#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 3.49 0.19 0.00 0.00 -1.12 -4.94 121.76 119.38 1dtk s ALA 2 Ca 0.00 1.21 -0.20 0.00 0.00 0.00 0.00 51.96 52.98 1dtk s ALA 2 Cb 0.00 -3.46 0.14 0.00 0.00 0.00 0.00 23.12 19.80 1dtk s ALA 2 CO 0.00 -0.58 1.59 -0.22 0.00 0.00 0.00 175.76 176.54 1dtk h LYS 3 N 3.62 -0.14 0.00 0.00 3.11 -2.02 0.34 116.57 121.48 1dtk h LYS 3 Ca -0.48 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 1dtk h LYS 3 Cb 1.22 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 1dtk h LYS 3 CO 0.67 -0.09 0.00 2.48 -2.81 0.00 0.00 179.45 179.70 1dtk n TYR 4 N -5.44 0.69 -0.17 1.91 0.18 -1.26 -2.86 117.16 110.21 1dtk n TYR 4 Ca 0.05 0.28 0.26 0.00 1.88 0.00 0.00 57.90 60.37 1dtk n TYR 4 Cb 0.36 -0.95 0.69 0.00 -0.38 0.00 0.00 39.34 39.06 1dtk n TYR 4 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1dtk h LYS 6 N 0.05 0.00 -6.74 0.00 3.64 -1.69 -3.39 116.57 108.45 1dtk h LYS 6 Ca 0.41 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.28 1dtk h LYS 6 Cb 1.56 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.41 1dtk h LYS 6 CO -0.03 0.00 0.58 -0.51 -2.27 0.00 0.00 179.45 177.22 1dtk s LEU 7 N -5.25 4.46 0.00 5.20 1.43 0.12 -4.74 118.68 119.89 1dtk s LEU 7 Ca 0.00 2.37 -0.00 0.00 -1.03 0.00 0.00 54.13 55.47 1dtk s LEU 7 Cb 0.09 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1dtk s LEU 7 CO 0.39 -0.40 0.00 -0.81 0.23 0.00 0.00 176.35 175.76 1dtk n PRO 8 N 1.95 -0.18 -1.80 1.29 -0.04 -1.26 -4.65 135.00 130.32 1dtk n PRO 8 Ca 0.03 -0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.29 1dtk n PRO 8 Cb 0.44 -0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.81 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 2.78 -1.17 1.53 2.96 -1.26 -4.84 118.68 118.68 1dtk s LEU 9 Ca 0.00 -0.90 -0.09 0.00 -0.22 0.00 0.00 54.13 52.92 1dtk s LEU 9 Cb -0.00 -2.58 0.23 0.00 0.50 0.00 0.00 46.19 44.34 1dtk s LEU 9 CO 0.00 -3.80 1.44 -1.14 -1.32 0.00 0.00 176.35 171.53 1dtk n ARG 10 N 8.45 3.71 -0.18 1.98 3.00 -1.26 -4.72 116.66 127.64 1dtk n ARG 10 Ca 0.43 -4.12 0.07 0.00 -0.00 0.00 0.00 57.85 54.24 1dtk n ARG 10 Cb 0.46 -2.76 0.37 0.00 0.00 0.00 0.00 32.46 30.53 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 3.91 0.99 0.00 5.15 2.04 -1.88 -3.44 117.51 124.27 1dtk h ILE 11 Ca 0.27 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1dtk h ILE 11 Cb 0.77 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1dtk h ILE 11 CO 1.27 0.13 0.00 0.61 0.00 0.00 0.00 178.15 180.16 1dtk n GLY 12 N -1.45 -1.48 0.22 5.37 0.00 -1.26 -0.71 105.19 105.88 1dtk n GLY 12 Ca 0.11 -1.57 0.10 0.00 0.00 0.00 0.00 46.02 44.66 1dtk n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dtk h PRO 13 N 0.00 0.00 -7.42 1.61 0.13 -1.86 -3.45 132.00 121.01 1dtk h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1dtk h PRO 13 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 1dtk h PRO 13 CO 0.00 0.21 0.38 0.00 -0.23 0.00 0.00 178.00 178.36 1dtk n LYS 15 N -3.17 3.30 -1.42 0.00 3.00 -1.26 -4.69 118.16 113.91 1dtk n LYS 15 Ca 0.07 -2.78 -0.30 0.00 -0.00 0.00 0.00 58.31 55.30 1dtk n LYS 15 Cb 0.56 -1.76 0.21 0.00 0.00 0.00 0.00 35.03 34.04 1dtk n LYS 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1dtk s ARG 16 N -1.49 -0.27 -0.15 1.64 0.52 -1.26 -5.08 118.95 112.86 1dtk s ARG 16 Ca 0.51 -0.12 -0.04 0.00 -0.52 0.00 0.00 55.73 55.55 1dtk s ARG 16 Cb 0.30 -1.71 0.07 0.00 0.52 0.00 0.00 34.95 34.13 1dtk s ARG 16 CO 0.29 -3.07 0.22 0.15 0.02 0.00 0.00 175.30 172.91 1dtk s LYS 17 N -5.54 0.13 -0.26 3.54 -0.14 -1.25 -4.37 119.74 111.86 1dtk s LYS 17 Ca 0.71 0.48 -0.02 0.00 -1.36 0.00 0.00 55.97 55.78 1dtk s LYS 17 Cb -0.09 -0.58 0.08 0.00 -1.68 0.00 0.00 37.83 35.57 1dtk s LYS 17 CO 0.55 -0.44 0.06 0.42 -0.76 0.00 0.00 175.35 175.17 1dtk s ILE 18 N 2.35 0.78 0.07 2.17 1.01 0.12 -4.95 121.20 122.74 1dtk s ILE 18 Ca 0.04 -1.04 -0.31 0.00 0.00 0.00 0.00 60.65 59.35 1dtk s ILE 18 Cb -0.14 -1.42 -0.09 0.00 0.01 0.00 0.00 42.46 40.83 1dtk s ILE 18 CO -0.09 -0.44 1.72 -2.16 0.00 0.00 0.00 174.94 173.97 1dtk s PRO 19 N 1.70 4.18 0.36 2.79 0.04 -1.26 -0.77 135.00 142.03 1dtk s PRO 19 Ca 0.04 2.40 0.01 0.00 0.04 0.00 0.00 61.00 63.50 1dtk s PRO 19 Cb -0.17 -3.69 -0.00 0.00 0.04 0.00 0.00 34.50 30.67 1dtk s PRO 19 CO -0.17 -0.79 0.43 -1.12 0.04 0.00 0.00 177.00 175.39 1dtk s SER 20 N 2.76 1.30 0.05 6.66 0.01 0.27 -4.91 113.70 119.84 1dtk s SER 20 Ca 0.77 -1.63 0.08 0.00 1.31 0.00 0.00 55.95 56.48 1dtk s SER 20 Cb -0.41 0.66 -0.03 0.00 0.21 0.00 0.00 66.02 66.45 1dtk s SER 20 CO 0.34 -1.27 -0.23 -0.36 0.41 0.00 0.00 173.24 172.13 1dtk s PHE 21 N -3.02 2.04 0.21 2.43 0.40 0.89 -0.43 117.98 120.51 1dtk s PHE 21 Ca 0.34 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.27 1dtk s PHE 21 Cb 0.00 -1.21 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 1dtk s PHE 21 CO 0.24 0.13 0.16 1.52 0.70 0.00 0.00 175.22 177.97 1dtk s TYR 22 N -0.84 1.15 -0.37 0.36 1.13 -0.28 -0.14 117.35 118.36 1dtk s TYR 22 Ca 0.09 -1.36 -0.15 0.00 -1.41 0.00 0.00 57.07 54.24 1dtk s TYR 22 Cb -0.09 -0.53 0.00 0.00 -1.10 0.00 0.00 41.96 40.24 1dtk s TYR 22 CO 0.02 -0.68 0.33 -0.47 -2.51 0.00 0.00 175.55 172.24 1dtk s TYR 23 N -4.10 3.22 -1.12 -3.49 6.14 -1.26 -0.62 117.35 116.11 1dtk s TYR 23 Ca 0.38 -0.28 -0.21 0.00 0.64 0.00 0.00 57.07 57.60 1dtk s TYR 23 Cb 0.06 -2.64 0.05 0.00 0.42 0.00 0.00 41.96 39.86 1dtk s TYR 23 CO 0.13 -0.50 1.58 0.21 0.64 0.00 0.00 175.55 177.61 1dtk s LYS 24 N 1.87 3.68 0.41 4.97 2.20 0.18 -4.82 119.74 128.24 1dtk s LYS 24 Ca 0.09 -1.41 0.18 0.00 -0.36 0.00 0.00 55.97 54.47 1dtk s LYS 24 Cb -0.17 -5.41 1.09 0.00 -1.51 0.00 0.00 37.83 31.82 1dtk s LYS 24 CO 0.11 -2.29 1.84 2.35 -0.36 0.00 0.00 175.35 177.00 1dtk h TRP 25 N 9.05 0.56 -0.89 4.03 2.91 -1.82 0.33 115.95 130.12 1dtk h TRP 25 Ca 0.29 0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.49 1dtk h TRP 25 Cb 0.96 -0.17 -0.07 0.00 -0.51 0.00 0.00 29.16 29.37 1dtk h TRP 25 CO 1.33 0.13 0.58 -0.22 -1.03 0.00 0.00 178.44 179.23 1dtk h LYS 26 N 0.41 0.58 0.08 2.65 1.63 -1.90 -2.80 116.57 117.22 1dtk h LYS 26 Ca 0.50 -0.04 -0.37 0.00 -0.85 0.00 0.00 60.65 59.89 1dtk h LYS 26 Cb 1.25 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.71 1dtk h LYS 26 CO -0.20 0.39 -2.17 0.00 -3.45 0.00 0.00 179.45 174.01 1dtk n ALA 27 N -2.45 1.09 -0.87 5.00 0.00 0.80 -5.04 120.51 119.04 1dtk n ALA 27 Ca 0.18 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1dtk n ALA 27 Cb 0.54 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -3.42 0.00 -3.94 0.00 5.02 0.77 -5.09 118.16 111.50 1dtk n LYS 28 Ca -0.37 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 55.82 1dtk n LYS 28 Cb 1.02 -1.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.97 1dtk n LYS 28 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1dtk s GLN 29 N -1.88 1.30 0.08 1.97 -0.21 -1.23 -5.00 119.66 114.68 1dtk s GLN 29 Ca 0.00 -1.15 -0.29 0.00 0.02 0.00 0.00 55.36 53.94 1dtk s GLN 29 Cb 0.00 0.42 -0.05 0.00 1.00 0.00 0.00 33.01 34.38 1dtk s GLN 29 CO 0.00 -0.51 0.93 0.00 -2.12 0.00 0.00 175.29 173.59 1dtk s LEU 31 N 0.21 1.71 0.77 0.00 1.43 0.21 -4.93 118.68 118.08 1dtk s LEU 31 Ca 0.46 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 1dtk s LEU 31 Cb -0.22 0.56 0.05 0.00 0.03 0.00 0.00 46.19 46.61 1dtk s LEU 31 CO 0.28 -0.38 1.08 -2.16 0.23 0.00 0.00 176.35 175.41 1dtk s PRO 32 N -1.56 2.31 0.18 1.29 0.04 -1.26 -1.13 135.00 134.87 1dtk s PRO 32 Ca -0.14 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 61.51 1dtk s PRO 32 Cb -0.07 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.61 1dtk s PRO 32 CO 0.00 -1.51 1.03 -0.59 0.04 0.00 0.00 177.00 175.97 1dtk s PHE 33 N -3.06 0.05 -0.22 0.56 -0.71 0.43 -4.83 117.98 110.19 1dtk s PHE 33 Ca 0.60 -0.44 -0.07 0.00 -1.04 0.00 0.00 56.93 55.98 1dtk s PHE 33 Cb -0.15 0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 1dtk s PHE 33 CO 0.55 -0.92 0.07 -0.51 -1.34 0.00 0.00 175.22 173.07 1dtk s ASP 34 N -3.33 5.35 0.56 1.98 1.01 -1.26 -0.57 116.67 120.41 1dtk s ASP 34 Ca 0.20 -0.09 -0.08 0.00 0.71 0.00 0.00 52.55 53.30 1dtk s ASP 34 Cb -0.02 -1.94 -0.03 0.00 1.01 0.00 0.00 42.92 41.94 1dtk s ASP 34 CO 0.05 0.05 0.91 -0.47 0.21 0.00 0.00 175.17 175.91 1dtk s TYR 35 N 1.12 3.52 -0.02 4.23 5.04 0.05 -4.69 117.35 126.60 1dtk s TYR 35 Ca 0.04 0.96 -0.00 0.00 -2.44 0.00 0.00 57.07 55.63 1dtk s TYR 35 Cb -0.14 -2.56 -0.00 0.00 0.35 0.00 0.00 41.96 39.61 1dtk s TYR 35 CO 0.03 -0.56 -0.00 0.66 -1.34 0.00 0.00 175.55 174.34 1dtk h SER 36 N -0.08 0.00 0.00 4.32 4.64 -1.12 0.33 113.55 121.64 1dtk h SER 36 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1dtk h SER 36 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1dtk h SER 36 CO 0.62 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 1dtk n GLY 37 N 1.94 3.21 3.90 -0.77 0.00 -1.26 -4.06 105.19 108.15 1dtk n GLY 37 Ca -0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 0.13 0.74 2.31 0.00 0.00 -1.26 -4.03 105.19 103.07 1dtk n GLY 39 Ca -0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.73 -2.81 0.00 -0.02 0.00 -1.26 -4.64 105.19 95.73 1dtk n GLY 40 Ca -0.23 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -4.33 1.09 -0.43 1.61 0.23 -1.26 -5.05 115.26 107.13 1dtk n ASN 41 Ca 0.10 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.28 1dtk n ASN 41 Cb 0.39 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.54 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 2.75 -2.69 -2.53 0.00 -1.26 -4.61 120.51 109.18 1dtk n ALA 42 Ca 0.00 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.56 1dtk n ALA 42 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.03 5.02 -3.78 0.00 2.85 -1.26 -4.88 115.26 113.17 1dtk n ASN 43 Ca 0.16 -2.95 -0.13 0.00 -0.11 0.00 0.00 54.58 51.56 1dtk n ASN 43 Cb 0.37 -1.66 -0.12 0.00 1.24 0.00 0.00 39.78 39.61 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 2.84 0.22 -0.01 1.20 6.06 -1.26 -4.75 118.95 123.25 1dtk s ARG 44 Ca 0.48 0.33 -0.01 0.00 -2.50 0.00 0.00 55.73 54.03 1dtk s ARG 44 Cb 0.02 0.05 0.00 0.00 0.06 0.00 0.00 34.95 35.08 1dtk s ARG 44 CO 0.03 -0.06 0.03 -0.06 -2.50 0.00 0.00 175.30 172.75 1dtk s PHE 45 N 0.39 -0.03 -0.08 5.12 0.08 0.80 -4.99 117.98 119.27 1dtk s PHE 45 Ca -0.02 0.07 0.25 0.00 0.12 0.00 0.00 56.93 57.36 1dtk s PHE 45 Cb -0.04 0.01 0.78 0.00 -0.57 0.00 0.00 43.02 43.19 1dtk s PHE 45 CO -0.02 -0.03 1.76 1.57 -0.10 0.00 0.00 175.22 178.41 1dtk h LYS 46 N 6.03 0.00 -4.79 0.44 2.10 -1.93 0.25 116.57 118.67 1dtk h LYS 46 Ca -0.25 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.04 1dtk h LYS 46 Cb 1.21 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 32.28 1dtk h LYS 46 CO 0.48 0.13 -0.77 0.95 -2.00 0.00 0.00 179.45 178.24 1dtk s THR 47 N -3.44 0.74 0.38 0.07 -4.23 -1.26 -4.70 115.64 103.20 1dtk s THR 47 Ca 0.03 -0.69 0.10 0.00 -1.18 0.00 0.00 61.69 59.94 1dtk s THR 47 Cb 0.08 -0.67 0.32 0.00 1.34 0.00 0.00 72.50 73.56 1dtk s THR 47 CO 0.63 -0.00 1.92 -0.29 -0.54 0.00 0.00 174.62 176.34 1dtk h ILE 48 N 4.72 0.90 -0.16 2.99 6.09 -1.96 -1.92 117.51 128.18 1dtk h ILE 48 Ca -0.33 -0.22 -0.11 0.00 -1.37 0.00 0.00 64.86 62.82 1dtk h ILE 48 Cb 1.19 0.20 -0.01 0.00 0.47 0.00 0.00 36.82 38.67 1dtk h ILE 48 CO 0.46 0.12 -0.40 -0.08 -3.07 0.00 0.00 178.15 175.18 1dtk h GLU 49 N 0.64 0.35 -0.10 2.19 4.57 -1.97 0.28 114.58 120.54 1dtk h GLU 49 Ca 0.37 -0.17 -0.22 0.00 -1.18 0.00 0.00 59.36 58.16 1dtk h GLU 49 Cb 0.56 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1dtk h GLU 49 CO -0.14 0.70 -0.80 0.93 -1.18 0.00 0.00 179.01 178.52 1dtk h GLU 50 N 0.30 0.72 -0.01 1.92 4.39 -1.78 0.83 114.58 120.93 1dtk h GLU 50 Ca 0.03 -0.64 0.01 0.00 0.34 0.00 0.00 59.36 59.10 1dtk h GLU 50 Cb 0.84 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 1dtk h GLU 50 CO 0.07 1.24 -0.07 0.00 -1.16 0.00 0.00 179.01 179.10 1dtk h ARG 52 N -0.11 -0.06 -0.78 0.00 2.43 -0.33 -0.30 114.38 115.23 1dtk h ARG 52 Ca 0.03 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1dtk h ARG 52 Cb 0.15 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 1dtk h ARG 52 CO -0.08 -0.04 0.46 0.00 -1.51 0.00 0.00 179.97 178.80 1dtk h ARG 53 N -0.07 0.80 -0.51 0.20 -0.00 -0.58 0.23 114.38 114.46 1dtk h ARG 53 Ca 0.16 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.98 59.54 1dtk h ARG 53 Cb 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 29.97 30.08 1dtk h ARG 53 CO -0.37 0.53 0.12 1.15 0.00 0.00 0.00 179.97 181.40 1dtk h THR 54 N 0.83 1.24 0.00 2.04 2.02 0.70 -3.40 112.91 116.34 1dtk h THR 54 Ca 0.35 -0.87 -0.12 0.00 0.77 0.00 0.00 66.41 66.54 1dtk h THR 54 Cb 0.21 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1dtk h THR 54 CO -0.19 0.31 -1.47 0.00 0.37 0.00 0.00 175.52 174.55 1dtk n VAL 56 N -2.73 0.00 -1.23 0.00 0.31 0.80 -3.91 118.33 111.57 1dtk n VAL 56 Ca -0.14 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 1dtk n VAL 56 Cb 0.66 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12