#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 1.70 0.03 0.00 0.00 -1.26 -4.98 121.76 117.25 1dtk s ALA 2 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 51.96 51.33 1dtk s ALA 2 Cb 0.00 -3.08 -0.17 0.00 0.00 0.00 0.00 23.12 19.87 1dtk s ALA 2 CO 0.00 -2.27 1.44 0.87 0.00 0.00 0.00 175.76 175.80 1dtk h LYS 3 N -1.48 -0.16 0.00 0.00 6.56 -2.03 -3.01 116.57 116.45 1dtk h LYS 3 Ca -0.50 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1dtk h LYS 3 Cb 1.31 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 33.01 1dtk h LYS 3 CO 0.60 0.11 0.00 0.10 -2.06 0.00 0.00 179.45 178.20 1dtk h TYR 4 N -0.42 0.00 -1.17 -1.35 -0.00 -1.96 -0.63 116.97 111.43 1dtk h TYR 4 Ca -0.02 0.00 0.33 0.00 0.00 0.00 0.00 58.73 59.05 1dtk h TYR 4 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 37.00 1dtk h TYR 4 CO 0.01 0.00 0.81 0.00 -0.00 0.00 0.00 178.16 178.98 1dtk h LYS 6 N 0.15 0.00 -6.88 0.00 3.64 -1.28 -3.35 116.57 108.85 1dtk h LYS 6 Ca 0.61 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.47 1dtk h LYS 6 Cb 2.07 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 33.95 1dtk h LYS 6 CO -0.15 0.12 0.61 -0.51 -2.27 0.00 0.00 179.45 177.24 1dtk s LEU 7 N -6.31 4.42 0.00 5.20 1.43 0.19 -4.74 118.68 118.88 1dtk s LEU 7 Ca 0.05 2.62 -0.01 0.00 -1.03 0.00 0.00 54.13 55.76 1dtk s LEU 7 Cb 0.07 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.62 1dtk s LEU 7 CO 0.66 -0.51 0.06 -0.81 0.23 0.00 0.00 176.35 175.98 1dtk n PRO 8 N 0.78 0.03 -1.91 1.29 -0.04 -1.26 -4.68 135.00 129.20 1dtk n PRO 8 Ca 0.00 -0.10 -0.23 0.00 -0.04 0.00 0.00 63.50 63.13 1dtk n PRO 8 Cb 0.42 -0.06 -0.07 0.00 -0.04 0.00 0.00 33.50 33.75 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 2.89 -1.16 1.53 2.96 -1.26 -4.84 118.68 118.81 1dtk s LEU 9 Ca 0.03 -1.15 -0.10 0.00 -0.22 0.00 0.00 54.13 52.70 1dtk s LEU 9 Cb -0.00 -2.58 0.24 0.00 0.50 0.00 0.00 46.19 44.35 1dtk s LEU 9 CO 0.02 -3.49 1.33 -1.14 -1.32 0.00 0.00 176.35 171.75 1dtk n ARG 10 N 8.42 3.61 -0.30 1.98 3.00 -1.26 -4.73 116.66 127.38 1dtk n ARG 10 Ca 0.43 -4.20 0.08 0.00 -0.00 0.00 0.00 57.85 54.16 1dtk n ARG 10 Cb 0.46 -2.74 0.30 0.00 0.00 0.00 0.00 32.46 30.49 1dtk n ARG 10 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1dtk h ILE 11 N 3.95 0.94 0.00 5.15 2.04 -1.88 -3.42 117.51 124.29 1dtk h ILE 11 Ca 0.24 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1dtk h ILE 11 Cb 0.82 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1dtk h ILE 11 CO 1.18 0.16 0.00 0.61 0.00 0.00 0.00 178.15 180.10 1dtk n GLY 12 N -1.40 -1.66 0.00 5.37 0.00 -1.26 -1.03 105.19 105.21 1dtk n GLY 12 Ca 0.16 -1.55 0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.53 0.17 -2.53 1.61 -0.04 -1.25 -4.70 135.00 126.72 1dtk n PRO 13 Ca 0.00 0.06 -0.26 0.00 -0.04 0.00 0.00 63.50 63.26 1dtk n PRO 13 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 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 -2.43 3.04 -2.58 0.00 0.00 -1.26 -4.63 118.16 110.30 1dtk n LYS 15 Ca 0.03 -3.67 -0.23 0.00 -0.00 0.00 0.00 58.31 54.44 1dtk n LYS 15 Cb 0.57 -2.28 0.09 0.00 -0.00 0.00 0.00 35.03 33.40 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 -3.76 1.95 -0.31 -1.58 1.81 -1.26 -5.11 118.95 110.69 1dtk s ARG 16 Ca 0.58 -0.97 -0.01 0.00 -1.72 0.00 0.00 55.73 53.61 1dtk s ARG 16 Cb 0.46 -2.36 0.13 0.00 -0.45 0.00 0.00 34.95 32.73 1dtk s ARG 16 CO -0.05 -1.23 0.25 0.15 -0.68 0.00 0.00 175.30 173.74 1dtk s LYS 17 N -5.04 0.36 -0.29 3.54 -0.14 -1.24 -4.42 119.74 112.51 1dtk s LYS 17 Ca 0.63 -0.48 0.03 0.00 -1.36 0.00 0.00 55.97 54.79 1dtk s LYS 17 Cb -0.07 -0.87 0.08 0.00 -1.68 0.00 0.00 37.83 35.29 1dtk s LYS 17 CO 0.43 -1.07 -0.02 0.42 -0.76 0.00 0.00 175.35 174.34 1dtk s ILE 18 N 2.02 2.00 0.09 2.17 1.01 0.36 -4.94 121.20 123.90 1dtk s ILE 18 Ca 0.11 -1.81 -0.31 0.00 0.00 0.00 0.00 60.65 58.64 1dtk s ILE 18 Cb -0.16 -2.30 -0.10 0.00 0.01 0.00 0.00 42.46 39.91 1dtk s ILE 18 CO -0.26 -0.30 1.88 -2.16 0.00 0.00 0.00 174.94 174.10 1dtk s PRO 19 N 1.12 4.14 0.33 2.79 0.04 -1.26 -0.54 135.00 141.60 1dtk s PRO 19 Ca 0.00 2.60 0.07 0.00 0.04 0.00 0.00 61.00 63.71 1dtk s PRO 19 Cb -0.19 -3.79 -0.03 0.00 0.04 0.00 0.00 34.50 30.53 1dtk s PRO 19 CO -0.08 -0.88 0.26 -1.12 0.04 0.00 0.00 177.00 175.22 1dtk s SER 20 N 3.32 1.63 0.01 6.66 0.01 0.19 -4.88 113.70 120.64 1dtk s SER 20 Ca 0.84 -1.73 0.05 0.00 1.31 0.00 0.00 55.95 56.41 1dtk s SER 20 Cb -0.45 0.54 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 1dtk s SER 20 CO 0.38 -1.04 -0.17 -0.36 0.41 0.00 0.00 173.24 172.46 1dtk s PHE 21 N -3.48 1.48 0.20 2.43 0.40 0.11 -0.54 117.98 118.57 1dtk s PHE 21 Ca 0.40 -0.30 -0.00 0.00 -0.60 0.00 0.00 56.93 56.42 1dtk s PHE 21 Cb 0.03 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 1dtk s PHE 21 CO 0.26 0.00 0.09 1.52 0.70 0.00 0.00 175.22 177.80 1dtk s TYR 22 N -0.53 1.19 -0.40 0.36 1.13 -0.34 -0.45 117.35 118.31 1dtk s TYR 22 Ca 0.06 -1.27 -0.18 0.00 -1.41 0.00 0.00 57.07 54.27 1dtk s TYR 22 Cb -0.07 -0.64 0.01 0.00 -1.10 0.00 0.00 41.96 40.16 1dtk s TYR 22 CO 0.00 -0.50 0.49 -0.47 -2.51 0.00 0.00 175.55 172.56 1dtk s TYR 23 N -3.99 3.15 -0.97 -3.49 6.14 -1.26 -0.59 117.35 116.35 1dtk s TYR 23 Ca 0.34 -0.14 -0.24 0.00 0.64 0.00 0.00 57.07 57.68 1dtk s TYR 23 Cb 0.07 -2.97 0.04 0.00 0.42 0.00 0.00 41.96 39.53 1dtk s TYR 23 CO 0.09 -0.67 1.43 0.21 0.64 0.00 0.00 175.55 177.26 1dtk s LYS 24 N 2.32 3.50 0.31 4.97 2.20 0.78 -4.82 119.74 129.01 1dtk s LYS 24 Ca 0.16 -0.94 0.08 0.00 -0.36 0.00 0.00 55.97 54.90 1dtk s LYS 24 Cb -0.16 -5.15 0.84 0.00 -1.51 0.00 0.00 37.83 31.86 1dtk s LYS 24 CO 0.14 -2.22 1.71 2.35 -0.36 0.00 0.00 175.35 176.97 1dtk h TRP 25 N 9.89 0.87 0.00 4.03 2.91 -1.82 0.45 115.95 132.28 1dtk h TRP 25 Ca 0.11 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1dtk h TRP 25 Cb 1.02 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.43 1dtk h TRP 25 CO 1.25 0.00 0.00 1.17 -1.03 0.00 0.00 178.44 179.84 1dtk n LYS 26 N -4.96 0.04 -0.02 2.65 4.81 -1.26 -2.11 118.16 117.30 1dtk n LYS 26 Ca 0.25 0.28 -0.01 0.00 -0.87 0.00 0.00 58.31 57.96 1dtk n LYS 26 Cb 0.73 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.24 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 -1.45 1.96 -2.38 3.14 0.00 0.54 -5.06 120.51 117.26 1dtk n ALA 27 Ca 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 1dtk n ALA 27 Cb 0.12 0.05 0.02 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.07 -1.76 -3.49 0.00 5.02 0.13 -5.07 118.16 110.91 1dtk n LYS 28 Ca -0.07 0.23 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1dtk n LYS 28 Cb 0.54 -3.39 -0.02 0.00 -0.02 0.00 0.00 35.03 32.13 1dtk n LYS 28 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1dtk s GLN 29 N -4.34 0.90 0.05 1.97 -2.07 -1.18 -5.02 119.66 109.97 1dtk s GLN 29 Ca 0.00 -0.33 -0.27 0.00 -1.82 0.00 0.00 55.36 52.94 1dtk s GLN 29 Cb -0.00 0.41 -0.05 0.00 -1.09 0.00 0.00 33.01 32.28 1dtk s GLN 29 CO 0.20 -0.39 0.84 0.00 -1.32 0.00 0.00 175.29 174.61 1dtk s LEU 31 N 0.13 2.26 0.74 0.00 1.43 0.25 -4.92 118.68 118.57 1dtk s LEU 31 Ca 0.42 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 1dtk s LEU 31 Cb -0.21 0.09 0.04 0.00 0.03 0.00 0.00 46.19 46.13 1dtk s LEU 31 CO 0.25 -0.32 1.08 -2.16 0.23 0.00 0.00 176.35 175.43 1dtk s PRO 32 N -1.68 2.54 0.11 1.29 0.04 -1.26 -1.20 135.00 134.83 1dtk s PRO 32 Ca -0.14 0.96 -0.24 0.00 0.04 0.00 0.00 61.00 61.63 1dtk s PRO 32 Cb -0.08 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.60 1dtk s PRO 32 CO -0.02 -1.39 1.12 -0.59 0.04 0.00 0.00 177.00 176.17 1dtk s PHE 33 N -3.01 0.05 -0.23 0.56 -0.71 0.30 -4.86 117.98 110.07 1dtk s PHE 33 Ca 0.60 -0.35 -0.10 0.00 -1.04 0.00 0.00 56.93 56.04 1dtk s PHE 33 Cb -0.15 0.65 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 1dtk s PHE 33 CO 0.55 -0.69 0.14 -0.51 -1.34 0.00 0.00 175.22 173.37 1dtk s ASP 34 N -3.51 5.95 0.55 1.98 1.01 -1.26 -0.63 116.67 120.75 1dtk s ASP 34 Ca 0.24 0.07 -0.15 0.00 0.71 0.00 0.00 52.55 53.42 1dtk s ASP 34 Cb -0.02 -2.07 -0.07 0.00 1.01 0.00 0.00 42.92 41.78 1dtk s ASP 34 CO 0.03 0.07 1.00 -0.47 0.21 0.00 0.00 175.17 176.00 1dtk s TYR 35 N 1.04 3.51 0.00 4.23 5.04 0.29 -4.73 117.35 126.73 1dtk s TYR 35 Ca 0.07 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 1dtk s TYR 35 Cb -0.14 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.41 1dtk s TYR 35 CO 0.04 -0.46 0.05 -1.13 -1.34 0.00 0.00 175.55 172.71 1dtk n SER 36 N -1.93 0.00 0.00 4.32 3.41 -0.19 -0.49 113.62 118.74 1dtk n SER 36 Ca 0.06 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1dtk n SER 36 Cb 0.54 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1dtk n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dtk n GLY 37 N 2.18 1.93 3.89 5.00 0.00 -1.26 -4.33 105.19 112.60 1dtk n GLY 37 Ca 0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 0.04 -0.14 3.84 0.00 0.00 -1.26 -3.95 105.19 103.72 1dtk n GLY 39 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1dtk n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dtk s GLY 40 N -2.09 2.10 0.62 -0.02 0.00 -1.26 -4.59 107.32 102.09 1dtk s GLY 40 Ca 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 44.72 44.87 1dtk s GLY 40 CO 0.00 0.50 0.84 1.16 0.00 0.00 0.00 173.10 175.60 1dtk n ASN 41 N -1.50 0.43 0.05 1.64 0.23 -1.26 -5.00 115.26 109.84 1dtk n ASN 41 Ca 0.07 -1.53 0.12 0.00 -0.53 0.00 0.00 54.58 52.71 1dtk n ASN 41 Cb 0.54 -0.61 0.48 0.00 -2.08 0.00 0.00 39.78 38.11 1dtk n ASN 41 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dtk n ALA 42 N -3.33 2.11 -1.67 -2.53 0.00 -1.26 -4.47 120.51 109.35 1dtk n ALA 42 Ca -0.14 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1dtk n ALA 42 Cb 0.41 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 1dtk n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1dtk n ASN 43 N -1.83 3.62 -3.66 0.00 2.85 -1.26 -4.83 115.26 110.14 1dtk n ASN 43 Ca 0.05 -2.81 -0.06 0.00 -0.11 0.00 0.00 54.58 51.65 1dtk n ASN 43 Cb 0.32 -1.54 -0.07 0.00 1.24 0.00 0.00 39.78 39.73 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 3.80 0.54 -0.01 1.20 3.52 -1.26 -4.54 118.95 122.20 1dtk s ARG 44 Ca 0.51 1.16 -0.00 0.00 -0.13 0.00 0.00 55.73 57.27 1dtk s ARG 44 Cb 0.13 0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.86 1dtk s ARG 44 CO -0.02 -0.18 0.01 -0.06 -0.81 0.00 0.00 175.30 174.24 1dtk s PHE 45 N 2.09 0.00 0.39 5.12 0.08 0.40 -4.99 117.98 121.07 1dtk s PHE 45 Ca -0.07 0.04 0.25 0.00 0.12 0.00 0.00 56.93 57.27 1dtk s PHE 45 Cb -0.09 -0.06 1.32 0.00 -0.57 0.00 0.00 43.02 43.63 1dtk s PHE 45 CO -0.17 -0.02 2.03 1.57 -0.10 0.00 0.00 175.22 178.52 1dtk h LYS 46 N 6.42 0.00 -6.48 0.44 2.10 -1.90 0.31 116.57 117.46 1dtk h LYS 46 Ca -0.29 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.72 1dtk h LYS 46 Cb 1.19 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.35 1dtk h LYS 46 CO 0.50 0.15 -0.80 0.95 -2.00 0.00 0.00 179.45 178.25 1dtk s THR 47 N -4.17 2.39 0.31 0.07 -4.23 -1.26 -4.65 115.64 104.10 1dtk s THR 47 Ca -0.03 -2.15 0.03 0.00 -1.18 0.00 0.00 61.69 58.36 1dtk s THR 47 Cb 0.13 -2.18 0.12 0.00 1.34 0.00 0.00 72.50 71.91 1dtk s THR 47 CO 0.61 -0.21 1.80 -0.29 -0.54 0.00 0.00 174.62 175.99 1dtk h ILE 48 N 2.91 1.23 -0.30 2.99 6.09 -1.94 -3.21 117.51 125.28 1dtk h ILE 48 Ca -0.44 -1.00 -0.00 0.00 -1.37 0.00 0.00 64.86 62.04 1dtk h ILE 48 Cb 1.22 1.11 -0.01 0.00 0.47 0.00 0.00 36.82 39.61 1dtk h ILE 48 CO 0.52 0.33 0.17 -0.33 -3.07 0.00 0.00 178.15 175.77 1dtk h GLU 49 N 0.49 0.41 -0.76 2.19 3.07 -1.97 0.29 114.58 118.29 1dtk h GLU 49 Ca 0.09 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.88 1dtk h GLU 49 Cb 0.48 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.27 1dtk h GLU 49 CO 0.03 0.33 0.37 0.93 -1.40 0.00 0.00 179.01 179.26 1dtk h GLU 50 N 0.37 1.09 0.38 2.33 3.07 -1.96 0.16 114.58 120.02 1dtk h GLU 50 Ca 0.11 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1dtk h GLU 50 Cb 0.03 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1dtk h GLU 50 CO -0.02 0.83 -0.18 0.00 -1.40 0.00 0.00 179.01 178.24 1dtk h ARG 52 N -0.65 0.32 0.00 0.00 2.43 -0.04 -0.55 114.38 115.89 1dtk h ARG 52 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1dtk h ARG 52 Cb 0.47 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1dtk h ARG 52 CO 0.09 0.21 0.00 0.07 -1.51 0.00 0.00 179.97 178.83 1dtk h ARG 53 N 0.33 0.00 0.00 0.20 -0.00 -0.74 0.28 114.38 114.46 1dtk h ARG 53 Ca 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.09 1dtk h ARG 53 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.06 1dtk h ARG 53 CO -0.14 0.00 -0.37 1.15 -0.00 0.00 0.00 179.97 180.61 1dtk h THR 54 N 0.00 0.75 0.09 0.08 2.02 -0.89 -3.41 112.91 111.55 1dtk h THR 54 Ca 0.00 -1.67 -0.29 0.00 0.77 0.00 0.00 66.41 65.22 1dtk h THR 54 Cb 0.53 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1dtk h THR 54 CO 0.00 0.25 -1.46 0.00 0.37 0.00 0.00 175.52 174.68 1dtk s VAL 56 N -2.63 1.84 0.00 0.00 1.01 0.99 -3.70 120.40 117.91 1dtk s VAL 56 Ca -0.07 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.20 1dtk s VAL 56 Cb 0.07 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1dtk s VAL 56 CO 0.85 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.56