#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dtk n ALA 2 N 0.00 -1.76 0.14 0.00 0.00 -1.26 -4.51 120.51 113.12 1dtk n ALA 2 Ca 0.00 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.69 1dtk n ALA 2 Cb 0.00 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.11 1dtk n ALA 2 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1dtk h LYS 3 N 2.20 -0.37 0.00 0.00 3.64 -2.02 -3.02 116.57 116.99 1dtk h LYS 3 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1dtk h LYS 3 Cb 0.00 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1dtk h LYS 3 CO 0.00 -0.04 0.15 0.10 -2.27 0.00 0.00 179.45 177.38 1dtk h TYR 4 N -0.76 0.00 -0.01 1.91 -0.00 -1.98 -1.83 116.97 114.29 1dtk h TYR 4 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.69 1dtk h TYR 4 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.23 1dtk h TYR 4 CO 0.03 0.00 0.18 0.00 -0.00 0.00 0.00 178.16 178.37 1dtk h LYS 6 N 0.00 0.00 -6.91 0.00 1.57 -1.53 -3.37 116.57 106.32 1dtk h LYS 6 Ca 0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1dtk h LYS 6 Cb 0.37 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.76 1dtk h LYS 6 CO -0.00 0.06 0.71 -0.51 -0.57 0.00 0.00 179.45 179.15 1dtk s LEU 7 N -6.64 4.37 0.00 2.94 1.43 0.28 -4.72 118.68 116.34 1dtk s LEU 7 Ca -0.02 2.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 1dtk s LEU 7 Cb 0.12 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1dtk s LEU 7 CO 0.54 -0.71 0.00 -0.81 0.23 0.00 0.00 176.35 175.59 1dtk n PRO 8 N 0.64 0.23 -1.85 1.29 -0.04 -1.26 -4.58 135.00 129.43 1dtk n PRO 8 Ca 0.01 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.25 1dtk n PRO 8 Cb 0.40 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.79 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 2.83 -1.20 1.53 2.96 -1.26 -4.86 118.68 118.68 1dtk s LEU 9 Ca 0.00 -1.00 -0.13 0.00 -0.22 0.00 0.00 54.13 52.78 1dtk s LEU 9 Cb 0.00 -2.58 0.18 0.00 0.50 0.00 0.00 46.19 44.29 1dtk s LEU 9 CO 0.00 -3.65 1.41 -1.14 -1.32 0.00 0.00 176.35 171.65 1dtk n ARG 10 N 8.44 3.39 -0.15 1.98 3.00 -1.26 -4.80 116.66 127.26 1dtk n ARG 10 Ca 0.43 -3.91 -0.08 0.00 -0.00 0.00 0.00 57.85 54.29 1dtk n ARG 10 Cb 0.46 -2.99 0.00 0.00 0.00 0.00 0.00 32.46 29.93 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 4.54 1.19 0.00 5.15 1.08 -1.88 -3.43 117.51 124.16 1dtk h ILE 11 Ca 0.31 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1dtk h ILE 11 Cb 0.87 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1dtk h ILE 11 CO 1.23 0.21 0.00 0.61 -0.69 0.00 0.00 178.15 179.51 1dtk n GLY 12 N -0.86 0.49 1.98 5.37 0.00 -1.26 -0.73 105.19 110.18 1dtk n GLY 12 Ca 0.01 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 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 0.89 1.87 -3.50 1.61 -0.04 -1.20 -4.60 135.00 130.04 1dtk n PRO 13 Ca 0.00 -1.04 -0.21 0.00 -0.04 0.00 0.00 63.50 62.22 1dtk n PRO 13 Cb 0.00 -1.83 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 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 -1.61 3.43 -4.46 0.00 2.85 -1.26 -4.87 118.16 112.24 1dtk n LYS 15 Ca 0.04 -4.20 -0.23 0.00 -1.05 0.00 0.00 58.31 52.87 1dtk n LYS 15 Cb 0.62 -2.27 -0.09 0.00 -0.65 0.00 0.00 35.03 32.64 1dtk n LYS 15 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1dtk s ARG 16 N -3.62 1.83 -0.32 -1.58 0.52 -1.26 -5.11 118.95 109.42 1dtk s ARG 16 Ca 0.51 -2.09 -0.00 0.00 -0.52 0.00 0.00 55.73 53.63 1dtk s ARG 16 Cb 0.42 -0.48 0.13 0.00 0.52 0.00 0.00 34.95 35.54 1dtk s ARG 16 CO -0.08 -0.46 0.27 0.21 0.02 0.00 0.00 175.30 175.27 1dtk s LYS 17 N -3.73 0.40 -0.22 3.54 2.20 -1.22 -4.34 119.74 116.36 1dtk s LYS 17 Ca 0.28 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 55.37 1dtk s LYS 17 Cb 0.04 -0.86 0.05 0.00 -1.51 0.00 0.00 37.83 35.54 1dtk s LYS 17 CO 0.16 -1.09 -0.13 0.42 -0.36 0.00 0.00 175.35 174.35 1dtk s ILE 18 N 1.92 2.00 0.21 5.43 1.01 0.56 -4.97 121.20 127.36 1dtk s ILE 18 Ca 0.12 -1.29 -0.31 0.00 0.00 0.00 0.00 60.65 59.17 1dtk s ILE 18 Cb -0.16 -2.02 -0.11 0.00 0.01 0.00 0.00 42.46 40.18 1dtk s ILE 18 CO -0.23 0.17 1.59 -2.16 0.00 0.00 0.00 174.94 174.32 1dtk s PRO 19 N 1.23 4.18 0.31 2.79 0.04 -1.26 -0.26 135.00 142.03 1dtk s PRO 19 Ca -0.03 2.45 0.05 0.00 0.04 0.00 0.00 61.00 63.51 1dtk s PRO 19 Cb -0.17 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1dtk s PRO 19 CO -0.08 -0.62 0.31 0.43 0.04 0.00 0.00 177.00 177.07 1dtk n SER 20 N 3.47 -0.80 -4.31 6.66 7.64 0.14 -4.83 113.62 121.60 1dtk n SER 20 Ca 0.13 -2.93 -0.26 0.00 1.01 0.00 0.00 58.87 56.82 1dtk n SER 20 Cb 0.38 1.73 -0.13 0.00 -1.01 0.00 0.00 64.21 65.17 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 -3.19 1.95 0.20 1.43 0.40 0.11 -0.44 117.98 118.43 1dtk s PHE 21 Ca 0.34 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 56.25 1dtk s PHE 21 Cb 0.01 -1.09 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 1dtk s PHE 21 CO 0.24 0.21 0.16 1.52 0.70 0.00 0.00 175.22 178.05 1dtk s TYR 22 N -1.04 1.07 -0.40 0.36 1.13 -0.28 -0.58 117.35 117.60 1dtk s TYR 22 Ca 0.09 -1.31 -0.14 0.00 -1.41 0.00 0.00 57.07 54.30 1dtk s TYR 22 Cb -0.10 -0.49 0.03 0.00 -1.10 0.00 0.00 41.96 40.30 1dtk s TYR 22 CO 0.04 -0.67 0.27 -0.47 -2.51 0.00 0.00 175.55 172.21 1dtk s TYR 23 N -4.14 3.24 -0.75 -3.49 6.14 -1.26 -0.45 117.35 116.65 1dtk s TYR 23 Ca 0.37 -0.76 -0.26 0.00 0.64 0.00 0.00 57.07 57.06 1dtk s TYR 23 Cb 0.06 -2.58 -0.00 0.00 0.42 0.00 0.00 41.96 39.86 1dtk s TYR 23 CO 0.11 -0.63 1.66 0.21 0.64 0.00 0.00 175.55 177.54 1dtk s LYS 24 N 1.63 2.89 0.42 4.97 2.20 -0.15 -4.82 119.74 126.88 1dtk s LYS 24 Ca 0.04 0.01 0.17 0.00 -0.36 0.00 0.00 55.97 55.82 1dtk s LYS 24 Cb -0.19 -4.55 1.06 0.00 -1.51 0.00 0.00 37.83 32.63 1dtk s LYS 24 CO 0.09 -2.61 1.87 2.35 -0.36 0.00 0.00 175.35 176.69 1dtk h TRP 25 N 12.30 0.54 0.00 4.03 2.91 -1.81 0.50 115.95 134.42 1dtk h TRP 25 Ca -0.15 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.88 1dtk h TRP 25 Cb 1.09 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.57 1dtk h TRP 25 CO 1.13 0.16 0.00 -0.22 -1.03 0.00 0.00 178.44 178.48 1dtk h LYS 26 N 0.43 0.00 0.00 2.65 3.11 -1.91 -2.51 116.57 118.34 1dtk h LYS 26 Ca 0.44 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.26 1dtk h LYS 26 Cb 1.06 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.28 1dtk h LYS 26 CO -0.16 0.00 -1.39 0.00 -2.81 0.00 0.00 179.45 175.09 1dtk n ALA 27 N -2.02 2.23 -3.09 5.00 0.00 0.42 -5.04 120.51 118.01 1dtk n ALA 27 Ca -0.01 -0.24 -0.16 0.00 0.00 0.00 0.00 53.44 53.03 1dtk n ALA 27 Cb 0.14 -0.22 0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.85 -4.68 -3.82 0.00 5.02 0.15 -5.05 118.16 107.93 1dtk n LYS 28 Ca -0.03 0.57 -0.11 0.00 -2.02 0.00 0.00 58.31 56.72 1dtk n LYS 28 Cb 0.29 -4.77 -0.08 0.00 -0.02 0.00 0.00 35.03 30.45 1dtk n LYS 28 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1dtk s GLN 29 N -5.70 0.71 0.09 1.97 0.74 -1.20 -5.00 119.66 111.27 1dtk s GLN 29 Ca 0.33 -0.55 -0.30 0.00 0.05 0.00 0.00 55.36 54.89 1dtk s GLN 29 Cb -0.15 0.30 -0.05 0.00 1.10 0.00 0.00 33.01 34.21 1dtk s GLN 29 CO 0.41 -0.21 0.95 0.00 -0.55 0.00 0.00 175.29 175.90 1dtk s LEU 31 N 0.14 1.90 0.70 0.00 1.43 0.41 -4.95 118.68 118.31 1dtk s LEU 31 Ca 0.47 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 53.22 1dtk s LEU 31 Cb -0.23 0.29 0.02 0.00 0.03 0.00 0.00 46.19 46.30 1dtk s LEU 31 CO 0.29 -0.23 1.11 -2.16 0.23 0.00 0.00 176.35 175.60 1dtk s PRO 32 N -0.94 2.55 0.15 1.29 0.04 -1.26 -1.13 135.00 135.70 1dtk s PRO 32 Ca -0.10 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.16 1dtk s PRO 32 Cb -0.06 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1dtk s PRO 32 CO 0.00 -1.44 0.68 1.97 0.04 0.00 0.00 177.00 178.25 1dtk n PHE 33 N -2.79 -1.27 -3.87 0.56 -1.74 0.41 -4.84 117.46 103.92 1dtk n PHE 33 Ca 0.10 -0.96 -0.36 0.00 -0.56 0.00 0.00 57.45 55.68 1dtk n PHE 33 Cb 0.52 0.47 -0.14 0.00 1.52 0.00 0.00 39.48 41.85 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 -2.64 4.64 0.53 5.98 1.01 -1.26 -0.68 116.67 124.24 1dtk s ASP 34 Ca 0.15 -0.72 -0.17 0.00 0.71 0.00 0.00 52.55 52.51 1dtk s ASP 34 Cb -0.02 -1.76 -0.07 0.00 1.01 0.00 0.00 42.92 42.08 1dtk s ASP 34 CO 0.05 -0.13 1.02 -0.47 0.21 0.00 0.00 175.17 175.84 1dtk s TYR 35 N 1.42 3.19 -0.01 4.23 5.04 0.65 -4.78 117.35 127.08 1dtk s TYR 35 Ca 0.02 1.52 -0.02 0.00 -2.44 0.00 0.00 57.07 56.15 1dtk s TYR 35 Cb -0.16 -2.93 -0.01 0.00 0.35 0.00 0.00 41.96 39.21 1dtk s TYR 35 CO -0.02 -0.70 0.39 0.66 -1.34 0.00 0.00 175.55 174.55 1dtk h SER 36 N 0.97 -0.06 0.00 4.32 4.64 -1.12 0.16 113.55 122.46 1dtk h SER 36 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1dtk h SER 36 Cb 1.20 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1dtk h SER 36 CO 0.59 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 1dtk n GLY 37 N 0.87 1.40 3.26 -0.77 0.00 -1.26 -3.41 105.19 105.27 1dtk n GLY 37 Ca -0.01 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 0.95 -0.36 0.00 0.00 0.00 -1.26 -3.25 105.19 101.27 1dtk n GLY 39 Ca -0.19 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.62 -0.92 0.00 -0.02 0.00 -1.26 -4.20 105.19 97.18 1dtk n GLY 40 Ca -0.05 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 0.20 1.61 0.23 -1.26 -5.01 115.26 111.03 1dtk n ASN 41 Ca 0.00 -0.72 0.09 0.00 -0.53 0.00 0.00 54.58 53.41 1dtk n ASN 41 Cb 0.00 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 37.96 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 1.50 0.90 -0.06 -2.53 0.00 -2.01 -3.37 119.26 113.69 1dtk h ALA 42 Ca 0.00 -0.22 -0.69 0.00 0.00 0.00 0.00 54.91 54.00 1dtk h ALA 42 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1dtk h ALA 42 CO 0.00 0.30 3.41 -1.71 0.00 0.00 0.00 179.25 181.25 1dtk n ASN 43 N -3.23 6.44 -3.65 0.00 5.15 -1.26 -4.79 115.26 113.92 1dtk n ASN 43 Ca 0.02 -2.74 -0.06 0.00 -0.60 0.00 0.00 54.58 51.20 1dtk n ASN 43 Cb 0.55 -1.59 -0.07 0.00 -0.53 0.00 0.00 39.78 38.14 1dtk n ASN 43 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1dtk s ARG 44 N 2.41 0.62 0.01 1.20 3.52 -1.26 -4.47 118.95 120.97 1dtk s ARG 44 Ca 0.58 1.23 0.01 0.00 -0.13 0.00 0.00 55.73 57.42 1dtk s ARG 44 Cb 0.16 0.33 -0.01 0.00 -1.56 0.00 0.00 34.95 33.87 1dtk s ARG 44 CO -0.07 -0.17 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.16 1dtk s PHE 45 N 2.01 0.22 -0.18 5.12 0.40 0.25 -4.98 117.98 120.83 1dtk s PHE 45 Ca -0.08 -0.18 0.29 0.00 -0.60 0.00 0.00 56.93 56.36 1dtk s PHE 45 Cb -0.08 -0.14 1.12 0.00 0.51 0.00 0.00 43.02 44.43 1dtk s PHE 45 CO -0.19 -0.05 1.85 -0.22 0.70 0.00 0.00 175.22 177.32 1dtk h LYS 46 N 5.65 0.00 -4.49 0.44 3.64 -1.91 0.31 116.57 120.20 1dtk h LYS 46 Ca -0.28 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.82 1dtk h LYS 46 Cb 1.21 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.80 1dtk h LYS 46 CO 0.48 0.00 -0.74 0.95 -2.27 0.00 0.00 179.45 177.87 1dtk s THR 47 N -3.48 0.50 0.24 1.00 -4.23 -1.26 -4.65 115.64 103.75 1dtk s THR 47 Ca 0.03 -0.88 -0.05 0.00 -1.18 0.00 0.00 61.69 59.61 1dtk s THR 47 Cb 0.09 -0.54 0.16 0.00 1.34 0.00 0.00 72.50 73.55 1dtk s THR 47 CO 0.52 -0.27 1.79 -0.29 -0.54 0.00 0.00 174.62 175.83 1dtk h ILE 48 N 4.62 1.25 -0.72 2.99 -0.00 -1.94 -2.72 117.51 120.99 1dtk h ILE 48 Ca -0.34 -0.83 -0.07 0.00 -0.00 0.00 0.00 64.86 63.62 1dtk h ILE 48 Cb 1.20 0.46 -0.03 0.00 -0.00 0.00 0.00 36.82 38.45 1dtk h ILE 48 CO 0.43 0.33 0.18 1.05 -0.00 0.00 0.00 178.15 180.13 1dtk h GLU 49 N 1.02 1.15 0.11 2.19 9.09 -1.98 0.24 114.58 126.41 1dtk h GLU 49 Ca 0.23 -0.28 0.01 0.00 0.05 0.00 0.00 59.36 59.37 1dtk h GLU 49 Cb 0.26 -0.15 -0.02 0.00 -1.65 0.00 0.00 28.75 27.19 1dtk h GLU 49 CO -0.01 1.01 -0.14 1.49 0.05 0.00 0.00 179.01 181.40 1dtk h GLU 50 N 1.09 -0.29 -0.09 1.06 4.22 -1.94 0.19 114.58 118.81 1dtk h GLU 50 Ca 0.23 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.73 1dtk h GLU 50 Cb 0.37 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1dtk h GLU 50 CO 0.00 -0.19 -0.23 0.00 -2.18 0.00 0.00 179.01 176.41 1dtk h ARG 52 N -0.31 0.89 0.00 0.00 2.43 -0.35 -1.44 114.38 115.60 1dtk h ARG 52 Ca 0.09 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 1dtk h ARG 52 Cb 0.44 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1dtk h ARG 52 CO -0.27 0.86 -0.27 -0.09 -1.51 0.00 0.00 179.97 178.69 1dtk h ARG 53 N 0.78 0.00 0.07 0.20 9.65 -0.30 0.15 114.38 124.92 1dtk h ARG 53 Ca 0.17 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1dtk h ARG 53 Cb 0.39 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1dtk h ARG 53 CO 0.01 0.27 -0.04 1.15 2.80 0.00 0.00 179.97 184.16 1dtk h THR 54 N 0.00 1.14 0.06 0.20 2.02 -0.47 -3.41 112.91 112.44 1dtk h THR 54 Ca -0.00 -1.48 -0.34 0.00 0.77 0.00 0.00 66.41 65.36 1dtk h THR 54 Cb 0.49 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 1dtk h THR 54 CO 0.03 0.33 -1.97 0.00 0.37 0.00 0.00 175.52 174.28 1dtk n VAL 56 N -3.23 0.00 0.96 0.00 0.31 0.50 -4.11 118.33 112.75 1dtk n VAL 56 Ca -0.28 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.17 1dtk n VAL 56 Cb 1.05 -0.45 0.10 0.00 -0.91 0.00 0.00 33.84 33.63 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12