#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tle s PRO 2 N 0.00 0.67 -0.58 -0.14 0.04 -1.26 -5.04 135.00 128.70 1tle s PRO 2 Ca 0.00 -0.25 -0.00 0.00 0.04 0.00 0.00 61.00 60.79 1tle s PRO 2 Cb 0.00 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.85 1tle s PRO 2 CO 0.00 -2.42 0.36 0.00 0.04 0.00 0.00 177.00 174.98 1tle s GLN 4 N -0.10 0.43 0.00 0.00 -0.21 -1.26 -4.61 119.66 113.90 1tle s GLN 4 Ca 0.17 1.06 0.00 0.00 0.02 0.00 0.00 55.36 56.61 1tle s GLN 4 Cb -0.22 0.37 0.00 0.00 1.00 0.00 0.00 33.01 34.16 1tle s GLN 4 CO -0.02 -0.35 0.00 0.00 -2.12 0.00 0.00 175.29 172.80 1tle n ASN 6 N 0.00 -2.58 -3.68 0.00 3.02 -1.26 -4.74 115.26 106.02 1tle n ASN 6 Ca 0.00 -0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 53.83 1tle n ASN 6 Cb 0.00 -0.37 -0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1tle n ASN 6 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1tle n ASP 7 N -3.35 5.35 -3.06 6.41 -0.08 -1.26 -4.62 116.55 115.94 1tle n ASP 7 Ca 0.05 -2.91 -0.17 0.00 -1.51 0.00 0.00 54.79 50.25 1tle n ASP 7 Cb 0.21 -1.56 -0.02 0.00 2.34 0.00 0.00 41.12 42.08 1tle n ASP 7 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1tle n ASN 8 N 4.66 1.27 -3.74 1.67 3.02 -1.26 -4.93 115.26 115.95 1tle n ASN 8 Ca 0.53 -3.02 -0.12 0.00 -0.03 0.00 0.00 54.58 51.95 1tle n ASN 8 Cb 0.34 -0.60 -0.07 0.00 -0.61 0.00 0.00 39.78 38.85 1tle n ASN 8 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1tle s ILE 9 N -2.76 0.08 -0.16 2.41 -5.25 -1.26 -1.35 121.20 112.91 1tle s ILE 9 Ca 0.38 -0.65 -0.04 0.00 -0.99 0.00 0.00 60.65 59.35 1tle s ILE 9 Cb 0.37 -0.94 -0.03 0.00 2.95 0.00 0.00 42.46 44.81 1tle s ILE 9 CO -0.06 -0.36 -0.02 -1.81 -1.79 0.00 0.00 174.94 170.90 1tle s ASP 10 N -2.06 4.89 0.00 4.36 1.11 -1.26 -4.92 116.67 118.79 1tle s ASP 10 Ca -0.05 -0.12 0.26 0.00 0.18 0.00 0.00 52.55 52.82 1tle s ASP 10 Cb -0.01 -1.81 1.37 0.00 1.07 0.00 0.00 42.92 43.54 1tle s ASP 10 CO -0.03 0.15 1.89 -0.81 1.18 0.00 0.00 175.17 177.55 1tle n PRO 11 N 3.64 0.47 0.00 8.23 -0.04 -1.26 -4.10 135.00 141.94 1tle n PRO 11 Ca -0.17 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 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 0.09 -0.04 0.00 0.00 175.50 175.55 1tle n ASN 12 N -1.22 0.00 -4.55 3.54 5.03 -1.26 -4.87 115.26 111.93 1tle n ASN 12 Ca 0.14 0.43 -0.31 0.00 0.87 0.00 0.00 54.58 55.70 1tle n ASN 12 Cb 0.18 -0.39 0.16 0.00 -1.02 0.00 0.00 39.78 38.71 1tle n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1tle n ALA 13 N -1.68 -1.76 -2.71 5.41 0.00 -1.26 -4.99 120.51 113.52 1tle n ALA 13 Ca 0.00 -0.67 -0.34 0.00 0.00 0.00 0.00 53.44 52.43 1tle n ALA 13 Cb 0.00 -2.02 -0.09 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 -2.52 4.44 0.00 0.00 1.01 -1.26 -4.42 120.40 117.65 1tle s VAL 14 Ca 0.63 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1tle s VAL 14 Cb -0.22 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1tle s VAL 14 CO 0.62 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.85 1tle n GLY 15 N 1.83 0.86 0.61 4.51 0.00 -1.26 -4.94 105.19 106.80 1tle n GLY 15 Ca -0.17 0.00 0.47 0.00 0.00 0.00 0.00 46.02 46.32 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 0.08 -3.25 1.61 2.35 -1.85 -3.34 115.58 111.18 1tle h ASN 16 Ca 0.00 0.06 -0.63 0.00 -0.55 0.00 0.00 56.30 55.18 1tle h ASN 16 Cb 0.00 0.06 -0.34 0.00 0.05 0.00 0.00 38.32 38.09 1tle h ASN 16 CO 0.00 -0.09 -0.85 0.00 -1.65 0.00 0.00 177.43 174.83 1tle s ASN 18 N 0.83 5.92 0.28 0.00 0.02 0.63 -4.88 114.94 117.75 1tle s ASN 18 Ca -0.08 -0.15 0.16 0.00 -1.02 0.00 0.00 52.86 51.77 1tle s ASN 18 Cb -0.16 -2.10 0.08 0.00 0.02 0.00 0.00 41.25 39.10 1tle s ASN 18 CO -0.00 -0.10 1.41 0.08 0.02 0.00 0.00 177.10 178.51 1tle h ARG 19 N 8.38 0.00 0.08 -0.60 0.11 -1.86 0.99 114.38 121.49 1tle h ARG 19 Ca -0.34 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.38 1tle h ARG 19 Cb 1.18 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.23 1tle h ARG 19 CO 0.57 0.42 -2.06 1.47 0.10 0.00 0.00 179.97 180.47 1tle n LEU 20 N -3.18 2.38 -0.35 0.08 -0.00 -1.26 -3.95 117.00 110.72 1tle n LEU 20 Ca 0.01 0.17 0.07 0.00 -0.00 0.00 0.00 56.01 56.26 1tle n LEU 20 Cb 0.71 -0.86 0.26 0.00 -0.00 0.00 0.00 43.42 43.54 1tle n LEU 20 CO 0.40 0.80 0.69 0.35 -0.00 0.00 0.00 177.39 179.63 1tle n THR 21 N -3.36 0.20 0.00 1.47 -2.24 -1.25 -4.94 114.28 104.15 1tle n THR 21 Ca -0.33 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1tle n THR 21 Cb 1.04 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 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 0.90 2.31 0.00 3.38 0.00 -1.06 -4.85 105.19 105.87 1tle n GLY 22 Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1tle n GLY 22 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1tle n GLU 23 N 0.00 0.00 -3.45 1.61 4.07 0.34 -4.37 120.64 118.83 1tle n GLU 23 Ca 0.00 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.71 1tle n GLU 23 Cb 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.28 1tle n GLU 23 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1tle n LEU 25 N 5.25 0.02 -2.85 0.00 0.00 -0.75 -4.69 117.00 113.97 1tle n LEU 25 Ca -0.10 -0.35 -0.08 0.00 0.00 0.00 0.00 56.01 55.48 1tle n LEU 25 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.93 1tle n LEU 25 CO 0.36 0.00 0.07 0.29 0.00 0.00 0.00 177.39 178.11 1tle n LYS 26 N -1.17 0.55 -1.61 1.96 5.02 -1.22 -5.00 118.16 116.70 1tle n LYS 26 Ca 0.00 -2.16 -0.40 0.00 -2.02 0.00 0.00 58.31 53.74 1tle n LYS 26 Cb 0.01 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.56 1tle n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tle n ILE 28 N -0.94 0.91 -1.52 0.00 -5.35 -0.46 -4.72 119.36 107.28 1tle n ILE 28 Ca 0.11 0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 62.75 1tle n ILE 28 Cb 0.42 -2.03 -0.10 0.00 -1.74 0.00 0.00 39.64 36.19 1tle n ILE 28 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1tle n TYR 29 N -3.71 0.84 -2.65 4.28 4.01 -1.26 -4.27 117.16 114.40 1tle n TYR 29 Ca -0.07 -0.12 -0.01 0.00 -0.16 0.00 0.00 57.90 57.53 1tle n TYR 29 Cb 0.27 -2.39 -0.00 0.00 -0.31 0.00 0.00 39.34 36.91 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 18.29 0.02 -4.38 7.72 3.02 -1.26 -4.73 115.26 133.94 1tle n ASN 30 Ca 0.39 -0.04 -0.29 0.00 -0.03 0.00 0.00 54.58 54.61 1tle n ASN 30 Cb 0.46 -0.05 -0.13 0.00 -0.61 0.00 0.00 39.78 39.45 1tle n ASN 30 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1tle s THR 31 N -3.20 2.21 0.29 3.41 -4.23 -1.26 -1.77 115.64 111.09 1tle s THR 31 Ca 0.00 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1tle s THR 31 Cb -0.00 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1tle s THR 31 CO 0.03 0.10 0.01 0.00 -0.54 0.00 0.00 174.62 174.22 1tle n ALA 32 N 0.98 0.26 0.00 3.99 0.00 -0.46 -4.61 120.51 120.66 1tle n ALA 32 Ca -0.18 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1tle n ALA 32 Cb 0.53 0.70 0.00 0.00 0.00 0.00 0.00 19.45 20.68 1tle n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tle n GLY 33 N 1.53 -0.44 0.33 0.00 0.00 -1.26 -1.29 105.19 104.05 1tle n GLY 33 Ca -0.11 -1.51 0.16 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.16 1.61 3.57 -1.98 -1.53 116.94 118.45 1tle h PHE 34 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1tle h PHE 34 Cb 0.00 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1tle h PHE 34 CO 0.00 0.00 -0.20 0.66 -2.23 0.00 0.00 178.31 176.54 1tle n TYR 35 N -4.24 0.50 -3.68 0.41 4.01 -1.26 -4.27 117.16 108.62 1tle n TYR 35 Ca 0.03 -1.37 -0.24 0.00 -0.16 0.00 0.00 57.90 56.16 1tle n TYR 35 Cb 0.36 -0.32 0.03 0.00 -0.31 0.00 0.00 39.34 39.10 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 -2.94 1.03 -2.13 0.00 9.92 -0.41 -4.79 116.55 117.23 1tle n ASP 37 Ca -0.21 -0.87 -0.07 0.00 -0.53 0.00 0.00 54.79 53.11 1tle n ASP 37 Cb 0.65 0.64 -0.02 0.00 -0.64 0.00 0.00 41.12 41.75 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 -1.19 0.85 -5.10 -1.24 0.63 -1.09 -4.86 116.66 104.65 1tle n ARG 38 Ca 0.06 -0.95 -0.32 0.00 -0.92 0.00 0.00 57.85 55.72 1tle n ARG 38 Cb 0.36 0.51 -0.15 0.00 0.45 0.00 0.00 32.46 33.62 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 2.96 0.67 -1.68 0.00 4.81 -0.73 -4.64 118.16 119.55 1tle n LYS 40 Ca -0.18 0.28 -0.42 0.00 -0.87 0.00 0.00 58.31 57.12 1tle n LYS 40 Cb 0.52 -2.26 -0.03 0.00 0.02 0.00 0.00 35.03 33.28 1tle n LYS 40 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1tle n GLU 41 N -1.73 2.79 0.00 1.64 1.02 -1.26 -1.65 120.64 121.45 1tle n GLU 41 Ca 0.14 1.02 0.00 0.00 -0.02 0.00 0.00 57.16 58.29 1tle n GLU 41 Cb 0.49 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 28.99 1tle n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tle n GLY 42 N 4.29 1.77 3.07 0.62 0.00 -1.26 -5.04 105.19 108.63 1tle n GLY 42 Ca 0.18 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.48 1.81 0.47 1.61 0.40 -0.66 -4.65 117.98 116.47 1tle s PHE 43 Ca 0.00 -0.74 0.01 0.00 -0.60 0.00 0.00 56.93 55.61 1tle s PHE 43 Cb 0.00 -1.29 -0.00 0.00 0.51 0.00 0.00 43.02 42.24 1tle s PHE 43 CO 0.00 -0.36 0.05 1.19 0.70 0.00 0.00 175.22 176.80 1tle n PHE 44 N 3.86 0.82 0.00 0.36 3.01 0.44 -3.87 117.46 122.08 1tle n PHE 44 Ca -0.21 -2.48 0.00 0.00 1.01 0.00 0.00 57.45 55.77 1tle n PHE 44 Cb 0.52 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1tle n PHE 44 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tle n GLY 45 N -0.86 0.52 2.78 1.37 0.00 -1.26 0.60 105.19 108.35 1tle n GLY 45 Ca -0.16 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 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 3.84 0.00 1.61 -0.87 -0.48 -4.83 114.94 110.22 1tle s ASN 46 Ca 0.00 -1.46 0.30 0.00 -1.57 0.00 0.00 52.86 50.14 1tle s ASN 46 Cb 0.00 -0.90 1.73 0.00 -0.02 0.00 0.00 41.25 42.06 1tle s ASN 46 CO 0.00 -0.37 2.12 -0.81 -2.57 0.00 0.00 177.10 175.47 1tle n PRO 47 N 4.82 0.81 -1.51 -0.60 -0.04 -1.26 -3.45 135.00 133.77 1tle n PRO 47 Ca -0.04 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.16 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 -1.08 6.10 -4.62 1.53 4.77 -1.26 -4.99 117.00 117.45 1tle n LEU 48 Ca 0.20 -4.35 -0.25 0.00 -0.03 0.00 0.00 56.01 51.58 1tle n LEU 48 Cb 0.14 -0.68 -0.08 0.00 -2.33 0.00 0.00 43.42 40.47 1tle n LEU 48 CO 0.19 1.66 -0.36 0.00 -1.33 0.00 0.00 177.39 177.55 1tle s ALA 49 N -3.63 3.10 -0.24 -1.18 0.00 -1.22 -5.01 121.76 113.57 1tle s ALA 49 Ca 0.56 -1.50 0.25 0.00 0.00 0.00 0.00 51.96 51.27 1tle s ALA 49 Cb 0.46 -0.83 0.60 0.00 0.00 0.00 0.00 23.12 23.35 1tle s ALA 49 CO 0.02 0.40 1.70 -1.00 0.00 0.00 0.00 175.76 176.88 1tle h PRO 50 N 2.50 0.00 -5.32 0.00 0.13 -1.94 -3.43 132.00 123.94 1tle h PRO 50 Ca -0.46 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.06 1tle h PRO 50 Cb 1.22 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 1tle h PRO 50 CO 0.57 0.06 -0.50 -0.80 -0.23 0.00 0.00 178.00 177.11 1tle s ASN 51 N -6.11 6.16 0.42 1.44 -0.87 -1.26 -4.97 114.94 109.75 1tle s ASN 51 Ca 0.05 0.24 0.27 0.00 -1.57 0.00 0.00 52.86 51.84 1tle s ASN 51 Cb 0.07 -2.07 0.77 0.00 -0.02 0.00 0.00 41.25 39.99 1tle s ASN 51 CO 0.64 0.21 1.75 1.55 -2.57 0.00 0.00 177.10 178.68 1tle h PRO 52 N 6.47 0.00 0.00 -0.60 0.13 -1.97 -3.07 132.00 132.96 1tle h PRO 52 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1tle h PRO 52 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1tle h PRO 52 CO 0.73 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.38 1tle h ALA 53 N 2.11 0.97 -0.51 -0.56 0.00 -1.98 -2.88 119.26 116.41 1tle h ALA 53 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1tle h ALA 53 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1tle h ALA 53 CO 0.00 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.15 1tle n ASP 54 N -3.19 4.02 0.00 0.00 9.92 -1.16 -4.93 116.55 121.21 1tle n ASP 54 Ca 0.02 -2.37 0.00 0.00 -0.53 0.00 0.00 54.79 51.90 1tle n ASP 54 Cb 0.46 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 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 0.73 2.48 -3.36 -1.24 3.00 -1.09 -2.89 118.16 115.78 1tle n LYS 55 Ca 0.21 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 58.08 1tle n LYS 55 Cb 0.73 0.00 -0.08 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 n LYS 57 N 5.31 3.87 0.00 0.00 5.02 0.20 -4.59 118.16 127.97 1tle n LYS 57 Ca -0.12 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.23 1tle n LYS 57 Cb 0.44 0.00 0.32 0.00 -0.02 0.00 0.00 35.03 35.77 1tle n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88