#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 1.76 0.07 0.00 0.00 -1.26 -4.94 121.76 117.39 1dtk s ALA 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 51.96 51.64 1dtk s ALA 2 Cb 0.00 -3.20 -0.19 0.00 0.00 0.00 0.00 23.12 19.73 1dtk s ALA 2 CO 0.00 -2.17 1.63 -0.22 0.00 0.00 0.00 175.76 175.00 1dtk h LYS 3 N -1.42 -0.78 0.00 0.00 1.63 -2.02 -2.64 116.57 111.34 1dtk h LYS 3 Ca -0.48 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1dtk h LYS 3 Cb 1.27 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 1dtk h LYS 3 CO 0.54 -0.52 0.00 0.10 -3.45 0.00 0.00 179.45 176.13 1dtk h TYR 4 N -0.82 0.00 -0.03 1.91 -0.00 -1.94 -2.75 116.97 113.35 1dtk h TYR 4 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.66 1dtk h TYR 4 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.35 1dtk h TYR 4 CO -0.03 0.00 0.07 0.00 -0.00 0.00 0.00 178.16 178.20 1dtk h LYS 6 N 0.00 0.00 -6.80 0.00 6.56 -1.65 -3.36 116.57 111.32 1dtk h LYS 6 Ca 0.01 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.08 1dtk h LYS 6 Cb 0.15 0.00 0.07 0.00 -0.57 0.00 0.00 32.23 31.88 1dtk h LYS 6 CO -0.00 0.20 0.77 -0.51 -2.06 0.00 0.00 179.45 177.85 1dtk s LEU 7 N -8.41 4.38 0.00 2.94 1.43 0.28 -4.54 118.68 114.76 1dtk s LEU 7 Ca -0.04 2.77 -0.15 0.00 -1.03 0.00 0.00 54.13 55.69 1dtk s LEU 7 Cb 0.15 -3.64 0.22 0.00 0.03 0.00 0.00 46.19 42.95 1dtk s LEU 7 CO 0.69 -0.74 1.00 -0.81 0.23 0.00 0.00 176.35 176.72 1dtk n PRO 8 N 1.82 -1.88 -1.68 1.29 -0.04 -1.26 -4.45 135.00 128.80 1dtk n PRO 8 Ca 0.05 -1.57 -0.46 0.00 -0.04 0.00 0.00 63.50 61.48 1dtk n PRO 8 Cb 0.40 -1.23 -0.04 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 3.53 -3.38 1.53 7.94 -1.26 -4.92 117.00 120.44 1dtk n LEU 9 Ca 0.13 0.99 -0.27 0.00 -1.11 0.00 0.00 56.01 55.76 1dtk n LEU 9 Cb 0.48 -1.43 -0.10 0.00 0.53 0.00 0.00 43.42 42.90 1dtk n LEU 9 CO 0.34 -0.05 -0.31 -0.60 -1.11 0.00 0.00 177.39 175.66 1dtk s ARG 10 N 3.16 0.90 0.34 1.96 6.06 -1.26 -4.96 118.95 125.15 1dtk s ARG 10 Ca 0.87 -2.09 0.03 0.00 -2.50 0.00 0.00 55.73 52.05 1dtk s ARG 10 Cb -0.63 -1.39 0.61 0.00 0.06 0.00 0.00 34.95 33.60 1dtk s ARG 10 CO 0.45 -1.39 1.94 0.82 -2.50 0.00 0.00 175.30 174.63 1dtk h ILE 11 N 4.64 1.18 0.00 4.11 2.04 -1.87 -3.41 117.51 124.20 1dtk h ILE 11 Ca 0.26 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1dtk h ILE 11 Cb 0.91 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1dtk h ILE 11 CO 0.36 0.21 0.00 0.61 0.00 0.00 0.00 178.15 179.33 1dtk n GLY 12 N -1.18 -1.55 0.13 5.37 0.00 -1.25 -1.91 105.19 104.79 1dtk n GLY 12 Ca 0.04 -1.53 0.10 0.00 0.00 0.00 0.00 46.02 44.64 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 1.17 -1.48 1.61 -0.04 -1.24 -4.70 135.00 129.27 1dtk n PRO 13 Ca 0.00 -0.25 -0.30 0.00 -0.04 0.00 0.00 63.50 62.91 1dtk n PRO 13 Cb 0.00 -1.34 0.09 0.00 -0.04 0.00 0.00 33.50 32.21 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 -3.44 3.19 -4.57 0.00 4.81 -1.26 -4.73 118.16 112.16 1dtk n LYS 15 Ca 0.07 -3.86 -0.30 0.00 -0.87 0.00 0.00 58.31 53.36 1dtk n LYS 15 Cb 0.55 -2.28 -0.08 0.00 0.02 0.00 0.00 35.03 33.24 1dtk n LYS 15 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1dtk s ARG 16 N -3.72 2.12 -0.36 1.64 0.52 -1.26 -5.12 118.95 112.77 1dtk s ARG 16 Ca 0.55 -2.21 0.05 0.00 -0.52 0.00 0.00 55.73 53.61 1dtk s ARG 16 Cb 0.44 -1.67 0.17 0.00 0.52 0.00 0.00 34.95 34.42 1dtk s ARG 16 CO -0.07 -0.25 0.51 0.21 0.02 0.00 0.00 175.30 175.73 1dtk s LYS 17 N -3.86 0.66 -0.21 3.54 2.36 -1.23 -4.26 119.74 116.74 1dtk s LYS 17 Ca 0.22 -0.27 0.01 0.00 -2.55 0.00 0.00 55.97 53.38 1dtk s LYS 17 Cb 0.04 -0.20 0.05 0.00 -1.05 0.00 0.00 37.83 36.67 1dtk s LYS 17 CO 0.12 -1.15 -0.09 0.42 1.55 0.00 0.00 175.35 176.20 1dtk s ILE 18 N 1.97 1.68 0.06 5.43 1.01 0.55 -4.94 121.20 126.96 1dtk s ILE 18 Ca 0.14 -1.11 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 1dtk s ILE 18 Cb -0.10 -1.79 -0.09 0.00 0.01 0.00 0.00 42.46 40.49 1dtk s ILE 18 CO -0.13 0.10 1.89 -2.16 0.00 0.00 0.00 174.94 174.64 1dtk s PRO 19 N 1.37 4.14 0.31 2.79 0.04 -1.26 -0.43 135.00 141.96 1dtk s PRO 19 Ca -0.03 2.57 0.05 0.00 0.04 0.00 0.00 61.00 63.63 1dtk s PRO 19 Cb -0.17 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.40 1dtk s PRO 19 CO -0.08 -0.90 0.21 -1.12 0.04 0.00 0.00 177.00 175.16 1dtk s SER 20 N 3.71 1.52 0.03 6.66 0.01 0.26 -4.87 113.70 121.02 1dtk s SER 20 Ca 0.84 -1.65 0.07 0.00 1.31 0.00 0.00 55.95 56.52 1dtk s SER 20 Cb -0.43 0.49 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 1dtk s SER 20 CO 0.39 -0.98 -0.20 -0.36 0.41 0.00 0.00 173.24 172.49 1dtk s PHE 21 N -3.57 1.80 0.19 2.43 0.40 0.92 -0.47 117.98 119.68 1dtk s PHE 21 Ca 0.38 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 1dtk s PHE 21 Cb 0.04 -1.09 -0.04 0.00 0.51 0.00 0.00 43.02 42.43 1dtk s PHE 21 CO 0.22 0.07 0.07 1.52 0.70 0.00 0.00 175.22 177.80 1dtk s TYR 22 N -0.75 1.16 -0.42 0.36 1.13 -0.27 -0.43 117.35 118.14 1dtk s TYR 22 Ca 0.07 -1.22 -0.14 0.00 -1.41 0.00 0.00 57.07 54.38 1dtk s TYR 22 Cb -0.09 -0.64 0.04 0.00 -1.10 0.00 0.00 41.96 40.18 1dtk s TYR 22 CO 0.01 -0.45 0.31 -0.47 -2.51 0.00 0.00 175.55 172.44 1dtk s TYR 23 N -3.93 3.25 -0.87 -3.49 6.14 -1.26 -0.58 117.35 116.61 1dtk s TYR 23 Ca 0.31 -0.84 -0.25 0.00 0.64 0.00 0.00 57.07 56.93 1dtk s TYR 23 Cb 0.07 -2.76 0.03 0.00 0.42 0.00 0.00 41.96 39.72 1dtk s TYR 23 CO 0.08 -0.68 1.41 0.21 0.64 0.00 0.00 175.55 177.20 1dtk s LYS 24 N 1.62 3.33 0.36 4.97 2.20 0.43 -4.75 119.74 127.91 1dtk s LYS 24 Ca 0.04 -0.61 0.10 0.00 -0.36 0.00 0.00 55.97 55.13 1dtk s LYS 24 Cb -0.21 -4.76 0.85 0.00 -1.51 0.00 0.00 37.83 32.20 1dtk s LYS 24 CO 0.08 -2.25 1.87 2.35 -0.36 0.00 0.00 175.35 177.04 1dtk h TRP 25 N 10.16 0.78 -0.04 4.03 2.91 -1.78 0.33 115.95 132.35 1dtk h TRP 25 Ca -0.04 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.01 1dtk h TRP 25 Cb 1.03 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.44 1dtk h TRP 25 CO 1.20 0.28 0.04 -0.22 -1.03 0.00 0.00 178.44 178.71 1dtk h LYS 26 N 0.66 0.00 0.00 2.65 3.64 -1.88 -2.16 116.57 119.48 1dtk h LYS 26 Ca 0.44 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.54 1dtk h LYS 26 Cb 0.75 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 1dtk h LYS 26 CO -0.20 0.00 -2.25 0.00 -2.27 0.00 0.00 179.45 174.73 1dtk n ALA 27 N -2.38 1.78 -2.77 5.00 0.00 0.48 -5.03 120.51 117.59 1dtk n ALA 27 Ca -0.02 -1.13 -0.07 0.00 0.00 0.00 0.00 53.44 52.23 1dtk n ALA 27 Cb 0.13 -0.35 0.02 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 -2.67 -2.29 -3.74 0.00 5.02 0.86 -5.07 118.16 110.28 1dtk n LYS 28 Ca -0.26 0.24 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 1dtk n LYS 28 Cb 1.03 -3.49 -0.03 0.00 -0.02 0.00 0.00 35.03 32.52 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 -5.27 1.49 0.09 1.97 -0.21 -1.18 -5.02 119.66 111.53 1dtk s GLN 29 Ca 0.15 -0.87 -0.28 0.00 0.02 0.00 0.00 55.36 54.38 1dtk s GLN 29 Cb -0.07 0.55 -0.06 0.00 1.00 0.00 0.00 33.01 34.44 1dtk s GLN 29 CO 0.21 -0.65 0.90 0.00 -2.12 0.00 0.00 175.29 173.64 1dtk s LEU 31 N 0.01 2.20 0.74 0.00 1.43 0.26 -4.93 118.68 118.38 1dtk s LEU 31 Ca 0.44 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 1dtk s LEU 31 Cb -0.22 0.03 0.04 0.00 0.03 0.00 0.00 46.19 46.06 1dtk s LEU 31 CO 0.28 -0.22 1.08 -2.16 0.23 0.00 0.00 176.35 175.55 1dtk s PRO 32 N -1.20 2.54 0.09 1.29 0.04 -1.26 -1.11 135.00 135.39 1dtk s PRO 32 Ca -0.12 0.90 -0.26 0.00 0.04 0.00 0.00 61.00 61.57 1dtk s PRO 32 Cb -0.08 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.60 1dtk s PRO 32 CO -0.01 -1.36 1.15 -0.59 0.04 0.00 0.00 177.00 176.23 1dtk s PHE 33 N -3.05 0.02 -0.30 0.56 -0.71 0.38 -4.85 117.98 110.04 1dtk s PHE 33 Ca 0.59 -0.28 -0.12 0.00 -1.04 0.00 0.00 56.93 56.08 1dtk s PHE 33 Cb -0.15 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.25 1dtk s PHE 33 CO 0.55 -0.60 0.25 -0.51 -1.34 0.00 0.00 175.22 173.57 1dtk s ASP 34 N -3.45 6.08 0.55 1.98 1.01 -1.26 -0.57 116.67 121.00 1dtk s ASP 34 Ca 0.23 -0.12 -0.16 0.00 0.71 0.00 0.00 52.55 53.21 1dtk s ASP 34 Cb -0.01 -2.14 -0.06 0.00 1.01 0.00 0.00 42.92 41.72 1dtk s ASP 34 CO 0.02 -0.15 1.01 -0.47 0.21 0.00 0.00 175.17 175.79 1dtk s TYR 35 N 1.82 3.33 0.00 4.23 5.04 0.43 -4.78 117.35 127.41 1dtk s TYR 35 Ca 0.08 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 1dtk s TYR 35 Cb -0.16 -2.85 0.00 0.00 0.35 0.00 0.00 41.96 39.30 1dtk s TYR 35 CO 0.11 -0.63 0.02 -1.13 -1.34 0.00 0.00 175.55 172.58 1dtk n SER 36 N -1.84 0.00 0.00 4.32 3.41 -0.80 -0.33 113.62 118.38 1dtk n SER 36 Ca 0.07 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 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 2.54 0.24 3.70 5.00 0.00 -1.26 -4.11 105.19 111.30 1dtk n GLY 37 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.14 -0.52 0.00 0.00 0.00 -1.26 -3.60 105.19 99.66 1dtk n GLY 39 Ca -0.09 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.55 -0.13 0.74 -0.02 0.00 -1.26 -3.80 105.19 99.17 1dtk n GLY 40 Ca -0.07 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.32 0.00 1.61 0.23 -1.26 -4.93 115.26 110.60 1dtk n ASN 41 Ca 0.00 -1.16 0.09 0.00 -0.53 0.00 0.00 54.58 52.98 1dtk n ASN 41 Cb 0.00 0.51 0.50 0.00 -2.08 0.00 0.00 39.78 38.72 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 -2.58 2.57 -2.57 -2.53 0.00 -1.26 -4.33 120.51 109.81 1dtk n ALA 42 Ca -0.03 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 1dtk n ALA 42 Cb 0.11 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.77 5.47 -3.74 0.00 2.85 -1.26 -4.94 115.26 112.87 1dtk n ASN 43 Ca 0.13 -3.18 -0.12 0.00 -0.11 0.00 0.00 54.58 51.29 1dtk n ASN 43 Cb 0.06 -1.43 -0.11 0.00 1.24 0.00 0.00 39.78 39.55 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 -0.45 0.40 -0.07 1.20 3.52 -1.26 -4.51 118.95 117.78 1dtk s ARG 44 Ca 0.37 0.57 -0.08 0.00 -0.13 0.00 0.00 55.73 56.46 1dtk s ARG 44 Cb 0.07 0.13 0.02 0.00 -1.56 0.00 0.00 34.95 33.61 1dtk s ARG 44 CO 0.03 -0.08 0.22 -0.06 -0.81 0.00 0.00 175.30 174.60 1dtk s PHE 45 N 0.54 -0.21 -0.31 5.12 0.08 0.43 -4.99 117.98 118.64 1dtk s PHE 45 Ca -0.03 0.51 0.21 0.00 0.12 0.00 0.00 56.93 57.74 1dtk s PHE 45 Cb -0.04 0.07 0.16 0.00 -0.57 0.00 0.00 43.02 42.64 1dtk s PHE 45 CO -0.03 -0.15 1.37 1.57 -0.10 0.00 0.00 175.22 177.87 1dtk h LYS 46 N 5.53 0.00 -6.01 0.44 2.10 -1.93 0.26 116.57 116.96 1dtk h LYS 46 Ca -0.26 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.83 1dtk h LYS 46 Cb 1.19 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.38 1dtk h LYS 46 CO 0.37 0.12 -0.75 0.95 -2.00 0.00 0.00 179.45 178.14 1dtk s THR 47 N -3.18 2.25 0.21 0.07 -4.23 -1.26 -4.73 115.64 104.76 1dtk s THR 47 Ca 0.04 -2.34 -0.05 0.00 -1.18 0.00 0.00 61.69 58.16 1dtk s THR 47 Cb 0.07 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.71 1dtk s THR 47 CO 0.73 -0.46 1.60 -0.29 -0.54 0.00 0.00 174.62 175.66 1dtk h ILE 48 N 2.38 1.28 -0.39 2.99 6.09 -1.96 -3.11 117.51 124.79 1dtk h ILE 48 Ca -0.39 -1.42 -0.04 0.00 -1.37 0.00 0.00 64.86 61.64 1dtk h ILE 48 Cb 1.25 1.31 -0.02 0.00 0.47 0.00 0.00 36.82 39.83 1dtk h ILE 48 CO 0.60 0.47 0.10 -0.33 -3.07 0.00 0.00 178.15 175.92 1dtk h GLU 49 N 0.64 0.62 -0.54 2.19 3.07 -1.98 0.24 114.58 118.82 1dtk h GLU 49 Ca 0.08 -0.15 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 1dtk h GLU 49 Cb 0.81 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 1dtk h GLU 49 CO 0.07 0.65 0.19 1.05 -1.40 0.00 0.00 179.01 179.57 1dtk h GLU 50 N 0.49 0.82 0.30 2.33 4.11 -1.98 0.22 114.58 120.87 1dtk h GLU 50 Ca 0.12 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1dtk h GLU 50 Cb 0.30 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1dtk h GLU 50 CO 0.00 0.74 -0.35 0.00 0.07 0.00 0.00 179.01 179.46 1dtk h ARG 52 N -0.70 0.57 0.00 0.00 2.43 -0.16 -0.97 114.38 115.55 1dtk h ARG 52 Ca -0.01 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1dtk h ARG 52 Cb 0.65 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1dtk h ARG 52 CO -0.10 0.37 -0.12 0.00 -1.51 0.00 0.00 179.97 178.62 1dtk h ARG 53 N 0.58 0.00 0.31 0.20 2.47 -0.45 0.35 114.38 117.83 1dtk h ARG 53 Ca 0.22 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.93 1dtk h ARG 53 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1dtk h ARG 53 CO -0.12 0.12 -0.15 1.15 0.56 0.00 0.00 179.97 181.53 1dtk h THR 54 N 0.00 0.40 0.04 2.04 2.02 0.34 -3.41 112.91 114.33 1dtk h THR 54 Ca -0.00 -0.80 -0.34 0.00 0.77 0.00 0.00 66.41 66.03 1dtk h THR 54 Cb 0.80 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1dtk h THR 54 CO 0.02 0.10 -2.06 0.00 0.37 0.00 0.00 175.52 173.95 1dtk s VAL 56 N -2.55 2.64 0.00 0.00 1.01 0.12 -3.88 120.40 117.74 1dtk s VAL 56 Ca -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1dtk s VAL 56 Cb 0.07 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1dtk s VAL 56 CO 0.77 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.48