#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fif s SER 3 N 0.00 4.43 0.15 -3.46 0.01 -1.26 -4.49 113.70 109.07 3fif s SER 3 Ca 0.00 2.58 0.07 0.00 1.31 0.00 0.00 55.95 59.91 3fif s SER 3 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 3fif s SER 3 CO 0.00 -2.12 -0.05 -0.62 0.41 0.00 0.00 173.24 170.86 3fif s ASP 4 N -1.53 4.60 0.03 2.44 3.68 -0.33 -4.45 116.67 121.11 3fif s ASP 4 Ca 0.81 -0.40 0.04 0.00 2.13 0.00 0.00 52.55 55.13 3fif s ASP 4 Cb -0.36 -0.93 -0.02 0.00 -1.45 0.00 0.00 42.92 40.16 3fif s ASP 4 CO 0.42 0.13 -0.12 -0.31 0.13 0.00 0.00 175.17 175.41 3fif s TYR 5 N -1.53 1.08 0.00 -5.34 1.51 -1.23 -0.30 117.35 111.53 3fif s TYR 5 Ca 0.25 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.97 3fif s TYR 5 Cb -0.10 -0.65 0.00 0.00 -0.11 0.00 0.00 41.96 41.11 3fif s TYR 5 CO 0.17 0.01 0.00 0.28 -1.11 0.00 0.00 175.55 174.90 3fif n VAL 6 N 1.98 0.00 -3.22 0.71 0.31 0.15 -2.05 118.33 116.22 3fif n VAL 6 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3fif n VAL 6 Cb 0.55 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.45 3fif n VAL 6 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fif s ALA 8 N -2.00 -1.92 0.40 3.52 0.00 0.20 0.18 121.76 122.14 3fif s ALA 8 Ca 0.00 1.59 -0.17 0.00 0.00 0.00 0.00 51.96 53.37 3fif s ALA 8 Cb 0.00 -2.02 -0.10 0.00 0.00 0.00 0.00 23.12 21.01 3fif s ALA 8 CO 0.00 -1.30 0.87 0.95 0.00 0.00 0.00 175.76 176.27 3fif s THR 9 N 2.77 4.54 0.58 0.00 -4.23 0.01 -0.19 115.64 119.12 3fif s THR 9 Ca 0.18 1.19 0.27 0.00 -1.18 0.00 0.00 61.69 62.16 3fif s THR 9 Cb -0.15 -3.63 0.34 0.00 1.34 0.00 0.00 72.50 70.40 3fif s THR 9 CO -0.19 -0.34 2.21 0.11 -0.54 0.00 0.00 174.62 175.87 3fif h LYS 10 N 1.84 0.00 -0.76 3.99 1.57 -1.32 -2.01 116.57 119.89 3fif h LYS 10 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3fif h LYS 10 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3fif h LYS 10 CO 0.63 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.11 3fif n ASP 11 N -3.96 3.26 -0.09 0.86 5.68 -1.26 -4.90 116.55 116.13 3fif n ASP 11 Ca -0.02 -2.43 0.00 0.00 -0.50 0.00 0.00 54.79 51.84 3fif n ASP 11 Cb 0.13 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.55 3fif n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fif n GLY 12 N 0.37 0.79 0.00 6.12 0.00 -0.76 -5.27 105.19 106.44 3fif n GLY 12 Ca 0.14 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3fif n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fif n ARG 13 N -0.85 3.84 0.00 1.61 1.74 -1.23 -4.96 116.66 116.81 3fif n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3fif n ARG 13 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 3fif n ARG 13 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3fif n ILE 15 N 0.00 0.00 -2.37 0.55 5.41 -1.26 -0.81 119.36 120.88 3fif n ILE 15 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 3fif n ILE 15 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 3fif n ILE 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3fif s LEU 16 N 0.00 3.94 0.03 1.39 1.98 -1.26 -4.42 118.68 120.34 3fif s LEU 16 Ca 0.00 2.15 -0.24 0.00 -2.89 0.00 0.00 54.13 53.15 3fif s LEU 16 Cb 0.00 -4.38 0.06 0.00 0.66 0.00 0.00 46.19 42.53 3fif s LEU 16 CO 0.00 -0.88 0.55 0.28 -1.89 0.00 0.00 176.35 174.41 3fif s THR 17 N -1.71 0.02 -0.42 3.68 -1.32 -0.87 -4.18 115.64 110.85 3fif s THR 17 Ca 0.65 -0.18 -0.27 0.00 -1.21 0.00 0.00 61.69 60.68 3fif s THR 17 Cb -0.24 -0.97 0.02 0.00 -1.51 0.00 0.00 72.50 69.81 3fif s THR 17 CO 0.28 -0.10 1.01 1.51 -2.21 0.00 0.00 174.62 175.12 3fif s ASP 18 N -1.84 6.66 0.02 8.08 3.84 -1.26 -3.57 116.67 128.60 3fif s ASP 18 Ca -0.06 0.50 0.00 0.00 -0.00 0.00 0.00 52.55 52.99 3fif s ASP 18 Cb -0.01 -2.50 0.00 0.00 -1.38 0.00 0.00 42.92 39.03 3fif s ASP 18 CO 0.00 -1.03 0.00 0.61 -0.00 0.00 0.00 175.17 174.75 3fif n GLY 19 N 4.59 -2.44 3.64 2.12 0.00 -1.26 -4.80 105.19 107.04 3fif n GLY 19 Ca 0.09 -1.45 -0.58 0.00 0.00 0.00 0.00 46.02 44.07 3fif n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fif n LYS 20 N -2.21 0.69 -2.41 1.61 3.00 -1.26 -4.72 118.16 112.87 3fif n LYS 20 Ca -0.00 0.25 -0.41 0.00 -0.00 0.00 0.00 58.31 58.14 3fif n LYS 20 Cb 0.02 -1.85 -0.03 0.00 0.00 0.00 0.00 35.03 33.17 3fif n LYS 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3fif s PRO 21 N 1.81 4.49 -0.40 1.64 0.04 -1.26 -4.97 135.00 136.35 3fif s PRO 21 Ca 0.94 1.83 -0.18 0.00 0.04 0.00 0.00 61.00 63.63 3fif s PRO 21 Cb -1.16 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 30.12 3fif s PRO 21 CO 0.62 -0.10 0.47 -2.00 0.04 0.00 0.00 177.00 176.03 3fif s GLU 22 N 0.03 3.30 -0.37 4.56 -6.30 -0.65 -4.90 118.70 114.36 3fif s GLU 22 Ca 0.54 -0.53 -0.17 0.00 -2.50 0.00 0.00 54.97 52.31 3fif s GLU 22 Cb -0.31 -3.91 0.00 0.00 0.00 0.00 0.00 34.13 29.91 3fif s GLU 22 CO 0.35 -0.79 0.43 0.42 0.02 0.00 0.00 175.26 175.69 3fif s ILE 23 N 2.28 5.09 -0.70 -3.70 1.01 -1.26 -0.50 121.20 123.42 3fif s ILE 23 Ca 0.15 0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.63 3fif s ILE 23 Cb -0.16 -3.93 0.12 0.00 0.01 0.00 0.00 42.46 38.50 3fif s ILE 23 CO 0.14 -0.24 0.81 -0.62 0.00 0.00 0.00 174.94 175.04 3fif s ASP 24 N 1.77 6.36 0.49 3.58 -1.08 -0.37 -4.90 116.67 122.51 3fif s ASP 24 Ca 0.14 -1.72 0.24 0.00 -0.52 0.00 0.00 52.55 50.69 3fif s ASP 24 Cb -0.16 -2.31 1.28 0.00 -1.46 0.00 0.00 42.92 40.26 3fif s ASP 24 CO 0.13 -1.04 2.02 0.44 0.52 0.00 0.00 175.17 177.23 3fif h ASP 25 N 8.93 0.00 1.70 -0.34 3.45 -1.96 0.42 116.42 128.63 3fif h ASP 25 Ca -0.15 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.30 3fif h ASP 25 Cb 1.07 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.83 3fif h ASP 25 CO 1.05 0.16 -0.06 0.44 -1.57 0.00 0.00 179.24 179.26 3fif h ASP 26 N 0.00 0.00 0.00 6.45 3.45 -1.97 -3.32 116.42 121.03 3fif h ASP 26 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3fif h ASP 26 Cb 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3fif h ASP 26 CO 0.02 0.06 0.00 0.35 -1.57 0.00 0.00 179.24 178.11 3fif n THR 27 N -3.13 0.00 -3.03 0.35 -2.24 -1.08 -5.04 114.28 100.12 3fif n THR 27 Ca 0.03 -0.46 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 3fif n THR 27 Cb 0.50 1.02 0.04 0.00 -2.10 0.00 0.00 70.33 69.79 3fif n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fif n GLY 28 N 0.70 -0.00 2.83 3.38 0.00 0.14 -5.04 105.19 107.21 3fif n GLY 28 Ca 0.00 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 3fif n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fif s LEU 29 N -4.71 0.96 -0.15 0.99 1.43 -1.00 -2.55 118.68 113.66 3fif s LEU 29 Ca 0.30 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.14 3fif s LEU 29 Cb -0.13 -0.48 -0.05 0.00 0.03 0.00 0.00 46.19 45.56 3fif s LEU 29 CO 0.38 -0.13 0.33 0.68 0.23 0.00 0.00 176.35 177.83 3fif s VAL 30 N 1.50 5.28 0.05 -1.59 -7.23 -0.88 -1.24 120.40 116.30 3fif s VAL 30 Ca -0.02 0.62 0.05 0.00 -1.81 0.00 0.00 61.98 60.82 3fif s VAL 30 Cb -0.13 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 3fif s VAL 30 CO -0.03 0.38 -0.08 -0.44 -0.31 0.00 0.00 175.10 174.63 3fif s SER 31 N 0.45 4.55 0.05 4.85 0.01 0.35 -2.21 113.70 121.74 3fif s SER 31 Ca 0.18 -0.25 -0.02 0.00 1.31 0.00 0.00 55.95 57.17 3fif s SER 31 Cb -0.13 -0.98 0.01 0.00 0.21 0.00 0.00 66.02 65.12 3fif s SER 31 CO 0.05 0.23 0.10 0.00 0.41 0.00 0.00 173.24 174.03 3fif n TYR 32 N 1.11 -1.16 -4.41 2.43 4.11 -1.26 -1.64 117.16 116.33 3fif n TYR 32 Ca -0.14 -0.24 -0.19 0.00 -0.00 0.00 0.00 57.90 57.33 3fif n TYR 32 Cb 0.52 0.12 -0.14 0.00 -0.00 0.00 0.00 39.34 39.84 3fif n TYR 32 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 3fif s HIS 33 N -8.09 1.01 0.95 -3.48 3.76 -1.26 -3.83 115.29 104.35 3fif s HIS 33 Ca 0.02 -0.24 -0.12 0.00 -0.15 0.00 0.00 55.06 54.57 3fif s HIS 33 Cb -0.01 -0.63 0.05 0.00 1.11 0.00 0.00 32.58 33.10 3fif s HIS 33 CO 0.02 -0.01 0.47 -3.47 -0.85 0.00 0.00 174.74 170.90 3fif n ASP 34 N 2.52 -1.87 0.00 1.40 2.03 -1.26 -4.14 116.55 115.24 3fif n ASP 34 Ca -0.15 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.49 3fif n ASP 34 Cb 0.56 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 3fif n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fif n GLN 35 N -1.95 0.00 -1.23 -0.67 1.13 -1.26 -4.66 117.38 108.74 3fif n GLN 35 Ca 0.07 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.81 3fif n GLN 35 Cb 0.53 0.00 0.10 0.00 0.11 0.00 0.00 30.24 30.99 3fif n GLN 35 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 3fif s GLN 36 N 0.00 1.98 0.00 -1.09 0.00 -1.26 -5.10 119.66 114.19 3fif s GLN 36 Ca 0.00 1.45 0.00 0.00 -0.00 0.00 0.00 55.36 56.81 3fif s GLN 36 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 33.01 31.17 3fif s GLN 36 CO 0.00 -1.90 0.00 0.41 0.00 0.00 0.00 175.29 173.80 3fif n GLY 37 N -0.32 2.22 2.60 2.60 0.00 -1.26 -5.06 105.19 105.96 3fif n GLY 37 Ca 0.11 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 3fif n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fif n ALA 39 N 0.00 -1.54 0.00 4.61 0.00 -1.25 -5.33 120.51 116.99 3fif n ALA 39 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3fif n ALA 39 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 16.61 3fif n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fif n GLN 41 N -2.82 0.00 -4.21 0.00 10.64 -1.26 -4.85 117.38 114.88 3fif n GLN 41 Ca -0.12 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.87 3fif n GLN 41 Cb 0.59 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.85 3fif n GLN 41 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 3fif s ILE 42 N -1.00 1.02 -0.07 -0.39 2.07 -0.94 -5.03 121.20 116.86 3fif s ILE 42 Ca 0.00 -1.15 -0.30 0.00 -1.41 0.00 0.00 60.65 57.79 3fif s ILE 42 Cb 0.00 -0.97 -0.05 0.00 0.13 0.00 0.00 42.46 41.57 3fif s ILE 42 CO 0.00 -0.16 1.51 0.20 -1.91 0.00 0.00 174.94 174.58 3fif s ASN 43 N -1.49 6.77 0.58 4.50 0.02 -1.26 -2.06 114.94 122.00 3fif s ASN 43 Ca -0.02 2.09 0.37 0.00 -1.02 0.00 0.00 52.86 54.27 3fif s ASN 43 Cb -0.09 -2.54 1.32 0.00 0.02 0.00 0.00 41.25 39.96 3fif s ASN 43 CO 0.02 -0.85 1.49 -0.09 0.02 0.00 0.00 177.10 177.69 3fif h ARG 44 N 8.87 0.00 0.00 -0.60 2.43 -1.84 1.25 114.38 124.49 3fif h ARG 44 Ca -0.36 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.73 3fif h ARG 44 Cb 1.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3fif h ARG 44 CO 0.95 0.00 -0.39 0.22 -1.51 0.00 0.00 179.97 179.24 3fif h ASP 45 N 0.00 0.00 -0.03 -3.80 -0.00 -1.90 -2.63 116.42 108.06 3fif h ASP 45 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.68 3fif h ASP 45 Cb 3.07 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 42.40 3fif h ASP 45 CO -0.01 0.39 0.00 0.47 -0.00 0.00 0.00 179.24 180.09 3fif n ASP 46 N -3.86 2.17 -4.52 2.28 8.00 0.43 -4.85 116.55 116.19 3fif n ASP 46 Ca -0.01 -1.72 -0.38 0.00 0.71 0.00 0.00 54.79 53.38 3fif n ASP 46 Cb 0.45 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.43 3fif n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fif s VAL 47 N -1.98 4.93 -0.21 2.53 1.01 -0.99 -0.85 120.40 124.83 3fif s VAL 47 Ca 0.34 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.28 3fif s VAL 47 Cb 0.21 -3.40 -0.21 0.00 0.00 0.00 0.00 36.38 32.97 3fif s VAL 47 CO 0.32 0.19 -0.01 -1.54 0.00 0.00 0.00 175.10 174.06 3fif n SER 48 N 5.02 1.44 -3.80 3.32 3.41 0.73 -4.82 113.62 118.91 3fif n SER 48 Ca -0.14 -0.02 -0.13 0.00 -0.26 0.00 0.00 58.87 58.33 3fif n SER 48 Cb 0.51 -0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 3fif n SER 48 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3fif s GLN 49 N -2.52 0.36 -0.23 4.33 -0.21 -0.49 -4.99 119.66 115.91 3fif s GLN 49 Ca -0.25 0.16 -0.01 0.00 0.02 0.00 0.00 55.36 55.28 3fif s GLN 49 Cb 0.08 0.17 0.02 0.00 1.00 0.00 0.00 33.01 34.28 3fif s GLN 49 CO 0.70 -0.07 -0.10 0.42 -2.12 0.00 0.00 175.29 174.13 3fif s ILE 50 N -0.29 2.70 -0.26 1.08 1.01 -1.26 0.60 121.20 124.78 3fif s ILE 50 Ca -0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 3fif s ILE 50 Cb -0.03 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3fif s ILE 50 CO 0.01 0.31 0.14 -0.63 0.00 0.00 0.00 174.94 174.76 3fif s ILE 51 N 1.33 4.95 -0.41 2.92 1.01 0.13 -4.97 121.20 126.16 3fif s ILE 51 Ca 0.02 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.58 3fif s ILE 51 Cb -0.16 -3.33 0.04 0.00 0.01 0.00 0.00 42.46 39.03 3fif s ILE 51 CO -0.06 0.31 0.28 -0.70 0.00 0.00 0.00 174.94 174.76 3fif s GLU 52 N 1.49 2.86 -0.41 2.79 2.12 -1.26 -0.67 118.70 125.62 3fif s GLU 52 Ca 0.06 -1.18 -0.22 0.00 0.36 0.00 0.00 54.97 54.00 3fif s GLU 52 Cb -0.15 -3.89 0.02 0.00 0.26 0.00 0.00 34.13 30.37 3fif s GLU 52 CO 0.07 -0.82 0.72 1.03 -0.54 0.00 0.00 175.26 175.71 3fif s ARG 53 N 1.59 3.50 0.34 4.30 0.52 0.59 -4.94 118.95 124.85 3fif s ARG 53 Ca 0.03 -0.06 -0.27 0.00 -0.52 0.00 0.00 55.73 54.91 3fif s ARG 53 Cb -0.21 -3.89 -0.09 0.00 0.52 0.00 0.00 34.95 31.28 3fif s ARG 53 CO 0.07 -0.96 1.08 -0.51 0.02 0.00 0.00 175.30 175.00 3fif s LEU 54 N 3.01 4.35 -0.18 2.53 1.43 -1.26 -1.19 118.68 127.37 3fif s LEU 54 Ca 0.27 2.17 -0.10 0.00 -1.03 0.00 0.00 54.13 55.44 3fif s LEU 54 Cb -0.13 -3.90 -0.05 0.00 0.03 0.00 0.00 46.19 42.14 3fif s LEU 54 CO 0.19 -0.33 0.15 -1.83 0.23 0.00 0.00 176.35 174.76 3fif s GLU 55 N -1.96 4.07 -0.05 1.70 -1.05 -1.26 -4.93 118.70 115.22 3fif s GLU 55 Ca 0.51 -0.17 0.02 0.00 -0.15 0.00 0.00 54.97 55.18 3fif s GLU 55 Cb -0.27 -3.38 -0.03 0.00 -0.44 0.00 0.00 34.13 30.01 3fif s GLU 55 CO 0.35 0.38 -0.08 -1.01 0.95 0.00 0.00 175.26 175.85 3fif s HIS 56 N 0.13 2.90 -2.27 4.83 3.76 -1.26 -4.83 115.29 118.55 3fif s HIS 56 Ca 0.10 -0.01 0.30 0.00 -0.15 0.00 0.00 55.06 55.30 3fif s HIS 56 Cb -0.11 -1.67 1.45 0.00 1.11 0.00 0.00 32.58 33.35 3fif s HIS 56 CO -0.00 0.33 1.97 0.72 -0.85 0.00 0.00 174.74 176.90