#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8b s ILE 40 N 0.00 3.84 -0.04 -3.67 1.01 -1.26 -1.79 121.20 119.29 1k8b s ILE 40 Ca 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1k8b s ILE 40 Cb 0.00 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1k8b s ILE 40 CO 0.00 0.53 -0.09 -0.76 0.00 0.00 0.00 174.94 174.62 1k8b s LEU 41 N 0.02 1.67 -0.07 2.97 1.43 -0.98 -5.01 118.68 118.71 1k8b s LEU 41 Ca 0.00 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1k8b s LEU 41 Cb -0.13 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.52 1k8b s LEU 41 CO 0.03 0.04 -0.19 -0.51 0.23 0.00 0.00 176.35 175.94 1k8b s ILE 42 N 0.42 1.66 -0.02 -0.59 2.07 -1.26 -1.88 121.20 121.59 1k8b s ILE 42 Ca -0.07 -0.80 0.02 0.00 -1.41 0.00 0.00 60.65 58.39 1k8b s ILE 42 Cb -0.11 -1.45 0.00 0.00 0.13 0.00 0.00 42.46 41.04 1k8b s ILE 42 CO 0.01 0.47 -0.08 -1.61 -1.91 0.00 0.00 174.94 171.82 1k8b s GLU 43 N 0.33 0.81 1.50 3.50 2.02 -0.98 -4.99 118.70 120.89 1k8b s GLU 43 Ca -0.13 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1k8b s GLU 43 Cb -0.16 -0.78 0.00 0.00 0.10 0.00 0.00 34.13 33.30 1k8b s GLU 43 CO 0.06 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.86 1k8b n GLY 44 N 3.19 0.21 0.00 -1.39 0.00 -1.26 -1.89 105.19 104.05 1k8b n GLY 44 Ca -0.17 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1k8b n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k8b n ASN 45 N 2.49 0.00 -4.48 1.61 3.02 -1.26 -5.10 115.26 111.54 1k8b n ASN 45 Ca 0.00 -0.58 -0.33 0.00 -0.03 0.00 0.00 54.58 53.64 1k8b n ASN 45 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 1k8b n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k8b s ARG 46 N 0.00 2.73 -0.03 3.52 3.03 -0.79 -3.58 118.95 123.83 1k8b s ARG 46 Ca 0.00 -0.66 0.05 0.00 2.03 0.00 0.00 55.73 57.15 1k8b s ARG 46 Cb 0.00 -2.47 -0.01 0.00 -1.03 0.00 0.00 34.95 31.44 1k8b s ARG 46 CO 0.00 0.55 -0.19 0.99 -1.13 0.00 0.00 175.30 175.52 1k8b s THR 47 N -0.53 1.57 -0.09 4.99 2.01 -0.94 -2.33 115.64 120.32 1k8b s THR 47 Ca 0.07 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 1k8b s THR 47 Cb -0.12 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1k8b s THR 47 CO 0.02 0.45 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.71 1k8b s ILE 48 N -0.25 3.82 -0.07 1.82 1.09 -0.79 -1.77 121.20 125.06 1k8b s ILE 48 Ca 0.02 -0.42 0.05 0.00 -1.10 0.00 0.00 60.65 59.20 1k8b s ILE 48 Cb -0.10 -2.59 -0.01 0.00 -1.06 0.00 0.00 42.46 38.71 1k8b s ILE 48 CO 0.01 0.58 -0.23 -0.63 -0.10 0.00 0.00 174.94 174.56 1k8b s ILE 49 N -0.56 1.93 -1.44 2.92 1.01 0.09 -2.33 121.20 122.83 1k8b s ILE 49 Ca 0.09 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 1k8b s ILE 49 Cb -0.12 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1k8b s ILE 49 CO 0.02 0.54 2.80 -1.14 0.00 0.00 0.00 174.94 177.16 1k8b n ARG 50 N 3.20 3.90 -0.44 2.79 3.00 -0.74 -1.90 116.66 126.48 1k8b n ARG 50 Ca -0.18 -2.57 -0.05 0.00 -0.00 0.00 0.00 57.85 55.05 1k8b n ARG 50 Cb 0.52 -2.70 0.11 0.00 0.00 0.00 0.00 32.46 30.39 1k8b n ARG 50 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1k8b n ASN 51 N 2.87 3.14 -0.31 6.15 2.85 -1.26 -4.61 115.26 124.09 1k8b n ASN 51 Ca 0.72 -2.54 0.15 0.00 -0.11 0.00 0.00 54.58 52.80 1k8b n ASN 51 Cb 0.27 -0.61 0.32 0.00 1.24 0.00 0.00 39.78 41.00 1k8b n ASN 51 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1k8b h PHE 52 N 0.87 0.30 0.00 1.20 3.57 -1.75 -0.00 116.94 121.12 1k8b h PHE 52 Ca 0.15 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1k8b h PHE 52 Cb 1.49 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1k8b h PHE 52 CO 0.56 -0.29 0.00 -2.13 -2.23 0.00 0.00 178.31 174.22 1k8b n ARG 53 N -5.29 0.00 -0.23 1.11 0.63 -1.26 0.92 116.66 112.54 1k8b n ARG 53 Ca 0.23 0.69 0.04 0.00 -0.92 0.00 0.00 57.85 57.89 1k8b n ARG 53 Cb 0.76 -1.31 0.15 0.00 0.45 0.00 0.00 32.46 32.51 1k8b n ARG 53 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1k8b h GLU 54 N 0.00 0.21 -0.65 -0.14 3.07 -1.90 -0.17 114.58 115.00 1k8b h GLU 54 Ca 0.00 -0.01 0.14 0.00 -0.50 0.00 0.00 59.36 58.99 1k8b h GLU 54 Cb 0.00 -0.05 -0.11 0.00 -0.84 0.00 0.00 28.75 27.75 1k8b h GLU 54 CO 0.00 0.14 -0.04 -0.07 -1.40 0.00 0.00 179.01 177.64 1k8b h LEU 55 N 0.22 -0.38 -0.17 1.33 -0.00 0.28 0.26 115.31 116.85 1k8b h LEU 55 Ca 0.38 0.17 0.05 0.00 -0.00 0.00 0.00 57.88 58.49 1k8b h LEU 55 Cb 0.64 0.32 -0.06 0.00 -0.00 0.00 0.00 40.66 41.56 1k8b h LEU 55 CO -0.51 -0.16 -0.25 0.00 -0.00 0.00 0.00 178.44 177.52 1k8b h ALA 56 N 1.62 -0.21 -0.34 1.53 0.00 0.25 0.81 119.26 122.91 1k8b h ALA 56 Ca 0.34 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.36 1k8b h ALA 56 Cb 0.55 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1k8b h ALA 56 CO -0.59 -0.71 0.00 0.87 0.00 0.00 0.00 179.25 178.82 1k8b h LYS 57 N -0.30 0.10 -0.55 0.00 1.57 -1.09 -1.43 116.57 114.87 1k8b h LYS 57 Ca 0.11 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.00 1k8b h LYS 57 Cb 0.47 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.67 1k8b h LYS 57 CO -0.34 0.06 -0.04 0.00 -0.57 0.00 0.00 179.45 178.56 1k8b h ALA 58 N 1.30 0.48 -0.48 3.86 0.00 0.16 -1.92 119.26 122.66 1k8b h ALA 58 Ca 0.17 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.35 1k8b h ALA 58 Cb 0.23 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 1k8b h ALA 58 CO -0.28 -0.41 -0.16 -0.39 0.00 0.00 0.00 179.25 178.02 1k8b h VAL 59 N 0.08 0.45 -1.06 0.00 -1.51 0.17 1.36 116.25 115.74 1k8b h VAL 59 Ca 0.28 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 66.03 1k8b h VAL 59 Cb 0.43 0.45 -0.08 0.00 -2.13 0.00 0.00 31.29 29.96 1k8b h VAL 59 CO -0.49 0.00 0.71 0.78 -1.23 0.00 0.00 177.57 177.34 1k8b h ASN 60 N -0.05 0.31 -0.44 4.19 4.21 -1.19 0.87 115.58 123.48 1k8b h ASN 60 Ca 0.23 0.06 -0.18 0.00 1.21 0.00 0.00 56.30 57.62 1k8b h ASN 60 Cb 0.40 0.01 -0.11 0.00 -1.12 0.00 0.00 38.32 37.50 1k8b h ASN 60 CO -0.52 0.06 0.06 -1.14 -1.29 0.00 0.00 177.43 174.60 1k8b n ARG 61 N -4.50 2.31 -1.16 0.81 0.63 0.38 -4.95 116.66 110.19 1k8b n ARG 61 Ca 0.25 -3.07 0.00 0.00 -0.92 0.00 0.00 57.85 54.11 1k8b n ARG 61 Cb 0.97 -1.90 0.00 0.00 0.45 0.00 0.00 32.46 31.98 1k8b n ARG 61 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1k8b n ASP 62 N -0.90 -1.54 -0.24 6.15 8.00 0.32 -4.84 116.55 123.50 1k8b n ASP 62 Ca 0.34 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.82 1k8b n ASP 62 Cb 1.11 -0.77 0.10 0.00 -0.02 0.00 0.00 41.12 41.53 1k8b n ASP 62 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1k8b h GLU 63 N 0.00 0.71 -0.19 -1.24 4.11 -0.96 -1.06 114.58 115.94 1k8b h GLU 63 Ca 0.00 -0.04 0.05 0.00 0.07 0.00 0.00 59.36 59.44 1k8b h GLU 63 Cb 0.23 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 1k8b h GLU 63 CO 0.00 0.47 -0.34 0.93 0.07 0.00 0.00 179.01 180.14 1k8b h GLU 64 N 0.73 -0.37 -0.54 1.06 4.39 -1.89 -0.95 114.58 117.01 1k8b h GLU 64 Ca 0.30 0.03 0.11 0.00 0.34 0.00 0.00 59.36 60.13 1k8b h GLU 64 Cb 0.15 0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 28.80 1k8b h GLU 64 CO -0.17 -0.25 -0.00 0.35 -1.16 0.00 0.00 179.01 177.79 1k8b h PHE 65 N -0.38 -0.04 0.12 4.33 3.57 -1.61 -2.97 116.94 119.96 1k8b h PHE 65 Ca 0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1k8b h PHE 65 Cb 0.56 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1k8b h PHE 65 CO -0.45 -0.13 -0.32 0.35 -2.23 0.00 0.00 178.31 175.52 1k8b h PHE 66 N 0.12 -0.93 -0.97 0.41 3.57 0.02 -1.53 116.94 117.62 1k8b h PHE 66 Ca 0.28 0.02 0.27 0.00 3.53 0.00 0.00 57.97 62.07 1k8b h PHE 66 Cb 0.43 0.39 -0.18 0.00 2.79 0.00 0.00 35.95 39.38 1k8b h PHE 66 CO -0.34 -0.38 0.07 0.00 -2.23 0.00 0.00 178.31 175.44 1k8b h ALA 67 N -0.99 1.23 -0.83 2.41 0.00 -1.34 4.43 119.26 124.17 1k8b h ALA 67 Ca -0.01 0.33 0.18 0.00 0.00 0.00 0.00 54.91 55.41 1k8b h ALA 67 Cb 0.48 0.55 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 1k8b h ALA 67 CO -0.15 -0.58 -0.09 -0.22 0.00 0.00 0.00 179.25 178.21 1k8b h LYS 68 N 0.02 0.04 -0.66 0.00 1.63 -1.18 0.19 116.57 116.61 1k8b h LYS 68 Ca 0.61 -0.00 0.11 0.00 -0.85 0.00 0.00 60.65 60.52 1k8b h LYS 68 Cb 1.27 -0.01 -0.12 0.00 -0.60 0.00 0.00 32.23 32.77 1k8b h LYS 68 CO -0.89 0.03 -0.35 1.88 -3.45 0.00 0.00 179.45 176.67 1k8b h TYR 69 N 0.04 -0.96 -0.84 1.91 -1.99 0.92 0.51 116.97 116.56 1k8b h TYR 69 Ca 0.44 0.08 0.20 0.00 2.00 0.00 0.00 58.73 61.44 1k8b h TYR 69 Cb 0.75 0.52 -0.15 0.00 2.00 0.00 0.00 36.73 39.85 1k8b h TYR 69 CO -0.54 -0.39 -0.01 1.25 -0.00 0.00 0.00 178.16 178.48 1k8b h LEU 70 N -0.14 -0.43 -0.10 3.88 7.12 -0.35 1.15 115.31 126.46 1k8b h LEU 70 Ca 0.25 0.23 -0.00 0.00 0.13 0.00 0.00 57.88 58.48 1k8b h LEU 70 Cb 0.56 0.40 -0.00 0.00 -0.53 0.00 0.00 40.66 41.09 1k8b h LEU 70 CO -0.73 -0.23 0.05 0.25 -0.13 0.00 0.00 178.44 177.64 1k8b h LEU 71 N 0.07 0.13 -0.67 2.25 5.85 0.01 -1.60 115.31 121.35 1k8b h LEU 71 Ca 0.47 -0.12 0.15 0.00 0.84 0.00 0.00 57.88 59.21 1k8b h LEU 71 Cb 0.86 -0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.74 1k8b h LEU 71 CO -0.76 0.22 -0.01 0.11 -0.34 0.00 0.00 178.44 177.65 1k8b h LYS 72 N 0.03 0.10 -0.11 1.25 1.57 0.48 1.03 116.57 120.91 1k8b h LYS 72 Ca 0.03 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1k8b h LYS 72 Cb 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1k8b h LYS 72 CO -0.00 0.07 -0.02 0.93 -0.57 0.00 0.00 179.45 179.85 1k8b h GLU 73 N 0.10 0.02 0.00 3.15 5.08 0.80 -3.32 114.58 120.41 1k8b h GLU 73 Ca 0.36 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1k8b h GLU 73 Cb 0.59 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1k8b h GLU 73 CO -0.59 0.01 0.00 2.41 -1.00 0.00 0.00 179.01 179.84 1k8b n THR 74 N -5.14 0.00 0.00 1.13 -1.04 -0.03 -5.02 114.28 104.19 1k8b n THR 74 Ca -0.04 0.90 0.00 0.00 -2.04 0.00 0.00 64.05 62.87 1k8b n THR 74 Cb 0.08 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 1k8b n THR 74 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k8b n GLY 75 N 0.76 3.69 0.00 3.41 0.00 0.34 -5.06 105.19 108.32 1k8b n GLY 75 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1k8b n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k8b n SER 76 N 0.00 0.00 -3.92 1.61 2.88 -1.26 -4.95 113.62 107.98 1k8b n SER 76 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1k8b n SER 76 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1k8b n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k8b s ALA 77 N -2.30 -0.11 0.12 -1.46 0.00 -1.03 -5.06 121.76 111.92 1k8b s ALA 77 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.56 1k8b s ALA 77 Cb 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1k8b s ALA 77 CO 0.00 -0.28 -0.12 0.20 0.00 0.00 0.00 175.76 175.56 1k8b s GLY 78 N -1.88 1.02 -0.02 0.00 0.00 -1.26 -1.55 107.32 103.62 1k8b s GLY 78 Ca -0.08 -1.30 0.03 0.00 0.00 0.00 0.00 44.72 43.37 1k8b s GLY 78 CO -0.03 -1.38 -0.12 0.21 0.00 0.00 0.00 173.10 171.79 1k8b s ASN 79 N -2.59 1.46 -0.03 1.64 3.04 -1.03 -4.92 114.94 112.51 1k8b s ASN 79 Ca 0.09 -0.23 0.05 0.00 0.04 0.00 0.00 52.86 52.82 1k8b s ASN 79 Cb -0.03 -0.28 -0.01 0.00 -1.54 0.00 0.00 41.25 39.39 1k8b s ASN 79 CO 0.02 0.12 -0.18 -1.48 -3.04 0.00 0.00 177.10 172.54 1k8b s LEU 80 N -0.07 1.97 -0.01 3.21 2.34 -1.26 -1.76 118.68 123.09 1k8b s LEU 80 Ca 0.01 -0.36 0.04 0.00 0.06 0.00 0.00 54.13 53.88 1k8b s LEU 80 Cb -0.07 -0.99 -0.01 0.00 -0.56 0.00 0.00 46.19 44.56 1k8b s LEU 80 CO 0.00 0.19 -0.13 -1.61 -1.06 0.00 0.00 176.35 173.74 1k8b s GLU 81 N -0.14 1.11 -0.02 1.48 0.41 -0.93 -5.00 118.70 115.62 1k8b s GLU 81 Ca 0.00 -0.47 -0.26 0.00 -0.41 0.00 0.00 54.97 53.83 1k8b s GLU 81 Cb -0.10 -1.07 -0.32 0.00 -1.78 0.00 0.00 34.13 30.87 1k8b s GLU 81 CO 0.01 0.27 1.43 0.41 -0.49 0.00 0.00 175.26 176.89 1k8b n GLY 82 N 2.82 0.42 0.00 -1.39 0.00 -1.26 -1.93 105.19 103.84 1k8b n GLY 82 Ca -0.15 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1k8b n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k8b n GLY 83 N 4.79 0.50 2.97 -0.02 0.00 -1.26 -5.10 105.19 107.06 1k8b n GLY 83 Ca 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 1k8b n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k8b s ARG 84 N 0.00 0.35 -0.12 1.61 1.70 -0.81 -2.59 118.95 119.09 1k8b s ARG 84 Ca 0.00 -0.34 -0.04 0.00 -0.47 0.00 0.00 55.73 54.88 1k8b s ARG 84 Cb 0.00 -0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.12 1k8b s ARG 84 CO 0.00 0.05 0.02 -0.48 -1.08 0.00 0.00 175.30 173.81 1k8b s LEU 85 N -0.62 3.65 -0.03 -1.89 0.05 -0.80 -2.19 118.68 116.85 1k8b s LEU 85 Ca -0.04 0.12 0.05 0.00 0.05 0.00 0.00 54.13 54.32 1k8b s LEU 85 Cb -0.05 -1.86 -0.01 0.00 -2.05 0.00 0.00 46.19 42.22 1k8b s LEU 85 CO -0.00 0.31 -0.19 -0.63 -0.55 0.00 0.00 176.35 175.29 1k8b s ILE 86 N -0.49 1.53 -0.05 1.48 1.09 -0.72 -0.73 121.20 123.31 1k8b s ILE 86 Ca 0.09 -0.80 0.06 0.00 -1.10 0.00 0.00 60.65 58.90 1k8b s ILE 86 Cb -0.12 -1.29 -0.01 0.00 -1.06 0.00 0.00 42.46 39.98 1k8b s ILE 86 CO 0.02 0.43 -0.25 -0.22 -0.10 0.00 0.00 174.94 174.83 1k8b s LEU 87 N -0.26 2.06 -0.36 2.97 1.98 -0.73 -2.45 118.68 121.89 1k8b s LEU 87 Ca 0.03 -0.49 -0.02 0.00 -2.89 0.00 0.00 54.13 50.75 1k8b s LEU 87 Cb -0.09 -1.34 0.09 0.00 0.66 0.00 0.00 46.19 45.50 1k8b s LEU 87 CO 0.01 0.26 0.12 -1.58 -1.89 0.00 0.00 176.35 173.26 1k8b s GLN 88 N -0.25 2.14 0.69 1.98 0.74 -0.59 -2.21 119.66 122.15 1k8b s GLN 88 Ca -0.01 -1.61 -0.11 0.00 0.05 0.00 0.00 55.36 53.69 1k8b s GLN 88 Cb -0.13 -3.42 0.17 0.00 1.10 0.00 0.00 33.01 30.73 1k8b s GLN 88 CO 0.03 -0.89 0.38 0.54 -0.55 0.00 0.00 175.29 174.79 1k8b n ARG 89 N 4.59 -2.54 0.00 1.67 3.00 -1.23 -2.46 116.66 119.68 1k8b n ARG 89 Ca -0.06 -0.64 0.15 0.00 -0.01 0.00 0.00 57.85 57.30 1k8b n ARG 89 Cb 0.42 -0.93 0.83 0.00 0.00 0.00 0.00 32.46 32.78 1k8b n ARG 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17