#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 -0.86 -0.25 0.00 0.00 -1.25 -4.86 120.51 113.30 1dtk n ALA 2 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.59 1dtk n ALA 2 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1dtk n ALA 2 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1dtk h LYS 3 N 1.62 -0.13 0.00 0.00 1.57 -2.01 0.79 116.57 118.41 1dtk h LYS 3 Ca -0.17 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1dtk h LYS 3 Cb 0.51 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1dtk h LYS 3 CO 0.32 -0.09 0.00 0.10 -0.57 0.00 0.00 179.45 179.22 1dtk h TYR 4 N -0.14 0.00 -0.21 -1.35 -0.00 -1.98 -2.28 116.97 111.01 1dtk h TYR 4 Ca 0.24 0.00 0.06 0.00 0.00 0.00 0.00 58.73 59.04 1dtk h TYR 4 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.28 1dtk h TYR 4 CO -0.71 0.00 0.30 0.00 -0.00 0.00 0.00 178.16 177.75 1dtk h LYS 6 N 0.00 0.00 -6.89 0.00 3.64 -1.57 -3.38 116.57 108.37 1dtk h LYS 6 Ca 0.10 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.94 1dtk h LYS 6 Cb 0.69 0.00 0.11 0.00 -0.41 0.00 0.00 32.23 32.61 1dtk h LYS 6 CO -0.00 0.12 0.76 1.28 -2.27 0.00 0.00 179.45 179.34 1dtk n LEU 7 N -3.45 4.55 0.00 5.20 4.77 0.40 -4.68 117.00 123.79 1dtk n LEU 7 Ca -0.01 1.21 -0.24 0.00 -0.03 0.00 0.00 56.01 56.94 1dtk n LEU 7 Cb 0.29 -1.60 0.18 0.00 -2.33 0.00 0.00 43.42 39.96 1dtk n LEU 7 CO 0.30 0.08 0.65 -0.81 -1.33 0.00 0.00 177.39 176.28 1dtk n PRO 8 N 0.79 -1.61 -1.67 3.23 -0.04 -1.26 -4.58 135.00 129.86 1dtk n PRO 8 Ca 0.03 -1.61 -0.52 0.00 -0.04 0.00 0.00 63.50 61.36 1dtk n PRO 8 Cb 0.38 -1.20 -0.06 0.00 -0.04 0.00 0.00 33.50 32.59 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 2.63 -3.57 1.53 7.94 -1.26 -4.94 117.00 119.33 1dtk n LEU 9 Ca 0.13 1.06 -0.29 0.00 -1.11 0.00 0.00 56.01 55.80 1dtk n LEU 9 Cb 0.48 -1.25 -0.13 0.00 0.53 0.00 0.00 43.42 43.05 1dtk n LEU 9 CO 0.34 -0.43 -0.29 -0.60 -1.11 0.00 0.00 177.39 175.30 1dtk s ARG 10 N 2.78 0.83 0.21 1.96 6.06 -1.26 -4.96 118.95 124.58 1dtk s ARG 10 Ca 0.92 -1.56 -0.01 0.00 -2.50 0.00 0.00 55.73 52.58 1dtk s ARG 10 Cb -0.89 -1.73 0.18 0.00 0.06 0.00 0.00 34.95 32.56 1dtk s ARG 10 CO 0.55 -1.18 1.54 0.82 -2.50 0.00 0.00 175.30 174.54 1dtk h ILE 11 N 5.21 1.33 0.00 4.11 1.08 -1.89 -3.45 117.51 123.89 1dtk h ILE 11 Ca 0.02 -1.77 0.00 0.00 -0.39 0.00 0.00 64.86 62.72 1dtk h ILE 11 Cb 0.96 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.47 1dtk h ILE 11 CO 0.36 0.54 0.00 0.61 -0.69 0.00 0.00 178.15 178.98 1dtk n GLY 12 N 0.18 -1.40 0.00 5.37 0.00 -1.26 -0.91 105.19 107.16 1dtk n GLY 12 Ca -0.03 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.06 0.24 -2.09 1.61 -0.04 -1.26 -4.75 135.00 127.65 1dtk n PRO 13 Ca 0.00 0.06 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 1dtk n PRO 13 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 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 -2.76 3.33 -2.91 0.00 0.00 -1.26 -4.66 118.16 109.90 1dtk n LYS 15 Ca 0.05 -4.07 -0.19 0.00 0.00 0.00 0.00 58.31 54.10 1dtk n LYS 15 Cb 0.56 -2.27 0.07 0.00 0.00 0.00 0.00 35.03 33.39 1dtk n LYS 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1dtk n ARG 16 N -0.65 0.59 -3.36 1.64 5.12 -1.26 -5.13 116.66 113.61 1dtk n ARG 16 Ca 0.46 -3.03 -0.11 0.00 -1.93 0.00 0.00 57.85 53.24 1dtk n ARG 16 Cb 0.75 -0.25 -0.08 0.00 -1.16 0.00 0.00 32.46 31.72 1dtk n ARG 16 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1dtk s LYS 17 N -4.58 0.35 -0.11 5.56 2.47 -1.25 -4.56 119.74 117.62 1dtk s LYS 17 Ca 0.60 0.25 -0.01 0.00 -1.56 0.00 0.00 55.97 55.25 1dtk s LYS 17 Cb -0.05 -0.52 0.03 0.00 -1.46 0.00 0.00 37.83 35.83 1dtk s LYS 17 CO 0.38 -0.84 -0.03 0.42 0.16 0.00 0.00 175.35 175.44 1dtk s ILE 18 N 2.49 0.73 0.33 5.43 1.01 0.52 -4.97 121.20 126.75 1dtk s ILE 18 Ca 0.11 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.28 1dtk s ILE 18 Cb -0.14 -0.86 -0.11 0.00 0.01 0.00 0.00 42.46 41.35 1dtk s ILE 18 CO -0.23 0.25 1.53 -2.16 0.00 0.00 0.00 174.94 174.33 1dtk s PRO 19 N 1.82 4.13 0.30 2.79 0.04 -1.26 0.04 135.00 142.86 1dtk s PRO 19 Ca 0.04 2.55 -0.07 0.00 0.04 0.00 0.00 61.00 63.56 1dtk s PRO 19 Cb -0.13 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1dtk s PRO 19 CO -0.07 -0.56 0.47 -1.12 0.04 0.00 0.00 177.00 175.76 1dtk s SER 20 N 0.17 0.44 0.14 6.66 0.01 0.13 -4.78 113.70 116.47 1dtk s SER 20 Ca 0.58 -1.26 0.08 0.00 1.31 0.00 0.00 55.95 56.66 1dtk s SER 20 Cb -0.47 0.63 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 1dtk s SER 20 CO 0.55 -1.24 -0.12 -0.36 0.41 0.00 0.00 173.24 172.48 1dtk s PHE 21 N -3.42 2.64 0.30 2.43 0.40 0.40 -0.40 117.98 120.34 1dtk s PHE 21 Ca 0.27 -0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.43 1dtk s PHE 21 Cb -0.00 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 1dtk s PHE 21 CO 0.15 0.46 0.28 1.52 0.70 0.00 0.00 175.22 178.34 1dtk s TYR 22 N -1.44 1.50 -0.21 0.36 1.13 -0.30 -0.39 117.35 118.01 1dtk s TYR 22 Ca 0.22 -1.53 -0.04 0.00 -1.41 0.00 0.00 57.07 54.32 1dtk s TYR 22 Cb -0.10 -0.56 -0.01 0.00 -1.10 0.00 0.00 41.96 40.19 1dtk s TYR 22 CO 0.14 -0.87 -0.05 -0.47 -2.51 0.00 0.00 175.55 171.79 1dtk s TYR 23 N -3.54 2.96 -0.24 -3.49 6.14 -1.26 -0.47 117.35 117.45 1dtk s TYR 23 Ca 0.38 -0.81 -0.24 0.00 0.64 0.00 0.00 57.07 57.05 1dtk s TYR 23 Cb 0.03 -2.07 -0.01 0.00 0.42 0.00 0.00 41.96 40.33 1dtk s TYR 23 CO 0.23 -0.45 0.78 0.21 0.64 0.00 0.00 175.55 176.96 1dtk s LYS 24 N 1.25 4.17 0.07 4.97 2.47 0.09 -4.72 119.74 128.05 1dtk s LYS 24 Ca 0.03 0.85 -0.14 0.00 -1.56 0.00 0.00 55.97 55.15 1dtk s LYS 24 Cb -0.14 -3.64 -0.25 0.00 -1.46 0.00 0.00 37.83 32.33 1dtk s LYS 24 CO -0.01 -0.48 1.16 2.35 0.16 0.00 0.00 175.35 178.53 1dtk h TRP 25 N 7.70 1.04 -0.14 4.03 2.91 -1.81 0.48 115.95 130.16 1dtk h TRP 25 Ca -0.24 -0.60 0.04 0.00 1.13 0.00 0.00 58.89 59.22 1dtk h TRP 25 Cb 1.10 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.64 1dtk h TRP 25 CO 0.75 1.44 0.16 -0.22 -1.03 0.00 0.00 178.44 179.54 1dtk h LYS 26 N 0.35 0.00 0.06 2.65 3.64 -1.92 -1.07 116.57 120.27 1dtk h LYS 26 Ca -0.15 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.87 1dtk h LYS 26 Cb 1.79 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.57 1dtk h LYS 26 CO 0.22 0.00 -2.10 0.00 -2.27 0.00 0.00 179.45 175.30 1dtk n ALA 27 N -2.33 1.21 -2.98 5.00 0.00 -1.12 -5.05 120.51 115.24 1dtk n ALA 27 Ca 0.01 -0.83 -0.10 0.00 0.00 0.00 0.00 53.44 52.51 1dtk n ALA 27 Cb 0.28 -0.52 0.05 0.00 0.00 0.00 0.00 19.45 19.25 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 -3.26 -1.78 -3.49 0.00 4.01 0.16 -5.07 118.16 108.73 1dtk n LYS 28 Ca -0.32 0.87 -0.12 0.00 -0.51 0.00 0.00 58.31 58.23 1dtk n LYS 28 Cb 1.05 -5.23 -0.03 0.00 -0.51 0.00 0.00 35.03 30.31 1dtk n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1dtk s GLN 29 N -3.96 0.96 0.07 1.97 -0.21 -0.84 -5.00 119.66 112.65 1dtk s GLN 29 Ca 0.32 -0.17 -0.28 0.00 0.02 0.00 0.00 55.36 55.25 1dtk s GLN 29 Cb -0.04 0.45 -0.05 0.00 1.00 0.00 0.00 33.01 34.36 1dtk s GLN 29 CO 0.64 -0.38 0.89 0.00 -2.12 0.00 0.00 175.29 174.32 1dtk s LEU 31 N 0.16 1.90 0.69 0.00 1.43 0.39 -4.95 118.68 118.29 1dtk s LEU 31 Ca 0.45 -0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.21 1dtk s LEU 31 Cb -0.22 0.29 0.01 0.00 0.03 0.00 0.00 46.19 46.30 1dtk s LEU 31 CO 0.27 -0.23 1.08 -2.16 0.23 0.00 0.00 176.35 175.54 1dtk s PRO 32 N -0.94 2.80 0.19 1.29 0.04 -1.26 -1.15 135.00 135.96 1dtk s PRO 32 Ca -0.10 1.15 -0.19 0.00 0.04 0.00 0.00 61.00 61.89 1dtk s PRO 32 Cb -0.06 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.58 1dtk s PRO 32 CO 0.00 -1.22 0.94 1.97 0.04 0.00 0.00 177.00 178.73 1dtk n PHE 33 N -2.88 -1.40 -3.82 0.56 -1.74 0.46 -4.85 117.46 103.79 1dtk n PHE 33 Ca 0.09 -1.24 -0.36 0.00 -0.56 0.00 0.00 57.45 55.37 1dtk n PHE 33 Cb 0.53 0.61 -0.13 0.00 1.52 0.00 0.00 39.48 42.01 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 -3.24 5.01 0.62 5.98 1.01 -1.26 -0.69 116.67 124.10 1dtk s ASP 34 Ca 0.21 -1.00 -0.14 0.00 0.71 0.00 0.00 52.55 52.33 1dtk s ASP 34 Cb -0.03 -1.81 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 1dtk s ASP 34 CO 0.06 -0.24 1.05 -0.47 0.21 0.00 0.00 175.17 175.77 1dtk s TYR 35 N 1.39 3.13 0.00 4.23 5.04 0.11 -4.74 117.35 126.51 1dtk s TYR 35 Ca -0.01 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 1dtk s TYR 35 Cb -0.18 -2.92 0.00 0.00 0.35 0.00 0.00 41.96 39.21 1dtk s TYR 35 CO 0.01 -1.03 0.19 -1.13 -1.34 0.00 0.00 175.55 172.24 1dtk n SER 36 N -2.41 0.00 0.00 4.32 3.41 -0.09 -0.36 113.62 118.50 1dtk n SER 36 Ca 0.08 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1dtk n SER 36 Cb 0.53 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 1.49 0.96 3.75 5.00 0.00 -1.26 -4.20 105.19 110.92 1dtk n GLY 37 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.18 -0.18 0.00 0.00 0.00 -1.26 -4.27 105.19 98.29 1dtk n GLY 39 Ca -0.03 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.20 1.44 0.90 -0.02 0.00 -1.26 -4.07 105.19 99.99 1dtk n GLY 40 Ca -0.23 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.45 0.17 1.61 0.23 -1.26 -5.01 115.26 110.55 1dtk n ASN 41 Ca 0.00 -1.45 0.13 0.00 -0.53 0.00 0.00 54.58 52.73 1dtk n ASN 41 Cb 0.00 0.78 0.36 0.00 -2.08 0.00 0.00 39.78 38.85 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 1.76 1.00 -0.06 -2.53 0.00 -2.01 -3.38 119.26 114.03 1dtk h ALA 42 Ca -0.08 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.15 1dtk h ALA 42 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1dtk h ALA 42 CO 0.10 0.00 3.53 -1.71 0.00 0.00 0.00 179.25 181.18 1dtk n ASN 43 N -2.69 7.32 -3.66 0.00 2.85 -1.26 -4.77 115.26 113.04 1dtk n ASN 43 Ca 0.04 -2.69 -0.06 0.00 -0.11 0.00 0.00 54.58 51.75 1dtk n ASN 43 Cb 0.43 -1.57 -0.08 0.00 1.24 0.00 0.00 39.78 39.80 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 2.20 0.49 0.04 1.20 3.52 -1.26 -4.41 118.95 120.72 1dtk s ARG 44 Ca 0.62 1.16 0.04 0.00 -0.13 0.00 0.00 55.73 57.42 1dtk s ARG 44 Cb 0.17 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.93 1dtk s ARG 44 CO -0.07 -0.20 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.04 1dtk s PHE 45 N 2.30 1.10 -0.35 5.12 0.08 0.48 -4.99 117.98 121.71 1dtk s PHE 45 Ca -0.06 -0.36 0.24 0.00 0.12 0.00 0.00 56.93 56.88 1dtk s PHE 45 Cb -0.10 -0.65 0.47 0.00 -0.57 0.00 0.00 43.02 42.17 1dtk s PHE 45 CO -0.16 0.02 1.66 0.87 -0.10 0.00 0.00 175.22 177.50 1dtk h LYS 46 N 4.93 0.00 -4.95 0.44 1.57 -1.93 0.12 116.57 116.75 1dtk h LYS 46 Ca -0.37 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.08 1dtk h LYS 46 Cb 1.18 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.29 1dtk h LYS 46 CO 0.44 0.02 -0.75 0.95 -0.57 0.00 0.00 179.45 179.54 1dtk s THR 47 N -3.27 0.85 0.31 -0.16 -4.23 -1.26 -4.66 115.64 103.23 1dtk s THR 47 Ca 0.06 -1.33 -0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1dtk s THR 47 Cb 0.06 -1.00 0.23 0.00 1.34 0.00 0.00 72.50 73.13 1dtk s THR 47 CO 0.66 -0.39 1.95 -0.29 -0.54 0.00 0.00 174.62 176.00 1dtk h ILE 48 N 4.13 1.20 -0.22 2.99 -0.00 -1.95 -2.17 117.51 121.50 1dtk h ILE 48 Ca -0.38 -0.47 -0.16 0.00 -0.00 0.00 0.00 64.86 63.85 1dtk h ILE 48 Cb 1.19 0.25 -0.01 0.00 -0.00 0.00 0.00 36.82 38.25 1dtk h ILE 48 CO 0.44 0.22 -0.53 -0.33 -0.00 0.00 0.00 178.15 177.95 1dtk h GLU 49 N 0.95 0.63 -0.02 2.19 4.39 -1.98 0.29 114.58 121.04 1dtk h GLU 49 Ca 0.25 -0.39 0.02 0.00 0.34 0.00 0.00 59.36 59.58 1dtk h GLU 49 Cb -0.01 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1dtk h GLU 49 CO -0.04 1.00 -0.09 1.49 -1.16 0.00 0.00 179.01 180.21 1dtk h GLU 50 N 0.49 -0.14 0.05 2.33 4.81 -1.93 0.94 114.58 121.13 1dtk h GLU 50 Ca 0.01 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1dtk h GLU 50 Cb 1.09 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1dtk h GLU 50 CO 0.10 -0.09 -0.20 0.00 -0.73 0.00 0.00 179.01 178.09 1dtk h ARG 52 N -0.34 -0.39 0.00 0.00 9.65 -0.21 -0.21 114.38 122.87 1dtk h ARG 52 Ca 0.04 0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.90 1dtk h ARG 52 Cb 0.39 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 1dtk h ARG 52 CO -0.15 -0.26 -0.22 -0.09 2.80 0.00 0.00 179.97 182.06 1dtk h ARG 53 N -0.40 0.00 -0.04 0.20 2.43 -0.62 0.30 114.38 116.24 1dtk h ARG 53 Ca 0.11 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1dtk h ARG 53 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1dtk h ARG 53 CO -0.48 0.22 -0.17 1.15 -1.51 0.00 0.00 179.97 179.18 1dtk h THR 54 N 0.00 1.46 0.00 0.20 2.02 -0.47 -3.42 112.91 112.69 1dtk h THR 54 Ca -0.00 -1.61 -0.26 0.00 0.77 0.00 0.00 66.41 65.30 1dtk h THR 54 Cb 0.80 2.39 -0.05 0.00 -1.74 0.00 0.00 68.15 69.55 1dtk h THR 54 CO 0.03 0.45 -2.00 0.00 0.37 0.00 0.00 175.52 174.36 1dtk n VAL 56 N -2.98 0.00 1.16 0.00 0.31 0.10 -4.19 118.33 112.73 1dtk n VAL 56 Ca -0.31 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.15 1dtk n VAL 56 Cb 0.84 -1.50 0.24 0.00 -0.91 0.00 0.00 33.84 32.51 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12