727 120.400 0.071 0.000 2.063 3551 K HA -0.203 4.103 4.320 -0.023 0.000 0.208 3551 K C 1.979 178.629 176.600 0.084 0.000 1.048 3551 K CA 1.847 58.170 56.287 0.060 0.000 0.928 3551 K CB -0.472 32.059 32.500 0.052 0.000 0.713 3551 K HN 0.623 nan 8.250 nan 0.000 0.442 3552 Y N 1.790 122.090 120.300 -0.000 0.000 2.081 3552 Y HA -0.308 4.232 4.550 -0.018 0.000 0.280 3552 Y C 2.087 177.997 175.900 0.017 0.000 1.163 3552 Y CA 1.464 59.570 58.100 0.009 0.000 1.135 3552 Y CB -0.476 37.994 38.460 0.017 0.000 0.970 3552 Y HN -0.232 nan 8.280 nan 0.000 0.498 3553 V N 0.796 120.751 119.914 0.069 0.000 2.261 3553 V HA -0.320 3.786 4.120 -0.023 0.000 0.246 3553 V C 2.241 178.290 176.094 -0.076 0.000 1.047 3553 V CA 2.462 64.743 62.300 -0.032 0.000 1.015 3553 V CB -0.645 31.224 31.823 0.076 0.000 0.642 3553 V HN 0.346 nan 8.190 nan 0.000 0.446 3554 K N -0.332 120.049 120.400 -0.031 0.000 2.211 3554 K HA -0.239 4.067 4.320 -0.023 0.000 0.204 3554 K C 2.125 178.689 176.600 -0.060 0.000 1.047 3554 K CA 1.563 57.828 56.287 -0.037 0.000 0.935 3554 K CB -0.147 32.343 32.500 -0.017 0.000 0.728 3554 K HN 0.517 nan 8.250 nan 0.000 0.452 3555 E N 0.688 120.839 120.200 -0.083 0.000 2.106 3555 E HA -0.113 4.223 4.350 -0.023 0.000 0.192 3555 E C 1.109 177.641 176.600 -0.113 0.000 0.984 3555 E CA 0.914 57.258 56.400 -0.093 0.000 0.806 3555 E CB 0.251 29.890 29.700 -0.103 0.000 0.750 3555 E HN 0.133 nan 8.360 nan 0.000 0.458 3556 R N 0.506 120.909 120.500 -0.161 0.000 2.480 3556 R HA 0.071 4.397 4.340 -0.023 0.000 0.277 3556 R C -0.214 176.051 176.300 -0.059 0.000 1.008 3556 R CA 0.154 56.173 56.100 -0.134 0.000 1.090 3556 R CB 0.488 30.653 30.300 -0.225 0.000 1.234 3556 R HN 0.063 nan 8.270 nan 0.000 0.549 3557 T N -2.607 111.922 114.554 -0.042 0.000 2.845 3557 T HA 0.140 4.476 4.350 -0.023 0.000 0.288 3557 T C -0.297 174.434 174.700 0.051 0.000 0.980 3557 T CA -0.854 61.251 62.100 0.008 0.000 1.071 3557 T CB 1.257 70.118 68.868 -0.011 0.000 0.941 3557 T HN 0.266 nan 8.240 nan 0.000 0.487 3558 W N 3.114 124.357 121.300 -0.095 0.000 2.181 3558 W HA 0.504 5.150 4.660 -0.024 0.000 0.335 3558 W C 0.192 176.647 176.519 -0.107 0.000 1.310 3558 W CA -0.504 56.783 57.345 -0.098 0.000 1.226 3558 W CB 0.556 29.944 29.460 -0.119 0.000 1.155 3558 W HN 0.651 nan 8.180 nan 0.000 0.565 3559 R N 1.979 122.008 120.500 -0.785 0.000 2.778 3559 R HA 0.257 4.583 4.340 -0.023 0.000 0.277 3559 R C 1.050 176.559 176.300 -1.318 0.000 0.977 3559 R CA 0.041 55.705 56.100 -0.726 0.000 0.950 3559 R CB 1.792 31.820 30.300 -0.453 0.000 1.165 3559 R HN 0.489 nan 8.270 nan 0.000 0.474 3560 S N 0.561 115.828 115.700 -0.722 0.000 2.593 3560 S HA 0.058 4.514 4.470 -0.023 0.000 0.217 3560 S C -0.174 174.148 174.600 -0.464 0.000 0.966 3560 S CA -0.164 57.711 58.200 -0.542 0.000 0.914 3560 S CB -0.097 63.029 63.200 -0.124 0.000 0.776 3560 S HN 0.491 nan 8.310 nan 0.000 0.523 3561 E N 1.669 121.610 120.200 -0.433 0.000 2.384 3561 E HA 0.113 4.449 4.350 -0.023 0.000 0.266 3561 E C -0.579 175.859 176.600 -0.270 0.000 1.012 3561 E CA -0.273 55.929 56.400 -0.329 0.000 0.901 3561 E CB 0.150 29.715 29.700 -0.225 0.000 0.967 3561 E HN 0.554 nan 8.360 nan 0.000 0.435 3562 Y N 1.124 121.336 120.300 -0.148 0.000 2.578 3562 Y HA -0.046 4.490 4.550 -0.023 0.000 0.339 3562 Y C 0.942 176.771 175.900 -0.119 0.000 1.231 3562 Y CA 0.094 58.115 58.100 -0.131 0.000 1.461 3562 Y CB 0.657 39.043 38.460 -0.124 0.000 1.323 3562 Y HN 0.326 nan 8.280 nan 0.000 0.590 3563 D N 0.343 120.801 120.400 0.095 0.000 2.268 3563 D HA 0.126 4.752 4.640 -0.023 0.000 0.249 3563 D C -0.659 175.660 176.300 0.032 0.000 1.008 3563 D CA -0.506 53.512 54.000 0.029 0.000 0.939 3563 D CB 1.746 42.557 40.800 0.018 0.000 1.170 3563 D HN 0.338 nan 8.370 nan 0.000 0.468 3564 S N 0.383 116.098 115.700 0.026 0.000 2.523 3564 S HA 0.231 4.686 4.470 -0.023 0.000 0.275 3564 S C 0.838 175.466 174.600 0.045 0.000 1.281 3564 S CA -0.535 57.684 58.200 0.031 0.000 1.050 3564 S CB 0.148 63.364 63.200 0.027 0.000 0.937 3564 S HN 0.338 nan 8.310 nan 0.000 0.492 3565 L N 4.800 126.062 121.223 0.065 0.000 2.769 3565 L HA 0.329 4.654 4.340 -0.023 0.000 0.240 3565 L C 0.012 176.920 176.870 0.062 0.000 1.163 3565 L CA -0.117 54.771 54.840 0.080 0.000 0.962 3565 L CB -0.167 41.976 42.059 0.139 0.000 1.258 3565 L HN 0.490 nan 8.230 nan 0.000 0.513 3566 L N 2.731 123.985 121.223 0.051 0.000 2.416 3566 L HA 0.183 4.509 4.340 -0.023 0.000 0.272 3566 L C -1.447 175.446 176.870 0.038 0.000 1.161 3566 L CA -1.458 53.405 54.840 0.039 0.000 0.845 3566 L CB 0.298 42.378 42.059 0.036 0.000 1.119 3566 L HN -0.028 nan 8.230 nan 0.000 0.464 3567 P HA 0.017 nan 4.420 nan 0.000 0.272 3567 P C -0.903 176.432 177.300 0.057 0.000 1.223 3567 P CA -0.458 62.663 63.100 0.035 0.000 0.784 3567 P CB 0.651 32.359 31.700 0.012 0.000 0.923 3568 D N 1.487 121.941 120.400 0.090 0.000 2.383 3568 D HA 0.148 4.774 4.640 -0.023 0.000 0.245 3568 D C -0.629 175.804 176.300 0.222 0.000 1.263 3568 D CA 0.082 54.181 54.000 0.165 0.000 0.936 3568 D CB -0.185 40.734 40.800 0.199 0.000 1.053 3568 D HN -0.064 nan 8.370 nan 0.000 0.507 3569 V N 5.802 125.817 119.914 0.167 0.000 2.398 3569 V HA 0.489 4.595 4.120 -0.023 0.000 0.286 3569 V C -0.469 175.737 176.094 0.188 0.000 1.026 3569 V CA -0.605 61.731 62.300 0.060 0.000 0.868 3569 V CB 0.784 32.602 31.823 -0.008 0.000 0.982 3569 V HN 0.396 nan 8.190 nan 0.000 0.443 3570 Y N 1.154 121.439 120.300 -0.026 0.000 2.558 3570 Y HA 0.721 5.257 4.550 -0.023 0.000 0.333 3570 Y C -0.688 175.215 175.900 0.005 0.000 1.125 3570 Y CA -1.398 56.708 58.100 0.011 0.000 1.039 3570 Y CB 1.185 39.680 38.460 0.058 0.000 1.331 3570 Y HN 0.494 nan 8.280 nan 0.000 0.456 3571 E N 1.755 122.058 120.200 0.171 0.000 2.354 3571 E HA 0.198 4.534 4.350 -0.023 0.000 0.269 3571 E C -1.407 175.396 176.600 0.338 0.000 1.036 3571 E CA -0.113 56.365 56.400 0.130 0.000 0.876 3571 E CB 0.576 30.345 29.700 0.114 0.000 1.009 3571 E HN 0.536 nan 8.360 nan 0.000 0.416 3572 W N 4.241 125.566 121.300 0.042 0.000 2.449 3572 W HA 0.332 4.978 4.660 -0.024 0.000 0.331 3572 W C -1.462 175.084 176.519 0.044 0.000 1.119 3572 W CA -2.357 55.026 57.345 0.063 0.000 1.240 3572 W CB -0.086 29.387 29.460 0.021 0.000 1.251 3572 W HN 0.542 nan 8.180 nan 0.000 0.576 3573 P HA 0.000 nan 4.420 nan 0.000 0.216 3573 P CA 0.000 63.164 63.100 0.107 0.000 0.800 3573 P CB 0.000 31.724 31.700 0.041 0.000 0.726