#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fif s ASP 4 N 0.00 3.17 0.15 4.04 -0.00 -1.11 -4.86 116.67 118.06 3fif s ASP 4 Ca 0.00 -1.07 -0.11 0.00 -0.00 0.00 0.00 52.55 51.38 3fif s ASP 4 Cb 0.00 -0.47 -0.07 0.00 -0.00 0.00 0.00 42.92 42.38 3fif s ASP 4 CO 0.00 -0.38 0.49 -0.31 -0.00 0.00 0.00 175.17 174.97 3fif s TYR 5 N 1.97 3.53 0.00 4.23 1.51 -1.26 -0.77 117.35 126.56 3fif s TYR 5 Ca 0.05 0.87 0.00 0.00 -1.01 0.00 0.00 57.07 56.98 3fif s TYR 5 Cb -0.16 -2.23 0.00 0.00 -0.11 0.00 0.00 41.96 39.45 3fif s TYR 5 CO -0.21 0.41 0.00 0.28 -1.11 0.00 0.00 175.55 174.92 3fif n VAL 6 N 0.47 0.00 -3.67 0.71 0.31 0.41 -2.89 118.33 113.66 3fif n VAL 6 Ca -0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.18 3fif n VAL 6 Cb 0.52 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.37 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 -1.46 0.04 3.52 0.00 0.09 -0.20 121.76 121.75 3fif s ALA 8 Ca 0.00 1.82 0.03 0.00 0.00 0.00 0.00 51.96 53.81 3fif s ALA 8 Cb 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 3fif s ALA 8 CO 0.00 -0.30 0.01 0.95 0.00 0.00 0.00 175.76 176.42 3fif s THR 9 N 0.91 4.15 0.56 0.00 -4.23 -0.60 -1.07 115.64 115.36 3fif s THR 9 Ca -0.05 -0.76 0.28 0.00 -1.18 0.00 0.00 61.69 59.99 3fif s THR 9 Cb -0.05 -2.91 0.40 0.00 1.34 0.00 0.00 72.50 71.28 3fif s THR 9 CO -0.08 0.26 1.94 0.50 -0.54 0.00 0.00 174.62 176.70 3fif h LYS 10 N 3.90 0.00 -0.80 3.99 3.64 -1.54 0.70 116.57 126.46 3fif h LYS 10 Ca -0.48 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 3fif h LYS 10 Cb 1.17 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 3fif h LYS 10 CO 0.59 0.00 0.09 -0.40 -2.27 0.00 0.00 179.45 177.46 3fif n ASP 11 N -4.00 3.85 0.00 4.20 3.85 -1.26 -4.92 116.55 118.26 3fif n ASP 11 Ca 0.10 -2.67 0.00 0.00 -0.71 0.00 0.00 54.79 51.51 3fif n ASP 11 Cb 0.67 -0.64 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 3fif n ASP 11 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fif n GLY 12 N 0.19 2.70 0.00 6.12 0.00 0.24 -5.23 105.19 109.21 3fif n GLY 12 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 2.28 0.00 1.61 1.74 -1.26 -4.70 116.66 116.33 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 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 -0.36 0.00 -2.31 0.55 5.41 -1.26 -1.56 119.36 119.83 3fif n ILE 15 Ca 0.00 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 3fif n ILE 15 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 3fif n ILE 15 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3fif s LEU 16 N 0.00 3.57 0.27 1.39 1.43 -1.26 -4.55 118.68 119.53 3fif s LEU 16 Ca 0.00 1.58 -0.04 0.00 -1.03 0.00 0.00 54.13 54.64 3fif s LEU 16 Cb 0.00 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.70 3fif s LEU 16 CO 0.00 -0.68 0.34 0.28 0.23 0.00 0.00 176.35 176.53 3fif s THR 17 N -2.66 0.00 -0.30 5.49 -1.32 -1.14 -4.78 115.64 110.92 3fif s THR 17 Ca 0.59 -1.72 0.03 0.00 -1.21 0.00 0.00 61.69 59.38 3fif s THR 17 Cb -0.11 -2.46 0.08 0.00 -1.51 0.00 0.00 72.50 68.51 3fif s THR 17 CO 0.34 0.00 -0.00 -0.62 -2.21 0.00 0.00 174.62 172.13 3fif s ASP 18 N -3.17 4.47 0.00 8.08 -1.08 -0.53 -4.56 116.67 119.88 3fif s ASP 18 Ca 0.32 -1.76 0.00 0.00 -0.52 0.00 0.00 52.55 50.60 3fif s ASP 18 Cb 0.02 -1.46 0.00 0.00 -1.46 0.00 0.00 42.92 40.03 3fif s ASP 18 CO 0.15 -0.31 0.00 0.61 0.52 0.00 0.00 175.17 176.14 3fif n GLY 19 N 4.43 0.73 3.68 2.66 0.00 -1.26 -4.29 105.19 111.13 3fif n GLY 19 Ca -0.04 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 3fif n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fif s LYS 20 N -1.68 4.34 1.21 1.61 2.20 -1.26 -4.51 119.74 121.64 3fif s LYS 20 Ca 0.00 1.14 -0.13 0.00 -0.36 0.00 0.00 55.97 56.61 3fif s LYS 20 Cb 0.00 -3.56 0.30 0.00 -1.51 0.00 0.00 37.83 33.06 3fif s LYS 20 CO 0.00 -0.32 0.97 -2.30 -0.36 0.00 0.00 175.35 173.34 3fif n PRO 21 N 5.14 -2.69 -3.87 4.03 -0.02 -1.26 -4.96 135.00 131.37 3fif n PRO 21 Ca 0.06 -0.76 -0.27 0.00 -2.02 0.00 0.00 63.50 60.51 3fif n PRO 21 Cb 0.49 -2.13 -0.17 0.00 -0.02 0.00 0.00 33.50 31.67 3fif n PRO 21 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3fif s GLU 22 N -4.34 1.28 -0.52 -0.52 2.12 0.01 -4.94 118.70 111.79 3fif s GLU 22 Ca 0.68 -0.31 -0.21 0.00 0.36 0.00 0.00 54.97 55.49 3fif s GLU 22 Cb -0.25 -1.70 0.05 0.00 0.26 0.00 0.00 34.13 32.49 3fif s GLU 22 CO 0.66 -0.37 0.74 0.42 -0.54 0.00 0.00 175.26 176.17 3fif s ILE 23 N 1.73 4.70 -0.44 -3.70 1.01 -1.26 -0.94 121.20 122.30 3fif s ILE 23 Ca 0.03 -0.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 3fif s ILE 23 Cb -0.14 -4.39 0.03 0.00 0.01 0.00 0.00 42.46 37.97 3fif s ILE 23 CO -0.08 -0.92 0.51 -0.62 0.00 0.00 0.00 174.94 173.83 3fif s ASP 24 N 2.76 6.23 0.08 3.58 3.68 -0.52 -4.89 116.67 127.59 3fif s ASP 24 Ca 0.20 -0.63 0.26 0.00 2.13 0.00 0.00 52.55 54.51 3fif s ASP 24 Cb -0.17 -2.26 1.02 0.00 -1.45 0.00 0.00 42.92 40.06 3fif s ASP 24 CO 0.14 -0.67 1.81 0.47 0.13 0.00 0.00 175.17 177.05 3fif n ASP 25 N 5.83 0.28 0.14 -0.34 10.43 -1.26 -0.61 116.55 131.02 3fif n ASP 25 Ca -0.06 0.53 0.07 0.00 2.57 0.00 0.00 54.79 57.90 3fif n ASP 25 Cb 0.47 -0.61 0.05 0.00 1.84 0.00 0.00 41.12 42.87 3fif n ASP 25 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3fif h ASP 26 N 0.00 0.00 0.00 -2.24 3.32 -1.95 -3.36 116.42 112.19 3fif h ASP 26 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fif h ASP 26 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3fif h ASP 26 CO 0.00 0.27 -1.24 0.35 -1.72 0.00 0.00 179.24 176.91 3fif n THR 27 N -3.05 0.00 -2.85 0.35 -2.24 -1.16 -5.02 114.28 100.31 3fif n THR 27 Ca 0.01 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 3fif n THR 27 Cb 0.66 0.38 0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 2.17 0.27 2.94 3.38 0.00 0.22 -5.03 105.19 109.15 3fif n GLY 28 Ca -0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.68 2.07 -0.23 0.99 1.43 -1.06 -2.65 118.68 115.55 3fif s LEU 29 Ca 0.18 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 3fif s LEU 29 Cb -0.08 -0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.04 3fif s LEU 29 CO 0.30 -0.06 0.03 -0.69 0.23 0.00 0.00 176.35 176.17 3fif s VAL 30 N -0.45 4.09 -0.01 -1.59 1.01 0.24 -1.43 120.40 122.25 3fif s VAL 30 Ca -0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 3fif s VAL 30 Cb -0.04 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 3fif s VAL 30 CO -0.00 0.38 0.27 -0.44 0.00 0.00 0.00 175.10 175.31 3fif s SER 31 N 1.37 6.53 0.16 3.32 0.01 -0.12 -1.15 113.70 123.82 3fif s SER 31 Ca 0.05 0.62 -0.24 0.00 1.31 0.00 0.00 55.95 57.68 3fif s SER 31 Cb -0.15 -2.11 0.06 0.00 0.21 0.00 0.00 66.02 64.03 3fif s SER 31 CO 0.02 0.29 0.78 -0.72 0.41 0.00 0.00 173.24 174.01 3fif s TYR 32 N -1.23 -0.30 -0.09 2.43 -0.85 -1.26 -0.80 117.35 115.24 3fif s TYR 32 Ca 0.25 0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.81 3fif s TYR 32 Cb -0.14 0.62 -0.03 0.00 0.38 0.00 0.00 41.96 42.80 3fif s TYR 32 CO 0.14 -0.90 -0.09 -1.01 -1.52 0.00 0.00 175.55 172.17 3fif s HIS 33 N -3.57 2.89 0.00 -3.49 3.76 -1.26 -4.23 115.29 109.39 3fif s HIS 33 Ca 0.07 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 3fif s HIS 33 Cb -0.03 -1.77 0.00 0.00 1.11 0.00 0.00 32.58 31.90 3fif s HIS 33 CO -0.03 0.13 0.00 -0.40 -0.85 0.00 0.00 174.74 173.60 3fif n ASP 34 N 2.73 0.00 -0.01 1.40 5.68 -0.88 -1.46 116.55 124.01 3fif n ASP 34 Ca -0.18 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.04 3fif n ASP 34 Cb 0.53 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.38 3fif n ASP 34 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3fif h GLN 35 N 0.00 0.00 -1.02 0.11 1.08 -1.90 -3.34 115.11 110.04 3fif h GLN 35 Ca 0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 3fif h GLN 35 Cb 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.26 3fif h GLN 35 CO 0.00 0.49 0.37 1.04 -0.95 0.00 0.00 178.83 179.77 3fif n GLN 36 N -3.04 1.69 -3.59 1.46 3.00 -1.26 -4.87 117.38 110.77 3fif n GLN 36 Ca -0.15 -1.65 -0.23 0.00 -0.01 0.00 0.00 57.00 54.96 3fif n GLN 36 Cb 1.02 -1.65 0.05 0.00 0.00 0.00 0.00 30.24 29.66 3fif n GLN 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3fif n GLY 37 N -0.37 -0.69 3.11 1.08 0.00 -1.26 -5.00 105.19 102.07 3fif n GLY 37 Ca 0.33 0.32 -0.32 0.00 0.00 0.00 0.00 46.02 46.35 3fif n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fif s ASN 38 N -3.89 3.01 0.54 1.61 -0.87 -1.26 -4.97 114.94 109.09 3fif s ASN 38 Ca 0.24 -0.60 -0.17 0.00 -1.57 0.00 0.00 52.86 50.76 3fif s ASN 38 Cb -0.06 -1.40 -0.06 0.00 -0.02 0.00 0.00 41.25 39.71 3fif s ASN 38 CO 0.81 0.01 1.02 0.00 -2.57 0.00 0.00 177.10 176.37 3fif s ALA 39 N 1.18 2.90 -0.29 0.60 0.00 -1.26 -2.08 121.76 122.81 3fif s ALA 39 Ca 0.01 0.36 -0.23 0.00 0.00 0.00 0.00 51.96 52.10 3fif s ALA 39 Cb -0.14 -3.19 0.16 0.00 0.00 0.00 0.00 23.12 19.95 3fif s ALA 39 CO -0.09 -0.46 1.18 -0.65 0.00 0.00 0.00 175.76 175.74 3fif s GLN 41 N -3.86 0.29 -0.00 0.00 -0.21 -1.26 -4.98 119.66 109.63 3fif s GLN 41 Ca 0.62 0.38 0.01 0.00 0.02 0.00 0.00 55.36 56.40 3fif s GLN 41 Cb -0.13 0.12 -0.00 0.00 1.00 0.00 0.00 33.01 34.00 3fif s GLN 41 CO 0.30 -0.04 -0.03 -1.50 -2.12 0.00 0.00 175.29 171.90 3fif s ILE 42 N 0.43 0.25 -0.00 1.08 2.07 -0.30 -4.96 121.20 119.76 3fif s ILE 42 Ca 0.01 -0.13 -0.33 0.00 -1.41 0.00 0.00 60.65 58.79 3fif s ILE 42 Cb -0.04 -0.22 -0.12 0.00 0.13 0.00 0.00 42.46 42.20 3fif s ILE 42 CO -0.11 0.08 1.82 0.59 -1.91 0.00 0.00 174.94 175.41 3fif n ASN 43 N 3.06 3.51 -0.32 4.50 5.03 -1.26 -0.59 115.26 129.18 3fif n ASN 43 Ca -0.13 0.99 0.18 0.00 0.87 0.00 0.00 54.58 56.49 3fif n ASN 43 Cb 0.58 -1.41 0.39 0.00 -1.02 0.00 0.00 39.78 38.31 3fif n ASN 43 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 3fif h ARG 44 N 8.61 0.33 -0.87 3.52 2.43 -1.81 0.25 114.38 126.84 3fif h ARG 44 Ca -0.48 -0.02 0.16 0.00 -0.81 0.00 0.00 59.98 58.83 3fif h ARG 44 Cb 1.26 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.67 3fif h ARG 44 CO 0.93 0.22 0.57 0.22 -1.51 0.00 0.00 179.97 180.40 3fif h ASP 45 N 0.34 0.55 -0.10 -3.80 3.58 -1.88 0.24 116.42 115.34 3fif h ASP 45 Ca 0.65 0.04 0.00 0.00 0.42 0.00 0.00 57.03 58.13 3fif h ASP 45 Cb 1.36 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.35 3fif h ASP 45 CO -0.59 0.26 0.00 0.47 -2.88 0.00 0.00 179.24 176.50 3fif n ASP 46 N -4.54 0.78 -4.55 2.28 8.00 0.86 -4.77 116.55 114.62 3fif n ASP 46 Ca 0.17 -1.70 -0.34 0.00 0.71 0.00 0.00 54.79 53.63 3fif n ASP 46 Cb 0.54 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.87 3.98 -0.04 2.53 1.01 0.84 -1.45 120.40 125.40 3fif s VAL 47 Ca 0.23 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.95 3fif s VAL 47 Cb 0.12 -2.72 -0.11 0.00 0.00 0.00 0.00 36.38 33.67 3fif s VAL 47 CO 0.18 0.52 0.11 -1.54 0.00 0.00 0.00 175.10 174.37 3fif n SER 48 N 3.12 3.10 -3.73 3.32 3.41 -0.23 -4.73 113.62 117.88 3fif n SER 48 Ca -0.18 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.30 3fif n SER 48 Cb 0.53 1.06 -0.10 0.00 -0.26 0.00 0.00 64.21 65.44 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 -2.39 0.52 -0.27 4.33 -0.21 -1.11 -5.01 119.66 115.52 3fif s GLN 49 Ca -0.03 0.53 -0.04 0.00 0.02 0.00 0.00 55.36 55.84 3fif s GLN 49 Cb 0.04 0.25 0.02 0.00 1.00 0.00 0.00 33.01 34.32 3fif s GLN 49 CO 0.33 -0.07 0.01 0.42 -2.12 0.00 0.00 175.29 173.86 3fif s ILE 50 N 0.09 3.40 -0.26 1.08 -1.09 -1.26 -0.73 121.20 122.43 3fif s ILE 50 Ca -0.01 -0.88 -0.08 0.00 -2.23 0.00 0.00 60.65 57.46 3fif s ILE 50 Cb -0.03 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 38.08 3fif s ILE 50 CO 0.01 0.13 0.08 -0.63 -1.23 0.00 0.00 174.94 173.30 3fif s ILE 51 N 1.41 4.31 -0.26 2.92 1.01 0.73 -4.98 121.20 126.33 3fif s ILE 51 Ca 0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 3fif s ILE 51 Cb -0.17 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 3fif s ILE 51 CO -0.01 0.29 0.18 -0.70 0.00 0.00 0.00 174.94 174.69 3fif s GLU 52 N 1.61 4.00 -0.44 2.79 2.12 -1.26 -0.45 118.70 127.06 3fif s GLU 52 Ca 0.06 -0.30 -0.14 0.00 0.36 0.00 0.00 54.97 54.95 3fif s GLU 52 Cb -0.15 -3.60 0.06 0.00 0.26 0.00 0.00 34.13 30.69 3fif s GLU 52 CO 0.04 -0.07 0.34 1.03 -0.54 0.00 0.00 175.26 176.05 3fif s ARG 53 N 1.45 2.90 0.49 4.30 0.52 0.05 -4.88 118.95 123.78 3fif s ARG 53 Ca 0.07 -1.28 -0.23 0.00 -0.52 0.00 0.00 55.73 53.77 3fif s ARG 53 Cb -0.15 -4.01 -0.07 0.00 0.52 0.00 0.00 34.95 31.24 3fif s ARG 53 CO 0.08 -0.93 1.34 -0.51 0.02 0.00 0.00 175.30 175.30 3fif s LEU 54 N 1.61 4.00 -0.03 2.53 1.02 -1.26 -2.56 118.68 123.99 3fif s LEU 54 Ca 0.04 2.72 -0.04 0.00 0.02 0.00 0.00 54.13 56.87 3fif s LEU 54 Cb -0.23 -4.12 -0.04 0.00 0.02 0.00 0.00 46.19 41.82 3fif s LEU 54 CO 0.07 -1.26 0.19 -0.70 0.02 0.00 0.00 176.35 174.66 3fif s GLU 55 N -2.65 3.46 -0.01 1.70 2.12 -1.26 -4.82 118.70 117.24 3fif s GLU 55 Ca 0.65 -0.25 0.04 0.00 0.36 0.00 0.00 54.97 55.77 3fif s GLU 55 Cb -0.39 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 3fif s GLU 55 CO 0.48 0.69 -0.13 -1.01 -0.54 0.00 0.00 175.26 174.75 3fif s HIS 56 N -1.27 1.18 -2.38 5.30 3.76 -1.26 -5.01 115.29 115.62 3fif s HIS 56 Ca 0.25 -0.23 0.29 0.00 -0.15 0.00 0.00 55.06 55.22 3fif s HIS 56 Cb -0.13 -0.77 1.26 0.00 1.11 0.00 0.00 32.58 34.06 3fif s HIS 56 CO 0.16 -0.03 1.86 0.72 -0.85 0.00 0.00 174.74 176.60