#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk6 s LYS 3 N -0.39 -0.11 0.79 0.00 1.02 -1.26 -5.02 119.74 114.76 1qk6 s LYS 3 Ca 0.00 -0.10 -0.11 0.00 0.02 0.00 0.00 55.97 55.78 1qk6 s LYS 3 Cb 0.00 -1.73 0.06 0.00 -0.52 0.00 0.00 37.83 35.64 1qk6 s LYS 3 CO 0.00 -2.97 1.09 0.20 -0.92 0.00 0.00 175.35 172.76 1qk6 s GLY 4 N -4.24 1.63 0.82 -3.33 0.00 -1.26 -4.89 107.32 96.05 1qk6 s GLY 4 Ca 0.70 -0.18 -0.11 0.00 0.00 0.00 0.00 44.72 45.14 1qk6 s GLY 4 CO 0.55 0.24 1.09 0.14 0.00 0.00 0.00 173.10 175.11 1qk6 s VAL 5 N -3.15 3.07 -1.40 1.40 1.01 -1.26 -3.41 120.40 116.66 1qk6 s VAL 5 Ca 0.61 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.87 1qk6 s VAL 5 Cb -0.14 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1qk6 s VAL 5 CO 0.54 -0.45 0.49 0.49 0.00 0.00 0.00 175.10 176.16 1qk6 n PHE 6 N -3.65 -1.82 -3.57 5.22 3.01 0.14 -4.94 117.46 111.85 1qk6 n PHE 6 Ca 0.08 0.44 -0.37 0.00 1.01 0.00 0.00 57.45 58.60 1qk6 n PHE 6 Cb 0.54 -3.64 -0.10 0.00 -0.01 0.00 0.00 39.48 36.27 1qk6 n PHE 6 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1qk6 s ASP 7 N -2.63 6.14 0.10 4.37 1.11 -1.22 -4.72 116.67 119.81 1qk6 s ASP 7 Ca 0.31 0.14 -0.36 0.00 0.18 0.00 0.00 52.55 52.83 1qk6 s ASP 7 Cb -0.15 -2.14 -0.16 0.00 1.07 0.00 0.00 42.92 41.54 1qk6 s ASP 7 CO 0.38 -0.02 1.44 0.00 1.18 0.00 0.00 175.17 178.16 1qk6 n ALA 8 N 4.66 -0.13 -2.34 5.23 0.00 -1.26 0.05 120.51 126.72 1qk6 n ALA 8 Ca -0.13 0.49 -0.08 0.00 0.00 0.00 0.00 53.44 53.72 1qk6 n ALA 8 Cb 0.52 -2.18 -0.10 0.00 0.00 0.00 0.00 19.45 17.69 1qk6 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qk6 s THR 10 N -3.35 5.29 0.14 0.00 2.01 -1.26 -4.53 115.64 113.93 1qk6 s THR 10 Ca 0.02 0.53 -0.30 0.00 0.31 0.00 0.00 61.69 62.24 1qk6 s THR 10 Cb 0.04 -3.59 -0.07 0.00 0.01 0.00 0.00 72.50 68.89 1qk6 s THR 10 CO -0.08 0.49 1.15 -2.16 -0.69 0.00 0.00 174.62 173.33 1qk6 s PRO 11 N -0.28 4.52 -0.34 4.92 0.04 -1.26 -2.73 135.00 139.86 1qk6 s PRO 11 Ca 0.18 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1qk6 s PRO 11 Cb -0.14 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1qk6 s PRO 11 CO 0.06 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.45 1qk6 n GLY 12 N 2.46 0.63 1.44 0.56 0.00 -1.26 -4.85 105.19 104.17 1qk6 n GLY 12 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1qk6 n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qk6 n LYS 13 N -2.71 0.00 -4.50 1.61 4.76 -1.11 -5.08 118.16 111.13 1qk6 n LYS 13 Ca -0.03 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.07 1qk6 n LYS 13 Cb 0.13 -0.26 -0.10 0.00 -1.84 0.00 0.00 35.03 32.96 1qk6 n LYS 13 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1qk6 s ASN 14 N -5.46 4.87 0.09 4.39 3.84 -1.11 -5.01 114.94 116.55 1qk6 s ASN 14 Ca 0.00 0.02 0.14 0.00 0.21 0.00 0.00 52.86 53.23 1qk6 s ASN 14 Cb 0.00 -1.27 -0.12 0.00 -0.55 0.00 0.00 41.25 39.31 1qk6 s ASN 14 CO 0.00 0.35 0.98 -0.33 -2.79 0.00 0.00 177.10 175.31 1qk6 h GLU 15 N 5.05 0.00 0.00 0.43 4.39 -1.98 -3.46 114.58 119.02 1qk6 h GLU 15 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1qk6 h GLU 15 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1qk6 h GLU 15 CO 0.54 0.46 0.00 0.00 -1.16 0.00 0.00 179.01 178.85 1qk6 h PRO 18 N -1.85 0.69 0.00 0.00 0.13 -1.97 -3.19 132.00 125.81 1qk6 h PRO 18 Ca -0.51 -0.73 0.00 0.00 -0.87 0.00 0.00 66.00 63.89 1qk6 h PRO 18 Cb 1.29 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.62 1qk6 h PRO 18 CO 0.51 1.31 -0.22 0.09 -0.23 0.00 0.00 178.00 179.46 1qk6 n ASN 19 N -3.89 0.25 -4.74 1.44 4.13 -1.26 -4.85 115.26 106.34 1qk6 n ASN 19 Ca -0.11 0.20 -0.23 0.00 1.68 0.00 0.00 54.58 56.12 1qk6 n ASN 19 Cb 0.86 -0.20 -0.06 0.00 -1.54 0.00 0.00 39.78 38.84 1qk6 n ASN 19 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1qk6 s ARG 20 N -3.01 2.38 0.03 3.52 0.52 -1.21 -3.79 118.95 117.39 1qk6 s ARG 20 Ca 0.12 -1.54 -0.05 0.00 -0.52 0.00 0.00 55.73 53.74 1qk6 s ARG 20 Cb 0.18 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.46 1qk6 s ARG 20 CO 0.61 0.11 0.09 0.14 0.02 0.00 0.00 175.30 176.27 1qk6 s VAL 21 N -2.42 0.12 -0.26 3.52 -7.23 -0.81 -4.39 120.40 108.93 1qk6 s VAL 21 Ca 0.38 -0.98 -0.29 0.00 -1.81 0.00 0.00 61.98 59.28 1qk6 s VAL 21 Cb -0.03 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 36.21 1qk6 s VAL 21 CO 0.23 -0.54 1.17 0.00 -0.31 0.00 0.00 175.10 175.65 1qk6 s SER 23 N 1.93 6.91 -0.20 0.00 0.15 -0.48 -4.93 113.70 117.08 1qk6 s SER 23 Ca 0.50 1.23 -0.19 0.00 0.70 0.00 0.00 55.95 58.19 1qk6 s SER 23 Cb -0.16 -2.35 -0.20 0.00 -1.71 0.00 0.00 66.02 61.60 1qk6 s SER 23 CO 0.15 0.04 0.21 -0.67 1.20 0.00 0.00 173.24 174.18 1qk6 n ASP 24 N 0.65 1.91 0.06 5.45 2.03 -1.26 -1.40 116.55 123.99 1qk6 n ASP 24 Ca -0.03 0.38 -0.00 0.00 0.52 0.00 0.00 54.79 55.66 1qk6 n ASP 24 Cb 0.52 -0.94 0.29 0.00 -0.72 0.00 0.00 41.12 40.26 1qk6 n ASP 24 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1qk6 h LYS 25 N -0.83 0.36 0.00 -0.67 1.63 -1.97 -2.75 116.57 112.34 1qk6 h LYS 25 Ca -0.38 -0.11 -0.17 0.00 -0.85 0.00 0.00 60.65 59.14 1qk6 h LYS 25 Cb 1.44 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 33.01 1qk6 h LYS 25 CO -0.17 0.54 -1.34 0.45 -3.45 0.00 0.00 179.45 175.48 1qk6 h HIS 26 N 0.33 0.00 -0.42 1.91 3.86 -1.99 -3.48 115.15 115.36 1qk6 h HIS 26 Ca 0.06 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.09 1qk6 h HIS 26 Cb 0.52 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.92 1qk6 h HIS 26 CO 0.01 0.61 -0.16 1.63 0.86 0.00 0.00 177.93 180.87 1qk6 n LYS 27 N -2.94 -0.89 -3.93 2.45 5.02 -0.49 -4.98 118.16 112.39 1qk6 n LYS 27 Ca -0.09 0.76 -0.09 0.00 -2.02 0.00 0.00 58.31 56.86 1qk6 n LYS 27 Cb 0.85 -4.71 -0.07 0.00 -0.02 0.00 0.00 35.03 31.08 1qk6 n LYS 27 CO 0.00 0.00 0.00 1.67 -0.52 0.00 0.00 177.40 178.55 1qk6 s TRP 28 N -2.19 0.34 0.14 2.13 -2.14 -1.19 -2.00 118.94 114.04 1qk6 s TRP 28 Ca 0.00 -0.71 -0.30 0.00 2.66 0.00 0.00 56.10 57.75 1qk6 s TRP 28 Cb 0.00 -0.03 -0.08 0.00 -3.10 0.00 0.00 33.47 30.27 1qk6 s TRP 28 CO 0.00 -0.71 1.27 0.00 -2.66 0.00 0.00 176.95 174.85 1qk6 s LYS 30 N 0.45 1.41 0.49 0.00 -2.85 -0.34 0.25 119.74 119.15 1qk6 s LYS 30 Ca 0.58 -1.76 -0.18 0.00 -1.00 0.00 0.00 55.97 53.61 1qk6 s LYS 30 Cb -0.34 -0.24 -0.08 0.00 -2.06 0.00 0.00 37.83 35.10 1qk6 s LYS 30 CO 0.33 -0.30 0.99 -1.58 0.10 0.00 0.00 175.35 174.89 1qk6 s TRP 31 N -3.77 3.33 -0.05 1.78 0.52 -1.26 -1.92 118.94 117.58 1qk6 s TRP 31 Ca 0.38 1.52 0.13 0.00 0.02 0.00 0.00 56.10 58.15 1qk6 s TRP 31 Cb 0.08 -2.85 -0.21 0.00 -1.15 0.00 0.00 33.47 29.33 1qk6 s TRP 31 CO 0.14 -0.39 0.71 0.87 0.02 0.00 0.00 176.95 178.29 1qk6 h LYS 32 N 1.23 0.00 -0.03 4.98 1.57 -1.95 -3.47 116.57 118.91 1qk6 h LYS 32 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1qk6 h LYS 32 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1qk6 h LYS 32 CO 0.61 0.48 0.00 1.28 -0.57 0.00 0.00 179.45 181.24