#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 1.48 0.03 0.00 0.00 -1.26 -4.98 121.76 117.04 1dtk s ALA 2 Ca 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 51.96 51.61 1dtk s ALA 2 Cb 0.00 -3.19 -0.17 0.00 0.00 0.00 0.00 23.12 19.76 1dtk s ALA 2 CO 0.00 -2.41 1.44 0.87 0.00 0.00 0.00 175.76 175.66 1dtk h LYS 3 N -1.59 -0.23 -0.01 0.00 6.56 -2.02 -3.02 116.57 116.27 1dtk h LYS 3 Ca -0.50 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1dtk h LYS 3 Cb 1.29 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 33.00 1dtk h LYS 3 CO 0.55 0.03 0.04 0.10 -2.06 0.00 0.00 179.45 178.10 1dtk h TYR 4 N -0.48 0.00 -1.13 -1.35 -0.00 -1.96 -1.35 116.97 110.70 1dtk h TYR 4 Ca -0.02 0.00 0.32 0.00 0.00 0.00 0.00 58.73 59.02 1dtk h TYR 4 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 37.02 1dtk h TYR 4 CO 0.00 0.00 0.77 0.00 -0.00 0.00 0.00 178.16 178.94 1dtk h LYS 6 N 0.17 0.00 -6.88 0.00 3.64 -1.42 -3.38 116.57 108.70 1dtk h LYS 6 Ca 0.59 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.45 1dtk h LYS 6 Cb 1.96 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 33.85 1dtk h LYS 6 CO -0.16 0.00 0.66 -0.51 -2.27 0.00 0.00 179.45 177.17 1dtk s LEU 7 N -6.05 4.41 0.00 5.20 1.43 0.17 -4.58 118.68 119.27 1dtk s LEU 7 Ca 0.03 2.72 -0.14 0.00 -1.03 0.00 0.00 54.13 55.71 1dtk s LEU 7 Cb 0.08 -3.65 0.20 0.00 0.03 0.00 0.00 46.19 42.85 1dtk s LEU 7 CO 0.57 -0.58 1.01 -0.81 0.23 0.00 0.00 176.35 176.77 1dtk n PRO 8 N 0.86 -1.50 -1.71 1.29 -0.04 -1.26 -4.39 135.00 128.24 1dtk n PRO 8 Ca 0.00 -1.57 -0.43 0.00 -0.04 0.00 0.00 63.50 61.46 1dtk n PRO 8 Cb 0.41 -1.15 -0.01 0.00 -0.04 0.00 0.00 33.50 32.71 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 3.81 -2.88 1.53 7.94 -1.26 -4.95 117.00 121.19 1dtk n LEU 9 Ca 0.13 1.18 -0.10 0.00 -1.11 0.00 0.00 56.01 56.11 1dtk n LEU 9 Cb 0.46 -1.52 -0.00 0.00 0.53 0.00 0.00 43.42 42.89 1dtk n LEU 9 CO 0.33 -0.24 0.04 -1.14 -1.11 0.00 0.00 177.39 175.28 1dtk n ARG 10 N 1.30 0.56 -0.10 1.96 3.00 -1.26 -5.00 116.66 117.12 1dtk n ARG 10 Ca 0.07 -2.22 0.00 0.00 -0.00 0.00 0.00 57.85 55.70 1dtk n ARG 10 Cb 0.35 -1.48 0.28 0.00 0.00 0.00 0.00 32.46 31.62 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 4.23 1.18 0.00 5.15 2.04 -1.91 -3.42 117.51 124.78 1dtk h ILE 11 Ca 0.04 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1dtk h ILE 11 Cb 1.04 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1dtk h ILE 11 CO 0.18 0.21 0.00 0.61 0.00 0.00 0.00 178.15 179.15 1dtk n GLY 12 N -1.18 -1.02 0.17 5.37 0.00 -1.26 -0.71 105.19 106.56 1dtk n GLY 12 Ca 0.05 -1.46 0.01 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.28 1.15 -1.67 1.61 -0.04 -1.22 -4.59 135.00 129.96 1dtk n PRO 13 Ca 0.00 -0.20 -0.30 0.00 -0.04 0.00 0.00 63.50 62.96 1dtk n PRO 13 Cb 0.00 -1.11 0.08 0.00 -0.04 0.00 0.00 33.50 32.43 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 -3.35 3.05 -4.34 0.00 2.85 -1.26 -4.78 118.16 110.32 1dtk n LYS 15 Ca 0.07 -3.82 -0.29 0.00 -1.05 0.00 0.00 58.31 53.22 1dtk n LYS 15 Cb 0.57 -2.27 -0.06 0.00 -0.65 0.00 0.00 35.03 32.63 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 -3.81 2.21 -0.42 -1.58 0.52 -1.26 -5.11 118.95 109.50 1dtk s ARG 16 Ca 0.54 -2.14 0.06 0.00 -0.52 0.00 0.00 55.73 53.66 1dtk s ARG 16 Cb 0.44 -1.82 0.17 0.00 0.52 0.00 0.00 34.95 34.27 1dtk s ARG 16 CO -0.19 -0.37 0.54 0.21 0.02 0.00 0.00 175.30 175.51 1dtk s LYS 17 N -4.00 0.82 -0.33 3.54 2.20 -1.23 -4.26 119.74 116.49 1dtk s LYS 17 Ca 0.24 -0.79 -0.01 0.00 -0.36 0.00 0.00 55.97 55.05 1dtk s LYS 17 Cb 0.01 -0.34 0.07 0.00 -1.51 0.00 0.00 37.83 36.07 1dtk s LYS 17 CO 0.14 -1.24 0.04 0.42 -0.36 0.00 0.00 175.35 174.35 1dtk s ILE 18 N 1.35 2.91 -0.01 5.43 1.01 0.46 -4.92 121.20 127.42 1dtk s ILE 18 Ca 0.21 -1.66 -0.30 0.00 0.00 0.00 0.00 60.65 58.90 1dtk s ILE 18 Cb -0.06 -2.80 -0.07 0.00 0.01 0.00 0.00 42.46 39.53 1dtk s ILE 18 CO -0.06 -0.29 1.83 -2.16 0.00 0.00 0.00 174.94 174.26 1dtk s PRO 19 N 1.18 4.13 0.31 2.79 0.04 -1.26 -0.58 135.00 141.61 1dtk s PRO 19 Ca -0.01 2.39 0.05 0.00 0.04 0.00 0.00 61.00 63.48 1dtk s PRO 19 Cb -0.20 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.23 1dtk s PRO 19 CO -0.03 -0.94 0.20 0.43 0.04 0.00 0.00 177.00 176.70 1dtk n SER 20 N 7.46 0.08 -4.25 6.66 7.64 0.33 -4.91 113.62 126.62 1dtk n SER 20 Ca 0.19 -2.86 -0.24 0.00 1.01 0.00 0.00 58.87 56.97 1dtk n SER 20 Cb 0.42 1.22 -0.13 0.00 -1.01 0.00 0.00 64.21 64.70 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 -3.04 1.72 0.16 1.43 0.40 0.89 -0.62 117.98 118.92 1dtk s PHE 21 Ca 0.28 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 56.18 1dtk s PHE 21 Cb 0.01 -0.98 -0.03 0.00 0.51 0.00 0.00 43.02 42.53 1dtk s PHE 21 CO 0.20 0.14 0.14 1.52 0.70 0.00 0.00 175.22 177.91 1dtk s TYR 22 N -0.99 0.80 -0.44 0.36 1.13 -0.22 -0.43 117.35 117.56 1dtk s TYR 22 Ca 0.06 -1.14 -0.13 0.00 -1.41 0.00 0.00 57.07 54.45 1dtk s TYR 22 Cb -0.09 -0.37 0.06 0.00 -1.10 0.00 0.00 41.96 40.46 1dtk s TYR 22 CO 0.03 -0.61 0.34 -0.47 -2.51 0.00 0.00 175.55 172.33 1dtk s TYR 23 N -4.05 3.27 -0.74 -3.49 6.14 -1.26 -0.44 117.35 116.77 1dtk s TYR 23 Ca 0.25 -1.04 -0.26 0.00 0.64 0.00 0.00 57.07 56.66 1dtk s TYR 23 Cb 0.06 -2.99 0.02 0.00 0.42 0.00 0.00 41.96 39.47 1dtk s TYR 23 CO 0.04 -0.78 1.46 0.21 0.64 0.00 0.00 175.55 177.12 1dtk s LYS 24 N 1.58 3.07 0.56 4.97 2.20 0.34 -4.76 119.74 127.70 1dtk s LYS 24 Ca 0.04 -0.12 0.24 0.00 -0.36 0.00 0.00 55.97 55.76 1dtk s LYS 24 Cb -0.23 -4.37 1.54 0.00 -1.51 0.00 0.00 37.83 33.26 1dtk s LYS 24 CO 0.06 -2.34 2.17 2.35 -0.36 0.00 0.00 175.35 177.23 1dtk h TRP 25 N 11.24 0.00 -0.13 4.03 2.91 -1.77 0.43 115.95 132.66 1dtk h TRP 25 Ca -0.22 0.00 0.04 0.00 1.13 0.00 0.00 58.89 59.84 1dtk h TRP 25 Cb 1.07 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.72 1dtk h TRP 25 CO 1.13 0.00 0.10 -0.22 -1.03 0.00 0.00 178.44 178.41 1dtk h LYS 26 N 0.00 0.00 0.00 2.65 1.63 -1.88 -2.13 116.57 116.83 1dtk h LYS 26 Ca 0.03 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.58 1dtk h LYS 26 Cb 0.16 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.74 1dtk h LYS 26 CO -0.00 0.00 -2.15 0.00 -3.45 0.00 0.00 179.45 173.85 1dtk n ALA 27 N -2.55 1.86 -3.26 5.00 0.00 0.37 -5.03 120.51 116.89 1dtk n ALA 27 Ca 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 53.44 52.27 1dtk n ALA 27 Cb 0.22 -0.44 0.07 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.67 -2.88 -3.45 0.00 5.02 0.12 -5.07 118.16 109.25 1dtk n LYS 28 Ca -0.23 0.86 -0.13 0.00 -2.02 0.00 0.00 58.31 56.79 1dtk n LYS 28 Cb 0.98 -5.81 -0.03 0.00 -0.02 0.00 0.00 35.03 30.15 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 -4.52 1.20 0.12 1.97 0.74 -1.16 -5.00 119.66 113.01 1dtk s GLN 29 Ca 0.39 -0.29 -0.30 0.00 0.05 0.00 0.00 55.36 55.21 1dtk s GLN 29 Cb -0.05 0.56 -0.06 0.00 1.10 0.00 0.00 33.01 34.55 1dtk s GLN 29 CO 0.73 -0.50 1.00 0.00 -0.55 0.00 0.00 175.29 175.97 1dtk s LEU 31 N -0.02 2.08 0.73 0.00 1.43 0.41 -4.94 118.68 118.38 1dtk s LEU 31 Ca 0.48 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 1dtk s LEU 31 Cb -0.25 0.24 0.03 0.00 0.03 0.00 0.00 46.19 46.25 1dtk s LEU 31 CO 0.31 -0.33 1.07 -2.16 0.23 0.00 0.00 176.35 175.47 1dtk s PRO 32 N -1.52 2.65 0.07 1.29 0.04 -1.26 -1.05 135.00 135.22 1dtk s PRO 32 Ca -0.15 0.80 -0.27 0.00 0.04 0.00 0.00 61.00 61.42 1dtk s PRO 32 Cb -0.09 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.57 1dtk s PRO 32 CO -0.01 -1.26 1.16 -0.59 0.04 0.00 0.00 177.00 176.34 1dtk s PHE 33 N -3.11 -0.01 -0.25 0.56 -0.71 0.21 -4.85 117.98 109.82 1dtk s PHE 33 Ca 0.59 -0.21 -0.16 0.00 -1.04 0.00 0.00 56.93 56.10 1dtk s PHE 33 Cb -0.14 0.61 -0.03 0.00 -1.21 0.00 0.00 43.02 42.25 1dtk s PHE 33 CO 0.54 -0.55 0.43 -0.51 -1.34 0.00 0.00 175.22 173.79 1dtk s ASP 34 N -3.28 6.37 0.48 1.98 1.01 -1.26 -0.52 116.67 121.45 1dtk s ASP 34 Ca 0.19 0.43 -0.16 0.00 0.71 0.00 0.00 52.55 53.73 1dtk s ASP 34 Cb 0.00 -2.24 -0.08 0.00 1.01 0.00 0.00 42.92 41.61 1dtk s ASP 34 CO 0.01 -0.19 0.94 -0.47 0.21 0.00 0.00 175.17 175.66 1dtk s TYR 35 N 1.94 3.44 0.00 4.23 5.04 0.25 -4.76 117.35 127.49 1dtk s TYR 35 Ca 0.18 1.40 0.00 0.00 -2.44 0.00 0.00 57.07 56.21 1dtk s TYR 35 Cb -0.15 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.43 1dtk s TYR 35 CO 0.09 -0.28 0.07 -1.13 -1.34 0.00 0.00 175.55 172.95 1dtk n SER 36 N -1.41 0.00 0.00 4.32 3.41 0.12 -0.41 113.62 119.65 1dtk n SER 36 Ca 0.06 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1dtk n SER 36 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 2.09 0.71 3.66 5.00 0.00 -1.26 -3.95 105.19 111.45 1dtk n GLY 37 Ca 0.00 -0.05 -0.28 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 0.21 0.18 0.00 0.00 0.00 -1.26 -3.41 105.19 100.91 1dtk n GLY 39 Ca -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.97 -1.75 2.76 -0.02 0.00 -1.26 -4.38 105.19 99.56 1dtk n GLY 40 Ca -0.20 -0.69 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.47 0.06 1.61 0.23 -1.26 -4.96 115.26 109.46 1dtk n ASN 41 Ca 0.00 -1.92 0.11 0.00 -0.53 0.00 0.00 54.58 52.24 1dtk n ASN 41 Cb 0.00 2.43 0.45 0.00 -2.08 0.00 0.00 39.78 40.58 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 -1.31 1.94 -1.49 -2.53 0.00 -1.26 -4.35 120.51 111.51 1dtk n ALA 42 Ca -0.11 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1dtk n ALA 42 Cb 0.43 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.87 3.23 -3.70 0.00 2.85 -1.26 -4.84 115.26 109.67 1dtk n ASN 43 Ca 0.04 -2.76 -0.11 0.00 -0.11 0.00 0.00 54.58 51.65 1dtk n ASN 43 Cb 0.28 -1.40 -0.10 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 4.21 0.45 0.00 1.20 3.52 -1.26 -4.52 118.95 122.55 1dtk s ARG 44 Ca 0.53 0.79 -0.01 0.00 -0.13 0.00 0.00 55.73 56.91 1dtk s ARG 44 Cb 0.13 0.05 -0.01 0.00 -1.56 0.00 0.00 34.95 33.56 1dtk s ARG 44 CO 0.02 -0.14 0.01 -0.06 -0.81 0.00 0.00 175.30 174.32 1dtk s PHE 45 N 1.18 0.09 -0.05 5.12 0.08 0.43 -4.99 117.98 119.84 1dtk s PHE 45 Ca -0.08 -0.18 0.29 0.00 0.12 0.00 0.00 56.93 57.08 1dtk s PHE 45 Cb -0.07 -0.07 0.98 0.00 -0.57 0.00 0.00 43.02 43.29 1dtk s PHE 45 CO -0.11 -0.09 1.84 0.87 -0.10 0.00 0.00 175.22 177.63 1dtk h LYS 46 N 5.46 0.00 -4.89 0.44 1.79 -1.93 0.25 116.57 117.70 1dtk h LYS 46 Ca -0.27 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 57.87 1dtk h LYS 46 Cb 1.21 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.65 1dtk h LYS 46 CO 0.46 0.05 -0.75 0.95 -1.08 0.00 0.00 179.45 179.08 1dtk s THR 47 N -3.52 0.78 0.31 -0.16 -4.23 -1.26 -4.66 115.64 102.90 1dtk s THR 47 Ca 0.03 -1.19 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 1dtk s THR 47 Cb 0.08 -0.81 0.29 0.00 1.34 0.00 0.00 72.50 73.40 1dtk s THR 47 CO 0.60 -0.33 1.88 -0.29 -0.54 0.00 0.00 174.62 175.94 1dtk h ILE 48 N 4.39 0.97 -0.14 2.99 6.09 -1.95 -2.13 117.51 127.73 1dtk h ILE 48 Ca -0.38 -0.33 -0.17 0.00 -1.37 0.00 0.00 64.86 62.62 1dtk h ILE 48 Cb 1.20 -0.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.42 1dtk h ILE 48 CO 0.41 0.17 -0.62 -0.33 -3.07 0.00 0.00 178.15 174.71 1dtk h GLU 49 N 0.95 0.49 -0.18 2.19 5.08 -1.97 0.25 114.58 121.38 1dtk h GLU 49 Ca 0.44 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1dtk h GLU 49 Cb 0.40 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1dtk h GLU 49 CO -0.20 0.96 -0.04 1.49 -1.00 0.00 0.00 179.01 180.22 1dtk h GLU 50 N 0.36 0.35 -0.08 2.33 4.57 -1.93 0.25 114.58 120.44 1dtk h GLU 50 Ca -0.01 -0.13 0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1dtk h GLU 50 Cb 1.17 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.68 1dtk h GLU 50 CO 0.11 0.60 -0.30 0.00 -1.18 0.00 0.00 179.01 178.24 1dtk h ARG 52 N -0.40 0.83 0.00 0.00 2.43 -0.38 0.73 114.38 117.60 1dtk h ARG 52 Ca 0.08 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1dtk h ARG 52 Cb 0.53 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1dtk h ARG 52 CO -0.31 0.55 -0.26 -0.09 -1.51 0.00 0.00 179.97 178.35 1dtk h ARG 53 N 0.86 0.00 0.07 0.20 2.43 -0.04 0.34 114.38 118.23 1dtk h ARG 53 Ca 0.24 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.19 1dtk h ARG 53 Cb -0.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1dtk h ARG 53 CO -0.06 0.26 -1.16 1.15 -1.51 0.00 0.00 179.97 178.65 1dtk h THR 54 N 0.00 1.12 0.13 0.20 2.02 -0.18 -3.41 112.91 112.79 1dtk h THR 54 Ca -0.00 -2.34 -0.25 0.00 0.77 0.00 0.00 66.41 64.59 1dtk h THR 54 Cb 0.58 2.71 0.01 0.00 -1.74 0.00 0.00 68.15 69.71 1dtk h THR 54 CO 0.03 0.60 -1.21 0.00 0.37 0.00 0.00 175.52 175.31 1dtk s VAL 56 N -2.47 2.27 0.00 0.00 1.01 0.12 -3.69 120.40 117.64 1dtk s VAL 56 Ca -0.17 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1dtk s VAL 56 Cb 0.03 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1dtk s VAL 56 CO 0.80 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.51