#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dtk s ALA 2 N 0.00 -0.55 0.20 0.00 0.00 -1.26 -4.87 121.76 115.28 1dtk s ALA 2 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.99 1dtk s ALA 2 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 23.12 23.31 1dtk s ALA 2 CO 0.00 -0.21 1.61 -0.22 0.00 0.00 0.00 175.76 176.94 1dtk h LYS 3 N 4.40 -0.08 0.00 0.00 1.63 -2.03 0.16 116.57 120.64 1dtk h LYS 3 Ca -0.29 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1dtk h LYS 3 Cb 1.19 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1dtk h LYS 3 CO 0.39 -0.05 0.00 0.10 -3.45 0.00 0.00 179.45 176.44 1dtk h TYR 4 N -0.08 0.00 -0.18 1.91 -0.00 -1.98 -2.59 116.97 114.05 1dtk h TYR 4 Ca 0.27 0.00 0.05 0.00 0.00 0.00 0.00 58.73 59.06 1dtk h TYR 4 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.23 1dtk h TYR 4 CO -0.56 0.00 0.21 0.00 -0.00 0.00 0.00 178.16 177.80 1dtk h LYS 6 N 0.00 0.00 -6.84 0.00 1.57 -1.63 -3.37 116.57 106.30 1dtk h LYS 6 Ca 0.09 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.34 1dtk h LYS 6 Cb 0.50 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.89 1dtk h LYS 6 CO -0.00 0.00 0.78 -0.51 -0.57 0.00 0.00 179.45 179.15 1dtk s LEU 7 N -5.96 4.36 0.00 2.94 1.43 0.20 -4.75 118.68 116.90 1dtk s LEU 7 Ca 0.00 2.85 -0.02 0.00 -1.03 0.00 0.00 54.13 55.94 1dtk s LEU 7 Cb 0.10 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.70 1dtk s LEU 7 CO 0.49 -0.78 0.13 -0.81 0.23 0.00 0.00 176.35 175.61 1dtk n PRO 8 N 1.53 -0.24 -1.88 1.29 -0.04 -1.26 -4.71 135.00 129.68 1dtk n PRO 8 Ca 0.04 -0.20 -0.23 0.00 -0.04 0.00 0.00 63.50 63.08 1dtk n PRO 8 Cb 0.39 -0.14 -0.07 0.00 -0.04 0.00 0.00 33.50 33.64 1dtk n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1dtk s LEU 9 N 0.00 2.88 -1.09 1.53 2.96 -1.26 -4.84 118.68 118.85 1dtk s LEU 9 Ca 0.07 -1.04 -0.10 0.00 -0.22 0.00 0.00 54.13 52.84 1dtk s LEU 9 Cb -0.00 -2.58 0.26 0.00 0.50 0.00 0.00 46.19 44.37 1dtk s LEU 9 CO 0.05 -3.54 1.12 -0.60 -1.32 0.00 0.00 176.35 172.06 1dtk s ARG 10 N 7.41 4.13 0.38 1.98 6.06 -1.26 -4.81 118.95 132.83 1dtk s ARG 10 Ca 0.75 -3.05 0.07 0.00 -2.50 0.00 0.00 55.73 51.01 1dtk s ARG 10 Cb -0.05 -4.61 0.75 0.00 0.06 0.00 0.00 34.95 31.10 1dtk s ARG 10 CO 0.11 -1.32 1.94 0.82 -2.50 0.00 0.00 175.30 174.35 1dtk h ILE 11 N 3.93 1.16 -0.27 4.11 2.04 -1.88 -3.44 117.51 123.16 1dtk h ILE 11 Ca 0.19 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1dtk h ILE 11 Cb 0.89 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1dtk h ILE 11 CO 1.02 0.21 -0.07 0.61 0.00 0.00 0.00 178.15 179.92 1dtk n GLY 12 N -1.03 -3.02 1.48 5.37 0.00 -1.26 -1.58 105.19 105.13 1dtk n GLY 12 Ca 0.01 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 1dtk n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dtk n PRO 13 N -1.20 1.29 -4.01 1.61 -0.04 -1.25 -4.55 135.00 126.84 1dtk n PRO 13 Ca 0.00 -0.60 -0.22 0.00 -0.04 0.00 0.00 63.50 62.64 1dtk n PRO 13 Cb 0.01 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.19 1dtk n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dtk n LYS 15 N -1.22 2.95 -4.27 0.00 -0.00 -1.26 -4.69 118.16 109.67 1dtk n LYS 15 Ca -0.04 -3.55 -0.27 0.00 -0.00 0.00 0.00 58.31 54.45 1dtk n LYS 15 Cb 0.60 -2.28 -0.07 0.00 -0.00 0.00 0.00 35.03 33.28 1dtk n LYS 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1dtk s ARG 16 N -3.74 2.19 -0.24 -1.58 0.52 -1.26 -5.12 118.95 109.71 1dtk s ARG 16 Ca 0.60 -2.01 -0.03 0.00 -0.52 0.00 0.00 55.73 53.77 1dtk s ARG 16 Cb 0.48 -1.87 0.13 0.00 0.52 0.00 0.00 34.95 34.21 1dtk s ARG 16 CO 0.01 -0.23 0.37 -1.59 0.02 0.00 0.00 175.30 173.87 1dtk s LYS 17 N -3.93 0.34 -0.23 3.54 -2.85 -1.23 -4.23 119.74 111.13 1dtk s LYS 17 Ca 0.33 0.50 0.00 0.00 -1.00 0.00 0.00 55.97 55.80 1dtk s LYS 17 Cb 0.03 -0.54 0.06 0.00 -2.06 0.00 0.00 37.83 35.33 1dtk s LYS 17 CO 0.18 -0.65 -0.02 0.42 0.10 0.00 0.00 175.35 175.38 1dtk s ILE 18 N 2.53 1.30 -0.02 3.79 1.01 0.13 -4.91 121.20 125.03 1dtk s ILE 18 Ca 0.12 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 1dtk s ILE 18 Cb -0.15 -1.66 -0.07 0.00 0.01 0.00 0.00 42.46 40.58 1dtk s ILE 18 CO -0.16 -0.18 1.89 -2.16 0.00 0.00 0.00 174.94 174.33 1dtk s PRO 19 N 1.49 4.05 0.34 2.79 0.04 -1.26 -0.62 135.00 141.83 1dtk s PRO 19 Ca -0.03 2.41 0.07 0.00 0.04 0.00 0.00 61.00 63.48 1dtk s PRO 19 Cb -0.18 -4.13 -0.02 0.00 0.04 0.00 0.00 34.50 30.20 1dtk s PRO 19 CO -0.08 -1.04 0.24 0.43 0.04 0.00 0.00 177.00 176.60 1dtk n SER 20 N 7.81 -0.22 -4.13 6.66 7.64 0.30 -4.91 113.62 126.78 1dtk n SER 20 Ca 0.20 -3.13 -0.24 0.00 1.01 0.00 0.00 58.87 56.72 1dtk n SER 20 Cb 0.42 1.47 -0.15 0.00 -1.01 0.00 0.00 64.21 64.94 1dtk n SER 20 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1dtk s PHE 21 N -3.25 1.42 0.22 1.43 0.40 0.83 -0.57 117.98 118.46 1dtk s PHE 21 Ca 0.34 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 1dtk s PHE 21 Cb 0.02 -0.93 -0.05 0.00 0.51 0.00 0.00 43.02 42.57 1dtk s PHE 21 CO 0.24 -0.05 0.04 1.52 0.70 0.00 0.00 175.22 177.67 1dtk s TYR 22 N -0.28 1.42 -0.38 0.36 1.13 -0.59 -0.44 117.35 118.57 1dtk s TYR 22 Ca 0.04 -1.06 -0.14 0.00 -1.41 0.00 0.00 57.07 54.51 1dtk s TYR 22 Cb -0.07 -0.82 0.00 0.00 -1.10 0.00 0.00 41.96 39.97 1dtk s TYR 22 CO -0.00 -0.22 0.26 -0.47 -2.51 0.00 0.00 175.55 172.62 1dtk s TYR 23 N -3.64 3.23 -1.01 -3.49 5.04 -1.26 -0.52 117.35 115.71 1dtk s TYR 23 Ca 0.30 -0.46 -0.23 0.00 -2.44 0.00 0.00 57.07 54.24 1dtk s TYR 23 Cb 0.07 -2.53 0.03 0.00 0.35 0.00 0.00 41.96 39.88 1dtk s TYR 23 CO 0.09 -0.50 1.57 0.21 -1.34 0.00 0.00 175.55 175.58 1dtk s LYS 24 N 1.69 3.38 0.53 4.97 2.20 0.22 -4.81 119.74 127.92 1dtk s LYS 24 Ca 0.05 -0.98 0.23 0.00 -0.36 0.00 0.00 55.97 54.91 1dtk s LYS 24 Cb -0.18 -5.30 1.37 0.00 -1.51 0.00 0.00 37.83 32.21 1dtk s LYS 24 CO 0.10 -2.47 2.04 2.35 -0.36 0.00 0.00 175.35 177.01 1dtk h TRP 25 N 10.04 0.00 0.00 4.03 2.91 -1.83 0.35 115.95 131.45 1dtk h TRP 25 Ca 0.19 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.21 1dtk h TRP 25 Cb 1.00 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.65 1dtk h TRP 25 CO 1.27 0.00 0.00 1.17 -1.03 0.00 0.00 178.44 179.85 1dtk n LYS 26 N -4.40 0.19 -0.03 2.65 4.81 -1.26 -3.28 118.16 116.84 1dtk n LYS 26 Ca 0.06 0.14 -0.04 0.00 -0.87 0.00 0.00 58.31 57.61 1dtk n LYS 26 Cb 0.45 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.98 1dtk n LYS 26 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1dtk n ALA 27 N -1.34 1.94 -0.40 3.14 0.00 0.51 -5.07 120.51 119.30 1dtk n ALA 27 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1dtk n ALA 27 Cb 0.15 0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1dtk n ALA 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dtk n LYS 28 N -2.69 0.00 -3.99 0.00 4.76 0.93 -5.09 118.16 112.08 1dtk n LYS 28 Ca -0.09 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.27 1dtk n LYS 28 Cb 0.59 -0.70 -0.09 0.00 -1.84 0.00 0.00 35.03 33.00 1dtk n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1dtk s GLN 29 N -1.59 0.77 0.13 1.97 -0.21 -1.22 -4.99 119.66 114.52 1dtk s GLN 29 Ca 0.00 -1.13 -0.30 0.00 0.02 0.00 0.00 55.36 53.95 1dtk s GLN 29 Cb 0.00 0.28 -0.07 0.00 1.00 0.00 0.00 33.01 34.22 1dtk s GLN 29 CO 0.00 -0.21 1.07 0.00 -2.12 0.00 0.00 175.29 174.03 1dtk s LEU 31 N 0.03 2.10 0.63 0.00 1.43 0.33 -4.94 118.68 118.25 1dtk s LEU 31 Ca 0.50 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.22 1dtk s LEU 31 Cb -0.27 -0.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.89 1dtk s LEU 31 CO 0.32 -0.10 1.08 -2.16 0.23 0.00 0.00 176.35 175.72 1dtk s PRO 32 N -0.64 3.06 0.13 1.29 0.04 -1.26 -1.54 135.00 136.08 1dtk s PRO 32 Ca -0.05 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 1dtk s PRO 32 Cb -0.04 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.57 1dtk s PRO 32 CO -0.00 -1.03 0.94 1.97 0.04 0.00 0.00 177.00 178.92 1dtk n PHE 33 N -2.26 -1.09 -4.04 0.56 -1.74 0.26 -4.90 117.46 104.24 1dtk n PHE 33 Ca 0.09 -1.02 -0.35 0.00 -0.56 0.00 0.00 57.45 55.61 1dtk n PHE 33 Cb 0.52 0.50 -0.12 0.00 1.52 0.00 0.00 39.48 41.90 1dtk n PHE 33 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1dtk s ASP 34 N -3.20 5.10 0.41 5.98 1.01 -1.26 -0.54 116.67 124.17 1dtk s ASP 34 Ca 0.21 -0.12 -0.10 0.00 0.71 0.00 0.00 52.55 53.25 1dtk s ASP 34 Cb -0.02 -1.88 -0.06 0.00 1.01 0.00 0.00 42.92 41.97 1dtk s ASP 34 CO 0.04 0.09 0.77 -0.47 0.21 0.00 0.00 175.17 175.81 1dtk s TYR 35 N 0.88 3.47 -0.04 4.23 5.04 0.21 -4.75 117.35 126.39 1dtk s TYR 35 Ca 0.02 1.04 -0.01 0.00 -2.44 0.00 0.00 57.07 55.68 1dtk s TYR 35 Cb -0.14 -2.44 -0.01 0.00 0.35 0.00 0.00 41.96 39.72 1dtk s TYR 35 CO 0.02 -0.12 0.09 0.66 -1.34 0.00 0.00 175.55 174.86 1dtk h SER 36 N 1.21 -0.03 0.00 4.32 4.64 -1.47 0.37 113.55 122.59 1dtk h SER 36 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1dtk h SER 36 Cb 1.19 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1dtk h SER 36 CO 0.64 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 1dtk n GLY 37 N 1.68 3.47 3.90 -0.77 0.00 -1.26 -4.27 105.19 107.94 1dtk n GLY 37 Ca -0.01 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1dtk n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dtk n GLY 39 N 1.05 -0.50 0.00 0.00 0.00 -1.26 -3.95 105.19 100.53 1dtk n GLY 39 Ca -0.12 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1dtk n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dtk n GLY 40 N -0.99 -0.63 2.54 -0.02 0.00 -1.26 -4.55 105.19 100.28 1dtk n GLY 40 Ca -0.18 -0.97 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 1dtk n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dtk n ASN 41 N 0.00 -1.51 0.23 1.61 0.23 -1.26 -5.00 115.26 109.56 1dtk n ASN 41 Ca 0.00 -2.02 0.15 0.00 -0.53 0.00 0.00 54.58 52.18 1dtk n ASN 41 Cb 0.00 2.51 0.46 0.00 -2.08 0.00 0.00 39.78 40.67 1dtk n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dtk h ALA 42 N 2.00 1.00 0.00 -2.53 0.00 -2.00 -3.38 119.26 114.35 1dtk h ALA 42 Ca -0.22 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.03 1dtk h ALA 42 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1dtk h ALA 42 CO 0.28 0.00 3.05 -1.71 0.00 0.00 0.00 179.25 180.87 1dtk n ASN 43 N -2.96 4.56 -3.65 0.00 2.85 -1.26 -4.80 115.26 110.00 1dtk n ASN 43 Ca 0.02 -2.71 -0.06 0.00 -0.11 0.00 0.00 54.58 51.72 1dtk n ASN 43 Cb 0.39 -1.48 -0.07 0.00 1.24 0.00 0.00 39.78 39.86 1dtk n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1dtk s ARG 44 N 3.41 0.61 0.01 1.20 3.52 -1.26 -4.47 118.95 121.97 1dtk s ARG 44 Ca 0.53 1.20 -0.00 0.00 -0.13 0.00 0.00 55.73 57.32 1dtk s ARG 44 Cb 0.15 0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 33.81 1dtk s ARG 44 CO -0.04 -0.17 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.22 1dtk s PHE 45 N 1.94 0.09 -0.07 5.12 0.08 0.42 -4.98 117.98 120.57 1dtk s PHE 45 Ca -0.09 -0.18 0.30 0.00 0.12 0.00 0.00 56.93 57.09 1dtk s PHE 45 Cb -0.08 -0.07 1.05 0.00 -0.57 0.00 0.00 43.02 43.36 1dtk s PHE 45 CO -0.18 -0.07 1.87 0.87 -0.10 0.00 0.00 175.22 177.60 1dtk h LYS 46 N 5.59 0.00 -5.94 0.44 1.79 -1.91 0.24 116.57 116.78 1dtk h LYS 46 Ca -0.27 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.68 1dtk h LYS 46 Cb 1.21 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.65 1dtk h LYS 46 CO 0.47 0.00 -0.81 0.95 -1.08 0.00 0.00 179.45 178.99 1dtk s THR 47 N -3.52 1.61 0.22 -0.16 -4.23 -1.26 -4.72 115.64 103.58 1dtk s THR 47 Ca 0.03 -1.59 -0.09 0.00 -1.18 0.00 0.00 61.69 58.86 1dtk s THR 47 Cb 0.08 -1.53 0.18 0.00 1.34 0.00 0.00 72.50 72.57 1dtk s THR 47 CO 0.58 -0.16 1.88 -0.29 -0.54 0.00 0.00 174.62 176.09 1dtk h ILE 48 N 3.92 1.18 -0.60 2.99 6.09 -1.94 -3.10 117.51 126.04 1dtk h ILE 48 Ca -0.44 -0.36 -0.07 0.00 -1.37 0.00 0.00 64.86 62.62 1dtk h ILE 48 Cb 1.19 0.03 -0.02 0.00 0.47 0.00 0.00 36.82 38.49 1dtk h ILE 48 CO 0.42 0.19 0.08 -0.33 -3.07 0.00 0.00 178.15 175.45 1dtk h GLU 49 N 1.05 0.97 -0.45 2.19 3.07 -1.98 0.26 114.58 119.69 1dtk h GLU 49 Ca 0.30 -0.25 -0.08 0.00 -0.50 0.00 0.00 59.36 58.83 1dtk h GLU 49 Cb -0.08 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.70 1dtk h GLU 49 CO -0.08 0.91 -0.05 1.49 -1.40 0.00 0.00 179.01 179.88 1dtk h GLU 50 N 0.91 0.83 0.09 2.33 4.57 -1.98 0.24 114.58 121.58 1dtk h GLU 50 Ca 0.18 -0.29 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1dtk h GLU 50 Cb 0.42 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1dtk h GLU 50 CO 0.01 0.91 -0.19 0.00 -1.18 0.00 0.00 179.01 178.56 1dtk h ARG 52 N -0.37 -0.06 -0.37 0.00 2.43 -0.23 0.39 114.38 116.18 1dtk h ARG 52 Ca 0.03 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1dtk h ARG 52 Cb 0.39 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1dtk h ARG 52 CO -0.12 -0.04 0.02 -0.09 -1.51 0.00 0.00 179.97 178.24 1dtk h ARG 53 N -0.06 0.58 0.24 0.20 1.12 -0.35 0.18 114.38 116.28 1dtk h ARG 53 Ca 0.11 -0.12 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1dtk h ARG 53 Cb 0.23 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 1dtk h ARG 53 CO -0.26 0.58 -0.11 1.15 -3.11 0.00 0.00 179.97 178.22 1dtk h THR 54 N 0.55 0.71 0.00 0.20 2.02 -0.31 -3.43 112.91 112.65 1dtk h THR 54 Ca 0.12 -0.89 -0.30 0.00 0.77 0.00 0.00 66.41 66.11 1dtk h THR 54 Cb 0.32 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1dtk h THR 54 CO 0.01 0.16 -1.73 0.00 0.37 0.00 0.00 175.52 174.33 1dtk s VAL 56 N -2.46 1.84 0.00 0.00 1.01 0.61 0.20 120.40 121.60 1dtk s VAL 56 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1dtk s VAL 56 Cb 0.09 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1dtk s VAL 56 CO 0.51 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.22