#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 1.75 0.07 -1.24 0.00 -1.26 -5.05 119.66 113.94 1ssu s GLN 2 Ca 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 55.36 53.83 1ssu s GLN 2 Cb 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 33.01 33.43 1ssu s GLN 2 CO 0.00 -0.73 -0.05 -1.21 0.00 0.00 0.00 175.29 173.30 1ssu s GLU 3 N -3.43 0.68 0.25 9.60 2.02 -1.26 -5.02 118.70 121.53 1ssu s GLU 3 Ca 0.27 -1.20 -0.13 0.00 0.02 0.00 0.00 54.97 53.93 1ssu s GLU 3 Cb -0.00 -0.02 -0.00 0.00 0.10 0.00 0.00 34.13 34.21 1ssu s GLU 3 CO 0.15 -0.05 0.48 -1.54 0.02 0.00 0.00 175.26 174.31 1ssu s SER 4 N -2.78 -0.09 0.00 -0.19 1.04 -1.26 -4.78 113.70 105.63 1ssu s SER 4 Ca 0.06 -0.92 0.10 0.00 0.48 0.00 0.00 55.95 55.67 1ssu s SER 4 Cb 0.04 0.58 0.43 0.00 0.10 0.00 0.00 66.02 67.18 1ssu s SER 4 CO -0.06 -1.14 1.32 0.00 0.98 0.00 0.00 173.24 174.34 1ssu s LYS 6 N -2.99 2.57 -1.13 0.00 1.02 -1.26 -1.60 119.74 116.34 1ssu s LYS 6 Ca 0.05 0.95 0.00 0.00 0.02 0.00 0.00 55.97 56.99 1ssu s LYS 6 Cb 0.07 -4.42 0.00 0.00 -0.52 0.00 0.00 37.83 32.95 1ssu s LYS 6 CO 0.18 -2.78 0.00 0.41 -0.92 0.00 0.00 175.35 172.24 1ssu n GLY 7 N 5.76 0.06 0.00 -3.33 0.00 -1.26 -4.92 105.19 101.49 1ssu n GLY 7 Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.29 0.39 -1.54 1.61 1.74 -0.63 -5.09 116.66 110.86 1ssu n ARG 8 Ca -0.15 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.47 1ssu n ARG 8 Cb 0.59 -0.63 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 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 0.40 -0.02 0.26 0.00 -1.04 0.01 -4.97 114.28 108.92 1ssu n THR 10 Ca 0.13 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.25 1ssu n THR 10 Cb 0.28 -1.01 0.73 0.00 -1.82 0.00 0.00 70.33 68.51 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 -1.55 -3.49 114.58 110.83 1ssu h GLU 11 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 1ssu h GLU 11 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ssu h GLU 11 CO 0.20 0.09 0.00 0.41 0.07 0.00 0.00 179.01 179.78 1ssu n GLY 12 N -1.05 3.55 3.72 1.06 0.00 -1.26 -5.10 105.19 106.11 1ssu n GLY 12 Ca -0.02 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.47 3.74 -0.29 1.61 5.36 -1.26 -4.75 117.98 119.92 1ssu s PHE 13 Ca 0.00 1.69 0.04 0.00 -0.96 0.00 0.00 56.93 57.70 1ssu s PHE 13 Cb 0.00 -3.03 0.19 0.00 -0.34 0.00 0.00 43.02 39.84 1ssu s PHE 13 CO 0.00 0.14 0.56 1.21 -1.46 0.00 0.00 175.22 175.68 1ssu s ASN 14 N 0.34 -1.26 0.01 6.13 3.84 -1.26 -5.07 114.94 117.67 1ssu s ASN 14 Ca 0.47 0.27 0.15 0.00 0.21 0.00 0.00 52.86 53.95 1ssu s ASN 14 Cb -0.22 1.92 0.63 0.00 -0.55 0.00 0.00 41.25 43.03 1ssu s ASN 14 CO 0.28 -0.30 1.47 0.55 -2.79 0.00 0.00 177.10 176.31 1ssu n VAL 15 N 5.41 1.00 0.22 -5.21 3.14 -1.26 -2.61 118.33 119.02 1ssu n VAL 15 Ca 0.03 0.25 0.11 0.00 -2.96 0.00 0.00 64.34 61.77 1ssu n VAL 15 Cb 0.53 -1.01 0.28 0.00 -1.06 0.00 0.00 33.84 32.58 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 -3.83 6.55 3.58 -1.97 -3.47 116.42 117.27 1ssu h ASP 16 Ca 0.00 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 57.01 1ssu h ASP 16 Cb 0.25 0.00 0.17 0.00 1.72 0.00 0.00 39.33 41.47 1ssu h ASP 16 CO 0.00 0.12 0.22 -0.54 -2.88 0.00 0.00 179.24 176.16 1ssu s LYS 17 N -3.31 -0.02 0.22 0.28 1.02 -1.07 -5.00 119.74 111.85 1ssu s LYS 17 Ca 0.04 0.14 0.12 0.00 0.02 0.00 0.00 55.97 56.30 1ssu s LYS 17 Cb 0.07 -1.72 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 1ssu s LYS 17 CO 0.66 -2.95 1.37 0.87 -0.92 0.00 0.00 175.35 174.38 1ssu h LYS 18 N -2.04 0.00 -5.39 1.68 6.56 -1.91 -3.44 116.57 112.03 1ssu h LYS 18 Ca -0.49 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 58.64 1ssu h LYS 18 Cb 1.31 0.00 -0.25 0.00 -0.57 0.00 0.00 32.23 32.72 1ssu h LYS 18 CO 0.48 0.66 -0.80 0.00 -2.06 0.00 0.00 179.45 177.74 1ssu n GLN 20 N 1.87 4.28 -0.55 0.00 3.00 -1.24 -4.90 117.38 119.85 1ssu n GLN 20 Ca -0.18 -4.67 -0.06 0.00 -0.01 0.00 0.00 57.00 52.08 1ssu n GLN 20 Cb 0.55 -2.41 -0.09 0.00 0.00 0.00 0.00 30.24 28.29 1ssu n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ssu s ASP 22 N 2.42 1.20 0.00 0.00 1.47 -1.26 -0.81 116.67 119.69 1ssu s ASP 22 Ca 0.36 -1.59 0.22 0.00 1.18 0.00 0.00 52.55 52.71 1ssu s ASP 22 Cb 0.17 0.61 0.98 0.00 -0.34 0.00 0.00 42.92 44.34 1ssu s ASP 22 CO 0.00 -1.18 1.69 -0.62 0.68 0.00 0.00 175.17 175.74 1ssu n GLU 23 N -0.58 0.12 0.00 2.11 1.02 -1.26 -3.74 120.64 118.31 1ssu n GLU 23 Ca 0.04 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1ssu n GLU 23 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1ssu n GLU 23 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ssu n LEU 24 N -1.42 0.44 0.13 -4.62 4.77 -1.26 -4.82 117.00 110.23 1ssu n LEU 24 Ca 0.07 -0.72 0.08 0.00 -0.03 0.00 0.00 56.01 55.41 1ssu n LEU 24 Cb 0.22 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.88 1ssu n LEU 24 CO 0.19 0.11 1.12 0.00 -1.33 0.00 0.00 177.39 177.47 1ssu h SER 26 N 0.21 0.13 0.55 0.00 4.64 -1.87 -0.15 113.55 117.05 1ssu h SER 26 Ca 0.09 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1ssu h SER 26 Cb 0.09 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ssu h SER 26 CO -0.02 0.64 -0.01 0.22 -0.87 0.00 0.00 176.83 176.80 1ssu h TYR 27 N 0.09 0.00 -0.01 4.77 3.20 -1.89 -2.60 116.97 120.52 1ssu h TYR 27 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ssu h TYR 27 Cb 0.98 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1ssu h TYR 27 CO 0.01 0.01 -0.17 0.66 -1.64 0.00 0.00 178.16 177.03 1ssu n TYR 28 N -3.13 0.00 -3.54 -3.82 4.01 -0.75 -5.00 117.16 104.92 1ssu n TYR 28 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.47 1ssu n TYR 28 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.33 -3.22 0.00 -0.72 3.00 -0.14 -4.89 117.38 111.74 1ssu n GLN 29 Ca 0.08 0.42 0.06 0.00 -0.01 0.00 0.00 57.00 57.54 1ssu n GLN 29 Cb 0.36 -5.11 0.03 0.00 0.00 0.00 0.00 30.24 25.52 1ssu n GLN 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1ssu n SER 30 N -2.33 1.76 -4.46 1.08 3.41 -0.75 -5.01 113.62 107.32 1ssu n SER 30 Ca 0.01 -1.38 -0.34 0.00 -0.26 0.00 0.00 58.87 56.91 1ssu n SER 30 Cb 0.52 0.14 0.11 0.00 -0.26 0.00 0.00 64.21 64.73 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 0.38 0.33 0.00 0.00 2.02 -1.94 -1.21 112.91 112.49 1ssu h THR 33 Ca -0.41 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 1ssu h THR 33 Cb 1.42 0.85 -0.11 0.00 -1.74 0.00 0.00 68.15 68.57 1ssu h THR 33 CO 0.47 0.00 -0.60 0.47 0.37 0.00 0.00 175.52 176.23 1ssu n ASP 34 N -3.56 1.46 -0.26 4.18 8.00 -1.26 -4.95 116.55 120.16 1ssu n ASP 34 Ca 0.00 -3.13 -0.00 0.00 0.71 0.00 0.00 54.79 52.37 1ssu n ASP 34 Cb 0.28 -0.43 0.07 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.82 -0.59 0.00 1.24 3.20 -1.55 0.19 116.97 120.28 1ssu h TYR 35 Ca -0.07 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1ssu h TYR 35 Cb 1.29 0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.93 1ssu h TYR 35 CO 0.46 -0.35 0.00 1.79 -1.64 0.00 0.00 178.16 178.42 1ssu h THR 36 N -0.04 0.00 0.00 1.81 1.35 -1.93 0.16 112.91 114.27 1ssu h THR 36 Ca 0.34 -0.19 -0.07 0.00 -0.55 0.00 0.00 66.41 65.94 1ssu h THR 36 Cb 0.56 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1ssu h THR 36 CO -0.78 0.00 -1.65 0.00 -0.25 0.00 0.00 175.52 172.84 1ssu n ALA 37 N -1.81 2.21 0.01 6.62 0.00 -0.28 -4.72 120.51 122.53 1ssu n ALA 37 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1ssu n ALA 37 Cb 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.10 0.00 0.07 0.00 1.02 -0.10 -4.91 120.64 114.62 1ssu n GLU 38 Ca -0.08 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.11 1ssu n GLU 38 Cb 0.51 -0.49 -0.04 0.00 -0.02 0.00 0.00 31.44 31.41 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 -2.83 0.00 0.00 0.00 4.81 0.42 -4.68 118.16 115.88 1ssu n LYS 40 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1ssu n LYS 40 Cb 0.71 -1.13 0.00 0.00 0.02 0.00 0.00 35.03 34.63 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 6.39 0.08 -1.80 1.64 -0.04 -1.26 -5.02 135.00 134.99 1ssu n PRO 41 Ca 0.52 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.56 1ssu n PRO 41 Cb 0.03 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.48 1ssu n PRO 41 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1ssu s GLN 42 N -2.59 4.13 -0.26 0.54 0.74 -1.26 -4.95 119.66 116.02 1ssu s GLN 42 Ca 0.00 2.55 0.16 0.00 0.05 0.00 0.00 55.36 58.13 1ssu s GLN 42 Cb 0.00 -3.02 0.48 0.00 1.10 0.00 0.00 33.01 31.58 1ssu s GLN 42 CO 0.00 -0.59 1.15 1.33 -0.55 0.00 0.00 175.29 176.63 1ssu n VAL 43 N 1.80 1.74 -4.23 1.34 0.24 -1.26 -4.98 118.33 112.98 1ssu n VAL 43 Ca 0.06 -3.36 -0.14 0.00 -2.04 0.00 0.00 64.34 58.87 1ssu n VAL 43 Cb 0.38 0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 32.92 1ssu n VAL 43 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1ssu s THR 44 N -3.93 1.07 0.34 3.34 -4.23 -1.26 -5.18 115.64 105.79 1ssu s THR 44 Ca 0.37 -1.97 -0.09 0.00 -1.18 0.00 0.00 61.69 58.83 1ssu s THR 44 Cb 0.36 -1.74 0.02 0.00 1.34 0.00 0.00 72.50 72.49 1ssu s THR 44 CO -0.02 -0.73 0.60 0.00 -0.54 0.00 0.00 174.62 173.93 1ssu s ARG 45 N -3.58 1.98 0.00 3.99 1.04 -1.26 -5.07 118.95 116.06 1ssu s ARG 45 Ca 0.14 -1.56 0.00 0.00 -1.04 0.00 0.00 55.73 53.27 1ssu s ARG 45 Cb 0.02 0.52 0.00 0.00 -2.04 0.00 0.00 34.95 33.45 1ssu s ARG 45 CO -0.00 -0.87 0.00 0.41 -0.04 0.00 0.00 175.30 174.80 1ssu n GLY 46 N -0.53 -0.90 0.29 3.88 0.00 -1.26 -5.02 105.19 101.66 1ssu n GLY 46 Ca -0.03 0.28 0.01 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.85 0.22 -3.64 1.61 2.03 -1.26 -5.09 116.55 109.58 1ssu n ASP 47 Ca 0.00 -1.75 -0.15 0.00 0.52 0.00 0.00 54.79 53.42 1ssu n ASP 47 Cb 0.00 -0.14 -0.07 0.00 -0.72 0.00 0.00 41.12 40.19 1ssu n ASP 47 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ssu s VAL 48 N -0.22 0.04 0.00 5.18 0.11 -1.26 -5.09 120.40 119.15 1ssu s VAL 48 Ca 0.02 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1ssu s VAL 48 Cb 0.02 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1ssu s VAL 48 CO 0.00 -0.16 0.06 0.49 -3.33 0.00 0.00 175.10 172.16 1ssu n PHE 49 N 0.87 0.00 0.22 1.54 3.72 -1.26 -4.77 117.46 117.78 1ssu n PHE 49 Ca -0.20 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.29 1ssu n PHE 49 Cb 0.58 0.00 0.47 0.00 -0.94 0.00 0.00 39.48 39.58 1ssu n PHE 49 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1ssu h THR 50 N 0.23 0.67 0.00 4.37 1.35 -2.02 -3.54 112.91 113.97 1ssu h THR 50 Ca 0.00 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 1ssu h THR 50 Cb 0.11 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1ssu h THR 50 CO 0.00 0.25 0.00 0.23 -0.25 0.00 0.00 175.52 175.75