#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsx n ASP 2 N 0.00 4.01 -4.78 7.83 10.43 -1.26 -4.62 116.55 128.17 2dsx n ASP 2 Ca 0.00 1.03 -0.39 0.00 2.57 0.00 0.00 54.79 58.00 2dsx n ASP 2 Cb 0.00 -1.56 -0.06 0.00 1.84 0.00 0.00 41.12 41.34 2dsx n ASP 2 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2dsx s ILE 3 N 1.77 4.77 0.15 0.53 1.01 -1.26 -4.53 121.20 123.63 2dsx s ILE 3 Ca 0.78 1.32 0.10 0.00 0.00 0.00 0.00 60.65 62.84 2dsx s ILE 3 Cb -0.50 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 2dsx s ILE 3 CO 0.34 0.48 -0.18 -0.31 0.00 0.00 0.00 174.94 175.26 2dsx s TYR 4 N -0.63 2.48 -0.03 3.97 2.02 -0.86 -0.52 117.35 123.78 2dsx s TYR 4 Ca 0.31 -0.29 0.04 0.00 -0.37 0.00 0.00 57.07 56.77 2dsx s TYR 4 Cb -0.19 -1.28 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 2dsx s TYR 4 CO 0.19 0.43 -0.16 0.08 -1.57 0.00 0.00 175.55 174.53 2dsx s VAL 5 N -1.35 1.28 -0.12 0.71 1.01 0.65 -0.24 120.40 122.33 2dsx s VAL 5 Ca 0.19 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 2dsx s VAL 5 Cb -0.10 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2dsx s VAL 5 CO 0.11 0.37 1.47 0.00 0.00 0.00 0.00 175.10 177.04 2dsx n THR 7 N 5.50 0.81 -0.08 0.00 -2.24 -0.47 -0.67 114.28 117.13 2dsx n THR 7 Ca 0.16 0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 61.98 2dsx n THR 7 Cb 0.44 -1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 67.43 2dsx n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2dsx h VAL 8 N 0.00 1.38 0.00 2.28 2.07 -1.90 -3.43 116.25 116.64 2dsx h VAL 8 Ca 0.00 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.34 2dsx h VAL 8 Cb 0.39 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2dsx h VAL 8 CO 0.00 0.47 -0.06 0.00 0.02 0.00 0.00 177.57 178.00 2dsx n GLY 10 N 0.92 0.78 3.70 0.00 0.00 0.16 -5.02 105.19 105.73 2dsx n GLY 10 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2dsx n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2dsx n TYR 11 N -2.00 2.20 -3.80 1.61 4.19 -1.26 -4.57 117.16 113.53 2dsx n TYR 11 Ca 0.00 0.53 -0.36 0.00 3.31 0.00 0.00 57.90 61.37 2dsx n TYR 11 Cb 0.00 -2.39 -0.11 0.00 0.49 0.00 0.00 39.34 37.32 2dsx n TYR 11 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 2dsx s GLU 12 N -2.04 3.80 -0.37 2.98 2.02 -1.26 -0.51 118.70 123.32 2dsx s GLU 12 Ca 0.58 -0.41 -0.28 0.00 0.02 0.00 0.00 54.97 54.88 2dsx s GLU 12 Cb -0.54 -3.36 0.02 0.00 0.10 0.00 0.00 34.13 30.35 2dsx s GLU 12 CO 0.60 -0.06 1.04 -0.47 0.02 0.00 0.00 175.26 176.39 2dsx s TYR 13 N 1.30 3.06 -0.36 1.61 6.14 0.67 -4.98 117.35 124.79 2dsx s TYR 13 Ca 0.05 0.95 -0.05 0.00 0.64 0.00 0.00 57.07 58.66 2dsx s TYR 13 Cb -0.15 -3.83 0.06 0.00 0.42 0.00 0.00 41.96 38.47 2dsx s TYR 13 CO 0.04 -0.89 0.13 0.34 0.64 0.00 0.00 175.55 175.82 2dsx s ASP 14 N 1.89 5.28 0.56 4.32 2.15 -1.26 -2.03 116.67 127.59 2dsx s ASP 14 Ca 0.43 -1.39 0.26 0.00 0.43 0.00 0.00 52.55 52.28 2dsx s ASP 14 Cb -0.11 -1.85 1.54 0.00 -0.30 0.00 0.00 42.92 42.20 2dsx s ASP 14 CO 0.20 -0.39 2.10 -0.65 -0.17 0.00 0.00 175.17 176.26 2dsx h PRO 15 N 8.18 0.00 0.00 4.34 0.11 -1.80 0.53 132.00 143.37 2dsx h PRO 15 Ca -0.21 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 2dsx h PRO 15 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2dsx h PRO 15 CO 0.63 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 178.26 2dsx h ALA 16 N 1.83 1.37 0.00 -0.75 0.00 -1.88 0.28 119.26 120.11 2dsx h ALA 16 Ca 0.09 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 2dsx h ALA 16 Cb 0.45 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2dsx h ALA 16 CO -0.00 0.20 -1.93 1.63 0.00 0.00 0.00 179.25 179.15 2dsx n LYS 17 N -3.82 0.65 0.00 0.00 4.76 0.05 -4.03 118.16 115.77 2dsx n LYS 17 Ca -0.02 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 2dsx n LYS 17 Cb 0.26 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 2dsx n LYS 17 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dsx n GLY 18 N 1.63 0.85 2.70 0.72 0.00 -0.43 -4.05 105.19 106.62 2dsx n GLY 18 Ca -0.22 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 2dsx n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dsx n ASP 19 N -2.16 -2.93 -0.20 1.61 4.64 -0.06 -4.70 116.55 112.75 2dsx n ASP 19 Ca 0.00 -2.93 0.15 0.00 -1.38 0.00 0.00 54.79 50.63 2dsx n ASP 19 Cb 0.00 1.45 0.47 0.00 -1.04 0.00 0.00 41.12 42.01 2dsx n ASP 19 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2dsx h PRO 20 N 4.84 0.47 0.00 -0.67 0.11 -1.74 -0.77 132.00 134.24 2dsx h PRO 20 Ca 0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2dsx h PRO 20 Cb 1.07 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2dsx h PRO 20 CO 0.12 0.31 0.00 -0.44 -0.21 0.00 0.00 178.00 177.79 2dsx h ASP 21 N 0.48 0.00 -0.48 -2.05 3.45 -1.96 0.00 116.42 115.86 2dsx h ASP 21 Ca 0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 2dsx h ASP 21 Cb 0.84 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.61 2dsx h ASP 21 CO -0.14 0.00 0.00 -1.20 -1.57 0.00 0.00 179.24 176.33 2dsx n SER 22 N -3.00 4.39 -0.55 6.45 7.64 -0.36 -4.94 113.62 123.25 2dsx n SER 22 Ca -0.02 -2.62 -0.05 0.00 1.01 0.00 0.00 58.87 57.19 2dsx n SER 22 Cb 0.14 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 62.80 2dsx n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dsx n GLY 23 N 0.48 0.25 3.14 0.23 0.00 -0.01 -5.01 105.19 104.27 2dsx n GLY 23 Ca 0.23 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 2dsx n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dsx s ILE 24 N -2.24 2.96 0.59 -0.61 -1.09 -0.82 -4.99 121.20 114.99 2dsx s ILE 24 Ca 0.00 -1.69 -0.17 0.00 -2.23 0.00 0.00 60.65 56.56 2dsx s ILE 24 Cb 0.00 -2.85 -0.03 0.00 -1.58 0.00 0.00 42.46 38.00 2dsx s ILE 24 CO 0.00 -0.32 1.10 -0.54 -1.23 0.00 0.00 174.94 173.94 2dsx s LYS 25 N 1.17 3.18 0.34 2.79 1.02 -1.26 -0.88 119.74 126.10 2dsx s LYS 25 Ca 0.00 1.41 -0.28 0.00 0.02 0.00 0.00 55.97 57.12 2dsx s LYS 25 Cb -0.21 -2.00 -0.12 0.00 -0.52 0.00 0.00 37.83 34.98 2dsx s LYS 25 CO -0.03 -0.95 1.25 -2.30 -0.92 0.00 0.00 175.35 172.40 2dsx n PRO 26 N -1.86 2.01 -0.16 -1.68 -0.02 -1.26 -2.60 135.00 129.44 2dsx n PRO 26 Ca 0.10 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2dsx n PRO 26 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2dsx n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dsx n GLY 27 N 0.83 0.59 3.65 -1.23 0.00 0.96 -4.90 105.19 105.10 2dsx n GLY 27 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2dsx n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dsx s THR 28 N -2.35 4.26 0.62 2.61 2.01 -1.07 -4.90 115.64 116.82 2dsx s THR 28 Ca 0.00 1.49 -0.18 0.00 0.31 0.00 0.00 61.69 63.31 2dsx s THR 28 Cb 0.00 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 2dsx s THR 28 CO 0.00 -0.25 1.21 -0.54 -0.69 0.00 0.00 174.62 174.36 2dsx s LYS 29 N 3.70 2.81 0.27 4.92 1.02 -1.26 -4.45 119.74 126.74 2dsx s LYS 29 Ca 0.55 1.82 0.00 0.00 0.02 0.00 0.00 55.97 58.36 2dsx s LYS 29 Cb -0.20 -1.91 0.57 0.00 -0.52 0.00 0.00 37.83 35.78 2dsx s LYS 29 CO 0.17 -1.33 1.76 0.35 -0.92 0.00 0.00 175.35 175.38 2dsx h PHE 30 N 0.66 0.80 0.00 3.18 3.04 -1.94 0.33 116.94 123.00 2dsx h PHE 30 Ca -0.50 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.49 2dsx h PHE 30 Cb 1.30 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.59 2dsx h PHE 30 CO 0.46 0.17 0.00 -0.85 -2.02 0.00 0.00 178.31 176.08 2dsx n GLU 31 N -4.87 0.01 -0.04 1.11 0.00 -1.26 -1.42 120.64 114.16 2dsx n GLU 31 Ca 0.18 0.11 0.12 0.00 0.00 0.00 0.00 57.16 57.57 2dsx n GLU 31 Cb 0.47 -1.51 0.44 0.00 0.00 0.00 0.00 31.44 30.84 2dsx n GLU 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2dsx n ASP 32 N -1.52 1.62 -4.76 -1.84 8.00 0.09 -4.88 116.55 113.27 2dsx n ASP 32 Ca 0.06 -1.61 -0.41 0.00 0.71 0.00 0.00 54.79 53.53 2dsx n ASP 32 Cb 0.27 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 2dsx n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dsx s LEU 33 N -1.77 4.45 0.71 0.64 1.43 -0.51 -4.95 118.68 118.67 2dsx s LEU 33 Ca 0.35 2.51 -0.16 0.00 -1.03 0.00 0.00 54.13 55.80 2dsx s LEU 33 Cb 0.19 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.81 2dsx s LEU 33 CO 0.30 -0.45 1.24 -2.84 0.23 0.00 0.00 176.35 174.82 2dsx s PRO 34 N -1.14 2.24 0.32 1.29 0.02 -1.26 -4.89 135.00 131.59 2dsx s PRO 34 Ca 0.51 1.87 0.25 0.00 0.02 0.00 0.00 61.00 63.65 2dsx s PRO 34 Cb -0.37 -1.83 1.11 0.00 0.02 0.00 0.00 34.50 33.43 2dsx s PRO 34 CO 0.45 -1.79 1.76 0.22 -0.33 0.00 0.00 177.00 177.32 2dsx h ASP 35 N -0.04 0.00 -0.09 2.53 -0.00 -1.96 -1.35 116.42 115.50 2dsx h ASP 35 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.54 2dsx h ASP 35 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.64 2dsx h ASP 35 CO 0.51 0.00 0.00 -0.90 -0.00 0.00 0.00 179.24 178.85 2dsx n ASP 36 N -2.39 1.06 -4.77 2.28 5.75 -1.26 -4.52 116.55 112.70 2dsx n ASP 36 Ca 0.01 -1.55 -0.39 0.00 -0.01 0.00 0.00 54.79 52.85 2dsx n ASP 36 Cb 0.21 -0.05 -0.01 0.00 -1.03 0.00 0.00 41.12 40.23 2dsx n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2dsx s TRP 37 N -1.89 2.90 0.12 2.11 -0.00 -0.51 -4.93 118.94 116.74 2dsx s TRP 37 Ca 0.33 1.46 0.06 0.00 -0.00 0.00 0.00 56.10 57.95 2dsx s TRP 37 Cb 0.17 -3.58 -0.04 0.00 -0.00 0.00 0.00 33.47 30.02 2dsx s TRP 37 CO 0.27 -1.83 -0.15 0.00 -0.00 0.00 0.00 176.95 175.23 2dsx s ALA 38 N -1.30 1.57 0.12 5.86 0.00 -1.26 -1.56 121.76 125.19 2dsx s ALA 38 Ca 0.57 -1.30 -0.33 0.00 0.00 0.00 0.00 51.96 50.89 2dsx s ALA 38 Cb -0.36 -0.10 -0.13 0.00 0.00 0.00 0.00 23.12 22.53 2dsx s ALA 38 CO 0.46 0.14 1.68 0.00 0.00 0.00 0.00 175.76 178.03 2dsx h PRO 40 N 6.89 0.00 0.00 0.00 0.11 -1.96 -0.81 132.00 136.23 2dsx h PRO 40 Ca -0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 2dsx h PRO 40 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2dsx h PRO 40 CO 0.91 0.15 -0.43 0.28 -0.21 0.00 0.00 178.00 178.71 2dsx h VAL 41 N 0.00 1.46 0.00 3.15 2.07 -1.99 -3.42 116.25 117.52 2dsx h VAL 41 Ca -0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2dsx h VAL 41 Cb 0.29 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2dsx h VAL 41 CO 0.02 0.50 -0.65 0.00 0.02 0.00 0.00 177.57 177.45 2dsx n GLY 43 N 1.47 0.94 3.72 0.00 0.00 -0.31 -5.00 105.19 106.01 2dsx n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2dsx n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dsx s ALA 44 N -3.35 2.12 0.71 4.61 0.00 -1.26 -4.45 121.76 120.14 2dsx s ALA 44 Ca 0.00 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 2dsx s ALA 44 Cb 0.00 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.68 2dsx s ALA 44 CO 0.00 -1.88 1.22 0.45 0.00 0.00 0.00 175.76 175.55 2dsx s SER 45 N -2.09 4.33 0.34 0.00 0.15 -1.26 -0.41 113.70 114.77 2dsx s SER 45 Ca 0.74 2.40 0.14 0.00 0.70 0.00 0.00 55.95 59.93 2dsx s SER 45 Cb -0.28 -2.59 1.05 0.00 -1.71 0.00 0.00 66.02 62.48 2dsx s SER 45 CO 0.46 -2.17 1.69 0.50 1.20 0.00 0.00 173.24 174.91 2dsx h LYS 46 N -0.08 0.38 0.00 5.44 3.64 -1.52 -0.46 116.57 123.98 2dsx h LYS 46 Ca -0.48 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2dsx h LYS 46 Cb 1.30 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2dsx h LYS 46 CO 0.51 0.25 0.00 -0.25 -2.27 0.00 0.00 179.45 177.69 2dsx n ASP 47 N -4.96 0.00 -0.25 4.20 10.43 -1.26 -1.59 116.55 123.12 2dsx n ASP 47 Ca 0.30 -1.15 0.14 0.00 2.57 0.00 0.00 54.79 56.66 2dsx n ASP 47 Cb 0.93 0.00 0.59 0.00 1.84 0.00 0.00 41.12 44.48 2dsx n ASP 47 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2dsx n ALA 48 N -0.85 2.75 -2.34 2.24 0.00 -0.18 -4.92 120.51 117.21 2dsx n ALA 48 Ca 0.15 -0.34 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 2dsx n ALA 48 Cb 0.07 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 2dsx n ALA 48 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2dsx s PHE 49 N -2.25 3.43 0.11 0.00 0.40 -0.62 -1.37 117.98 117.69 2dsx s PHE 49 Ca 0.34 0.92 0.03 0.00 -0.60 0.00 0.00 56.93 57.62 2dsx s PHE 49 Cb 0.20 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 2dsx s PHE 49 CO 0.42 0.14 -0.09 -1.83 0.70 0.00 0.00 175.22 174.57 2dsx s GLU 50 N -3.20 0.90 0.24 0.44 -1.05 -0.25 -4.92 118.70 110.87 2dsx s GLU 50 Ca 0.49 -1.32 -0.30 0.00 -0.15 0.00 0.00 54.97 53.69 2dsx s GLU 50 Cb -0.11 -0.41 -0.10 0.00 -0.44 0.00 0.00 34.13 33.07 2dsx s GLU 50 CO 0.24 0.04 1.49 0.21 0.95 0.00 0.00 175.26 178.19 2dsx s LYS 51 N -3.51 4.23 0.00 -4.83 2.20 -1.26 -0.25 119.74 116.32 2dsx s LYS 51 Ca 0.11 2.36 0.06 0.00 -0.36 0.00 0.00 55.97 58.14 2dsx s LYS 51 Cb 0.02 -3.10 0.36 0.00 -1.51 0.00 0.00 37.83 33.60 2dsx s LYS 51 CO -0.02 -0.49 0.83 0.94 -0.36 0.00 0.00 175.35 176.25