#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 2.24 -0.30 -1.18 0.00 -1.26 -5.09 121.76 116.17 1tus s ALA 2 Ca 0.00 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.62 1tus s ALA 2 Cb 0.00 -0.51 0.18 0.00 0.00 0.00 0.00 23.12 22.79 1tus s ALA 2 CO 0.00 0.53 1.06 0.00 0.00 0.00 0.00 175.76 177.35 1tus s ALA 3 N -0.75 -3.95 -0.74 0.00 0.00 -1.26 -5.09 121.76 109.98 1tus s ALA 3 Ca 0.11 1.36 -0.26 0.00 0.00 0.00 0.00 51.96 53.18 1tus s ALA 3 Cb -0.10 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1tus s ALA 3 CO 0.01 -1.97 1.63 0.54 0.00 0.00 0.00 175.76 175.97 1tus s VAL 4 N 2.96 3.55 0.20 0.00 0.11 -1.26 -4.83 120.40 121.13 1tus s VAL 4 Ca 0.22 0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 59.22 1tus s VAL 4 Cb -0.03 -4.40 0.05 0.00 -1.53 0.00 0.00 36.38 30.46 1tus s VAL 4 CO -0.20 -1.35 0.67 -1.54 -3.33 0.00 0.00 175.10 169.34 1tus n SER 5 N 11.36 -1.43 -2.48 3.54 3.41 -1.26 -5.02 113.62 121.73 1tus n SER 5 Ca 0.19 -1.88 -0.12 0.00 -0.26 0.00 0.00 58.87 56.80 1tus n SER 5 Cb 0.50 2.36 -0.04 0.00 -0.26 0.00 0.00 64.21 66.77 1tus n SER 5 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1tus n VAL 6 N -0.46 0.00 -2.88 -3.33 0.24 -1.26 -5.12 118.33 105.52 1tus n VAL 6 Ca -0.04 -1.40 -0.12 0.00 -2.04 0.00 0.00 64.34 60.74 1tus n VAL 6 Cb 0.42 0.63 0.03 0.00 -1.47 0.00 0.00 33.84 33.45 1tus n VAL 6 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1tus n ASP 7 N -2.08 -1.73 -2.25 -1.34 2.03 -1.26 -4.98 116.55 104.94 1tus n ASP 7 Ca 0.02 -3.28 -0.27 0.00 0.52 0.00 0.00 54.79 51.78 1tus n ASP 7 Cb 0.35 1.12 0.15 0.00 -0.72 0.00 0.00 41.12 42.02 1tus n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tus n SER 9 N -1.07 8.01 0.00 0.00 7.64 -1.26 -3.03 113.62 123.91 1tus n SER 9 Ca 0.60 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 57.42 1tus n SER 9 Cb 1.39 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1tus n SER 9 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1tus n GLU 10 N 2.09 0.00 -0.69 1.43 4.07 -1.26 -5.13 120.64 121.16 1tus n GLU 10 Ca 0.64 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.42 1tus n GLU 10 Cb 0.25 0.00 0.16 0.00 -0.06 0.00 0.00 31.44 31.79 1tus n GLU 10 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1tus n TYR 11 N -0.08 0.30 -2.67 4.31 4.02 -1.17 -4.56 117.16 117.31 1tus n TYR 11 Ca 0.00 0.35 -0.41 0.00 -0.01 0.00 0.00 57.90 57.83 1tus n TYR 11 Cb 0.00 -1.94 -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 -4.41 4.69 0.85 -0.72 0.04 -1.26 -4.92 135.00 129.27 1tus s PRO 12 Ca 0.65 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 1tus s PRO 12 Cb -0.23 -3.33 0.11 0.00 0.04 0.00 0.00 34.50 31.09 1tus s PRO 12 CO 0.60 0.22 1.10 0.15 0.04 0.00 0.00 177.00 179.11 1tus s LYS 13 N -0.30 1.58 -0.08 4.56 1.02 -1.26 -5.00 119.74 120.26 1tus s LYS 13 Ca 0.47 1.10 -0.12 0.00 0.02 0.00 0.00 55.97 57.43 1tus s LYS 13 Cb -0.26 -1.83 -0.09 0.00 -0.52 0.00 0.00 37.83 35.14 1tus s LYS 13 CO 0.32 -2.09 0.46 -1.00 -0.92 0.00 0.00 175.35 172.12 1tus h PRO 14 N -1.46 -0.19 -3.94 -1.68 0.13 -2.01 -3.43 132.00 119.42 1tus h PRO 14 Ca -0.46 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.13 1tus h PRO 14 Cb 1.26 0.04 -0.39 0.00 0.13 0.00 0.00 31.00 32.05 1tus h PRO 14 CO 0.51 0.07 -0.78 0.00 -0.23 0.00 0.00 178.00 177.57 1tus s ALA 15 N -3.16 1.37 1.00 -0.56 0.00 -1.26 -5.12 121.76 114.03 1tus s ALA 15 Ca -0.07 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1tus s ALA 15 Cb -0.00 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1tus s ALA 15 CO 0.25 -1.02 0.00 0.00 0.00 0.00 0.00 175.76 174.99 1tus n THR 17 N -1.96 0.24 -1.71 0.00 5.66 -1.26 -5.03 114.28 110.22 1tus n THR 17 Ca 0.00 -1.85 -0.34 0.00 -3.05 0.00 0.00 64.05 58.81 1tus n THR 17 Cb 0.00 0.93 -0.06 0.00 -1.55 0.00 0.00 70.33 69.65 1tus n THR 17 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1tus n LEU 18 N -0.53 3.43 0.00 1.09 -0.00 -1.26 -4.90 117.00 114.84 1tus n LEU 18 Ca -0.01 -3.06 0.00 0.00 -0.00 0.00 0.00 56.01 52.94 1tus n LEU 18 Cb 0.84 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.77 1tus n LEU 18 CO -0.00 -1.28 0.00 -1.84 -0.00 0.00 0.00 177.39 174.27 1tus n GLU 19 N 7.81 2.99 -4.25 1.96 0.00 -1.26 -5.28 120.64 122.61 1tus n GLU 19 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 57.31 1tus n GLU 19 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.79 1tus n GLU 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1tus s TYR 20 N 1.84 3.00 0.00 -1.84 6.14 -1.26 -4.59 117.35 120.64 1tus s TYR 20 Ca 0.00 0.01 0.00 0.00 0.64 0.00 0.00 57.07 57.72 1tus s TYR 20 Cb 0.00 -1.60 0.00 0.00 0.42 0.00 0.00 41.96 40.78 1tus s TYR 20 CO 0.00 0.45 0.00 2.89 0.64 0.00 0.00 175.55 179.53 1tus n ARG 21 N 1.07 0.00 -3.09 4.97 -4.01 -0.82 -4.98 116.66 109.80 1tus n ARG 21 Ca -0.13 0.00 -0.39 0.00 -1.04 0.00 0.00 57.85 56.29 1tus n ARG 21 Cb 0.52 0.00 -0.06 0.00 -3.04 0.00 0.00 32.46 29.88 1tus n ARG 21 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1tus s PRO 22 N -0.51 4.43 0.00 2.89 0.04 -1.14 -3.53 135.00 137.17 1tus s PRO 22 Ca 0.00 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1tus s PRO 22 Cb 0.00 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1tus s PRO 22 CO 0.00 0.55 0.00 1.28 0.04 0.00 0.00 177.00 178.87 1tus n LEU 23 N 1.82 0.00 -3.78 -3.56 4.32 -0.87 -2.40 117.00 112.53 1tus n LEU 23 Ca -0.07 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.68 1tus n LEU 23 Cb 0.50 0.00 -0.17 0.00 -1.62 0.00 0.00 43.42 42.12 1tus n LEU 23 CO 0.44 0.00 -0.39 0.00 -1.22 0.00 0.00 177.39 176.23 1tus n GLY 25 N 5.10 -3.51 2.17 0.00 0.00 -0.98 -1.57 105.19 106.41 1tus n GLY 25 Ca -0.08 -1.31 -0.23 0.00 0.00 0.00 0.00 46.02 44.40 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 -4.03 4.01 -0.06 1.61 2.88 0.21 -3.70 113.62 114.54 1tus n SER 26 Ca 0.06 -3.53 0.03 0.00 -1.33 0.00 0.00 58.87 54.10 1tus n SER 26 Cb 0.24 -0.83 0.04 0.00 -0.75 0.00 0.00 64.21 62.91 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 -1.03 1.72 -1.78 -3.46 5.75 -1.26 -4.87 116.55 111.62 1tus n ASP 27 Ca 0.57 -2.21 -0.14 0.00 -0.01 0.00 0.00 54.79 53.00 1tus n ASP 27 Cb 1.53 -0.14 0.01 0.00 -1.03 0.00 0.00 41.12 41.49 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 -0.69 -4.41 -3.69 -1.12 5.03 -1.26 -4.98 115.26 104.15 1tus n ASN 28 Ca 0.05 -0.08 -0.14 0.00 0.87 0.00 0.00 54.58 55.28 1tus n ASN 28 Cb 0.43 -3.47 -0.09 0.00 -1.02 0.00 0.00 39.78 35.64 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 -4.93 0.65 0.55 3.52 -2.85 -1.26 -5.08 119.74 110.34 1tus s LYS 29 Ca 0.08 0.58 -0.20 0.00 -1.00 0.00 0.00 55.97 55.42 1tus s LYS 29 Cb -0.03 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 1tus s LYS 29 CO 0.10 -0.11 1.22 0.99 0.10 0.00 0.00 175.35 177.65 1tus s THR 30 N -0.03 2.68 -0.10 3.79 2.01 -1.26 -2.31 115.64 120.42 1tus s THR 30 Ca -0.02 0.46 -0.02 0.00 0.31 0.00 0.00 61.69 62.41 1tus s THR 30 Cb -0.03 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1tus s THR 30 CO 0.02 -0.06 0.00 -0.31 -0.69 0.00 0.00 174.62 173.58 1tus s TYR 31 N -1.54 3.16 0.06 4.92 2.02 -0.96 -4.87 117.35 120.14 1tus s TYR 31 Ca 0.73 0.14 -0.27 0.00 -0.37 0.00 0.00 57.07 57.30 1tus s TYR 31 Cb -0.31 -1.82 -0.17 0.00 -0.40 0.00 0.00 41.96 39.25 1tus s TYR 31 CO 0.35 0.41 1.56 0.78 -1.57 0.00 0.00 175.55 177.08 1tus h GLY 32 N 5.40 -0.46 -2.05 0.71 0.00 -1.88 -2.31 103.07 102.48 1tus h GLY 32 Ca -0.48 0.17 -0.47 0.00 0.00 0.00 0.00 47.33 46.55 1tus h GLY 32 CO 0.56 -0.17 -0.61 0.54 0.00 0.00 0.00 176.54 176.86 1tus s ASN 33 N -4.88 2.37 0.39 0.19 4.22 -1.23 -1.95 114.94 114.05 1tus s ASN 33 Ca -0.15 -1.37 0.10 0.00 -2.14 0.00 0.00 52.86 49.30 1tus s ASN 33 Cb 0.04 -0.09 0.79 0.00 1.28 0.00 0.00 41.25 43.28 1tus s ASN 33 CO 0.62 -0.60 1.92 0.50 -2.04 0.00 0.00 177.10 177.50 1tus h LYS 34 N 2.12 0.22 0.00 3.55 3.64 -1.81 -0.21 116.57 124.08 1tus h LYS 34 Ca -0.41 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1tus h LYS 34 Cb 1.24 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1tus h LYS 34 CO 0.70 0.37 -0.14 0.00 -2.27 0.00 0.00 179.45 178.11 1tus n ASN 36 N -3.20 0.19 0.09 0.00 5.03 -0.71 -3.37 115.26 113.29 1tus n ASN 36 Ca 0.02 0.08 -0.04 0.00 0.87 0.00 0.00 54.58 55.51 1tus n ASN 36 Cb 0.47 1.40 -0.02 0.00 -1.02 0.00 0.00 39.78 40.61 1tus n ASN 36 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1tus h PHE 37 N 0.00 -0.22 -0.25 3.10 3.57 -0.93 -2.42 116.94 119.77 1tus h PHE 37 Ca -0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1tus h PHE 37 Cb 1.33 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 1tus h PHE 37 CO 0.00 -0.14 0.11 0.00 -2.23 0.00 0.00 178.31 176.06 1tus h ASN 39 N 0.35 0.00 -0.47 0.00 2.35 -1.63 -1.57 115.58 114.61 1tus h ASN 39 Ca 0.09 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1tus h ASN 39 Cb 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1tus h ASN 39 CO -0.01 0.34 0.07 0.00 -1.65 0.00 0.00 177.43 176.17 1tus h ALA 40 N 1.66 0.63 0.18 -0.83 0.00 -0.75 -2.34 119.26 117.82 1tus h ALA 40 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1tus h ALA 40 Cb 0.93 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1tus h ALA 40 CO 0.04 0.36 -0.09 0.28 0.00 0.00 0.00 179.25 179.85 1tus h VAL 41 N 0.65 0.86 -0.04 0.00 2.07 -0.91 0.13 116.25 119.01 1tus h VAL 41 Ca 0.14 -0.19 -0.19 0.00 0.82 0.00 0.00 66.70 67.29 1tus h VAL 41 Cb 0.40 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1tus h VAL 41 CO 0.01 0.04 -0.78 -0.37 0.02 0.00 0.00 177.57 176.50 1tus h VAL 42 N -0.34 1.42 0.00 2.57 -1.51 -1.33 -0.78 116.25 116.28 1tus h VAL 42 Ca -0.03 -2.29 -0.05 0.00 -1.23 0.00 0.00 66.70 63.10 1tus h VAL 42 Cb 0.26 2.24 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 1tus h VAL 42 CO 0.04 0.68 -0.26 -0.33 -1.23 0.00 0.00 177.57 176.47 1tus h GLU 43 N 0.20 0.00 0.00 5.19 3.07 -1.41 -2.14 114.58 119.49 1tus h GLU 43 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1tus h GLU 43 Cb 1.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1tus h GLU 43 CO 0.13 0.26 -0.06 1.03 -1.40 0.00 0.00 179.01 178.96 1tus h SER 44 N 0.00 0.00 -3.62 1.42 0.87 0.65 -3.48 113.55 109.39 1tus h SER 44 Ca -0.00 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.41 1tus h SER 44 Cb 0.47 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.51 1tus h SER 44 CO 0.03 0.01 -0.34 -3.20 -0.53 0.00 0.00 176.83 172.80 1tus n ASN 45 N -2.64 -2.16 0.00 6.23 5.15 -0.61 -4.09 115.26 117.14 1tus n ASN 45 Ca 0.05 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 1tus n ASN 45 Cb 0.48 -2.51 0.00 0.00 -0.53 0.00 0.00 39.78 37.22 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 -1.08 3.39 0.00 8.20 0.00 -1.24 -4.95 105.19 109.51 1tus n GLY 46 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1tus n GLY 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1tus n THR 47 N -1.76 0.00 -1.74 2.61 -1.04 -1.26 -4.87 114.28 106.22 1tus n THR 47 Ca 0.00 0.64 -0.38 0.00 -2.04 0.00 0.00 64.05 62.27 1tus n THR 47 Cb 0.00 -1.54 0.06 0.00 -1.82 0.00 0.00 70.33 67.03 1tus n THR 47 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1tus n LEU 48 N -0.21 5.87 0.00 -4.42 0.00 -1.26 -5.03 117.00 111.94 1tus n LEU 48 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 56.01 56.91 1tus n LEU 48 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 43.42 41.85 1tus n LEU 48 CO 0.00 -0.77 0.00 1.07 0.00 0.00 0.00 177.39 177.69 1tus n THR 49 N -1.50 0.00 -3.32 1.96 5.66 -1.26 -4.78 114.28 111.05 1tus n THR 49 Ca 0.13 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.73 1tus n THR 49 Cb 0.46 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.16 1tus n THR 49 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1tus s LEU 50 N 0.00 4.13 0.20 1.09 2.96 -1.26 -0.62 118.68 125.18 1tus s LEU 50 Ca 0.00 0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 54.06 1tus s LEU 50 Cb 0.00 -2.52 0.13 0.00 0.50 0.00 0.00 46.19 44.30 1tus s LEU 50 CO 0.00 -0.28 1.81 -1.28 -1.32 0.00 0.00 176.35 175.28 1tus h SER 51 N 8.20 0.89 0.00 3.68 0.87 -1.37 -3.46 113.55 122.37 1tus h SER 51 Ca -0.30 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1tus h SER 51 Cb 1.15 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1tus h SER 51 CO 0.69 0.73 0.00 0.00 -0.53 0.00 0.00 176.83 177.72 1tus n HIS 52 N -4.48 0.00 -2.15 2.24 -0.00 -1.12 -5.04 115.22 104.67 1tus n HIS 52 Ca 0.06 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.52 1tus n HIS 52 Cb 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.16 1tus n HIS 52 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1tus s PHE 53 N -2.00 2.76 0.00 -1.40 0.40 -1.26 -1.27 117.98 115.21 1tus s PHE 53 Ca 0.00 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.77 1tus s PHE 53 Cb 0.00 -3.30 0.00 0.00 0.51 0.00 0.00 43.02 40.23 1tus s PHE 53 CO 0.00 -1.57 0.00 0.41 0.70 0.00 0.00 175.22 174.76 1tus n GLY 54 N -3.04 1.12 1.40 4.36 0.00 -1.20 -4.86 105.19 102.96 1tus n GLY 54 Ca 0.09 -0.44 0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.85 -3.08 0.00 1.61 5.02 -1.01 -5.00 118.16 114.86 1tus n LYS 55 Ca 0.00 2.36 0.16 0.00 -2.02 0.00 0.00 58.31 58.81 1tus n LYS 55 Cb 0.26 -3.66 0.91 0.00 -0.02 0.00 0.00 35.03 32.52 1tus n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88