#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 2.01 0.18 -3.33 1.01 -1.26 -4.95 120.40 114.06 2kgg s VAL 2 Ca 0.00 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.92 2kgg s VAL 2 Cb 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.73 2kgg s VAL 2 CO 0.00 0.57 0.22 0.00 0.00 0.00 0.00 175.10 175.89 2kgg s ALA 4 N -2.22 3.57 -0.25 0.00 0.00 -1.00 -4.93 121.76 116.93 2kgg s ALA 4 Ca 0.17 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 51.10 2kgg s ALA 4 Cb -0.01 -2.74 0.16 0.00 0.00 0.00 0.00 23.12 20.53 2kgg s ALA 4 CO 0.11 -0.64 1.21 0.00 0.00 0.00 0.00 175.76 176.44 2kgg s ALA 5 N 2.04 -2.06 0.34 0.00 0.00 -1.26 -4.26 121.76 116.55 2kgg s ALA 5 Ca 0.17 1.75 0.12 0.00 0.00 0.00 0.00 51.96 54.00 2kgg s ALA 5 Cb -0.16 -1.35 0.96 0.00 0.00 0.00 0.00 23.12 22.57 2kgg s ALA 5 CO 0.10 -0.22 1.73 0.37 0.00 0.00 0.00 175.76 177.73 2kgg h GLN 6 N 2.90 0.50 -2.94 0.00 4.15 -1.96 -3.33 115.11 114.43 2kgg h GLN 6 Ca -0.20 -0.03 -0.54 0.00 0.77 0.00 0.00 58.65 58.65 2kgg h GLN 6 Cb 1.18 -0.11 -0.40 0.00 0.21 0.00 0.00 27.48 28.36 2kgg h GLN 6 CO 0.21 0.33 -0.78 1.21 -1.93 0.00 0.00 178.83 177.88 2kgg s ASN 7 N -5.18 3.61 -0.36 -0.69 2.47 -1.26 -5.10 114.94 108.42 2kgg s ASN 7 Ca -0.10 -1.34 -0.14 0.00 0.42 0.00 0.00 52.86 51.70 2kgg s ASN 7 Cb 0.27 -0.45 -0.00 0.00 -1.45 0.00 0.00 41.25 39.62 2kgg s ASN 7 CO 0.80 -0.43 0.28 0.00 -3.72 0.00 0.00 177.10 174.02 2kgg n GLN 9 N 5.16 0.03 -3.90 0.00 6.02 -1.26 -4.93 117.38 118.51 2kgg n GLN 9 Ca -0.12 0.30 -0.31 0.00 -0.01 0.00 0.00 57.00 56.86 2kgg n GLN 9 Cb 0.49 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 30.19 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 -1.62 -2.03 -2.37 -1.09 1.74 -1.26 -4.92 116.66 105.11 2kgg n ARG 10 Ca 0.03 0.36 -0.42 0.00 -0.77 0.00 0.00 57.85 57.05 2kgg n ARG 10 Cb 0.17 -4.06 -0.03 0.00 -1.02 0.00 0.00 32.46 27.51 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 -6.52 4.43 -0.37 5.56 0.02 -1.26 -4.99 135.00 131.87 2kgg s PRO 11 Ca 0.23 1.85 -0.04 0.00 0.02 0.00 0.00 61.00 63.06 2kgg s PRO 11 Cb -0.10 -3.30 0.07 0.00 0.02 0.00 0.00 34.50 31.20 2kgg s PRO 11 CO 0.90 -0.24 0.14 0.00 -0.33 0.00 0.00 177.00 177.46 2kgg s LYS 13 N 1.27 0.24 -0.01 0.00 1.02 -1.26 -5.06 119.74 115.95 2kgg s LYS 13 Ca 0.02 -0.01 -0.24 0.00 0.02 0.00 0.00 55.97 55.76 2kgg s LYS 13 Cb -0.21 0.11 -0.16 0.00 -0.52 0.00 0.00 37.83 37.04 2kgg s LYS 13 CO -0.01 -0.04 1.13 -0.44 -0.92 0.00 0.00 175.35 175.07 2kgg h ASP 14 N 5.45 -0.29 -2.30 2.83 3.32 -2.07 -3.37 116.42 119.99 2kgg h ASP 14 Ca -0.27 -0.23 -0.61 0.00 0.02 0.00 0.00 57.03 55.94 2kgg h ASP 14 Cb 1.20 0.07 -0.13 0.00 0.22 0.00 0.00 39.33 40.70 2kgg h ASP 14 CO 0.42 0.13 0.87 -0.54 -1.72 0.00 0.00 179.24 178.40 2kgg s LYS 15 N -4.29 3.29 -0.30 3.56 1.02 -1.26 -4.87 119.74 116.89 2kgg s LYS 15 Ca -0.14 -0.90 -0.12 0.00 0.02 0.00 0.00 55.97 54.83 2kgg s LYS 15 Cb 0.02 -4.52 0.17 0.00 -0.52 0.00 0.00 37.83 32.98 2kgg s LYS 15 CO 0.53 -1.95 0.92 0.54 -0.92 0.00 0.00 175.35 174.47 2kgg s VAL 16 N 4.37 -0.57 0.26 3.17 0.11 -1.26 -5.16 120.40 121.32 2kgg s VAL 16 Ca 0.31 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.07 2kgg s VAL 16 Cb -0.10 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.66 2kgg s VAL 16 CO 0.05 0.00 0.97 -1.81 -3.33 0.00 0.00 175.10 170.98 2kgg s ASP 17 N 2.66 7.51 0.26 3.54 1.01 -1.26 -5.04 116.67 125.36 2kgg s ASP 17 Ca 0.01 1.99 0.08 0.00 0.71 0.00 0.00 52.55 55.34 2kgg s ASP 17 Cb -0.09 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 2kgg s ASP 17 CO -0.17 0.06 0.15 0.26 0.21 0.00 0.00 175.17 175.68 2kgg s TRP 18 N -1.25 2.99 -0.03 4.23 0.52 -1.26 -4.25 118.94 119.89 2kgg s TRP 18 Ca 0.43 -0.16 0.06 0.00 0.02 0.00 0.00 56.10 56.46 2kgg s TRP 18 Cb -0.26 -1.38 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 2kgg s TRP 18 CO 0.32 0.52 -0.20 0.14 0.02 0.00 0.00 176.95 177.76 2kgg s VAL 19 N -2.20 1.60 -0.10 4.03 -7.23 -0.13 -4.95 120.40 111.42 2kgg s VAL 19 Ca 0.33 -0.85 -0.03 0.00 -1.81 0.00 0.00 61.98 59.63 2kgg s VAL 19 Cb -0.07 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 2kgg s VAL 19 CO 0.24 0.45 0.01 -1.58 -0.31 0.00 0.00 175.10 173.91 2kgg s GLN 20 N -0.32 3.11 -0.37 4.82 0.74 -1.26 0.00 119.66 126.38 2kgg s GLN 20 Ca 0.04 -0.39 -0.21 0.00 0.05 0.00 0.00 55.36 54.85 2kgg s GLN 20 Cb -0.09 -2.85 0.01 0.00 1.10 0.00 0.00 33.01 31.18 2kgg s GLN 20 CO 0.00 0.66 0.67 0.00 -0.55 0.00 0.00 175.29 176.07 2kgg n ASP 22 N 6.17 3.01 0.03 0.00 9.92 -1.23 -2.65 116.55 131.79 2kgg n ASP 22 Ca -0.00 -2.41 0.11 0.00 -0.53 0.00 0.00 54.79 51.96 2kgg n ASP 22 Cb 0.48 -0.59 -0.11 0.00 -0.64 0.00 0.00 41.12 40.27 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 0.07 -1.16 0.00 0.44 0.00 -1.26 -4.96 105.19 98.32 2kgg n GLY 23 Ca 0.15 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 1.24 0.34 0.08 -0.02 0.00 -1.24 -4.98 105.19 100.62 2kgg n GLY 24 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.04 -5.41 -4.94 0.00 9.92 -1.08 -4.97 116.55 107.02 2kgg n ASP 26 Ca -0.16 0.50 -0.25 0.00 -0.53 0.00 0.00 54.79 54.35 2kgg n ASP 26 Cb 1.03 -4.75 0.03 0.00 -0.64 0.00 0.00 41.12 36.79 2kgg n ASP 26 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kgg s GLU 27 N -3.70 2.91 -0.19 -1.24 2.02 -1.26 -4.79 118.70 112.45 2kgg s GLU 27 Ca 0.00 -0.28 -0.06 0.00 0.02 0.00 0.00 54.97 54.65 2kgg s GLU 27 Cb 0.00 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 2kgg s GLU 27 CO 0.00 -0.55 0.03 -1.58 0.02 0.00 0.00 175.26 173.18 2kgg s TRP 28 N -2.81 3.13 0.21 1.61 0.52 -1.26 -2.45 118.94 117.89 2kgg s TRP 28 Ca 0.52 -0.19 0.11 0.00 0.02 0.00 0.00 56.10 56.56 2kgg s TRP 28 Cb -0.10 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 2kgg s TRP 28 CO 0.42 -0.05 -0.20 -0.06 0.02 0.00 0.00 176.95 177.08 2kgg s PHE 29 N 0.70 2.37 0.01 -1.98 0.40 0.10 -2.36 117.98 117.21 2kgg s PHE 29 Ca 0.01 -0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 55.86 2kgg s PHE 29 Cb -0.14 -1.14 -0.06 0.00 0.51 0.00 0.00 43.02 42.20 2kgg s PHE 29 CO 0.02 0.55 0.45 -1.01 0.70 0.00 0.00 175.22 175.93 2kgg s HIS 30 N -1.87 3.73 0.13 0.36 3.76 0.21 -0.96 115.29 120.64 2kgg s HIS 30 Ca 0.24 1.05 -0.23 0.00 -0.15 0.00 0.00 55.06 55.97 2kgg s HIS 30 Cb -0.07 -2.36 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 2kgg s HIS 30 CO 0.12 0.59 1.67 1.96 -0.85 0.00 0.00 174.74 178.23 2kgg h GLN 31 N 4.85 -0.19 -0.47 1.40 4.20 -1.70 -0.47 115.11 122.74 2kgg h GLN 31 Ca -0.50 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.13 2kgg h GLN 31 Cb 1.21 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 2kgg h GLN 31 CO 0.63 -0.13 -0.09 -0.24 -0.67 0.00 0.00 178.83 178.34 2kgg h VAL 32 N -0.19 1.26 0.00 -0.54 3.04 -1.90 0.62 116.25 118.54 2kgg h VAL 32 Ca 0.08 -1.16 -0.08 0.00 -1.01 0.00 0.00 66.70 64.53 2kgg h VAL 32 Cb 0.31 0.99 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 2kgg h VAL 32 CO -0.21 0.40 -0.36 0.00 -1.01 0.00 0.00 177.57 176.39 2kgg n VAL 34 N -3.41 1.39 -3.22 0.00 3.14 -0.22 -4.34 118.33 111.68 2kgg n VAL 34 Ca 0.00 -1.31 -0.19 0.00 -2.96 0.00 0.00 64.34 59.89 2kgg n VAL 34 Cb 0.55 0.26 0.05 0.00 -1.06 0.00 0.00 33.84 33.63 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 -0.04 -0.25 3.89 7.55 0.00 0.01 -5.02 105.19 111.32 2kgg n GLY 35 Ca 0.13 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.19 5.19 0.12 1.61 1.01 0.20 -4.99 120.40 120.35 2kgg s VAL 36 Ca 0.40 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 2kgg s VAL 36 Cb -0.18 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2kgg s VAL 36 CO 0.49 0.20 0.30 -0.94 0.00 0.00 0.00 175.10 175.15 2kgg s SER 37 N -2.05 6.40 0.50 3.32 1.04 -1.26 -4.23 113.70 117.42 2kgg s SER 37 Ca 0.35 0.37 0.22 0.00 0.48 0.00 0.00 55.95 57.37 2kgg s SER 37 Cb -0.13 -2.00 1.28 0.00 0.10 0.00 0.00 66.02 65.28 2kgg s SER 37 CO 0.21 0.08 1.97 1.55 0.98 0.00 0.00 173.24 178.03 2kgg h PRO 38 N 2.69 0.14 -0.10 4.02 0.13 -1.99 0.10 132.00 136.99 2kgg h PRO 38 Ca -0.46 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 2kgg h PRO 38 Cb 1.17 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2kgg h PRO 38 CO 0.73 0.09 -0.44 0.93 -0.23 0.00 0.00 178.00 179.08 2kgg h GLU 39 N 0.14 0.24 -0.31 0.86 5.08 -2.01 -3.19 114.58 115.39 2kgg h GLU 39 Ca 0.30 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 2kgg h GLU 39 Cb 0.99 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2kgg h GLU 39 CO -0.04 0.64 -0.22 1.98 -1.00 0.00 0.00 179.01 180.36 2kgg h MET 40 N 0.19 0.70 -0.94 2.33 4.05 -1.17 -1.55 114.93 118.54 2kgg h MET 40 Ca 0.01 -0.34 0.11 0.00 -0.28 0.00 0.00 59.70 59.20 2kgg h MET 40 Cb 0.86 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.59 2kgg h MET 40 CO 0.07 0.94 0.60 0.00 0.23 0.00 0.00 176.91 178.75 2kgg h ALA 41 N 0.74 1.59 0.03 0.39 0.00 -1.50 -0.73 119.26 119.79 2kgg h ALA 41 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 2kgg h ALA 41 Cb 0.78 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2kgg h ALA 41 CO 0.06 0.20 -1.71 0.39 0.00 0.00 0.00 179.25 178.19 2kgg n GLU 42 N -4.56 0.62 -0.03 0.00 1.02 -1.21 -4.62 120.64 111.86 2kgg n GLU 42 Ca 0.17 0.43 -0.11 0.00 -0.02 0.00 0.00 57.16 57.62 2kgg n GLU 42 Cb 0.32 -1.69 0.02 0.00 -0.02 0.00 0.00 31.44 30.08 2kgg n GLU 42 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2kgg h ASN 43 N -0.68 0.75 -3.21 1.62 2.35 -1.22 -3.47 115.58 111.73 2kgg h ASN 43 Ca -0.44 -0.40 -0.45 0.00 -0.55 0.00 0.00 56.30 54.47 2kgg h ASN 43 Cb 1.57 -0.21 -0.14 0.00 0.05 0.00 0.00 38.32 39.58 2kgg h ASN 43 CO -0.17 1.14 -0.72 -1.61 -1.65 0.00 0.00 177.43 174.42 2kgg s GLU 44 N -4.06 1.35 -0.32 0.81 2.02 -0.29 -5.06 118.70 113.16 2kgg s GLU 44 Ca -0.09 -1.61 -0.29 0.00 0.02 0.00 0.00 54.97 53.00 2kgg s GLU 44 Cb 0.11 -1.10 0.01 0.00 0.10 0.00 0.00 34.13 33.25 2kgg s GLU 44 CO 0.86 0.16 1.18 -0.51 0.02 0.00 0.00 175.26 176.97 2kgg s ASP 45 N -3.33 6.80 -0.17 -0.19 1.01 -1.26 -4.59 116.67 114.94 2kgg s ASP 45 Ca 0.23 1.10 -0.29 0.00 0.71 0.00 0.00 52.55 54.30 2kgg s ASP 45 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 2kgg s ASP 45 CO 0.07 -0.99 1.41 -0.47 0.21 0.00 0.00 175.17 175.40 2kgg s TYR 46 N 4.01 2.52 -0.06 4.23 5.04 -1.26 -5.02 117.35 126.81 2kgg s TYR 46 Ca 0.51 0.74 0.03 0.00 -2.44 0.00 0.00 57.07 55.90 2kgg s TYR 46 Cb -0.14 -3.73 -0.03 0.00 0.35 0.00 0.00 41.96 38.41 2kgg s TYR 46 CO 0.20 -2.35 -0.13 0.42 -1.34 0.00 0.00 175.55 172.35 2kgg s ILE 47 N 4.02 3.20 0.62 3.14 -1.09 -1.26 -3.57 121.20 126.26 2kgg s ILE 47 Ca 0.61 -0.67 0.07 0.00 -2.23 0.00 0.00 60.65 58.44 2kgg s ILE 47 Cb -0.24 -2.27 0.10 0.00 -1.58 0.00 0.00 42.46 38.47 2kgg s ILE 47 CO 0.21 0.59 0.85 0.00 -1.23 0.00 0.00 174.94 175.36 2kgg h ILE 49 N -0.03 1.02 0.00 0.00 2.10 -2.00 0.14 117.51 118.74 2kgg h ILE 49 Ca -0.31 -0.30 -0.19 0.00 1.08 0.00 0.00 64.86 65.13 2kgg h ILE 49 Cb 1.28 0.05 -0.03 0.00 -1.09 0.00 0.00 36.82 37.03 2kgg h ILE 49 CO 0.40 0.16 -1.06 0.78 -1.08 0.00 0.00 178.15 177.35 2kgg h ASN 50 N 0.89 0.00 1.28 2.19 4.21 -2.04 -3.16 115.58 118.95 2kgg h ASN 50 Ca 0.37 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.79 2kgg h ASN 50 Cb 0.29 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 2kgg h ASN 50 CO -0.14 0.81 -0.43 0.00 -1.29 0.00 0.00 177.43 176.38