#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kka s ILE 913 N 0.00 3.35 -1.34 -0.61 1.01 -1.26 -4.95 121.20 117.40 3kka s ILE 913 Ca 0.00 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.18 3kka s ILE 913 Cb 0.00 -2.42 0.35 0.00 0.01 0.00 0.00 42.46 40.40 3kka s ILE 913 CO 0.00 0.52 1.18 -0.81 0.00 0.00 0.00 174.94 175.83 3kka n PRO 914 N 3.42 2.33 -4.51 2.79 -0.04 -1.26 -4.83 135.00 132.90 3kka n PRO 914 Ca -0.18 -1.38 -0.21 0.00 -0.04 0.00 0.00 63.50 61.69 3kka n PRO 914 Cb 0.53 -1.56 -0.15 0.00 -0.04 0.00 0.00 33.50 32.27 3kka n PRO 914 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kka s TYR 915 N -1.68 1.06 -0.02 0.54 2.02 -1.26 -5.03 117.35 112.98 3kka s TYR 915 Ca 0.25 -0.22 -0.25 0.00 -0.37 0.00 0.00 57.07 56.47 3kka s TYR 915 Cb 0.16 -0.70 -0.19 0.00 -0.40 0.00 0.00 41.96 40.83 3kka s TYR 915 CO 0.12 -0.04 1.26 0.00 -1.57 0.00 0.00 175.55 175.31 3kka h ARG 916 N 5.99 -0.06 -5.92 -0.62 -0.00 -1.95 -3.47 114.38 108.34 3kka h ARG 916 Ca -0.33 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.64 3kka h ARG 916 Cb 1.17 0.01 -0.18 0.00 0.00 0.00 0.00 29.97 30.97 3kka h ARG 916 CO 0.49 0.38 -0.78 0.95 0.00 0.00 0.00 179.97 181.01 3kka s THR 917 N -4.33 1.80 0.23 2.04 -4.23 -1.26 -4.81 115.64 105.08 3kka s THR 917 Ca -0.15 -1.90 -0.06 0.00 -1.18 0.00 0.00 61.69 58.40 3kka s THR 917 Cb 0.02 -1.82 0.19 0.00 1.34 0.00 0.00 72.50 72.23 3kka s THR 917 CO 0.64 -0.31 1.75 0.58 -0.54 0.00 0.00 174.62 176.75 3kka h VAL 918 N 3.29 0.76 -0.88 2.29 2.07 -1.91 -1.39 116.25 120.48 3kka h VAL 918 Ca -0.42 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3kka h VAL 918 Cb 1.20 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 3kka h VAL 918 CO 0.51 0.09 0.54 -1.28 0.02 0.00 0.00 177.57 177.45 3kka h SER 919 N 0.51 1.05 -0.14 0.57 0.87 -1.96 -1.31 113.55 113.14 3kka h SER 919 Ca 0.37 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.81 3kka h SER 919 Cb 0.48 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3kka h SER 919 CO -0.33 0.80 -0.16 -0.08 -0.53 0.00 0.00 176.83 176.53 3kka h GLU 920 N 1.21 0.36 -0.36 2.24 4.81 -1.87 -1.75 114.58 119.23 3kka h GLU 920 Ca 0.32 -0.20 0.07 0.00 -0.13 0.00 0.00 59.36 59.42 3kka h GLU 920 Cb -0.07 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.24 3kka h GLU 920 CO -0.06 0.76 -0.36 2.35 -0.73 0.00 0.00 179.01 180.96 3kka h TRP 921 N -0.02 -1.02 -0.53 0.92 7.01 -1.14 -2.04 115.95 119.13 3kka h TRP 921 Ca 0.02 0.06 -0.10 0.00 2.11 0.00 0.00 58.89 60.98 3kka h TRP 921 Cb 0.70 0.50 -0.02 0.00 -2.10 0.00 0.00 29.16 28.24 3kka h TRP 921 CO 0.09 -0.41 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.20 3kka h LEU 922 N -0.30 0.92 -0.99 0.65 3.38 -1.16 -1.30 115.31 116.50 3kka h LEU 922 Ca 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3kka h LEU 922 Cb 0.56 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3kka h LEU 922 CO -0.52 1.01 0.46 -0.08 0.09 0.00 0.00 178.44 179.39 3kka h GLU 923 N 0.85 1.16 -0.29 1.13 4.57 -1.27 0.97 114.58 121.70 3kka h GLU 923 Ca 0.15 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3kka h GLU 923 Cb 0.58 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 3kka h GLU 923 CO 0.03 0.85 0.14 0.77 -1.18 0.00 0.00 179.01 179.62 3kka h SER 924 N 1.17 0.35 -0.52 1.04 0.02 -0.49 -2.00 113.55 113.11 3kka h SER 924 Ca 0.30 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3kka h SER 924 Cb 0.03 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3kka h SER 924 CO -0.05 0.30 0.00 2.30 -1.14 0.00 0.00 176.83 178.24 3kka n ILE 925 N -4.44 1.90 -3.51 3.27 -5.35 -0.98 -4.95 119.36 105.30 3kka n ILE 925 Ca 0.01 -1.33 -0.23 0.00 -0.27 0.00 0.00 62.75 60.93 3kka n ILE 925 Cb 0.11 0.07 0.07 0.00 -1.74 0.00 0.00 39.64 38.15 3kka n ILE 925 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3kka n ARG 926 N 0.67 -7.52 -0.47 6.28 5.12 -0.69 -4.90 116.66 115.15 3kka n ARG 926 Ca 0.23 0.83 0.07 0.00 -1.93 0.00 0.00 57.85 57.04 3kka n ARG 926 Cb 0.86 -5.82 0.13 0.00 -1.16 0.00 0.00 32.46 26.47 3kka n ARG 926 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3kka n MET 927 N -4.83 1.05 -0.07 5.56 2.81 0.33 -4.77 117.12 117.19 3kka n MET 927 Ca -0.00 -2.52 0.24 0.00 -1.81 0.00 0.00 57.70 53.60 3kka n MET 927 Cb 0.57 -1.22 0.70 0.00 -0.71 0.00 0.00 33.22 32.56 3kka n MET 927 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3kka h LYS 928 N 0.44 0.00 -0.03 0.03 3.64 -1.81 -1.97 116.57 116.87 3kka h LYS 928 Ca -0.03 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3kka h LYS 928 Cb 1.16 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3kka h LYS 928 CO 0.01 0.00 0.50 0.07 -2.27 0.00 0.00 179.45 177.76 3kka h ARG 929 N 0.00 0.00 -0.67 1.90 0.11 -1.91 -1.26 114.38 112.54 3kka h ARG 929 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 3kka h ARG 929 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 3kka h ARG 929 CO -0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 3kka n TYR 930 N -2.84 0.89 -0.08 4.08 4.02 -0.74 -4.62 117.16 117.88 3kka n TYR 930 Ca -0.01 -0.45 -0.07 0.00 -0.01 0.00 0.00 57.90 57.37 3kka n TYR 930 Cb 0.54 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.86 3kka n TYR 930 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 3kka h ILE 931 N 4.17 0.46 -0.63 -0.72 6.09 -1.42 -2.11 117.51 123.34 3kka h ILE 931 Ca 0.00 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.56 3kka h ILE 931 Cb 0.95 0.46 -0.06 0.00 0.47 0.00 0.00 36.82 38.64 3kka h ILE 931 CO 0.00 0.00 0.32 0.25 -3.07 0.00 0.00 178.15 175.65 3kka h LEU 932 N -0.16 0.44 -0.72 2.19 5.85 -1.85 -0.96 115.31 120.11 3kka h LEU 932 Ca 0.16 0.04 0.12 0.00 0.84 0.00 0.00 57.88 59.05 3kka h LEU 932 Cb 0.41 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 3kka h LEU 932 CO -0.41 0.28 0.30 0.45 -0.34 0.00 0.00 178.44 178.72 3kka h HIS 933 N 0.58 0.52 -0.26 1.25 3.86 -1.73 0.45 115.15 119.83 3kka h HIS 933 Ca 0.29 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.49 3kka h HIS 933 Cb 0.24 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 3kka h HIS 933 CO -0.10 0.11 -0.02 0.74 0.86 0.00 0.00 177.93 179.51 3kka h PHE 934 N 0.47 0.51 -0.65 2.45 -1.00 -0.76 -2.19 116.94 115.77 3kka h PHE 934 Ca 0.38 -0.10 0.12 0.00 2.81 0.00 0.00 57.97 61.18 3kka h PHE 934 Cb 0.52 -0.13 -0.09 0.00 3.61 0.00 0.00 35.95 39.86 3kka h PHE 934 CO -0.15 0.65 0.19 1.25 -1.61 0.00 0.00 178.31 178.63 3kka h HIS 935 N 0.23 0.32 -0.36 -0.55 2.76 -0.54 0.89 115.15 117.90 3kka h HIS 935 Ca 0.07 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.19 3kka h HIS 935 Cb 0.46 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 3kka h HIS 935 CO 0.04 0.01 -0.13 0.77 -1.30 0.00 0.00 177.93 177.32 3kka h SER 936 N 0.33 0.62 0.11 3.26 0.02 0.08 -0.96 113.55 117.01 3kka h SER 936 Ca 0.35 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3kka h SER 936 Cb 0.51 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3kka h SER 936 CO -0.40 0.78 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 3kka n ALA 937 N -2.48 2.48 -1.95 3.77 0.00 -0.84 -4.89 120.51 116.59 3kka n ALA 937 Ca 0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 3kka n ALA 937 Cb 0.35 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 3kka n ALA 937 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kka n GLY 938 N 0.77 0.31 3.29 0.00 0.00 -0.37 -4.95 105.19 104.25 3kka n GLY 938 Ca 0.19 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 3kka n GLY 938 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kka n LEU 939 N -1.57 5.66 -0.05 0.99 4.32 0.27 -4.77 117.00 121.84 3kka n LEU 939 Ca -0.13 -4.96 -0.02 0.00 -0.02 0.00 0.00 56.01 50.88 3kka n LEU 939 Cb 0.54 -1.47 -0.15 0.00 -1.62 0.00 0.00 43.42 40.71 3kka n LEU 939 CO 0.17 1.30 -0.90 0.47 -1.22 0.00 0.00 177.39 177.21 3kka n ASP 940 N 2.99 0.14 -4.64 -1.43 8.00 -1.26 -4.27 116.55 116.08 3kka n ASP 940 Ca 0.27 0.06 -0.25 0.00 0.71 0.00 0.00 54.79 55.59 3kka n ASP 940 Cb 0.39 1.16 -0.08 0.00 -0.02 0.00 0.00 41.12 42.57 3kka n ASP 940 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3kka s THR 941 N -2.86 3.51 0.37 -3.53 -4.23 -1.26 -4.46 115.64 103.17 3kka s THR 941 Ca -0.08 -1.72 0.06 0.00 -1.18 0.00 0.00 61.69 58.76 3kka s THR 941 Cb 0.09 -2.82 0.29 0.00 1.34 0.00 0.00 72.50 71.39 3kka s THR 941 CO 0.85 -0.26 1.99 0.24 -0.54 0.00 0.00 174.62 176.90 3kka h MET 942 N 2.27 0.71 -0.35 3.99 2.86 -1.92 -1.71 114.93 120.77 3kka h MET 942 Ca -0.46 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.24 3kka h MET 942 Cb 1.23 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 3kka h MET 942 CO 0.59 0.47 0.26 1.49 1.06 0.00 0.00 176.91 180.78 3kka h GLU 943 N 0.73 0.00 -0.00 1.72 4.81 -1.98 -2.64 114.58 117.22 3kka h GLU 943 Ca 0.27 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 3kka h GLU 943 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3kka h GLU 943 CO -0.08 0.00 -0.50 0.00 -0.73 0.00 0.00 179.01 177.70 3kka n VAL 945 N -3.95 0.08 0.18 0.00 0.24 -0.99 -4.20 118.33 109.69 3kka n VAL 945 Ca -0.02 -0.05 0.15 0.00 -2.04 0.00 0.00 64.34 62.39 3kka n VAL 945 Cb 0.51 -0.09 0.75 0.00 -1.47 0.00 0.00 33.84 33.54 3kka n VAL 945 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3kka h LEU 946 N 0.00 0.00 -2.34 1.34 3.38 -1.67 -2.31 115.31 113.71 3kka h LEU 946 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kka h LEU 946 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3kka h LEU 946 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.74 3kka n GLU 947 N -4.16 2.28 -2.05 1.13 4.07 -1.26 -5.01 120.64 115.64 3kka n GLU 947 Ca 0.02 -2.09 -0.40 0.00 -0.06 0.00 0.00 57.16 54.64 3kka n GLU 947 Cb 0.30 -1.42 -0.01 0.00 -0.06 0.00 0.00 31.44 30.26 3kka n GLU 947 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3kka s LEU 948 N -1.25 4.25 0.34 4.31 1.43 -0.87 -5.04 118.68 121.84 3kka s LEU 948 Ca 0.32 2.67 0.09 0.00 -1.03 0.00 0.00 54.13 56.18 3kka s LEU 948 Cb 0.18 -3.86 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 3kka s LEU 948 CO 0.25 -0.81 -0.09 0.42 0.23 0.00 0.00 176.35 176.35 3kka s THR 949 N -1.24 2.18 0.28 5.49 -4.23 -1.26 -5.01 115.64 111.86 3kka s THR 949 Ca 0.56 -2.20 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 3kka s THR 949 Cb -0.38 -2.62 0.27 0.00 1.34 0.00 0.00 72.50 71.11 3kka s THR 949 CO 0.50 -0.22 1.74 0.00 -0.54 0.00 0.00 174.62 176.10 3kka h ALA 950 N 2.06 1.44 -0.55 3.99 0.00 -1.96 -1.76 119.26 122.47 3kka h ALA 950 Ca -0.42 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3kka h ALA 950 Cb 1.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3kka h ALA 950 CO 0.70 -0.18 0.03 0.93 0.00 0.00 0.00 179.25 180.72 3kka h GLU 951 N 0.57 0.93 -0.19 0.00 3.07 -1.97 -1.27 114.58 115.72 3kka h GLU 951 Ca 0.53 -0.26 0.03 0.00 -0.50 0.00 0.00 59.36 59.16 3kka h GLU 951 Cb 0.88 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.66 3kka h GLU 951 CO -0.43 0.91 0.02 -0.44 -1.40 0.00 0.00 179.01 177.66 3kka h ASP 952 N 0.86 -0.04 -0.74 1.42 3.32 -1.74 -1.62 116.42 117.89 3kka h ASP 952 Ca 0.17 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.26 3kka h ASP 952 Cb 0.47 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 3kka h ASP 952 CO 0.02 0.01 0.49 -0.07 -1.72 0.00 0.00 179.24 177.97 3kka h LEU 953 N 0.08 0.84 -0.56 1.55 3.38 -1.03 -0.03 115.31 119.55 3kka h LEU 953 Ca 0.09 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.12 3kka h LEU 953 Cb 0.10 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3kka h LEU 953 CO -0.14 0.61 0.19 0.74 0.09 0.00 0.00 178.44 179.94 3kka h THR 954 N 1.00 0.79 0.00 0.22 2.02 -1.05 0.63 112.91 116.52 3kka h THR 954 Ca 0.27 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 3kka h THR 954 Cb -0.11 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3kka h THR 954 CO -0.06 0.07 -0.15 1.56 0.37 0.00 0.00 175.52 177.31 3kka h GLN 955 N 0.37 0.00 -0.01 6.66 1.08 -0.07 0.13 115.11 123.27 3kka h GLN 955 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3kka h GLN 955 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3kka h GLN 955 CO -0.29 0.15 -0.00 -1.33 -0.95 0.00 0.00 178.83 176.41 3kka n MET 956 N -3.60 1.29 -1.06 1.46 2.81 -0.27 -4.92 117.12 112.83 3kka n MET 956 Ca -0.01 -0.44 -0.02 0.00 -1.81 0.00 0.00 57.70 55.41 3kka n MET 956 Cb 0.28 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.29 3kka n MET 956 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kka n GLY 957 N 1.09 0.55 3.26 3.03 0.00 0.45 -4.90 105.19 108.67 3kka n GLY 957 Ca 0.21 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.84 3kka n GLY 957 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kka s ILE 958 N -2.08 5.04 -0.05 -0.61 1.01 0.12 -4.84 121.20 119.80 3kka s ILE 958 Ca 0.00 -2.59 0.04 0.00 0.00 0.00 0.00 60.65 58.10 3kka s ILE 958 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 3kka s ILE 958 CO 0.00 -0.98 0.10 0.35 0.00 0.00 0.00 174.94 174.41 3kka n THR 959 N 3.86 0.00 -1.62 2.92 -2.24 -1.26 -3.05 114.28 112.89 3kka n THR 959 Ca 0.11 -0.17 -0.45 0.00 -2.27 0.00 0.00 64.05 61.27 3kka n THR 959 Cb 0.44 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 3kka n THR 959 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kka n LEU 960 N -1.49 3.43 -0.25 3.22 4.77 -1.26 -4.91 117.00 120.51 3kka n LEU 960 Ca -0.00 0.64 0.06 0.00 -0.03 0.00 0.00 56.01 56.67 3kka n LEU 960 Cb 0.09 -1.46 0.18 0.00 -2.33 0.00 0.00 43.42 39.90 3kka n LEU 960 CO 0.08 -0.27 0.89 -0.65 -1.33 0.00 0.00 177.39 176.11 3kka h PRO 961 N 11.88 0.19 -0.92 3.23 0.11 -1.99 0.89 132.00 145.38 3kka h PRO 961 Ca -0.44 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.68 3kka h PRO 961 Cb 1.26 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 3kka h PRO 961 CO 0.96 0.13 0.61 0.78 -0.21 0.00 0.00 178.00 180.26 3kka h GLY 962 N 0.20 1.32 0.89 -0.55 0.00 -1.99 -0.14 103.07 102.80 3kka h GLY 962 Ca 0.42 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 3kka h GLY 962 CO -0.57 0.43 -0.34 0.45 0.00 0.00 0.00 176.54 176.51 3kka h HIS 963 N 1.21 0.71 -0.16 5.60 3.86 -1.53 -0.51 115.15 124.32 3kka h HIS 963 Ca 0.35 -0.25 0.04 0.00 -1.16 0.00 0.00 60.37 59.36 3kka h HIS 963 Cb -0.07 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.22 3kka h HIS 963 CO -0.01 0.98 -0.13 1.96 0.86 0.00 0.00 177.93 181.59 3kka h GLN 964 N 0.24 -0.14 -0.52 2.45 4.20 -0.69 -1.82 115.11 118.83 3kka h GLN 964 Ca 0.01 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.79 3kka h GLN 964 Cb 0.93 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.69 3kka h GLN 964 CO 0.08 -0.09 0.22 -0.22 -0.67 0.00 0.00 178.83 178.15 3kka h LYS 965 N -0.14 0.42 -0.29 1.46 3.64 -1.00 0.96 116.57 121.62 3kka h LYS 965 Ca 0.10 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3kka h LYS 965 Cb 0.29 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3kka h LYS 965 CO -0.25 0.28 0.17 -0.09 -2.27 0.00 0.00 179.45 177.29 3kka h ARG 966 N 0.43 0.35 -0.06 1.90 9.65 -0.71 -0.76 114.38 125.18 3kka h ARG 966 Ca 0.24 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.08 3kka h ARG 966 Cb 0.22 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 3kka h ARG 966 CO -0.21 0.23 -0.05 0.82 2.80 0.00 0.00 179.97 183.55 3kka h ILE 967 N 0.36 1.37 -0.37 1.20 2.04 -0.99 -2.52 117.51 118.59 3kka h ILE 967 Ca 0.11 -1.19 -0.12 0.00 1.00 0.00 0.00 64.86 64.67 3kka h ILE 967 Cb -0.01 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3kka h ILE 967 CO -0.05 0.32 -0.25 -0.07 0.00 0.00 0.00 178.15 178.11 3kka h LEU 968 N -0.30 0.76 -1.08 1.44 3.38 -0.78 -2.43 115.31 116.30 3kka h LEU 968 Ca 0.01 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 3kka h LEU 968 Cb 0.55 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3kka h LEU 968 CO 0.01 0.98 0.03 0.00 0.09 0.00 0.00 178.44 179.55 3kka h SER 970 N 0.65 1.01 -0.00 0.00 0.87 -1.24 -1.68 113.55 113.16 3kka h SER 970 Ca 0.14 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3kka h SER 970 Cb 0.36 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3kka h SER 970 CO 0.01 0.88 -0.00 0.40 -0.53 0.00 0.00 176.83 177.58 3kka h ILE 971 N 1.08 1.26 -0.35 2.23 2.04 -1.00 -2.14 117.51 120.63 3kka h ILE 971 Ca 0.26 -0.78 0.10 0.00 1.00 0.00 0.00 64.86 65.44 3kka h ILE 971 Cb 0.15 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3kka h ILE 971 CO -0.03 0.20 0.40 1.56 0.00 0.00 0.00 178.15 180.29 3kka h GLN 972 N -0.32 0.00 -0.00 2.37 4.20 -1.03 -1.06 115.11 119.27 3kka h GLN 972 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kka h GLN 972 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3kka h GLN 972 CO 0.00 0.00 -0.25 0.41 -0.67 0.00 0.00 178.83 178.32 3kka n GLY 973 N -1.46 -0.94 0.00 3.46 0.00 -0.64 -5.10 105.19 100.51 3kka n GLY 973 Ca 0.06 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.77 3kka n GLY 973 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01