#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkx n GLN 2 N 0.00 0.64 -3.83 3.49 6.02 0.05 -4.83 117.38 118.92 1wkx n GLN 2 Ca 0.00 -0.06 -0.06 0.00 -0.01 0.00 0.00 57.00 56.86 1wkx n GLN 2 Cb 0.00 -1.64 -0.01 0.00 1.02 0.00 0.00 30.24 29.61 1wkx n GLN 2 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wkx n GLY 4 N -0.49 -1.23 0.25 0.00 0.00 -0.36 -3.53 105.19 99.84 1wkx n GLY 4 Ca -0.05 -1.24 0.01 0.00 0.00 0.00 0.00 46.02 44.73 1wkx n GLY 4 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wkx h ARG 5 N 0.00 0.50 -0.24 1.61 3.08 -1.93 0.15 114.38 117.55 1wkx h ARG 5 Ca 0.00 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.09 1wkx h ARG 5 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1wkx h ARG 5 CO 0.00 0.33 0.18 1.96 -1.07 0.00 0.00 179.97 181.38 1wkx h GLN 6 N 0.52 0.00 -0.47 0.04 7.50 -1.92 -1.98 115.11 118.80 1wkx h GLN 6 Ca 0.33 0.00 -0.22 0.00 0.50 0.00 0.00 58.65 59.27 1wkx h GLN 6 Cb 0.38 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.78 1wkx h GLN 6 CO -0.29 0.00 0.08 0.00 -1.50 0.00 0.00 178.83 177.12 1wkx n ALA 7 N -2.54 4.37 -2.73 3.87 0.00 0.12 -4.94 120.51 118.67 1wkx n ALA 7 Ca 0.03 -2.94 -0.22 0.00 0.00 0.00 0.00 53.44 50.31 1wkx n ALA 7 Cb 0.33 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 18.91 1wkx n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wkx n GLY 8 N -0.99 -0.51 1.13 0.00 0.00 -0.74 -2.80 105.19 101.27 1wkx n GLY 8 Ca 0.37 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1wkx n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkx n GLY 9 N -1.28 0.74 3.67 -0.02 0.00 0.29 -4.99 105.19 103.61 1wkx n GLY 9 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1wkx n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wkx n LYS 10 N -2.17 1.80 -3.65 1.61 5.02 -1.12 -4.53 118.16 115.12 1wkx n LYS 10 Ca 0.00 0.64 -0.27 0.00 -2.02 0.00 0.00 58.31 56.66 1wkx n LYS 10 Cb 0.00 -2.26 -0.03 0.00 -0.02 0.00 0.00 35.03 32.72 1wkx n LYS 10 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wkx s LEU 11 N -1.17 4.20 0.59 -0.35 1.43 -1.26 -1.22 118.68 120.90 1wkx s LEU 11 Ca 0.60 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.99 1wkx s LEU 11 Cb -0.54 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1wkx s LEU 11 CO 0.59 -0.07 1.03 0.00 0.23 0.00 0.00 176.35 178.13 1wkx s PRO 13 N -4.40 2.52 -1.48 0.00 0.04 -1.26 -4.31 135.00 126.11 1wkx s PRO 13 Ca 0.60 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 1wkx s PRO 13 Cb -0.13 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.52 1wkx s PRO 13 CO 0.41 -1.31 0.81 -3.47 0.04 0.00 0.00 177.00 173.48 1wkx n ASP 14 N -3.22 -4.67 -1.65 6.66 2.03 -1.26 -2.16 116.55 112.28 1wkx n ASP 14 Ca 0.07 -0.63 -0.19 0.00 0.52 0.00 0.00 54.79 54.55 1wkx n ASP 14 Cb 0.56 -3.76 -0.08 0.00 -0.72 0.00 0.00 41.12 37.13 1wkx n ASP 14 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1wkx n ASN 15 N -2.65 -5.18 -4.78 1.67 5.03 -1.26 -4.94 115.26 103.15 1wkx n ASN 15 Ca 0.01 0.43 -0.36 0.00 0.87 0.00 0.00 54.58 55.54 1wkx n ASN 15 Cb 0.54 -4.57 -0.02 0.00 -1.02 0.00 0.00 39.78 34.70 1wkx n ASN 15 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1wkx s LEU 16 N -4.72 3.96 0.30 3.41 1.43 -0.92 -4.92 118.68 117.22 1wkx s LEU 16 Ca 0.00 2.11 -0.28 0.00 -1.03 0.00 0.00 54.13 54.93 1wkx s LEU 16 Cb 0.00 -4.36 -0.09 0.00 0.03 0.00 0.00 46.19 41.76 1wkx s LEU 16 CO 0.00 -0.81 1.06 0.00 0.23 0.00 0.00 176.35 176.83 1wkx s SER 19 N 1.79 1.83 0.62 0.00 1.04 0.26 -0.47 113.70 118.76 1wkx s SER 19 Ca 0.13 1.03 0.33 0.00 0.48 0.00 0.00 55.95 57.92 1wkx s SER 19 Cb -0.17 -1.59 1.83 0.00 0.10 0.00 0.00 66.02 66.19 1wkx s SER 19 CO 0.13 -3.61 2.12 0.06 0.98 0.00 0.00 173.24 172.93 1wkx h GLN 20 N -2.22 0.00 -0.01 4.02 3.07 -1.69 -0.87 115.11 117.41 1wkx h GLN 20 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.21 1wkx h GLN 20 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 1wkx h GLN 20 CO 0.50 0.00 -0.27 0.91 0.09 0.00 0.00 178.83 180.06 1wkx n TRP 21 N -3.44 0.00 -1.34 0.06 7.02 -1.26 -4.98 117.44 113.50 1wkx n TRP 21 Ca -0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1wkx n TRP 21 Cb 0.28 -0.14 0.00 0.00 -2.42 0.00 0.00 31.31 29.03 1wkx n TRP 21 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wkx n GLY 22 N 1.35 0.92 3.35 6.99 0.00 -0.33 -4.92 105.19 112.55 1wkx n GLY 22 Ca 0.12 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1wkx n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wkx s TRP 23 N -2.02 1.97 -0.09 1.61 0.52 -1.26 -0.77 118.94 118.90 1wkx s TRP 23 Ca 0.00 -0.42 -0.12 0.00 0.02 0.00 0.00 56.10 55.59 1wkx s TRP 23 Cb 0.00 -1.02 -0.05 0.00 -1.15 0.00 0.00 33.47 31.25 1wkx s TRP 23 CO 0.00 0.33 0.27 0.00 0.02 0.00 0.00 176.95 177.57 1wkx n GLY 25 N 2.35 1.01 0.00 0.00 0.00 -0.11 -4.95 105.19 103.49 1wkx n GLY 25 Ca -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1wkx n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wkx n SER 26 N -0.92 0.51 -4.93 1.61 3.41 -1.26 -0.76 113.62 111.28 1wkx n SER 26 Ca -0.01 -1.24 -0.22 0.00 -0.26 0.00 0.00 58.87 57.15 1wkx n SER 26 Cb 0.27 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1wkx n SER 26 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1wkx s THR 27 N -0.24 2.31 0.38 6.66 -4.23 -1.26 -4.91 115.64 114.36 1wkx s THR 27 Ca 0.00 -1.28 0.13 0.00 -1.18 0.00 0.00 61.69 59.36 1wkx s THR 27 Cb 0.00 -2.59 0.35 0.00 1.34 0.00 0.00 72.50 71.60 1wkx s THR 27 CO 0.00 0.00 1.86 -0.78 -0.54 0.00 0.00 174.62 175.16 1wkx h ASP 28 N 0.74 0.54 0.04 3.99 3.58 -1.97 -0.37 116.42 122.95 1wkx h ASP 28 Ca -0.38 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.11 1wkx h ASP 28 Cb 1.28 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 1wkx h ASP 28 CO 0.53 0.24 -0.03 -0.33 -2.88 0.00 0.00 179.24 176.77 1wkx h GLU 29 N 0.55 0.00 0.04 0.28 3.07 -1.95 -1.39 114.58 115.18 1wkx h GLU 29 Ca 0.46 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.97 1wkx h GLU 29 Cb 0.93 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.80 1wkx h GLU 29 CO -0.20 0.03 -2.12 0.66 -1.40 0.00 0.00 179.01 175.98 1wkx n TYR 30 N -4.37 0.63 0.33 4.33 4.02 -0.27 -4.59 117.16 117.24 1wkx n TYR 30 Ca -0.03 0.17 0.11 0.00 -0.01 0.00 0.00 57.90 58.14 1wkx n TYR 30 Cb 0.12 -1.10 -0.15 0.00 -0.02 0.00 0.00 39.34 38.19 1wkx n TYR 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wkx s SER 32 N -3.99 7.26 0.60 0.00 0.15 -0.54 -0.96 113.70 116.22 1wkx s SER 32 Ca -0.03 1.50 0.32 0.00 0.70 0.00 0.00 55.95 58.45 1wkx s SER 32 Cb 0.15 -2.46 1.92 0.00 -1.71 0.00 0.00 66.02 63.91 1wkx s SER 32 CO 0.89 0.15 2.27 -0.65 1.20 0.00 0.00 173.24 177.10 1wkx h PRO 33 N 4.88 0.00 0.00 5.44 0.11 -1.90 -0.48 132.00 140.05 1wkx h PRO 33 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wkx h PRO 33 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1wkx h PRO 33 CO 0.67 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.03 1wkx h ASP 34 N 0.00 0.00 -0.23 -2.05 3.45 -1.92 -1.79 116.42 113.88 1wkx h ASP 34 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1wkx h ASP 34 Cb 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1wkx h ASP 34 CO 0.00 0.00 0.00 1.41 -1.57 0.00 0.00 179.24 179.08 1wkx n HIS 35 N -2.32 0.53 -3.54 4.55 8.25 -0.21 -4.98 115.22 117.50 1wkx n HIS 35 Ca 0.01 -0.69 -0.21 0.00 -0.26 0.00 0.00 57.72 56.57 1wkx n HIS 35 Cb 0.20 -0.15 0.08 0.00 1.12 0.00 0.00 29.99 31.24 1wkx n HIS 35 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1wkx n ASN 36 N -0.21 -4.42 -4.66 0.41 3.02 -0.67 -3.99 115.26 104.73 1wkx n ASN 36 Ca 0.14 -0.59 -0.42 0.00 -0.03 0.00 0.00 54.58 53.68 1wkx n ASN 36 Cb 0.60 -5.02 -0.00 0.00 -0.61 0.00 0.00 39.78 34.75 1wkx n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wkx n GLN 38 N 0.40 0.67 -3.48 0.00 6.02 0.37 -4.89 117.38 116.49 1wkx n GLN 38 Ca 0.07 0.11 -0.12 0.00 -0.01 0.00 0.00 57.00 57.04 1wkx n GLN 38 Cb 0.37 -1.60 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 1wkx n GLN 38 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1wkx s SER 39 N -5.86 -0.52 -1.48 1.08 1.04 -1.23 -4.94 113.70 101.79 1wkx s SER 39 Ca -0.12 0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.38 1wkx s SER 39 Cb 0.07 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.76 1wkx s SER 39 CO 0.80 -0.75 0.97 0.59 0.98 0.00 0.00 173.24 175.83 1wkx n ASN 40 N 0.03 -5.25 -4.87 7.02 5.03 -1.26 -1.20 115.26 114.76 1wkx n ASN 40 Ca -0.15 -0.66 -0.31 0.00 0.87 0.00 0.00 54.58 54.34 1wkx n ASN 40 Cb 0.62 -4.18 -0.00 0.00 -1.02 0.00 0.00 39.78 35.19 1wkx n ASN 40 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wkx s LYS 42 N -4.78 1.32 0.00 0.00 2.20 -0.14 -5.05 119.74 113.29 1wkx s LYS 42 Ca 0.54 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1wkx s LYS 42 Cb -0.11 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.17 1wkx s LYS 42 CO 0.46 -1.87 0.00 -0.25 -0.36 0.00 0.00 175.35 173.33