#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 4.10 0.09 -1.24 -1.52 -1.26 -5.06 119.66 114.77 1ssu s GLN 2 Ca 0.00 1.90 -0.20 0.00 -1.95 0.00 0.00 55.36 55.11 1ssu s GLN 2 Cb 0.00 -2.74 0.05 0.00 -0.22 0.00 0.00 33.01 30.10 1ssu s GLN 2 CO 0.00 -0.30 0.49 -2.00 -0.25 0.00 0.00 175.29 173.23 1ssu s GLU 3 N -2.21 1.09 0.37 2.91 2.56 -1.26 -5.19 118.70 116.96 1ssu s GLU 3 Ca 0.56 -0.43 -0.06 0.00 0.00 0.00 0.00 54.97 55.04 1ssu s GLU 3 Cb -0.32 0.49 0.02 0.00 2.00 0.00 0.00 34.13 36.32 1ssu s GLU 3 CO 0.41 -0.42 0.58 -1.13 -0.56 0.00 0.00 175.26 174.14 1ssu n SER 4 N 0.06 -1.66 0.00 -1.70 3.41 -1.26 -5.04 113.62 107.43 1ssu n SER 4 Ca -0.17 -2.81 0.08 0.00 -0.26 0.00 0.00 58.87 55.70 1ssu n SER 4 Cb 0.62 2.96 0.38 0.00 -0.26 0.00 0.00 64.21 67.91 1ssu n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ssu s LYS 6 N -2.68 4.20 0.00 0.00 2.47 -1.26 -1.30 119.74 121.16 1ssu s LYS 6 Ca 0.13 2.42 0.00 0.00 -1.56 0.00 0.00 55.97 56.95 1ssu s LYS 6 Cb 0.10 -3.13 0.00 0.00 -1.46 0.00 0.00 37.83 33.35 1ssu s LYS 6 CO 0.25 -0.61 0.00 0.41 0.16 0.00 0.00 175.35 175.56 1ssu n GLY 7 N 3.51 1.02 0.00 5.54 0.00 -1.26 -4.87 105.19 109.13 1ssu n GLY 7 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 3.54 -1.46 1.61 1.74 -0.42 -5.12 116.66 114.55 1ssu n ARG 8 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1ssu n ARG 8 Cb 0.00 -0.64 -0.00 0.00 -1.02 0.00 0.00 32.46 30.79 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 -0.53 -1.18 0.29 0.00 -1.04 0.19 -4.93 114.28 107.08 1ssu n THR 10 Ca 0.12 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.31 1ssu n THR 10 Cb 0.36 -3.03 0.83 0.00 -1.82 0.00 0.00 70.33 66.67 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 -0.28 0.00 0.00 -2.82 4.11 -1.65 -3.49 114.58 110.45 1ssu h GLU 11 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1ssu h GLU 11 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1ssu h GLU 11 CO 0.57 0.02 0.00 0.41 0.07 0.00 0.00 179.01 180.09 1ssu n GLY 12 N -0.34 2.39 3.74 1.06 0.00 -1.26 -5.06 105.19 105.72 1ssu n GLY 12 Ca -0.01 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.80 3.29 -0.40 1.61 5.36 -1.26 -4.77 117.98 119.01 1ssu s PHE 13 Ca 0.00 1.30 0.07 0.00 -0.96 0.00 0.00 56.93 57.34 1ssu s PHE 13 Cb 0.00 -3.56 0.18 0.00 -0.34 0.00 0.00 43.02 39.30 1ssu s PHE 13 CO 0.00 -1.67 0.66 1.21 -1.46 0.00 0.00 175.22 173.95 1ssu s ASN 14 N 0.16 -1.46 0.00 6.13 3.84 -1.26 -5.07 114.94 117.29 1ssu s ASN 14 Ca 0.55 -0.67 0.04 0.00 0.21 0.00 0.00 52.86 52.98 1ssu s ASN 14 Cb -0.36 1.86 0.18 0.00 -0.55 0.00 0.00 41.25 42.39 1ssu s ASN 14 CO 0.39 -0.17 1.11 0.55 -2.79 0.00 0.00 177.10 176.19 1ssu n VAL 15 N 4.43 1.62 0.21 -5.21 3.14 -1.26 -1.47 118.33 119.79 1ssu n VAL 15 Ca 0.10 0.40 0.07 0.00 -2.96 0.00 0.00 64.34 61.96 1ssu n VAL 15 Cb 0.57 -1.33 0.44 0.00 -1.06 0.00 0.00 33.84 32.46 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 -4.05 6.55 3.58 -1.98 -3.46 116.42 117.06 1ssu h ASP 16 Ca 0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 1ssu h ASP 16 Cb 0.07 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.13 1ssu h ASP 16 CO 0.00 0.30 0.38 -0.54 -2.88 0.00 0.00 179.24 176.50 1ssu s LYS 17 N -3.88 3.96 0.35 0.28 1.02 -0.54 -4.97 119.74 115.96 1ssu s LYS 17 Ca -0.01 1.34 0.26 0.00 0.02 0.00 0.00 55.97 57.58 1ssu s LYS 17 Cb 0.12 -2.20 1.23 0.00 -0.52 0.00 0.00 37.83 36.46 1ssu s LYS 17 CO 0.67 -0.29 1.79 0.87 -0.92 0.00 0.00 175.35 177.46 1ssu h LYS 18 N 1.82 0.00 -3.79 1.68 6.56 -1.89 -3.40 116.57 117.56 1ssu h LYS 18 Ca -0.49 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 58.75 1ssu h LYS 18 Cb 1.21 0.00 -0.33 0.00 -0.57 0.00 0.00 32.23 32.54 1ssu h LYS 18 CO 0.60 0.00 -0.75 0.00 -2.06 0.00 0.00 179.45 177.24 1ssu n GLN 20 N 4.03 3.42 -0.90 0.00 1.13 -0.26 -4.86 117.38 119.93 1ssu n GLN 20 Ca -0.26 -3.48 -0.10 0.00 -1.94 0.00 0.00 57.00 51.22 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 s ASP 22 N 1.82 0.55 0.64 0.00 -4.77 -1.26 -0.64 116.67 113.01 1ssu s ASP 22 Ca 0.48 -1.32 0.41 0.00 -3.30 0.00 0.00 52.55 48.82 1ssu s ASP 22 Cb 0.24 0.71 2.20 0.00 -1.09 0.00 0.00 42.92 44.97 1ssu s ASP 22 CO -0.02 -1.39 2.30 -0.33 0.70 0.00 0.00 175.17 176.44 1ssu h GLU 23 N 2.10 0.00 -0.23 2.11 5.08 -1.93 -3.05 114.58 118.66 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 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ssu h GLU 23 CO 0.39 0.01 0.00 1.28 -1.00 0.00 0.00 179.01 179.68 1ssu n LEU 24 N -3.18 2.76 -0.03 1.33 4.77 -1.26 -4.76 117.00 116.62 1ssu n LEU 24 Ca -0.02 -1.43 0.02 0.00 -0.03 0.00 0.00 56.01 54.55 1ssu n LEU 24 Cb 0.11 -0.14 0.36 0.00 -2.33 0.00 0.00 43.42 41.42 1ssu n LEU 24 CO 0.22 0.60 1.11 0.00 -1.33 0.00 0.00 177.39 177.99 1ssu h SER 26 N 0.62 0.00 0.38 0.00 4.64 -1.86 -1.16 113.55 116.16 1ssu h SER 26 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1ssu h SER 26 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1ssu h SER 26 CO -0.02 0.60 0.00 0.22 -0.87 0.00 0.00 176.83 176.76 1ssu h TYR 27 N 0.00 0.00 -0.03 4.77 3.20 -1.91 -2.32 116.97 120.68 1ssu h TYR 27 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1ssu h TYR 27 Cb 1.14 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1ssu h TYR 27 CO 0.00 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 1ssu n TYR 28 N -2.66 0.03 -3.42 -3.82 4.01 -0.83 -5.01 117.16 105.45 1ssu n TYR 28 Ca -0.01 -0.04 -0.23 0.00 -0.16 0.00 0.00 57.90 57.46 1ssu n TYR 28 Cb 0.15 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.47 -3.00 -0.17 -0.72 3.00 -0.50 -4.87 117.38 111.59 1ssu n GLN 29 Ca 0.05 0.39 0.07 0.00 -0.01 0.00 0.00 57.00 57.50 1ssu n GLN 29 Cb 0.23 -5.05 0.10 0.00 0.00 0.00 0.00 30.24 25.51 1ssu n GLN 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ssu n SER 30 N -2.23 1.74 -4.69 1.08 7.64 -0.89 -5.02 113.62 111.25 1ssu n SER 30 Ca 0.00 -2.75 -0.31 0.00 1.01 0.00 0.00 58.87 56.82 1ssu n SER 30 Cb 0.53 -0.35 0.15 0.00 -1.01 0.00 0.00 64.21 63.53 1ssu n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ssu h THR 33 N 0.06 0.00 0.00 0.00 1.35 -1.98 -2.04 112.91 110.30 1ssu h THR 33 Ca -0.46 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.27 1ssu h THR 33 Cb 1.38 0.63 -0.27 0.00 -1.73 0.00 0.00 68.15 68.15 1ssu h THR 33 CO 0.46 0.00 -0.87 0.47 -0.25 0.00 0.00 175.52 175.33 1ssu n ASP 34 N -2.59 1.09 -0.31 5.36 8.00 -1.26 -4.99 116.55 121.85 1ssu n ASP 34 Ca -0.02 -2.40 -0.01 0.00 0.71 0.00 0.00 54.79 53.07 1ssu n ASP 34 Cb 0.18 -0.34 0.06 0.00 -0.02 0.00 0.00 41.12 41.00 1ssu n ASP 34 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1ssu h TYR 35 N 0.90 -0.83 0.00 1.24 3.20 -1.71 0.87 116.97 120.63 1ssu h TYR 35 Ca -0.16 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1ssu h TYR 35 Cb 1.66 0.49 0.00 0.00 1.54 0.00 0.00 36.73 40.42 1ssu h TYR 35 CO 0.28 -0.39 0.00 0.25 -1.64 0.00 0.00 178.16 176.67 1ssu n THR 36 N -5.49 1.34 0.00 1.81 -2.24 -1.26 -0.54 114.28 107.89 1ssu n THR 36 Ca 0.09 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 1ssu n THR 36 Cb 0.40 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 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 -1.48 1.98 0.00 6.98 0.00 -0.15 -4.72 120.51 123.12 1ssu n ALA 37 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ssu n ALA 37 Cb 0.10 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.84 0.49 0.00 0.00 -0.58 0.12 -4.83 120.64 113.99 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 0.36 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 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 -1.23 1.81 -0.80 0.00 4.81 0.30 -4.48 118.16 118.57 1ssu n LYS 40 Ca 0.00 0.66 -0.34 0.00 -0.87 0.00 0.00 58.31 57.76 1ssu n LYS 40 Cb 0.00 -2.44 0.12 0.00 0.02 0.00 0.00 35.03 32.73 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 5.61 -0.77 -1.77 1.64 -0.02 -1.26 -4.82 135.00 133.61 1ssu n PRO 41 Ca 0.23 -0.21 -0.19 0.00 -2.02 0.00 0.00 63.50 61.31 1ssu n PRO 41 Cb 0.24 -1.55 -0.07 0.00 -0.02 0.00 0.00 33.50 32.10 1ssu n PRO 41 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ssu s GLN 42 N -3.10 1.90 -0.14 -0.52 0.74 -1.26 -4.87 119.66 112.40 1ssu s GLN 42 Ca 0.51 -0.06 -0.04 0.00 0.05 0.00 0.00 55.36 55.82 1ssu s GLN 42 Cb -0.12 -4.95 0.05 0.00 1.10 0.00 0.00 33.01 29.10 1ssu s GLN 42 CO 0.69 -4.27 0.08 0.08 -0.55 0.00 0.00 175.29 171.32 1ssu s VAL 43 N 13.42 -0.05 0.09 1.34 1.01 -1.26 -5.15 120.40 129.79 1ssu s VAL 43 Ca 0.82 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.68 1ssu s VAL 43 Cb -0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1ssu s VAL 43 CO 0.08 -0.17 0.13 0.42 0.00 0.00 0.00 175.10 175.55 1ssu s THR 44 N 2.13 0.15 0.20 3.92 -4.23 -1.26 -5.07 115.64 111.48 1ssu s THR 44 Ca 0.02 -1.45 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 1ssu s THR 44 Cb -0.15 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 1ssu s THR 44 CO -0.08 -0.69 1.52 -0.09 -0.54 0.00 0.00 174.62 174.75 1ssu h ARG 45 N 2.85 0.53 0.00 3.99 2.43 -2.03 -3.48 114.38 118.66 1ssu h ARG 45 Ca -0.34 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 1ssu h ARG 45 Cb 1.19 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1ssu h ARG 45 CO 0.58 0.93 0.00 0.41 -1.51 0.00 0.00 179.97 180.38 1ssu n GLY 46 N 0.21 0.56 0.93 2.80 0.00 -1.26 -5.06 105.19 103.37 1ssu n GLY 46 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ssu n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ssu n ASP 47 N 0.00 1.28 -3.81 1.61 9.92 -1.26 -4.61 116.55 119.69 1ssu n ASP 47 Ca 0.00 -0.95 -0.30 0.00 -0.53 0.00 0.00 54.79 53.02 1ssu n ASP 47 Cb 0.00 -0.24 -0.14 0.00 -0.64 0.00 0.00 41.12 40.11 1ssu n ASP 47 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ssu s VAL 48 N 0.31 1.82 -0.05 2.53 1.01 -1.26 -5.00 120.40 119.76 1ssu s VAL 48 Ca 0.00 -2.75 0.28 0.00 0.00 0.00 0.00 61.98 59.51 1ssu s VAL 48 Cb 0.00 -2.28 0.29 0.00 0.00 0.00 0.00 36.38 34.39 1ssu s VAL 48 CO 0.00 -0.84 1.85 -0.26 0.00 0.00 0.00 175.10 175.86 1ssu h PHE 49 N 6.76 0.00 -0.00 5.22 0.04 -2.08 -2.86 116.94 124.02 1ssu h PHE 49 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1ssu h PHE 49 Cb 0.92 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1ssu h PHE 49 CO 0.49 0.00 -0.17 0.25 -0.60 0.00 0.00 178.31 178.28 1ssu n THR 50 N -2.51 0.00 0.00 -1.55 -2.24 -1.26 -5.30 114.28 101.42 1ssu n THR 50 Ca -0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ssu n THR 50 Cb 0.11 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1ssu n THR 50 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73