#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 1.37 0.08 -1.24 1.11 -1.26 -4.88 119.66 114.84 1ssu s GLN 2 Ca 0.00 -1.74 -0.10 0.00 0.01 0.00 0.00 55.36 53.53 1ssu s GLN 2 Cb 0.00 0.04 0.00 0.00 -1.01 0.00 0.00 33.01 32.04 1ssu s GLN 2 CO 0.00 -0.38 0.21 -2.00 0.01 0.00 0.00 175.29 173.13 1ssu s GLU 3 N -4.02 0.84 0.93 2.91 2.12 -1.16 -4.82 118.70 115.49 1ssu s GLU 3 Ca 0.38 -0.86 -0.12 0.00 0.36 0.00 0.00 54.97 54.73 1ssu s GLU 3 Cb 0.07 0.34 0.15 0.00 0.26 0.00 0.00 34.13 34.95 1ssu s GLU 3 CO 0.14 -0.27 1.11 0.45 -0.54 0.00 0.00 175.26 176.16 1ssu s SER 4 N -2.69 3.26 -0.08 -1.70 0.15 -1.26 -2.09 113.70 109.28 1ssu s SER 4 Ca 0.03 1.10 0.12 0.00 0.70 0.00 0.00 55.95 57.90 1ssu s SER 4 Cb 0.03 -1.73 0.18 0.00 -1.71 0.00 0.00 66.02 62.79 1ssu s SER 4 CO -0.10 -2.72 1.09 0.00 1.20 0.00 0.00 173.24 172.71 1ssu s LYS 6 N -2.15 2.53 0.00 0.00 -0.14 -1.26 -1.42 119.74 117.29 1ssu s LYS 6 Ca 0.20 0.12 0.00 0.00 -1.36 0.00 0.00 55.97 54.94 1ssu s LYS 6 Cb 0.18 -4.79 0.00 0.00 -1.68 0.00 0.00 37.83 31.54 1ssu s LYS 6 CO 0.02 -3.19 0.00 0.41 -0.76 0.00 0.00 175.35 171.83 1ssu n GLY 7 N 6.40 0.92 0.00 -3.33 0.00 -1.26 -5.00 105.19 102.92 1ssu n GLY 7 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.15 2.36 -1.61 1.61 1.74 -0.51 -5.11 116.66 113.00 1ssu n ARG 8 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1ssu n ARG 8 Cb 0.00 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 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 -0.27 -0.36 0.37 0.00 -1.04 0.12 -4.94 114.28 108.15 1ssu n THR 10 Ca 0.09 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.23 1ssu n THR 10 Cb 0.37 -1.86 0.54 0.00 -1.82 0.00 0.00 70.33 67.56 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 -1.68 -3.49 114.58 110.70 1ssu h GLU 11 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1ssu h GLU 11 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1ssu h GLU 11 CO 0.40 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.89 1ssu n GLY 12 N 0.01 1.96 3.78 1.06 0.00 -1.26 -5.08 105.19 105.67 1ssu n GLY 12 Ca 0.02 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.95 3.47 -0.38 1.61 5.36 -1.26 -4.67 117.98 120.16 1ssu s PHE 13 Ca 0.00 0.39 0.06 0.00 -0.96 0.00 0.00 56.93 56.43 1ssu s PHE 13 Cb 0.00 -2.06 0.18 0.00 -0.34 0.00 0.00 43.02 40.80 1ssu s PHE 13 CO 0.00 0.47 0.56 1.21 -1.46 0.00 0.00 175.22 176.00 1ssu s ASN 14 N -0.23 -0.94 0.33 6.13 3.84 -1.26 -5.07 114.94 117.74 1ssu s ASN 14 Ca 0.11 -0.75 0.18 0.00 0.21 0.00 0.00 52.86 52.60 1ssu s ASN 14 Cb -0.11 1.67 0.97 0.00 -0.55 0.00 0.00 41.25 43.22 1ssu s ASN 14 CO 0.01 -0.22 1.50 0.55 -2.79 0.00 0.00 177.10 176.15 1ssu n VAL 15 N 4.60 0.84 0.22 -5.21 3.14 -1.26 -1.29 118.33 119.37 1ssu n VAL 15 Ca 0.09 0.74 0.08 0.00 -2.96 0.00 0.00 64.34 62.30 1ssu n VAL 15 Cb 0.54 -1.74 0.47 0.00 -1.06 0.00 0.00 33.84 32.05 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 -4.17 6.55 3.58 -1.97 -3.47 116.42 116.94 1ssu h ASP 16 Ca 0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 1ssu h ASP 16 Cb 0.28 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.42 1ssu h ASP 16 CO 0.00 0.26 0.39 -0.54 -2.88 0.00 0.00 179.24 176.47 1ssu s LYS 17 N -3.82 2.97 0.58 0.28 1.02 -0.41 -4.95 119.74 115.41 1ssu s LYS 17 Ca -0.01 1.45 0.39 0.00 0.02 0.00 0.00 55.97 57.81 1ssu s LYS 17 Cb 0.12 -1.97 1.98 0.00 -0.52 0.00 0.00 37.83 37.44 1ssu s LYS 17 CO 0.65 -1.13 2.17 0.87 -0.92 0.00 0.00 175.35 176.99 1ssu h LYS 18 N 0.36 0.00 -3.87 1.68 6.56 -1.90 -3.40 116.57 116.00 1ssu h LYS 18 Ca -0.48 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 58.94 1ssu h LYS 18 Cb 1.25 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 32.69 1ssu h LYS 18 CO 0.55 0.00 -0.68 0.00 -2.06 0.00 0.00 179.45 177.26 1ssu n GLN 20 N 1.87 4.54 -0.31 0.00 1.13 -0.40 -4.89 117.38 119.31 1ssu n GLN 20 Ca -0.22 -4.55 -0.01 0.00 -1.94 0.00 0.00 57.00 50.28 1ssu n GLN 20 Cb 0.56 -2.51 -0.02 0.00 0.11 0.00 0.00 30.24 28.38 1ssu n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ssu s ASP 22 N 2.10 0.15 0.44 0.00 2.15 -1.26 -0.71 116.67 119.54 1ssu s ASP 22 Ca 0.07 -1.08 0.13 0.00 0.43 0.00 0.00 52.55 52.10 1ssu s ASP 22 Cb 0.03 0.64 1.02 0.00 -0.30 0.00 0.00 42.92 44.31 1ssu s ASP 22 CO 0.00 -1.24 2.00 -0.33 -0.17 0.00 0.00 175.17 175.42 1ssu h GLU 23 N 2.19 0.39 -0.00 4.34 5.08 -1.91 -2.98 114.58 121.69 1ssu h GLU 23 Ca -0.27 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1ssu h GLU 23 Cb 1.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ssu h GLU 23 CO 0.36 0.26 -0.16 1.28 -1.00 0.00 0.00 179.01 179.76 1ssu n LEU 24 N -4.47 0.63 0.24 1.33 4.77 -1.26 -4.36 117.00 113.88 1ssu n LEU 24 Ca 0.08 -0.07 0.07 0.00 -0.03 0.00 0.00 56.01 56.07 1ssu n LEU 24 Cb 0.32 -0.17 0.59 0.00 -2.33 0.00 0.00 43.42 41.83 1ssu n LEU 24 CO 0.34 0.12 1.03 0.00 -1.33 0.00 0.00 177.39 177.55 1ssu n SER 26 N -4.48 0.00 -0.06 0.00 2.88 -1.26 -0.82 113.62 109.87 1ssu n SER 26 Ca -0.03 0.05 0.10 0.00 -1.33 0.00 0.00 58.87 57.66 1ssu n SER 26 Cb 0.13 -0.26 -0.10 0.00 -0.75 0.00 0.00 64.21 63.23 1ssu n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ssu n TYR 27 N -1.26 0.00 0.00 0.66 9.36 -0.94 -4.53 117.16 120.46 1ssu n TYR 27 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1ssu n TYR 27 Cb 0.10 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 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 -1.29 0.00 -2.61 2.98 4.01 -0.35 -5.04 117.16 114.85 1ssu n TYR 28 Ca 0.05 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.59 1ssu n TYR 28 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 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 -1.06 -2.64 -0.14 -0.72 1.13 -0.00 -4.91 117.38 109.05 1ssu n GLN 29 Ca 0.00 0.87 0.09 0.00 -1.94 0.00 0.00 57.00 56.02 1ssu n GLN 29 Cb 0.00 -5.57 0.14 0.00 0.11 0.00 0.00 30.24 24.92 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 -2.10 2.21 -3.81 1.08 3.41 -1.23 -5.04 113.62 108.14 1ssu n SER 30 Ca -0.18 -3.13 -0.28 0.00 -0.26 0.00 0.00 58.87 55.02 1ssu n SER 30 Cb 0.65 -0.43 0.25 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.58 0.64 -0.41 0.00 2.02 -1.74 -3.15 112.91 108.69 1ssu h THR 33 Ca -0.45 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.49 1ssu h THR 33 Cb 1.30 0.82 -0.36 0.00 -1.74 0.00 0.00 68.15 68.18 1ssu h THR 33 CO 0.33 0.00 -0.98 -0.67 0.37 0.00 0.00 175.52 174.57 1ssu n ASP 34 N -4.10 1.02 -0.29 4.18 2.03 -1.26 -5.03 116.55 113.10 1ssu n ASP 34 Ca 0.04 -2.12 0.05 0.00 0.52 0.00 0.00 54.79 53.28 1ssu n ASP 34 Cb 0.39 -0.28 0.15 0.00 -0.72 0.00 0.00 41.12 40.66 1ssu n ASP 34 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1ssu h TYR 35 N 2.39 -0.29 0.00 -0.67 5.03 -1.90 -1.46 116.97 120.06 1ssu h TYR 35 Ca -0.19 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.19 1ssu h TYR 35 Cb 1.27 0.26 0.00 0.00 1.55 0.00 0.00 36.73 39.81 1ssu h TYR 35 CO 0.41 -0.34 0.00 0.25 -1.32 0.00 0.00 178.16 177.15 1ssu n THR 36 N -5.49 0.97 0.00 1.81 -2.24 -1.26 -0.83 114.28 107.24 1ssu n THR 36 Ca 0.14 0.41 0.00 0.00 -2.27 0.00 0.00 64.05 62.33 1ssu n THR 36 Cb 0.49 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 1ssu n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ssu n ALA 37 N -1.74 1.95 0.00 6.98 0.00 -0.64 -4.68 120.51 122.38 1ssu n ALA 37 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ssu n ALA 37 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.99 3.49 0.00 0.00 -0.58 -0.67 -4.91 120.64 116.98 1ssu n GLU 38 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ssu n GLU 38 Cb 0.00 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 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 -1.54 0.00 -2.53 0.00 3.00 -0.14 -4.64 118.16 112.31 1ssu n LYS 40 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 1ssu n LYS 40 Cb 0.09 -1.29 -0.03 0.00 0.00 0.00 0.00 35.03 33.80 1ssu n LYS 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1ssu s PRO 41 N 7.77 3.78 -0.27 1.64 0.04 -1.26 -4.14 135.00 142.56 1ssu s PRO 41 Ca 1.19 1.37 -0.00 0.00 0.04 0.00 0.00 61.00 63.59 1ssu s PRO 41 Cb -1.08 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1ssu s PRO 41 CO 0.43 -0.45 0.01 0.00 0.04 0.00 0.00 177.00 177.03 1ssu n GLN 42 N -0.98 -0.99 -1.69 4.56 10.64 -1.26 -4.85 117.38 122.81 1ssu n GLN 42 Ca 0.09 0.02 -0.44 0.00 -1.83 0.00 0.00 57.00 54.84 1ssu n GLN 42 Cb 0.52 -0.63 -0.03 0.00 -0.86 0.00 0.00 30.24 29.24 1ssu n GLN 42 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1ssu n VAL 43 N -1.58 0.43 -3.85 -0.39 3.14 -1.26 -4.98 118.33 109.85 1ssu n VAL 43 Ca -0.05 -0.11 -0.08 0.00 -2.96 0.00 0.00 64.34 61.14 1ssu n VAL 43 Cb 0.12 -1.67 0.00 0.00 -1.06 0.00 0.00 33.84 31.23 1ssu n VAL 43 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1ssu s THR 44 N 0.53 0.00 0.80 1.55 -1.32 -1.26 -5.18 115.64 110.76 1ssu s THR 44 Ca 0.73 -1.04 -0.13 0.00 -1.21 0.00 0.00 61.69 60.04 1ssu s THR 44 Cb -0.61 -2.53 0.08 0.00 -1.51 0.00 0.00 72.50 67.93 1ssu s THR 44 CO 0.42 0.00 1.16 0.00 -2.21 0.00 0.00 174.62 173.99 1ssu s ARG 45 N -2.98 1.81 0.00 7.08 1.70 -1.26 -4.92 118.95 120.38 1ssu s ARG 45 Ca 0.15 1.57 0.00 0.00 -0.47 0.00 0.00 55.73 56.98 1ssu s ARG 45 Cb -0.05 -1.81 0.00 0.00 -0.57 0.00 0.00 34.95 32.52 1ssu s ARG 45 CO 0.10 -2.05 1.57 0.41 -1.08 0.00 0.00 175.30 174.25 1ssu n GLY 46 N 0.01 2.16 0.00 3.88 0.00 -1.26 -3.49 105.19 106.49 1ssu n GLY 46 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ssu n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ssu n ASP 47 N 1.31 0.00 -3.01 1.61 2.03 -1.26 -5.11 116.55 112.13 1ssu n ASP 47 Ca 0.00 -1.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.14 1ssu n ASP 47 Cb 0.45 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.79 1ssu n ASP 47 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ssu n VAL 48 N 0.00 0.00 -4.19 5.18 0.24 -1.23 -5.20 118.33 113.13 1ssu n VAL 48 Ca 0.00 -2.07 -0.11 0.00 -2.04 0.00 0.00 64.34 60.12 1ssu n VAL 48 Cb 0.48 1.10 -0.10 0.00 -1.47 0.00 0.00 33.84 33.84 1ssu n VAL 48 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1ssu s PHE 49 N -3.19 0.99 -1.54 6.34 5.36 -1.26 -5.00 117.98 119.68 1ssu s PHE 49 Ca 0.34 -1.10 0.22 0.00 -0.96 0.00 0.00 56.93 55.43 1ssu s PHE 49 Cb 0.01 -0.57 1.16 0.00 -0.34 0.00 0.00 43.02 43.28 1ssu s PHE 49 CO 0.24 -0.34 1.72 0.25 -1.46 0.00 0.00 175.22 175.62 1ssu n THR 50 N -0.14 0.25 0.00 0.12 -2.24 -1.26 -5.16 114.28 105.85 1ssu n THR 50 Ca -0.07 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1ssu n THR 50 Cb 0.63 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1ssu n THR 50 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65