#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 0.67 0.83 0.11 1.11 -1.26 -5.17 119.66 115.95 1ssu s GLN 2 Ca 0.00 -1.14 -0.11 0.00 0.01 0.00 0.00 55.36 54.12 1ssu s GLN 2 Cb 0.00 0.24 0.09 0.00 -1.01 0.00 0.00 33.01 32.34 1ssu s GLN 2 CO 0.00 -0.15 1.09 -1.21 0.01 0.00 0.00 175.29 175.03 1ssu s GLU 3 N -3.88 1.78 0.33 2.91 2.02 -1.26 -5.10 118.70 115.51 1ssu s GLU 3 Ca 0.06 0.99 -0.03 0.00 0.02 0.00 0.00 54.97 56.01 1ssu s GLU 3 Cb 0.07 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.45 1ssu s GLU 3 CO -0.10 -1.92 0.47 -1.54 0.02 0.00 0.00 175.26 172.18 1ssu s SER 4 N -3.42 0.82 0.00 -0.19 1.04 -1.26 -5.05 113.70 105.63 1ssu s SER 4 Ca 0.62 -1.44 0.15 0.00 0.48 0.00 0.00 55.95 55.76 1ssu s SER 4 Cb -0.17 0.65 0.65 0.00 0.10 0.00 0.00 66.02 67.25 1ssu s SER 4 CO 0.56 -1.28 1.47 0.00 0.98 0.00 0.00 173.24 174.97 1ssu s LYS 6 N -2.96 2.70 0.00 0.00 1.02 -1.26 -0.37 119.74 118.87 1ssu s LYS 6 Ca 0.08 0.69 0.00 0.00 0.02 0.00 0.00 55.97 56.76 1ssu s LYS 6 Cb 0.10 -4.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.04 1ssu s LYS 6 CO 0.27 -2.64 0.00 0.41 -0.92 0.00 0.00 175.35 172.47 1ssu n GLY 7 N 5.67 1.04 0.00 -3.33 0.00 -1.26 -4.99 105.19 102.31 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 -1.47 0.25 -1.27 1.61 1.74 0.50 -5.13 116.66 112.89 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 -0.67 -0.02 0.00 -1.02 0.00 0.00 32.46 30.75 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 -0.41 -1.20 0.24 0.00 -2.24 -0.00 -4.98 114.28 105.69 1ssu n THR 10 Ca 0.14 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.09 1ssu n THR 10 Cb 0.29 -2.45 0.87 0.00 -2.10 0.00 0.00 70.33 66.94 1ssu n THR 10 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ssu h GLU 11 N -1.01 0.00 -0.06 -0.78 4.39 -1.49 -3.48 114.58 112.15 1ssu h GLU 11 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1ssu h GLU 11 Cb 1.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1ssu h GLU 11 CO 0.26 0.00 -0.02 0.41 -1.16 0.00 0.00 179.01 178.50 1ssu n GLY 12 N -1.37 -2.71 3.69 -3.84 0.00 -1.26 -4.94 105.19 94.76 1ssu n GLY 12 Ca -0.00 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.48 2.85 -0.48 1.61 5.36 -1.26 -4.84 117.98 117.74 1ssu s PHE 13 Ca 0.00 0.78 0.06 0.00 -0.96 0.00 0.00 56.93 56.81 1ssu s PHE 13 Cb 0.00 -3.69 0.18 0.00 -0.34 0.00 0.00 43.02 39.17 1ssu s PHE 13 CO 0.00 -2.58 0.61 1.21 -1.46 0.00 0.00 175.22 173.00 1ssu s ASN 14 N 1.86 -0.61 0.25 6.13 3.84 -1.26 -5.06 114.94 120.09 1ssu s ASN 14 Ca 0.65 -2.02 0.14 0.00 0.21 0.00 0.00 52.86 51.84 1ssu s ASN 14 Cb -0.33 1.25 0.76 0.00 -0.55 0.00 0.00 41.25 42.38 1ssu s ASN 14 CO 0.27 -0.10 1.37 0.55 -2.79 0.00 0.00 177.10 176.41 1ssu n VAL 15 N 3.06 1.05 0.26 -5.21 3.14 -1.26 -1.15 118.33 118.22 1ssu n VAL 15 Ca 0.20 0.69 0.14 0.00 -2.96 0.00 0.00 64.34 62.41 1ssu n VAL 15 Cb 0.53 -1.69 0.69 0.00 -1.06 0.00 0.00 33.84 32.32 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 -2.78 6.55 3.58 -1.99 -3.47 116.42 118.31 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 0.23 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 1ssu h ASP 16 CO 0.00 0.10 -0.25 -0.54 -2.88 0.00 0.00 179.24 175.67 1ssu s LYS 17 N -3.88 3.51 0.52 0.28 -0.14 -0.30 -5.02 119.74 114.70 1ssu s LYS 17 Ca -0.01 -0.35 0.25 0.00 -1.36 0.00 0.00 55.97 54.50 1ssu s LYS 17 Cb 0.11 -2.74 1.45 0.00 -1.68 0.00 0.00 37.83 34.98 1ssu s LYS 17 CO 0.57 0.26 2.11 -0.22 -0.76 0.00 0.00 175.35 177.30 1ssu h LYS 18 N 1.25 0.00 -4.12 1.68 1.63 -1.91 -3.40 116.57 111.70 1ssu h LYS 18 Ca -0.49 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 58.96 1ssu h LYS 18 Cb 1.21 0.00 -0.31 0.00 -0.60 0.00 0.00 32.23 32.53 1ssu h LYS 18 CO 0.64 0.10 -0.76 0.00 -3.45 0.00 0.00 179.45 175.98 1ssu n GLN 20 N 3.45 4.39 -1.13 0.00 1.13 -1.06 -4.89 117.38 119.27 1ssu n GLN 20 Ca -0.19 -4.07 -0.20 0.00 -1.94 0.00 0.00 57.00 50.60 1ssu n GLN 20 Cb 0.55 -2.65 -0.13 0.00 0.11 0.00 0.00 30.24 28.12 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 1.85 0.49 0.60 0.00 -4.77 -1.26 -0.82 116.67 112.76 1ssu s ASP 22 Ca 0.67 -1.29 0.35 0.00 -3.30 0.00 0.00 52.55 48.97 1ssu s ASP 22 Cb 0.29 0.63 1.94 0.00 -1.09 0.00 0.00 42.92 44.69 1ssu s ASP 22 CO -0.03 -1.23 2.25 -0.33 0.70 0.00 0.00 175.17 176.52 1ssu h GLU 23 N 2.19 0.00 -0.02 2.11 5.08 -1.88 -3.03 114.58 119.02 1ssu h GLU 23 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 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 0.02 -0.16 1.28 -1.00 0.00 0.00 179.01 179.55 1ssu n LEU 24 N -3.51 2.58 0.31 1.33 4.77 -1.26 -4.72 117.00 116.49 1ssu n LEU 24 Ca -0.03 -0.92 0.19 0.00 -0.03 0.00 0.00 56.01 55.23 1ssu n LEU 24 Cb 0.12 0.00 1.04 0.00 -2.33 0.00 0.00 43.42 42.25 1ssu n LEU 24 CO 0.25 0.45 1.16 0.00 -1.33 0.00 0.00 177.39 177.92 1ssu h SER 26 N 0.00 0.00 0.58 0.00 0.87 -1.87 -1.00 113.55 112.13 1ssu h SER 26 Ca 0.01 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1ssu h SER 26 Cb 0.17 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1ssu h SER 26 CO -0.00 0.48 -0.48 0.22 -0.53 0.00 0.00 176.83 176.52 1ssu h TYR 27 N 0.00 0.00 0.00 2.24 3.20 -1.62 -3.23 116.97 117.56 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 1.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1ssu h TYR 27 CO 0.00 0.48 -0.01 2.48 -1.64 0.00 0.00 178.16 179.47 1ssu n TYR 28 N -3.83 0.00 -4.09 -3.82 0.18 -1.24 -5.06 117.16 99.30 1ssu n TYR 28 Ca -0.01 -0.66 -0.28 0.00 1.88 0.00 0.00 57.90 58.82 1ssu n TYR 28 Cb 0.52 -0.08 -0.04 0.00 -0.38 0.00 0.00 39.34 39.35 1ssu n TYR 28 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 1ssu n GLN 29 N -0.82 -2.60 -0.50 -3.48 3.00 -0.40 -4.90 117.38 107.68 1ssu n GLN 29 Ca 0.06 0.31 0.05 0.00 -0.01 0.00 0.00 57.00 57.41 1ssu n GLN 29 Cb 0.40 -4.34 0.08 0.00 0.00 0.00 0.00 30.24 26.38 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 -2.92 1.17 -4.58 1.08 7.64 -1.07 -5.05 113.62 109.90 1ssu n SER 30 Ca -0.27 -2.62 -0.29 0.00 1.01 0.00 0.00 58.87 56.70 1ssu n SER 30 Cb 0.67 -0.33 0.21 0.00 -1.01 0.00 0.00 64.21 63.74 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 -0.51 0.04 -0.25 0.00 1.35 -1.96 -2.10 112.91 109.48 1ssu h THR 33 Ca -0.45 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.20 1ssu h THR 33 Cb 1.35 0.80 -0.37 0.00 -1.73 0.00 0.00 68.15 68.19 1ssu h THR 33 CO 0.40 0.00 -1.02 -0.67 -0.25 0.00 0.00 175.52 173.97 1ssu n ASP 34 N -3.03 1.13 -0.27 5.36 2.03 -1.26 -5.02 116.55 115.49 1ssu n ASP 34 Ca -0.02 -2.02 -0.02 0.00 0.52 0.00 0.00 54.79 53.25 1ssu n ASP 34 Cb 0.27 -0.33 0.02 0.00 -0.72 0.00 0.00 41.12 40.35 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 -0.26 -0.02 0.40 -0.67 9.36 -0.79 -1.00 117.16 124.17 1ssu n TYR 35 Ca 0.04 0.85 0.07 0.00 3.32 0.00 0.00 57.90 62.18 1ssu n TYR 35 Cb 0.92 -0.73 0.31 0.00 -0.63 0.00 0.00 39.34 39.21 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 -5.00 1.11 0.00 2.97 -1.04 -1.26 -0.62 114.28 110.44 1ssu n THR 36 Ca 0.06 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 1ssu n THR 36 Cb 0.26 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 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 -1.56 1.98 -0.02 2.41 0.00 -0.48 -4.64 120.51 118.20 1ssu n ALA 37 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1ssu n ALA 37 Cb 0.15 0.26 -0.14 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 -2.01 0.67 0.00 0.00 -0.58 -0.17 -4.76 120.64 113.79 1ssu n GLU 38 Ca 0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1ssu n GLU 38 Cb 0.49 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 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 -1.87 0.00 0.00 0.00 4.81 0.21 -4.82 118.16 116.49 1ssu n LYS 40 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ssu n LYS 40 Cb 0.41 -0.08 0.00 0.00 0.02 0.00 0.00 35.03 35.39 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 0.43 0.21 -1.64 1.64 -0.04 -1.26 -5.01 135.00 129.34 1ssu n PRO 41 Ca 0.05 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.05 1ssu n PRO 41 Cb 0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.44 1ssu n PRO 41 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ssu n GLN 42 N -0.75 1.72 -2.12 0.54 7.27 -1.26 -4.93 117.38 117.85 1ssu n GLN 42 Ca 0.00 0.61 -0.01 0.00 0.07 0.00 0.00 57.00 57.67 1ssu n GLN 42 Cb 0.00 -2.20 0.05 0.00 2.41 0.00 0.00 30.24 30.50 1ssu n GLN 42 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1ssu n VAL 43 N 1.65 1.12 -0.70 1.69 3.14 -1.26 -4.81 118.33 119.17 1ssu n VAL 43 Ca 0.12 -2.52 -0.30 0.00 -2.96 0.00 0.00 64.34 58.69 1ssu n VAL 43 Cb 0.29 0.76 0.19 0.00 -1.06 0.00 0.00 33.84 34.02 1ssu n VAL 43 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1ssu s THR 44 N -2.67 2.15 0.81 1.55 -4.23 -1.26 -5.01 115.64 106.98 1ssu s THR 44 Ca 0.33 0.05 -0.14 0.00 -1.18 0.00 0.00 61.69 60.75 1ssu s THR 44 Cb 0.36 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 72.08 1ssu s THR 44 CO -0.07 -0.06 0.71 -2.11 -0.54 0.00 0.00 174.62 172.54 1ssu n ARG 45 N -4.43 0.11 0.00 3.99 1.85 -1.26 -4.94 116.66 111.98 1ssu n ARG 45 Ca 0.08 0.09 0.15 0.00 -1.00 0.00 0.00 57.85 57.18 1ssu n ARG 45 Cb 0.53 -2.03 0.86 0.00 -1.05 0.00 0.00 32.46 30.77 1ssu n ARG 45 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ssu n GLY 46 N 1.27 -1.12 0.00 2.89 0.00 -1.26 -3.95 105.19 103.01 1ssu n GLY 46 Ca 0.10 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.12 0.00 -4.05 1.61 2.03 -1.26 -4.78 116.55 108.98 1ssu n ASP 47 Ca 0.20 -0.92 -0.07 0.00 0.52 0.00 0.00 54.79 54.51 1ssu n ASP 47 Cb 0.17 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.48 1ssu n ASP 47 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ssu s VAL 48 N -2.00 0.20 0.00 5.18 -7.23 -1.25 -5.09 120.40 110.21 1ssu s VAL 48 Ca 0.23 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1ssu s VAL 48 Cb 0.11 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.63 1ssu s VAL 48 CO 0.18 -0.92 0.93 0.33 -0.31 0.00 0.00 175.10 175.31 1ssu n PHE 49 N 0.17 0.00 -1.75 2.82 7.35 -1.26 -5.02 117.46 119.76 1ssu n PHE 49 Ca -0.15 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.12 1ssu n PHE 49 Cb 0.61 -0.03 -0.03 0.00 0.35 0.00 0.00 39.48 40.38 1ssu n PHE 49 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1ssu s THR 50 N 0.00 3.16 0.00 -2.13 2.01 -1.26 -5.26 115.64 112.16 1ssu s THR 50 Ca 0.00 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1ssu s THR 50 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1ssu s THR 50 CO 0.00 -0.03 0.00 0.23 -0.69 0.00 0.00 174.62 174.13