#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tle h PRO 2 N 0.00 0.53 -5.54 -0.14 0.13 -2.06 -3.44 132.00 121.48 1tle h PRO 2 Ca 0.00 -0.73 -0.65 0.00 -0.87 0.00 0.00 66.00 63.76 1tle h PRO 2 Cb 0.00 0.24 -0.17 0.00 0.13 0.00 0.00 31.00 31.21 1tle h PRO 2 CO 0.00 1.32 -0.61 0.00 -0.23 0.00 0.00 178.00 178.48 1tle s GLN 4 N -0.14 4.26 0.00 0.00 -1.52 -1.26 -4.97 119.66 116.03 1tle s GLN 4 Ca 0.05 2.32 0.00 0.00 -1.95 0.00 0.00 55.36 55.78 1tle s GLN 4 Cb -0.12 -3.09 0.00 0.00 -0.22 0.00 0.00 33.01 29.58 1tle s GLN 4 CO 0.02 -0.41 0.00 0.00 -0.25 0.00 0.00 175.29 174.65 1tle n ASN 6 N 0.00 -2.32 -3.66 0.00 4.13 -1.26 -4.78 115.26 107.37 1tle n ASN 6 Ca 0.00 -0.18 -0.41 0.00 1.68 0.00 0.00 54.58 55.67 1tle n ASN 6 Cb 0.00 -1.01 -0.01 0.00 -1.54 0.00 0.00 39.78 37.22 1tle n ASN 6 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1tle n ASP 7 N -2.58 5.38 -3.13 6.41 2.03 -1.26 -4.60 116.55 118.80 1tle n ASP 7 Ca 0.01 -2.87 -0.18 0.00 0.52 0.00 0.00 54.79 52.27 1tle n ASP 7 Cb 0.60 -1.58 -0.02 0.00 -0.72 0.00 0.00 41.12 39.39 1tle n ASP 7 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1tle n ASN 8 N 4.82 0.21 -3.65 1.67 4.13 -1.26 -5.02 115.26 116.16 1tle n ASN 8 Ca 0.55 -3.02 -0.14 0.00 1.68 0.00 0.00 54.58 53.65 1tle n ASN 8 Cb 0.34 -0.27 -0.07 0.00 -1.54 0.00 0.00 39.78 38.25 1tle n ASN 8 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1tle s ILE 9 N -1.74 0.04 -0.17 2.41 -5.25 -1.26 -1.42 121.20 113.81 1tle s ILE 9 Ca 0.37 -0.33 -0.05 0.00 -0.99 0.00 0.00 60.65 59.65 1tle s ILE 9 Cb 0.30 -0.87 -0.03 0.00 2.95 0.00 0.00 42.46 44.81 1tle s ILE 9 CO -0.09 -0.18 -0.01 -1.81 -1.79 0.00 0.00 174.94 171.06 1tle s ASP 10 N -1.63 4.99 0.00 4.36 1.01 -1.26 -4.93 116.67 119.21 1tle s ASP 10 Ca -0.09 -0.09 0.24 0.00 0.71 0.00 0.00 52.55 53.32 1tle s ASP 10 Cb -0.02 -1.83 1.17 0.00 1.01 0.00 0.00 42.92 43.25 1tle s ASP 10 CO 0.02 0.16 1.79 -0.81 0.21 0.00 0.00 175.17 176.54 1tle n PRO 11 N 3.63 0.27 -0.00 8.23 -0.04 -1.26 -4.01 135.00 141.81 1tle n PRO 11 Ca -0.17 0.07 -0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1tle n PRO 11 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1tle n PRO 11 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1tle h ASN 12 N 0.00 -0.01 -3.17 3.54 4.21 -2.07 -3.46 115.58 114.62 1tle h ASN 12 Ca 0.00 0.00 -0.44 0.00 1.21 0.00 0.00 56.30 57.07 1tle h ASN 12 Cb 0.26 0.00 0.22 0.00 -1.12 0.00 0.00 38.32 37.68 1tle h ASN 12 CO 0.00 0.03 -0.05 0.00 -1.29 0.00 0.00 177.43 176.12 1tle n ALA 13 N -2.05 -3.01 -2.44 -0.83 0.00 -1.26 -5.03 120.51 105.90 1tle n ALA 13 Ca -0.00 -1.21 -0.28 0.00 0.00 0.00 0.00 53.44 51.95 1tle n ALA 13 Cb 0.00 -1.98 -0.12 0.00 0.00 0.00 0.00 19.45 17.35 1tle n ALA 13 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1tle s VAL 14 N -2.39 2.47 0.00 0.00 1.01 -1.26 -4.63 120.40 115.60 1tle s VAL 14 Ca 0.68 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1tle s VAL 14 Cb -0.25 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1tle s VAL 14 CO 0.65 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1tle n GLY 15 N 0.45 0.88 0.18 4.51 0.00 -1.26 -4.91 105.19 105.04 1tle n GLY 15 Ca -0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.96 1tle n GLY 15 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1tle h ASN 16 N 0.00 0.00 -4.04 1.61 -0.26 -1.89 -3.41 115.58 107.60 1tle h ASN 16 Ca 0.00 0.00 -0.63 0.00 -0.56 0.00 0.00 56.30 55.11 1tle h ASN 16 Cb 0.00 0.00 -0.22 0.00 -1.06 0.00 0.00 38.32 37.04 1tle h ASN 16 CO 0.00 0.00 -0.85 0.00 -1.06 0.00 0.00 177.43 175.52 1tle s ASN 18 N -1.99 6.92 0.00 0.00 -0.87 -0.23 -4.63 114.94 114.13 1tle s ASN 18 Ca 0.10 1.14 0.29 0.00 -1.57 0.00 0.00 52.86 52.82 1tle s ASN 18 Cb -0.10 -2.45 1.39 0.00 -0.02 0.00 0.00 41.25 40.07 1tle s ASN 18 CO 0.05 -0.46 1.98 -1.14 -2.57 0.00 0.00 177.10 174.96 1tle n ARG 19 N 5.59 0.30 -0.08 -0.60 3.00 -1.26 -1.89 116.66 121.72 1tle n ARG 19 Ca 0.05 0.01 -0.14 0.00 -0.00 0.00 0.00 57.85 57.77 1tle n ARG 19 Cb 0.48 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.38 1tle n ARG 19 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1tle n LEU 20 N -1.35 2.06 0.05 6.15 -0.00 -1.26 -4.65 117.00 118.00 1tle n LEU 20 Ca 0.12 0.06 0.12 0.00 -0.00 0.00 0.00 56.01 56.30 1tle n LEU 20 Cb 0.26 -0.51 0.07 0.00 -0.00 0.00 0.00 43.42 43.24 1tle n LEU 20 CO 0.23 0.55 0.11 0.35 -0.00 0.00 0.00 177.39 178.63 1tle n THR 21 N -3.35 0.28 -2.71 1.47 -2.24 -1.26 -4.99 114.28 101.48 1tle n THR 21 Ca -0.30 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.09 1tle n THR 21 Cb 0.76 0.02 0.04 0.00 -2.10 0.00 0.00 70.33 69.05 1tle n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tle n GLY 22 N 1.33 -0.59 3.41 3.38 0.00 -0.79 -5.03 105.19 106.90 1tle n GLY 22 Ca 0.02 0.32 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 1tle n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tle s GLU 23 N -3.88 0.99 -0.19 1.61 -1.05 -1.25 -4.83 118.70 110.10 1tle s GLU 23 Ca 0.29 -0.06 -0.37 0.00 -0.15 0.00 0.00 54.97 54.68 1tle s GLU 23 Cb -0.04 0.46 -0.13 0.00 -0.44 0.00 0.00 34.13 33.98 1tle s GLU 23 CO 0.52 -0.33 1.86 0.00 0.95 0.00 0.00 175.26 178.26 1tle h LEU 25 N 8.81 0.09 -6.27 0.00 6.46 -1.42 -3.43 115.31 119.56 1tle h LEU 25 Ca -0.46 -0.13 -0.49 0.00 -0.12 0.00 0.00 57.88 56.68 1tle h LEU 25 Cb 1.29 -0.03 -0.34 0.00 -0.73 0.00 0.00 40.66 40.85 1tle h LEU 25 CO 0.96 1.11 -0.83 -0.54 -0.62 0.00 0.00 178.44 178.52 1tle s LYS 26 N -2.65 0.78 0.80 1.25 1.02 -1.19 -5.01 119.74 114.74 1tle s LYS 26 Ca -0.03 -1.54 -0.15 0.00 0.02 0.00 0.00 55.97 54.27 1tle s LYS 26 Cb 0.09 -1.09 0.01 0.00 -0.52 0.00 0.00 37.83 36.31 1tle s LYS 26 CO 0.83 -1.30 0.65 0.00 -0.92 0.00 0.00 175.35 174.61 1tle h ILE 28 N -0.76 0.00 -0.20 0.00 3.07 -1.53 -3.43 117.51 114.66 1tle h ILE 28 Ca -0.45 -0.34 -0.26 0.00 1.55 0.00 0.00 64.86 65.36 1tle h ILE 28 Cb 1.32 0.00 0.01 0.00 -0.27 0.00 0.00 36.82 37.88 1tle h ILE 28 CO 0.41 0.00 0.79 -1.22 -1.05 0.00 0.00 178.15 177.09 1tle n TYR 29 N -3.01 1.55 -2.97 0.16 4.01 -1.26 -4.42 117.16 111.21 1tle n TYR 29 Ca -0.02 -0.84 -0.10 0.00 -0.16 0.00 0.00 57.90 56.79 1tle n TYR 29 Cb 0.06 -2.29 -0.03 0.00 -0.31 0.00 0.00 39.34 36.76 1tle n TYR 29 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1tle n ASN 30 N 15.38 0.19 -4.36 7.72 5.03 -1.26 -4.85 115.26 133.12 1tle n ASN 30 Ca 0.44 -0.38 -0.27 0.00 0.87 0.00 0.00 54.58 55.24 1tle n ASN 30 Cb 0.46 -0.48 -0.13 0.00 -1.02 0.00 0.00 39.78 38.61 1tle n ASN 30 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1tle s THR 31 N -3.22 2.07 0.23 3.41 -4.23 -1.26 -1.72 115.64 110.92 1tle s THR 31 Ca 0.03 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1tle s THR 31 Cb -0.02 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 1tle s THR 31 CO 0.30 -0.01 0.15 0.00 -0.54 0.00 0.00 174.62 174.52 1tle s ALA 32 N -1.24 1.35 0.00 3.99 0.00 -0.42 -4.19 121.76 121.24 1tle s ALA 32 Ca 0.13 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.32 1tle s ALA 32 Cb -0.09 1.36 0.00 0.00 0.00 0.00 0.00 23.12 24.39 1tle s ALA 32 CO 0.06 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1tle n GLY 33 N -0.35 3.25 0.39 0.00 0.00 -1.26 0.56 105.19 107.78 1tle n GLY 33 Ca 0.03 -1.95 0.21 0.00 0.00 0.00 0.00 46.02 44.31 1tle n GLY 33 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tle h PHE 34 N 0.00 0.00 -0.14 1.61 3.04 -1.99 -1.50 116.94 117.96 1tle h PHE 34 Ca 0.00 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.83 1tle h PHE 34 Cb 0.00 0.00 -0.12 0.00 2.56 0.00 0.00 35.95 38.39 1tle h PHE 34 CO 0.00 0.00 -0.61 0.66 -2.02 0.00 0.00 178.31 176.34 1tle n TYR 35 N -4.31 0.52 -2.13 0.41 4.01 -1.26 -4.05 117.16 110.35 1tle n TYR 35 Ca 0.10 -1.56 -0.10 0.00 -0.16 0.00 0.00 57.90 56.18 1tle n TYR 35 Cb 0.64 -0.26 -0.02 0.00 -0.31 0.00 0.00 39.34 39.39 1tle n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tle n ASP 37 N -1.31 4.51 -2.63 0.00 9.92 -1.19 -4.57 116.55 121.28 1tle n ASP 37 Ca -0.12 -2.72 -0.12 0.00 -0.53 0.00 0.00 54.79 51.30 1tle n ASP 37 Cb 0.52 -0.65 -0.03 0.00 -0.64 0.00 0.00 41.12 40.32 1tle n ASP 37 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1tle n ARG 38 N 0.41 0.76 -5.26 -1.24 0.63 0.19 -4.88 116.66 107.28 1tle n ARG 38 Ca 0.22 -1.67 -0.31 0.00 -0.92 0.00 0.00 57.85 55.17 1tle n ARG 38 Cb 0.98 0.91 -0.16 0.00 0.45 0.00 0.00 32.46 34.64 1tle n ARG 38 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1tle n LYS 40 N 2.94 1.24 -1.69 0.00 2.85 -0.70 -4.45 118.16 118.35 1tle n LYS 40 Ca -0.17 0.46 -0.42 0.00 -1.05 0.00 0.00 58.31 57.13 1tle n LYS 40 Cb 0.52 -2.25 -0.03 0.00 -0.65 0.00 0.00 35.03 32.62 1tle n LYS 40 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1tle s GLU 41 N -2.59 4.13 0.00 -1.58 2.56 -1.26 -1.66 118.70 118.30 1tle s GLU 41 Ca 0.71 2.62 0.00 0.00 0.00 0.00 0.00 54.97 58.30 1tle s GLU 41 Cb -0.45 -3.77 0.00 0.00 2.00 0.00 0.00 34.13 31.90 1tle s GLU 41 CO 0.50 -0.88 0.00 0.41 -0.56 0.00 0.00 175.26 174.73 1tle n GLY 42 N 4.35 1.46 3.16 -1.50 0.00 -1.26 -5.04 105.19 106.35 1tle n GLY 42 Ca 0.18 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1tle n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tle s PHE 43 N -0.58 2.25 0.52 1.61 0.08 -0.67 -4.48 117.98 116.72 1tle s PHE 43 Ca 0.00 -0.91 0.01 0.00 0.12 0.00 0.00 56.93 56.15 1tle s PHE 43 Cb 0.00 -1.53 -0.00 0.00 -0.57 0.00 0.00 43.02 40.92 1tle s PHE 43 CO 0.00 -0.39 0.06 -0.06 -0.10 0.00 0.00 175.22 174.74 1tle s PHE 44 N 0.45 1.79 -0.68 0.36 0.08 -0.20 -4.09 117.98 115.69 1tle s PHE 44 Ca -0.17 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 55.92 1tle s PHE 44 Cb -0.17 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1tle s PHE 44 CO 0.07 0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.71 1tle n GLY 45 N -1.36 0.27 3.15 4.36 0.00 -1.26 0.21 105.19 110.57 1tle n GLY 45 Ca -0.17 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 1tle n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tle s ASN 46 N -4.00 4.77 0.00 1.61 0.01 -0.40 -4.82 114.94 112.12 1tle s ASN 46 Ca 0.00 -1.29 0.27 0.00 -0.71 0.00 0.00 52.86 51.13 1tle s ASN 46 Cb 0.00 -1.67 1.16 0.00 0.41 0.00 0.00 41.25 41.14 1tle s ASN 46 CO 0.00 -0.24 1.86 -0.81 -1.51 0.00 0.00 177.10 176.40 1tle n PRO 47 N 4.58 0.02 -1.51 -0.60 -0.04 -1.26 -3.45 135.00 132.73 1tle n PRO 47 Ca -0.13 0.04 -0.25 0.00 -0.04 0.00 0.00 63.50 63.11 1tle n PRO 47 Cb 0.43 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.47 1tle n PRO 47 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1tle n LEU 48 N -1.49 6.02 -4.90 1.53 4.77 -1.26 -4.95 117.00 116.72 1tle n LEU 48 Ca 0.07 -4.36 -0.29 0.00 -0.03 0.00 0.00 56.01 51.40 1tle n LEU 48 Cb 0.31 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 1tle n LEU 48 CO 0.25 1.67 0.15 0.00 -1.33 0.00 0.00 177.39 178.12 1tle s ALA 49 N -3.62 3.67 0.21 -1.18 0.00 -1.22 -4.98 121.76 114.63 1tle s ALA 49 Ca 0.56 -0.55 0.10 0.00 0.00 0.00 0.00 51.96 52.06 1tle s ALA 49 Cb 0.45 -2.25 0.18 0.00 0.00 0.00 0.00 23.12 21.51 1tle s ALA 49 CO 0.02 0.38 1.51 -1.00 0.00 0.00 0.00 175.76 176.67 1tle h PRO 50 N 2.05 0.00 -5.64 0.00 0.13 -1.94 -3.43 132.00 123.16 1tle h PRO 50 Ca -0.47 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 1tle h PRO 50 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1tle h PRO 50 CO 0.68 0.73 -0.51 -0.80 -0.23 0.00 0.00 178.00 177.87 1tle s ASN 51 N -6.77 6.15 0.46 1.44 0.01 -1.26 -4.98 114.94 109.99 1tle s ASN 51 Ca -0.00 0.38 0.27 0.00 -0.71 0.00 0.00 52.86 52.80 1tle s ASN 51 Cb 0.12 -1.97 0.80 0.00 0.41 0.00 0.00 41.25 40.60 1tle s ASN 51 CO 0.78 0.37 1.77 1.55 -1.51 0.00 0.00 177.10 180.06 1tle h PRO 52 N 5.25 0.00 0.00 -0.60 0.13 -1.99 -2.94 132.00 131.85 1tle h PRO 52 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1tle h PRO 52 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1tle h PRO 52 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 1tle h ALA 53 N 2.05 1.00 -0.20 -0.56 0.00 -1.97 -2.93 119.26 116.64 1tle h ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tle h ALA 53 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1tle h ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1tle n ASP 54 N -2.80 3.31 0.00 0.00 9.92 -1.12 -4.95 116.55 120.91 1tle n ASP 54 Ca 0.03 -2.82 0.00 0.00 -0.53 0.00 0.00 54.79 51.47 1tle n ASP 54 Cb 0.38 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 1tle n ASP 54 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1tle n LYS 55 N -0.54 0.25 -3.39 -1.24 3.00 -1.11 -3.87 118.16 111.25 1tle n LYS 55 Ca 0.17 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 58.04 1tle n LYS 55 Cb 0.73 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.69 1tle n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1tle s LYS 57 N 1.59 2.46 0.00 0.00 -0.14 0.57 -4.34 119.74 119.89 1tle s LYS 57 Ca 0.04 -1.57 0.07 0.00 -1.36 0.00 0.00 55.97 53.15 1tle s LYS 57 Cb -0.26 -2.27 0.43 0.00 -1.68 0.00 0.00 37.83 34.05 1tle s LYS 57 CO 0.04 -0.07 0.89 0.00 -0.76 0.00 0.00 175.35 175.45