#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 3.42 0.93 5.56 0.04 -1.26 -5.02 135.00 138.66 1tle s PRO 2 Ca 0.00 1.04 -0.10 0.00 0.04 0.00 0.00 61.00 61.98 1tle s PRO 2 Cb 0.00 -2.05 0.15 0.00 0.04 0.00 0.00 34.50 32.64 1tle s PRO 2 CO 0.00 -0.72 1.14 0.00 0.04 0.00 0.00 177.00 177.46 1tle s GLN 4 N -4.65 0.49 0.35 0.00 -2.07 -1.26 -5.09 119.66 107.43 1tle s GLN 4 Ca 0.67 1.10 -0.15 0.00 -1.82 0.00 0.00 55.36 55.16 1tle s GLN 4 Cb -0.23 0.65 0.04 0.00 -1.09 0.00 0.00 33.01 32.38 1tle s GLN 4 CO 0.58 -0.31 0.71 0.00 -1.32 0.00 0.00 175.29 174.96 1tle n ASN 6 N -1.15 -2.24 -4.18 0.00 4.13 -1.26 -4.74 115.26 105.81 1tle n ASN 6 Ca -0.06 0.35 -0.42 0.00 1.68 0.00 0.00 54.58 56.13 1tle n ASN 6 Cb 0.60 -1.18 -0.00 0.00 -1.54 0.00 0.00 39.78 37.66 1tle n ASN 6 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1tle n ASP 7 N -0.92 4.33 -3.08 6.41 9.92 -1.26 -4.66 116.55 127.29 1tle n ASP 7 Ca 0.06 -2.87 -0.19 0.00 -0.53 0.00 0.00 54.79 51.27 1tle n ASP 7 Cb 0.53 -1.69 -0.03 0.00 -0.64 0.00 0.00 41.12 39.29 1tle n ASP 7 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1tle n ASN 8 N 7.58 -0.41 -3.36 -2.24 3.02 -1.26 -4.98 115.26 113.61 1tle n ASN 8 Ca 0.50 -2.95 -0.13 0.00 -0.03 0.00 0.00 54.58 51.97 1tle n ASN 8 Cb 0.43 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 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 -1.02 0.00 0.04 2.41 -4.36 -1.26 -1.11 121.20 115.89 1tle s ILE 9 Ca 0.35 -1.52 0.02 0.00 -0.26 0.00 0.00 60.65 59.23 1tle s ILE 9 Cb 0.23 -2.59 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 1tle s ILE 9 CO -0.12 0.00 0.04 -1.81 0.24 0.00 0.00 174.94 173.29 1tle s ASP 10 N -3.19 5.34 0.06 4.36 1.11 -1.26 -4.83 116.67 118.26 1tle s ASP 10 Ca 0.28 -0.00 -0.15 0.00 0.18 0.00 0.00 52.55 52.86 1tle s ASP 10 Cb -0.01 -1.42 -0.27 0.00 1.07 0.00 0.00 42.92 42.29 1tle s ASP 10 CO 0.17 0.23 1.13 1.55 1.18 0.00 0.00 175.17 179.43 1tle h PRO 11 N 3.82 0.65 0.00 8.23 0.13 -2.01 -3.27 132.00 139.55 1tle h PRO 11 Ca -0.48 -0.80 0.00 0.00 -0.87 0.00 0.00 66.00 63.85 1tle h PRO 11 Cb 1.17 0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1tle h PRO 11 CO 0.61 1.36 0.00 0.09 -0.23 0.00 0.00 178.00 179.83 1tle n ASN 12 N -3.84 0.00 -2.98 1.44 5.03 -1.26 -4.84 115.26 108.82 1tle n ASN 12 Ca -0.13 -0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.14 1tle n ASN 12 Cb 0.94 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 39.44 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 -1.26 0.00 -3.50 5.41 0.00 -1.23 -4.91 120.51 115.02 1tle n ALA 13 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 1tle n ALA 13 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.86 5.10 0.00 0.00 1.01 -1.26 -4.66 120.40 119.73 1tle s VAL 14 Ca 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 61.98 58.37 1tle s VAL 14 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1tle s VAL 14 CO 0.00 -1.12 0.00 0.61 0.00 0.00 0.00 175.10 174.59 1tle n GLY 15 N 2.57 2.93 2.44 4.51 0.00 -1.26 -4.28 105.19 112.10 1tle n GLY 15 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1tle n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tle n ASN 16 N 0.25 -4.27 -4.35 1.61 3.02 -1.26 -4.91 115.26 105.34 1tle n ASN 16 Ca 0.00 0.21 -0.19 0.00 -0.03 0.00 0.00 54.58 54.58 1tle n ASN 16 Cb 0.00 -3.30 -0.10 0.00 -0.61 0.00 0.00 39.78 35.77 1tle n ASN 16 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tle s ASN 18 N -3.29 6.86 0.60 0.00 -0.87 -0.17 -4.68 114.94 113.38 1tle s ASN 18 Ca 0.22 1.86 0.39 0.00 -1.57 0.00 0.00 52.86 53.76 1tle s ASN 18 Cb -0.01 -2.54 1.90 0.00 -0.02 0.00 0.00 41.25 40.59 1tle s ASN 18 CO 0.07 -0.81 2.17 0.03 -2.57 0.00 0.00 177.10 175.99 1tle h ARG 19 N 8.58 0.00 0.03 -0.60 3.08 -1.95 -1.22 114.38 122.30 1tle h ARG 19 Ca -0.31 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.36 1tle h ARG 19 Cb 1.13 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 1tle h ARG 19 CO 0.96 0.00 -2.36 1.47 -1.07 0.00 0.00 179.97 178.98 1tle n LEU 20 N -3.03 2.78 -0.04 3.04 -0.00 -1.26 -4.78 117.00 113.71 1tle n LEU 20 Ca -0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.01 55.96 1tle n LEU 20 Cb 0.17 -0.95 -0.01 0.00 -0.00 0.00 0.00 43.42 42.64 1tle n LEU 20 CO 0.23 0.87 -0.24 0.35 -0.00 0.00 0.00 177.39 178.60 1tle n THR 21 N -3.44 0.84 0.00 1.47 -2.24 -1.19 -5.08 114.28 104.63 1tle n THR 21 Ca -0.44 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1tle n THR 21 Cb 0.98 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 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 1.64 0.84 3.63 3.38 0.00 -0.47 -4.98 105.19 109.22 1tle n GLY 22 Ca -0.05 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 1tle n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tle s GLU 23 N -0.17 0.12 -0.30 1.61 2.56 -1.26 -4.84 118.70 116.42 1tle s GLU 23 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 54.97 54.53 1tle s GLU 23 Cb 0.00 0.05 -0.16 0.00 2.00 0.00 0.00 34.13 36.03 1tle s GLU 23 CO 0.00 -0.05 1.78 0.00 -0.56 0.00 0.00 175.26 176.43 1tle n LEU 25 N 5.69 2.10 -2.74 0.00 -0.00 -0.61 -4.57 117.00 116.88 1tle n LEU 25 Ca 0.28 -3.17 -0.09 0.00 -0.00 0.00 0.00 56.01 53.03 1tle n LEU 25 Cb 0.13 -0.36 0.08 0.00 -0.00 0.00 0.00 43.42 43.26 1tle n LEU 25 CO 0.81 1.03 0.30 0.29 -0.00 0.00 0.00 177.39 179.82 1tle n LYS 26 N -0.73 0.94 -1.56 1.96 5.02 -1.26 -4.89 118.16 117.64 1tle n LYS 26 Ca 0.14 -1.85 -0.37 0.00 -2.02 0.00 0.00 58.31 54.21 1tle n LYS 26 Cb 0.79 -1.15 0.06 0.00 -0.02 0.00 0.00 35.03 34.70 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 -1.96 0.80 -1.57 0.00 -6.64 -0.27 -4.84 119.36 104.89 1tle n ILE 28 Ca 0.14 0.26 -0.14 0.00 -1.77 0.00 0.00 62.75 61.24 1tle n ILE 28 Cb 0.48 -1.62 -0.12 0.00 -1.44 0.00 0.00 39.64 36.95 1tle n ILE 28 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 1tle n TYR 29 N -3.33 0.88 -3.14 4.28 4.01 -1.26 -4.30 117.16 114.31 1tle n TYR 29 Ca -0.03 -0.15 -0.08 0.00 -0.16 0.00 0.00 57.90 57.48 1tle n TYR 29 Cb 0.13 -2.57 -0.01 0.00 -0.31 0.00 0.00 39.34 36.58 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 19.71 -0.08 -4.32 7.72 4.13 -1.26 -4.81 115.26 136.36 1tle n ASN 30 Ca 0.40 -0.28 -0.29 0.00 1.68 0.00 0.00 54.58 56.10 1tle n ASN 30 Cb 0.47 -0.34 -0.14 0.00 -1.54 0.00 0.00 39.78 38.22 1tle n ASN 30 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1tle s THR 31 N -3.67 2.00 0.00 3.41 -4.23 -1.26 -1.57 115.64 110.32 1tle s THR 31 Ca 0.03 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1tle s THR 31 Cb -0.02 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.11 1tle s THR 31 CO 0.22 0.31 0.00 0.00 -0.54 0.00 0.00 174.62 174.60 1tle n ALA 32 N 1.77 0.00 0.00 3.99 0.00 -0.32 -4.74 120.51 121.21 1tle n ALA 32 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1tle n ALA 32 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 5.00 0.16 0.40 0.00 0.00 -1.26 -0.30 105.19 109.19 1tle n GLY 33 Ca 0.00 -1.53 0.22 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.51 1.61 3.57 -1.98 -1.38 116.94 118.24 1tle h PHE 34 Ca 0.00 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.13 1tle h PHE 34 Cb 0.00 0.00 -0.36 0.00 2.79 0.00 0.00 35.95 38.38 1tle h PHE 34 CO 0.00 0.00 -0.87 0.66 -2.23 0.00 0.00 178.31 175.87 1tle n TYR 35 N -3.93 1.79 -3.71 0.41 4.01 -1.26 -4.61 117.16 109.86 1tle n TYR 35 Ca 0.10 -1.98 -0.24 0.00 -0.16 0.00 0.00 57.90 55.62 1tle n TYR 35 Cb 0.70 -0.29 0.03 0.00 -0.31 0.00 0.00 39.34 39.47 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 -2.95 1.34 -2.65 0.00 8.00 0.59 -4.47 116.55 116.42 1tle n ASP 37 Ca -0.23 -1.10 -0.12 0.00 0.71 0.00 0.00 54.79 54.04 1tle n ASP 37 Cb 0.65 0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 42.33 1tle n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1tle n ARG 38 N -0.83 0.74 -5.12 -1.24 1.74 -0.86 -4.74 116.66 106.35 1tle n ARG 38 Ca 0.07 -1.72 -0.29 0.00 -0.77 0.00 0.00 57.85 55.14 1tle n ARG 38 Cb 0.39 0.95 -0.16 0.00 -1.02 0.00 0.00 32.46 32.62 1tle n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tle n LYS 40 N 2.92 0.93 -1.73 0.00 4.81 -0.61 -4.70 118.16 119.78 1tle n LYS 40 Ca -0.17 0.36 -0.42 0.00 -0.87 0.00 0.00 58.31 57.21 1tle n LYS 40 Cb 0.52 -2.25 -0.02 0.00 0.02 0.00 0.00 35.03 33.30 1tle n LYS 40 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1tle n GLU 41 N -1.24 2.71 0.00 1.64 0.28 -1.26 -2.44 120.64 120.33 1tle n GLU 41 Ca 0.14 0.97 0.00 0.00 -0.16 0.00 0.00 57.16 58.11 1tle n GLU 41 Cb 0.48 -2.78 0.00 0.00 1.43 0.00 0.00 31.44 30.56 1tle n GLU 41 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1tle n GLY 42 N 3.03 2.32 3.12 -1.84 0.00 -1.26 -5.04 105.19 105.51 1tle n GLY 42 Ca 0.12 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.31 2.03 0.46 1.61 0.40 -1.02 -4.39 117.98 116.76 1tle s PHE 43 Ca 0.00 -0.82 0.06 0.00 -0.60 0.00 0.00 56.93 55.57 1tle s PHE 43 Cb 0.00 -1.41 -0.02 0.00 0.51 0.00 0.00 43.02 42.10 1tle s PHE 43 CO 0.00 -0.36 0.22 -0.06 0.70 0.00 0.00 175.22 175.71 1tle s PHE 44 N 0.54 2.26 -2.80 0.36 0.08 0.32 -4.39 117.98 114.35 1tle s PHE 44 Ca -0.16 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.19 1tle s PHE 44 Cb -0.17 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.37 1tle s PHE 44 CO 0.06 0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.60 1tle n GLY 45 N -1.39 0.54 3.14 4.36 0.00 -1.26 0.51 105.19 111.10 1tle n GLY 45 Ca -0.04 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 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 4.91 0.15 1.61 0.01 -0.48 -4.79 114.94 112.36 1tle s ASN 46 Ca 0.00 -1.49 0.27 0.00 -0.71 0.00 0.00 52.86 50.92 1tle s ASN 46 Cb 0.00 -1.71 0.93 0.00 0.41 0.00 0.00 41.25 40.88 1tle s ASN 46 CO 0.00 -0.32 1.81 -0.81 -1.51 0.00 0.00 177.10 176.28 1tle n PRO 47 N 4.57 0.18 -1.61 -0.60 -0.04 -1.26 -3.39 135.00 132.85 1tle n PRO 47 Ca -0.10 0.17 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 1tle n PRO 47 Cb 0.43 -1.72 0.06 0.00 -0.04 0.00 0.00 33.50 32.23 1tle n PRO 47 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1tle n LEU 48 N -2.04 6.16 -4.87 1.53 -0.00 -1.26 -4.84 117.00 111.69 1tle n LEU 48 Ca 0.06 -4.45 -0.32 0.00 -0.00 0.00 0.00 56.01 51.30 1tle n LEU 48 Cb 0.39 -0.66 -0.05 0.00 -0.00 0.00 0.00 43.42 43.10 1tle n LEU 48 CO 0.29 1.74 -0.19 0.00 -0.00 0.00 0.00 177.39 179.23 1tle s ALA 49 N -3.67 3.85 -0.05 1.47 0.00 -1.23 -4.99 121.76 117.13 1tle s ALA 49 Ca 0.57 -0.87 0.22 0.00 0.00 0.00 0.00 51.96 51.88 1tle s ALA 49 Cb 0.46 -1.72 0.60 0.00 0.00 0.00 0.00 23.12 22.45 1tle s ALA 49 CO 0.02 0.78 1.69 -1.00 0.00 0.00 0.00 175.76 177.24 1tle h PRO 50 N 3.40 0.00 -5.48 0.00 0.13 -1.93 -3.44 132.00 124.68 1tle h PRO 50 Ca -0.47 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.03 1tle h PRO 50 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1tle h PRO 50 CO 0.71 0.26 -0.48 -0.80 -0.23 0.00 0.00 178.00 177.45 1tle s ASN 51 N -6.24 6.32 0.49 1.44 0.01 -1.26 -4.97 114.94 110.73 1tle s ASN 51 Ca 0.03 0.37 0.29 0.00 -0.71 0.00 0.00 52.86 52.83 1tle s ASN 51 Cb 0.08 -2.08 0.88 0.00 0.41 0.00 0.00 41.25 40.54 1tle s ASN 51 CO 0.67 0.31 1.80 1.55 -1.51 0.00 0.00 177.10 179.92 1tle h PRO 52 N 5.72 0.00 0.00 -0.60 0.13 -1.98 -3.01 132.00 132.27 1tle h PRO 52 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 1tle h PRO 52 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1tle h PRO 52 CO 0.66 0.00 -0.55 0.00 -0.23 0.00 0.00 178.00 177.88 1tle h ALA 53 N 2.01 0.82 -0.88 -0.56 0.00 -1.97 -3.13 119.26 115.55 1tle h ALA 53 Ca 0.00 -0.50 -0.59 0.00 0.00 0.00 0.00 54.91 53.82 1tle h ALA 53 Cb 0.74 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.13 1tle h ALA 53 CO 0.00 0.68 0.34 -0.25 0.00 0.00 0.00 179.25 180.02 1tle n ASP 54 N -3.49 6.16 -0.77 0.00 9.92 -1.14 -4.96 116.55 122.28 1tle n ASP 54 Ca 0.00 -3.76 0.00 0.00 -0.53 0.00 0.00 54.79 50.50 1tle n ASP 54 Cb 0.65 -0.77 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 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 -0.91 3.50 -3.45 -1.24 4.81 -1.18 -3.86 118.16 115.83 1tle n LYS 55 Ca 0.55 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.56 1tle n LYS 55 Cb 0.87 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.83 1tle n LYS 55 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1tle s LYS 57 N 1.60 1.88 0.00 0.00 -0.14 0.18 -4.61 119.74 118.65 1tle s LYS 57 Ca 0.04 -2.10 0.30 0.00 -1.36 0.00 0.00 55.97 52.85 1tle s LYS 57 Cb -0.23 -1.12 1.53 0.00 -1.68 0.00 0.00 37.83 36.33 1tle s LYS 57 CO 0.06 -0.25 2.01 0.00 -0.76 0.00 0.00 175.35 176.42