#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 2.85 0.22 0.00 0.00 -1.26 -4.97 121.76 118.60 1dtk s ALA 2 Ca 0.00 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 50.54 1dtk s ALA 2 Cb 0.00 -0.79 0.30 0.00 0.00 0.00 0.00 23.12 22.62 1dtk s ALA 2 CO 0.00 0.61 1.64 -0.22 0.00 0.00 0.00 175.76 177.79 1dtk h LYS 3 N 3.60 0.05 0.00 0.00 3.11 -2.02 0.09 116.57 121.41 1dtk h LYS 3 Ca -0.49 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 1dtk h LYS 3 Cb 1.17 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 1dtk h LYS 3 CO 0.50 0.04 0.00 0.10 -2.81 0.00 0.00 179.45 177.28 1dtk h TYR 4 N 0.06 0.00 -0.19 1.91 -0.00 -1.96 -2.93 116.97 113.85 1dtk h TYR 4 Ca 0.33 0.00 0.06 0.00 0.00 0.00 0.00 58.73 59.12 1dtk h TYR 4 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.26 1dtk h TYR 4 CO -0.45 0.00 0.18 0.00 -0.00 0.00 0.00 178.16 177.89 1dtk h LYS 6 N 0.00 0.13 -6.97 0.00 6.56 -1.70 -3.39 116.57 111.20 1dtk h LYS 6 Ca 0.09 -0.03 -0.54 0.00 -1.06 0.00 0.00 60.65 59.11 1dtk h LYS 6 Cb 0.45 -0.02 0.11 0.00 -0.57 0.00 0.00 32.23 32.21 1dtk h LYS 6 CO -0.00 0.28 0.71 -0.51 -2.06 0.00 0.00 179.45 177.87 1dtk s LEU 7 N -8.72 4.18 1.05 2.94 1.43 0.29 -4.71 118.68 115.13 1dtk s LEU 7 Ca -0.05 2.92 -0.17 0.00 -1.03 0.00 0.00 54.13 55.80 1dtk s LEU 7 Cb 0.16 -3.86 0.23 0.00 0.03 0.00 0.00 46.19 42.74 1dtk s LEU 7 CO 0.72 -1.06 1.24 -2.16 0.23 0.00 0.00 176.35 175.32 1dtk s PRO 8 N -2.33 -0.04 0.30 1.29 0.04 -1.26 -4.75 135.00 128.25 1dtk s PRO 8 Ca 0.58 -0.27 -0.29 0.00 0.04 0.00 0.00 61.00 61.06 1dtk s PRO 8 Cb -0.44 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 1dtk s PRO 8 CO 0.57 -2.89 1.42 -0.11 0.04 0.00 0.00 177.00 176.03 1dtk n LEU 9 N -4.13 3.75 -2.88 -3.56 7.94 -1.26 -4.88 117.00 111.97 1dtk n LEU 9 Ca 0.14 1.18 -0.09 0.00 -1.11 0.00 0.00 56.01 56.13 1dtk n LEU 9 Cb 0.59 -1.51 -0.01 0.00 0.53 0.00 0.00 43.42 43.03 1dtk n LEU 9 CO 0.46 -0.27 0.04 -1.14 -1.11 0.00 0.00 177.39 175.37 1dtk n ARG 10 N 1.34 0.50 -0.02 1.96 3.00 -1.26 -5.00 116.66 117.18 1dtk n ARG 10 Ca 0.07 -2.23 -0.14 0.00 -0.00 0.00 0.00 57.85 55.54 1dtk n ARG 10 Cb 0.35 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.28 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 4.71 1.30 0.00 5.15 1.08 -1.89 -3.40 117.51 124.46 1dtk h ILE 11 Ca 0.08 -1.92 0.00 0.00 -0.39 0.00 0.00 64.86 62.63 1dtk h ILE 11 Cb 1.06 1.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.71 1dtk h ILE 11 CO 0.11 0.61 0.00 0.61 -0.69 0.00 0.00 178.15 178.78 1dtk n GLY 12 N 0.54 -1.63 1.50 5.37 0.00 -1.26 -0.90 105.19 108.80 1dtk n GLY 12 Ca -0.06 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.64 1.49 -2.14 1.61 -0.04 -1.24 -4.54 135.00 129.50 1dtk n PRO 13 Ca 0.00 -1.16 -0.27 0.00 -0.04 0.00 0.00 63.50 62.04 1dtk n PRO 13 Cb 0.00 -1.45 0.10 0.00 -0.04 0.00 0.00 33.50 32.11 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 -3.14 2.98 -4.25 0.00 4.76 -1.26 -4.87 118.16 112.38 1dtk n LYS 15 Ca 0.10 -3.59 -0.17 0.00 -2.87 0.00 0.00 58.31 51.78 1dtk n LYS 15 Cb 0.60 -2.28 -0.08 0.00 -1.84 0.00 0.00 35.03 31.43 1dtk n LYS 15 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1dtk s ARG 16 N -3.78 1.63 -0.24 1.97 1.81 -1.25 -5.09 118.95 114.01 1dtk s ARG 16 Ca 0.60 -1.91 -0.03 0.00 -1.72 0.00 0.00 55.73 52.67 1dtk s ARG 16 Cb 0.47 0.32 0.13 0.00 -0.45 0.00 0.00 34.95 35.42 1dtk s ARG 16 CO -0.03 -0.60 0.38 0.15 -0.68 0.00 0.00 175.30 174.52 1dtk s LYS 17 N -3.60 0.35 -0.15 3.54 1.02 -1.17 -4.33 119.74 115.40 1dtk s LYS 17 Ca 0.40 0.57 0.01 0.00 0.02 0.00 0.00 55.97 56.98 1dtk s LYS 17 Cb 0.03 -0.41 0.02 0.00 -0.52 0.00 0.00 37.83 36.95 1dtk s LYS 17 CO 0.24 -0.62 -0.19 0.42 -0.92 0.00 0.00 175.35 174.28 1dtk s ILE 18 N 2.56 1.89 0.45 2.17 1.09 0.45 -4.96 121.20 124.86 1dtk s ILE 18 Ca 0.12 -0.86 -0.25 0.00 -1.10 0.00 0.00 60.65 58.57 1dtk s ILE 18 Cb -0.15 -1.71 -0.08 0.00 -1.06 0.00 0.00 42.46 39.46 1dtk s ILE 18 CO -0.16 0.52 1.35 -2.16 -0.10 0.00 0.00 174.94 174.39 1dtk s PRO 19 N 1.12 3.69 0.32 2.79 0.04 -1.26 -0.41 135.00 141.28 1dtk s PRO 19 Ca -0.01 2.23 -0.14 0.00 0.04 0.00 0.00 61.00 63.13 1dtk s PRO 19 Cb -0.14 -2.59 0.02 0.00 0.04 0.00 0.00 34.50 31.83 1dtk s PRO 19 CO -0.07 -0.75 0.64 -1.12 0.04 0.00 0.00 177.00 175.74 1dtk s SER 20 N -0.75 0.11 0.08 6.66 0.01 0.50 -4.81 113.70 115.50 1dtk s SER 20 Ca 0.62 -1.05 0.07 0.00 1.31 0.00 0.00 55.95 56.90 1dtk s SER 20 Cb -0.40 0.73 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 1dtk s SER 20 CO 0.50 -1.42 -0.13 -0.36 0.41 0.00 0.00 173.24 172.24 1dtk s PHE 21 N -3.19 2.68 0.28 2.43 0.40 0.56 -0.41 117.98 120.72 1dtk s PHE 21 Ca 0.19 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.36 1dtk s PHE 21 Cb -0.03 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 1dtk s PHE 21 CO 0.12 0.37 0.16 1.52 0.70 0.00 0.00 175.22 178.08 1dtk s TYR 22 N -1.10 1.50 -0.34 0.36 1.13 -0.05 -0.32 117.35 118.54 1dtk s TYR 22 Ca 0.18 -1.38 -0.09 0.00 -1.41 0.00 0.00 57.07 54.38 1dtk s TYR 22 Cb -0.11 -0.78 0.02 0.00 -1.10 0.00 0.00 41.96 39.99 1dtk s TYR 22 CO 0.10 -0.56 0.15 -0.47 -2.51 0.00 0.00 175.55 172.26 1dtk s TYR 23 N -3.74 3.21 -1.14 -3.49 6.14 -1.26 -0.62 117.35 116.45 1dtk s TYR 23 Ca 0.37 -0.99 -0.21 0.00 0.64 0.00 0.00 57.07 56.88 1dtk s TYR 23 Cb 0.06 -2.35 0.03 0.00 0.42 0.00 0.00 41.96 40.11 1dtk s TYR 23 CO 0.17 -0.61 1.68 0.21 0.64 0.00 0.00 175.55 177.63 1dtk s LYS 24 N 1.52 3.49 0.41 4.97 2.20 -0.16 -4.82 119.74 127.35 1dtk s LYS 24 Ca 0.02 -1.38 0.14 0.00 -0.36 0.00 0.00 55.97 54.39 1dtk s LYS 24 Cb -0.18 -5.38 1.00 0.00 -1.51 0.00 0.00 37.83 31.75 1dtk s LYS 24 CO 0.05 -2.59 1.91 2.35 -0.36 0.00 0.00 175.35 176.71 1dtk h TRP 25 N 9.08 0.56 -0.95 4.03 2.91 -1.84 0.23 115.95 129.97 1dtk h TRP 25 Ca 0.29 0.02 0.22 0.00 1.13 0.00 0.00 58.89 60.54 1dtk h TRP 25 Cb 0.95 -0.18 -0.12 0.00 -0.51 0.00 0.00 29.16 29.30 1dtk h TRP 25 CO 1.32 0.21 0.52 -0.22 -1.03 0.00 0.00 178.44 179.24 1dtk h LYS 26 N 0.48 0.55 0.00 2.65 3.64 -1.90 -3.10 116.57 118.89 1dtk h LYS 26 Ca 0.39 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.66 1dtk h LYS 26 Cb 0.82 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1dtk h LYS 26 CO -0.14 0.36 -0.76 0.00 -2.27 0.00 0.00 179.45 176.65 1dtk n ALA 27 N -2.38 0.56 -0.24 5.00 0.00 0.29 -5.07 120.51 118.67 1dtk n ALA 27 Ca 0.24 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1dtk n ALA 27 Cb 0.65 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -4.56 0.00 -3.56 0.00 5.02 0.54 -5.10 118.16 110.50 1dtk n LYS 28 Ca -0.15 0.08 -0.11 0.00 -2.02 0.00 0.00 58.31 56.10 1dtk n LYS 28 Cb 0.40 -0.24 -0.05 0.00 -0.02 0.00 0.00 35.03 35.12 1dtk n LYS 28 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1dtk s GLN 29 N -1.80 0.70 -0.07 1.97 -2.07 -1.25 -5.02 119.66 112.12 1dtk s GLN 29 Ca 0.00 0.09 -0.17 0.00 -1.82 0.00 0.00 55.36 53.46 1dtk s GLN 29 Cb 0.00 0.33 -0.05 0.00 -1.09 0.00 0.00 33.01 32.20 1dtk s GLN 29 CO 0.00 -0.24 0.47 0.00 -1.32 0.00 0.00 175.29 174.20 1dtk s LEU 31 N 0.05 1.32 0.63 0.00 1.43 0.21 -4.97 118.68 117.33 1dtk s LEU 31 Ca 0.26 0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.54 1dtk s LEU 31 Cb -0.16 0.57 -0.02 0.00 0.03 0.00 0.00 46.19 46.61 1dtk s LEU 31 CO 0.12 -0.06 1.08 -2.16 0.23 0.00 0.00 176.35 175.56 1dtk s PRO 32 N 0.15 3.05 0.15 1.29 0.04 -1.26 -0.87 135.00 137.54 1dtk s PRO 32 Ca -0.01 1.29 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 1dtk s PRO 32 Cb -0.02 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.61 1dtk s PRO 32 CO -0.00 -1.04 1.07 -0.59 0.04 0.00 0.00 177.00 176.48 1dtk s PHE 33 N -2.42 0.04 -0.21 0.56 -0.71 0.45 -4.87 117.98 110.81 1dtk s PHE 33 Ca 0.65 -0.37 -0.08 0.00 -1.04 0.00 0.00 56.93 56.09 1dtk s PHE 33 Cb -0.18 0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1dtk s PHE 33 CO 0.40 -0.80 0.07 -0.51 -1.34 0.00 0.00 175.22 173.05 1dtk s ASP 34 N -3.38 5.47 0.30 1.98 1.01 -1.26 -0.37 116.67 120.42 1dtk s ASP 34 Ca 0.21 -0.03 -0.16 0.00 0.71 0.00 0.00 52.55 53.27 1dtk s ASP 34 Cb -0.02 -1.96 -0.09 0.00 1.01 0.00 0.00 42.92 41.86 1dtk s ASP 34 CO 0.04 0.08 0.74 -0.47 0.21 0.00 0.00 175.17 175.77 1dtk s TYR 35 N 0.94 3.45 -0.04 4.23 5.04 0.45 -4.84 117.35 126.57 1dtk s TYR 35 Ca 0.04 1.28 -0.08 0.00 -2.44 0.00 0.00 57.07 55.87 1dtk s TYR 35 Cb -0.14 -2.57 -0.05 0.00 0.35 0.00 0.00 41.96 39.56 1dtk s TYR 35 CO 0.03 0.15 0.40 0.66 -1.34 0.00 0.00 175.55 175.45 1dtk h SER 36 N 2.56 -0.25 0.00 4.32 4.64 -1.21 0.13 113.55 123.73 1dtk h SER 36 Ca -0.48 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1dtk h SER 36 Cb 1.18 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1dtk h SER 36 CO 0.65 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 1dtk n GLY 37 N 0.91 1.33 3.35 -0.77 0.00 -1.26 -3.01 105.19 105.73 1dtk n GLY 37 Ca -0.04 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 1.73 0.63 3.83 0.00 0.00 -1.26 -3.62 105.19 106.50 1dtk n GLY 39 Ca -0.17 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 1dtk n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dtk s GLY 40 N -2.65 2.33 0.04 -0.02 0.00 -1.26 -4.12 107.32 101.64 1dtk s GLY 40 Ca 0.00 0.22 -0.00 0.00 0.00 0.00 0.00 44.72 44.94 1dtk s GLY 40 CO 0.00 0.47 0.06 1.16 0.00 0.00 0.00 173.10 174.79 1dtk n ASN 41 N -0.64 0.04 0.04 1.64 0.23 -1.26 -5.01 115.26 110.31 1dtk n ASN 41 Ca 0.05 -1.04 0.12 0.00 -0.53 0.00 0.00 54.58 53.18 1dtk n ASN 41 Cb 0.54 -0.04 0.49 0.00 -2.08 0.00 0.00 39.78 38.69 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 -3.01 2.11 -2.20 -2.53 0.00 -1.26 -4.46 120.51 109.15 1dtk n ALA 42 Ca -0.01 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 1dtk n ALA 42 Cb 0.03 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.78 4.29 -3.67 0.00 2.85 -1.26 -4.83 115.26 110.85 1dtk n ASN 43 Ca 0.05 -2.86 -0.09 0.00 -0.11 0.00 0.00 54.58 51.57 1dtk n ASN 43 Cb 0.32 -1.69 -0.09 0.00 1.24 0.00 0.00 39.78 39.56 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 4.25 0.54 -0.00 1.20 3.52 -1.26 -4.65 118.95 122.55 1dtk s ARG 44 Ca 0.54 0.96 0.01 0.00 -0.13 0.00 0.00 55.73 57.11 1dtk s ARG 44 Cb 0.07 0.08 -0.00 0.00 -1.56 0.00 0.00 34.95 33.53 1dtk s ARG 44 CO 0.04 -0.15 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.29 1dtk s PHE 45 N 1.37 0.29 0.15 5.12 0.08 0.57 -5.00 117.98 120.56 1dtk s PHE 45 Ca -0.09 -0.05 0.20 0.00 0.12 0.00 0.00 56.93 57.11 1dtk s PHE 45 Cb -0.07 -0.19 0.72 0.00 -0.57 0.00 0.00 43.02 42.91 1dtk s PHE 45 CO -0.14 -0.01 1.75 0.87 -0.10 0.00 0.00 175.22 177.59 1dtk h LYS 46 N 6.08 0.00 -5.21 0.44 1.57 -1.94 0.16 116.57 117.67 1dtk h LYS 46 Ca -0.27 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.15 1dtk h LYS 46 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.36 1dtk h LYS 46 CO 0.50 0.34 -0.71 0.95 -0.57 0.00 0.00 179.45 179.97 1dtk s THR 47 N -3.61 1.31 0.17 -0.16 -4.23 -1.26 -4.61 115.64 103.24 1dtk s THR 47 Ca 0.00 -2.10 -0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1dtk s THR 47 Cb 0.11 -1.97 -0.13 0.00 1.34 0.00 0.00 72.50 71.84 1dtk s THR 47 CO 0.68 -0.65 1.40 -0.29 -0.54 0.00 0.00 174.62 175.22 1dtk h ILE 48 N 2.67 1.42 -0.28 2.99 -0.00 -1.95 -2.98 117.51 119.39 1dtk h ILE 48 Ca -0.37 -2.34 -0.19 0.00 -0.00 0.00 0.00 64.86 61.96 1dtk h ILE 48 Cb 1.20 2.28 0.00 0.00 -0.00 0.00 0.00 36.82 40.31 1dtk h ILE 48 CO 0.63 0.69 -0.56 1.05 -0.00 0.00 0.00 178.15 179.96 1dtk h GLU 49 N 0.20 0.86 -0.36 2.19 4.11 -1.98 0.10 114.58 119.70 1dtk h GLU 49 Ca -0.04 -0.56 -0.04 0.00 0.07 0.00 0.00 59.36 58.79 1dtk h GLU 49 Cb 1.41 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1dtk h GLU 49 CO 0.13 1.19 0.09 1.05 0.07 0.00 0.00 179.01 181.54 1dtk h GLU 50 N 0.66 0.58 0.09 1.06 4.11 -1.98 0.15 114.58 119.24 1dtk h GLU 50 Ca 0.01 -0.14 0.02 0.00 0.07 0.00 0.00 59.36 59.32 1dtk h GLU 50 Cb 1.17 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1dtk h GLU 50 CO 0.12 0.62 -0.37 0.00 0.07 0.00 0.00 179.01 179.46 1dtk h ARG 52 N -0.58 0.47 -0.57 0.00 2.43 -0.53 0.54 114.38 116.12 1dtk h ARG 52 Ca 0.03 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1dtk h ARG 52 Cb 0.63 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1dtk h ARG 52 CO -0.24 0.31 0.04 -0.09 -1.51 0.00 0.00 179.97 178.48 1dtk h ARG 53 N 0.48 0.96 -0.01 0.20 2.43 -0.40 0.20 114.38 118.24 1dtk h ARG 53 Ca 0.17 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1dtk h ARG 53 Cb 0.03 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1dtk h ARG 53 CO -0.09 0.92 -0.04 1.15 -1.51 0.00 0.00 179.97 180.40 1dtk h THR 54 N 0.90 1.53 0.00 0.20 2.02 -0.40 -3.41 112.91 113.74 1dtk h THR 54 Ca 0.17 -1.60 -0.04 0.00 0.77 0.00 0.00 66.41 65.70 1dtk h THR 54 Cb 0.47 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 1dtk h THR 54 CO 0.02 0.42 -0.39 0.00 0.37 0.00 0.00 175.52 175.94 1dtk n VAL 56 N -4.63 0.00 -1.69 0.00 0.31 0.68 0.55 118.33 113.55 1dtk n VAL 56 Ca -0.10 -0.85 0.00 0.00 -0.01 0.00 0.00 64.34 63.38 1dtk n VAL 56 Cb 0.30 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1dtk n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12