#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 0.88 0.25 2.46 1.01 -1.26 -5.08 120.40 118.66 2kgg s VAL 2 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 2kgg s VAL 2 Cb 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 36.38 35.69 2kgg s VAL 2 CO 0.00 0.23 0.34 0.00 0.00 0.00 0.00 175.10 175.67 2kgg s ALA 4 N -3.43 3.57 -0.27 0.00 0.00 -0.70 -4.97 121.76 115.96 2kgg s ALA 4 Ca 0.21 -0.80 -0.26 0.00 0.00 0.00 0.00 51.96 51.11 2kgg s ALA 4 Cb -0.01 -2.53 0.15 0.00 0.00 0.00 0.00 23.12 20.73 2kgg s ALA 4 CO 0.14 -0.39 1.19 0.00 0.00 0.00 0.00 175.76 176.70 2kgg s ALA 5 N 1.49 -2.06 0.57 0.00 0.00 -1.26 -4.22 121.76 116.27 2kgg s ALA 5 Ca 0.12 1.78 0.33 0.00 0.00 0.00 0.00 51.96 54.20 2kgg s ALA 5 Cb -0.15 -1.48 1.46 0.00 0.00 0.00 0.00 23.12 22.94 2kgg s ALA 5 CO 0.08 -0.20 1.76 0.37 0.00 0.00 0.00 175.76 177.77 2kgg h GLN 6 N 3.54 0.00 -1.63 0.00 4.15 -1.96 -3.33 115.11 115.88 2kgg h GLN 6 Ca -0.26 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.04 2kgg h GLN 6 Cb 1.18 0.00 -0.27 0.00 0.21 0.00 0.00 27.48 28.60 2kgg h GLN 6 CO 0.16 0.00 -0.47 1.21 -1.93 0.00 0.00 178.83 177.80 2kgg s ASN 7 N -4.94 -0.04 -0.24 -0.69 2.47 -1.26 -5.13 114.94 105.10 2kgg s ASN 7 Ca -0.04 0.01 -0.10 0.00 0.42 0.00 0.00 52.86 53.15 2kgg s ASN 7 Cb 0.20 1.31 -0.05 0.00 -1.45 0.00 0.00 41.25 41.26 2kgg s ASN 7 CO 0.69 -0.32 0.14 0.00 -3.72 0.00 0.00 177.10 173.89 2kgg n GLN 9 N 4.47 0.21 -3.99 0.00 6.02 -1.26 -4.93 117.38 117.89 2kgg n GLN 9 Ca -0.15 0.08 -0.27 0.00 -0.01 0.00 0.00 57.00 56.65 2kgg n GLN 9 Cb 0.52 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 2kgg n GLN 9 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2kgg n ARG 10 N -1.37 -3.24 -2.63 -1.09 0.63 -1.26 -4.95 116.66 102.75 2kgg n ARG 10 Ca 0.09 0.39 -0.39 0.00 -0.92 0.00 0.00 57.85 57.02 2kgg n ARG 10 Cb 0.22 -4.57 -0.05 0.00 0.45 0.00 0.00 32.46 28.50 2kgg n ARG 10 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2kgg s PRO 11 N -6.62 4.64 -0.12 -0.14 0.02 -1.26 -5.04 135.00 126.48 2kgg s PRO 11 Ca 0.09 1.57 -0.02 0.00 0.02 0.00 0.00 61.00 62.66 2kgg s PRO 11 Cb -0.05 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.45 2kgg s PRO 11 CO 0.90 0.28 0.00 0.00 -0.33 0.00 0.00 177.00 177.85 2kgg s LYS 13 N 1.90 0.61 0.00 0.00 1.02 -1.26 -5.01 119.74 117.00 2kgg s LYS 13 Ca 0.03 -1.15 0.31 0.00 0.02 0.00 0.00 55.97 55.18 2kgg s LYS 13 Cb -0.14 0.11 1.59 0.00 -0.52 0.00 0.00 37.83 38.87 2kgg s LYS 13 CO -0.07 -0.08 2.07 -0.25 -0.92 0.00 0.00 175.35 176.10 2kgg n ASP 14 N 0.32 0.17 -3.70 2.83 8.00 -1.26 -4.26 116.55 118.64 2kgg n ASP 14 Ca -0.15 -0.63 -0.29 0.00 0.71 0.00 0.00 54.79 54.43 2kgg n ASP 14 Cb 0.60 -0.12 -0.12 0.00 -0.02 0.00 0.00 41.12 41.46 2kgg n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kgg s LYS 15 N -2.30 1.54 -0.30 -1.24 1.02 -1.26 -5.02 119.74 112.18 2kgg s LYS 15 Ca 0.37 -2.39 -0.16 0.00 0.02 0.00 0.00 55.97 53.81 2kgg s LYS 15 Cb 0.21 -2.47 0.18 0.00 -0.52 0.00 0.00 37.83 35.23 2kgg s LYS 15 CO 0.42 -1.24 1.14 0.54 -0.92 0.00 0.00 175.35 175.29 2kgg s VAL 16 N -0.19 -0.21 0.71 3.17 0.11 -1.26 -5.14 120.40 117.59 2kgg s VAL 16 Ca 0.22 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.16 2kgg s VAL 16 Cb -0.14 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 2kgg s VAL 16 CO -0.08 0.00 1.07 -1.81 -3.33 0.00 0.00 175.10 170.95 2kgg s ASP 17 N 2.87 5.12 0.21 3.54 1.01 -1.26 -4.98 116.67 123.18 2kgg s ASP 17 Ca -0.04 1.72 0.08 0.00 0.71 0.00 0.00 52.55 55.02 2kgg s ASP 17 Cb -0.09 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 2kgg s ASP 17 CO -0.10 -1.62 -0.16 0.26 0.21 0.00 0.00 175.17 173.77 2kgg s TRP 18 N -2.91 1.80 -0.03 4.23 0.52 -1.26 -4.28 118.94 117.01 2kgg s TRP 18 Ca 0.60 -0.53 0.04 0.00 0.02 0.00 0.00 56.10 56.23 2kgg s TRP 18 Cb -0.15 -0.83 -0.00 0.00 -1.15 0.00 0.00 33.47 31.33 2kgg s TRP 18 CO 0.53 0.40 -0.13 0.14 0.02 0.00 0.00 176.95 177.91 2kgg s VAL 19 N -2.79 1.10 -0.11 4.03 -7.23 -0.75 -4.98 120.40 109.67 2kgg s VAL 19 Ca 0.23 -0.55 -0.06 0.00 -1.81 0.00 0.00 61.98 59.79 2kgg s VAL 19 Cb -0.02 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 2kgg s VAL 19 CO 0.08 0.32 0.11 -1.58 -0.31 0.00 0.00 175.10 173.72 2kgg s GLN 20 N 0.03 3.36 -0.59 4.82 0.74 -1.26 -0.24 119.66 126.52 2kgg s GLN 20 Ca -0.02 -0.19 -0.23 0.00 0.05 0.00 0.00 55.36 54.97 2kgg s GLN 20 Cb -0.09 -3.11 0.06 0.00 1.10 0.00 0.00 33.01 30.96 2kgg s GLN 20 CO 0.01 0.75 0.91 0.00 -0.55 0.00 0.00 175.29 176.41 2kgg n ASP 22 N 7.42 1.65 0.02 0.00 9.92 -1.00 -2.51 116.55 132.05 2kgg n ASP 22 Ca -0.02 -2.09 0.11 0.00 -0.53 0.00 0.00 54.79 52.27 2kgg n ASP 22 Cb 0.46 -0.52 0.05 0.00 -0.64 0.00 0.00 41.12 40.47 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 0.10 -1.18 0.00 0.44 0.00 -1.26 -4.94 105.19 98.35 2kgg n GLY 23 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.42 0.41 0.08 -0.02 0.00 -1.22 -4.95 105.19 100.91 2kgg n GLY 24 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.05 -5.51 -4.92 0.00 9.92 -1.04 -4.99 116.55 106.96 2kgg n ASP 26 Ca -0.18 0.37 -0.26 0.00 -0.53 0.00 0.00 54.79 54.18 2kgg n ASP 26 Cb 1.06 -4.72 0.01 0.00 -0.64 0.00 0.00 41.12 36.82 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 -4.04 3.36 -0.17 -1.24 2.02 -1.26 -4.81 118.70 112.56 2kgg s GLU 27 Ca 0.00 0.01 -0.04 0.00 0.02 0.00 0.00 54.97 54.96 2kgg s GLU 27 Cb 0.00 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 2kgg s GLU 27 CO 0.00 -0.26 -0.02 -1.58 0.02 0.00 0.00 175.26 173.41 2kgg s TRP 28 N -2.72 3.03 0.28 1.61 0.52 -1.26 -1.91 118.94 118.49 2kgg s TRP 28 Ca 0.48 -0.37 0.11 0.00 0.02 0.00 0.00 56.10 56.34 2kgg s TRP 28 Cb -0.10 -2.00 -0.05 0.00 -1.15 0.00 0.00 33.47 30.16 2kgg s TRP 28 CO 0.43 -0.12 -0.16 -0.06 0.02 0.00 0.00 176.95 177.07 2kgg s PHE 29 N 0.61 2.37 -0.09 -1.98 0.40 0.67 -1.72 117.98 118.24 2kgg s PHE 29 Ca -0.02 -0.31 -0.14 0.00 -0.60 0.00 0.00 56.93 55.85 2kgg s PHE 29 Cb -0.14 -1.04 -0.05 0.00 0.51 0.00 0.00 43.02 42.30 2kgg s PHE 29 CO 0.02 0.70 0.35 -1.01 0.70 0.00 0.00 175.22 175.98 2kgg s HIS 30 N -2.48 3.58 0.33 0.36 3.76 0.13 -1.81 115.29 119.17 2kgg s HIS 30 Ca 0.30 0.78 0.06 0.00 -0.15 0.00 0.00 55.06 56.06 2kgg s HIS 30 Cb -0.05 -2.32 0.72 0.00 1.11 0.00 0.00 32.58 32.04 2kgg s HIS 30 CO 0.16 0.43 1.86 1.96 -0.85 0.00 0.00 174.74 178.29 2kgg h GLN 31 N 5.79 0.78 0.06 1.40 4.20 -1.70 -0.11 115.11 125.54 2kgg h GLN 31 Ca -0.46 -0.05 -0.23 0.00 0.06 0.00 0.00 58.65 57.97 2kgg h GLN 31 Cb 1.19 -0.18 0.02 0.00 0.30 0.00 0.00 27.48 28.82 2kgg h GLN 31 CO 0.69 0.52 -0.93 -0.24 -0.67 0.00 0.00 178.83 178.20 2kgg h VAL 32 N 0.81 1.37 -0.03 -0.54 3.04 -1.89 0.68 116.25 119.69 2kgg h VAL 32 Ca 0.47 -2.30 -0.13 0.00 -1.01 0.00 0.00 66.70 63.73 2kgg h VAL 32 Cb 0.63 2.68 -0.02 0.00 -2.01 0.00 0.00 31.29 32.58 2kgg h VAL 32 CO -0.23 0.68 -0.59 0.00 -1.01 0.00 0.00 177.57 176.43 2kgg n VAL 34 N -3.86 1.14 -3.31 0.00 3.14 -0.11 -4.55 118.33 110.78 2kgg n VAL 34 Ca -0.02 -1.05 -0.17 0.00 -2.96 0.00 0.00 64.34 60.14 2kgg n VAL 34 Cb 0.59 0.43 0.06 0.00 -1.06 0.00 0.00 33.84 33.87 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 1.16 -1.15 3.69 7.55 0.00 -0.97 -5.04 105.19 110.45 2kgg n GLY 35 Ca 0.20 0.57 -0.32 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.39 4.15 0.19 1.61 1.01 0.24 -5.02 120.40 119.18 2kgg s VAL 36 Ca 0.45 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.73 2kgg s VAL 36 Cb -0.08 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2kgg s VAL 36 CO 0.76 0.28 0.33 -0.94 0.00 0.00 0.00 175.10 175.53 2kgg s SER 37 N -1.84 6.34 0.58 3.32 1.04 -1.26 -4.53 113.70 117.35 2kgg s SER 37 Ca 0.22 0.19 0.28 0.00 0.48 0.00 0.00 55.95 57.12 2kgg s SER 37 Cb -0.12 -1.92 1.70 0.00 0.10 0.00 0.00 66.02 65.79 2kgg s SER 37 CO 0.13 -0.00 2.18 1.55 0.98 0.00 0.00 173.24 178.08 2kgg h PRO 38 N 1.83 0.00 -0.13 4.02 0.13 -2.00 -1.56 132.00 134.29 2kgg h PRO 38 Ca -0.49 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 2kgg h PRO 38 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kgg h PRO 38 CO 0.66 0.00 -0.56 1.49 -0.23 0.00 0.00 178.00 179.36 2kgg h GLU 39 N 0.00 0.39 -0.01 0.86 4.81 -2.00 -3.00 114.58 115.63 2kgg h GLU 39 Ca 0.04 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 2kgg h GLU 39 Cb 0.23 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2kgg h GLU 39 CO -0.00 0.85 -0.25 1.98 -0.73 0.00 0.00 179.01 180.86 2kgg h MET 40 N 0.30 0.19 -0.52 1.92 4.05 -1.67 -3.10 114.93 116.10 2kgg h MET 40 Ca 0.00 -0.19 0.02 0.00 -0.28 0.00 0.00 59.70 59.26 2kgg h MET 40 Cb 1.07 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.89 2kgg h MET 40 CO 0.10 0.90 0.31 0.00 0.23 0.00 0.00 176.91 178.44 2kgg h ALA 41 N 0.30 0.67 0.00 0.39 0.00 -1.51 0.33 119.26 119.43 2kgg h ALA 41 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kgg h ALA 41 Cb 0.98 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kgg h ALA 41 CO 0.05 0.02 0.00 0.93 0.00 0.00 0.00 179.25 180.25 2kgg h GLU 42 N 0.62 0.00 0.00 0.00 5.08 -1.66 -3.39 114.58 115.23 2kgg h GLU 42 Ca 0.21 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2kgg h GLU 42 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2kgg h GLU 42 CO -0.10 0.00 -1.25 0.09 -1.00 0.00 0.00 179.01 176.76 2kgg n ASN 43 N -2.89 4.06 -4.33 1.42 3.02 -0.94 -5.09 115.26 110.50 2kgg n ASN 43 Ca 0.04 -0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.42 2kgg n ASN 43 Cb 0.49 0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 40.08 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 -2.09 1.36 -0.23 3.52 2.02 0.11 -5.07 118.70 118.32 2kgg s GLU 44 Ca -0.02 -1.70 -0.29 0.00 0.02 0.00 0.00 54.97 52.98 2kgg s GLU 44 Cb 0.01 -0.58 -0.01 0.00 0.10 0.00 0.00 34.13 33.65 2kgg s GLU 44 CO 0.14 -0.13 1.27 -0.51 0.02 0.00 0.00 175.26 176.06 2kgg s ASP 45 N -3.31 6.82 -0.22 -0.19 1.11 -1.26 -4.59 116.67 115.03 2kgg s ASP 45 Ca 0.30 1.44 -0.29 0.00 0.18 0.00 0.00 52.55 54.18 2kgg s ASP 45 Cb 0.06 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.50 2kgg s ASP 45 CO 0.10 -0.91 1.37 -0.47 1.18 0.00 0.00 175.17 176.44 2kgg s TYR 46 N 3.90 2.59 0.05 4.23 5.04 -1.26 -5.00 117.35 126.89 2kgg s TYR 46 Ca 0.55 0.81 0.03 0.00 -2.44 0.00 0.00 57.07 56.02 2kgg s TYR 46 Cb -0.19 -3.78 -0.04 0.00 0.35 0.00 0.00 41.96 38.30 2kgg s TYR 46 CO 0.18 -2.08 0.03 0.42 -1.34 0.00 0.00 175.55 172.77 2kgg s ILE 47 N 4.19 4.29 0.52 3.14 -1.09 -1.26 -2.38 121.20 128.61 2kgg s ILE 47 Ca 0.60 -0.75 0.05 0.00 -2.23 0.00 0.00 60.65 58.31 2kgg s ILE 47 Cb -0.21 -3.01 0.02 0.00 -1.58 0.00 0.00 42.46 37.68 2kgg s ILE 47 CO 0.22 0.22 0.32 0.00 -1.23 0.00 0.00 174.94 174.46 2kgg h ILE 49 N 0.91 0.93 0.00 0.00 2.10 -2.00 0.21 117.51 119.67 2kgg h ILE 49 Ca -0.39 -0.32 -0.20 0.00 1.08 0.00 0.00 64.86 65.04 2kgg h ILE 49 Cb 1.30 -0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 36.95 2kgg h ILE 49 CO 0.61 0.17 -0.88 0.78 -1.08 0.00 0.00 178.15 177.74 2kgg h ASN 50 N 0.92 0.26 1.06 2.19 4.21 -2.04 -2.90 115.58 119.27 2kgg h ASN 50 Ca 0.44 -0.21 -0.08 0.00 1.21 0.00 0.00 56.30 57.66 2kgg h ASN 50 Cb 0.39 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 2kgg h ASN 50 CO -0.25 1.01 -0.39 0.00 -1.29 0.00 0.00 177.43 176.52