#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 3.96 -0.04 -3.67 -5.25 -1.26 -2.20 121.20 112.74 1k8b s ILE 40 Ca 0.00 -0.35 0.03 0.00 -0.99 0.00 0.00 60.65 59.34 1k8b s ILE 40 Cb 0.00 -2.70 0.00 0.00 2.95 0.00 0.00 42.46 42.71 1k8b s ILE 40 CO 0.00 0.53 -0.12 -0.76 -1.79 0.00 0.00 174.94 172.81 1k8b s LEU 41 N -0.11 1.77 -0.14 0.37 1.02 -0.98 -5.00 118.68 115.60 1k8b s LEU 41 Ca 0.03 -0.25 -0.03 0.00 0.02 0.00 0.00 54.13 53.90 1k8b s LEU 41 Cb -0.13 -0.71 -0.03 0.00 0.02 0.00 0.00 46.19 45.34 1k8b s LEU 41 CO 0.02 0.08 -0.06 0.27 0.02 0.00 0.00 176.35 176.68 1k8b s ILE 42 N 0.29 3.74 -0.02 -0.59 -5.25 -1.26 -2.01 121.20 116.10 1k8b s ILE 42 Ca -0.06 -0.42 0.02 0.00 -0.99 0.00 0.00 60.65 59.20 1k8b s ILE 42 Cb -0.11 -2.62 0.00 0.00 2.95 0.00 0.00 42.46 42.69 1k8b s ILE 42 CO 0.02 0.51 -0.06 -1.61 -1.79 0.00 0.00 174.94 172.01 1k8b s GLU 43 N 0.22 0.64 1.65 0.37 2.02 -1.02 -5.01 118.70 117.57 1k8b s GLU 43 Ca -0.03 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.75 1k8b s GLU 43 Cb -0.14 -0.63 0.00 0.00 0.10 0.00 0.00 34.13 33.46 1k8b s GLU 43 CO 0.03 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.80 1k8b n GLY 44 N 3.25 0.28 0.00 -1.39 0.00 -1.26 -1.69 105.19 104.38 1k8b n GLY 44 Ca -0.17 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1k8b n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k8b n ASN 45 N 3.09 0.00 -4.41 1.61 0.23 -1.26 -5.06 115.26 109.45 1k8b n ASN 45 Ca 0.00 -0.46 -0.32 0.00 -0.53 0.00 0.00 54.58 53.26 1k8b n ASN 45 Cb 0.00 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.56 1k8b n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1k8b s ARG 46 N 0.00 2.55 -0.05 -3.83 1.04 -0.68 -4.20 118.95 113.77 1k8b s ARG 46 Ca 0.00 -0.76 0.05 0.00 -1.04 0.00 0.00 55.73 53.98 1k8b s ARG 46 Cb 0.00 -2.33 -0.02 0.00 -2.04 0.00 0.00 34.95 30.56 1k8b s ARG 46 CO 0.00 0.53 -0.20 0.99 -0.04 0.00 0.00 175.30 176.59 1k8b s THR 47 N -0.51 2.56 -0.07 4.99 2.01 -0.95 -2.44 115.64 121.24 1k8b s THR 47 Ca 0.07 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.20 1k8b s THR 47 Cb -0.12 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 1k8b s THR 47 CO 0.01 0.58 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.74 1k8b s ILE 48 N -0.48 3.00 -0.10 1.82 1.01 -0.85 -1.69 121.20 123.91 1k8b s ILE 48 Ca 0.06 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1k8b s ILE 48 Cb -0.12 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1k8b s ILE 48 CO 0.01 0.58 -0.16 -0.51 0.00 0.00 0.00 174.94 174.86 1k8b s ILE 49 N -0.47 1.53 -1.07 2.92 2.07 -0.09 -2.33 121.20 123.77 1k8b s ILE 49 Ca 0.06 -0.68 -0.14 0.00 -1.41 0.00 0.00 60.65 58.48 1k8b s ILE 49 Cb -0.12 -1.38 -0.08 0.00 0.13 0.00 0.00 42.46 41.01 1k8b s ILE 49 CO 0.02 0.45 2.17 0.54 -1.91 0.00 0.00 174.94 176.21 1k8b n ARG 50 N 4.01 2.23 -0.54 3.50 5.12 -0.93 -2.06 116.66 127.98 1k8b n ARG 50 Ca -0.20 -1.94 -0.01 0.00 -1.93 0.00 0.00 57.85 53.78 1k8b n ARG 50 Cb 0.52 -2.85 0.19 0.00 -1.16 0.00 0.00 32.46 29.16 1k8b n ARG 50 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1k8b n ASN 51 N 5.77 3.55 -0.32 0.55 2.85 -1.26 -4.63 115.26 121.77 1k8b n ASN 51 Ca 0.52 -2.61 0.18 0.00 -0.11 0.00 0.00 54.58 52.56 1k8b n ASN 51 Cb 0.30 -0.62 0.36 0.00 1.24 0.00 0.00 39.78 41.06 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 1.75 0.46 0.00 1.20 3.57 -1.76 0.54 116.94 122.71 1k8b h PHE 52 Ca 0.09 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1k8b h PHE 52 Cb 1.50 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1k8b h PHE 52 CO 0.67 -0.27 0.00 0.54 -2.23 0.00 0.00 178.31 177.02 1k8b n ARG 53 N -5.24 0.00 -0.16 1.11 1.74 -1.26 0.82 116.66 113.66 1k8b n ARG 53 Ca 0.26 0.49 -0.02 0.00 -0.77 0.00 0.00 57.85 57.81 1k8b n ARG 53 Cb 0.83 -1.20 0.07 0.00 -1.02 0.00 0.00 32.46 31.14 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 0.15 -0.65 5.56 4.81 -1.91 -1.44 114.58 121.10 1k8b h GLU 54 Ca 0.00 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.36 1k8b h GLU 54 Cb 0.00 -0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.23 1k8b h GLU 54 CO 0.00 0.10 -0.03 1.25 -0.73 0.00 0.00 179.01 179.60 1k8b h LEU 55 N 0.16 -0.35 -0.31 1.64 7.12 -0.64 -0.50 115.31 122.43 1k8b h LEU 55 Ca 0.26 0.17 0.07 0.00 0.13 0.00 0.00 57.88 58.51 1k8b h LEU 55 Cb 0.38 0.31 -0.08 0.00 -0.53 0.00 0.00 40.66 40.74 1k8b h LEU 55 CO -0.40 -0.15 -0.32 0.00 -0.13 0.00 0.00 178.44 177.45 1k8b h ALA 56 N 1.60 -0.23 -0.52 1.25 0.00 0.15 0.76 119.26 122.28 1k8b h ALA 56 Ca 0.34 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.43 1k8b h ALA 56 Cb 0.55 0.66 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1k8b h ALA 56 CO -0.58 -0.74 -0.01 0.87 0.00 0.00 0.00 179.25 178.79 1k8b h LYS 57 N -0.29 0.11 -0.52 0.00 1.57 -1.11 0.12 116.57 116.44 1k8b h LYS 57 Ca 0.15 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.03 1k8b h LYS 57 Cb 0.53 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.73 1k8b h LYS 57 CO -0.47 0.07 -0.04 0.00 -0.57 0.00 0.00 179.45 178.43 1k8b h ALA 58 N 1.47 0.45 -0.52 3.86 0.00 0.14 -2.05 119.26 122.61 1k8b h ALA 58 Ca 0.26 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.45 1k8b h ALA 58 Cb 0.40 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 1k8b h ALA 58 CO -0.44 -0.41 -0.11 -0.39 0.00 0.00 0.00 179.25 177.90 1k8b h VAL 59 N 0.08 0.50 -1.03 0.00 -1.51 0.23 1.33 116.25 115.85 1k8b h VAL 59 Ca 0.26 -0.01 0.27 0.00 -1.23 0.00 0.00 66.70 65.99 1k8b h VAL 59 Cb 0.40 0.47 -0.08 0.00 -2.13 0.00 0.00 31.29 29.96 1k8b h VAL 59 CO -0.47 0.00 0.69 -1.13 -1.23 0.00 0.00 177.57 175.43 1k8b h ASN 60 N 0.02 0.33 -0.47 4.19 -0.73 -1.18 0.97 115.58 118.71 1k8b h ASN 60 Ca 0.25 0.06 -0.12 0.00 1.87 0.00 0.00 56.30 58.36 1k8b h ASN 60 Cb 0.39 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.91 1k8b h ASN 60 CO -0.52 0.07 0.09 -1.14 -0.37 0.00 0.00 177.43 175.56 1k8b n ARG 61 N -4.50 3.02 -0.75 6.67 0.00 0.38 -4.94 116.66 116.54 1k8b n ARG 61 Ca 0.24 -3.02 0.00 0.00 -0.00 0.00 0.00 57.85 55.07 1k8b n ARG 61 Cb 0.92 -1.99 0.00 0.00 0.00 0.00 0.00 32.46 31.39 1k8b n ARG 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1k8b n ASP 62 N -0.50 -1.00 -0.24 6.15 8.00 0.33 -4.88 116.55 124.41 1k8b n ASP 62 Ca 0.32 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.80 1k8b n ASP 62 Cb 1.12 -0.50 0.10 0.00 -0.02 0.00 0.00 41.12 41.82 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 0.70 -0.49 -1.24 4.11 -1.25 -0.75 114.58 115.66 1k8b h GLU 63 Ca 0.00 -0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.49 1k8b h GLU 63 Cb 0.04 -0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.04 1k8b h GLU 63 CO 0.00 0.47 -0.12 1.05 0.07 0.00 0.00 179.01 180.48 1k8b h GLU 64 N 0.73 0.00 -0.43 1.06 4.11 -1.89 -0.41 114.58 117.76 1k8b h GLU 64 Ca 0.31 -0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.81 1k8b h GLU 64 Cb 0.18 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 1k8b h GLU 64 CO -0.18 0.00 0.02 0.74 0.07 0.00 0.00 179.01 179.66 1k8b h PHE 65 N 0.00 0.01 0.42 2.06 -1.00 -1.49 -3.01 116.94 113.92 1k8b h PHE 65 Ca 0.24 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 61.03 1k8b h PHE 65 Cb 0.36 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 1k8b h PHE 65 CO -0.42 -0.07 -0.31 0.35 -1.61 0.00 0.00 178.31 176.25 1k8b h PHE 66 N 0.13 -0.85 -0.97 -0.55 3.57 -0.54 -2.58 116.94 115.15 1k8b h PHE 66 Ca 0.21 -0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.98 1k8b h PHE 66 Cb 0.30 0.31 -0.18 0.00 2.79 0.00 0.00 35.95 39.17 1k8b h PHE 66 CO -0.27 -0.44 0.05 0.00 -2.23 0.00 0.00 178.31 175.42 1k8b h ALA 67 N -1.35 1.18 -0.83 2.41 0.00 -1.46 3.49 119.26 122.70 1k8b h ALA 67 Ca -0.05 0.33 0.19 0.00 0.00 0.00 0.00 54.91 55.37 1k8b h ALA 67 Cb 0.58 0.57 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 1k8b h ALA 67 CO 0.02 -0.57 -0.07 0.87 0.00 0.00 0.00 179.25 179.50 1k8b h LYS 68 N 0.02 0.04 -0.70 0.00 1.79 -1.33 0.28 116.57 116.67 1k8b h LYS 68 Ca 0.59 -0.00 0.12 0.00 -2.18 0.00 0.00 60.65 59.18 1k8b h LYS 68 Cb 1.23 -0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 31.74 1k8b h LYS 68 CO -0.89 0.03 -0.34 1.88 -1.08 0.00 0.00 179.45 179.04 1k8b h TYR 69 N 0.05 -0.95 -0.81 -1.35 -1.99 0.69 0.76 116.97 113.36 1k8b h TYR 69 Ca 0.44 0.08 0.19 0.00 2.00 0.00 0.00 58.73 61.44 1k8b h TYR 69 Cb 0.77 0.52 -0.14 0.00 2.00 0.00 0.00 36.73 39.87 1k8b h TYR 69 CO -0.53 -0.39 -0.02 1.25 -0.00 0.00 0.00 178.16 178.47 1k8b h LEU 70 N -0.12 -0.44 -0.16 3.88 7.12 -0.22 1.21 115.31 126.59 1k8b h LEU 70 Ca 0.27 0.22 0.00 0.00 0.13 0.00 0.00 57.88 58.50 1k8b h LEU 70 Cb 0.56 0.40 -0.01 0.00 -0.53 0.00 0.00 40.66 41.08 1k8b h LEU 70 CO -0.76 -0.22 0.09 0.25 -0.13 0.00 0.00 178.44 177.67 1k8b h LEU 71 N 0.07 0.16 -0.77 2.25 5.85 0.57 -1.58 115.31 121.86 1k8b h LEU 71 Ca 0.44 -0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.34 1k8b h LEU 71 Cb 0.80 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.66 1k8b h LEU 71 CO -0.74 0.12 -0.02 0.50 -0.34 0.00 0.00 178.44 177.95 1k8b h LYS 72 N 0.20 0.08 0.30 1.25 1.63 0.53 0.95 116.57 121.51 1k8b h LYS 72 Ca 0.06 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1k8b h LYS 72 Cb -0.01 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1k8b h LYS 72 CO -0.02 0.05 -0.17 0.93 -3.45 0.00 0.00 179.45 176.79 1k8b h GLU 73 N 0.08 -0.42 0.00 1.90 3.07 0.36 -3.35 114.58 116.23 1k8b h GLU 73 Ca 0.42 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 1k8b h GLU 73 Cb 0.73 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1k8b h GLU 73 CO -0.69 -0.28 0.00 -2.37 -1.40 0.00 0.00 179.01 174.27 1k8b n THR 74 N -3.26 0.00 0.00 1.13 5.66 -0.67 -4.97 114.28 112.16 1k8b n THR 74 Ca -0.05 1.50 0.00 0.00 -3.05 0.00 0.00 64.05 62.44 1k8b n THR 74 Cb 0.17 -2.46 0.00 0.00 -1.55 0.00 0.00 70.33 66.50 1k8b n THR 74 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1k8b n GLY 75 N -1.00 1.31 0.00 1.09 0.00 0.32 -5.08 105.19 101.84 1k8b n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k8b n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k8b n SER 76 N 0.00 0.00 -3.65 1.61 7.64 -1.26 -4.95 113.62 113.00 1k8b n SER 76 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1k8b n SER 76 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1k8b n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k8b s ALA 77 N -2.94 -1.60 0.03 -0.43 0.00 -1.05 -5.01 121.76 110.76 1k8b s ALA 77 Ca 0.00 1.83 0.05 0.00 0.00 0.00 0.00 51.96 53.84 1k8b s ALA 77 Cb 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 1k8b s ALA 77 CO 0.00 -0.31 -0.16 0.20 0.00 0.00 0.00 175.76 175.50 1k8b s GLY 78 N 0.35 0.84 -0.01 0.00 0.00 -1.26 -1.64 107.32 105.59 1k8b s GLY 78 Ca -0.00 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.92 1k8b s GLY 78 CO 0.01 -0.78 -0.12 -1.31 0.00 0.00 0.00 173.10 170.90 1k8b s ASN 79 N -0.98 1.41 -0.10 1.64 -0.87 -0.98 -4.41 114.94 110.64 1k8b s ASN 79 Ca 0.04 -0.22 -0.01 0.00 -1.57 0.00 0.00 52.86 51.09 1k8b s ASN 79 Cb -0.08 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.25 40.90 1k8b s ASN 79 CO 0.01 0.13 -0.04 -0.22 -2.57 0.00 0.00 177.10 174.41 1k8b s LEU 80 N -0.16 3.28 -0.02 0.60 1.98 -1.26 -2.03 118.68 121.07 1k8b s LEU 80 Ca 0.02 -0.03 0.03 0.00 -2.89 0.00 0.00 54.13 51.27 1k8b s LEU 80 Cb -0.06 -1.75 0.00 0.00 0.66 0.00 0.00 46.19 45.04 1k8b s LEU 80 CO -0.00 0.30 -0.10 -0.70 -1.89 0.00 0.00 176.35 173.95 1k8b s GLU 81 N -0.40 1.05 0.00 1.98 2.12 -1.01 -4.89 118.70 117.55 1k8b s GLU 81 Ca 0.06 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.03 1k8b s GLU 81 Cb -0.12 -0.98 0.00 0.00 0.26 0.00 0.00 34.13 33.29 1k8b s GLU 81 CO 0.02 0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 1k8b n GLY 82 N 3.19 -0.17 0.01 -1.50 0.00 -1.26 -1.59 105.19 103.87 1k8b n GLY 82 Ca -0.17 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.74 3.76 -0.02 0.00 -1.26 -5.02 105.19 103.39 1k8b n GLY 83 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1k8b n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k8b s ARG 84 N 0.00 2.96 -0.13 1.61 0.52 -0.62 -2.68 118.95 120.61 1k8b s ARG 84 Ca 0.00 -0.57 -0.05 0.00 -0.52 0.00 0.00 55.73 54.59 1k8b s ARG 84 Cb 0.00 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 1k8b s ARG 84 CO 0.00 0.62 0.05 -0.48 0.02 0.00 0.00 175.30 175.51 1k8b s LEU 85 N -1.87 3.84 -0.03 2.53 0.05 -0.87 -2.39 118.68 119.93 1k8b s LEU 85 Ca 0.24 0.19 0.06 0.00 0.05 0.00 0.00 54.13 54.66 1k8b s LEU 85 Cb -0.12 -1.93 -0.01 0.00 -2.05 0.00 0.00 46.19 42.08 1k8b s LEU 85 CO 0.15 0.31 -0.21 -0.63 -0.55 0.00 0.00 176.35 175.41 1k8b s ILE 86 N -0.43 1.73 -0.04 1.48 1.01 -0.86 -0.92 121.20 123.17 1k8b s ILE 86 Ca 0.09 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 59.89 1k8b s ILE 86 Cb -0.12 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1k8b s ILE 86 CO 0.02 0.49 -0.21 -1.48 0.00 0.00 0.00 174.94 173.75 1k8b s LEU 87 N -0.28 2.00 -0.31 2.97 -0.00 -0.68 -2.32 118.68 120.06 1k8b s LEU 87 Ca 0.02 -0.43 0.03 0.00 -0.00 0.00 0.00 54.13 53.76 1k8b s LEU 87 Cb -0.11 -1.17 0.08 0.00 -0.00 0.00 0.00 46.19 45.00 1k8b s LEU 87 CO 0.01 0.22 -0.01 -1.10 -0.00 0.00 0.00 176.35 175.47 1k8b s GLN 88 N -0.16 1.82 0.00 1.48 -0.21 -0.65 -2.23 119.66 119.70 1k8b s GLN 88 Ca -0.01 -1.66 0.00 0.00 0.02 0.00 0.00 55.36 53.71 1k8b s GLN 88 Cb -0.12 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.79 1k8b s GLN 88 CO 0.02 -0.80 0.00 -2.13 -2.12 0.00 0.00 175.29 170.27 1k8b n ARG 89 N 4.34 0.00 0.00 2.91 0.63 -1.26 -2.52 116.66 120.76 1k8b n ARG 89 Ca -0.04 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1k8b n ARG 89 Cb 0.42 -0.29 0.00 0.00 0.45 0.00 0.00 32.46 33.04 1k8b n ARG 89 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99