#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 4.04 -0.04 3.84 -1.16 -1.26 -1.84 121.20 124.78 1k8b s ILE 40 Ca 0.00 -0.32 0.02 0.00 -0.51 0.00 0.00 60.65 59.84 1k8b s ILE 40 Cb 0.00 -2.74 0.01 0.00 0.61 0.00 0.00 42.46 40.33 1k8b s ILE 40 CO 0.00 0.53 -0.09 -0.76 -2.81 0.00 0.00 174.94 171.81 1k8b s LEU 41 N -0.05 1.68 -0.12 8.50 1.02 -0.96 -5.01 118.68 123.74 1k8b s LEU 41 Ca 0.02 -0.19 0.01 0.00 0.02 0.00 0.00 54.13 53.99 1k8b s LEU 41 Cb -0.13 -0.58 -0.01 0.00 0.02 0.00 0.00 46.19 45.49 1k8b s LEU 41 CO 0.02 0.04 -0.16 0.27 0.02 0.00 0.00 176.35 176.54 1k8b s ILE 42 N 0.41 2.83 -0.02 -0.59 -5.25 -1.26 -2.07 121.20 115.24 1k8b s ILE 42 Ca -0.07 -0.75 0.02 0.00 -0.99 0.00 0.00 60.65 58.86 1k8b s ILE 42 Cb -0.11 -2.16 0.00 0.00 2.95 0.00 0.00 42.46 43.15 1k8b s ILE 42 CO 0.01 0.54 -0.06 -1.61 -1.79 0.00 0.00 174.94 172.03 1k8b s GLU 43 N 0.25 0.60 1.47 0.37 2.02 -1.00 -5.01 118.70 117.40 1k8b s GLU 43 Ca -0.11 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1k8b s GLU 43 Cb -0.16 -0.59 0.00 0.00 0.10 0.00 0.00 34.13 33.48 1k8b s GLU 43 CO 0.06 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1k8b n GLY 44 N 3.25 0.32 0.00 -1.39 0.00 -1.26 -1.60 105.19 104.52 1k8b n GLY 44 Ca -0.17 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 3.02 0.00 -4.55 1.61 6.94 -1.26 -5.08 115.26 115.94 1k8b n ASN 45 Ca 0.00 -0.29 -0.34 0.00 -0.02 0.00 0.00 54.58 53.93 1k8b n ASN 45 Cb 0.00 0.01 -0.12 0.00 -2.36 0.00 0.00 39.78 37.31 1k8b n ASN 45 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1k8b s ARG 46 N -0.01 2.88 -0.03 -3.83 3.03 -0.63 -3.62 118.95 116.74 1k8b s ARG 46 Ca 0.00 -0.57 0.06 0.00 2.03 0.00 0.00 55.73 57.25 1k8b s ARG 46 Cb 0.00 -2.61 -0.01 0.00 -1.03 0.00 0.00 34.95 31.30 1k8b s ARG 46 CO 0.00 0.58 -0.22 0.99 -1.13 0.00 0.00 175.30 175.52 1k8b s THR 47 N -0.58 1.75 -0.07 4.99 2.01 -0.94 -2.37 115.64 120.43 1k8b s THR 47 Ca 0.09 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1k8b s THR 47 Cb -0.12 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1k8b s THR 47 CO 0.02 0.50 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.67 1k8b s ILE 48 N -0.31 3.01 -0.06 1.82 1.09 -0.88 -1.82 121.20 124.06 1k8b s ILE 48 Ca 0.03 -0.72 0.03 0.00 -1.10 0.00 0.00 60.65 58.89 1k8b s ILE 48 Cb -0.10 -2.20 0.01 0.00 -1.06 0.00 0.00 42.46 39.10 1k8b s ILE 48 CO 0.01 0.57 -0.15 -0.51 -0.10 0.00 0.00 174.94 174.77 1k8b s ILE 49 N -0.42 1.27 -1.12 2.92 2.07 -0.53 -2.25 121.20 123.14 1k8b s ILE 49 Ca 0.05 -0.59 -0.17 0.00 -1.41 0.00 0.00 60.65 58.52 1k8b s ILE 49 Cb -0.12 -1.13 -0.06 0.00 0.13 0.00 0.00 42.46 41.28 1k8b s ILE 49 CO 0.02 0.38 2.10 0.54 -1.91 0.00 0.00 174.94 176.07 1k8b n ARG 50 N 3.49 2.20 -1.11 3.50 1.74 -0.76 -1.90 116.66 123.82 1k8b n ARG 50 Ca -0.20 -2.19 -0.22 0.00 -0.77 0.00 0.00 57.85 54.47 1k8b n ARG 50 Cb 0.53 -3.07 0.16 0.00 -1.02 0.00 0.00 32.46 29.05 1k8b n ARG 50 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1k8b n ASN 51 N 6.63 3.74 -0.31 0.55 5.15 -1.26 -4.71 115.26 125.04 1k8b n ASN 51 Ca 0.51 -3.45 0.15 0.00 -0.60 0.00 0.00 54.58 51.19 1k8b n ASN 51 Cb 0.38 -0.81 0.31 0.00 -0.53 0.00 0.00 39.78 39.14 1k8b n ASN 51 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1k8b h PHE 52 N 0.92 0.31 0.00 1.20 3.04 -1.80 -1.37 116.94 119.23 1k8b h PHE 52 Ca 0.58 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.58 1k8b h PHE 52 Cb 2.66 0.01 0.00 0.00 2.56 0.00 0.00 35.95 41.18 1k8b h PHE 52 CO 1.44 -0.28 0.00 -2.13 -2.02 0.00 0.00 178.31 175.32 1k8b n ARG 53 N -5.28 0.00 -0.23 1.11 3.00 -1.26 0.85 116.66 114.85 1k8b n ARG 53 Ca 0.23 0.82 0.03 0.00 -0.00 0.00 0.00 57.85 58.93 1k8b n ARG 53 Cb 0.74 -1.42 0.14 0.00 0.00 0.00 0.00 32.46 31.92 1k8b n ARG 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1k8b h GLU 54 N 0.00 0.19 -0.61 -0.14 5.08 -1.91 -0.27 114.58 116.92 1k8b h GLU 54 Ca 0.00 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 1k8b h GLU 54 Cb 0.00 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.10 1k8b h GLU 54 CO 0.00 0.13 -0.07 1.25 -1.00 0.00 0.00 179.01 179.31 1k8b h LEU 55 N 0.20 -0.42 -0.31 1.33 5.85 0.10 0.24 115.31 122.29 1k8b h LEU 55 Ca 0.37 0.17 0.07 0.00 0.84 0.00 0.00 57.88 59.33 1k8b h LEU 55 Cb 0.61 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 1k8b h LEU 55 CO -0.52 -0.16 -0.22 0.00 -0.34 0.00 0.00 178.44 177.20 1k8b h ALA 56 N 1.58 -0.03 -0.15 1.25 0.00 0.23 0.78 119.26 122.92 1k8b h ALA 56 Ca 0.31 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1k8b h ALA 56 Cb 0.49 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1k8b h ALA 56 CO -0.57 -0.62 0.01 -0.22 0.00 0.00 0.00 179.25 177.84 1k8b h LYS 57 N -0.19 0.06 -0.44 0.00 3.64 -1.10 -2.55 116.57 115.98 1k8b h LYS 57 Ca 0.16 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.63 1k8b h LYS 57 Cb 0.44 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.17 1k8b h LYS 57 CO -0.43 0.04 -0.09 0.00 -2.27 0.00 0.00 179.45 176.70 1k8b h ALA 58 N 1.12 0.32 -0.43 5.00 0.00 0.12 -2.30 119.26 123.10 1k8b h ALA 58 Ca 0.07 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.23 1k8b h ALA 58 Cb 0.08 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1k8b h ALA 58 CO -0.11 -0.44 -0.19 -0.39 0.00 0.00 0.00 179.25 178.12 1k8b h VAL 59 N 0.02 0.42 -1.09 0.00 -1.51 0.92 1.19 116.25 116.20 1k8b h VAL 59 Ca 0.22 0.00 0.30 0.00 -1.23 0.00 0.00 66.70 65.98 1k8b h VAL 59 Cb 0.33 0.42 -0.07 0.00 -2.13 0.00 0.00 31.29 29.84 1k8b h VAL 59 CO -0.44 0.00 0.74 -1.13 -1.23 0.00 0.00 177.57 175.51 1k8b h ASN 60 N -0.10 0.24 -0.34 4.19 -0.00 -1.27 0.77 115.58 119.08 1k8b h ASN 60 Ca 0.21 0.05 -0.16 0.00 -0.00 0.00 0.00 56.30 56.40 1k8b h ASN 60 Cb 0.42 0.01 -0.09 0.00 -0.00 0.00 0.00 38.32 38.66 1k8b h ASN 60 CO -0.49 0.04 -0.06 0.54 -0.00 0.00 0.00 177.43 177.46 1k8b n ARG 61 N -4.44 1.98 -1.01 6.67 1.74 0.30 -4.95 116.66 116.95 1k8b n ARG 61 Ca 0.25 -3.13 0.00 0.00 -0.77 0.00 0.00 57.85 54.20 1k8b n ARG 61 Cb 1.03 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 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 -1.05 -1.35 -0.23 0.55 8.00 0.33 -4.86 116.55 117.95 1k8b n ASP 62 Ca 0.32 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.82 1k8b n ASP 62 Cb 1.02 -0.67 0.12 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.56 -0.54 -1.24 4.11 -0.90 0.86 114.58 117.43 1k8b h GLU 63 Ca 0.00 -0.03 0.11 0.00 0.07 0.00 0.00 59.36 59.50 1k8b h GLU 63 Cb 0.17 -0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.19 1k8b h GLU 63 CO 0.00 0.37 -0.13 1.49 0.07 0.00 0.00 179.01 180.81 1k8b h GLU 64 N 0.58 0.00 -0.47 1.06 4.22 -1.89 0.12 114.58 118.21 1k8b h GLU 64 Ca 0.32 -0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.84 1k8b h GLU 64 Cb 0.31 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1k8b h GLU 64 CO -0.24 0.00 0.04 0.35 -2.18 0.00 0.00 179.01 176.98 1k8b h PHE 65 N 0.00 0.04 0.22 0.92 3.04 -1.19 -3.01 116.94 116.97 1k8b h PHE 65 Ca 0.26 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.24 1k8b h PHE 65 Cb 0.40 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.95 1k8b h PHE 65 CO -0.45 -0.06 -0.24 0.35 -2.02 0.00 0.00 178.31 175.89 1k8b h PHE 66 N 0.16 -0.66 -0.98 0.41 3.57 0.09 -2.36 116.94 117.16 1k8b h PHE 66 Ca 0.23 0.01 0.28 0.00 3.53 0.00 0.00 57.97 62.02 1k8b h PHE 66 Cb 0.33 0.26 -0.18 0.00 2.79 0.00 0.00 35.95 39.15 1k8b h PHE 66 CO -0.27 -0.31 0.07 0.00 -2.23 0.00 0.00 178.31 175.57 1k8b h ALA 67 N -1.34 1.24 -0.83 2.41 0.00 -1.45 3.38 119.26 122.67 1k8b h ALA 67 Ca -0.03 0.33 0.19 0.00 0.00 0.00 0.00 54.91 55.40 1k8b h ALA 67 Cb 0.40 0.57 -0.15 0.00 0.00 0.00 0.00 17.79 18.61 1k8b h ALA 67 CO -0.04 -0.59 -0.10 -0.22 0.00 0.00 0.00 179.25 178.30 1k8b h LYS 68 N 0.02 0.03 -0.55 0.00 3.64 -1.30 0.14 116.57 118.55 1k8b h LYS 68 Ca 0.61 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 60.08 1k8b h LYS 68 Cb 1.29 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 33.00 1k8b h LYS 68 CO -0.90 0.02 -0.38 1.88 -2.27 0.00 0.00 179.45 177.80 1k8b h TYR 69 N 0.04 -1.10 -0.82 1.91 0.05 0.67 0.47 116.97 118.18 1k8b h TYR 69 Ca 0.44 0.07 0.19 0.00 0.05 0.00 0.00 58.73 59.48 1k8b h TYR 69 Cb 0.75 0.56 -0.15 0.00 1.01 0.00 0.00 36.73 38.90 1k8b h TYR 69 CO -0.55 -0.41 -0.01 1.25 -1.05 0.00 0.00 178.16 177.39 1k8b h LEU 70 N -0.21 -0.42 -0.20 3.88 6.46 -0.50 1.38 115.31 125.70 1k8b h LEU 70 Ca 0.20 0.22 0.01 0.00 -0.12 0.00 0.00 57.88 58.19 1k8b h LEU 70 Cb 0.56 0.39 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 1k8b h LEU 70 CO -0.66 -0.22 0.08 0.17 -0.62 0.00 0.00 178.44 177.19 1k8b h LEU 71 N 0.08 0.12 -0.66 2.25 8.10 0.04 -1.87 115.31 123.36 1k8b h LEU 71 Ca 0.45 0.01 0.14 0.00 0.11 0.00 0.00 57.88 58.60 1k8b h LEU 71 Cb 0.82 -0.01 -0.11 0.00 -0.44 0.00 0.00 40.66 40.92 1k8b h LEU 71 CO -0.74 0.10 -0.00 0.50 -4.11 0.00 0.00 178.44 174.18 1k8b h LYS 72 N 0.19 0.11 0.03 0.17 3.64 0.57 0.97 116.57 122.25 1k8b h LYS 72 Ca 0.08 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1k8b h LYS 72 Cb 0.03 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1k8b h LYS 72 CO -0.07 0.07 -0.44 1.49 -2.27 0.00 0.00 179.45 178.23 1k8b h GLU 73 N 0.11 -0.60 0.41 1.90 4.81 0.65 -3.22 114.58 118.64 1k8b h GLU 73 Ca 0.35 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1k8b h GLU 73 Cb 0.58 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1k8b h GLU 73 CO -0.57 -0.40 -0.19 0.00 -0.73 0.00 0.00 179.01 177.12 1k8b h THR 74 N -0.62 0.22 0.00 0.32 1.03 -0.90 -3.49 112.91 109.47 1k8b h THR 74 Ca 0.03 -0.64 0.00 0.00 -0.01 0.00 0.00 66.41 65.79 1k8b h THR 74 Cb 0.68 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 68.11 1k8b h THR 74 CO -0.31 0.05 0.00 0.61 -0.01 0.00 0.00 175.52 175.86 1k8b n GLY 75 N 0.19 1.75 0.00 2.99 0.00 0.33 -5.10 105.19 105.35 1k8b n GLY 75 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.74 1.61 7.64 -1.23 -5.05 113.62 112.84 1k8b n SER 76 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1k8b n SER 76 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 -2.14 -0.95 0.02 -0.43 0.00 -1.05 -5.00 121.76 112.21 1k8b s ALA 77 Ca 0.00 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.08 1k8b s ALA 77 Cb 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 1k8b s ALA 77 CO 0.00 -0.18 -0.14 0.20 0.00 0.00 0.00 175.76 175.64 1k8b s GLY 78 N 0.17 0.73 -0.02 0.00 0.00 -1.26 -1.41 107.32 105.53 1k8b s GLY 78 Ca -0.00 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.02 1k8b s GLY 78 CO 0.01 -0.68 -0.12 -1.31 0.00 0.00 0.00 173.10 171.00 1k8b s ASN 79 N -0.85 1.42 -0.05 1.64 -0.87 -1.01 -4.62 114.94 110.60 1k8b s ASN 79 Ca 0.03 -0.22 0.05 0.00 -1.57 0.00 0.00 52.86 51.15 1k8b s ASN 79 Cb -0.07 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.25 40.90 1k8b s ASN 79 CO 0.01 0.13 -0.19 -0.22 -2.57 0.00 0.00 177.10 174.25 1k8b s LEU 80 N -0.12 2.43 -0.04 0.60 2.96 -1.26 -1.88 118.68 121.37 1k8b s LEU 80 Ca 0.02 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 1k8b s LEU 80 Cb -0.06 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 1k8b s LEU 80 CO 0.00 0.31 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.51 1k8b s GLU 81 N -0.51 2.38 -0.12 1.98 2.02 -0.97 -4.94 118.70 118.54 1k8b s GLU 81 Ca 0.07 -0.84 -0.11 0.00 0.02 0.00 0.00 54.97 54.11 1k8b s GLU 81 Cb -0.11 -2.20 -0.12 0.00 0.10 0.00 0.00 34.13 31.79 1k8b s GLU 81 CO 0.01 0.53 1.04 0.41 0.02 0.00 0.00 175.26 177.28 1k8b n GLY 82 N 2.54 0.08 0.00 -1.39 0.00 -1.26 -1.48 105.19 103.68 1k8b n GLY 82 Ca -0.17 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 4.35 0.42 2.98 -0.02 0.00 -1.26 -5.13 105.19 106.53 1k8b n GLY 83 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 0.27 -0.13 1.61 1.70 -0.55 -3.06 118.95 118.79 1k8b s ARG 84 Ca 0.00 -0.40 -0.05 0.00 -0.47 0.00 0.00 55.73 54.81 1k8b s ARG 84 Cb 0.00 0.10 -0.04 0.00 -0.57 0.00 0.00 34.95 34.44 1k8b s ARG 84 CO 0.00 -0.05 0.04 -0.48 -1.08 0.00 0.00 175.30 173.74 1k8b s LEU 85 N -1.06 3.79 -0.03 -1.89 0.05 -0.80 -2.29 118.68 116.45 1k8b s LEU 85 Ca -0.12 0.17 0.05 0.00 0.05 0.00 0.00 54.13 54.28 1k8b s LEU 85 Cb -0.07 -1.91 -0.01 0.00 -2.05 0.00 0.00 46.19 42.15 1k8b s LEU 85 CO -0.00 0.30 -0.18 -0.63 -0.55 0.00 0.00 176.35 175.29 1k8b s ILE 86 N -0.42 1.49 -0.04 1.48 1.09 -0.79 -1.46 121.20 122.56 1k8b s ILE 86 Ca 0.09 -0.78 0.06 0.00 -1.10 0.00 0.00 60.65 58.92 1k8b s ILE 86 Cb -0.12 -1.26 -0.01 0.00 -1.06 0.00 0.00 42.46 40.01 1k8b s ILE 86 CO 0.02 0.42 -0.22 -0.22 -0.10 0.00 0.00 174.94 174.84 1k8b s LEU 87 N -0.20 2.02 -0.32 2.97 0.20 -0.76 -2.41 118.68 120.17 1k8b s LEU 87 Ca 0.01 -0.44 0.01 0.00 0.69 0.00 0.00 54.13 54.41 1k8b s LEU 87 Cb -0.10 -1.20 0.08 0.00 -0.43 0.00 0.00 46.19 44.54 1k8b s LEU 87 CO 0.01 0.22 0.02 -1.10 -0.29 0.00 0.00 176.35 175.21 1k8b s GLN 88 N -0.18 2.00 0.42 1.98 -0.21 -0.50 -2.23 119.66 120.94 1k8b s GLN 88 Ca -0.01 -1.58 0.07 0.00 0.02 0.00 0.00 55.36 53.86 1k8b s GLN 88 Cb -0.12 -3.18 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 1k8b s GLN 88 CO 0.02 -0.79 0.24 0.50 -2.12 0.00 0.00 175.29 173.14 1k8b s ARG 89 N 1.08 2.30 0.00 2.91 3.00 -1.24 -2.52 118.95 124.47 1k8b s ARG 89 Ca 0.01 -1.80 0.26 0.00 -1.00 0.00 0.00 55.73 53.21 1k8b s ARG 89 Cb -0.20 -2.07 1.57 0.00 0.00 0.00 0.00 34.95 34.25 1k8b s ARG 89 CO -0.05 -0.17 1.93 0.54 0.00 0.00 0.00 175.30 177.54