#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssu s GLN 2 N 0.00 0.87 0.31 -0.67 0.74 -1.26 -5.19 119.66 114.46 1ssu s GLN 2 Ca 0.00 -0.57 0.05 0.00 0.05 0.00 0.00 55.36 54.89 1ssu s GLN 2 Cb 0.00 0.38 -0.03 0.00 1.10 0.00 0.00 33.01 34.45 1ssu s GLN 2 CO 0.00 -0.29 0.23 -1.83 -0.55 0.00 0.00 175.29 172.84 1ssu s GLU 3 N -2.87 1.66 0.32 1.67 -1.05 -1.26 -5.19 118.70 111.98 1ssu s GLU 3 Ca -0.03 -1.96 0.00 0.00 -0.15 0.00 0.00 54.97 52.84 1ssu s GLU 3 Cb 0.00 0.18 -0.01 0.00 -0.44 0.00 0.00 34.13 33.86 1ssu s GLU 3 CO -0.05 -0.57 0.38 -1.54 0.95 0.00 0.00 175.26 174.43 1ssu s SER 4 N -3.36 1.02 0.00 0.83 1.04 -1.26 -5.00 113.70 106.97 1ssu s SER 4 Ca 0.38 -1.53 0.04 0.00 0.48 0.00 0.00 55.95 55.32 1ssu s SER 4 Cb 0.03 0.60 0.16 0.00 0.10 0.00 0.00 66.02 66.91 1ssu s SER 4 CO 0.23 -1.17 1.08 0.00 0.98 0.00 0.00 173.24 174.36 1ssu s LYS 6 N -2.93 2.92 0.00 0.00 1.02 -1.26 -0.51 119.74 118.98 1ssu s LYS 6 Ca 0.02 0.93 0.00 0.00 0.02 0.00 0.00 55.97 56.94 1ssu s LYS 6 Cb 0.02 -4.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.03 1ssu s LYS 6 CO 0.06 -2.37 0.00 0.41 -0.92 0.00 0.00 175.35 172.54 1ssu n GLY 7 N 5.57 0.88 0.00 -3.33 0.00 -1.26 -4.98 105.19 102.07 1ssu n GLY 7 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.69 3.41 -1.68 1.61 1.74 0.33 -5.01 116.66 115.36 1ssu n ARG 8 Ca 0.00 0.00 -0.49 0.00 -0.77 0.00 0.00 57.85 56.59 1ssu n ARG 8 Cb 0.00 -0.69 -0.05 0.00 -1.02 0.00 0.00 32.46 30.70 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 5.04 -2.46 0.31 0.00 -1.04 0.03 -4.92 114.28 111.24 1ssu n THR 10 Ca 0.23 -0.14 0.19 0.00 -2.04 0.00 0.00 64.05 62.28 1ssu n THR 10 Cb 0.28 -2.85 0.98 0.00 -1.82 0.00 0.00 70.33 66.91 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 -1.95 0.00 0.00 -2.82 4.11 -1.09 -3.48 114.58 109.35 1ssu h GLU 11 Ca -0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.84 1ssu h GLU 11 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1ssu h GLU 11 CO 0.66 0.02 0.00 0.41 0.07 0.00 0.00 179.01 180.18 1ssu n GLY 12 N -0.77 2.28 3.73 1.06 0.00 -1.26 -5.05 105.19 105.17 1ssu n GLY 12 Ca -0.02 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.31 3.27 -0.41 1.61 5.36 -1.26 -4.81 117.98 119.41 1ssu s PHE 13 Ca 0.00 1.18 0.07 0.00 -0.96 0.00 0.00 56.93 57.22 1ssu s PHE 13 Cb 0.00 -3.61 0.18 0.00 -0.34 0.00 0.00 43.02 39.26 1ssu s PHE 13 CO 0.00 -1.94 0.65 1.21 -1.46 0.00 0.00 175.22 173.68 1ssu s ASN 14 N 0.52 -1.49 0.24 6.13 3.84 -1.26 -5.07 114.94 117.85 1ssu s ASN 14 Ca 0.58 -0.81 0.14 0.00 0.21 0.00 0.00 52.86 52.98 1ssu s ASN 14 Cb -0.36 1.91 0.78 0.00 -0.55 0.00 0.00 41.25 43.03 1ssu s ASN 14 CO 0.36 -0.16 1.40 0.55 -2.79 0.00 0.00 177.10 176.46 1ssu n VAL 15 N 4.31 1.14 0.21 -5.21 3.14 -1.26 -1.13 118.33 119.52 1ssu n VAL 15 Ca 0.11 0.68 0.06 0.00 -2.96 0.00 0.00 64.34 62.23 1ssu n VAL 15 Cb 0.57 -1.68 0.45 0.00 -1.06 0.00 0.00 33.84 32.12 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 -4.04 6.55 3.58 -1.99 -3.46 116.42 117.07 1ssu h ASP 16 Ca 0.00 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.96 1ssu h ASP 16 Cb 0.15 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.25 1ssu h ASP 16 CO 0.00 0.30 0.43 -0.54 -2.88 0.00 0.00 179.24 176.55 1ssu s LYS 17 N -4.02 3.74 0.56 0.28 1.02 -0.29 -4.97 119.74 116.07 1ssu s LYS 17 Ca -0.02 1.56 0.32 0.00 0.02 0.00 0.00 55.97 57.86 1ssu s LYS 17 Cb 0.13 -2.24 1.68 0.00 -0.52 0.00 0.00 37.83 36.88 1ssu s LYS 17 CO 0.68 -0.52 2.14 -0.22 -0.92 0.00 0.00 175.35 176.51 1ssu h LYS 18 N 1.77 0.00 -4.28 1.68 1.63 -1.89 -3.39 116.57 112.09 1ssu h LYS 18 Ca -0.49 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 58.81 1ssu h LYS 18 Cb 1.24 0.00 -0.35 0.00 -0.60 0.00 0.00 32.23 32.52 1ssu h LYS 18 CO 0.59 0.07 -0.80 0.00 -3.45 0.00 0.00 179.45 175.86 1ssu n GLN 20 N 4.35 3.36 -0.72 0.00 1.13 -0.51 -4.86 117.38 120.14 1ssu n GLN 20 Ca -0.18 -3.18 -0.08 0.00 -1.94 0.00 0.00 57.00 51.62 1ssu n GLN 20 Cb 0.51 -3.05 -0.11 0.00 0.11 0.00 0.00 30.24 27.70 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 2.42 -1.71 0.32 0.00 5.68 -1.26 -0.79 116.55 121.21 1ssu n ASP 22 Ca 0.28 -2.83 0.22 0.00 -0.50 0.00 0.00 54.79 51.95 1ssu n ASP 22 Cb 0.67 3.03 1.12 0.00 -1.14 0.00 0.00 41.12 44.80 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 -0.07 0.11 5.08 -1.94 -3.20 114.58 114.57 1ssu h GLU 23 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1ssu h GLU 23 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1ssu h GLU 23 CO 0.40 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.69 1ssu n LEU 24 N -3.04 2.17 0.20 1.33 4.77 -1.26 -4.74 117.00 116.43 1ssu n LEU 24 Ca -0.02 -1.13 0.05 0.00 -0.03 0.00 0.00 56.01 54.87 1ssu n LEU 24 Cb 0.10 -0.03 0.49 0.00 -2.33 0.00 0.00 43.42 41.65 1ssu n LEU 24 CO 0.21 0.43 0.93 0.00 -1.33 0.00 0.00 177.39 177.63 1ssu h SER 26 N 0.07 0.42 0.54 0.00 4.64 -1.87 0.34 113.55 117.69 1ssu h SER 26 Ca 0.02 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1ssu h SER 26 Cb 0.28 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1ssu h SER 26 CO 0.02 0.52 0.00 0.22 -0.87 0.00 0.00 176.83 176.71 1ssu h TYR 27 N 0.43 0.00 0.00 4.77 3.20 -1.91 -3.24 116.97 120.22 1ssu h TYR 27 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1ssu h TYR 27 Cb 0.34 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1ssu h TYR 27 CO 0.01 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.19 1ssu n TYR 28 N -2.32 0.00 -3.94 -3.82 4.01 -0.52 -5.04 117.16 105.52 1ssu n TYR 28 Ca 0.01 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.44 1ssu n TYR 28 Cb 0.18 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.23 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 -0.92 -5.05 -0.38 -0.72 1.13 -0.01 -4.90 117.38 106.54 1ssu n GLN 29 Ca 0.00 0.56 0.05 0.00 -1.94 0.00 0.00 57.00 55.67 1ssu n GLN 29 Cb 0.00 -5.42 0.08 0.00 0.11 0.00 0.00 30.24 25.01 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 -2.78 1.30 -4.82 1.08 3.41 -1.23 -5.08 113.62 105.49 1ssu n SER 30 Ca 0.05 -2.66 -0.29 0.00 -0.26 0.00 0.00 58.87 55.70 1ssu n SER 30 Cb 0.52 -0.34 0.10 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.58 0.00 -0.31 0.00 1.35 -1.96 -2.69 112.91 109.88 1ssu h THR 33 Ca -0.47 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.17 1ssu h THR 33 Cb 1.37 0.81 -0.36 0.00 -1.73 0.00 0.00 68.15 68.25 1ssu h THR 33 CO 0.51 0.00 -0.97 -0.67 -0.25 0.00 0.00 175.52 174.14 1ssu n ASP 34 N -2.87 1.00 -0.35 5.36 2.03 -1.26 -5.01 116.55 115.44 1ssu n ASP 34 Ca -0.02 -2.05 0.02 0.00 0.52 0.00 0.00 54.79 53.26 1ssu n ASP 34 Cb 0.15 -0.27 0.08 0.00 -0.72 0.00 0.00 41.12 40.37 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 -0.61 0.18 0.36 -0.67 9.36 -1.02 -1.21 117.16 123.55 1ssu n TYR 35 Ca 0.02 1.15 0.07 0.00 3.32 0.00 0.00 57.90 62.47 1ssu n TYR 35 Cb 0.85 -0.95 0.31 0.00 -0.63 0.00 0.00 39.34 38.92 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 -5.46 1.16 0.00 2.97 -1.04 -1.26 -0.63 114.28 110.01 1ssu n THR 36 Ca 0.12 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 1ssu n THR 36 Cb 0.42 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 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 -1.58 1.94 -0.01 2.41 0.00 -0.62 -4.73 120.51 117.93 1ssu n ALA 37 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1ssu n ALA 37 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.10 1.32 0.00 0.00 1.02 -0.35 -4.87 120.64 116.65 1ssu n GLU 38 Ca 0.00 0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.16 1ssu n GLU 38 Cb 0.00 -1.05 -0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1ssu n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ssu n LYS 40 N -0.61 0.86 -0.96 0.00 4.81 -0.17 -3.85 118.16 118.24 1ssu n LYS 40 Ca 0.01 0.32 -0.35 0.00 -0.87 0.00 0.00 58.31 57.41 1ssu n LYS 40 Cb 0.04 -1.95 0.07 0.00 0.02 0.00 0.00 35.03 33.21 1ssu n LYS 40 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ssu n PRO 41 N 5.03 -0.09 -1.67 1.64 -0.02 -1.26 -4.90 135.00 133.74 1ssu n PRO 41 Ca 0.28 -0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 1ssu n PRO 41 Cb 0.08 -1.43 0.01 0.00 -0.02 0.00 0.00 33.50 32.14 1ssu n PRO 41 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ssu n GLN 42 N 0.43 1.73 -2.68 -0.52 6.02 -1.26 -4.97 117.38 116.13 1ssu n GLN 42 Ca 0.03 0.62 -0.11 0.00 -0.01 0.00 0.00 57.00 57.53 1ssu n GLN 42 Cb 0.54 -2.25 0.02 0.00 1.02 0.00 0.00 30.24 29.57 1ssu n GLN 42 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1ssu n VAL 43 N -0.26 1.06 -1.60 5.09 0.24 -1.26 -5.13 118.33 116.47 1ssu n VAL 43 Ca 0.08 -3.33 -0.43 0.00 -2.04 0.00 0.00 64.34 58.61 1ssu n VAL 43 Cb 0.39 0.42 -0.01 0.00 -1.47 0.00 0.00 33.84 33.18 1ssu n VAL 43 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1ssu n THR 44 N -0.08 2.08 -0.00 3.34 -2.24 -1.26 -4.97 114.28 111.15 1ssu n THR 44 Ca 0.13 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1ssu n THR 44 Cb 0.79 -1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 67.94 1ssu n THR 44 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ssu n ARG 45 N 0.57 0.54 0.00 -0.78 0.00 -1.26 -5.03 116.66 110.70 1ssu n ARG 45 Ca 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1ssu n ARG 45 Cb 0.34 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 31.79 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 2.53 0.25 0.19 5.14 0.00 -1.26 -5.01 105.19 107.03 1ssu n GLY 46 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1ssu n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ssu n ASP 47 N 0.00 0.59 -3.69 1.61 5.75 -1.26 -5.04 116.55 114.51 1ssu n ASP 47 Ca 0.00 -1.77 -0.10 0.00 -0.01 0.00 0.00 54.79 52.91 1ssu n ASP 47 Cb 0.00 -0.13 -0.11 0.00 -1.03 0.00 0.00 41.12 39.86 1ssu n ASP 47 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ssu s VAL 48 N -0.52 -0.13 -0.02 2.12 0.11 -1.26 -5.06 120.40 115.64 1ssu s VAL 48 Ca 0.04 0.11 0.18 0.00 -2.93 0.00 0.00 61.98 59.38 1ssu s VAL 48 Cb 0.04 -0.61 0.31 0.00 -1.53 0.00 0.00 36.38 34.59 1ssu s VAL 48 CO 0.00 0.05 1.13 0.49 -3.33 0.00 0.00 175.10 173.44 1ssu n PHE 49 N 4.46 0.02 -4.24 1.54 3.72 -1.26 -4.61 117.46 117.08 1ssu n PHE 49 Ca -0.21 -0.62 -0.18 0.00 -0.05 0.00 0.00 57.45 56.39 1ssu n PHE 49 Cb 0.54 0.08 -0.13 0.00 -0.94 0.00 0.00 39.48 39.03 1ssu n PHE 49 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1ssu s THR 50 N -0.21 1.00 0.00 4.37 2.01 -1.26 -5.25 115.64 116.30 1ssu s THR 50 Ca 0.23 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1ssu s THR 50 Cb 0.28 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.84 1ssu s THR 50 CO -0.11 -0.12 0.00 0.80 -0.69 0.00 0.00 174.62 174.50