#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tus n ALA 2 N 0.00 0.00 -1.99 1.47 0.00 -1.26 -5.05 120.51 113.68 1tus n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1tus n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1tus n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tus n ALA 3 N -3.00 1.99 -2.17 0.00 0.00 -1.26 -5.02 120.51 111.05 1tus n ALA 3 Ca 0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 53.44 52.33 1tus n ALA 3 Cb 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 1tus n ALA 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tus n VAL 4 N 0.00 -0.70 -4.26 0.00 0.31 -1.26 -4.92 118.33 107.50 1tus n VAL 4 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1tus n VAL 4 Cb 0.68 -2.56 -0.10 0.00 -0.91 0.00 0.00 33.84 30.95 1tus n VAL 4 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1tus s SER 5 N -2.29 1.92 -0.14 4.52 1.04 -1.26 -4.71 113.70 112.78 1tus s SER 5 Ca 0.00 -0.99 -0.04 0.00 0.48 0.00 0.00 55.95 55.40 1tus s SER 5 Cb 0.00 -0.03 0.07 0.00 0.10 0.00 0.00 66.02 66.15 1tus s SER 5 CO 0.00 -0.29 0.22 -0.69 0.98 0.00 0.00 173.24 173.46 1tus s VAL 6 N -3.15 -0.34 -0.20 5.02 1.01 -1.26 -5.09 120.40 116.39 1tus s VAL 6 Ca 0.17 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 1tus s VAL 6 Cb 0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1tus s VAL 6 CO 0.02 0.03 1.39 -0.62 0.00 0.00 0.00 175.10 175.92 1tus s ASP 7 N 2.36 6.73 -0.29 3.32 2.15 -1.26 -4.87 116.67 124.80 1tus s ASP 7 Ca 0.04 1.62 0.19 0.00 0.43 0.00 0.00 52.55 54.83 1tus s ASP 7 Cb -0.13 -2.54 0.48 0.00 -0.30 0.00 0.00 42.92 40.44 1tus s ASP 7 CO -0.09 -0.96 1.05 0.00 -0.17 0.00 0.00 175.17 175.00 1tus n SER 9 N -0.39 7.72 0.00 0.00 2.88 -1.26 -3.25 113.62 119.32 1tus n SER 9 Ca 0.11 -3.29 0.00 0.00 -1.33 0.00 0.00 58.87 54.36 1tus n SER 9 Cb 0.81 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 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 1.18 0.00 -0.74 -1.46 4.07 -1.26 -5.14 120.64 117.29 1tus n GLU 10 Ca 0.57 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.36 1tus n GLU 10 Cb 0.28 0.00 0.16 0.00 -0.06 0.00 0.00 31.44 31.82 1tus n GLU 10 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1tus s TYR 11 N -0.16 1.65 0.72 4.31 1.51 -1.20 -4.70 117.35 119.48 1tus s TYR 11 Ca 0.00 1.78 -0.11 0.00 -1.01 0.00 0.00 57.07 57.73 1tus s TYR 11 Cb 0.00 -3.35 0.02 0.00 -0.11 0.00 0.00 41.96 38.52 1tus s TYR 11 CO 0.00 -2.79 1.09 -1.25 -1.11 0.00 0.00 175.55 171.49 1tus s PRO 12 N -4.62 2.75 0.75 -1.71 0.04 -1.26 -4.85 135.00 126.09 1tus s PRO 12 Ca 0.67 0.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 1tus s PRO 12 Cb -0.23 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.35 1tus s PRO 12 CO 0.57 -1.13 1.11 0.21 0.04 0.00 0.00 177.00 177.80 1tus s LYS 13 N -5.28 2.51 0.05 4.56 2.47 -1.26 -5.00 119.74 117.78 1tus s LYS 13 Ca 0.58 0.44 -0.22 0.00 -1.56 0.00 0.00 55.97 55.21 1tus s LYS 13 Cb -0.12 -1.98 -0.11 0.00 -1.46 0.00 0.00 37.83 34.16 1tus s LYS 13 CO 0.53 -1.28 1.34 -1.35 0.16 0.00 0.00 175.35 174.75 1tus h PRO 14 N -0.83 -0.63 -1.32 4.03 0.10 -2.01 -3.43 132.00 127.91 1tus h PRO 14 Ca -0.46 0.04 0.12 0.00 0.10 0.00 0.00 66.00 65.81 1tus h PRO 14 Cb 1.27 0.14 -0.21 0.00 0.10 0.00 0.00 31.00 32.30 1tus h PRO 14 CO 0.63 -0.42 -0.07 0.00 0.10 0.00 0.00 178.00 178.25 1tus s ALA 15 N -4.84 -2.40 0.69 -0.75 0.00 -1.26 -5.15 121.76 108.04 1tus s ALA 15 Ca -0.11 2.04 -0.17 0.00 0.00 0.00 0.00 51.96 53.73 1tus s ALA 15 Cb 0.02 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 21.13 1tus s ALA 15 CO 0.37 -1.11 1.25 0.00 0.00 0.00 0.00 175.76 176.27 1tus s THR 17 N -1.70 -0.24 -0.64 0.00 -4.23 -1.26 -5.03 115.64 102.54 1tus s THR 17 Ca 0.78 0.19 -0.26 0.00 -1.18 0.00 0.00 61.69 61.22 1tus s THR 17 Cb -0.33 -0.47 -0.09 0.00 1.34 0.00 0.00 72.50 72.95 1tus s THR 17 CO 0.42 0.08 2.31 -0.22 -0.54 0.00 0.00 174.62 176.67 1tus s LEU 18 N 1.85 3.19 0.00 4.79 0.20 -1.26 -4.91 118.68 122.54 1tus s LEU 18 Ca -0.05 0.50 0.02 0.00 0.69 0.00 0.00 54.13 55.30 1tus s LEU 18 Cb -0.11 -2.53 -0.01 0.00 -0.43 0.00 0.00 46.19 43.12 1tus s LEU 18 CO -0.10 -3.17 0.08 1.21 -0.29 0.00 0.00 176.35 174.08 1tus n GLU 19 N 8.95 0.72 -4.24 1.98 4.07 -1.26 -5.26 120.64 125.59 1tus n GLU 19 Ca 0.39 -3.23 -0.34 0.00 -0.06 0.00 0.00 57.16 53.92 1tus n GLU 19 Cb 0.50 1.40 -0.08 0.00 -0.06 0.00 0.00 31.44 33.20 1tus n GLU 19 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 1tus s TYR 20 N -2.84 3.21 0.00 4.31 6.14 -1.26 -4.67 117.35 122.24 1tus s TYR 20 Ca 0.12 0.20 0.00 0.00 0.64 0.00 0.00 57.07 58.03 1tus s TYR 20 Cb 0.01 -1.76 0.00 0.00 0.42 0.00 0.00 41.96 40.62 1tus s TYR 20 CO 0.08 0.51 0.00 2.89 0.64 0.00 0.00 175.55 179.67 1tus n ARG 21 N 1.72 0.00 -3.21 4.97 1.85 -0.96 -5.00 116.66 116.02 1tus n ARG 21 Ca -0.16 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.30 1tus n ARG 21 Cb 0.53 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.88 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 -0.38 4.28 0.00 2.89 0.04 -1.17 -3.60 135.00 137.07 1tus s PRO 22 Ca 0.00 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1tus s PRO 22 Cb 0.00 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1tus s PRO 22 CO 0.00 0.60 0.00 1.28 0.04 0.00 0.00 177.00 178.92 1tus n LEU 23 N 1.79 0.00 -4.18 -3.56 4.32 -0.95 -2.43 117.00 111.99 1tus n LEU 23 Ca -0.09 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.66 1tus n LEU 23 Cb 0.50 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.16 1tus n LEU 23 CO 0.42 0.00 -0.49 0.00 -1.22 0.00 0.00 177.39 176.10 1tus s GLY 25 N -0.82 1.77 -0.35 0.00 0.00 -0.17 -2.16 107.32 105.60 1tus s GLY 25 Ca 0.05 -1.25 0.07 0.00 0.00 0.00 0.00 44.72 43.59 1tus s GLY 25 CO 0.01 -0.41 1.78 -1.14 0.00 0.00 0.00 173.10 173.33 1tus n SER 26 N -4.04 4.26 -0.05 1.64 3.41 0.11 -4.20 113.62 114.75 1tus n SER 26 Ca 0.16 -3.26 0.03 0.00 -0.26 0.00 0.00 58.87 55.54 1tus n SER 26 Cb 0.59 -0.76 0.04 0.00 -0.26 0.00 0.00 64.21 63.82 1tus n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1tus n ASP 27 N -0.47 1.79 -1.44 4.04 5.75 -1.26 -4.87 116.55 120.09 1tus n ASP 27 Ca 0.45 -2.22 -0.11 0.00 -0.01 0.00 0.00 54.79 52.90 1tus n ASP 27 Cb 1.42 -0.14 0.01 0.00 -1.03 0.00 0.00 41.12 41.38 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 -3.73 -3.74 -1.12 5.03 -1.26 -5.01 115.26 104.73 1tus n ASN 28 Ca 0.05 -0.07 -0.15 0.00 0.87 0.00 0.00 54.58 55.27 1tus n ASN 28 Cb 0.41 -2.82 -0.16 0.00 -1.02 0.00 0.00 39.78 36.20 1tus n ASN 28 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1tus s LYS 29 N -4.81 0.01 0.98 3.52 1.02 -1.26 -5.05 119.74 114.15 1tus s LYS 29 Ca 0.07 0.31 -0.11 0.00 0.02 0.00 0.00 55.97 56.26 1tus s LYS 29 Cb -0.03 -0.26 0.18 0.00 -0.52 0.00 0.00 37.83 37.20 1tus s LYS 29 CO 0.09 -0.20 1.10 0.99 -0.92 0.00 0.00 175.35 176.41 1tus s THR 30 N 1.38 2.18 -0.04 2.17 2.01 -1.26 -1.00 115.64 121.08 1tus s THR 30 Ca -0.06 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1tus s THR 30 Cb -0.12 -2.16 0.03 0.00 0.01 0.00 0.00 72.50 70.26 1tus s THR 30 CO -0.04 -0.08 0.02 -0.31 -0.69 0.00 0.00 174.62 173.52 1tus s TYR 31 N -2.63 0.31 0.18 4.92 2.02 -0.96 -4.77 117.35 116.42 1tus s TYR 31 Ca 0.67 0.05 -0.13 0.00 -0.37 0.00 0.00 57.07 57.29 1tus s TYR 31 Cb -0.23 -0.53 0.08 0.00 -0.40 0.00 0.00 41.96 40.88 1tus s TYR 31 CO 0.60 -0.20 1.79 0.78 -1.57 0.00 0.00 175.55 176.95 1tus h GLY 32 N 7.96 0.88 -2.56 0.71 0.00 -1.88 -2.52 103.07 105.67 1tus h GLY 32 Ca -0.26 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 46.59 1tus h GLY 32 CO 0.30 0.38 -0.23 0.54 0.00 0.00 0.00 176.54 177.53 1tus s ASN 33 N -5.89 -0.04 0.52 0.19 4.22 -1.24 -2.27 114.94 110.44 1tus s ASN 33 Ca -0.13 -0.86 0.20 0.00 -2.14 0.00 0.00 52.86 49.92 1tus s ASN 33 Cb 0.13 0.50 1.34 0.00 1.28 0.00 0.00 41.25 44.50 1tus s ASN 33 CO 0.77 -0.99 2.13 0.50 -2.04 0.00 0.00 177.10 177.47 1tus h LYS 34 N 2.41 0.00 -0.29 3.55 3.64 -1.85 -1.87 116.57 122.17 1tus h LYS 34 Ca -0.30 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.90 1tus h LYS 34 Cb 1.24 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1tus h LYS 34 CO 0.43 0.06 -0.53 0.00 -2.27 0.00 0.00 179.45 177.14 1tus h ASN 36 N 0.65 0.00 0.63 0.00 -0.26 -1.80 -0.88 115.58 113.92 1tus h ASN 36 Ca 0.02 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.73 1tus h ASN 36 Cb 1.13 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.40 1tus h ASN 36 CO 0.12 0.32 -0.30 0.15 -1.06 0.00 0.00 177.43 176.65 1tus h PHE 37 N 0.00 -0.79 -0.25 1.19 3.57 -1.18 -3.00 116.94 116.49 1tus h PHE 37 Ca -0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1tus h PHE 37 Cb 1.04 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1tus h PHE 37 CO 0.00 -0.49 0.04 0.00 -2.23 0.00 0.00 178.31 175.64 1tus h ASN 39 N 0.35 0.00 0.44 0.00 7.08 -1.40 -0.41 115.58 121.64 1tus h ASN 39 Ca 0.08 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.26 1tus h ASN 39 Cb 0.17 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.40 1tus h ASN 39 CO -0.00 0.20 -0.19 0.00 -2.08 0.00 0.00 177.43 175.35 1tus h ALA 40 N 1.80 1.29 0.08 4.14 0.00 -1.04 -0.91 119.26 124.62 1tus h ALA 40 Ca -0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1tus h ALA 40 Cb 1.06 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1tus h ALA 40 CO 0.03 0.24 -0.53 0.28 0.00 0.00 0.00 179.25 179.27 1tus h VAL 41 N 0.00 1.60 -0.04 0.00 2.07 -0.77 -2.56 116.25 116.55 1tus h VAL 41 Ca -0.00 -2.45 -0.21 0.00 0.82 0.00 0.00 66.70 64.86 1tus h VAL 41 Cb 0.47 3.24 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1tus h VAL 41 CO 0.03 0.67 -0.84 -0.37 0.02 0.00 0.00 177.57 177.07 1tus h VAL 42 N -0.63 1.39 -0.24 2.57 -1.51 -0.89 -0.29 116.25 116.66 1tus h VAL 42 Ca -0.10 -2.31 -0.01 0.00 -1.23 0.00 0.00 66.70 63.06 1tus h VAL 42 Cb 1.39 2.27 -0.01 0.00 -2.13 0.00 0.00 31.29 32.81 1tus h VAL 42 CO 0.08 0.69 0.12 -0.33 -1.23 0.00 0.00 177.57 176.90 1tus h GLU 43 N 0.26 0.32 -0.13 5.19 3.07 -1.31 -1.99 114.58 119.99 1tus h GLU 43 Ca -0.06 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.68 1tus h GLU 43 Cb 1.45 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.28 1tus h GLU 43 CO 0.15 0.25 -0.36 0.77 -1.40 0.00 0.00 179.01 178.41 1tus h SER 44 N 0.33 0.27 -3.94 1.42 0.02 -0.63 -3.48 113.55 107.55 1tus h SER 44 Ca 0.09 -0.10 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 1tus h SER 44 Cb 0.03 -0.08 0.09 0.00 0.14 0.00 0.00 62.40 62.59 1tus h SER 44 CO -0.01 0.62 -0.41 0.59 -1.14 0.00 0.00 176.83 176.48 1tus n ASN 45 N -4.07 -2.25 0.00 3.07 3.02 -0.75 -3.84 115.26 110.44 1tus n ASN 45 Ca -0.01 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 1tus n ASN 45 Cb 0.45 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.70 1tus n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tus n GLY 46 N -1.10 0.47 0.00 7.41 0.00 -1.26 -5.01 105.19 105.71 1tus n GLY 46 Ca -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.26 0.00 -2.05 2.61 -1.04 -1.25 -5.04 114.28 104.25 1tus n THR 47 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 1tus n THR 47 Cb 0.20 -0.49 0.02 0.00 -1.82 0.00 0.00 70.33 68.24 1tus n THR 47 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1tus s LEU 48 N -0.56 3.63 0.00 -4.42 0.20 -1.26 -5.05 118.68 111.21 1tus s LEU 48 Ca 0.00 2.20 -0.04 0.00 0.69 0.00 0.00 54.13 56.98 1tus s LEU 48 Cb 0.00 -4.58 0.02 0.00 -0.43 0.00 0.00 46.19 41.20 1tus s LEU 48 CO 0.00 -1.45 0.51 0.35 -0.29 0.00 0.00 176.35 175.47 1tus n THR 49 N -1.67 0.00 -2.73 3.68 -2.24 -1.26 -4.71 114.28 105.34 1tus n THR 49 Ca 0.12 -1.46 -0.39 0.00 -2.27 0.00 0.00 64.05 60.04 1tus n THR 49 Cb 0.51 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.66 1tus n THR 49 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1tus s LEU 50 N 0.00 4.58 -0.18 3.22 2.96 -1.26 -0.71 118.68 127.29 1tus s LEU 50 Ca 0.24 1.95 0.07 0.00 -0.22 0.00 0.00 54.13 56.17 1tus s LEU 50 Cb -0.02 -3.69 -0.22 0.00 0.50 0.00 0.00 46.19 42.76 1tus s LEU 50 CO 0.17 0.09 0.14 -0.24 -1.32 0.00 0.00 176.35 175.19 1tus n SER 51 N 1.29 1.18 0.00 3.68 2.88 -0.92 -4.79 113.62 116.94 1tus n SER 51 Ca -0.01 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1tus n SER 51 Cb 0.47 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1tus n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tus n HIS 52 N -3.10 0.00 -3.40 0.66 -0.00 -1.24 -5.03 115.22 103.10 1tus n HIS 52 Ca -0.34 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.01 1tus n HIS 52 Cb 1.07 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 31.00 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 3.72 0.00 -1.40 0.40 -1.26 -1.58 117.98 115.86 1tus s PHE 53 Ca 0.00 1.09 0.00 0.00 -0.60 0.00 0.00 56.93 57.42 1tus s PHE 53 Cb 0.00 -2.37 0.00 0.00 0.51 0.00 0.00 43.02 41.16 1tus s PHE 53 CO 0.00 0.58 0.00 0.41 0.70 0.00 0.00 175.22 176.91 1tus n GLY 54 N 1.52 0.99 1.42 4.36 0.00 -1.11 -4.96 105.19 107.42 1tus n GLY 54 Ca -0.11 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.06 0.00 1.61 5.02 -1.02 -4.95 118.16 115.76 1tus n LYS 55 Ca 0.00 2.25 0.14 0.00 -2.02 0.00 0.00 58.31 58.68 1tus n LYS 55 Cb 0.00 -3.66 0.46 0.00 -0.02 0.00 0.00 35.03 31.82 1tus n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88