#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8a s GLU 5 N 0.00 1.81 -0.14 5.56 2.12 -1.26 -1.07 118.70 125.72 1k8a s GLU 5 Ca 0.00 -1.11 -0.29 0.00 0.36 0.00 0.00 54.97 53.93 1k8a s GLU 5 Cb 0.00 -2.00 -0.03 0.00 0.26 0.00 0.00 34.13 32.36 1k8a s GLU 5 CO 0.00 0.51 1.40 0.00 -0.54 0.00 0.00 175.26 176.64 1k8a n ASP 7 N 6.89 0.00 0.00 0.00 8.00 -0.56 -2.02 116.55 128.86 1k8a n ASP 7 Ca 0.15 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1k8a n ASP 7 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1k8a n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k8a n TYR 8 N -0.91 0.00 0.09 1.24 9.36 -1.26 -4.88 117.16 120.80 1k8a n TYR 8 Ca 0.02 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.18 1k8a n TYR 8 Cb 0.01 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.71 1k8a n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1k8a n GLY 10 N 0.92 0.93 3.78 0.00 0.00 -0.86 0.40 105.19 110.38 1k8a n GLY 10 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1k8a n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k8a s THR 11 N -2.17 3.52 0.20 2.61 -4.23 -1.26 -4.46 115.64 109.85 1k8a s THR 11 Ca 0.00 0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 60.74 1k8a s THR 11 Cb 0.00 -3.09 -0.09 0.00 1.34 0.00 0.00 72.50 70.67 1k8a s THR 11 CO 0.00 -0.61 1.29 -1.81 -0.54 0.00 0.00 174.62 172.94 1k8a s ASP 12 N -3.37 6.93 -0.22 3.99 1.01 -1.26 -1.01 116.67 122.74 1k8a s ASP 12 Ca 0.61 2.37 -0.23 0.00 0.71 0.00 0.00 52.55 56.01 1k8a s ASP 12 Cb -0.17 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.14 1k8a s ASP 12 CO 0.53 -0.50 0.75 -0.63 0.21 0.00 0.00 175.17 175.53 1k8a s ILE 13 N 0.05 4.92 0.04 0.77 1.01 -0.23 -4.85 121.20 122.90 1k8a s ILE 13 Ca 0.56 1.41 -0.30 0.00 0.00 0.00 0.00 60.65 62.32 1k8a s ILE 13 Cb -0.36 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 37.98 1k8a s ILE 13 CO 0.38 0.01 1.93 -0.70 0.00 0.00 0.00 174.94 176.57 1k8a s GLU 14 N 2.38 4.14 0.42 2.79 2.56 -1.26 -4.51 118.70 125.23 1k8a s GLU 14 Ca 0.33 2.58 -0.23 0.00 0.00 0.00 0.00 54.97 57.64 1k8a s GLU 14 Cb -0.16 -4.10 -0.11 0.00 2.00 0.00 0.00 34.13 31.76 1k8a s GLU 14 CO 0.09 -0.94 0.81 -0.35 -0.56 0.00 0.00 175.26 174.32 1k8a n PRO 15 N 7.35 0.97 -3.18 4.30 -0.04 -1.26 -2.50 135.00 140.64 1k8a n PRO 15 Ca 0.19 0.35 -0.16 0.00 -0.04 0.00 0.00 63.50 63.85 1k8a n PRO 15 Cb 0.41 -1.79 0.05 0.00 -0.04 0.00 0.00 33.50 32.12 1k8a n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k8a n GLY 16 N 1.46 -0.05 3.34 0.55 0.00 -1.26 -5.01 105.19 104.22 1k8a n GLY 16 Ca 0.11 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1k8a n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k8a s THR 17 N -3.19 0.05 0.00 2.61 2.01 -1.04 -5.18 115.64 110.90 1k8a s THR 17 Ca 0.37 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1k8a s THR 17 Cb -0.16 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1k8a s THR 17 CO 0.46 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 1k8a n GLY 18 N -0.23 0.38 3.12 4.40 0.00 -1.26 -4.85 105.19 106.75 1k8a n GLY 18 Ca -0.16 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 43.79 1k8a n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k8a s THR 19 N -1.95 1.03 -0.28 2.61 2.01 -0.83 -4.99 115.64 113.24 1k8a s THR 19 Ca 0.00 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 1k8a s THR 19 Cb 0.00 -0.92 0.01 0.00 0.01 0.00 0.00 72.50 71.60 1k8a s THR 19 CO 0.00 0.06 0.05 -0.32 -0.69 0.00 0.00 174.62 173.72 1k8a s MET 20 N -0.90 3.10 -0.11 4.92 1.75 -1.26 -0.52 119.30 126.28 1k8a s MET 20 Ca 0.02 -0.84 -0.17 0.00 -1.25 0.00 0.00 55.69 53.45 1k8a s MET 20 Cb -0.07 -3.27 -0.04 0.00 2.84 0.00 0.00 34.83 34.28 1k8a s MET 20 CO 0.01 -0.40 0.44 0.12 -0.65 0.00 0.00 175.02 174.53 1k8a s PHE 21 N 1.47 3.54 -0.27 4.11 5.36 -0.08 -4.90 117.98 127.20 1k8a s PHE 21 Ca 0.03 0.86 -0.09 0.00 -0.96 0.00 0.00 56.93 56.77 1k8a s PHE 21 Cb -0.17 -2.48 -0.03 0.00 -0.34 0.00 0.00 43.02 40.00 1k8a s PHE 21 CO 0.01 0.25 0.12 0.08 -1.46 0.00 0.00 175.22 174.22 1k8a s VAL 22 N 0.36 4.68 0.70 3.12 1.01 -1.26 -0.28 120.40 128.72 1k8a s VAL 22 Ca 0.24 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 1k8a s VAL 22 Cb -0.15 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1k8a s VAL 22 CO 0.10 0.25 1.07 -1.00 0.00 0.00 0.00 175.10 175.52 1k8a s HIS 23 N 1.66 3.24 0.18 5.22 0.09 -0.12 -4.95 115.29 120.61 1k8a s HIS 23 Ca 0.06 1.23 -0.15 0.00 -0.00 0.00 0.00 55.06 56.20 1k8a s HIS 23 Cb -0.16 -2.94 0.16 0.00 -0.00 0.00 0.00 32.58 29.64 1k8a s HIS 23 CO 0.06 -1.19 1.67 -0.22 -0.00 0.00 0.00 174.74 175.06 1k8a h LYS 24 N -0.68 0.05 0.00 1.40 3.64 -1.99 -0.23 116.57 118.77 1k8a h LYS 24 Ca -0.45 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 1k8a h LYS 24 Cb 1.23 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1k8a h LYS 24 CO 0.61 0.04 -0.10 0.38 -2.27 0.00 0.00 179.45 178.10 1k8a h ASP 25 N 0.06 0.00 0.00 4.20 -0.00 -2.05 -3.45 116.42 115.17 1k8a h ASP 25 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.26 1k8a h ASP 25 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.69 1k8a h ASP 25 CO -0.44 0.10 0.00 0.61 -0.00 0.00 0.00 179.24 179.51 1k8a n GLY 26 N -0.73 1.35 3.58 7.15 0.00 -0.10 -5.12 105.19 111.32 1k8a n GLY 26 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1k8a n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k8a n ALA 27 N -0.07 -0.91 -2.52 4.61 0.00 -1.26 -4.63 120.51 115.74 1k8a n ALA 27 Ca 0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 52.80 1k8a n ALA 27 Cb 0.00 -2.05 -0.16 0.00 0.00 0.00 0.00 19.45 17.24 1k8a n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1k8a s THR 28 N -2.11 1.73 -0.24 0.00 2.01 -1.26 -0.94 115.64 114.83 1k8a s THR 28 Ca 0.68 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 1k8a s THR 28 Cb -0.29 -1.45 0.08 0.00 0.01 0.00 0.00 72.50 70.85 1k8a s THR 28 CO 0.56 0.49 0.08 -0.89 -0.69 0.00 0.00 174.62 174.17 1k8a s THR 29 N -0.39 0.37 -0.05 -0.82 2.01 0.61 -4.98 115.64 112.39 1k8a s THR 29 Ca 0.05 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 61.05 1k8a s THR 29 Cb -0.10 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 1k8a s THR 29 CO 0.00 -0.45 0.83 -1.00 -0.69 0.00 0.00 174.62 173.30 1k8a s HIS 30 N 1.90 3.59 0.05 4.92 3.76 -1.26 -0.91 115.29 127.35 1k8a s HIS 30 Ca 0.04 1.43 0.06 0.00 -0.15 0.00 0.00 55.06 56.45 1k8a s HIS 30 Cb -0.17 -2.95 -0.03 0.00 1.11 0.00 0.00 32.58 30.53 1k8a s HIS 30 CO -0.19 0.01 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.52 1k8a s PHE 31 N 1.03 2.68 -0.50 1.40 0.40 0.32 -1.50 117.98 121.81 1k8a s PHE 31 Ca 0.43 -0.18 0.23 0.00 -0.60 0.00 0.00 56.93 56.82 1k8a s PHE 31 Cb -0.19 -1.49 0.09 0.00 0.51 0.00 0.00 43.02 41.94 1k8a s PHE 31 CO 0.21 0.32 1.07 0.00 0.70 0.00 0.00 175.22 177.53 1k8a s SER 33 N -4.36 -0.31 0.22 0.00 1.04 -1.26 -4.38 113.70 104.65 1k8a s SER 33 Ca 0.03 -0.51 -0.04 0.00 0.48 0.00 0.00 55.95 55.91 1k8a s SER 33 Cb 0.13 0.70 0.21 0.00 0.10 0.00 0.00 66.02 67.16 1k8a s SER 33 CO 0.79 -1.28 1.64 0.77 0.98 0.00 0.00 173.24 176.13 1k8a h SER 34 N 2.00 0.76 -0.59 7.02 4.64 -1.99 -2.68 113.55 122.71 1k8a h SER 34 Ca -0.21 -0.27 0.09 0.00 -0.47 0.00 0.00 61.79 60.93 1k8a h SER 34 Cb 1.26 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 63.07 1k8a h SER 34 CO 0.25 0.96 0.20 0.50 -0.87 0.00 0.00 176.83 177.88 1k8a h LYS 35 N 0.65 0.36 -0.13 4.77 3.64 -1.98 0.19 116.57 124.07 1k8a h LYS 35 Ca 0.09 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1k8a h LYS 35 Cb 0.72 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1k8a h LYS 35 CO 0.06 0.24 -0.23 0.00 -2.27 0.00 0.00 179.45 177.25 1k8a h GLU 37 N -0.01 -0.16 -0.11 0.00 5.08 -1.12 -0.57 114.58 117.70 1k8a h GLU 37 Ca 0.01 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1k8a h GLU 37 Cb 0.81 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1k8a h GLU 37 CO 0.05 -0.11 -0.20 -0.91 -1.00 0.00 0.00 179.01 176.85 1k8a h ASN 38 N -0.17 0.17 0.20 1.42 2.35 -0.60 -1.27 115.58 117.68 1k8a h ASN 38 Ca 0.19 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 1k8a h ASN 38 Cb 0.46 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1k8a h ASN 38 CO -0.48 0.38 -0.62 0.78 -1.65 0.00 0.00 177.43 175.85 1k8a h ASN 39 N 0.17 0.47 -0.13 5.81 4.21 -0.54 -2.95 115.58 122.61 1k8a h ASN 39 Ca 0.03 -0.27 -0.07 0.00 1.21 0.00 0.00 56.30 57.20 1k8a h ASN 39 Cb 0.45 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.52 1k8a h ASN 39 CO 0.03 0.97 -0.19 0.00 -1.29 0.00 0.00 177.43 176.95 1k8a h ALA 40 N 1.03 0.19 0.00 -0.83 0.00 -0.79 -2.77 119.26 116.10 1k8a h ALA 40 Ca -0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1k8a h ALA 40 Cb 1.15 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1k8a h ALA 40 CO 0.11 0.12 -0.00 -0.44 0.00 0.00 0.00 179.25 179.03 1k8a h ASP 41 N -0.05 0.00 0.42 0.00 3.32 -1.23 0.47 116.42 119.35 1k8a h ASP 41 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1k8a h ASP 41 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1k8a h ASP 41 CO 0.04 0.00 -0.07 0.18 -1.72 0.00 0.00 179.24 177.67 1k8a n LEU 42 N -3.10 0.30 0.00 1.55 4.77 -1.12 -4.90 117.00 114.50 1k8a n LEU 42 Ca -0.03 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1k8a n LEU 42 Cb 0.07 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1k8a n LEU 42 CO 0.20 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1k8a n GLY 43 N 1.28 0.73 3.83 -0.72 0.00 0.17 -5.05 105.19 105.42 1k8a n GLY 43 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1k8a n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k8a s ARG 44 N -0.38 4.13 -0.17 1.61 0.52 -1.05 -5.02 118.95 118.59 1k8a s ARG 44 Ca 0.00 1.00 -0.05 0.00 -0.52 0.00 0.00 55.73 56.16 1k8a s ARG 44 Cb 0.00 -2.22 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 1k8a s ARG 44 CO 0.00 -0.04 0.01 -1.21 0.02 0.00 0.00 175.30 174.08 1k8a s GLU 45 N -3.30 3.79 0.58 3.54 2.02 -1.26 -4.41 118.70 119.65 1k8a s GLU 45 Ca 0.60 -0.45 0.32 0.00 0.02 0.00 0.00 54.97 55.47 1k8a s GLU 45 Cb -0.09 -3.05 1.38 0.00 0.10 0.00 0.00 34.13 32.47 1k8a s GLU 45 CO 0.17 0.24 1.69 0.00 0.02 0.00 0.00 175.26 177.38 1k8a h ALA 46 N 6.74 2.80 -0.10 5.21 0.00 -1.94 -0.83 119.26 131.15 1k8a h ALA 46 Ca -0.34 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1k8a h ALA 46 Cb 1.18 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1k8a h ALA 46 CO 0.66 -1.35 -0.32 0.00 0.00 0.00 0.00 179.25 178.24 1k8a h ARG 47 N 0.00 0.19 -0.00 0.00 3.08 -1.93 -2.97 114.38 112.76 1k8a h ARG 47 Ca 0.45 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1k8a h ARG 47 Cb 2.17 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.20 1k8a h ARG 47 CO -0.00 0.50 -0.26 0.09 -1.07 0.00 0.00 179.97 179.23 1k8a n ASN 48 N -4.11 0.41 -4.54 7.04 3.02 -0.32 -4.47 115.26 112.29 1k8a n ASN 48 Ca -0.01 -0.18 -0.39 0.00 -0.03 0.00 0.00 54.58 53.97 1k8a n ASN 48 Cb 0.41 -0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.44 1k8a n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k8a s LEU 49 N -2.84 4.33 0.54 3.41 1.43 -1.12 -4.99 118.68 119.45 1k8a s LEU 49 Ca 0.17 -0.31 0.28 0.00 -1.03 0.00 0.00 54.13 53.24 1k8a s LEU 49 Cb 0.19 -2.12 1.55 0.00 0.03 0.00 0.00 46.19 45.83 1k8a s LEU 49 CO 0.59 -0.18 2.13 -0.33 0.23 0.00 0.00 176.35 178.79 1k8a h GLU 50 N 8.44 0.00 0.00 1.70 5.08 -1.85 -2.74 114.58 125.21 1k8a h GLU 50 Ca -0.33 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1k8a h GLU 50 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1k8a h GLU 50 CO 0.61 0.09 -0.17 0.11 -1.00 0.00 0.00 179.01 178.64 1k8a h TRP 51 N 0.00 0.00 -3.54 4.33 5.08 -1.94 -3.42 115.95 116.47 1k8a h TRP 51 Ca -0.00 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.45 1k8a h TRP 51 Cb 0.23 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.42 1k8a h TRP 51 CO 0.00 0.17 0.59 0.99 -1.28 0.00 0.00 178.44 178.92 1k8a s THR 52 N -3.21 3.32 0.38 0.12 2.01 -1.03 -4.93 115.64 112.30 1k8a s THR 52 Ca 0.05 1.15 0.06 0.00 0.31 0.00 0.00 61.69 63.26 1k8a s THR 52 Cb 0.07 -3.73 0.28 0.00 0.01 0.00 0.00 72.50 69.13 1k8a s THR 52 CO 0.68 0.20 2.01 0.44 -0.69 0.00 0.00 174.62 177.26 1k8a h ASP 53 N 4.88 0.58 0.34 3.53 5.19 -1.70 -0.81 116.42 128.44 1k8a h ASP 53 Ca -0.45 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 1k8a h ASP 53 Cb 1.22 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 1k8a h ASP 53 CO 0.73 0.40 -0.41 0.74 -3.12 0.00 0.00 179.24 177.58 1k8a h THR 54 N 0.68 0.00 -0.96 0.35 2.02 -0.35 -2.18 112.91 112.47 1k8a h THR 54 Ca 0.24 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.61 1k8a h THR 54 Cb 0.11 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.43 1k8a h THR 54 CO -0.07 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.43 1k8a h ALA 55 N -1.02 1.89 0.00 6.16 0.00 -1.55 -3.48 119.26 121.26 1k8a h ALA 55 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k8a h ALA 55 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1k8a h ALA 55 CO -0.09 -0.21 0.00 0.54 0.00 0.00 0.00 179.25 179.49