#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tus h ALA 2 N 0.00 1.21 -3.33 -1.18 0.00 -2.05 -3.30 119.26 110.61 1tus h ALA 2 Ca 0.00 -0.13 -0.68 0.00 0.00 0.00 0.00 54.91 54.10 1tus h ALA 2 Cb 0.00 -0.02 -0.37 0.00 0.00 0.00 0.00 17.79 17.40 1tus h ALA 2 CO 0.00 0.17 -0.58 0.00 0.00 0.00 0.00 179.25 178.84 1tus s ALA 3 N -4.06 3.16 -0.53 0.00 0.00 -1.26 -5.00 121.76 114.06 1tus s ALA 3 Ca -0.02 -2.72 -0.03 0.00 0.00 0.00 0.00 51.96 49.19 1tus s ALA 3 Cb 0.12 -2.30 0.14 0.00 0.00 0.00 0.00 23.12 21.09 1tus s ALA 3 CO 0.59 -1.84 0.34 0.14 0.00 0.00 0.00 175.76 175.00 1tus s VAL 4 N 0.75 3.54 0.51 0.00 -7.23 -1.25 -5.07 120.40 111.65 1tus s VAL 4 Ca 0.11 -2.58 0.02 0.00 -1.81 0.00 0.00 61.98 57.72 1tus s VAL 4 Cb -0.22 -3.35 -0.00 0.00 0.56 0.00 0.00 36.38 33.36 1tus s VAL 4 CO -0.05 -0.80 0.10 -0.94 -0.31 0.00 0.00 175.10 173.10 1tus s SER 5 N 1.17 4.24 -0.18 4.85 1.04 -1.26 -4.76 113.70 118.80 1tus s SER 5 Ca 0.13 -1.54 -0.08 0.00 0.48 0.00 0.00 55.95 54.94 1tus s SER 5 Cb -0.21 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.42 1tus s SER 5 CO -0.04 -0.89 0.41 -0.69 0.98 0.00 0.00 173.24 173.01 1tus s VAL 6 N -2.84 -0.20 -0.36 5.02 1.01 -1.26 -5.09 120.40 116.68 1tus s VAL 6 Ca 0.14 0.12 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 1tus s VAL 6 Cb 0.01 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1tus s VAL 6 CO 0.08 0.05 0.76 -0.62 0.00 0.00 0.00 175.10 175.37 1tus s ASP 7 N 1.75 6.55 -0.15 3.32 2.15 -1.26 -4.89 116.67 124.13 1tus s ASP 7 Ca -0.07 0.36 0.23 0.00 0.43 0.00 0.00 52.55 53.51 1tus s ASP 7 Cb -0.09 -2.39 0.47 0.00 -0.30 0.00 0.00 42.92 40.61 1tus s ASP 7 CO -0.13 -0.70 1.14 0.00 -0.17 0.00 0.00 175.17 175.31 1tus n SER 9 N -0.15 8.08 0.00 0.00 2.88 -1.26 -3.14 113.62 120.03 1tus n SER 9 Ca 0.08 -3.12 0.00 0.00 -1.33 0.00 0.00 58.87 54.50 1tus n SER 9 Cb 0.95 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1tus n SER 9 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1tus n GLU 10 N 1.78 0.00 -0.67 -1.46 0.00 -1.26 -5.13 120.64 113.90 1tus n GLU 10 Ca 0.63 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 57.48 1tus n GLU 10 Cb 0.25 0.00 0.17 0.00 0.00 0.00 0.00 31.44 31.86 1tus n GLU 10 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1tus s TYR 11 N -0.18 1.57 0.39 4.31 2.02 -1.19 -4.62 117.35 119.65 1tus s TYR 11 Ca 0.00 1.78 -0.23 0.00 -0.37 0.00 0.00 57.07 58.24 1tus s TYR 11 Cb 0.00 -3.34 -0.10 0.00 -0.40 0.00 0.00 41.96 38.12 1tus s TYR 11 CO 0.00 -2.90 0.97 -1.25 -1.57 0.00 0.00 175.55 170.79 1tus s PRO 12 N -4.63 4.34 1.10 -1.71 0.04 -1.26 -4.87 135.00 128.00 1tus s PRO 12 Ca 0.67 1.26 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 1tus s PRO 12 Cb -0.23 -2.46 0.25 0.00 0.04 0.00 0.00 34.50 32.10 1tus s PRO 12 CO 0.58 0.05 1.21 0.15 0.04 0.00 0.00 177.00 179.03 1tus s LYS 13 N -2.66 -0.44 -0.18 4.56 1.02 -1.26 -5.03 119.74 115.74 1tus s LYS 13 Ca 0.57 -0.24 -0.16 0.00 0.02 0.00 0.00 55.97 56.16 1tus s LYS 13 Cb -0.15 -1.70 -0.12 0.00 -0.52 0.00 0.00 37.83 35.34 1tus s LYS 13 CO 0.19 -3.16 0.02 -0.35 -0.92 0.00 0.00 175.35 171.13 1tus n PRO 14 N -4.33 0.52 -3.76 -1.68 -0.05 -1.26 -5.05 135.00 119.39 1tus n PRO 14 Ca 0.14 0.54 -0.13 0.00 -0.05 0.00 0.00 63.50 64.00 1tus n PRO 14 Cb 0.59 -1.71 -0.11 0.00 -0.05 0.00 0.00 33.50 32.22 1tus n PRO 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1tus s ALA 15 N -2.53 -0.76 0.28 0.55 0.00 -1.26 -5.16 121.76 112.89 1tus s ALA 15 Ca -0.24 0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1tus s ALA 15 Cb 0.05 -0.55 -0.06 0.00 0.00 0.00 0.00 23.12 22.56 1tus s ALA 15 CO 0.43 -0.16 0.05 0.00 0.00 0.00 0.00 175.76 176.08 1tus n THR 17 N -0.55 0.00 -3.43 0.00 -1.04 -1.26 -5.07 114.28 102.94 1tus n THR 17 Ca -0.02 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.84 1tus n THR 17 Cb 0.66 -0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.06 1tus n THR 17 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1tus s LEU 18 N -3.04 -0.31 0.00 -4.42 0.20 -1.26 -4.31 118.68 105.54 1tus s LEU 18 Ca 0.00 -0.15 0.00 0.00 0.69 0.00 0.00 54.13 54.67 1tus s LEU 18 Cb 0.00 0.65 0.00 0.00 -0.43 0.00 0.00 46.19 46.41 1tus s LEU 18 CO 0.00 -0.33 0.00 -0.62 -0.29 0.00 0.00 176.35 175.11 1tus n GLU 19 N 5.33 3.29 -0.12 1.98 1.02 -1.26 -5.19 120.64 125.70 1tus n GLU 19 Ca -0.04 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.85 1tus n GLU 19 Cb 0.49 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.80 1tus n GLU 19 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1tus n TYR 20 N 0.00 0.69 -1.65 -0.32 9.36 -1.26 -4.55 117.16 119.43 1tus n TYR 20 Ca 0.00 0.30 -0.43 0.00 3.32 0.00 0.00 57.90 61.09 1tus n TYR 20 Cb 0.00 -1.07 -0.00 0.00 -0.63 0.00 0.00 39.34 37.64 1tus n TYR 20 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1tus n ARG 21 N -4.38 1.78 -3.87 2.98 1.85 -1.26 -3.96 116.66 109.80 1tus n ARG 21 Ca -0.39 0.63 -0.28 0.00 -1.00 0.00 0.00 57.85 56.81 1tus n ARG 21 Cb 0.75 -2.15 -0.03 0.00 -1.05 0.00 0.00 32.46 29.97 1tus n ARG 21 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1tus s PRO 22 N -1.84 3.47 0.00 2.89 0.04 -1.22 -4.25 135.00 134.08 1tus s PRO 22 Ca 0.58 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.14 1tus s PRO 22 Cb -0.60 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1tus s PRO 22 CO 0.60 0.51 0.00 1.28 0.04 0.00 0.00 177.00 179.44 1tus n LEU 23 N -0.35 0.00 -4.07 -3.56 4.32 -0.98 -0.71 117.00 111.65 1tus n LEU 23 Ca -0.06 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.61 1tus n LEU 23 Cb 0.53 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.17 1tus n LEU 23 CO 0.49 -0.01 -0.49 0.00 -1.22 0.00 0.00 177.39 176.16 1tus s GLY 25 N 1.29 2.53 -0.61 0.00 0.00 -0.49 -2.12 107.32 107.92 1tus s GLY 25 Ca 0.01 1.00 -0.02 0.00 0.00 0.00 0.00 44.72 45.71 1tus s GLY 25 CO -0.10 1.42 2.03 -1.26 0.00 0.00 0.00 173.10 175.19 1tus n SER 26 N -2.42 7.42 -0.04 1.64 2.88 -0.52 -3.97 113.62 118.60 1tus n SER 26 Ca 0.14 -3.67 -0.09 0.00 -1.33 0.00 0.00 58.87 53.92 1tus n SER 26 Cb 0.49 -0.99 -0.03 0.00 -0.75 0.00 0.00 64.21 62.93 1tus n SER 26 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1tus n ASP 27 N -0.73 0.98 0.00 -3.46 5.75 -1.26 -4.75 116.55 113.08 1tus n ASP 27 Ca 0.58 0.09 0.00 0.00 -0.01 0.00 0.00 54.79 55.45 1tus n ASP 27 Cb 0.67 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1tus n ASP 27 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1tus n ASN 28 N -3.32 0.00 -4.60 -1.12 2.04 -1.26 -5.15 115.26 101.85 1tus n ASN 28 Ca -0.17 0.00 -0.24 0.00 -0.44 0.00 0.00 54.58 53.72 1tus n ASN 28 Cb 0.63 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.80 1tus n ASN 28 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 1tus s LYS 29 N -0.12 2.14 0.11 -3.83 -2.85 -1.26 -5.03 119.74 108.90 1tus s LYS 29 Ca 0.00 -1.41 -0.30 0.00 -1.00 0.00 0.00 55.97 53.26 1tus s LYS 29 Cb 0.00 -2.12 -0.06 0.00 -2.06 0.00 0.00 37.83 33.59 1tus s LYS 29 CO 0.00 0.39 1.07 0.99 0.10 0.00 0.00 175.35 177.89 1tus s THR 30 N -2.13 4.22 -0.08 3.79 2.01 -1.26 -1.40 115.64 120.78 1tus s THR 30 Ca 0.29 1.76 -0.11 0.00 0.31 0.00 0.00 61.69 63.94 1tus s THR 30 Cb -0.07 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 1tus s THR 30 CO 0.18 0.23 0.26 -0.31 -0.69 0.00 0.00 174.62 174.29 1tus s TYR 31 N 0.31 3.62 0.00 4.92 2.02 -0.94 -4.83 117.35 122.45 1tus s TYR 31 Ca 0.51 0.71 -0.01 0.00 -0.37 0.00 0.00 57.07 57.91 1tus s TYR 31 Cb -0.27 -2.14 -0.00 0.00 -0.40 0.00 0.00 41.96 39.15 1tus s TYR 31 CO 0.31 0.61 0.91 0.78 -1.57 0.00 0.00 175.55 176.59 1tus h GLY 32 N 5.21 -0.03 -2.38 0.71 0.00 -1.87 -2.61 103.07 102.10 1tus h GLY 32 Ca -0.51 0.01 -0.38 0.00 0.00 0.00 0.00 47.33 46.45 1tus h GLY 32 CO 0.63 -0.01 -0.64 0.54 0.00 0.00 0.00 176.54 177.06 1tus s ASN 33 N -2.15 1.68 0.27 0.19 4.22 -1.25 -3.43 114.94 114.46 1tus s ASN 33 Ca -0.00 -1.28 0.19 0.00 -2.14 0.00 0.00 52.86 49.62 1tus s ASN 33 Cb 0.00 0.05 0.99 0.00 1.28 0.00 0.00 41.25 43.57 1tus s ASN 33 CO 0.01 -0.59 1.57 1.17 -2.04 0.00 0.00 177.10 177.22 1tus n LYS 34 N -0.45 0.12 0.17 3.55 4.81 -1.26 -1.54 118.16 123.56 1tus n LYS 34 Ca -0.03 0.60 -0.08 0.00 -0.87 0.00 0.00 58.31 57.92 1tus n LYS 34 Cb 0.65 -1.88 -0.04 0.00 0.02 0.00 0.00 35.03 33.78 1tus n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1tus h ASN 36 N -1.13 0.00 0.34 0.00 2.35 -1.76 -0.27 115.58 115.12 1tus h ASN 36 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1tus h ASN 36 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1tus h ASN 36 CO 0.09 0.04 -0.17 0.15 -1.65 0.00 0.00 177.43 175.89 1tus h PHE 37 N 0.00 -0.43 -0.10 1.19 3.57 -1.22 -3.13 116.94 116.82 1tus h PHE 37 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1tus h PHE 37 Cb 0.09 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1tus h PHE 37 CO 0.00 -0.27 -0.26 0.00 -2.23 0.00 0.00 178.31 175.55 1tus h ASN 39 N 0.16 0.00 0.56 0.00 7.08 -1.53 -0.60 115.58 121.25 1tus h ASN 39 Ca 0.02 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.17 1tus h ASN 39 Cb 0.55 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.78 1tus h ASN 39 CO 0.04 0.23 -0.37 0.00 -2.08 0.00 0.00 177.43 175.25 1tus h ALA 40 N 1.77 1.18 -0.00 4.14 0.00 -1.19 -2.42 119.26 122.75 1tus h ALA 40 Ca -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1tus h ALA 40 Cb 0.79 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1tus h ALA 40 CO 0.03 0.47 -0.46 0.28 0.00 0.00 0.00 179.25 179.57 1tus h VAL 41 N 0.00 1.48 -0.18 0.00 2.07 -0.65 -1.76 116.25 117.21 1tus h VAL 41 Ca -0.00 -2.03 -0.15 0.00 0.82 0.00 0.00 66.70 65.34 1tus h VAL 41 Cb 0.75 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1tus h VAL 41 CO 0.05 0.58 -0.51 -0.37 0.02 0.00 0.00 177.57 177.34 1tus h VAL 42 N -0.27 1.32 -0.36 2.57 -1.51 -1.07 -0.03 116.25 116.90 1tus h VAL 42 Ca -0.06 -1.75 -0.01 0.00 -1.23 0.00 0.00 66.70 63.66 1tus h VAL 42 Cb 1.19 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 32.08 1tus h VAL 42 CO 0.09 0.54 0.19 -0.33 -1.23 0.00 0.00 177.57 176.83 1tus h GLU 43 N 0.38 0.49 -0.29 5.19 3.07 -1.47 -2.80 114.58 119.14 1tus h GLU 43 Ca 0.01 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.65 1tus h GLU 43 Cb 1.03 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1tus h GLU 43 CO 0.09 0.37 -0.52 1.03 -1.40 0.00 0.00 179.01 178.59 1tus h SER 44 N 0.50 0.94 -1.00 1.42 0.87 -0.09 -3.47 113.55 112.72 1tus h SER 44 Ca 0.13 -0.49 -0.23 0.00 -1.23 0.00 0.00 61.79 59.97 1tus h SER 44 Cb 0.03 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 61.66 1tus h SER 44 CO -0.02 1.28 -0.25 -3.20 -0.53 0.00 0.00 176.83 174.11 1tus n ASN 45 N -4.01 -4.10 -0.37 6.23 5.15 -0.76 -3.70 115.26 113.70 1tus n ASN 45 Ca -0.04 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1tus n ASN 45 Cb 0.61 -2.91 0.00 0.00 -0.53 0.00 0.00 39.78 36.95 1tus n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1tus n GLY 46 N -1.34 0.93 0.12 8.20 0.00 -1.21 -4.98 105.19 106.91 1tus n GLY 46 Ca -0.12 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 1tus n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1tus n THR 47 N -1.65 1.42 0.00 2.61 5.66 -1.24 -4.79 114.28 116.28 1tus n THR 47 Ca 0.00 -0.57 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 1tus n THR 47 Cb 0.35 -1.30 0.00 0.00 -1.55 0.00 0.00 70.33 67.83 1tus n THR 47 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1tus n LEU 48 N -3.18 0.10 -0.95 1.09 7.94 -1.26 -4.91 117.00 115.82 1tus n LEU 48 Ca -0.43 0.13 0.12 0.00 -1.11 0.00 0.00 56.01 54.72 1tus n LEU 48 Cb 0.98 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.88 1tus n LEU 48 CO 0.26 0.00 -0.38 0.41 -1.11 0.00 0.00 177.39 176.58 1tus n THR 49 N -0.15 -0.38 -3.10 1.96 -1.04 -1.26 -4.27 114.28 106.04 1tus n THR 49 Ca 0.00 0.51 -0.39 0.00 -2.04 0.00 0.00 64.05 62.13 1tus n THR 49 Cb 0.00 -0.83 -0.06 0.00 -1.82 0.00 0.00 70.33 67.62 1tus n THR 49 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1tus s LEU 50 N -6.29 4.49 -0.18 -4.42 2.96 -1.26 -1.44 118.68 112.54 1tus s LEU 50 Ca 0.00 1.38 -0.10 0.00 -0.22 0.00 0.00 54.13 55.19 1tus s LEU 50 Cb 0.00 -3.10 -0.22 0.00 0.50 0.00 0.00 46.19 43.38 1tus s LEU 50 CO 0.00 0.14 0.18 -0.24 -1.32 0.00 0.00 176.35 175.11 1tus n SER 51 N 2.26 2.02 -3.63 3.68 2.88 -0.90 -4.87 113.62 115.06 1tus n SER 51 Ca -0.06 0.23 -0.03 0.00 -1.33 0.00 0.00 58.87 57.68 1tus n SER 51 Cb 0.50 -0.82 -0.04 0.00 -0.75 0.00 0.00 64.21 63.09 1tus n SER 51 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1tus s HIS 52 N -2.50 -0.08 0.61 0.66 0.00 -1.24 -4.92 115.29 107.82 1tus s HIS 52 Ca -0.27 0.14 -0.14 0.00 -3.00 0.00 0.00 55.06 51.79 1tus s HIS 52 Cb 0.07 0.49 -0.03 0.00 -4.00 0.00 0.00 32.58 29.11 1tus s HIS 52 CO 0.68 -0.08 1.04 -0.06 -1.00 0.00 0.00 174.74 175.32 1tus s PHE 53 N -1.03 3.24 0.09 0.38 0.40 -1.26 -1.55 117.98 118.26 1tus s PHE 53 Ca 0.07 1.43 0.00 0.00 -0.60 0.00 0.00 56.93 57.84 1tus s PHE 53 Cb -0.01 -2.87 0.00 0.00 0.51 0.00 0.00 43.02 40.65 1tus s PHE 53 CO -0.07 -0.91 0.00 0.41 0.70 0.00 0.00 175.22 175.36 1tus n GLY 54 N -1.73 -2.32 3.00 4.36 0.00 0.11 -4.75 105.19 103.85 1tus n GLY 54 Ca 0.07 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 1tus n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tus n LYS 55 N -2.67 -4.12 0.00 1.61 5.02 -1.21 -2.47 118.16 114.33 1tus n LYS 55 Ca -0.01 -1.42 0.15 0.00 -2.02 0.00 0.00 58.31 55.00 1tus n LYS 55 Cb 0.12 -1.66 0.64 0.00 -0.02 0.00 0.00 35.03 34.11 1tus n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88