#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkp h HIS 898 N 0.00 1.06 -0.91 1.61 -0.00 -2.05 -1.26 115.15 113.60 1nkp h HIS 898 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.46 1nkp h HIS 898 Cb 0.00 -0.34 -0.06 0.00 -0.00 0.00 0.00 27.41 27.01 1nkp h HIS 898 CO 0.00 0.51 0.59 0.52 -0.00 0.00 0.00 177.93 179.55 1nkp h MET 899 N 1.01 1.02 -0.26 5.26 0.00 -2.05 0.17 114.93 120.09 1nkp h MET 899 Ca 0.42 -0.06 -0.16 0.00 0.00 0.00 0.00 59.70 59.90 1nkp h MET 899 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 31.60 31.62 1nkp h MET 899 CO -0.20 0.68 -0.47 -0.97 0.00 0.00 0.00 176.91 175.94 1nkp h ASN 900 N 1.05 0.75 -0.32 1.22 -1.24 -1.70 -1.15 115.58 114.20 1nkp h ASN 900 Ca 0.38 -0.37 -0.04 0.00 0.71 0.00 0.00 56.30 56.98 1nkp h ASN 900 Cb 0.16 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1nkp h ASN 900 CO -0.14 1.10 0.04 0.58 -1.29 0.00 0.00 177.43 177.72 1nkp h VAL 901 N 0.55 1.24 -0.85 2.57 2.07 -0.58 -1.76 116.25 119.48 1nkp h VAL 901 Ca 0.03 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1nkp h VAL 901 Cb 1.03 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1nkp h VAL 901 CO 0.10 0.28 0.51 0.11 0.02 0.00 0.00 177.57 178.60 1nkp h LYS 902 N 0.37 1.16 -0.15 1.57 1.79 -0.59 0.03 116.57 120.74 1nkp h LYS 902 Ca 0.10 -0.10 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1nkp h LYS 902 Cb 0.38 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1nkp h LYS 902 CO 0.01 0.81 0.08 -0.09 -1.08 0.00 0.00 179.45 179.18 1nkp h ARG 903 N 1.17 0.16 -0.60 3.15 2.43 -1.02 -0.56 114.38 119.12 1nkp h ARG 903 Ca 0.31 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1nkp h ARG 903 Cb -0.05 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1nkp h ARG 903 CO -0.06 0.11 0.17 -0.09 -1.51 0.00 0.00 179.97 178.59 1nkp h ARG 904 N 0.17 0.91 -0.51 0.20 2.43 -0.88 -1.45 114.38 115.24 1nkp h ARG 904 Ca 0.06 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1nkp h ARG 904 Cb 0.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1nkp h ARG 904 CO -0.04 0.79 0.05 1.15 -1.51 0.00 0.00 179.97 180.42 1nkp h THR 905 N 0.88 1.26 -0.51 0.20 2.02 -0.64 -1.92 112.91 114.20 1nkp h THR 905 Ca 0.20 -1.00 0.01 0.00 0.77 0.00 0.00 66.41 66.39 1nkp h THR 905 Cb 0.28 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1nkp h THR 905 CO -0.01 0.35 0.32 -0.74 0.37 0.00 0.00 175.52 175.82 1nkp h HIS 906 N 0.74 0.60 -0.19 3.16 -0.00 -0.67 -0.28 115.15 118.52 1nkp h HIS 906 Ca 0.15 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1nkp h HIS 906 Cb 0.45 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1nkp h HIS 906 CO 0.03 0.36 0.10 -0.91 -0.00 0.00 0.00 177.93 177.52 1nkp h ASN 907 N 0.65 0.24 -0.40 3.26 -0.26 -1.08 -1.70 115.58 116.29 1nkp h ASN 907 Ca 0.19 -0.09 -0.13 0.00 -0.56 0.00 0.00 56.30 55.71 1nkp h ASN 907 Cb -0.03 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 1nkp h ASN 907 CO -0.07 0.26 -0.23 -0.37 -1.06 0.00 0.00 177.43 175.97 1nkp h VAL 908 N 0.19 1.27 -0.35 2.81 -1.51 -1.15 -1.44 116.25 116.07 1nkp h VAL 908 Ca 0.07 -1.38 -0.16 0.00 -1.23 0.00 0.00 66.70 63.99 1nkp h VAL 908 Cb 0.08 1.17 -0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1nkp h VAL 908 CO -0.01 0.47 -0.41 -0.07 -1.23 0.00 0.00 177.57 176.32 1nkp h LEU 909 N 0.78 0.98 -0.62 4.19 3.38 -1.01 -2.21 115.31 120.79 1nkp h LEU 909 Ca 0.10 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 1nkp h LEU 909 Cb 0.79 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1nkp h LEU 909 CO 0.07 1.26 -0.23 -0.08 0.09 0.00 0.00 178.44 179.55 1nkp h GLU 910 N 0.71 0.84 -0.48 1.13 4.57 -1.31 -0.67 114.58 119.37 1nkp h GLU 910 Ca 0.05 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 1nkp h GLU 910 Cb 1.01 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 1nkp h GLU 910 CO 0.10 0.99 0.25 -0.09 -1.18 0.00 0.00 179.01 179.08 1nkp h ARG 911 N 0.73 0.68 -0.71 1.92 2.43 -1.19 0.05 114.38 118.30 1nkp h ARG 911 Ca 0.10 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1nkp h ARG 911 Cb 0.76 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1nkp h ARG 911 CO 0.06 0.55 0.21 1.96 -1.51 0.00 0.00 179.97 181.24 1nkp h GLN 912 N 0.64 1.11 -0.55 0.20 1.08 -1.23 -1.45 115.11 114.90 1nkp h GLN 912 Ca 0.17 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1nkp h GLN 912 Cb 0.08 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 1nkp h GLN 912 CO -0.02 0.96 0.31 -0.09 -0.95 0.00 0.00 178.83 179.04 1nkp h ARG 913 N 1.05 0.76 -0.20 1.46 2.43 -0.57 -0.38 114.38 118.92 1nkp h ARG 913 Ca 0.23 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1nkp h ARG 913 Cb 0.32 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1nkp h ARG 913 CO -0.00 0.57 -0.01 0.00 -1.51 0.00 0.00 179.97 179.02 1nkp h ARG 914 N 0.74 0.05 -0.73 0.20 3.08 -0.68 -0.23 114.38 116.82 1nkp h ARG 914 Ca 0.19 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.33 1nkp h ARG 914 Cb 0.02 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.00 1nkp h ARG 914 CO -0.03 0.04 0.39 -0.91 -1.07 0.00 0.00 179.97 178.38 1nkp h ASN 915 N 0.06 0.54 -0.50 7.04 2.35 -0.62 -0.09 115.58 124.34 1nkp h ASN 915 Ca 0.09 0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 1nkp h ASN 915 Cb 0.12 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1nkp h ASN 915 CO -0.17 0.32 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.48 1nkp h GLU 916 N 0.67 0.99 -0.89 0.81 5.08 -0.60 -2.24 114.58 118.39 1nkp h GLU 916 Ca 0.35 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1nkp h GLU 916 Cb 0.32 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1nkp h GLU 916 CO -0.24 1.04 0.48 1.25 -1.00 0.00 0.00 179.01 180.55 1nkp h LEU 917 N 0.88 1.12 -1.19 1.33 5.85 -0.07 -1.02 115.31 122.22 1nkp h LEU 917 Ca 0.14 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1nkp h LEU 917 Cb 0.68 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1nkp h LEU 917 CO 0.05 0.90 0.28 0.50 -0.34 0.00 0.00 178.44 179.83 1nkp h LYS 918 N 1.25 0.85 -0.25 1.25 3.64 -0.76 -0.15 116.57 122.39 1nkp h LYS 918 Ca 0.31 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1nkp h LYS 918 Cb 0.04 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1nkp h LYS 918 CO -0.05 0.66 0.15 0.00 -2.27 0.00 0.00 179.45 177.94 1nkp h ARG 919 N 0.85 0.34 -0.79 1.90 2.47 -0.68 -0.85 114.38 117.62 1nkp h ARG 919 Ca 0.21 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 1nkp h ARG 919 Cb 0.10 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.31 1nkp h ARG 919 CO -0.03 0.28 0.45 0.77 0.56 0.00 0.00 179.97 182.00 1nkp h SER 920 N 0.31 0.98 -0.08 7.04 0.02 -0.53 -0.91 113.55 120.37 1nkp h SER 920 Ca 0.09 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nkp h SER 920 Cb 0.03 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 1nkp h SER 920 CO -0.02 0.78 0.05 -0.26 -1.14 0.00 0.00 176.83 176.24 1nkp h PHE 921 N 1.09 0.10 -0.94 3.45 -1.00 -0.54 -1.86 116.94 117.25 1nkp h PHE 921 Ca 0.28 0.00 0.03 0.00 2.81 0.00 0.00 57.97 61.09 1nkp h PHE 921 Cb 0.01 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 39.48 1nkp h PHE 921 CO -0.00 0.07 0.62 0.74 -1.61 0.00 0.00 178.31 178.12 1nkp h PHE 922 N 0.10 1.16 -0.67 -0.55 0.04 -0.86 0.47 116.94 116.62 1nkp h PHE 922 Ca 0.03 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 1nkp h PHE 922 Cb -0.00 -0.39 -0.03 0.00 2.20 0.00 0.00 35.95 37.73 1nkp h PHE 922 CO -0.07 0.68 0.41 0.00 -0.60 0.00 0.00 178.31 178.73 1nkp h ALA 923 N 1.37 0.86 -0.23 2.45 0.00 -0.90 -1.39 119.26 121.42 1nkp h ALA 923 Ca 0.37 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1nkp h ALA 923 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1nkp h ALA 923 CO -0.11 0.33 -0.12 1.25 0.00 0.00 0.00 179.25 180.60 1nkp h LEU 924 N 0.92 0.51 -1.08 0.00 5.85 -0.79 -2.97 115.31 117.75 1nkp h LEU 924 Ca 0.24 -0.42 0.14 0.00 0.84 0.00 0.00 57.88 58.69 1nkp h LEU 924 Cb -0.03 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 1nkp h LEU 924 CO -0.05 0.81 0.62 -0.09 -0.34 0.00 0.00 178.44 179.39 1nkp h ARG 925 N 0.21 0.85 0.00 1.25 2.43 -0.65 0.27 114.38 118.74 1nkp h ARG 925 Ca 0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1nkp h ARG 925 Cb 0.63 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1nkp h ARG 925 CO 0.04 0.57 0.00 -0.25 -1.51 0.00 0.00 179.97 178.81 1nkp n ASP 926 N -4.63 0.11 -0.76 -3.80 10.43 -0.55 -2.04 116.55 115.31 1nkp n ASP 926 Ca 0.19 0.53 0.11 0.00 2.57 0.00 0.00 54.79 58.20 1nkp n ASP 926 Cb 0.42 -0.55 0.06 0.00 1.84 0.00 0.00 41.12 42.88 1nkp n ASP 926 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 1nkp n GLN 927 N -1.63 1.85 -3.59 -1.24 -0.06 0.08 -4.86 117.38 107.93 1nkp n GLN 927 Ca 0.02 -1.53 -0.40 0.00 -2.00 0.00 0.00 57.00 53.09 1nkp n GLN 927 Cb 0.12 -1.46 -0.11 0.00 -4.06 0.00 0.00 30.24 24.73 1nkp n GLN 927 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1nkp s ILE 928 N -2.16 4.71 0.21 1.69 1.01 -0.87 -4.99 121.20 120.81 1nkp s ILE 928 Ca 0.24 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 1nkp s ILE 928 Cb 0.19 -3.55 0.24 0.00 0.01 0.00 0.00 42.46 39.36 1nkp s ILE 928 CO 0.40 -0.13 1.62 -0.65 0.00 0.00 0.00 174.94 176.18 1nkp h PRO 929 N 8.44 0.00 0.00 2.79 0.11 -1.89 -0.54 132.00 140.91 1nkp h PRO 929 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1nkp h PRO 929 Cb 1.12 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1nkp h PRO 929 CO 0.66 0.00 0.20 1.49 -0.21 0.00 0.00 178.00 180.13 1nkp h GLU 930 N 0.00 0.00 -0.45 1.05 4.81 -1.94 -0.79 114.58 117.25 1nkp h GLU 930 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1nkp h GLU 930 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1nkp h GLU 930 CO -0.66 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 178.90 1nkp n LEU 931 N -2.65 4.48 -0.34 1.64 4.32 -0.21 -4.78 117.00 119.47 1nkp n LEU 931 Ca -0.02 -2.73 -0.04 0.00 -0.02 0.00 0.00 56.01 53.20 1nkp n LEU 931 Cb 0.24 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 1nkp n LEU 931 CO 0.13 0.71 0.57 -0.08 -1.22 0.00 0.00 177.39 177.49 1nkp h GLU 932 N 2.99 -0.06 -1.30 3.23 4.81 -1.19 -2.33 114.58 120.73 1nkp h GLU 932 Ca 0.00 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.62 1nkp h GLU 932 Cb 1.50 0.01 -0.39 0.00 0.63 0.00 0.00 28.75 30.51 1nkp h GLU 932 CO 0.27 -0.04 -0.30 0.09 -0.73 0.00 0.00 179.01 178.30 1nkp n ASN 933 N -5.42 5.55 -3.18 1.04 3.02 -1.26 -4.74 115.26 110.27 1nkp n ASN 933 Ca 0.07 -3.76 -0.20 0.00 -0.03 0.00 0.00 54.58 50.66 1nkp n ASN 933 Cb 0.36 -0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 1nkp n ASN 933 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1nkp n ASN 934 N -0.61 0.91 0.25 6.41 4.05 -0.88 -4.93 115.26 120.47 1nkp n ASN 934 Ca 0.46 -2.97 0.17 0.00 0.45 0.00 0.00 54.58 52.69 1nkp n ASN 934 Cb 0.69 -0.62 0.78 0.00 1.23 0.00 0.00 39.78 41.86 1nkp n ASN 934 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1nkp h GLU 935 N 3.29 0.00 -0.57 1.20 4.11 -1.85 -2.19 114.58 118.56 1nkp h GLU 935 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1nkp h GLU 935 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1nkp h GLU 935 CO 0.51 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.22 1nkp n LYS 936 N -2.83 2.37 -1.64 1.06 5.02 -1.26 -4.97 118.16 115.91 1nkp n LYS 936 Ca -0.00 -2.12 -0.50 0.00 -2.02 0.00 0.00 58.31 53.67 1nkp n LYS 936 Cb 0.20 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 1nkp n LYS 936 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nkp n ALA 937 N 1.23 0.08 -0.69 7.82 0.00 -0.83 -4.91 120.51 123.21 1nkp n ALA 937 Ca 0.20 0.46 -0.30 0.00 0.00 0.00 0.00 53.44 53.80 1nkp n ALA 937 Cb 0.50 -2.22 0.19 0.00 0.00 0.00 0.00 19.45 17.92 1nkp n ALA 937 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nkp s PRO 938 N 1.21 0.52 0.21 0.00 0.04 -1.26 -4.74 135.00 130.98 1nkp s PRO 938 Ca 0.84 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 63.11 1nkp s PRO 938 Cb -0.85 -1.69 0.30 0.00 0.04 0.00 0.00 34.50 32.31 1nkp s PRO 938 CO 0.46 -2.90 1.75 0.87 0.04 0.00 0.00 177.00 177.22 1nkp h LYS 939 N -2.05 0.42 -0.11 4.56 1.57 -2.00 -1.93 116.57 117.03 1nkp h LYS 939 Ca -0.49 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.22 1nkp h LYS 939 Cb 1.29 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1nkp h LYS 939 CO 0.45 0.28 -0.17 -0.24 -0.57 0.00 0.00 179.45 179.20 1nkp h VAL 940 N 0.44 1.18 -0.07 0.50 3.04 -2.00 -1.42 116.25 117.93 1nkp h VAL 940 Ca 0.32 -0.83 -0.19 0.00 -1.01 0.00 0.00 66.70 64.99 1nkp h VAL 940 Cb 0.40 1.30 -0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1nkp h VAL 940 CO -0.31 0.25 -0.76 0.58 -1.01 0.00 0.00 177.57 176.32 1nkp h VAL 941 N 0.17 1.38 -0.50 1.51 2.07 -1.74 -1.58 116.25 117.55 1nkp h VAL 941 Ca 0.03 -2.18 -0.04 0.00 0.82 0.00 0.00 66.70 65.33 1nkp h VAL 941 Cb 0.41 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1nkp h VAL 941 CO 0.03 0.66 0.15 0.40 0.02 0.00 0.00 177.57 178.82 1nkp h ILE 942 N 0.29 1.23 0.94 4.57 2.04 -0.77 -1.20 117.51 124.61 1nkp h ILE 942 Ca -0.04 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 1nkp h ILE 942 Cb 1.35 0.80 0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1nkp h ILE 942 CO 0.13 0.29 -0.46 -0.07 0.00 0.00 0.00 178.15 178.04 1nkp h LEU 943 N 0.68 -1.09 -0.98 1.44 3.38 -1.16 0.25 115.31 117.83 1nkp h LEU 943 Ca 0.16 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.27 1nkp h LEU 943 Cb 0.29 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 1nkp h LEU 943 CO -0.00 -0.77 0.61 0.11 0.09 0.00 0.00 178.44 178.48 1nkp h LYS 944 N -1.27 0.98 0.00 1.13 1.57 -1.27 -1.31 116.57 116.40 1nkp h LYS 944 Ca -0.13 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.41 1nkp h LYS 944 Cb 0.98 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1nkp h LYS 944 CO 0.21 0.65 -0.87 0.87 -0.57 0.00 0.00 179.45 179.73 1nkp h LYS 945 N 1.00 0.00 -0.47 3.15 1.57 -1.18 -1.18 116.57 119.46 1nkp h LYS 945 Ca 0.47 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.13 1nkp h LYS 945 Cb 0.40 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1nkp h LYS 945 CO -0.24 0.87 -0.17 0.00 -0.57 0.00 0.00 179.45 179.33 1nkp h ALA 946 N 1.13 0.79 -0.04 3.86 0.00 -0.37 -0.37 119.26 124.25 1nkp h ALA 946 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1nkp h ALA 946 Cb 1.56 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1nkp h ALA 946 CO 0.11 0.66 0.01 1.15 0.00 0.00 0.00 179.25 181.18 1nkp h THR 947 N 0.81 1.22 -0.35 0.00 2.02 -1.16 -0.90 112.91 114.54 1nkp h THR 947 Ca 0.12 -0.65 0.04 0.00 0.77 0.00 0.00 66.41 66.68 1nkp h THR 947 Cb 0.72 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 1nkp h THR 947 CO 0.06 0.18 0.13 0.00 0.37 0.00 0.00 175.52 176.25 1nkp h ALA 948 N 0.75 0.41 -0.85 6.16 0.00 -1.09 -1.64 119.26 123.00 1nkp h ALA 948 Ca 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nkp h ALA 948 Cb 0.28 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1nkp h ALA 948 CO 0.00 -0.27 0.53 -0.92 0.00 0.00 0.00 179.25 178.60 1nkp h TYR 949 N 0.28 1.10 -0.38 0.00 3.20 -0.91 -1.95 116.97 118.31 1nkp h TYR 949 Ca 0.16 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1nkp h TYR 949 Cb 0.13 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 1nkp h TYR 949 CO -0.14 0.72 0.13 0.82 -1.64 0.00 0.00 178.16 178.06 1nkp h ILE 950 N 1.16 1.20 -0.59 1.81 2.04 -0.74 -1.69 117.51 120.71 1nkp h ILE 950 Ca 0.31 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1nkp h ILE 950 Cb -0.08 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1nkp h ILE 950 CO -0.06 0.23 0.37 -0.07 0.00 0.00 0.00 178.15 178.62 1nkp h LEU 951 N 0.47 0.69 -0.74 1.44 4.07 -1.01 -1.56 115.31 118.67 1nkp h LEU 951 Ca 0.12 -0.03 -0.13 0.00 0.08 0.00 0.00 57.88 57.93 1nkp h LEU 951 Cb 0.22 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1nkp h LEU 951 CO -0.01 0.52 -0.46 0.77 -1.08 0.00 0.00 178.44 178.18 1nkp h SER 952 N 0.80 0.43 -0.04 -0.43 4.64 -0.88 -1.87 113.55 116.21 1nkp h SER 952 Ca 0.21 -0.20 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1nkp h SER 952 Cb -0.06 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1nkp h SER 952 CO -0.04 0.83 -0.48 0.58 -0.87 0.00 0.00 176.83 176.85 1nkp h VAL 953 N 0.33 1.31 -0.12 0.95 2.07 -0.57 -0.17 116.25 120.04 1nkp h VAL 953 Ca 0.02 -1.68 -0.05 0.00 0.82 0.00 0.00 66.70 65.81 1nkp h VAL 953 Cb 0.93 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1nkp h VAL 953 CO 0.08 0.53 -0.12 1.56 0.02 0.00 0.00 177.57 179.63 1nkp h GLN 954 N 0.48 0.30 -0.59 1.57 4.20 -1.17 -1.48 115.11 118.42 1nkp h GLN 954 Ca 0.03 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1nkp h GLN 954 Cb 1.01 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1nkp h GLN 954 CO 0.09 0.70 0.31 0.00 -0.67 0.00 0.00 178.83 179.26 1nkp h ALA 955 N 0.59 1.43 0.00 3.87 0.00 -1.34 -0.56 119.26 123.25 1nkp h ALA 955 Ca 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1nkp h ALA 955 Cb 0.65 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1nkp h ALA 955 CO 0.03 0.46 -0.17 1.49 0.00 0.00 0.00 179.25 181.06 1nkp h GLU 956 N 0.83 0.00 0.12 0.00 4.81 -0.80 -1.85 114.58 117.69 1nkp h GLU 956 Ca 0.21 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.14 1nkp h GLU 956 Cb 0.05 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.46 1nkp h GLU 956 CO -0.03 0.17 -1.25 1.49 -0.73 0.00 0.00 179.01 178.66 1nkp h GLU 957 N 0.00 0.62 -0.17 1.92 4.81 -0.05 -2.65 114.58 119.07 1nkp h GLU 957 Ca -0.00 -0.83 -0.01 0.00 -0.13 0.00 0.00 59.36 58.39 1nkp h GLU 957 Cb 0.34 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1nkp h GLU 957 CO 0.02 1.38 0.05 1.96 -0.73 0.00 0.00 179.01 181.69 1nkp h GLN 958 N 0.28 0.23 -0.01 1.92 1.08 -0.76 -0.02 115.11 117.82 1nkp h GLN 958 Ca -0.19 -0.02 -0.19 0.00 -1.45 0.00 0.00 58.65 56.80 1nkp h GLN 958 Cb 1.92 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 29.32 1nkp h GLN 958 CO 0.24 0.21 -0.72 -0.22 -0.95 0.00 0.00 178.83 177.39 1nkp h LYS 959 N 0.23 0.51 -0.29 1.46 3.64 -1.35 -2.75 116.57 118.02 1nkp h LYS 959 Ca 0.06 -0.53 -0.06 0.00 -1.27 0.00 0.00 60.65 58.84 1nkp h LYS 959 Cb 0.08 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1nkp h LYS 959 CO -0.00 1.17 -0.09 -0.07 -2.27 0.00 0.00 179.45 178.19 1nkp h LEU 960 N 0.07 0.46 -0.49 5.20 3.38 -1.05 -0.96 115.31 121.92 1nkp h LEU 960 Ca -0.09 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.61 1nkp h LEU 960 Cb 1.41 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1nkp h LEU 960 CO 0.14 0.59 -0.57 -0.29 0.09 0.00 0.00 178.44 178.40 1nkp h ILE 961 N 0.45 1.32 -0.44 1.22 6.09 -1.07 -1.65 117.51 123.44 1nkp h ILE 961 Ca 0.09 -1.83 -0.12 0.00 -1.37 0.00 0.00 64.86 61.63 1nkp h ILE 961 Cb 0.43 1.80 -0.01 0.00 0.47 0.00 0.00 36.82 39.50 1nkp h ILE 961 CO 0.02 0.57 -0.20 -1.28 -3.07 0.00 0.00 178.15 174.19 1nkp h SER 962 N 0.42 0.89 -0.19 2.19 0.87 -1.14 -2.39 113.55 114.22 1nkp h SER 962 Ca 0.00 -0.32 -0.06 0.00 -1.23 0.00 0.00 61.79 60.18 1nkp h SER 962 Cb 1.12 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1nkp h SER 962 CO 0.11 1.07 -0.14 -0.08 -0.53 0.00 0.00 176.83 177.26 1nkp h GLU 963 N 0.77 0.42 -0.96 2.24 4.81 -1.07 -2.50 114.58 118.29 1nkp h GLU 963 Ca 0.11 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1nkp h GLU 963 Cb 0.74 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 1nkp h GLU 963 CO 0.06 0.75 0.59 1.49 -0.73 0.00 0.00 179.01 181.17 1nkp h GLU 964 N 0.09 1.29 -0.73 1.92 4.81 -1.29 0.83 114.58 121.50 1nkp h GLU 964 Ca 0.04 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1nkp h GLU 964 Cb 0.65 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1nkp h GLU 964 CO 0.04 0.89 0.34 0.22 -0.73 0.00 0.00 179.01 179.77 1nkp h ASP 965 N 1.32 0.96 -0.22 1.04 3.58 -1.40 -0.53 116.42 121.16 1nkp h ASP 965 Ca 0.34 -0.11 -0.09 0.00 0.42 0.00 0.00 57.03 57.59 1nkp h ASP 965 Cb -0.08 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.73 1nkp h ASP 965 CO -0.07 0.82 -0.20 -0.07 -2.88 0.00 0.00 179.24 176.85 1nkp h LEU 966 N 1.04 0.56 -1.03 2.28 3.38 -0.88 -2.45 115.31 118.22 1nkp h LEU 966 Ca 0.25 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1nkp h LEU 966 Cb 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1nkp h LEU 966 CO -0.03 0.91 0.34 -0.07 0.09 0.00 0.00 178.44 179.68 1nkp h LEU 967 N 0.22 0.94 -0.08 1.67 3.38 -0.60 -0.73 115.31 120.11 1nkp h LEU 967 Ca 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1nkp h LEU 967 Cb 0.74 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1nkp h LEU 967 CO 0.05 0.80 0.01 0.03 0.09 0.00 0.00 178.44 179.42 1nkp h ARG 968 N 1.03 0.13 -0.26 1.13 3.08 -1.05 0.46 114.38 118.90 1nkp h ARG 968 Ca 0.25 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1nkp h ARG 968 Cb 0.11 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1nkp h ARG 968 CO -0.03 0.34 0.04 -0.22 -1.07 0.00 0.00 179.97 179.03 1nkp h LYS 969 N -0.10 0.37 -0.30 0.04 3.64 -1.27 -2.10 116.57 116.85 1nkp h LYS 969 Ca 0.03 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1nkp h LYS 969 Cb 0.27 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1nkp h LYS 969 CO 0.00 0.36 0.02 -0.09 -2.27 0.00 0.00 179.45 177.47 1nkp h ARG 970 N 0.36 0.52 0.16 1.90 9.65 -0.72 -2.34 114.38 123.91 1nkp h ARG 970 Ca 0.09 -0.16 0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1nkp h ARG 970 Cb 0.18 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 1nkp h ARG 970 CO -0.00 0.65 -0.22 -0.09 2.80 0.00 0.00 179.97 183.11 1nkp h ARG 971 N 0.33 -0.42 -0.60 0.20 2.43 -0.26 -0.39 114.38 115.66 1nkp h ARG 971 Ca 0.09 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1nkp h ARG 971 Cb 0.40 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 1nkp h ARG 971 CO 0.01 -0.28 0.40 0.93 -1.51 0.00 0.00 179.97 179.53 1nkp h GLU 972 N -0.43 0.56 -0.33 0.20 4.39 -1.44 -0.74 114.58 116.79 1nkp h GLU 972 Ca 0.02 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1nkp h GLU 972 Cb 0.43 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1nkp h GLU 972 CO -0.09 0.37 0.10 1.96 -1.16 0.00 0.00 179.01 180.19 1nkp h GLN 973 N 0.58 0.51 -0.70 2.33 4.20 -0.78 0.96 115.11 122.21 1nkp h GLN 973 Ca 0.26 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1nkp h GLN 973 Cb 0.29 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1nkp h GLN 973 CO -0.08 0.56 0.43 -0.07 -0.67 0.00 0.00 178.83 179.00 1nkp h LEU 974 N 0.37 0.84 -0.71 1.46 -0.00 0.04 -0.88 115.31 116.43 1nkp h LEU 974 Ca 0.11 -0.06 -0.08 0.00 -0.00 0.00 0.00 57.88 57.85 1nkp h LEU 974 Cb 0.26 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.68 1nkp h LEU 974 CO -0.00 0.65 0.12 0.11 -0.00 0.00 0.00 178.44 179.31 1nkp h LYS 975 N 0.96 1.10 -0.47 1.13 1.57 -0.95 -1.76 116.57 118.16 1nkp h LYS 975 Ca 0.25 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1nkp h LYS 975 Cb -0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1nkp h LYS 975 CO -0.05 1.00 0.30 1.25 -0.57 0.00 0.00 179.45 181.39 1nkp h HIS 976 N 1.04 0.60 -0.31 -1.35 2.76 -0.12 -1.98 115.15 115.78 1nkp h HIS 976 Ca 0.21 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.26 1nkp h HIS 976 Cb 0.43 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 1nkp h HIS 976 CO 0.03 0.39 -0.29 -0.22 -1.30 0.00 0.00 177.93 176.54 1nkp h LYS 977 N 0.64 0.75 -0.96 5.26 1.63 -0.59 -2.88 116.57 120.43 1nkp h LYS 977 Ca 0.17 -0.39 0.03 0.00 -0.85 0.00 0.00 60.65 59.61 1nkp h LYS 977 Cb -0.06 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.53 1nkp h LYS 977 CO -0.04 1.01 0.63 -0.07 -3.45 0.00 0.00 179.45 177.53 1nkp h LEU 978 N 0.51 1.06 -1.21 5.20 3.38 -0.63 -1.41 115.31 122.21 1nkp h LEU 978 Ca 0.05 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1nkp h LEU 978 Cb 0.86 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1nkp h LEU 978 CO 0.07 0.74 -0.20 -0.33 0.09 0.00 0.00 178.44 178.82 1nkp h GLU 979 N 1.24 0.31 -0.00 1.13 5.08 -1.34 -2.04 114.58 118.96 1nkp h GLU 979 Ca 0.37 -0.09 -0.24 0.00 -1.00 0.00 0.00 59.36 58.40 1nkp h GLU 979 Cb -0.05 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.18 1nkp h GLU 979 CO -0.11 0.50 -0.97 1.96 -1.00 0.00 0.00 179.01 179.39 1nkp h GLN 980 N 0.28 0.50 -0.04 2.33 4.20 -1.16 -3.29 115.11 117.93 1nkp h GLN 980 Ca 0.05 -0.54 -0.15 0.00 0.06 0.00 0.00 58.65 58.07 1nkp h GLN 980 Cb 0.51 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1nkp h GLN 980 CO 0.03 1.17 -0.65 -0.07 -0.67 0.00 0.00 178.83 178.64 1nkp h LEU 981 N 0.28 0.20 -0.26 1.46 3.38 -1.09 -3.50 115.31 115.79 1nkp h LEU 981 Ca -0.09 -0.12 0.23 0.00 0.09 0.00 0.00 57.88 57.98 1nkp h LEU 981 Cb 1.61 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 42.21 1nkp h LEU 981 CO 0.18 0.80 -0.53 0.61 0.09 0.00 0.00 178.44 179.58 1nkp n GLY 982 N 0.36 -2.30 3.82 0.83 0.00 -0.78 -4.92 105.19 102.21 1nkp n GLY 982 Ca -0.02 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 1nkp n GLY 982 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nkp s GLY 983 N -6.23 1.69 0.00 -0.02 0.00 -1.26 -5.00 107.32 96.49 1nkp s GLY 983 Ca 0.00 -1.01 0.32 0.00 0.00 0.00 0.00 44.72 44.03 1nkp s GLY 983 CO 0.00 -0.25 2.22 0.00 0.00 0.00 0.00 173.10 175.07