#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tus s ALA 2 N 0.00 -2.10 -0.23 1.96 0.00 -1.26 -5.13 121.76 115.01 1tus s ALA 2 Ca 0.00 1.37 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 1tus s ALA 2 Cb 0.00 0.01 0.10 0.00 0.00 0.00 0.00 23.12 23.23 1tus s ALA 2 CO 0.00 -0.71 0.19 0.00 0.00 0.00 0.00 175.76 175.25 1tus s ALA 3 N -2.45 -0.03 -0.43 0.00 0.00 -1.26 -5.08 121.76 112.52 1tus s ALA 3 Ca 0.10 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 51.93 1tus s ALA 3 Cb 0.00 -1.36 0.12 0.00 0.00 0.00 0.00 23.12 21.88 1tus s ALA 3 CO -0.04 -1.36 0.16 0.54 0.00 0.00 0.00 175.76 175.05 1tus s VAL 4 N 2.26 2.42 0.44 0.00 0.11 -1.26 -5.08 120.40 119.29 1tus s VAL 4 Ca 0.07 -2.86 0.04 0.00 -2.93 0.00 0.00 61.98 56.30 1tus s VAL 4 Cb -0.16 -2.73 -0.04 0.00 -1.53 0.00 0.00 36.38 31.92 1tus s VAL 4 CO -0.19 -0.71 0.04 -0.94 -3.33 0.00 0.00 175.10 169.97 1tus s SER 5 N 0.27 3.54 -0.01 3.54 1.04 -1.26 -4.90 113.70 115.92 1tus s SER 5 Ca 0.14 -1.54 0.04 0.00 0.48 0.00 0.00 55.95 55.07 1tus s SER 5 Cb -0.23 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 1tus s SER 5 CO -0.04 -0.73 -0.14 -0.69 0.98 0.00 0.00 173.24 172.63 1tus s VAL 6 N -2.96 1.09 -0.45 5.02 1.01 -1.26 -5.11 120.40 117.73 1tus s VAL 6 Ca 0.22 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1tus s VAL 6 Cb 0.05 -0.91 0.13 0.00 0.00 0.00 0.00 36.38 35.65 1tus s VAL 6 CO 0.11 0.29 0.23 -1.81 0.00 0.00 0.00 175.10 173.92 1tus s ASP 7 N -0.37 3.88 -0.25 3.32 1.11 -1.26 -4.96 116.67 118.14 1tus s ASP 7 Ca 0.05 -2.69 0.22 0.00 0.18 0.00 0.00 52.55 50.31 1tus s ASP 7 Cb -0.05 -1.21 0.50 0.00 1.07 0.00 0.00 42.92 43.23 1tus s ASP 7 CO -0.00 -0.26 1.12 0.00 1.18 0.00 0.00 175.17 177.20 1tus n SER 9 N -0.55 7.61 0.00 0.00 2.88 -1.26 -3.39 113.62 118.91 1tus n SER 9 Ca 0.09 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.46 1tus n SER 9 Cb 0.83 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 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 1.90 0.00 -0.65 -1.46 0.00 -1.26 -5.13 120.64 114.03 1tus n GLU 10 Ca 0.58 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 57.43 1tus n GLU 10 Cb 0.26 0.00 0.18 0.00 0.00 0.00 0.00 31.44 31.88 1tus n GLU 10 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1tus n TYR 11 N -0.07 0.33 -2.69 4.31 4.02 -1.22 -4.62 117.16 117.22 1tus n TYR 11 Ca 0.00 0.30 -0.33 0.00 -0.01 0.00 0.00 57.90 57.86 1tus n TYR 11 Cb 0.00 -1.93 -0.05 0.00 -0.02 0.00 0.00 39.34 37.33 1tus n TYR 11 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1tus s PRO 12 N -4.51 4.04 0.13 -0.72 0.04 -1.26 -4.89 135.00 127.83 1tus s PRO 12 Ca 0.66 1.21 0.06 0.00 0.04 0.00 0.00 61.00 62.98 1tus s PRO 12 Cb -0.23 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1tus s PRO 12 CO 0.60 -0.20 0.00 -1.59 0.04 0.00 0.00 177.00 175.85 1tus s LYS 13 N -3.23 2.48 0.44 4.56 -2.85 -1.26 -5.03 119.74 114.85 1tus s LYS 13 Ca 0.64 -0.96 0.24 0.00 -1.00 0.00 0.00 55.97 54.90 1tus s LYS 13 Cb -0.12 -2.46 0.63 0.00 -2.06 0.00 0.00 37.83 33.82 1tus s LYS 13 CO 0.16 0.50 1.71 -1.00 0.10 0.00 0.00 175.35 176.82 1tus h PRO 14 N 3.09 0.00 -4.90 1.78 0.14 -2.02 -3.43 132.00 126.67 1tus h PRO 14 Ca -0.48 0.00 -0.65 0.00 0.14 0.00 0.00 66.00 65.01 1tus h PRO 14 Cb 1.18 0.00 -0.36 0.00 0.14 0.00 0.00 31.00 31.97 1tus h PRO 14 CO 0.59 0.12 -0.84 0.00 0.14 0.00 0.00 178.00 178.01 1tus s ALA 15 N -3.35 2.23 0.45 -0.56 0.00 -1.26 -5.11 121.76 114.15 1tus s ALA 15 Ca 0.04 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.82 1tus s ALA 15 Cb 0.07 -1.22 0.07 0.00 0.00 0.00 0.00 23.12 22.05 1tus s ALA 15 CO 0.65 -0.52 0.54 0.00 0.00 0.00 0.00 175.76 176.43 1tus n THR 17 N -1.97 1.95 -1.65 0.00 5.66 -1.26 -5.01 114.28 112.00 1tus n THR 17 Ca 0.10 -3.35 -0.15 0.00 -3.05 0.00 0.00 64.05 57.60 1tus n THR 17 Cb 0.37 -0.24 -0.07 0.00 -1.55 0.00 0.00 70.33 68.85 1tus n THR 17 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1tus s LEU 18 N -3.11 2.88 0.00 1.09 0.20 -1.26 -4.87 118.68 113.61 1tus s LEU 18 Ca 0.41 -0.12 0.00 0.00 0.69 0.00 0.00 54.13 55.11 1tus s LEU 18 Cb 0.38 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 43.59 1tus s LEU 18 CO -0.03 -3.77 0.00 1.21 -0.29 0.00 0.00 176.35 173.47 1tus n GLU 19 N 8.79 0.25 -1.39 1.98 2.13 -1.26 -5.24 120.64 125.91 1tus n GLU 19 Ca 0.46 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.93 1tus n GLU 19 Cb 0.44 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.25 1tus n GLU 19 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1tus s TYR 20 N -1.79 2.00 0.00 4.31 6.14 -1.26 -2.25 117.35 124.49 1tus s TYR 20 Ca 0.00 1.61 0.00 0.00 0.64 0.00 0.00 57.07 59.32 1tus s TYR 20 Cb 0.00 -3.49 0.00 0.00 0.42 0.00 0.00 41.96 38.89 1tus s TYR 20 CO 0.00 -2.69 0.00 2.89 0.64 0.00 0.00 175.55 176.39 1tus n ARG 21 N -2.78 0.00 -2.96 4.97 1.85 0.13 -4.76 116.66 113.11 1tus n ARG 21 Ca 0.14 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.55 1tus n ARG 21 Cb 0.50 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.87 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 -2.00 3.10 0.54 2.89 0.04 -1.26 -3.53 135.00 134.78 1tus s PRO 22 Ca 0.00 -0.98 0.05 0.00 0.04 0.00 0.00 61.00 60.11 1tus s PRO 22 Cb 0.00 -4.23 0.03 0.00 0.04 0.00 0.00 34.50 30.35 1tus s PRO 22 CO 0.00 -1.69 0.37 -0.51 0.04 0.00 0.00 177.00 175.21 1tus s LEU 23 N 3.53 2.66 -0.08 -3.56 1.43 -0.88 -2.53 118.68 119.25 1tus s LEU 23 Ca 0.18 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 1tus s LEU 23 Cb -0.19 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 44.90 1tus s LEU 23 CO 0.09 -1.09 -0.06 0.00 0.23 0.00 0.00 176.35 175.53 1tus n GLY 25 N 4.55 -2.78 2.25 0.00 0.00 -0.99 -1.01 105.19 107.20 1tus n GLY 25 Ca -0.16 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 1tus n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1tus n SER 26 N -1.65 7.18 -0.05 1.61 2.88 0.12 -3.83 113.62 119.89 1tus n SER 26 Ca 0.00 -3.65 0.03 0.00 -1.33 0.00 0.00 58.87 53.92 1tus n SER 26 Cb 0.00 -0.98 0.04 0.00 -0.75 0.00 0.00 64.21 62.52 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 1.78 -1.88 -3.46 5.75 -1.26 -4.85 116.55 111.89 1tus n ASP 27 Ca 0.57 -2.22 -0.15 0.00 -0.01 0.00 0.00 54.79 52.98 1tus n ASP 27 Cb 0.73 -0.14 0.01 0.00 -1.03 0.00 0.00 41.12 40.68 1tus n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1tus n ASN 28 N -0.70 -4.57 -3.48 -1.12 5.03 -1.26 -4.96 115.26 104.19 1tus n ASN 28 Ca 0.05 -0.10 -0.09 0.00 0.87 0.00 0.00 54.58 55.31 1tus n ASN 28 Cb 0.42 -3.60 -0.02 0.00 -1.02 0.00 0.00 39.78 35.56 1tus n ASN 28 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1tus s LYS 29 N -5.00 0.95 0.87 3.52 -2.85 -1.26 -5.09 119.74 110.88 1tus s LYS 29 Ca 0.09 -0.34 -0.12 0.00 -1.00 0.00 0.00 55.97 54.60 1tus s LYS 29 Cb -0.04 0.44 0.11 0.00 -2.06 0.00 0.00 37.83 36.28 1tus s LYS 29 CO 0.11 -0.41 1.10 0.95 0.10 0.00 0.00 175.35 177.20 1tus s THR 30 N -3.28 2.75 0.01 3.79 -4.23 -1.26 -2.34 115.64 111.08 1tus s THR 30 Ca 0.04 0.24 0.06 0.00 -1.18 0.00 0.00 61.69 60.85 1tus s THR 30 Cb -0.01 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 1tus s THR 30 CO -0.10 -0.32 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.18 1tus s TYR 31 N -3.02 1.57 0.00 3.99 1.51 -0.54 -4.75 117.35 116.10 1tus s TYR 31 Ca 0.63 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.37 1tus s TYR 31 Cb -0.17 -0.98 0.00 0.00 -0.11 0.00 0.00 41.96 40.70 1tus s TYR 31 CO 0.56 0.01 0.05 0.41 -1.11 0.00 0.00 175.55 175.46 1tus n GLY 32 N 2.39 0.77 3.84 0.71 0.00 -1.23 -2.24 105.19 109.43 1tus n GLY 32 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1tus n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tus s ASN 33 N -1.23 6.05 0.54 1.61 4.22 -0.96 0.19 114.94 125.36 1tus s ASN 33 Ca 0.00 1.56 0.22 0.00 -2.14 0.00 0.00 52.86 52.50 1tus s ASN 33 Cb 0.00 -2.49 1.46 0.00 1.28 0.00 0.00 41.25 41.49 1tus s ASN 33 CO 0.00 -0.98 2.16 0.50 -2.04 0.00 0.00 177.10 176.73 1tus h LYS 34 N -0.03 0.00 0.00 3.55 3.64 -1.90 0.41 116.57 122.24 1tus h LYS 34 Ca -0.45 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.75 1tus h LYS 34 Cb 1.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1tus h LYS 34 CO 0.60 0.04 -1.44 0.00 -2.27 0.00 0.00 179.45 176.38 1tus h ASN 36 N 0.00 0.00 0.00 0.00 2.35 -1.82 -1.13 115.58 114.98 1tus h ASN 36 Ca -0.17 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1tus h ASN 36 Cb 1.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.99 1tus h ASN 36 CO 0.05 0.47 -0.00 0.15 -1.65 0.00 0.00 177.43 176.45 1tus h PHE 37 N 0.00 -0.00 0.00 1.19 3.57 -0.96 -2.95 116.94 117.78 1tus h PHE 37 Ca -0.00 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1tus h PHE 37 Cb 1.33 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 1tus h PHE 37 CO 0.00 -0.00 -0.22 0.00 -2.23 0.00 0.00 178.31 175.86 1tus h ASN 39 N 0.00 0.00 0.49 0.00 2.35 -1.32 -0.47 115.58 116.63 1tus h ASN 39 Ca -0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1tus h ASN 39 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1tus h ASN 39 CO 0.03 0.23 -0.81 0.00 -1.65 0.00 0.00 177.43 175.22 1tus h ALA 40 N 1.77 0.58 0.85 -0.83 0.00 -0.48 -1.62 119.26 119.54 1tus h ALA 40 Ca -0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 1tus h ALA 40 Cb 0.43 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1tus h ALA 40 CO 0.03 0.85 -0.41 0.28 0.00 0.00 0.00 179.25 180.00 1tus h VAL 41 N 0.15 0.00 -0.32 0.00 2.07 -0.72 -1.72 116.25 115.71 1tus h VAL 41 Ca -0.04 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1tus h VAL 41 Cb 1.41 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1tus h VAL 41 CO 0.13 0.00 0.01 -0.37 0.02 0.00 0.00 177.57 177.36 1tus h VAL 42 N -1.29 1.18 -0.48 2.57 -1.51 -1.05 -0.63 116.25 115.05 1tus h VAL 42 Ca -0.12 -0.72 -0.06 0.00 -1.23 0.00 0.00 66.70 64.58 1tus h VAL 42 Cb 0.88 0.93 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 1tus h VAL 42 CO 0.19 0.25 0.04 -0.33 -1.23 0.00 0.00 177.57 176.49 1tus h GLU 43 N 0.47 0.76 0.00 5.19 3.07 -1.33 -1.09 114.58 121.64 1tus h GLU 43 Ca 0.10 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1tus h GLU 43 Cb 0.29 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1tus h GLU 43 CO 0.01 0.74 0.00 0.66 -1.40 0.00 0.00 179.01 179.02 1tus h SER 44 N 0.72 0.00 -1.62 1.42 4.64 -0.16 -3.47 113.55 115.08 1tus h SER 44 Ca 0.15 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.25 1tus h SER 44 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1tus h SER 44 CO 0.01 0.00 -0.28 -3.20 -0.87 0.00 0.00 176.83 172.49 1tus n ASN 45 N -2.98 -3.58 -0.38 4.97 5.15 -0.42 -4.14 115.26 113.89 1tus n ASN 45 Ca 0.01 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1tus n ASN 45 Cb 0.34 -2.80 0.00 0.00 -0.53 0.00 0.00 39.78 36.78 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 -1.02 0.74 0.03 8.20 0.00 -1.23 -5.00 105.19 106.91 1tus n GLY 46 Ca -0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.93 0.31 0.00 2.61 5.66 -1.26 -4.95 114.28 115.71 1tus n THR 47 Ca 0.00 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1tus n THR 47 Cb 0.26 -0.74 0.00 0.00 -1.55 0.00 0.00 70.33 68.30 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 -2.54 1.57 -1.34 1.09 0.00 -1.26 -4.96 117.00 109.56 1tus n LEU 48 Ca -0.09 0.11 0.16 0.00 0.00 0.00 0.00 56.01 56.19 1tus n LEU 48 Cb 0.61 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.95 1tus n LEU 48 CO 0.06 0.00 -0.57 0.41 0.00 0.00 0.00 177.39 177.29 1tus n THR 49 N -0.37 -0.74 -2.90 1.96 -1.04 -1.26 -4.17 114.28 105.76 1tus n THR 49 Ca 0.00 0.82 -0.40 0.00 -2.04 0.00 0.00 64.05 62.42 1tus n THR 49 Cb 0.00 -1.27 -0.04 0.00 -1.82 0.00 0.00 70.33 67.20 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 -7.05 4.42 0.05 -4.42 2.96 -1.26 -0.70 118.68 112.68 1tus s LEU 50 Ca 0.00 1.49 -0.15 0.00 -0.22 0.00 0.00 54.13 55.25 1tus s LEU 50 Cb 0.00 -3.32 -0.30 0.00 0.50 0.00 0.00 46.19 43.06 1tus s LEU 50 CO 0.00 -0.08 1.08 -1.28 -1.32 0.00 0.00 176.35 174.76 1tus h SER 51 N 6.08 0.88 -5.83 3.68 0.87 -1.17 -3.46 113.55 114.60 1tus h SER 51 Ca -0.43 -0.83 0.34 0.00 -1.23 0.00 0.00 61.79 59.64 1tus h SER 51 Cb 1.21 -0.28 -0.10 0.00 -0.44 0.00 0.00 62.40 62.79 1tus h SER 51 CO 0.73 1.64 0.88 -1.38 -0.53 0.00 0.00 176.83 178.17 1tus s HIS 52 N -2.91 -0.01 -1.11 2.24 0.00 -1.03 -5.01 115.29 107.46 1tus s HIS 52 Ca -0.09 -0.09 -0.06 0.00 -3.00 0.00 0.00 55.06 51.82 1tus s HIS 52 Cb 0.05 0.55 0.28 0.00 -4.00 0.00 0.00 32.58 29.46 1tus s HIS 52 CO 0.94 -0.24 1.49 1.19 -1.00 0.00 0.00 174.74 177.11 1tus n PHE 53 N -0.69 2.79 -2.57 0.38 3.01 -1.26 -2.23 117.46 116.89 1tus n PHE 53 Ca -0.03 -2.79 0.00 0.00 1.01 0.00 0.00 57.45 55.64 1tus n PHE 53 Cb 0.61 -1.42 0.00 0.00 -0.01 0.00 0.00 39.48 38.66 1tus n PHE 53 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tus n GLY 54 N 1.74 4.99 2.06 1.37 0.00 -1.05 -4.91 105.19 109.39 1tus n GLY 54 Ca 0.28 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 3.57 -0.65 1.61 5.02 -1.26 -2.08 118.16 124.37 1tus n LYS 55 Ca 0.00 -4.15 0.00 0.00 -2.02 0.00 0.00 58.31 52.14 1tus n LYS 55 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.73 1tus n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88