#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 0.37 -0.16 -0.67 0.74 -1.26 -5.11 119.66 113.57 1ssu s GLN 2 Ca 0.00 0.17 -0.07 0.00 0.05 0.00 0.00 55.36 55.51 1ssu s GLN 2 Cb 0.00 0.17 0.06 0.00 1.10 0.00 0.00 33.01 34.34 1ssu s GLN 2 CO 0.00 -0.07 0.36 -2.00 -0.55 0.00 0.00 175.29 173.03 1ssu s GLU 3 N -0.27 0.30 0.30 1.67 2.12 -1.26 -5.07 118.70 116.50 1ssu s GLU 3 Ca -0.04 0.78 0.06 0.00 0.36 0.00 0.00 54.97 56.14 1ssu s GLU 3 Cb -0.03 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.36 1ssu s GLU 3 CO 0.01 -0.20 0.23 -1.13 -0.54 0.00 0.00 175.26 173.63 1ssu n SER 4 N 4.65 -0.32 0.23 -1.70 3.41 -1.26 -1.76 113.62 116.88 1ssu n SER 4 Ca -0.18 -2.93 0.10 0.00 -0.26 0.00 0.00 58.87 55.61 1ssu n SER 4 Cb 0.53 1.38 0.56 0.00 -0.26 0.00 0.00 64.21 66.41 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 -3.65 2.56 -1.00 0.00 -0.14 -1.26 -0.99 119.74 115.26 1ssu s LYS 6 Ca -0.02 0.48 -0.01 0.00 -1.36 0.00 0.00 55.97 55.06 1ssu s LYS 6 Cb 0.06 -4.54 0.00 0.00 -1.68 0.00 0.00 37.83 31.67 1ssu s LYS 6 CO 0.19 -2.92 0.19 0.41 -0.76 0.00 0.00 175.35 172.45 1ssu n GLY 7 N 5.96 -0.09 0.00 -3.33 0.00 -1.26 -4.91 105.19 101.56 1ssu n GLY 7 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ssu n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ssu n ARG 8 N -2.46 0.00 -1.90 1.61 3.00 -0.16 -5.13 116.66 111.62 1ssu n ARG 8 Ca -0.11 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.41 1ssu n ARG 8 Cb 0.59 -0.38 0.03 0.00 0.00 0.00 0.00 32.46 32.70 1ssu n ARG 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ssu n THR 10 N -2.07 -0.47 0.24 0.00 -1.04 0.28 -4.90 114.28 106.34 1ssu n THR 10 Ca 0.11 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.26 1ssu n THR 10 Cb 0.52 -1.48 0.46 0.00 -1.82 0.00 0.00 70.33 68.00 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 -1.61 -3.49 114.58 110.78 1ssu h GLU 11 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1ssu h GLU 11 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1ssu h GLU 11 CO 0.30 0.06 0.00 0.41 0.07 0.00 0.00 179.01 179.85 1ssu n GLY 12 N 0.44 2.31 3.76 1.06 0.00 -1.26 -5.08 105.19 106.42 1ssu n GLY 12 Ca 0.02 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.49 3.24 -0.29 1.61 5.36 -1.26 -4.89 117.98 120.25 1ssu s PHE 13 Ca 0.00 1.51 -0.02 0.00 -0.96 0.00 0.00 56.93 57.45 1ssu s PHE 13 Cb 0.00 -3.54 0.19 0.00 -0.34 0.00 0.00 43.02 39.33 1ssu s PHE 13 CO 0.00 -1.40 0.80 1.21 -1.46 0.00 0.00 175.22 174.37 1ssu s ASN 14 N -0.58 -1.07 0.04 6.13 3.84 -1.26 -5.07 114.94 116.97 1ssu s ASN 14 Ca 0.48 0.20 0.06 0.00 0.21 0.00 0.00 52.86 53.81 1ssu s ASN 14 Cb -0.37 1.71 0.30 0.00 -0.55 0.00 0.00 41.25 42.34 1ssu s ASN 14 CO 0.48 -0.20 1.20 0.55 -2.79 0.00 0.00 177.10 176.34 1ssu n VAL 15 N 5.31 1.63 0.25 -5.21 3.14 -1.26 -1.05 118.33 121.14 1ssu n VAL 15 Ca 0.05 0.45 0.15 0.00 -2.96 0.00 0.00 64.34 62.03 1ssu n VAL 15 Cb 0.55 -1.39 0.50 0.00 -1.06 0.00 0.00 33.84 32.44 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 -4.06 6.55 3.58 -1.97 -3.46 116.42 117.05 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 0.07 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.19 1ssu h ASP 16 CO 0.00 0.04 0.45 -0.54 -2.88 0.00 0.00 179.24 176.31 1ssu s LYS 17 N -3.53 3.45 0.20 0.28 1.02 -0.21 -4.94 119.74 116.01 1ssu s LYS 17 Ca 0.03 1.67 0.21 0.00 0.02 0.00 0.00 55.97 57.89 1ssu s LYS 17 Cb 0.08 -2.11 0.89 0.00 -0.52 0.00 0.00 37.83 36.16 1ssu s LYS 17 CO 0.59 -0.78 1.64 1.63 -0.92 0.00 0.00 175.35 177.51 1ssu n LYS 18 N -1.08 0.14 -3.88 1.68 4.01 -1.26 -4.54 118.16 113.23 1ssu n LYS 18 Ca 0.10 0.40 -0.11 0.00 -0.51 0.00 0.00 58.31 58.19 1ssu n LYS 18 Cb 0.50 -1.78 -0.12 0.00 -0.51 0.00 0.00 35.03 33.12 1ssu n LYS 18 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ssu n GLN 20 N 2.42 4.18 -0.56 0.00 1.13 -0.61 -4.84 117.38 119.10 1ssu n GLN 20 Ca -0.17 -3.97 -0.06 0.00 -1.94 0.00 0.00 57.00 50.86 1ssu n GLN 20 Cb 0.58 -2.71 -0.08 0.00 0.11 0.00 0.00 30.24 28.13 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 2.30 0.53 0.33 0.00 1.47 -1.26 -0.55 116.67 119.49 1ssu s ASP 22 Ca 0.33 -1.37 0.25 0.00 1.18 0.00 0.00 52.55 52.93 1ssu s ASP 22 Cb 0.16 0.78 1.19 0.00 -0.34 0.00 0.00 42.92 44.71 1ssu s ASP 22 CO 0.00 -1.55 1.75 -0.33 0.68 0.00 0.00 175.17 175.72 1ssu h GLU 23 N 2.03 0.00 -0.07 2.11 5.08 -1.94 -3.24 114.58 118.56 1ssu h GLU 23 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 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 0.41 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.70 1ssu n LEU 24 N -2.35 2.03 -0.20 1.33 4.77 -1.26 -4.75 117.00 116.56 1ssu n LEU 24 Ca -0.00 -1.18 0.06 0.00 -0.03 0.00 0.00 56.01 54.85 1ssu n LEU 24 Cb 0.13 -0.04 0.33 0.00 -2.33 0.00 0.00 43.42 41.51 1ssu n LEU 24 CO 0.15 0.42 1.22 0.00 -1.33 0.00 0.00 177.39 177.86 1ssu n SER 26 N -4.48 0.00 0.03 0.00 7.64 -1.26 -0.73 113.62 114.81 1ssu n SER 26 Ca 0.11 0.21 0.11 0.00 1.01 0.00 0.00 58.87 60.32 1ssu n SER 26 Cb 0.21 -0.35 0.06 0.00 -1.01 0.00 0.00 64.21 63.12 1ssu n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ssu n TYR 27 N -1.35 0.26 0.00 1.43 9.36 -1.03 -4.47 117.16 121.36 1ssu n TYR 27 Ca 0.05 0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1ssu n TYR 27 Cb 0.12 -0.42 0.00 0.00 -0.63 0.00 0.00 39.34 38.40 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 -1.91 0.00 -0.77 2.98 4.01 -0.41 -5.03 117.16 116.03 1ssu n TYR 28 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1ssu n TYR 28 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.27 -0.53 -0.15 -0.72 1.13 0.09 -4.89 117.38 111.04 1ssu n GLN 29 Ca 0.00 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 1ssu n GLN 29 Cb 0.00 -4.12 0.06 0.00 0.11 0.00 0.00 30.24 26.29 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 -0.26 1.98 -4.61 1.08 3.41 -1.25 -4.98 113.62 108.97 1ssu n SER 30 Ca 0.00 -2.17 -0.31 0.00 -0.26 0.00 0.00 58.87 56.13 1ssu n SER 30 Cb 0.13 -0.53 0.16 0.00 -0.26 0.00 0.00 64.21 63.71 1ssu n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ssu n THR 33 N -2.96 0.91 -1.44 0.00 -2.24 -0.72 -3.26 114.28 104.57 1ssu n THR 33 Ca 0.12 0.32 0.01 0.00 -2.27 0.00 0.00 64.05 62.23 1ssu n THR 33 Cb 0.50 -1.24 0.01 0.00 -2.10 0.00 0.00 70.33 67.50 1ssu n THR 33 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ssu n ASP 34 N -2.14 0.30 -0.25 3.42 9.92 -1.26 -5.02 116.55 121.52 1ssu n ASP 34 Ca 0.02 -1.72 -0.07 0.00 -0.53 0.00 0.00 54.79 52.49 1ssu n ASP 34 Cb 0.19 -0.13 -0.06 0.00 -0.64 0.00 0.00 41.12 40.47 1ssu n ASP 34 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ssu n TYR 35 N -0.14 -0.26 0.94 1.24 9.36 -1.20 -0.64 117.16 126.45 1ssu n TYR 35 Ca 0.01 0.75 0.08 0.00 3.32 0.00 0.00 57.90 62.06 1ssu n TYR 35 Cb 0.60 -0.52 0.47 0.00 -0.63 0.00 0.00 39.34 39.25 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 -4.42 0.25 -0.00 2.97 -1.04 -1.26 -0.56 114.28 110.21 1ssu n THR 36 Ca 0.01 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1ssu n THR 36 Cb 0.16 -0.79 -0.00 0.00 -1.82 0.00 0.00 70.33 67.87 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 -1.14 2.01 0.04 2.41 0.00 -0.56 -4.87 120.51 118.40 1ssu n ALA 37 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1ssu n ALA 37 Cb 0.09 0.05 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 -1.64 0.00 0.00 0.00 -0.58 0.18 -4.90 120.64 113.71 1ssu n GLU 38 Ca -0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 1ssu n GLU 38 Cb 0.14 -0.34 0.65 0.00 -0.57 0.00 0.00 31.44 31.32 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 -1.18 0.00 -1.40 0.00 3.00 0.27 -4.23 118.16 114.62 1ssu n LYS 40 Ca 0.13 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.05 1ssu n LYS 40 Cb 0.27 -1.44 0.02 0.00 0.00 0.00 0.00 35.03 33.89 1ssu n LYS 40 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1ssu n PRO 41 N 7.29 0.36 -1.82 1.64 -0.02 -1.26 -4.95 135.00 136.24 1ssu n PRO 41 Ca 0.54 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 1ssu n PRO 41 Cb -0.03 -1.44 0.01 0.00 -0.02 0.00 0.00 33.50 32.02 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 -1.64 3.74 -0.35 -0.52 0.74 -1.26 -4.98 119.66 115.38 1ssu s GLN 42 Ca 0.64 2.41 0.13 0.00 0.05 0.00 0.00 55.36 58.59 1ssu s GLN 42 Cb -0.50 -2.69 0.45 0.00 1.10 0.00 0.00 33.01 31.38 1ssu s GLN 42 CO 0.59 -0.77 1.05 1.33 -0.55 0.00 0.00 175.29 176.93 1ssu n VAL 43 N -0.12 1.64 -0.94 1.34 0.24 -1.26 -5.10 118.33 114.13 1ssu n VAL 43 Ca 0.05 -3.80 -0.33 0.00 -2.04 0.00 0.00 64.34 58.22 1ssu n VAL 43 Cb 0.42 -0.09 0.13 0.00 -1.47 0.00 0.00 33.84 32.83 1ssu n VAL 43 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1ssu n THR 44 N -0.33 1.02 0.08 3.34 -1.04 -1.26 -4.91 114.28 111.19 1ssu n THR 44 Ca 0.22 -0.17 0.20 0.00 -2.04 0.00 0.00 64.05 62.26 1ssu n THR 44 Cb 0.78 -0.96 0.69 0.00 -1.82 0.00 0.00 70.33 69.02 1ssu n THR 44 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1ssu h ARG 45 N -1.25 0.00 0.00 -2.82 9.65 -1.99 -3.46 114.38 114.52 1ssu h ARG 45 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 1ssu h ARG 45 Cb 1.29 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 1ssu h ARG 45 CO 0.42 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.60 1ssu n GLY 46 N -1.49 1.01 0.55 2.80 0.00 -1.26 -4.99 105.19 101.82 1ssu n GLY 46 Ca 0.08 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 0.40 2.86 -3.69 1.61 5.75 -1.26 -4.99 116.55 117.23 1ssu n ASP 47 Ca 0.00 -2.10 -0.14 0.00 -0.01 0.00 0.00 54.79 52.54 1ssu n ASP 47 Cb 0.02 -0.22 -0.09 0.00 -1.03 0.00 0.00 41.12 39.80 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 -1.18 0.01 0.00 2.12 0.11 -1.26 -5.09 120.40 115.12 1ssu s VAL 48 Ca 0.21 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1ssu s VAL 48 Cb 0.12 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1ssu s VAL 48 CO 0.13 -0.05 0.44 0.49 -3.33 0.00 0.00 175.10 172.78 1ssu n PHE 49 N 2.31 0.00 1.67 1.54 3.72 -1.26 -4.82 117.46 120.61 1ssu n PHE 49 Ca -0.16 -0.04 0.14 0.00 -0.05 0.00 0.00 57.45 57.34 1ssu n PHE 49 Cb 0.57 -0.00 0.80 0.00 -0.94 0.00 0.00 39.48 39.90 1ssu n PHE 49 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1ssu n THR 50 N -0.04 0.02 -0.97 4.37 -2.24 -1.26 -5.27 114.28 108.89 1ssu n THR 50 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ssu n THR 50 Cb 0.42 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1ssu n THR 50 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30