#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yk5 s LYS 3 N 0.00 2.21 -0.07 0.00 1.02 -1.26 -1.58 119.74 120.06 1yk5 s LYS 3 Ca 0.00 -0.90 0.04 0.00 0.02 0.00 0.00 55.97 55.13 1yk5 s LYS 3 Cb 0.00 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1yk5 s LYS 3 CO 0.00 0.55 -0.18 -1.58 -0.92 0.00 0.00 175.35 173.22 1yk5 s TRP 4 N -0.57 1.91 -0.10 3.18 0.52 -0.05 -1.20 118.94 122.63 1yk5 s TRP 4 Ca 0.09 -0.67 0.04 0.00 0.02 0.00 0.00 56.10 55.57 1yk5 s TRP 4 Cb -0.10 -1.31 -0.00 0.00 -1.15 0.00 0.00 33.47 30.90 1yk5 s TRP 4 CO -0.00 -0.27 -0.22 0.50 0.02 0.00 0.00 176.95 176.97 1yk5 s ARG 5 N 0.31 3.02 -0.08 4.98 3.52 0.22 -0.64 118.95 130.27 1yk5 s ARG 5 Ca -0.11 -0.85 -0.30 0.00 -0.13 0.00 0.00 55.73 54.34 1yk5 s ARG 5 Cb -0.15 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 1yk5 s ARG 5 CO 0.05 0.22 1.46 0.00 -0.81 0.00 0.00 175.30 176.22 1yk5 h LYS 7 N 8.69 0.00 -0.02 0.00 1.57 -1.30 0.19 116.57 125.70 1yk5 h LYS 7 Ca -0.34 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.39 1yk5 h LYS 7 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1yk5 h LYS 7 CO 0.95 0.20 -0.15 0.82 -0.57 0.00 0.00 179.45 180.70 1yk5 h ILE 8 N 0.00 1.52 0.00 1.86 1.08 -1.91 -3.41 117.51 116.65 1yk5 h ILE 8 Ca -0.00 -1.73 0.00 0.00 -0.39 0.00 0.00 64.86 62.74 1yk5 h ILE 8 Cb 0.54 2.59 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 1yk5 h ILE 8 CO 0.03 0.47 0.00 0.00 -0.69 0.00 0.00 178.15 177.96 1yk5 n GLY 10 N 0.21 0.79 3.76 0.00 0.00 0.05 -5.01 105.19 105.00 1yk5 n GLY 10 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1yk5 n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yk5 s TYR 11 N -3.11 2.71 -0.15 1.61 5.04 -1.26 -4.64 117.35 117.55 1yk5 s TYR 11 Ca 0.00 0.95 -0.00 0.00 -2.44 0.00 0.00 57.07 55.58 1yk5 s TYR 11 Cb 0.00 -4.03 -0.01 0.00 0.35 0.00 0.00 41.96 38.27 1yk5 s TYR 11 CO 0.00 -3.28 -0.13 0.42 -1.34 0.00 0.00 175.55 171.22 1yk5 s ILE 12 N -0.45 2.94 -0.23 3.14 1.01 -1.26 -0.31 121.20 126.04 1yk5 s ILE 12 Ca 0.59 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 1yk5 s ILE 12 Cb -0.47 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1yk5 s ILE 12 CO 0.54 0.51 0.19 -0.47 0.00 0.00 0.00 174.94 175.71 1yk5 s TYR 13 N 0.67 3.34 -0.25 3.97 5.04 0.19 -4.94 117.35 125.36 1yk5 s TYR 13 Ca -0.07 0.30 -0.03 0.00 -2.44 0.00 0.00 57.07 54.84 1yk5 s TYR 13 Cb -0.15 -2.30 0.02 0.00 0.35 0.00 0.00 41.96 39.88 1yk5 s TYR 13 CO 0.02 0.08 -0.04 0.34 -1.34 0.00 0.00 175.55 174.62 1yk5 s ASP 14 N 0.96 4.41 0.53 4.32 -1.08 -1.26 -0.87 116.67 123.68 1yk5 s ASP 14 Ca 0.09 -0.79 0.20 0.00 -0.52 0.00 0.00 52.55 51.54 1yk5 s ASP 14 Cb -0.13 -1.70 1.36 0.00 -1.46 0.00 0.00 42.92 40.98 1yk5 s ASP 14 CO 0.04 -0.12 2.10 -0.33 0.52 0.00 0.00 175.17 177.38 1yk5 h GLU 15 N 8.06 0.00 0.00 4.34 5.08 -1.55 -0.61 114.58 129.89 1yk5 h GLU 15 Ca -0.34 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 1yk5 h GLU 15 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1yk5 h GLU 15 CO 0.58 0.00 -0.29 -0.44 -1.00 0.00 0.00 179.01 177.87 1yk5 h ASP 16 N 0.00 0.00 0.27 1.42 3.32 -1.89 0.31 116.42 119.86 1yk5 h ASP 16 Ca 0.08 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1yk5 h ASP 16 Cb 0.35 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1yk5 h ASP 16 CO -0.00 0.29 -1.87 -0.62 -1.72 0.00 0.00 179.24 175.31 1yk5 n GLU 17 N -3.49 0.65 0.00 3.56 -0.58 -0.34 -4.01 120.64 116.43 1yk5 n GLU 17 Ca -0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1yk5 n GLU 17 Cb 0.45 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1yk5 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yk5 n GLY 18 N 1.43 1.04 2.53 0.62 0.00 -0.58 -4.06 105.19 106.16 1yk5 n GLY 18 Ca -0.13 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 1yk5 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yk5 n ASP 19 N -3.00 -1.55 -0.37 1.61 2.03 -0.56 -4.68 116.55 110.02 1yk5 n ASP 19 Ca 0.00 -3.16 0.01 0.00 0.52 0.00 0.00 54.79 52.16 1yk5 n ASP 19 Cb 0.00 0.89 0.15 0.00 -0.72 0.00 0.00 41.12 41.44 1yk5 n ASP 19 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1yk5 h PRO 20 N 3.74 1.21 -0.92 -0.67 0.11 -1.74 -0.97 132.00 132.76 1yk5 h PRO 20 Ca -0.05 -0.07 0.27 0.00 0.11 0.00 0.00 66.00 66.25 1yk5 h PRO 20 Cb 0.99 -0.27 -0.15 0.00 0.11 0.00 0.00 31.00 31.68 1yk5 h PRO 20 CO 0.35 0.80 0.33 -0.44 -0.21 0.00 0.00 178.00 178.83 1yk5 h ASP 21 N 1.25 0.13 -0.57 -2.05 3.32 -1.95 0.55 116.42 117.10 1yk5 h ASP 21 Ca 0.41 0.20 -0.14 0.00 0.02 0.00 0.00 57.03 57.52 1yk5 h ASP 21 Cb 0.05 0.24 -0.08 0.00 0.22 0.00 0.00 39.33 39.76 1yk5 h ASP 21 CO -0.14 -0.17 0.18 0.59 -1.72 0.00 0.00 179.24 177.98 1yk5 n ASN 22 N -5.19 4.34 -0.65 6.45 3.02 -0.54 -4.93 115.26 117.75 1yk5 n ASN 22 Ca 0.25 -2.92 -0.08 0.00 -0.03 0.00 0.00 54.58 51.80 1yk5 n ASN 22 Cb 0.79 -0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 39.23 1yk5 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yk5 n GLY 23 N 0.05 1.01 3.51 7.41 0.00 0.19 -5.01 105.19 112.35 1yk5 n GLY 23 Ca 0.31 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1yk5 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yk5 s ILE 24 N -2.32 5.20 0.40 -0.61 -1.09 -0.48 -4.95 121.20 117.35 1yk5 s ILE 24 Ca 0.00 -0.25 -0.27 0.00 -2.23 0.00 0.00 60.65 57.90 1yk5 s ILE 24 Cb 0.00 -3.87 -0.10 0.00 -1.58 0.00 0.00 42.46 36.91 1yk5 s ILE 24 CO 0.00 -0.19 1.42 -0.24 -1.23 0.00 0.00 174.94 174.70 1yk5 n SER 25 N 5.32 3.38 -4.51 3.58 2.88 -1.26 -1.50 113.62 121.52 1yk5 n SER 25 Ca -0.10 1.18 -0.42 0.00 -1.33 0.00 0.00 58.87 58.20 1yk5 n SER 25 Cb 0.48 -1.58 0.01 0.00 -0.75 0.00 0.00 64.21 62.37 1yk5 n SER 25 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1yk5 n PRO 26 N 0.25 0.81 0.00 -1.46 -0.02 -1.26 -2.24 135.00 131.08 1yk5 n PRO 26 Ca 0.03 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1yk5 n PRO 26 Cb 0.39 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1yk5 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yk5 n GLY 27 N 1.58 2.86 3.67 -1.23 0.00 0.11 -4.86 105.19 107.33 1yk5 n GLY 27 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1yk5 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yk5 s THR 28 N -2.37 3.76 0.52 2.61 2.01 -0.95 -4.89 115.64 116.33 1yk5 s THR 28 Ca 0.00 1.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.81 1yk5 s THR 28 Cb 0.00 -3.65 -0.07 0.00 0.01 0.00 0.00 72.50 68.79 1yk5 s THR 28 CO 0.00 -0.06 1.11 -0.54 -0.69 0.00 0.00 174.62 174.44 1yk5 s LYS 29 N 3.36 3.52 0.32 4.92 -0.14 -1.26 -4.61 119.74 125.85 1yk5 s LYS 29 Ca 0.66 1.57 0.01 0.00 -1.36 0.00 0.00 55.97 56.85 1yk5 s LYS 29 Cb -0.30 -2.07 0.54 0.00 -1.68 0.00 0.00 37.83 34.32 1yk5 s LYS 29 CO 0.25 -0.71 1.93 0.35 -0.76 0.00 0.00 175.35 176.41 1yk5 h PHE 30 N 1.39 0.79 0.00 3.18 3.57 -1.95 0.01 116.94 123.93 1yk5 h PHE 30 Ca -0.50 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 60.98 1yk5 h PHE 30 Cb 1.25 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1yk5 h PHE 30 CO 0.53 0.59 0.00 1.05 -2.23 0.00 0.00 178.31 178.24 1yk5 h GLU 31 N 0.80 0.00 -0.46 1.11 9.09 -2.02 -2.75 114.58 120.34 1yk5 h GLU 31 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.61 1yk5 h GLU 31 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 1yk5 h GLU 31 CO -0.03 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.78 1yk5 n ASP 32 N -2.52 3.30 -4.74 3.06 8.00 -0.03 -4.97 116.55 118.67 1yk5 n ASP 32 Ca 0.02 -1.97 -0.35 0.00 0.71 0.00 0.00 54.79 53.20 1yk5 n ASP 32 Cb 0.27 -0.30 0.07 0.00 -0.02 0.00 0.00 41.12 41.13 1yk5 n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yk5 s LEU 33 N -1.32 3.47 0.58 0.64 1.43 -1.04 -4.90 118.68 117.53 1yk5 s LEU 33 Ca 0.40 2.36 -0.20 0.00 -1.03 0.00 0.00 54.13 55.66 1yk5 s LEU 33 Cb 0.22 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 1yk5 s LEU 33 CO 0.31 -1.95 1.26 -2.65 0.23 0.00 0.00 176.35 173.55 1yk5 n PRO 34 N -2.22 1.38 0.11 1.29 -0.02 -1.26 -4.87 135.00 129.40 1yk5 n PRO 34 Ca 0.13 0.52 0.18 0.00 -2.02 0.00 0.00 63.50 62.31 1yk5 n PRO 34 Cb 0.50 -2.47 0.74 0.00 -0.02 0.00 0.00 33.50 32.25 1yk5 n PRO 34 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1yk5 h ASP 35 N 1.02 0.00 -0.11 2.55 3.32 -1.98 -1.22 116.42 120.00 1yk5 h ASP 35 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1yk5 h ASP 35 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1yk5 h ASP 35 CO 0.55 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.17 1yk5 n ASP 36 N -4.11 1.26 -4.71 6.45 5.75 -1.26 -4.91 116.55 115.02 1yk5 n ASP 36 Ca 0.05 -1.61 -0.42 0.00 -0.01 0.00 0.00 54.79 52.81 1yk5 n ASP 36 Cb 0.46 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 1yk5 n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1yk5 s TRP 37 N -1.86 3.62 0.36 2.11 -0.00 -0.46 -5.03 118.94 117.68 1yk5 s TRP 37 Ca 0.32 1.64 0.03 0.00 -0.00 0.00 0.00 56.10 58.10 1yk5 s TRP 37 Cb 0.17 -3.16 -0.04 0.00 -0.00 0.00 0.00 33.47 30.43 1yk5 s TRP 37 CO 0.26 -0.18 0.09 0.14 -0.00 0.00 0.00 176.95 177.26 1yk5 s VAL 38 N 1.09 0.87 -0.12 5.86 -7.23 -1.26 -4.59 120.40 115.02 1yk5 s VAL 38 Ca 0.53 -2.00 -0.35 0.00 -1.81 0.00 0.00 61.98 58.34 1yk5 s VAL 38 Cb -0.22 -2.57 -0.13 0.00 0.56 0.00 0.00 36.38 34.03 1yk5 s VAL 38 CO 0.27 0.00 1.85 0.00 -0.31 0.00 0.00 175.10 176.91 1yk5 h PRO 40 N 8.74 0.00 0.12 0.00 0.11 -1.96 -0.75 132.00 138.25 1yk5 h PRO 40 Ca -0.48 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.27 1yk5 h PRO 40 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1yk5 h PRO 40 CO 0.95 0.11 -1.93 1.25 -0.21 0.00 0.00 178.00 178.18 1yk5 h LEU 41 N 0.00 0.40 -0.02 2.35 5.85 -2.00 -3.43 115.31 118.46 1yk5 h LEU 41 Ca -0.00 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.87 1yk5 h LEU 41 Cb 0.34 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1yk5 h LEU 41 CO 0.01 1.76 0.00 0.00 -0.34 0.00 0.00 178.44 179.87 1yk5 n GLY 43 N 0.83 0.77 3.75 0.00 0.00 -0.29 -4.99 105.19 105.25 1yk5 n GLY 43 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1yk5 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yk5 s ALA 44 N -2.96 2.71 0.86 4.61 0.00 -1.26 -4.48 121.76 121.24 1yk5 s ALA 44 Ca 0.00 1.23 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 1yk5 s ALA 44 Cb 0.00 -3.53 0.10 0.00 0.00 0.00 0.00 23.12 19.69 1yk5 s ALA 44 CO 0.00 -1.32 1.10 -1.25 0.00 0.00 0.00 175.76 174.29 1yk5 s PRO 45 N -3.03 1.59 0.51 0.00 0.04 -1.26 -1.16 135.00 131.69 1yk5 s PRO 45 Ca 0.74 0.65 0.24 0.00 0.04 0.00 0.00 61.00 62.67 1yk5 s PRO 45 Cb -0.37 -1.86 1.34 0.00 0.04 0.00 0.00 34.50 33.64 1yk5 s PRO 45 CO 0.43 -1.97 1.98 0.87 0.04 0.00 0.00 177.00 178.36 1yk5 h LYS 46 N -1.34 0.07 0.00 4.56 1.57 -1.95 -1.50 116.57 117.98 1yk5 h LYS 46 Ca -0.49 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1yk5 h LYS 46 Cb 1.28 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1yk5 h LYS 46 CO 0.58 0.05 0.00 0.66 -0.57 0.00 0.00 179.45 180.16 1yk5 h SER 47 N 0.07 0.00 -0.19 0.86 4.64 -1.99 -1.90 113.55 115.05 1yk5 h SER 47 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1yk5 h SER 47 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1yk5 h SER 47 CO -0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.32 1yk5 n GLU 48 N -2.58 1.81 -3.64 4.77 -0.58 -0.56 -4.86 120.64 115.01 1yk5 n GLU 48 Ca -0.00 -1.22 -0.33 0.00 -0.42 0.00 0.00 57.16 55.19 1yk5 n GLU 48 Cb 0.17 -1.41 -0.05 0.00 -0.57 0.00 0.00 31.44 29.58 1yk5 n GLU 48 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1yk5 s PHE 49 N -1.76 3.52 0.06 -0.32 0.40 -0.72 -0.79 117.98 118.38 1yk5 s PHE 49 Ca 0.33 0.66 0.06 0.00 -0.60 0.00 0.00 56.93 57.37 1yk5 s PHE 49 Cb 0.18 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 1yk5 s PHE 49 CO 0.27 0.48 -0.16 -1.83 0.70 0.00 0.00 175.22 174.67 1yk5 s GLU 50 N -2.30 0.97 0.08 0.44 -1.05 -0.52 -4.89 118.70 111.43 1yk5 s GLU 50 Ca 0.37 -0.92 -0.31 0.00 -0.15 0.00 0.00 54.97 53.96 1yk5 s GLU 50 Cb -0.13 -1.04 -0.07 0.00 -0.44 0.00 0.00 34.13 32.45 1yk5 s GLU 50 CO 0.21 0.25 1.42 0.50 0.95 0.00 0.00 175.26 178.59 1yk5 s ARG 51 N -1.51 4.30 -0.01 -4.83 3.52 -1.26 -0.61 118.95 118.55 1yk5 s ARG 51 Ca 0.02 2.07 0.08 0.00 -0.13 0.00 0.00 55.73 57.77 1yk5 s ARG 51 Cb -0.09 -3.37 -0.11 0.00 -1.56 0.00 0.00 34.95 29.83 1yk5 s ARG 51 CO 0.02 -0.50 0.26 0.44 -0.81 0.00 0.00 175.30 174.70 1yk5 n ILE 52 N 4.21 0.00 -1.52 4.11 -5.35 -0.34 -4.93 119.36 115.54 1yk5 n ILE 52 Ca 0.12 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1yk5 n ILE 52 Cb 0.42 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 1yk5 n ILE 52 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17