#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kka s VAL 904 N 0.00 1.39 -0.99 1.61 -7.23 -1.26 -4.75 120.40 109.16 3kka s VAL 904 Ca 0.00 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3kka s VAL 904 Cb 0.00 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.67 3kka s VAL 904 CO 0.00 -0.05 0.17 -0.81 -0.31 0.00 0.00 175.10 174.10 3kka n PRO 905 N 1.46 0.34 -4.84 4.82 -0.04 -1.26 -4.64 135.00 130.83 3kka n PRO 905 Ca -0.19 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.94 3kka n PRO 905 Cb 0.54 -1.17 -0.14 0.00 -0.04 0.00 0.00 33.50 32.69 3kka n PRO 905 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3kka s PHE 906 N -0.99 2.76 0.10 0.54 0.40 -1.26 -5.02 117.98 114.50 3kka s PHE 906 Ca 0.00 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 55.82 3kka s PHE 906 Cb 0.00 -1.77 -0.24 0.00 0.51 0.00 0.00 43.02 41.51 3kka s PHE 906 CO 0.00 -0.11 1.21 0.07 0.70 0.00 0.00 175.22 177.09 3kka h ARG 907 N 6.31 0.13 -4.89 0.44 -0.00 -1.96 -3.48 114.38 110.92 3kka h ARG 907 Ca -0.31 -0.22 -0.35 0.00 -0.00 0.00 0.00 59.98 59.10 3kka h ARG 907 Cb 1.20 0.08 -0.14 0.00 -0.00 0.00 0.00 29.97 31.10 3kka h ARG 907 CO 0.53 1.10 -0.62 0.95 -0.00 0.00 0.00 179.97 181.94 3kka s THR 908 N -2.68 0.58 0.30 0.08 -4.23 -1.26 -4.90 115.64 103.52 3kka s THR 908 Ca -0.01 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3kka s THR 908 Cb 0.09 -2.60 0.19 0.00 1.34 0.00 0.00 72.50 71.51 3kka s THR 908 CO 0.85 -0.04 1.88 0.58 -0.54 0.00 0.00 174.62 177.36 3kka h VAL 909 N 2.40 1.21 -0.23 2.29 2.07 -1.91 -2.67 116.25 119.41 3kka h VAL 909 Ca -0.38 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 66.51 3kka h VAL 909 Cb 1.24 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 3kka h VAL 909 CO 0.61 0.26 0.00 -1.28 0.02 0.00 0.00 177.57 177.19 3kka h SER 910 N 0.81 -0.08 -0.18 0.57 0.87 -1.96 -0.72 113.55 112.86 3kka h SER 910 Ca 0.19 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3kka h SER 910 Cb 0.18 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3kka h SER 910 CO -0.02 -0.01 0.12 -0.33 -0.53 0.00 0.00 176.83 176.06 3kka h GLU 911 N 0.08 0.25 -0.16 2.24 4.39 -1.90 0.12 114.58 119.59 3kka h GLU 911 Ca 0.11 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.84 3kka h GLU 911 Cb 0.13 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 3kka h GLU 911 CO -0.18 0.18 -0.18 2.35 -1.16 0.00 0.00 179.01 180.02 3kka h TRP 912 N 0.24 -0.45 -0.25 4.33 7.01 -1.40 -2.22 115.95 123.20 3kka h TRP 912 Ca 0.07 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.99 3kka h TRP 912 Cb -0.01 0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.26 3kka h TRP 912 CO -0.06 -0.25 -0.29 -0.07 -2.79 0.00 0.00 178.44 174.98 3kka h LEU 913 N -0.21 0.51 -0.89 0.65 3.38 -0.70 -2.72 115.31 115.33 3kka h LEU 913 Ca 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3kka h LEU 913 Cb 0.37 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3kka h LEU 913 CO -0.28 0.78 0.50 -0.33 0.09 0.00 0.00 178.44 179.20 3kka h GLU 914 N 0.43 1.23 0.00 1.13 5.08 -0.51 0.21 114.58 122.16 3kka h GLU 914 Ca 0.06 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3kka h GLU 914 Cb 0.73 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3kka h GLU 914 CO 0.06 0.88 0.00 -1.13 -1.00 0.00 0.00 179.01 177.82 3kka n SER 915 N -4.36 0.47 -0.04 1.42 3.41 -0.86 -0.41 113.62 113.25 3kka n SER 915 Ca 0.09 0.67 0.03 0.00 -0.26 0.00 0.00 58.87 59.40 3kka n SER 915 Cb 0.08 -0.75 0.04 0.00 -0.26 0.00 0.00 64.21 63.33 3kka n SER 915 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3kka n ILE 916 N -2.08 1.25 -3.71 -1.33 -5.35 -0.97 -5.01 119.36 102.15 3kka n ILE 916 Ca 0.01 -1.35 -0.26 0.00 -0.27 0.00 0.00 62.75 60.87 3kka n ILE 916 Cb 0.11 0.29 0.06 0.00 -1.74 0.00 0.00 39.64 38.37 3kka n ILE 916 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kka n LYS 917 N -0.73 -7.09 -0.67 6.28 5.02 0.45 -4.92 118.16 116.50 3kka n LYS 917 Ca 0.05 0.74 0.06 0.00 -2.02 0.00 0.00 58.31 57.14 3kka n LYS 917 Cb 0.37 -5.74 0.17 0.00 -0.02 0.00 0.00 35.03 29.80 3kka n LYS 917 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kka n MET 918 N -4.90 1.28 0.29 1.97 2.81 0.68 -4.80 117.12 114.46 3kka n MET 918 Ca 0.02 -2.97 0.18 0.00 -1.81 0.00 0.00 57.70 53.11 3kka n MET 918 Cb 0.55 -1.34 0.81 0.00 -0.71 0.00 0.00 33.22 32.52 3kka n MET 918 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 3kka h GLN 919 N 0.86 0.00 0.00 0.03 -0.00 -1.88 -1.80 115.11 112.31 3kka h GLN 919 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 3kka h GLN 919 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.62 3kka h GLN 919 CO 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 178.83 178.88 3kka n GLN 920 N -3.18 0.02 0.00 0.06 0.00 -1.26 -1.87 117.38 111.16 3kka n GLN 920 Ca -0.01 0.36 0.10 0.00 0.00 0.00 0.00 57.00 57.46 3kka n GLN 920 Cb 0.25 -1.50 0.08 0.00 0.00 0.00 0.00 30.24 29.07 3kka n GLN 920 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3kka n TYR 921 N -1.42 0.00 -0.24 2.61 4.02 -0.68 -4.63 117.16 116.82 3kka n TYR 921 Ca 0.01 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.95 3kka n TYR 921 Cb 0.04 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 39.53 3kka n TYR 921 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3kka h THR 922 N 3.92 0.57 -0.72 -0.72 2.02 -1.54 -1.08 112.91 115.36 3kka h THR 922 Ca 0.00 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3kka h THR 922 Cb 0.85 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3kka h THR 922 CO 0.00 0.06 0.32 -0.33 0.37 0.00 0.00 175.52 175.94 3kka h GLU 923 N 0.31 1.03 -0.53 6.66 4.39 -1.83 -0.75 114.58 123.86 3kka h GLU 923 Ca 0.40 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.96 3kka h GLU 923 Cb 0.66 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 3kka h GLU 923 CO -0.47 0.81 0.35 0.45 -1.16 0.00 0.00 179.01 178.99 3kka h HIS 924 N 1.02 0.66 0.11 4.33 3.86 -1.52 0.54 115.15 124.15 3kka h HIS 924 Ca 0.25 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3kka h HIS 924 Cb 0.14 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 3kka h HIS 924 CO 0.01 0.41 -0.10 0.74 0.86 0.00 0.00 177.93 179.85 3kka h PHE 925 N 0.71 -0.26 -0.52 2.45 -1.00 -1.14 -2.60 116.94 114.59 3kka h PHE 925 Ca 0.20 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.92 3kka h PHE 925 Cb -0.06 0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 3kka h PHE 925 CO -0.04 -0.16 0.08 0.52 -1.61 0.00 0.00 178.31 177.11 3kka h MET 926 N -0.23 0.85 0.00 1.51 2.86 -0.47 -0.14 114.93 119.31 3kka h MET 926 Ca 0.00 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 3kka h MET 926 Cb 0.22 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 3kka h MET 926 CO -0.02 0.84 -0.10 0.00 1.06 0.00 0.00 176.91 178.69 3kka h ALA 927 N 0.98 1.51 -0.01 6.32 0.00 0.05 -1.21 119.26 126.91 3kka h ALA 927 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kka h ALA 927 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kka h ALA 927 CO 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.38 3kka n ALA 928 N -2.38 2.59 -0.49 0.00 0.00 -0.70 -4.91 120.51 114.62 3kka n ALA 928 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3kka n ALA 928 Cb 0.19 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3kka n ALA 928 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kka n GLY 929 N 1.18 0.75 2.76 0.00 0.00 -0.45 -4.99 105.19 104.44 3kka n GLY 929 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3kka n GLY 929 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kka n TYR 930 N -2.49 2.92 0.92 1.61 4.02 -0.15 -4.72 117.16 119.27 3kka n TYR 930 Ca 0.00 -2.83 0.12 0.00 -0.01 0.00 0.00 57.90 55.19 3kka n TYR 930 Cb 0.00 -2.03 0.24 0.00 -0.02 0.00 0.00 39.34 37.53 3kka n TYR 930 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3kka n THR 931 N 3.30 0.17 -3.92 -0.72 -2.24 -1.26 -4.11 114.28 105.50 3kka n THR 931 Ca 0.46 -0.51 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 3kka n THR 931 Cb 0.34 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.52 3kka n THR 931 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kka s ALA 932 N -1.83 -0.10 0.31 6.98 0.00 -1.26 -4.81 121.76 121.06 3kka s ALA 932 Ca 0.33 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3kka s ALA 932 Cb 0.21 0.21 0.64 0.00 0.00 0.00 0.00 23.12 24.17 3kka s ALA 932 CO 0.31 -0.28 1.86 0.82 0.00 0.00 0.00 175.76 178.47 3kka h ILE 933 N 3.90 0.91 0.00 0.00 1.08 -1.89 -1.61 117.51 119.90 3kka h ILE 933 Ca -0.32 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.84 3kka h ILE 933 Cb 1.19 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 3kka h ILE 933 CO 0.47 0.16 0.00 -1.84 -0.69 0.00 0.00 178.15 176.26 3kka n GLU 934 N -4.58 0.19 -0.03 2.37 0.28 -1.26 -2.09 120.64 115.52 3kka n GLU 934 Ca 0.18 0.50 -0.10 0.00 -0.16 0.00 0.00 57.16 57.58 3kka n GLU 934 Cb 0.37 -1.92 -0.14 0.00 1.43 0.00 0.00 31.44 31.18 3kka n GLU 934 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3kka n LYS 935 N -2.28 0.65 0.06 3.44 5.02 -0.62 -4.23 118.16 120.20 3kka n LYS 935 Ca 0.01 0.26 -0.07 0.00 -2.02 0.00 0.00 58.31 56.48 3kka n LYS 935 Cb 0.17 -1.75 0.08 0.00 -0.02 0.00 0.00 35.03 33.50 3kka n LYS 935 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 3kka h VAL 936 N 0.01 1.37 -0.18 -0.18 -1.51 -1.27 -2.86 116.25 111.63 3kka h VAL 936 Ca -0.33 -2.00 0.05 0.00 -1.23 0.00 0.00 66.70 63.20 3kka h VAL 936 Cb 2.04 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 33.18 3kka h VAL 936 CO 0.07 0.60 0.22 0.58 -1.23 0.00 0.00 177.57 177.81 3kka h VAL 937 N 0.26 0.41 -0.01 7.19 2.07 -1.68 0.17 116.25 124.65 3kka h VAL 937 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3kka h VAL 937 Cb 1.17 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3kka h VAL 937 CO 0.11 0.00 -0.10 1.67 0.02 0.00 0.00 177.57 179.26 3kka n GLN 938 N -3.70 0.88 -3.05 1.57 0.00 -1.08 -4.85 117.38 107.16 3kka n GLN 938 Ca 0.02 -0.35 -0.28 0.00 -0.00 0.00 0.00 57.00 56.39 3kka n GLN 938 Cb 0.34 -1.49 -0.02 0.00 0.00 0.00 0.00 30.24 29.06 3kka n GLN 938 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3kka s MET 939 N -2.36 3.62 0.50 3.69 0.23 0.58 -5.09 119.30 120.47 3kka s MET 939 Ca 0.32 0.11 0.09 0.00 -1.03 0.00 0.00 55.69 55.17 3kka s MET 939 Cb 0.20 -2.52 0.05 0.00 -1.53 0.00 0.00 34.83 31.03 3kka s MET 939 CO 0.45 0.04 0.67 0.95 -2.03 0.00 0.00 175.02 175.09 3kka s THR 940 N -2.36 2.55 0.26 3.16 -4.23 -1.26 -4.97 115.64 108.78 3kka s THR 940 Ca 0.46 -1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 3kka s THR 940 Cb -0.10 -2.56 0.13 0.00 1.34 0.00 0.00 72.50 71.30 3kka s THR 940 CO 0.35 0.00 1.78 0.78 -0.54 0.00 0.00 174.62 176.99 3kka h ASN 941 N 0.43 0.79 -0.99 3.99 2.35 -1.98 -1.60 115.58 118.57 3kka h ASN 941 Ca -0.35 -0.17 0.21 0.00 -0.55 0.00 0.00 56.30 55.44 3kka h ASN 941 Cb 1.28 -0.21 -0.12 0.00 0.05 0.00 0.00 38.32 39.33 3kka h ASN 941 CO 0.43 0.82 0.58 -0.78 -1.65 0.00 0.00 177.43 176.84 3kka h ASP 942 N 0.79 0.70 -0.10 5.81 1.82 -2.00 -1.82 116.42 121.62 3kka h ASP 942 Ca 0.16 0.12 -0.15 0.00 -0.39 0.00 0.00 57.03 56.77 3kka h ASP 942 Cb 0.39 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 3kka h ASP 942 CO 0.01 0.18 -0.46 0.44 -1.61 0.00 0.00 179.24 177.81 3kka h ASP 943 N 0.66 0.71 -0.40 2.28 3.32 -1.67 -1.76 116.42 119.56 3kka h ASP 943 Ca 0.60 -0.34 0.07 0.00 0.02 0.00 0.00 57.03 57.38 3kka h ASP 943 Cb 1.04 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.33 3kka h ASP 943 CO -0.43 1.06 0.03 0.40 -1.72 0.00 0.00 179.24 178.58 3kka h ILE 944 N 0.53 0.74 0.01 0.35 2.04 -1.12 -1.39 117.51 118.67 3kka h ILE 944 Ca 0.03 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3kka h ILE 944 Cb 1.00 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3kka h ILE 944 CO 0.09 0.03 -0.00 0.50 0.00 0.00 0.00 178.15 178.77 3kka h LYS 945 N 0.15 -0.01 -0.94 2.37 1.63 -1.50 -2.71 116.57 115.56 3kka h LYS 945 Ca 0.19 0.00 0.24 0.00 -0.85 0.00 0.00 60.65 60.23 3kka h LYS 945 Cb 0.26 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 31.76 3kka h LYS 945 CO -0.29 0.12 0.46 0.00 -3.45 0.00 0.00 179.45 176.28 3kka h ARG 946 N -0.13 0.42 -0.00 1.90 -0.00 -0.80 0.05 114.38 115.81 3kka h ARG 946 Ca -0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 3kka h ARG 946 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.00 3kka h ARG 946 CO 0.00 0.28 -0.00 0.44 0.00 0.00 0.00 179.97 180.68 3kka n ILE 947 N -5.01 0.00 0.00 2.04 -5.35 -0.57 -4.87 119.36 105.60 3kka n ILE 947 Ca 0.24 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.70 3kka n ILE 947 Cb 0.71 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 3kka n ILE 947 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kka n GLY 948 N 1.06 1.26 3.48 3.28 0.00 0.00 -4.79 105.19 109.47 3kka n GLY 948 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 3kka n GLY 948 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kka s VAL 949 N -2.00 4.44 -0.13 1.61 1.01 -1.03 -4.87 120.40 119.44 3kka s VAL 949 Ca 0.00 -0.15 0.15 0.00 0.00 0.00 0.00 61.98 61.98 3kka s VAL 949 Cb 0.00 -4.57 -0.21 0.00 0.00 0.00 0.00 36.38 31.60 3kka s VAL 949 CO 0.00 -1.22 0.12 0.54 0.00 0.00 0.00 175.10 174.53 3kka n ARG 950 N 7.36 1.23 -2.08 2.72 1.74 -1.26 -4.17 116.66 122.19 3kka n ARG 950 Ca -0.02 -0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.60 3kka n ARG 950 Cb 0.46 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 3kka n ARG 950 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kka s LEU 951 N -4.98 4.36 0.11 0.55 1.43 -1.26 -4.91 118.68 113.98 3kka s LEU 951 Ca -0.08 2.39 -0.24 0.00 -1.03 0.00 0.00 54.13 55.17 3kka s LEU 951 Cb 0.06 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.63 3kka s LEU 951 CO 0.66 -0.74 1.67 -0.65 0.23 0.00 0.00 176.35 177.52 3kka h PRO 952 N 7.16 -0.28 -0.72 1.29 0.11 -2.00 -0.83 132.00 136.73 3kka h PRO 952 Ca -0.42 0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.80 3kka h PRO 952 Cb 1.20 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.31 3kka h PRO 952 CO 0.89 -0.19 0.36 0.78 -0.21 0.00 0.00 178.00 179.64 3kka h GLY 953 N -0.29 1.08 1.02 -0.55 0.00 -2.00 -2.70 103.07 99.62 3kka h GLY 953 Ca 0.05 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 3kka h GLY 953 CO -0.15 0.07 0.13 0.45 0.00 0.00 0.00 176.54 177.04 3kka h HIS 954 N 0.62 1.01 0.10 5.60 3.86 -1.80 -1.84 115.15 122.69 3kka h HIS 954 Ca 0.35 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3kka h HIS 954 Cb 0.36 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3kka h HIS 954 CO -0.10 0.86 -0.09 1.96 0.86 0.00 0.00 177.93 181.42 3kka h GLN 955 N 0.86 -0.20 -0.48 2.45 4.20 -0.98 -1.91 115.11 119.07 3kka h GLN 955 Ca 0.18 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.92 3kka h GLN 955 Cb 0.37 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3kka h GLN 955 CO 0.00 -0.13 0.30 0.87 -0.67 0.00 0.00 178.83 179.20 3kka h LYS 956 N -0.20 0.59 -0.58 1.46 1.57 -1.43 0.11 116.57 118.09 3kka h LYS 956 Ca 0.00 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3kka h LYS 956 Cb 0.19 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3kka h LYS 956 CO -0.02 0.39 0.29 -0.09 -0.57 0.00 0.00 179.45 179.45 3kka h ARG 957 N 0.61 0.53 -0.09 3.15 9.65 -1.26 -0.32 114.38 126.65 3kka h ARG 957 Ca 0.18 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.91 3kka h ARG 957 Cb -0.03 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.43 3kka h ARG 957 CO -0.06 0.35 -0.40 0.82 2.80 0.00 0.00 179.97 183.48 3kka h ILE 958 N 0.54 1.40 -0.91 1.20 2.04 -0.94 -2.42 117.51 118.42 3kka h ILE 958 Ca 0.27 -1.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 3kka h ILE 958 Cb 0.21 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 3kka h ILE 958 CO -0.20 0.52 0.54 0.00 0.00 0.00 0.00 178.15 179.00 3kka h ALA 959 N 0.45 1.17 0.17 1.87 0.00 -0.57 0.14 119.26 122.49 3kka h ALA 959 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kka h ALA 959 Cb 1.05 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3kka h ALA 959 CO 0.08 0.64 -0.08 -0.92 0.00 0.00 0.00 179.25 178.97 3kka h TYR 960 N 1.26 -0.22 -0.65 0.00 3.20 -1.06 -0.39 116.97 119.11 3kka h TYR 960 Ca 0.33 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.24 3kka h TYR 960 Cb -0.03 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 3kka h TYR 960 CO 0.01 0.01 0.37 1.03 -1.64 0.00 0.00 178.16 177.94 3kka h SER 961 N -0.41 0.57 -0.84 -2.11 0.87 -1.11 -2.44 113.55 108.08 3kka h SER 961 Ca -0.02 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3kka h SER 961 Cb 0.32 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.13 3kka h SER 961 CO 0.04 0.38 0.52 0.25 -0.53 0.00 0.00 176.83 177.49 3kka h LEU 962 N 0.70 0.81 -0.62 2.23 6.46 -0.60 -1.67 115.31 122.64 3kka h LEU 962 Ca 0.28 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 58.13 3kka h LEU 962 Cb 0.14 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 39.85 3kka h LEU 962 CO -0.16 0.52 0.31 0.25 -0.62 0.00 0.00 178.44 178.74 3kka h LEU 963 N 0.95 0.42 -0.60 2.25 5.85 -0.60 -1.56 115.31 122.02 3kka h LEU 963 Ca 0.36 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 3kka h LEU 963 Cb 0.16 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3kka h LEU 963 CO -0.17 0.27 0.35 1.23 -0.34 0.00 0.00 178.44 179.78 3kka h GLY 964 N 0.56 0.88 0.99 3.75 0.00 -1.06 -2.32 103.07 105.89 3kka h GLY 964 Ca 0.29 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.25 3kka h GLY 964 CO -0.21 0.37 0.57 1.41 0.00 0.00 0.00 176.54 178.67 3kka h LEU 965 N 0.81 0.98 -0.64 3.11 3.38 -0.73 -2.71 115.31 119.51 3kka h LEU 965 Ca 0.21 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 3kka h LEU 965 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3kka h LEU 965 CO -0.04 0.70 -0.36 0.11 0.09 0.00 0.00 178.44 178.95 3kka h LYS 966 N 1.15 0.67 0.00 1.13 1.57 -1.14 -2.33 116.57 117.63 3kka h LYS 966 Ca 0.32 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3kka h LYS 966 Cb -0.12 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3kka h LYS 966 CO -0.07 0.93 -0.25 0.22 -0.57 0.00 0.00 179.45 179.70 3kka h ASP 967 N 0.56 0.00 0.06 0.86 3.58 -1.24 0.34 116.42 120.58 3kka h ASP 967 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3kka h ASP 967 Cb 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 3kka h ASP 967 CO 0.08 0.25 -0.47 0.00 -2.88 0.00 0.00 179.24 176.22 3kka n GLN 968 N -3.94 0.99 -0.04 0.28 10.64 -1.01 -4.39 117.38 119.91 3kka n GLN 968 Ca -0.02 -0.77 -0.05 0.00 -1.83 0.00 0.00 57.00 54.33 3kka n GLN 968 Cb 0.33 -1.48 -0.07 0.00 -0.86 0.00 0.00 30.24 28.16 3kka n GLN 968 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 3kka n VAL 969 N -0.33 0.60 0.86 -0.39 3.14 -0.91 -4.93 118.33 116.38 3kka n VAL 969 Ca 0.09 -0.35 0.10 0.00 -2.96 0.00 0.00 64.34 61.23 3kka n VAL 969 Cb 0.43 -0.79 0.09 0.00 -1.06 0.00 0.00 33.84 32.51 3kka n VAL 969 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96