#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 3.79 -0.04 6.31 2.07 -1.26 -1.48 121.20 130.59 1k8b s ILE 40 Ca 0.00 -0.41 0.02 0.00 -1.41 0.00 0.00 60.65 58.85 1k8b s ILE 40 Cb 0.00 -2.62 0.01 0.00 0.13 0.00 0.00 42.46 39.98 1k8b s ILE 40 CO 0.00 0.53 -0.10 -0.22 -1.91 0.00 0.00 174.94 173.24 1k8b s LEU 41 N -0.00 1.69 -0.09 8.50 2.96 -0.97 -5.02 118.68 125.75 1k8b s LEU 41 Ca 0.00 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1k8b s LEU 41 Cb -0.13 -0.63 -0.00 0.00 0.50 0.00 0.00 46.19 45.93 1k8b s LEU 41 CO 0.03 0.05 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.23 1k8b s ILE 42 N 0.40 2.07 -0.02 6.68 1.01 -1.26 -1.91 121.20 128.17 1k8b s ILE 42 Ca -0.07 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.57 1k8b s ILE 42 Cb -0.11 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1k8b s ILE 42 CO 0.01 0.56 -0.06 -1.61 0.00 0.00 0.00 174.94 173.84 1k8b s GLU 43 N 0.22 0.66 1.75 2.79 0.41 -1.00 -5.01 118.70 118.52 1k8b s GLU 43 Ca -0.15 -0.21 0.00 0.00 -0.41 0.00 0.00 54.97 54.19 1k8b s GLU 43 Cb -0.17 -0.65 0.00 0.00 -1.78 0.00 0.00 34.13 31.53 1k8b s GLU 43 CO 0.08 0.09 0.00 0.41 -0.49 0.00 0.00 175.26 175.34 1k8b n GLY 44 N 3.24 0.34 0.00 -1.39 0.00 -1.26 -1.65 105.19 104.47 1k8b n GLY 44 Ca -0.17 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 3.76 0.02 -4.55 1.61 3.02 -1.26 -5.08 115.26 112.78 1k8b n ASN 45 Ca 0.00 -0.41 -0.34 0.00 -0.03 0.00 0.00 54.58 53.80 1k8b n ASN 45 Cb 0.00 0.04 -0.12 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.04 2.87 -0.04 3.52 1.70 -0.66 -4.02 118.95 122.29 1k8b s ARG 46 Ca 0.00 -0.56 0.07 0.00 -0.47 0.00 0.00 55.73 54.77 1k8b s ARG 46 Cb 0.00 -2.61 -0.02 0.00 -0.57 0.00 0.00 34.95 31.75 1k8b s ARG 46 CO 0.00 0.59 -0.26 0.99 -1.08 0.00 0.00 175.30 175.54 1k8b s THR 47 N -0.60 2.05 -0.09 4.99 2.01 -0.94 -2.37 115.64 120.69 1k8b s THR 47 Ca 0.09 -1.09 -0.00 0.00 0.31 0.00 0.00 61.69 61.00 1k8b s THR 47 Cb -0.12 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1k8b s THR 47 CO 0.02 0.58 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.84 1k8b s ILE 48 N -0.38 3.80 -0.14 1.82 1.09 -0.80 -1.79 121.20 124.80 1k8b s ILE 48 Ca 0.03 -0.43 0.02 0.00 -1.10 0.00 0.00 60.65 59.17 1k8b s ILE 48 Cb -0.12 -2.58 0.00 0.00 -1.06 0.00 0.00 42.46 38.70 1k8b s ILE 48 CO 0.01 0.58 -0.19 -0.63 -0.10 0.00 0.00 174.94 174.61 1k8b s ILE 49 N -0.55 2.36 -0.45 2.92 1.01 -0.41 -2.29 121.20 123.78 1k8b s ILE 49 Ca 0.08 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 1k8b s ILE 49 Cb -0.12 -1.96 -0.09 0.00 0.01 0.00 0.00 42.46 40.31 1k8b s ILE 49 CO 0.02 0.54 3.12 -1.14 0.00 0.00 0.00 174.94 177.48 1k8b n ARG 50 N 3.89 2.56 -0.59 2.79 0.63 -0.55 -1.83 116.66 123.56 1k8b n ARG 50 Ca -0.19 -1.86 -0.11 0.00 -0.92 0.00 0.00 57.85 54.77 1k8b n ARG 50 Cb 0.52 -2.19 0.07 0.00 0.45 0.00 0.00 32.46 31.31 1k8b n ARG 50 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1k8b n ASN 51 N 1.91 3.78 -0.32 6.15 2.85 -1.26 -4.64 115.26 123.73 1k8b n ASN 51 Ca 0.51 -2.75 0.19 0.00 -0.11 0.00 0.00 54.58 52.41 1k8b n ASN 51 Cb 0.65 -0.71 0.38 0.00 1.24 0.00 0.00 39.78 41.34 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 0.59 0.38 0.00 1.20 3.57 -1.76 -1.78 116.94 119.14 1k8b h PHE 52 Ca 0.28 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1k8b h PHE 52 Cb 1.69 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.42 1k8b h PHE 52 CO 0.71 -0.35 0.00 0.54 -2.23 0.00 0.00 178.31 176.99 1k8b n ARG 53 N -5.31 0.00 -0.21 1.11 1.74 -1.26 0.94 116.66 113.66 1k8b n ARG 53 Ca 0.27 0.63 0.02 0.00 -0.77 0.00 0.00 57.85 58.00 1k8b n ARG 53 Cb 0.88 -1.24 0.12 0.00 -1.02 0.00 0.00 32.46 31.20 1k8b n ARG 53 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1k8b h GLU 54 N 0.00 0.16 -0.60 5.56 4.81 -1.93 -0.65 114.58 121.93 1k8b h GLU 54 Ca 0.00 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1k8b h GLU 54 Cb 0.00 -0.04 -0.11 0.00 0.63 0.00 0.00 28.75 29.23 1k8b h GLU 54 CO 0.00 0.11 -0.09 1.25 -0.73 0.00 0.00 179.01 179.55 1k8b h LEU 55 N 0.17 -0.44 -0.24 1.64 7.12 -0.47 0.60 115.31 123.68 1k8b h LEU 55 Ca 0.34 0.17 0.06 0.00 0.13 0.00 0.00 57.88 58.58 1k8b h LEU 55 Cb 0.56 0.33 -0.08 0.00 -0.53 0.00 0.00 40.66 40.94 1k8b h LEU 55 CO -0.51 -0.17 -0.37 0.00 -0.13 0.00 0.00 178.44 177.26 1k8b h ALA 56 N 1.58 -0.40 -0.51 1.25 0.00 0.22 0.81 119.26 122.21 1k8b h ALA 56 Ca 0.30 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.35 1k8b h ALA 56 Cb 0.48 0.73 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1k8b h ALA 56 CO -0.58 -0.83 -0.01 0.87 0.00 0.00 0.00 179.25 178.70 1k8b h LYS 57 N -0.38 0.10 -0.48 0.00 1.57 -1.15 -0.51 116.57 115.73 1k8b h LYS 57 Ca 0.12 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.98 1k8b h LYS 57 Cb 0.58 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.78 1k8b h LYS 57 CO -0.45 0.07 -0.08 0.00 -0.57 0.00 0.00 179.45 178.42 1k8b h ALA 58 N 1.46 0.36 -0.48 3.86 0.00 0.18 -2.22 119.26 122.42 1k8b h ALA 58 Ca 0.26 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.44 1k8b h ALA 58 Cb 0.39 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1k8b h ALA 58 CO -0.43 -0.43 -0.13 -0.24 0.00 0.00 0.00 179.25 178.01 1k8b h VAL 59 N 0.03 0.49 -1.05 0.00 3.04 0.21 1.19 116.25 120.16 1k8b h VAL 59 Ca 0.23 0.00 0.28 0.00 -1.01 0.00 0.00 66.70 66.20 1k8b h VAL 59 Cb 0.36 0.49 -0.08 0.00 -2.01 0.00 0.00 31.29 30.05 1k8b h VAL 59 CO -0.46 0.00 0.70 -1.13 -1.01 0.00 0.00 177.57 175.67 1k8b h ASN 60 N -0.02 0.33 -0.43 3.17 -1.24 -1.21 0.86 115.58 117.05 1k8b h ASN 60 Ca 0.23 0.06 -0.17 0.00 0.71 0.00 0.00 56.30 57.13 1k8b h ASN 60 Cb 0.37 0.01 -0.10 0.00 0.73 0.00 0.00 38.32 39.33 1k8b h ASN 60 CO -0.51 0.07 0.06 0.54 -1.29 0.00 0.00 177.43 176.30 1k8b n ARG 61 N -4.52 2.33 -1.00 6.67 1.74 0.32 -4.95 116.66 117.25 1k8b n ARG 61 Ca 0.25 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.26 1k8b n ARG 61 Cb 0.95 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1k8b n ARG 61 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1k8b n ASP 62 N -0.89 -1.33 -0.27 0.55 8.00 0.33 -4.84 116.55 118.10 1k8b n ASP 62 Ca 0.34 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.85 1k8b n ASP 62 Cb 1.10 -0.67 0.14 0.00 -0.02 0.00 0.00 41.12 41.68 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 0.69 -0.58 -1.24 -0.00 -1.01 0.23 114.58 112.67 1k8b h GLU 63 Ca 0.00 -0.04 0.12 0.00 -0.00 0.00 0.00 59.36 59.44 1k8b h GLU 63 Cb 0.16 -0.16 -0.10 0.00 -0.00 0.00 0.00 28.75 28.65 1k8b h GLU 63 CO 0.00 0.46 -0.08 1.05 -0.00 0.00 0.00 179.01 180.44 1k8b h GLU 64 N 0.71 0.05 -0.54 1.06 4.11 -1.89 0.13 114.58 118.22 1k8b h GLU 64 Ca 0.36 -0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.90 1k8b h GLU 64 Cb 0.33 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 1k8b h GLU 64 CO -0.24 0.03 0.00 0.35 0.07 0.00 0.00 179.01 179.22 1k8b h PHE 65 N 0.05 -0.03 0.51 2.06 3.57 -0.88 -2.96 116.94 119.26 1k8b h PHE 65 Ca 0.29 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 1k8b h PHE 65 Cb 0.46 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1k8b h PHE 65 CO -0.42 -0.13 -0.41 0.35 -2.23 0.00 0.00 178.31 175.48 1k8b h PHE 66 N 0.12 -1.11 -0.96 0.41 3.57 -0.21 -2.49 116.94 116.26 1k8b h PHE 66 Ca 0.27 0.00 0.25 0.00 3.53 0.00 0.00 57.97 62.02 1k8b h PHE 66 Cb 0.42 0.42 -0.18 0.00 2.79 0.00 0.00 35.95 39.40 1k8b h PHE 66 CO -0.33 -0.57 -0.00 0.00 -2.23 0.00 0.00 178.31 175.18 1k8b h ALA 67 N -1.17 1.07 -0.78 2.41 0.00 -1.36 3.25 119.26 122.67 1k8b h ALA 67 Ca -0.07 0.33 0.17 0.00 0.00 0.00 0.00 54.91 55.35 1k8b h ALA 67 Cb 0.74 0.59 -0.14 0.00 0.00 0.00 0.00 17.79 18.98 1k8b h ALA 67 CO 0.01 -0.53 -0.08 0.87 0.00 0.00 0.00 179.25 179.52 1k8b h LYS 68 N 0.02 0.05 -0.22 0.00 1.57 -1.30 -2.22 116.57 114.47 1k8b h LYS 68 Ca 0.56 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.36 1k8b h LYS 68 Cb 1.11 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.37 1k8b h LYS 68 CO -0.90 0.03 -0.26 1.88 -0.57 0.00 0.00 179.45 179.63 1k8b h TYR 69 N 0.05 -0.81 -0.86 -1.35 0.05 0.64 0.47 116.97 115.15 1k8b h TYR 69 Ca 0.41 0.04 0.22 0.00 0.05 0.00 0.00 58.73 59.45 1k8b h TYR 69 Cb 0.70 0.38 -0.15 0.00 1.01 0.00 0.00 36.73 38.68 1k8b h TYR 69 CO -0.51 -0.23 0.06 1.37 -1.05 0.00 0.00 178.16 177.80 1k8b h LEU 70 N -0.17 -0.33 -0.25 3.88 8.10 -1.20 1.43 115.31 126.77 1k8b h LEU 70 Ca 0.04 0.22 0.03 0.00 0.11 0.00 0.00 57.88 58.28 1k8b h LEU 70 Cb 0.27 0.38 -0.03 0.00 -0.44 0.00 0.00 40.66 40.84 1k8b h LEU 70 CO -0.30 -0.23 0.06 0.25 -4.11 0.00 0.00 178.44 174.11 1k8b h LEU 71 N 0.10 0.03 -0.66 0.17 5.85 -0.89 -0.51 115.31 119.39 1k8b h LEU 71 Ca 0.50 0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.40 1k8b h LEU 71 Cb 0.96 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.92 1k8b h LEU 71 CO -0.75 0.05 -0.01 0.50 -0.34 0.00 0.00 178.44 177.89 1k8b h LYS 72 N 0.16 0.10 -0.09 1.25 3.11 0.65 0.92 116.57 122.67 1k8b h LYS 72 Ca 0.12 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.97 1k8b h LYS 72 Cb 0.11 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.30 1k8b h LYS 72 CO -0.15 0.07 -0.02 0.93 -2.81 0.00 0.00 179.45 177.48 1k8b h GLU 73 N 0.11 0.01 0.00 1.90 5.08 0.52 -3.31 114.58 118.89 1k8b h GLU 73 Ca 0.35 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1k8b h GLU 73 Cb 0.58 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1k8b h GLU 73 CO -0.57 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 177.69 1k8b n THR 74 N -5.13 0.00 0.00 1.13 -2.24 -0.07 -5.00 114.28 102.97 1k8b n THR 74 Ca -0.05 1.09 0.00 0.00 -2.27 0.00 0.00 64.05 62.82 1k8b n THR 74 Cb 0.07 -2.08 0.00 0.00 -2.10 0.00 0.00 70.33 66.22 1k8b n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k8b n GLY 75 N 0.24 2.49 0.00 3.38 0.00 0.30 -5.05 105.19 106.55 1k8b n GLY 75 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.57 1.61 2.88 -1.26 -4.96 113.62 108.31 1k8b n SER 76 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1k8b n SER 76 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -2.18 -1.51 0.11 -1.46 0.00 -0.99 -5.07 121.76 110.65 1k8b s ALA 77 Ca 0.00 1.02 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1k8b s ALA 77 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1k8b s ALA 77 CO 0.00 -0.37 -0.13 0.20 0.00 0.00 0.00 175.76 175.46 1k8b s GLY 78 N -1.33 0.99 -0.02 0.00 0.00 -1.26 -1.63 107.32 104.07 1k8b s GLY 78 Ca -0.11 -1.22 0.03 0.00 0.00 0.00 0.00 44.72 43.43 1k8b s GLY 78 CO 0.07 -1.28 -0.12 0.21 0.00 0.00 0.00 173.10 171.99 1k8b s ASN 79 N -2.33 1.51 -0.07 1.64 3.84 -1.02 -4.87 114.94 113.65 1k8b s ASN 79 Ca 0.06 -0.24 0.02 0.00 0.21 0.00 0.00 52.86 52.92 1k8b s ASN 79 Cb -0.05 -0.30 -0.02 0.00 -0.55 0.00 0.00 41.25 40.32 1k8b s ASN 79 CO 0.02 0.12 -0.13 -1.48 -2.79 0.00 0.00 177.10 172.85 1k8b s LEU 80 N -0.05 2.80 -0.02 3.21 0.05 -1.26 -1.77 118.68 121.64 1k8b s LEU 80 Ca 0.00 -0.19 0.04 0.00 0.05 0.00 0.00 54.13 54.03 1k8b s LEU 80 Cb -0.07 -1.59 -0.01 0.00 -2.05 0.00 0.00 46.19 42.47 1k8b s LEU 80 CO 0.00 0.31 -0.15 -0.70 -0.55 0.00 0.00 176.35 175.26 1k8b s GLU 81 N -0.52 1.34 0.00 1.48 2.56 -0.92 -4.99 118.70 117.66 1k8b s GLU 81 Ca 0.07 -0.55 -0.26 0.00 0.00 0.00 0.00 54.97 54.24 1k8b s GLU 81 Cb -0.12 -1.26 -0.32 0.00 2.00 0.00 0.00 34.13 34.44 1k8b s GLU 81 CO 0.02 0.30 1.48 0.41 -0.56 0.00 0.00 175.26 176.91 1k8b n GLY 82 N 2.84 0.70 0.00 -1.50 0.00 -1.26 -2.16 105.19 103.81 1k8b n GLY 82 Ca -0.16 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 4.82 0.61 3.02 -0.02 0.00 -1.26 -5.11 105.19 107.25 1k8b n GLY 83 Ca 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 0.54 -0.13 1.61 3.03 -0.92 -2.71 118.95 120.37 1k8b s ARG 84 Ca 0.00 -0.44 -0.04 0.00 2.03 0.00 0.00 55.73 57.27 1k8b s ARG 84 Cb 0.00 -0.45 -0.03 0.00 -1.03 0.00 0.00 34.95 33.43 1k8b s ARG 84 CO 0.00 0.11 0.02 -0.48 -1.13 0.00 0.00 175.30 173.82 1k8b s LEU 85 N -0.71 3.65 -0.04 -1.89 0.05 -0.76 -2.15 118.68 116.82 1k8b s LEU 85 Ca -0.02 0.10 0.06 0.00 0.05 0.00 0.00 54.13 54.32 1k8b s LEU 85 Cb -0.05 -1.87 -0.02 0.00 -2.05 0.00 0.00 46.19 42.19 1k8b s LEU 85 CO 0.00 0.28 -0.22 -0.63 -0.55 0.00 0.00 176.35 175.23 1k8b s ILE 86 N -0.28 2.41 -0.04 1.48 1.01 -0.73 -1.28 121.20 123.77 1k8b s ILE 86 Ca 0.07 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.81 1k8b s ILE 86 Cb -0.12 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1k8b s ILE 86 CO 0.02 0.58 -0.21 -1.48 0.00 0.00 0.00 174.94 173.85 1k8b s LEU 87 N -0.52 2.00 -0.31 2.97 -0.00 -0.74 -2.42 118.68 119.66 1k8b s LEU 87 Ca 0.07 -0.42 0.03 0.00 -0.00 0.00 0.00 54.13 53.81 1k8b s LEU 87 Cb -0.11 -1.15 0.08 0.00 -0.00 0.00 0.00 46.19 45.01 1k8b s LEU 87 CO 0.01 0.21 -0.01 -1.10 -0.00 0.00 0.00 176.35 175.46 1k8b s GLN 88 N -0.17 1.90 0.62 1.48 -0.21 -0.65 -2.22 119.66 120.41 1k8b s GLN 88 Ca -0.01 -1.61 -0.06 0.00 0.02 0.00 0.00 55.36 53.71 1k8b s GLN 88 Cb -0.12 -3.09 0.02 0.00 1.00 0.00 0.00 33.01 30.83 1k8b s GLN 88 CO 0.02 -0.77 0.92 0.50 -2.12 0.00 0.00 175.29 173.85 1k8b s ARG 89 N 1.02 2.69 0.00 2.91 3.00 -1.26 -2.35 118.95 124.96 1k8b s ARG 89 Ca 0.01 -0.13 0.24 0.00 -1.00 0.00 0.00 55.73 54.85 1k8b s ARG 89 Cb -0.20 -2.26 1.46 0.00 0.00 0.00 0.00 34.95 33.95 1k8b s ARG 89 CO -0.06 -0.85 1.82 0.54 0.00 0.00 0.00 175.30 176.75