#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 -0.21 0.19 0.00 0.00 -1.26 -4.95 121.76 115.53 1dtk s ALA 2 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 1dtk s ALA 2 Cb 0.00 0.26 0.20 0.00 0.00 0.00 0.00 23.12 23.58 1dtk s ALA 2 CO 0.00 -0.33 1.74 0.87 0.00 0.00 0.00 175.76 178.04 1dtk h LYS 3 N 3.60 0.34 0.00 0.00 1.57 -2.02 0.12 116.57 120.19 1dtk h LYS 3 Ca -0.32 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1dtk h LYS 3 Cb 1.19 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1dtk h LYS 3 CO 0.49 0.23 -0.01 0.10 -0.57 0.00 0.00 179.45 179.69 1dtk h TYR 4 N 0.35 0.00 -0.08 -1.35 -0.00 -1.97 -1.46 116.97 112.46 1dtk h TYR 4 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 58.73 59.01 1dtk h TYR 4 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.02 1dtk h TYR 4 CO -0.17 0.01 0.09 0.00 -0.00 0.00 0.00 178.16 178.09 1dtk n LYS 6 N -3.83 0.21 -2.55 0.00 5.02 -0.55 -4.13 118.16 112.33 1dtk n LYS 6 Ca -0.01 0.33 -0.39 0.00 -2.02 0.00 0.00 58.31 56.22 1dtk n LYS 6 Cb 0.19 -1.83 -0.05 0.00 -0.02 0.00 0.00 35.03 33.33 1dtk n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dtk s LEU 7 N -4.41 4.48 0.00 -0.35 1.43 0.29 -4.67 118.68 115.45 1dtk s LEU 7 Ca 0.07 2.15 -0.02 0.00 -1.03 0.00 0.00 54.13 55.30 1dtk s LEU 7 Cb 0.11 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.60 1dtk s LEU 7 CO 0.46 -0.16 0.15 -0.81 0.23 0.00 0.00 176.35 176.23 1dtk n PRO 8 N 0.96 -0.21 -1.57 1.29 -0.04 -1.26 -4.58 135.00 129.61 1dtk n PRO 8 Ca 0.00 -0.23 -0.24 0.00 -0.04 0.00 0.00 63.50 62.99 1dtk n PRO 8 Cb 0.46 -0.16 -0.05 0.00 -0.04 0.00 0.00 33.50 33.71 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 3.12 -1.04 1.53 2.96 -1.26 -4.89 118.68 119.10 1dtk s LEU 9 Ca 0.09 0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 54.43 1dtk s LEU 9 Cb -0.00 -2.53 0.26 0.00 0.50 0.00 0.00 46.19 44.42 1dtk s LEU 9 CO 0.06 -3.42 1.02 -0.60 -1.32 0.00 0.00 176.35 172.09 1dtk s ARG 10 N 8.61 4.03 0.06 1.98 3.00 -1.26 -4.83 118.95 130.54 1dtk s ARG 10 Ca 0.95 -3.05 -0.21 0.00 -1.00 0.00 0.00 55.73 52.42 1dtk s ARG 10 Cb -0.15 -4.50 -0.12 0.00 0.00 0.00 0.00 34.95 30.18 1dtk s ARG 10 CO 0.16 -1.25 1.51 0.82 0.00 0.00 0.00 175.30 176.54 1dtk h ILE 11 N 3.94 1.24 0.00 4.11 2.04 -1.90 -3.43 117.51 123.51 1dtk h ILE 11 Ca 0.16 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1dtk h ILE 11 Cb 0.91 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1dtk h ILE 11 CO 0.95 0.24 0.00 0.61 0.00 0.00 0.00 178.15 179.94 1dtk n GLY 12 N -0.34 2.01 0.00 5.37 0.00 -1.26 -0.93 105.19 110.03 1dtk n GLY 12 Ca -0.05 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.21 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 1.94 0.73 -2.09 1.61 -0.04 -1.26 -4.78 135.00 131.11 1dtk n PRO 13 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 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 -2.74 2.13 -2.51 0.00 2.85 -1.26 -4.67 118.16 111.95 1dtk n LYS 15 Ca 0.05 -3.18 -0.23 0.00 -1.05 0.00 0.00 58.31 53.90 1dtk n LYS 15 Cb 0.56 -2.01 0.07 0.00 -0.65 0.00 0.00 35.03 33.00 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 -3.33 2.17 -0.26 -1.58 1.81 -1.26 -5.10 118.95 111.39 1dtk s ARG 16 Ca 0.51 -0.76 -0.01 0.00 -1.72 0.00 0.00 55.73 53.75 1dtk s ARG 16 Cb 0.44 -2.36 0.13 0.00 -0.45 0.00 0.00 34.95 32.72 1dtk s ARG 16 CO 0.04 -1.08 0.31 0.15 -0.68 0.00 0.00 175.30 174.04 1dtk s LYS 17 N -5.00 0.31 -0.22 3.54 3.01 -1.22 -4.39 119.74 115.76 1dtk s LYS 17 Ca 0.61 0.09 -0.01 0.00 -1.01 0.00 0.00 55.97 55.65 1dtk s LYS 17 Cb -0.09 -0.69 0.06 0.00 -1.01 0.00 0.00 37.83 36.10 1dtk s LYS 17 CO 0.42 -0.88 -0.01 0.42 0.51 0.00 0.00 175.35 175.81 1dtk s ILE 18 N 2.41 1.11 0.07 2.17 1.01 0.75 -4.92 121.20 123.80 1dtk s ILE 18 Ca 0.10 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 1dtk s ILE 18 Cb -0.14 -1.50 -0.09 0.00 0.01 0.00 0.00 42.46 40.73 1dtk s ILE 18 CO -0.25 -0.18 1.88 -2.16 0.00 0.00 0.00 174.94 174.23 1dtk s PRO 19 N 1.58 4.14 0.34 2.79 0.04 -1.26 -0.34 135.00 142.30 1dtk s PRO 19 Ca -0.03 2.58 0.05 0.00 0.04 0.00 0.00 61.00 63.63 1dtk s PRO 19 Cb -0.18 -3.89 -0.02 0.00 0.04 0.00 0.00 34.50 30.45 1dtk s PRO 19 CO -0.08 -0.89 0.36 0.43 0.04 0.00 0.00 177.00 176.85 1dtk n SER 20 N 6.65 -0.94 -4.15 6.66 7.64 0.36 -4.89 113.62 124.95 1dtk n SER 20 Ca 0.19 -3.13 -0.20 0.00 1.01 0.00 0.00 58.87 56.74 1dtk n SER 20 Cb 0.40 2.00 -0.13 0.00 -1.01 0.00 0.00 64.21 65.46 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 1.27 0.18 1.43 0.40 0.50 -0.67 117.98 117.89 1dtk s PHE 21 Ca 0.37 -0.36 -0.07 0.00 -0.60 0.00 0.00 56.93 56.27 1dtk s PHE 21 Cb 0.01 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.77 1dtk s PHE 21 CO 0.26 0.04 0.26 1.52 0.70 0.00 0.00 175.22 178.00 1dtk s TYR 22 N -0.87 0.62 -0.33 0.36 1.13 -0.55 0.05 117.35 117.76 1dtk s TYR 22 Ca 0.02 -0.95 -0.14 0.00 -1.41 0.00 0.00 57.07 54.59 1dtk s TYR 22 Cb -0.08 -0.18 -0.02 0.00 -1.10 0.00 0.00 41.96 40.58 1dtk s TYR 22 CO 0.01 -0.73 0.29 -0.47 -2.51 0.00 0.00 175.55 172.14 1dtk s TYR 23 N -4.03 3.22 -0.32 -3.49 6.14 -1.26 -0.57 117.35 117.04 1dtk s TYR 23 Ca 0.24 -0.04 -0.25 0.00 0.64 0.00 0.00 57.07 57.67 1dtk s TYR 23 Cb 0.04 -2.54 0.01 0.00 0.42 0.00 0.00 41.96 39.88 1dtk s TYR 23 CO 0.05 -0.34 0.85 0.21 0.64 0.00 0.00 175.55 176.95 1dtk s LYS 24 N 1.87 3.95 0.16 4.97 2.47 0.07 -4.73 119.74 128.51 1dtk s LYS 24 Ca 0.09 0.65 0.01 0.00 -1.56 0.00 0.00 55.97 55.16 1dtk s LYS 24 Cb -0.17 -3.74 -0.01 0.00 -1.46 0.00 0.00 37.83 32.45 1dtk s LYS 24 CO 0.11 -0.76 1.37 2.35 0.16 0.00 0.00 175.35 178.58 1dtk h TRP 25 N 8.17 0.34 -0.10 4.03 2.91 -1.81 0.54 115.95 130.04 1dtk h TRP 25 Ca -0.24 -0.19 0.03 0.00 1.13 0.00 0.00 58.89 59.63 1dtk h TRP 25 Cb 1.09 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 29.70 1dtk h TRP 25 CO 0.79 1.00 0.08 -0.22 -1.03 0.00 0.00 178.44 179.05 1dtk h LYS 26 N 0.13 0.00 0.00 2.65 3.64 -1.91 -2.37 116.57 118.71 1dtk h LYS 26 Ca -0.05 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.13 1dtk h LYS 26 Cb 1.51 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.29 1dtk h LYS 26 CO 0.14 0.00 -2.19 0.00 -2.27 0.00 0.00 179.45 175.13 1dtk n ALA 27 N -2.54 2.09 -3.32 5.00 0.00 -1.12 -5.04 120.51 115.58 1dtk n ALA 27 Ca -0.01 -0.96 -0.16 0.00 0.00 0.00 0.00 53.44 52.31 1dtk n ALA 27 Cb 0.19 -0.45 0.07 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.54 -3.16 -3.46 0.00 5.02 0.18 -5.06 118.16 109.15 1dtk n LYS 28 Ca -0.20 0.84 -0.11 0.00 -2.02 0.00 0.00 58.31 56.83 1dtk n LYS 28 Cb 0.89 -5.74 -0.02 0.00 -0.02 0.00 0.00 35.03 30.14 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 -4.71 1.06 0.10 1.97 0.74 -0.81 -5.01 119.66 112.99 1dtk s GLN 29 Ca 0.36 -0.36 -0.30 0.00 0.05 0.00 0.00 55.36 55.10 1dtk s GLN 29 Cb -0.05 0.49 -0.06 0.00 1.10 0.00 0.00 33.01 34.49 1dtk s GLN 29 CO 0.75 -0.46 1.02 0.00 -0.55 0.00 0.00 175.29 176.05 1dtk s LEU 31 N 0.23 2.15 0.71 0.00 1.43 0.26 -4.94 118.68 118.52 1dtk s LEU 31 Ca 0.50 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 1dtk s LEU 31 Cb -0.25 0.04 0.02 0.00 0.03 0.00 0.00 46.19 46.03 1dtk s LEU 31 CO 0.30 -0.18 1.07 -2.16 0.23 0.00 0.00 176.35 175.61 1dtk s PRO 32 N -0.93 2.76 0.21 1.29 0.04 -1.26 -1.47 135.00 135.64 1dtk s PRO 32 Ca -0.10 1.03 -0.21 0.00 0.04 0.00 0.00 61.00 61.76 1dtk s PRO 32 Cb -0.06 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 32.58 1dtk s PRO 32 CO -0.01 -1.24 1.00 -0.59 0.04 0.00 0.00 177.00 176.21 1dtk s PHE 33 N -2.97 0.07 -0.30 0.56 -0.71 0.16 -4.88 117.98 109.90 1dtk s PHE 33 Ca 0.59 -0.50 -0.07 0.00 -1.04 0.00 0.00 56.93 55.92 1dtk s PHE 33 Cb -0.15 0.72 0.01 0.00 -1.21 0.00 0.00 43.02 42.39 1dtk s PHE 33 CO 0.54 -1.00 0.09 -0.51 -1.34 0.00 0.00 175.22 173.00 1dtk s ASP 34 N -3.34 5.17 0.66 1.98 1.01 -1.26 -0.49 116.67 120.40 1dtk s ASP 34 Ca 0.20 -0.79 -0.11 0.00 0.71 0.00 0.00 52.55 52.56 1dtk s ASP 34 Cb -0.03 -1.88 -0.02 0.00 1.01 0.00 0.00 42.92 42.01 1dtk s ASP 34 CO 0.06 -0.22 1.05 -0.47 0.21 0.00 0.00 175.17 175.80 1dtk s TYR 35 N 1.48 3.41 0.00 4.23 5.04 0.54 -4.66 117.35 127.39 1dtk s TYR 35 Ca 0.02 1.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.94 1dtk s TYR 35 Cb -0.18 -2.82 0.00 0.00 0.35 0.00 0.00 41.96 39.31 1dtk s TYR 35 CO 0.03 -0.95 0.00 -1.13 -1.34 0.00 0.00 175.55 172.16 1dtk n SER 36 N -2.92 0.00 0.00 4.32 3.41 -0.10 -0.18 113.62 118.15 1dtk n SER 36 Ca 0.07 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1dtk n SER 36 Cb 0.54 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 2.34 1.94 3.86 5.00 0.00 -1.26 -4.43 105.19 112.64 1dtk n GLY 37 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.70 0.98 3.48 0.00 0.00 -1.26 -4.27 105.19 103.42 1dtk n GLY 39 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 -1.70 0.00 -0.02 0.00 -1.26 -4.85 105.19 95.36 1dtk n GLY 40 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.62 0.33 -1.65 1.61 0.23 -1.26 -5.03 115.26 105.87 1dtk n ASN 41 Ca 0.05 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.19 1dtk n ASN 41 Cb 0.55 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.62 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 -3.00 3.28 -3.24 -2.53 0.00 -1.26 -4.60 120.51 109.16 1dtk n ALA 42 Ca 0.00 -1.70 -0.38 0.00 0.00 0.00 0.00 53.44 51.36 1dtk n ALA 42 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 0.96 5.29 -4.06 0.00 2.85 -1.26 -4.89 115.26 114.16 1dtk n ASN 43 Ca 0.26 -3.36 -0.16 0.00 -0.11 0.00 0.00 54.58 51.21 1dtk n ASN 43 Cb 0.97 -1.08 -0.13 0.00 1.24 0.00 0.00 39.78 40.79 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 -2.41 0.63 -0.02 1.20 6.06 -1.26 -4.64 118.95 118.52 1dtk s ARG 44 Ca 0.33 -0.57 -0.05 0.00 -2.50 0.00 0.00 55.73 52.94 1dtk s ARG 44 Cb 0.05 -0.55 0.00 0.00 0.06 0.00 0.00 34.95 34.52 1dtk s ARG 44 CO 0.03 0.13 0.11 -0.06 -2.50 0.00 0.00 175.30 173.01 1dtk s PHE 45 N -0.80 -0.02 0.12 5.12 0.08 0.11 -4.97 117.98 117.61 1dtk s PHE 45 Ca -0.02 0.05 0.16 0.00 0.12 0.00 0.00 56.93 57.24 1dtk s PHE 45 Cb -0.07 -0.02 0.42 0.00 -0.57 0.00 0.00 43.02 42.79 1dtk s PHE 45 CO 0.00 -0.16 1.61 -0.22 -0.10 0.00 0.00 175.22 176.35 1dtk h LYS 46 N 5.16 0.00 -5.29 0.44 3.64 -1.93 0.14 116.57 118.74 1dtk h LYS 46 Ca -0.28 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.72 1dtk h LYS 46 Cb 1.20 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.87 1dtk h LYS 46 CO 0.42 0.50 -0.72 0.95 -2.27 0.00 0.00 179.45 178.32 1dtk s THR 47 N -3.39 1.42 0.31 1.00 -4.23 -1.26 -4.61 115.64 104.88 1dtk s THR 47 Ca 0.01 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 58.41 1dtk s THR 47 Cb 0.10 -1.93 0.13 0.00 1.34 0.00 0.00 72.50 72.14 1dtk s THR 47 CO 0.72 -0.68 1.82 -0.29 -0.54 0.00 0.00 174.62 175.65 1dtk h ILE 48 N 2.68 1.22 -0.33 2.99 6.09 -1.95 -2.86 117.51 125.35 1dtk h ILE 48 Ca -0.37 -0.91 -0.15 0.00 -1.37 0.00 0.00 64.86 62.06 1dtk h ILE 48 Cb 1.20 0.97 -0.01 0.00 0.47 0.00 0.00 36.82 39.45 1dtk h ILE 48 CO 0.63 0.31 -0.38 1.05 -3.07 0.00 0.00 178.15 176.69 1dtk h GLU 49 N 0.57 0.79 -0.30 2.19 -0.00 -1.98 0.18 114.58 116.03 1dtk h GLU 49 Ca 0.12 -0.40 -0.11 0.00 -0.00 0.00 0.00 59.36 58.96 1dtk h GLU 49 Cb 0.40 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.15 1dtk h GLU 49 CO 0.02 1.03 -0.29 1.49 -0.00 0.00 0.00 179.01 181.26 1dtk h GLU 50 N 0.65 0.63 0.60 1.06 4.81 -1.96 0.19 114.58 120.55 1dtk h GLU 50 Ca 0.06 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1dtk h GLU 50 Cb 0.93 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.30 1dtk h GLU 50 CO 0.09 0.84 -0.29 0.00 -0.73 0.00 0.00 179.01 178.92 1dtk h ARG 52 N -1.04 0.20 0.00 0.00 2.43 -0.32 -1.14 114.38 114.51 1dtk h ARG 52 Ca -0.08 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1dtk h ARG 52 Cb 0.67 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1dtk h ARG 52 CO 0.14 0.13 -0.25 0.07 -1.51 0.00 0.00 179.97 178.54 1dtk h ARG 53 N 0.20 0.00 0.20 0.20 0.11 -0.72 0.37 114.38 114.75 1dtk h ARG 53 Ca 0.23 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.30 1dtk h ARG 53 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1dtk h ARG 53 CO -0.31 0.25 -0.10 1.15 0.10 0.00 0.00 179.97 181.06 1dtk h THR 54 N 0.00 0.77 0.09 0.08 2.02 -1.04 -3.41 112.91 111.42 1dtk h THR 54 Ca -0.00 -0.99 -0.29 0.00 0.77 0.00 0.00 66.41 65.90 1dtk h THR 54 Cb 0.51 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1dtk h THR 54 CO 0.03 0.19 -1.53 0.00 0.37 0.00 0.00 175.52 174.58 1dtk s VAL 56 N -2.47 2.08 0.00 0.00 1.01 0.13 -3.29 120.40 117.86 1dtk s VAL 56 Ca -0.23 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1dtk s VAL 56 Cb 0.05 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1dtk s VAL 56 CO 0.72 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.43