#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgg s VAL 2 N 0.00 1.07 0.14 0.44 1.01 -1.26 -4.89 120.40 116.92 2kgg s VAL 2 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2kgg s VAL 2 Cb 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.48 2kgg s VAL 2 CO 0.00 0.31 0.20 0.00 0.00 0.00 0.00 175.10 175.61 2kgg s ALA 4 N -2.17 3.60 -0.29 0.00 0.00 -0.55 -4.88 121.76 117.48 2kgg s ALA 4 Ca 0.15 -0.40 -0.27 0.00 0.00 0.00 0.00 51.96 51.45 2kgg s ALA 4 Cb -0.01 -3.11 0.19 0.00 0.00 0.00 0.00 23.12 20.18 2kgg s ALA 4 CO 0.09 -0.90 1.38 0.00 0.00 0.00 0.00 175.76 176.34 2kgg s ALA 5 N 2.62 -2.17 0.31 0.00 0.00 -1.26 -4.20 121.76 117.07 2kgg s ALA 5 Ca 0.28 1.76 0.09 0.00 0.00 0.00 0.00 51.96 54.09 2kgg s ALA 5 Cb -0.15 -1.64 0.87 0.00 0.00 0.00 0.00 23.12 22.20 2kgg s ALA 5 CO 0.09 -0.16 1.70 1.96 0.00 0.00 0.00 175.76 179.35 2kgg h GLN 6 N 2.79 0.46 -3.14 0.00 4.20 -1.94 -3.31 115.11 114.16 2kgg h GLN 6 Ca -0.20 -0.03 -0.54 0.00 0.06 0.00 0.00 58.65 57.94 2kgg h GLN 6 Cb 1.19 -0.10 -0.40 0.00 0.30 0.00 0.00 27.48 28.47 2kgg h GLN 6 CO 0.20 0.30 -0.77 1.21 -0.67 0.00 0.00 178.83 179.10 2kgg s ASN 7 N -5.14 3.52 -0.31 1.46 2.47 -1.26 -5.10 114.94 110.58 2kgg s ASN 7 Ca -0.11 -1.29 -0.15 0.00 0.42 0.00 0.00 52.86 51.73 2kgg s ASN 7 Cb 0.27 -0.53 -0.02 0.00 -1.45 0.00 0.00 41.25 39.51 2kgg s ASN 7 CO 0.79 -0.41 0.37 0.00 -3.72 0.00 0.00 177.10 174.13 2kgg n GLN 9 N 5.37 0.38 -3.59 0.00 6.02 -1.26 -4.93 117.38 119.36 2kgg n GLN 9 Ca -0.09 0.05 -0.27 0.00 -0.01 0.00 0.00 57.00 56.69 2kgg n GLN 9 Cb 0.50 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.29 2kgg n GLN 9 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2kgg n ARG 10 N -1.27 -5.43 -2.26 -1.09 1.74 -1.26 -4.95 116.66 102.14 2kgg n ARG 10 Ca 0.12 0.67 -0.41 0.00 -0.77 0.00 0.00 57.85 57.47 2kgg n ARG 10 Cb 0.19 -5.56 -0.03 0.00 -1.02 0.00 0.00 32.46 26.04 2kgg n ARG 10 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2kgg s PRO 11 N -6.29 4.46 -0.06 5.56 0.02 -1.26 -5.02 135.00 132.41 2kgg s PRO 11 Ca 0.54 2.04 -0.02 0.00 0.02 0.00 0.00 61.00 63.58 2kgg s PRO 11 Cb -0.26 -3.13 0.03 0.00 0.02 0.00 0.00 34.50 31.16 2kgg s PRO 11 CO 0.67 -0.05 0.06 0.00 -0.33 0.00 0.00 177.00 177.34 2kgg s LYS 13 N 2.15 1.58 -0.01 0.00 1.02 -1.26 -5.09 119.74 118.13 2kgg s LYS 13 Ca 0.05 -1.65 -0.07 0.00 0.02 0.00 0.00 55.97 54.32 2kgg s LYS 13 Cb -0.13 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.52 2kgg s LYS 13 CO -0.04 -0.61 0.59 -0.44 -0.92 0.00 0.00 175.35 173.93 2kgg h ASP 14 N 2.30 -0.22 -2.32 2.83 3.32 -2.07 -3.40 116.42 116.88 2kgg h ASP 14 Ca -0.30 0.01 -0.65 0.00 0.02 0.00 0.00 57.03 56.11 2kgg h ASP 14 Cb 1.24 0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.70 2kgg h ASP 14 CO 0.42 -0.06 0.83 -0.75 -1.72 0.00 0.00 179.24 177.96 2kgg s LYS 15 N -2.64 3.41 -0.30 3.56 2.47 -1.26 -4.87 119.74 120.11 2kgg s LYS 15 Ca -0.04 -1.28 -0.02 0.00 -1.56 0.00 0.00 55.97 53.07 2kgg s LYS 15 Cb 0.00 -4.70 0.19 0.00 -1.46 0.00 0.00 37.83 31.86 2kgg s LYS 15 CO 0.11 -1.86 0.75 0.54 0.16 0.00 0.00 175.35 175.05 2kgg s VAL 16 N 3.61 -0.75 0.46 4.02 0.11 -1.26 -5.16 120.40 121.43 2kgg s VAL 16 Ca 0.31 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.13 2kgg s VAL 16 Cb -0.09 -0.84 -0.07 0.00 -1.53 0.00 0.00 36.38 33.85 2kgg s VAL 16 CO -0.02 0.00 1.18 -1.81 -3.33 0.00 0.00 175.10 171.12 2kgg s ASP 17 N 2.88 6.13 0.28 3.54 1.11 -1.26 -4.97 116.67 124.37 2kgg s ASP 17 Ca 0.15 2.34 0.10 0.00 0.18 0.00 0.00 52.55 55.32 2kgg s ASP 17 Cb -0.10 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.24 2kgg s ASP 17 CO -0.22 -0.95 -0.07 0.26 1.18 0.00 0.00 175.17 175.37 2kgg s TRP 18 N -1.52 2.54 -0.03 4.23 0.52 -1.26 -4.40 118.94 119.01 2kgg s TRP 18 Ca 0.64 -0.28 0.05 0.00 0.02 0.00 0.00 56.10 56.53 2kgg s TRP 18 Cb -0.29 -1.15 -0.01 0.00 -1.15 0.00 0.00 33.47 30.87 2kgg s TRP 18 CO 0.36 0.64 -0.17 0.14 0.02 0.00 0.00 176.95 177.94 2kgg s VAL 19 N -2.41 1.37 -0.11 4.03 -7.23 -0.43 -4.99 120.40 110.63 2kgg s VAL 19 Ca 0.31 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.74 2kgg s VAL 19 Cb -0.05 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 2kgg s VAL 19 CO 0.18 0.39 0.05 -1.58 -0.31 0.00 0.00 175.10 173.83 2kgg s GLN 20 N -0.10 3.29 -0.52 4.82 0.74 -1.26 0.10 119.66 126.73 2kgg s GLN 20 Ca -0.00 -0.32 -0.23 0.00 0.05 0.00 0.00 55.36 54.85 2kgg s GLN 20 Cb -0.10 -2.97 0.04 0.00 1.10 0.00 0.00 33.01 31.08 2kgg s GLN 20 CO 0.01 0.64 0.87 0.00 -0.55 0.00 0.00 175.29 176.26 2kgg n ASP 22 N 7.13 1.60 -0.57 0.00 9.92 -1.25 -2.31 116.55 131.07 2kgg n ASP 22 Ca 0.01 -2.13 0.13 0.00 -0.53 0.00 0.00 54.79 52.27 2kgg n ASP 22 Cb 0.47 -0.41 0.34 0.00 -0.64 0.00 0.00 41.12 40.88 2kgg n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kgg n GLY 23 N 0.29 0.17 0.00 0.44 0.00 -1.26 -4.90 105.19 99.93 2kgg n GLY 23 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2kgg n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgg n GLY 24 N 1.27 1.27 0.08 -0.02 0.00 -1.25 -4.90 105.19 101.65 2kgg n GLY 24 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 2kgg n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgg n ASP 26 N -3.10 -5.63 -4.96 0.00 8.00 -0.98 -4.99 116.55 104.89 2kgg n ASP 26 Ca -0.09 0.40 -0.22 0.00 0.71 0.00 0.00 54.79 55.58 2kgg n ASP 26 Cb 0.95 -4.89 0.02 0.00 -0.02 0.00 0.00 41.12 37.17 2kgg n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kgg s GLU 27 N -4.07 2.95 -0.15 -1.24 2.02 -1.26 -4.82 118.70 112.14 2kgg s GLU 27 Ca 0.00 -0.60 -0.03 0.00 0.02 0.00 0.00 54.97 54.35 2kgg s GLU 27 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 2kgg s GLU 27 CO 0.00 -0.34 -0.04 -1.58 0.02 0.00 0.00 175.26 173.32 2kgg s TRP 28 N -2.57 3.03 0.16 1.61 0.52 -1.26 -1.71 118.94 118.73 2kgg s TRP 28 Ca 0.50 -0.25 0.10 0.00 0.02 0.00 0.00 56.10 56.47 2kgg s TRP 28 Cb -0.10 -1.94 -0.04 0.00 -1.15 0.00 0.00 33.47 30.24 2kgg s TRP 28 CO 0.37 0.01 -0.21 -0.06 0.02 0.00 0.00 176.95 177.08 2kgg s PHE 29 N 0.25 2.03 0.00 -1.98 0.40 0.12 -1.48 117.98 117.31 2kgg s PHE 29 Ca -0.03 -0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 55.72 2kgg s PHE 29 Cb -0.14 -1.03 -0.06 0.00 0.51 0.00 0.00 43.02 42.30 2kgg s PHE 29 CO 0.03 0.37 0.50 -1.01 0.70 0.00 0.00 175.22 175.81 2kgg s HIS 30 N -1.69 3.71 0.20 0.36 3.76 0.56 -1.31 115.29 120.87 2kgg s HIS 30 Ca 0.16 1.09 -0.11 0.00 -0.15 0.00 0.00 55.06 56.05 2kgg s HIS 30 Cb -0.08 -2.44 0.22 0.00 1.11 0.00 0.00 32.58 31.39 2kgg s HIS 30 CO 0.07 0.51 1.76 1.96 -0.85 0.00 0.00 174.74 178.19 2kgg h GLN 31 N 5.12 0.44 -0.24 1.40 4.20 -1.72 0.82 115.11 125.13 2kgg h GLN 31 Ca -0.48 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.01 2kgg h GLN 31 Cb 1.21 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.89 2kgg h GLN 31 CO 0.66 0.29 -0.60 -0.24 -0.67 0.00 0.00 178.83 178.27 2kgg h VAL 32 N 0.46 1.28 -0.05 -0.54 3.04 -1.90 0.83 116.25 119.37 2kgg h VAL 32 Ca 0.27 -1.79 -0.15 0.00 -1.01 0.00 0.00 66.70 64.02 2kgg h VAL 32 Cb 0.27 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.30 2kgg h VAL 32 CO -0.24 0.58 -0.66 0.00 -1.01 0.00 0.00 177.57 176.24 2kgg n VAL 34 N -3.82 0.69 -2.98 0.00 3.14 0.24 -4.47 118.33 111.12 2kgg n VAL 34 Ca -0.02 -0.85 -0.03 0.00 -2.96 0.00 0.00 64.34 60.48 2kgg n VAL 34 Cb 0.65 0.78 0.00 0.00 -1.06 0.00 0.00 33.84 34.22 2kgg n VAL 34 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kgg n GLY 35 N 1.24 -1.27 3.20 7.55 0.00 -0.57 -5.03 105.19 110.31 2kgg n GLY 35 Ca 0.18 0.78 -0.23 0.00 0.00 0.00 0.00 46.02 46.75 2kgg n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kgg s VAL 36 N -2.85 1.41 0.16 1.61 1.01 0.28 -5.00 120.40 117.02 2kgg s VAL 36 Ca 0.10 -1.10 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 2kgg s VAL 36 Cb -0.03 -1.24 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 2kgg s VAL 36 CO 0.76 0.12 0.49 -0.94 0.00 0.00 0.00 175.10 175.52 2kgg s SER 37 N -1.14 6.66 0.32 3.32 1.04 -1.26 -4.35 113.70 118.28 2kgg s SER 37 Ca 0.05 0.88 0.07 0.00 0.48 0.00 0.00 55.95 57.43 2kgg s SER 37 Cb -0.08 -2.21 0.78 0.00 0.10 0.00 0.00 66.02 64.61 2kgg s SER 37 CO 0.01 0.05 1.78 1.55 0.98 0.00 0.00 173.24 177.62 2kgg h PRO 38 N 3.12 0.70 0.00 4.02 0.13 -2.00 0.06 132.00 138.03 2kgg h PRO 38 Ca -0.48 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 2kgg h PRO 38 Cb 1.18 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2kgg h PRO 38 CO 0.68 0.46 -0.38 0.93 -0.23 0.00 0.00 178.00 179.47 2kgg h GLU 39 N 0.72 0.00 -0.32 0.86 5.08 -2.00 -2.97 114.58 115.95 2kgg h GLU 39 Ca 0.57 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.81 2kgg h GLU 39 Cb 0.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2kgg h GLU 39 CO -0.36 0.38 -0.30 1.98 -1.00 0.00 0.00 179.01 179.70 2kgg h MET 40 N 0.00 0.67 -0.99 2.33 4.05 -1.34 -2.17 114.93 117.48 2kgg h MET 40 Ca -0.00 -0.30 0.04 0.00 -0.28 0.00 0.00 59.70 59.15 2kgg h MET 40 Cb 0.99 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.72 2kgg h MET 40 CO 0.05 0.89 0.65 0.00 0.23 0.00 0.00 176.91 178.73 2kgg h ALA 41 N 1.09 1.35 0.00 0.39 0.00 -1.41 0.15 119.26 120.83 2kgg h ALA 41 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2kgg h ALA 41 Cb 0.81 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kgg h ALA 41 CO 0.07 0.55 -0.99 0.93 0.00 0.00 0.00 179.25 179.81 2kgg h GLU 42 N 1.26 0.00 0.00 0.00 5.08 -1.55 -3.41 114.58 115.95 2kgg h GLU 42 Ca 0.39 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.67 2kgg h GLU 42 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2kgg h GLU 42 CO -0.12 0.11 -1.31 0.09 -1.00 0.00 0.00 179.01 176.79 2kgg n ASN 43 N -2.82 3.85 -4.50 1.42 3.02 -0.83 -5.06 115.26 110.34 2kgg n ASN 43 Ca -0.02 -0.01 -0.25 0.00 -0.03 0.00 0.00 54.58 54.27 2kgg n ASN 43 Cb 0.64 0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 40.20 2kgg n ASN 43 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kgg s GLU 44 N -2.11 1.79 -0.32 3.52 2.02 0.51 -5.06 118.70 119.04 2kgg s GLU 44 Ca -0.03 -1.55 -0.26 0.00 0.02 0.00 0.00 54.97 53.15 2kgg s GLU 44 Cb 0.01 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.33 2kgg s GLU 44 CO 0.17 0.38 0.94 0.34 0.02 0.00 0.00 175.26 177.10 2kgg s ASP 45 N -3.14 6.78 -0.62 -0.19 2.15 -1.26 -4.53 116.67 115.86 2kgg s ASP 45 Ca 0.26 0.80 -0.26 0.00 0.43 0.00 0.00 52.55 53.79 2kgg s ASP 45 Cb -0.07 -2.48 0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2kgg s ASP 45 CO 0.14 -0.78 1.11 -0.47 -0.17 0.00 0.00 175.17 175.01 2kgg s TYR 46 N 3.35 2.59 -0.04 -5.34 5.04 -1.26 -5.00 117.35 116.68 2kgg s TYR 46 Ca 0.39 0.06 -0.14 0.00 -2.44 0.00 0.00 57.07 54.94 2kgg s TYR 46 Cb -0.13 -4.39 -0.05 0.00 0.35 0.00 0.00 41.96 37.74 2kgg s TYR 46 CO 0.15 -1.65 0.37 0.42 -1.34 0.00 0.00 175.55 173.50 2kgg s ILE 47 N 4.75 5.13 0.59 3.14 -1.09 -1.26 -3.77 121.20 128.69 2kgg s ILE 47 Ca 0.35 0.74 0.08 0.00 -2.23 0.00 0.00 60.65 59.59 2kgg s ILE 47 Cb -0.10 -3.67 0.09 0.00 -1.58 0.00 0.00 42.46 37.20 2kgg s ILE 47 CO 0.19 0.54 0.81 0.00 -1.23 0.00 0.00 174.94 175.25 2kgg h ILE 49 N 0.10 0.96 0.01 0.00 2.10 -1.98 -0.01 117.51 118.70 2kgg h ILE 49 Ca -0.31 -0.32 -0.21 0.00 1.08 0.00 0.00 64.86 65.11 2kgg h ILE 49 Cb 1.29 -0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 36.97 2kgg h ILE 49 CO 0.41 0.17 -0.92 0.78 -1.08 0.00 0.00 178.15 177.50 2kgg h ASN 50 N 0.92 0.29 0.85 2.19 4.21 -2.03 -3.10 115.58 118.91 2kgg h ASN 50 Ca 0.42 -0.24 -0.09 0.00 1.21 0.00 0.00 56.30 57.60 2kgg h ASN 50 Cb 0.32 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 2kgg h ASN 50 CO -0.23 1.06 -0.42 0.00 -1.29 0.00 0.00 177.43 176.55