#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz n GLN 39 N 0.00 -4.85 -0.47 0.38 7.27 -1.26 -4.90 117.38 113.55 3hkz n GLN 39 Ca 0.00 0.68 0.07 0.00 0.07 0.00 0.00 57.00 57.81 3hkz n GLN 39 Cb 0.00 -5.31 0.26 0.00 2.41 0.00 0.00 30.24 27.60 3hkz n GLN 39 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3hkz n ASP 40 N -3.06 3.66 0.09 1.69 8.00 -1.26 -4.58 116.55 121.08 3hkz n ASP 40 Ca -0.27 -2.35 0.11 0.00 0.71 0.00 0.00 54.79 53.00 3hkz n ASP 40 Cb 0.67 -0.50 0.59 0.00 -0.02 0.00 0.00 41.12 41.86 3hkz n ASP 40 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3hkz h ILE 41 N 2.98 0.93 0.00 0.53 2.04 -2.03 -1.08 117.51 120.89 3hkz h ILE 41 Ca 0.00 -0.06 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 3hkz h ILE 41 Cb 1.16 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 3hkz h ILE 41 CO 0.19 0.03 -0.56 -0.33 0.00 0.00 0.00 178.15 177.47 3hkz h GLU 42 N 0.16 0.00 0.00 2.37 3.07 -2.02 -3.45 114.58 114.71 3hkz h GLU 42 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3hkz h GLU 42 Cb 0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3hkz h GLU 42 CO -0.02 0.76 -0.00 -0.07 -1.40 0.00 0.00 179.01 178.28 3hkz h LEU 43 N -1.00 -0.00 -0.83 1.33 4.07 -1.49 -3.28 115.31 114.11 3hkz h LEU 43 Ca -0.14 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 3hkz h LEU 43 Cb 0.95 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.65 3hkz h LEU 43 CO -0.08 -0.00 0.46 -0.07 -1.08 0.00 0.00 178.44 177.67 3hkz h LEU 44 N -0.00 1.02 -0.48 1.67 4.07 -1.79 -2.31 115.31 117.49 3hkz h LEU 44 Ca -0.00 -0.09 0.10 0.00 0.08 0.00 0.00 57.88 57.96 3hkz h LEU 44 Cb 0.00 -0.26 -0.10 0.00 1.08 0.00 0.00 40.66 41.38 3hkz h LEU 44 CO -0.00 0.82 -0.26 0.24 -1.08 0.00 0.00 178.44 178.16 3hkz h MET 45 N 1.15 -0.14 -0.04 1.13 2.86 -1.81 -3.01 114.93 115.05 3hkz h MET 45 Ca 0.29 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.95 3hkz h MET 45 Cb 0.02 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 3hkz h MET 45 CO -0.05 -0.09 0.07 0.00 1.06 0.00 0.00 176.91 177.89 3hkz h ARG 46 N -0.15 0.00 0.00 1.72 3.08 -1.47 -3.27 114.38 114.29 3hkz h ARG 46 Ca 0.22 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3hkz h ARG 46 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3hkz h ARG 46 CO -0.57 0.00 -0.00 -0.91 -1.07 0.00 0.00 179.97 177.42 3hkz h ASN 47 N 0.00 -0.00 0.03 7.04 -0.26 -1.60 -3.27 115.58 117.52 3hkz h ASN 47 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3hkz h ASN 47 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 3hkz h ASN 47 CO -0.00 0.01 0.00 1.07 -1.06 0.00 0.00 177.43 177.45 3hkz n THR 48 N -2.07 1.88 0.14 2.81 5.66 -1.24 -0.37 114.28 121.09 3hkz n THR 48 Ca -0.00 0.47 -0.25 0.00 -3.05 0.00 0.00 64.05 61.22 3hkz n THR 48 Cb 0.00 -1.45 -0.16 0.00 -1.55 0.00 0.00 70.33 67.17 3hkz n THR 48 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3hkz h GLU 49 N 0.00 0.56 0.81 1.09 4.81 -1.71 -3.31 114.58 116.83 3hkz h GLU 49 Ca 0.00 -0.93 -0.04 0.00 -0.13 0.00 0.00 59.36 58.27 3hkz h GLU 49 Cb 0.02 0.34 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 3hkz h GLU 49 CO 0.00 1.44 -0.46 0.82 -0.73 0.00 0.00 179.01 180.08 3hkz h ILE 50 N 0.16 0.07 -1.15 2.32 2.04 -0.75 -2.96 117.51 117.24 3hkz h ILE 50 Ca -0.25 0.00 0.42 0.00 1.00 0.00 0.00 64.86 66.03 3hkz h ILE 50 Cb 2.15 0.07 -0.14 0.00 -0.74 0.00 0.00 36.82 38.15 3hkz h ILE 50 CO 0.27 0.00 0.71 0.79 0.00 0.00 0.00 178.15 179.92 3hkz n TRP 51 N -5.61 0.78 0.00 1.37 7.02 -1.05 -1.41 117.44 118.53 3hkz n TRP 51 Ca -0.15 0.79 -0.10 0.00 -1.02 0.00 0.00 57.50 57.02 3hkz n TRP 51 Cb 0.49 -1.21 -0.03 0.00 -2.42 0.00 0.00 31.31 28.14 3hkz n TRP 51 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 3hkz h ASP 52 N 0.00 -0.71 0.70 -0.99 1.82 -1.61 -2.25 116.42 113.38 3hkz h ASP 52 Ca 0.80 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 57.54 3hkz h ASP 52 Cb 2.42 0.32 -0.00 0.00 0.68 0.00 0.00 39.33 42.75 3hkz h ASP 52 CO -0.51 -0.28 -0.06 0.78 -1.61 0.00 0.00 179.24 177.56 3hkz h ASN 53 N -0.29 0.00 0.00 2.28 2.35 -1.38 0.07 115.58 118.61 3hkz h ASN 53 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3hkz h ASN 53 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3hkz h ASN 53 CO -0.30 0.06 0.00 0.18 -1.65 0.00 0.00 177.43 175.72 3hkz n LEU 54 N -3.24 0.60 0.00 1.61 4.77 -0.85 -4.10 117.00 115.79 3hkz n LEU 54 Ca -0.01 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3hkz n LEU 54 Cb 0.27 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3hkz n LEU 54 CO 0.27 0.15 0.00 0.18 -1.33 0.00 0.00 177.39 176.66 3hkz n LEU 55 N -0.05 0.00 0.00 2.23 4.32 -0.01 -5.11 117.00 118.39 3hkz n LEU 55 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3hkz n LEU 55 Cb 0.15 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 3hkz n LEU 55 CO 0.00 -0.01 0.00 -0.46 -1.22 0.00 0.00 177.39 175.70 3hkz n ASN 56 N -1.04 2.08 -2.65 -1.43 0.23 -1.10 -5.12 115.26 106.22 3hkz n ASN 56 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.02 3hkz n ASN 56 Cb 0.00 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.76 3hkz n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hkz n GLY 57 N 0.00 -1.50 2.88 4.83 0.00 -1.26 -4.46 105.19 105.68 3hkz n GLY 57 Ca 0.00 0.60 -0.16 0.00 0.00 0.00 0.00 46.02 46.46 3hkz n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s LYS 58 N 0.01 0.06 0.00 1.61 -0.14 -1.26 -4.84 119.74 115.18 3hkz s LYS 58 Ca 0.13 0.54 0.00 0.00 -1.36 0.00 0.00 55.97 55.28 3hkz s LYS 58 Cb 0.19 -0.23 0.00 0.00 -1.68 0.00 0.00 37.83 36.11 3hkz s LYS 58 CO -0.14 -0.27 0.00 -0.89 -0.76 0.00 0.00 175.35 173.29 3hkz n ILE 59 N 5.07 0.00 0.32 2.17 2.08 -1.26 -4.23 119.36 123.51 3hkz n ILE 59 Ca -0.10 0.00 0.21 0.00 0.56 0.00 0.00 62.75 63.42 3hkz n ILE 59 Cb 0.50 0.00 1.03 0.00 -0.75 0.00 0.00 39.64 40.42 3hkz n ILE 59 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hkz h THR 60 N 0.00 0.00 0.30 1.39 1.03 -1.98 -2.08 112.91 111.57 3hkz h THR 60 Ca 0.00 -0.16 -0.01 0.00 -0.01 0.00 0.00 66.41 66.24 3hkz h THR 60 Cb 0.00 1.13 -0.02 0.00 -1.07 0.00 0.00 68.15 68.19 3hkz h THR 60 CO 0.00 0.00 -0.39 -0.07 -0.01 0.00 0.00 175.52 175.05 3hkz h LEU 61 N 0.00 -1.11 -1.11 0.00 3.38 -1.89 0.54 115.31 115.12 3hkz h LEU 61 Ca 0.00 0.10 0.28 0.00 0.09 0.00 0.00 57.88 58.35 3hkz h LEU 61 Cb 0.16 0.38 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 3hkz h LEU 61 CO 0.00 -0.49 0.62 -0.33 0.09 0.00 0.00 178.44 178.33 3hkz h GLU 62 N -0.72 0.43 -0.08 1.13 5.08 -1.75 0.99 114.58 119.66 3hkz h GLU 62 Ca -0.04 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.12 3hkz h GLU 62 Cb 0.64 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3hkz h GLU 62 CO -0.10 0.29 -0.71 0.93 -1.00 0.00 0.00 179.01 178.42 3hkz h GLU 63 N 0.44 0.40 -0.00 2.33 5.08 -0.99 0.11 114.58 121.95 3hkz h GLU 63 Ca 0.67 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3hkz h GLU 63 Cb 1.49 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.80 3hkz h GLU 63 CO -0.47 0.95 -0.62 0.00 -1.00 0.00 0.00 179.01 177.87 3hkz n ALA 64 N -2.51 3.87 -0.06 3.43 0.00 0.18 -3.51 120.51 121.91 3hkz n ALA 64 Ca -0.04 -0.46 -0.05 0.00 0.00 0.00 0.00 53.44 52.89 3hkz n ALA 64 Cb 0.69 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 3hkz n ALA 64 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hkz h LYS 65 N 0.35 0.00 -0.61 0.00 1.57 0.10 -0.09 116.57 117.90 3hkz h LYS 65 Ca 0.00 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 3hkz h LYS 65 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3hkz h LYS 65 CO 0.00 0.31 1.00 1.17 -0.57 0.00 0.00 179.45 181.35 3hkz n LYS 66 N -4.70 0.02 -0.00 3.15 4.81 0.39 0.07 118.16 121.89 3hkz n LYS 66 Ca -0.05 0.86 0.03 0.00 -0.87 0.00 0.00 58.31 58.28 3hkz n LYS 66 Cb 0.18 -2.21 -0.04 0.00 0.02 0.00 0.00 35.03 32.99 3hkz n LYS 66 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3hkz n LEU 67 N -2.73 0.12 0.16 3.14 4.32 -1.23 -2.82 117.00 117.96 3hkz n LEU 67 Ca 0.14 -0.24 0.11 0.00 -0.02 0.00 0.00 56.01 55.99 3hkz n LEU 67 Cb 1.18 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 43.06 3hkz n LEU 67 CO 0.14 0.03 0.43 0.15 -1.22 0.00 0.00 177.39 176.92 3hkz h PHE 68 N 0.00 0.00 0.00 -1.77 3.57 0.13 -3.31 116.94 115.55 3hkz h PHE 68 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3hkz h PHE 68 Cb 0.19 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 3hkz h PHE 68 CO 0.00 0.06 -0.36 0.93 -2.23 0.00 0.00 178.31 176.71 3hkz h GLU 69 N 0.00 0.00 -0.32 1.11 3.07 -0.54 -3.29 114.58 114.62 3hkz h GLU 69 Ca -0.01 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.95 3hkz h GLU 69 Cb 1.05 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.90 3hkz h GLU 69 CO 0.01 0.26 0.03 -0.25 -1.40 0.00 0.00 179.01 177.65 3hkz n ASP 70 N -4.65 -0.02 -0.09 1.42 10.43 -1.13 -0.02 116.55 122.49 3hkz n ASP 70 Ca -0.08 0.54 -0.14 0.00 2.57 0.00 0.00 54.79 57.68 3hkz n ASP 70 Cb 0.25 -0.21 -0.03 0.00 1.84 0.00 0.00 41.12 42.98 3hkz n ASP 70 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3hkz h ASN 71 N 0.00 0.96 -0.72 -2.24 2.35 -1.65 -2.58 115.58 111.70 3hkz h ASN 71 Ca 0.20 -0.49 0.05 0.00 -0.55 0.00 0.00 56.30 55.51 3hkz h ASN 71 Cb 0.44 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 3hkz h ASN 71 CO -0.29 1.29 0.43 0.22 -1.65 0.00 0.00 177.43 177.42 3hkz h TYR 72 N 0.69 0.79 0.00 1.19 -0.00 -0.51 -3.06 116.97 116.07 3hkz h TYR 72 Ca 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.78 3hkz h TYR 72 Cb 1.09 -0.25 0.00 0.00 -0.00 0.00 0.00 36.73 37.57 3hkz h TYR 72 CO 0.07 0.41 0.00 1.63 -0.00 0.00 0.00 178.16 180.26 3hkz n LYS 73 N -4.71 0.74 -0.04 1.82 4.76 -0.97 -3.96 118.16 115.79 3hkz n LYS 73 Ca 0.09 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.49 3hkz n LYS 73 Cb 0.15 -1.28 -0.07 0.00 -1.84 0.00 0.00 35.03 31.99 3hkz n LYS 73 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3hkz n GLU 74 N 0.32 2.55 -0.93 1.97 1.02 -1.15 -4.77 120.64 119.64 3hkz n GLU 74 Ca 0.00 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 3hkz n GLU 74 Cb 0.26 -1.22 -0.06 0.00 -0.02 0.00 0.00 31.44 30.40 3hkz n GLU 74 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hkz n TYR 75 N -2.31 0.62 0.00 -0.32 4.01 -1.25 -3.93 117.16 113.97 3hkz n TYR 75 Ca -0.14 -1.54 0.00 0.00 -0.16 0.00 0.00 57.90 56.06 3hkz n TYR 75 Cb 0.77 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.69 3hkz n TYR 75 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3hkz n GLU 76 N 1.46 3.54 -0.24 -0.72 0.00 -1.26 -5.17 120.64 118.26 3hkz n GLU 76 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.45 3hkz n GLU 76 Cb 0.66 -0.35 0.00 0.00 0.00 0.00 0.00 31.44 31.75 3hkz n GLU 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3hkz n LYS 77 N -0.57 -0.66 -4.28 3.44 0.00 -1.25 -5.09 118.16 109.74 3hkz n LYS 77 Ca 0.00 0.50 -0.19 0.00 0.00 0.00 0.00 58.31 58.62 3hkz n LYS 77 Cb 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 35.03 34.34 3hkz n LYS 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3hkz s ARG 78 N -5.20 1.12 0.00 1.64 0.52 -1.26 -5.18 118.95 110.59 3hkz s ARG 78 Ca 0.00 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 53.89 3hkz s ARG 78 Cb 0.00 -1.03 0.00 0.00 0.52 0.00 0.00 34.95 34.44 3hkz s ARG 78 CO 0.00 0.20 0.00 -0.25 0.02 0.00 0.00 175.30 175.27 3hkz n ASP 79 N 0.36 0.00 -1.99 0.23 8.00 -1.26 -5.15 116.55 116.74 3hkz n ASP 79 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 3hkz n ASP 79 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 3hkz n ASP 79 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3hkz n SER 80 N 0.00 0.00 -2.95 -2.24 2.88 -1.26 -5.04 113.62 105.00 3hkz n SER 80 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 3hkz n SER 80 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3hkz n SER 80 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3hkz n ARG 81 N 0.00 3.57 0.00 -1.46 0.63 -1.26 -5.35 116.66 112.79 3hkz n ARG 81 Ca 0.00 -4.73 0.00 0.00 -0.92 0.00 0.00 57.85 52.20 3hkz n ARG 81 Cb 0.00 -2.27 0.00 0.00 0.45 0.00 0.00 32.46 30.64 3hkz n ARG 81 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99