#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 0.26 0.11 0.00 0.00 -1.26 -4.93 121.76 115.94 1dtk s ALA 2 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 51.96 50.94 1dtk s ALA 2 Cb 0.00 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 23.19 1dtk s ALA 2 CO 0.00 -0.20 1.66 -0.22 0.00 0.00 0.00 175.76 177.00 1dtk h LYS 3 N 4.26 -0.40 -0.00 0.00 3.64 -2.02 -2.00 116.57 120.04 1dtk h LYS 3 Ca -0.33 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1dtk h LYS 3 Cb 1.19 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1dtk h LYS 3 CO 0.47 -0.27 0.09 0.10 -2.27 0.00 0.00 179.45 177.57 1dtk h TYR 4 N -0.42 0.00 -0.48 1.91 -0.00 -1.97 -1.50 116.97 114.50 1dtk h TYR 4 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 58.73 58.89 1dtk h TYR 4 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.14 1dtk h TYR 4 CO -0.20 0.00 0.41 0.00 -0.00 0.00 0.00 178.16 178.37 1dtk h LYS 6 N 0.00 0.00 -6.89 0.00 1.57 -1.43 -3.39 116.57 106.43 1dtk h LYS 6 Ca 0.23 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.49 1dtk h LYS 6 Cb 1.04 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.42 1dtk h LYS 6 CO -0.00 0.00 0.61 -0.51 -0.57 0.00 0.00 179.45 178.98 1dtk s LEU 7 N -5.46 4.39 0.00 2.94 1.43 0.19 -4.68 118.68 117.49 1dtk s LEU 7 Ca 0.03 2.62 -0.09 0.00 -1.03 0.00 0.00 54.13 55.66 1dtk s LEU 7 Cb 0.09 -3.71 0.12 0.00 0.03 0.00 0.00 46.19 42.72 1dtk s LEU 7 CO 0.49 -0.55 0.66 -0.81 0.23 0.00 0.00 176.35 176.37 1dtk n PRO 8 N 0.69 -0.89 -1.67 1.29 -0.04 -1.26 -4.55 135.00 128.56 1dtk n PRO 8 Ca 0.01 -1.02 -0.46 0.00 -0.04 0.00 0.00 63.50 61.98 1dtk n PRO 8 Cb 0.43 -0.72 -0.04 0.00 -0.04 0.00 0.00 33.50 33.12 1dtk n PRO 8 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1dtk n LEU 9 N 0.00 3.21 -3.23 1.53 7.94 -1.26 -4.94 117.00 120.25 1dtk n LEU 9 Ca 0.08 1.05 -0.22 0.00 -1.11 0.00 0.00 56.01 55.81 1dtk n LEU 9 Cb 0.30 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 42.76 1dtk n LEU 9 CO 0.21 -0.21 -0.22 -1.14 -1.11 0.00 0.00 177.39 174.92 1dtk n ARG 10 N 4.34 0.34 -0.16 1.96 3.00 -1.26 -5.00 116.66 119.87 1dtk n ARG 10 Ca 0.18 -2.93 -0.11 0.00 -0.00 0.00 0.00 57.85 54.99 1dtk n ARG 10 Cb 0.29 -1.57 -0.00 0.00 0.00 0.00 0.00 32.46 31.18 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 4.28 1.27 0.00 5.15 1.08 -1.92 -3.38 117.51 123.99 1dtk h ILE 11 Ca 0.19 -1.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.38 1dtk h ILE 11 Cb 0.94 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 1dtk h ILE 11 CO 0.32 0.44 0.00 0.61 -0.69 0.00 0.00 178.15 178.83 1dtk n GLY 12 N -0.19 -1.41 1.74 5.37 0.00 -1.26 -0.81 105.19 108.63 1dtk n GLY 12 Ca 0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.49 1.54 -2.79 1.61 -0.04 -1.26 -4.55 135.00 129.02 1dtk n PRO 13 Ca 0.00 -1.07 -0.21 0.00 -0.04 0.00 0.00 63.50 62.18 1dtk n PRO 13 Cb 0.00 -1.42 0.03 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.20 3.52 -3.88 0.00 2.85 -1.26 -4.90 118.16 112.29 1dtk n LYS 15 Ca 0.06 -4.57 -0.08 0.00 -1.05 0.00 0.00 58.31 52.67 1dtk n LYS 15 Cb 0.59 -2.27 -0.03 0.00 -0.65 0.00 0.00 35.03 32.66 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 -3.67 1.65 -0.28 -1.58 1.81 -1.26 -5.15 118.95 110.47 1dtk s ARG 16 Ca 0.48 -1.05 -0.13 0.00 -1.72 0.00 0.00 55.73 53.31 1dtk s ARG 16 Cb 0.33 0.55 0.10 0.00 -0.45 0.00 0.00 34.95 35.48 1dtk s ARG 16 CO -0.19 -0.73 0.64 0.15 -0.68 0.00 0.00 175.30 174.50 1dtk s LYS 17 N -3.94 0.62 -0.05 3.54 1.02 -1.25 -4.43 119.74 115.25 1dtk s LYS 17 Ca 0.14 1.28 -0.00 0.00 0.02 0.00 0.00 55.97 57.41 1dtk s LYS 17 Cb -0.04 0.44 0.03 0.00 -0.52 0.00 0.00 37.83 37.74 1dtk s LYS 17 CO 0.06 -0.18 -0.01 0.42 -0.92 0.00 0.00 175.35 174.73 1dtk s ILE 18 N 2.18 0.32 0.26 2.17 1.09 0.91 -4.93 121.20 123.19 1dtk s ILE 18 Ca -0.08 0.07 -0.30 0.00 -1.10 0.00 0.00 60.65 59.24 1dtk s ILE 18 Cb -0.08 -0.43 -0.11 0.00 -1.06 0.00 0.00 42.46 40.78 1dtk s ILE 18 CO -0.19 0.21 1.54 -2.16 -0.10 0.00 0.00 174.94 174.24 1dtk s PRO 19 N 1.43 4.19 0.30 2.79 0.04 -1.26 -0.32 135.00 142.17 1dtk s PRO 19 Ca -0.04 2.45 -0.00 0.00 0.04 0.00 0.00 61.00 63.45 1dtk s PRO 19 Cb -0.13 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1dtk s PRO 19 CO -0.03 -0.55 0.39 0.43 0.04 0.00 0.00 177.00 177.28 1dtk n SER 20 N 2.53 -1.06 -4.34 6.66 7.64 0.50 -4.85 113.62 120.69 1dtk n SER 20 Ca 0.09 -2.67 -0.24 0.00 1.01 0.00 0.00 58.87 57.06 1dtk n SER 20 Cb 0.39 2.04 -0.12 0.00 -1.01 0.00 0.00 64.21 65.51 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 -3.20 1.92 0.23 1.43 0.40 0.99 -0.34 117.98 119.41 1dtk s PHE 21 Ca 0.27 -0.43 -0.05 0.00 -0.60 0.00 0.00 56.93 56.12 1dtk s PHE 21 Cb -0.00 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 1dtk s PHE 21 CO 0.19 0.32 0.28 1.52 0.70 0.00 0.00 175.22 178.23 1dtk s TYR 22 N -1.67 0.90 -0.35 0.36 1.13 -0.03 -0.51 117.35 117.17 1dtk s TYR 22 Ca 0.14 -1.16 -0.12 0.00 -1.41 0.00 0.00 57.07 54.52 1dtk s TYR 22 Cb -0.08 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.51 1dtk s TYR 22 CO 0.06 -0.80 0.22 -0.47 -2.51 0.00 0.00 175.55 172.05 1dtk s TYR 23 N -4.02 3.22 -0.94 -3.49 6.14 -1.26 -0.49 117.35 116.51 1dtk s TYR 23 Ca 0.33 -0.51 -0.23 0.00 0.64 0.00 0.00 57.07 57.30 1dtk s TYR 23 Cb 0.04 -2.46 0.06 0.00 0.42 0.00 0.00 41.96 40.01 1dtk s TYR 23 CO 0.12 -0.48 1.35 0.21 0.64 0.00 0.00 175.55 177.39 1dtk s LYS 24 N 1.66 3.50 0.30 4.97 2.20 0.66 -4.78 119.74 128.23 1dtk s LYS 24 Ca 0.05 -1.04 0.01 0.00 -0.36 0.00 0.00 55.97 54.62 1dtk s LYS 24 Cb -0.18 -5.03 0.53 0.00 -1.51 0.00 0.00 37.83 31.64 1dtk s LYS 24 CO 0.09 -2.12 1.89 2.35 -0.36 0.00 0.00 175.35 177.20 1dtk h TRP 25 N 9.69 1.07 -0.88 4.03 2.91 -1.80 0.48 115.95 131.45 1dtk h TRP 25 Ca 0.08 0.03 0.12 0.00 1.13 0.00 0.00 58.89 60.25 1dtk h TRP 25 Cb 1.02 -0.35 -0.07 0.00 -0.51 0.00 0.00 29.16 29.25 1dtk h TRP 25 CO 1.22 0.53 0.57 -0.22 -1.03 0.00 0.00 178.44 179.51 1dtk h LYS 26 N 1.03 0.75 0.00 2.65 3.64 -1.90 -1.57 116.57 121.17 1dtk h LYS 26 Ca 0.42 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1dtk h LYS 26 Cb 0.28 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1dtk h LYS 26 CO -0.17 0.50 -1.22 0.00 -2.27 0.00 0.00 179.45 176.28 1dtk n ALA 27 N -2.42 3.07 -3.35 5.00 0.00 0.36 -5.01 120.51 118.16 1dtk n ALA 27 Ca 0.16 -0.39 -0.18 0.00 0.00 0.00 0.00 53.44 53.04 1dtk n ALA 27 Cb 0.39 -0.96 0.07 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.20 -6.37 -3.66 0.00 5.02 0.14 -5.04 118.16 106.05 1dtk n LYS 28 Ca 0.00 0.73 -0.10 0.00 -2.02 0.00 0.00 58.31 56.92 1dtk n LYS 28 Cb 0.49 -5.44 -0.05 0.00 -0.02 0.00 0.00 35.03 30.02 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 -5.67 1.03 0.09 1.97 -2.07 -1.20 -4.98 119.66 108.83 1dtk s GLN 29 Ca 0.26 -0.73 -0.29 0.00 -1.82 0.00 0.00 55.36 52.77 1dtk s GLN 29 Cb -0.11 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.20 1dtk s GLN 29 CO 0.63 -0.40 0.94 0.00 -1.32 0.00 0.00 175.29 175.15 1dtk s LEU 31 N 0.16 2.17 0.70 0.00 1.43 0.35 -4.94 118.68 118.56 1dtk s LEU 31 Ca 0.47 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 1dtk s LEU 31 Cb -0.23 0.16 0.01 0.00 0.03 0.00 0.00 46.19 46.17 1dtk s LEU 31 CO 0.29 -0.31 1.06 -2.16 0.23 0.00 0.00 176.35 175.46 1dtk s PRO 32 N -1.50 2.89 0.15 1.29 0.04 -1.26 -0.85 135.00 135.76 1dtk s PRO 32 Ca -0.15 0.89 -0.22 0.00 0.04 0.00 0.00 61.00 61.56 1dtk s PRO 32 Cb -0.09 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.53 1dtk s PRO 32 CO -0.01 -1.12 1.02 1.97 0.04 0.00 0.00 177.00 178.91 1dtk n PHE 33 N -3.14 -1.19 -3.95 0.56 -1.74 0.53 -4.84 117.46 103.69 1dtk n PHE 33 Ca 0.07 -1.14 -0.35 0.00 -0.56 0.00 0.00 57.45 55.47 1dtk n PHE 33 Cb 0.54 0.55 -0.14 0.00 1.52 0.00 0.00 39.48 41.96 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 -3.40 4.43 0.24 5.98 1.01 -1.26 -0.37 116.67 123.30 1dtk s ASP 34 Ca 0.23 -0.35 -0.12 0.00 0.71 0.00 0.00 52.55 53.02 1dtk s ASP 34 Cb -0.02 -1.76 -0.08 0.00 1.01 0.00 0.00 42.92 42.07 1dtk s ASP 34 CO 0.04 -0.00 0.60 -0.47 0.21 0.00 0.00 175.17 175.55 1dtk s TYR 35 N 1.38 3.45 -0.04 4.23 5.04 0.56 -4.76 117.35 127.20 1dtk s TYR 35 Ca 0.05 1.00 -0.03 0.00 -2.44 0.00 0.00 57.07 55.65 1dtk s TYR 35 Cb -0.14 -2.35 -0.01 0.00 0.35 0.00 0.00 41.96 39.80 1dtk s TYR 35 CO -0.02 0.26 0.17 0.66 -1.34 0.00 0.00 175.55 175.28 1dtk h SER 36 N 2.68 -0.08 0.00 4.32 4.64 -1.18 0.26 113.55 124.19 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 1.18 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1dtk h SER 36 CO 0.68 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 1dtk n GLY 37 N 1.46 0.82 0.00 -0.77 0.00 -1.26 -3.86 105.19 101.58 1dtk n GLY 37 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 5.00 -2.27 7.00 0.00 0.00 -1.26 -4.90 105.19 108.76 1dtk n GLY 39 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -1.09 0.85 0.08 -0.02 0.00 -1.26 -4.98 105.19 98.78 1dtk n GLY 40 Ca 0.01 -0.81 -0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.26 -0.04 -0.00 1.61 0.23 -1.26 -4.94 115.26 107.59 1dtk n ASN 41 Ca 0.00 -1.04 0.14 0.00 -0.53 0.00 0.00 54.58 53.15 1dtk n ASN 41 Cb 0.00 0.08 0.66 0.00 -2.08 0.00 0.00 39.78 38.43 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 -2.95 2.40 -1.95 -2.53 0.00 -1.26 -4.31 120.51 109.91 1dtk n ALA 42 Ca -0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1dtk n ALA 42 Cb 0.01 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.43 6.87 -3.67 0.00 2.85 -1.26 -4.86 115.26 113.77 1dtk n ASN 43 Ca 0.09 -3.00 -0.11 0.00 -0.11 0.00 0.00 54.58 51.45 1dtk n ASN 43 Cb 0.31 -1.46 -0.11 0.00 1.24 0.00 0.00 39.78 39.76 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 0.31 0.27 0.02 1.20 3.52 -1.26 -4.45 118.95 118.56 1dtk s ARG 44 Ca 0.52 0.88 0.04 0.00 -0.13 0.00 0.00 55.73 57.04 1dtk s ARG 44 Cb 0.15 0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.66 1dtk s ARG 44 CO -0.06 -0.24 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.01 1dtk s PHE 45 N 2.29 1.06 -0.41 5.12 0.08 0.33 -4.97 117.98 121.47 1dtk s PHE 45 Ca -0.02 -0.30 0.26 0.00 0.12 0.00 0.00 56.93 56.99 1dtk s PHE 45 Cb -0.11 -0.64 0.93 0.00 -0.57 0.00 0.00 43.02 42.63 1dtk s PHE 45 CO -0.11 0.01 1.78 0.87 -0.10 0.00 0.00 175.22 177.66 1dtk h LYS 46 N 5.22 0.00 -4.39 0.44 1.57 -1.92 0.28 116.57 117.77 1dtk h LYS 46 Ca -0.35 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.21 1dtk h LYS 46 Cb 1.18 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.30 1dtk h LYS 46 CO 0.45 0.00 -0.71 0.95 -0.57 0.00 0.00 179.45 179.58 1dtk s THR 47 N -3.33 0.42 0.35 -0.16 -4.23 -1.26 -4.69 115.64 102.73 1dtk s THR 47 Ca 0.06 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.23 1dtk s THR 47 Cb 0.09 -0.93 0.27 0.00 1.34 0.00 0.00 72.50 73.28 1dtk s THR 47 CO 0.52 -0.63 1.98 -0.29 -0.54 0.00 0.00 174.62 175.66 1dtk h ILE 48 N 3.95 1.12 -0.34 2.99 6.09 -1.95 -2.42 117.51 126.94 1dtk h ILE 48 Ca -0.34 -0.30 -0.11 0.00 -1.37 0.00 0.00 64.86 62.74 1dtk h ILE 48 Cb 1.18 0.18 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 1dtk h ILE 48 CO 0.51 0.16 -0.23 -0.33 -3.07 0.00 0.00 178.15 175.19 1dtk h GLU 49 N 0.86 0.76 -0.21 2.19 5.08 -1.98 0.22 114.58 121.50 1dtk h GLU 49 Ca 0.28 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1dtk h GLU 49 Cb 0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1dtk h GLU 49 CO -0.08 0.98 0.08 0.93 -1.00 0.00 0.00 179.01 179.92 1dtk h GLU 50 N 0.54 0.18 0.14 2.33 4.39 -1.93 0.24 114.58 120.46 1dtk h GLU 50 Ca 0.07 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.77 1dtk h GLU 50 Cb 0.79 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1dtk h GLU 50 CO 0.06 0.12 -0.29 0.00 -1.16 0.00 0.00 179.01 177.74 1dtk h ARG 52 N -0.51 0.13 -0.72 0.00 2.43 -0.19 -0.09 114.38 115.43 1dtk h ARG 52 Ca 0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1dtk h ARG 52 Cb 0.53 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1dtk h ARG 52 CO -0.15 0.09 0.46 0.00 -1.51 0.00 0.00 179.97 178.86 1dtk h ARG 53 N 0.14 0.95 0.20 0.20 2.47 -0.37 0.19 114.38 118.17 1dtk h ARG 53 Ca 0.12 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1dtk h ARG 53 Cb 0.13 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 1dtk h ARG 53 CO -0.17 0.65 -0.10 1.15 0.56 0.00 0.00 179.97 182.06 1dtk h THR 54 N 0.98 0.74 0.03 2.04 2.02 -0.43 -3.42 112.91 114.88 1dtk h THR 54 Ca 0.26 -1.01 -0.22 0.00 0.77 0.00 0.00 66.41 66.21 1dtk h THR 54 Cb -0.09 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1dtk h THR 54 CO -0.05 0.18 -1.20 0.00 0.37 0.00 0.00 175.52 174.82 1dtk n VAL 56 N -4.29 0.00 -1.06 0.00 0.31 0.67 -3.10 118.33 110.86 1dtk n VAL 56 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1dtk n VAL 56 Cb 0.72 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12