#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssu n GLN 2 N 0.00 0.48 -1.25 0.11 7.27 -1.26 -5.14 117.38 117.60 1ssu n GLN 2 Ca 0.00 -3.40 -0.29 0.00 0.07 0.00 0.00 57.00 53.38 1ssu n GLN 2 Cb 0.00 -1.76 0.18 0.00 2.41 0.00 0.00 30.24 31.07 1ssu n GLN 2 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1ssu s GLU 3 N -0.23 0.22 0.29 3.69 8.01 -1.26 -5.12 118.70 124.29 1ssu s GLU 3 Ca 0.32 0.32 -0.01 0.00 0.01 0.00 0.00 54.97 55.61 1ssu s GLU 3 Cb 0.03 -1.73 -0.02 0.00 -4.31 0.00 0.00 34.13 28.10 1ssu s GLU 3 CO -0.19 -2.83 0.33 -1.54 0.01 0.00 0.00 175.26 171.04 1ssu s SER 4 N -3.69 0.77 0.00 -0.19 1.04 -1.26 -5.01 113.70 105.35 1ssu s SER 4 Ca 0.66 -1.45 0.19 0.00 0.48 0.00 0.00 55.95 55.83 1ssu s SER 4 Cb -0.16 0.55 0.88 0.00 0.10 0.00 0.00 66.02 67.39 1ssu s SER 4 CO 0.56 -1.09 1.58 0.00 0.98 0.00 0.00 173.24 175.28 1ssu s LYS 6 N -2.76 2.56 0.00 0.00 3.01 -1.26 -0.52 119.74 120.77 1ssu s LYS 6 Ca 0.14 -0.19 0.00 0.00 -1.01 0.00 0.00 55.97 54.91 1ssu s LYS 6 Cb 0.12 -4.99 0.00 0.00 -1.01 0.00 0.00 37.83 31.95 1ssu s LYS 6 CO 0.31 -3.31 0.00 0.41 0.51 0.00 0.00 175.35 173.27 1ssu n GLY 7 N 6.73 0.76 0.00 -3.33 0.00 -1.26 -5.03 105.19 103.06 1ssu n GLY 7 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1ssu n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ssu n ARG 8 N 0.00 0.78 -1.56 1.61 1.74 0.32 -5.07 116.66 114.48 1ssu n ARG 8 Ca 0.00 0.00 -0.53 0.00 -0.77 0.00 0.00 57.85 56.55 1ssu n ARG 8 Cb 0.00 -0.70 -0.06 0.00 -1.02 0.00 0.00 32.46 30.68 1ssu n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ssu n THR 10 N 2.08 -0.46 0.32 0.00 -1.04 0.11 -4.96 114.28 110.33 1ssu n THR 10 Ca 0.18 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.39 1ssu n THR 10 Cb 0.17 -1.87 1.07 0.00 -1.82 0.00 0.00 70.33 67.88 1ssu n THR 10 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1ssu h GLU 11 N 0.00 0.00 0.00 -2.82 4.11 -1.31 -3.49 114.58 111.07 1ssu h GLU 11 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1ssu h GLU 11 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ssu h GLU 11 CO 0.36 0.01 0.00 0.41 0.07 0.00 0.00 179.01 179.86 1ssu n GLY 12 N -0.96 1.51 3.75 1.06 0.00 -1.26 -5.05 105.19 104.24 1ssu n GLY 12 Ca -0.02 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1ssu n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ssu s PHE 13 N -2.50 3.31 -0.39 1.61 5.36 -1.26 -4.85 117.98 119.26 1ssu s PHE 13 Ca 0.00 1.40 0.03 0.00 -0.96 0.00 0.00 56.93 57.40 1ssu s PHE 13 Cb 0.00 -3.52 0.18 0.00 -0.34 0.00 0.00 43.02 39.34 1ssu s PHE 13 CO 0.00 -1.48 0.76 1.21 -1.46 0.00 0.00 175.22 174.24 1ssu s ASN 14 N -0.12 -1.18 0.00 6.13 3.84 -1.26 -5.07 114.94 117.28 1ssu s ASN 14 Ca 0.52 -0.61 0.00 0.00 0.21 0.00 0.00 52.86 52.98 1ssu s ASN 14 Cb -0.36 1.51 0.00 0.00 -0.55 0.00 0.00 41.25 41.85 1ssu s ASN 14 CO 0.42 -0.13 0.88 0.55 -2.79 0.00 0.00 177.10 176.03 1ssu n VAL 15 N 4.19 1.55 0.18 -5.21 3.14 -1.26 -1.26 118.33 119.67 1ssu n VAL 15 Ca 0.09 0.41 0.04 0.00 -2.96 0.00 0.00 64.34 61.92 1ssu n VAL 15 Cb 0.59 -1.41 0.35 0.00 -1.06 0.00 0.00 33.84 32.31 1ssu n VAL 15 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1ssu h ASP 16 N 0.00 0.00 -4.18 6.55 3.58 -1.97 -3.47 116.42 116.93 1ssu h ASP 16 Ca 0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 1ssu h ASP 16 Cb 0.05 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.17 1ssu h ASP 16 CO 0.00 0.39 0.38 -0.54 -2.88 0.00 0.00 179.24 176.60 1ssu s LYS 17 N -3.93 3.15 0.59 0.28 1.02 -0.39 -4.97 119.74 115.49 1ssu s LYS 17 Ca -0.02 1.31 0.33 0.00 0.02 0.00 0.00 55.97 57.61 1ssu s LYS 17 Cb 0.13 -2.00 1.84 0.00 -0.52 0.00 0.00 37.83 37.28 1ssu s LYS 17 CO 0.71 -0.96 2.22 0.87 -0.92 0.00 0.00 175.35 177.27 1ssu h LYS 18 N 0.40 0.00 -4.31 1.68 6.56 -1.90 -3.41 116.57 115.59 1ssu h LYS 18 Ca -0.47 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 58.87 1ssu h LYS 18 Cb 1.23 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.67 1ssu h LYS 18 CO 0.56 0.04 -0.73 0.00 -2.06 0.00 0.00 179.45 177.26 1ssu n GLN 20 N 1.82 4.55 -0.57 0.00 1.13 -1.19 -4.91 117.38 118.22 1ssu n GLN 20 Ca -0.21 -4.61 -0.06 0.00 -1.94 0.00 0.00 57.00 50.18 1ssu n GLN 20 Cb 0.56 -2.47 -0.09 0.00 0.11 0.00 0.00 30.24 28.35 1ssu n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ssu n ASP 22 N 2.47 -1.52 0.31 0.00 5.68 -1.26 -0.71 116.55 121.52 1ssu n ASP 22 Ca 0.22 -2.89 0.20 0.00 -0.50 0.00 0.00 54.79 51.81 1ssu n ASP 22 Cb 0.53 2.77 0.94 0.00 -1.14 0.00 0.00 41.12 44.22 1ssu n ASP 22 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ssu h GLU 23 N 0.00 0.00 0.00 0.11 5.08 -1.93 -3.28 114.58 114.56 1ssu h GLU 23 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1ssu h GLU 23 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1ssu h GLU 23 CO 0.38 0.00 -0.91 1.28 -1.00 0.00 0.00 179.01 178.76 1ssu n LEU 24 N -3.09 0.68 0.27 1.33 4.77 -1.26 -4.55 117.00 115.15 1ssu n LEU 24 Ca -0.01 -0.44 0.10 0.00 -0.03 0.00 0.00 56.01 55.64 1ssu n LEU 24 Cb 0.20 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.02 1ssu n LEU 24 CO 0.24 0.17 1.09 0.00 -1.33 0.00 0.00 177.39 177.56 1ssu h SER 26 N 0.00 0.00 0.05 0.00 0.87 -1.84 0.29 113.55 112.92 1ssu h SER 26 Ca -0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 1ssu h SER 26 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 1ssu h SER 26 CO 0.00 0.02 -1.86 0.00 -0.53 0.00 0.00 176.83 174.46 1ssu n TYR 27 N -3.18 0.87 0.71 2.24 9.36 -0.58 -4.47 117.16 122.10 1ssu n TYR 27 Ca -0.02 0.27 0.09 0.00 3.32 0.00 0.00 57.90 61.56 1ssu n TYR 27 Cb 0.17 -1.10 0.42 0.00 -0.63 0.00 0.00 39.34 38.20 1ssu n TYR 27 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ssu n TYR 28 N -3.90 0.00 -3.75 2.98 4.01 -0.97 -4.92 117.16 110.61 1ssu n TYR 28 Ca -0.37 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.10 1ssu n TYR 28 Cb 0.89 -0.46 0.04 0.00 -0.31 0.00 0.00 39.34 39.50 1ssu n TYR 28 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1ssu n GLN 29 N -1.46 -6.32 -0.14 -0.72 1.13 0.06 -4.92 117.38 105.02 1ssu n GLN 29 Ca 0.05 0.69 0.02 0.00 -1.94 0.00 0.00 57.00 55.83 1ssu n GLN 29 Cb 0.21 -5.64 0.03 0.00 0.11 0.00 0.00 30.24 24.96 1ssu n GLN 29 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1ssu n SER 30 N -2.87 1.05 -4.64 1.08 3.41 -1.17 -5.08 113.62 105.40 1ssu n SER 30 Ca 0.03 -1.97 -0.31 0.00 -0.26 0.00 0.00 58.87 56.36 1ssu n SER 30 Cb 0.54 -0.14 0.18 0.00 -0.26 0.00 0.00 64.21 64.53 1ssu n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ssu h THR 33 N -1.31 0.23 -0.11 0.00 1.35 -1.95 -2.49 112.91 108.63 1ssu h THR 33 Ca -0.45 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.22 1ssu h THR 33 Cb 1.29 0.87 -0.39 0.00 -1.73 0.00 0.00 68.15 68.19 1ssu h THR 33 CO 0.43 0.00 -1.04 -0.67 -0.25 0.00 0.00 175.52 173.99 1ssu n ASP 34 N -3.38 1.09 -0.19 5.36 2.03 -1.26 -5.01 116.55 115.18 1ssu n ASP 34 Ca -0.01 -2.01 -0.02 0.00 0.52 0.00 0.00 54.79 53.27 1ssu n ASP 34 Cb 0.24 -0.33 -0.00 0.00 -0.72 0.00 0.00 41.12 40.31 1ssu n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ssu n TYR 35 N 0.20 -0.06 0.39 -0.67 9.36 -0.94 -0.90 117.16 124.54 1ssu n TYR 35 Ca 0.05 0.61 0.06 0.00 3.32 0.00 0.00 57.90 61.94 1ssu n TYR 35 Cb 1.05 -0.63 0.26 0.00 -0.63 0.00 0.00 39.34 39.39 1ssu n TYR 35 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1ssu n THR 36 N -4.69 1.20 0.00 2.97 -1.04 -1.26 -0.64 114.28 110.82 1ssu n THR 36 Ca 0.04 0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1ssu n THR 36 Cb 0.17 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 1ssu n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ssu n ALA 37 N -1.52 1.97 -0.04 2.41 0.00 -0.40 -4.68 120.51 118.25 1ssu n ALA 37 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.47 1ssu n ALA 37 Cb 0.14 0.25 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 1ssu n ALA 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ssu n GLU 38 N -1.97 0.97 0.00 0.00 -0.58 -0.08 -4.73 120.64 114.25 1ssu n GLU 38 Ca 0.00 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1ssu n GLU 38 Cb 0.49 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 1ssu n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ssu n LYS 40 N -0.87 0.00 0.00 0.00 4.81 0.19 -4.60 118.16 117.69 1ssu n LYS 40 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ssu n LYS 40 Cb 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1ssu n LYS 40 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1ssu n PRO 41 N 7.37 -0.04 -1.43 1.64 -0.04 -1.26 -4.96 135.00 136.29 1ssu n PRO 41 Ca 0.56 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.64 1ssu n PRO 41 Cb -0.01 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.50 1ssu n PRO 41 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ssu n GLN 42 N -0.99 0.48 -4.43 0.54 0.00 -1.26 -5.04 117.38 106.68 1ssu n GLN 42 Ca 0.00 0.20 -0.20 0.00 -0.00 0.00 0.00 57.00 57.00 1ssu n GLN 42 Cb 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 30.24 28.34 1ssu n GLN 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1ssu s VAL 43 N -1.75 0.94 0.21 1.69 1.01 -1.26 -4.95 120.40 116.29 1ssu s VAL 43 Ca 0.68 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 1ssu s VAL 43 Cb -0.42 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1ssu s VAL 43 CO 0.55 0.15 0.20 0.42 0.00 0.00 0.00 175.10 176.42 1ssu s THR 44 N -0.49 0.00 -0.40 3.92 -4.23 -1.26 -4.32 115.64 108.86 1ssu s THR 44 Ca 0.03 -1.88 0.20 0.00 -1.18 0.00 0.00 61.69 58.86 1ssu s THR 44 Cb -0.06 -2.44 0.21 0.00 1.34 0.00 0.00 72.50 71.55 1ssu s THR 44 CO 0.00 0.00 1.62 -1.14 -0.54 0.00 0.00 174.62 174.56 1ssu n ARG 45 N -0.30 0.14 0.00 3.99 3.00 0.38 -4.91 116.66 118.97 1ssu n ARG 45 Ca 0.01 0.53 0.00 0.00 -0.00 0.00 0.00 57.85 58.39 1ssu n ARG 45 Cb 0.65 -1.87 0.00 0.00 0.00 0.00 0.00 32.46 31.24 1ssu n ARG 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ssu n GLY 46 N -0.77 1.23 0.24 5.14 0.00 -1.26 -4.53 105.19 105.23 1ssu n GLY 46 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1ssu n GLY 46 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ssu h ASP 47 N 0.00 0.00 -5.15 1.61 3.58 -1.96 -3.45 116.42 111.05 1ssu h ASP 47 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1ssu h ASP 47 Cb 0.00 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 40.92 1ssu h ASP 47 CO 0.00 0.00 -0.29 0.68 -2.88 0.00 0.00 179.24 176.75 1ssu s VAL 48 N -3.46 0.11 -0.68 2.25 -7.23 -1.26 -5.07 120.40 105.06 1ssu s VAL 48 Ca 0.04 -1.07 0.24 0.00 -1.81 0.00 0.00 61.98 59.38 1ssu s VAL 48 Cb 0.08 -1.38 0.25 0.00 0.56 0.00 0.00 36.38 35.88 1ssu s VAL 48 CO 0.59 -0.52 1.73 0.49 -0.31 0.00 0.00 175.10 177.08 1ssu n PHE 49 N -0.12 0.69 -1.71 2.82 3.72 -1.26 -3.24 117.46 118.35 1ssu n PHE 49 Ca -0.14 0.24 -0.39 0.00 -0.05 0.00 0.00 57.45 57.11 1ssu n PHE 49 Cb 0.63 -0.88 0.04 0.00 -0.94 0.00 0.00 39.48 38.32 1ssu n PHE 49 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ssu n THR 50 N -2.10 3.55 0.00 4.37 -1.04 -1.26 -4.74 114.28 113.06 1ssu n THR 50 Ca 0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 1ssu n THR 50 Cb 0.31 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 1ssu n THR 50 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66