#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 2.27 0.17 0.44 1.01 -1.26 -5.00 120.40 118.03 2kgg s VAL 2 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 2kgg s VAL 2 Cb 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.60 2kgg s VAL 2 CO 0.00 0.56 0.23 0.00 0.00 0.00 0.00 175.10 175.89 2kgg s ALA 4 N -3.00 3.58 -0.27 0.00 0.00 -0.42 -4.95 121.76 116.70 2kgg s ALA 4 Ca 0.15 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.21 2kgg s ALA 4 Cb -0.01 -2.92 0.18 0.00 0.00 0.00 0.00 23.12 20.37 2kgg s ALA 4 CO 0.10 -0.80 1.31 0.00 0.00 0.00 0.00 175.76 176.37 2kgg s ALA 5 N 2.35 -2.11 0.32 0.00 0.00 -1.26 -4.08 121.76 116.97 2kgg s ALA 5 Ca 0.22 1.79 0.09 0.00 0.00 0.00 0.00 51.96 54.05 2kgg s ALA 5 Cb -0.16 -1.47 0.88 0.00 0.00 0.00 0.00 23.12 22.37 2kgg s ALA 5 CO 0.10 -0.21 1.71 0.37 0.00 0.00 0.00 175.76 177.72 2kgg h GLN 6 N 2.58 0.47 -3.14 0.00 5.75 -1.95 -3.35 115.11 115.47 2kgg h GLN 6 Ca -0.16 -0.03 -0.45 0.00 -0.15 0.00 0.00 58.65 57.86 2kgg h GLN 6 Cb 1.19 -0.11 -0.41 0.00 1.07 0.00 0.00 27.48 29.22 2kgg h GLN 6 CO 0.21 0.31 -0.75 1.21 -2.65 0.00 0.00 178.83 177.17 2kgg s ASN 7 N -5.14 2.21 -0.29 -0.69 3.84 -1.26 -5.11 114.94 108.50 2kgg s ASN 7 Ca -0.11 -0.52 -0.08 0.00 0.21 0.00 0.00 52.86 52.36 2kgg s ASN 7 Cb 0.27 -0.26 -0.00 0.00 -0.55 0.00 0.00 41.25 40.71 2kgg s ASN 7 CO 0.79 -0.33 0.11 0.00 -2.79 0.00 0.00 177.10 174.88 2kgg n GLN 9 N 4.93 0.05 -3.70 0.00 6.02 -1.26 -4.94 117.38 118.48 2kgg n GLN 9 Ca -0.14 0.16 -0.23 0.00 -0.01 0.00 0.00 57.00 56.78 2kgg n GLN 9 Cb 0.49 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.46 -4.12 -2.76 -1.09 1.74 -1.26 -4.97 116.66 102.74 2kgg n ARG 10 Ca 0.05 0.59 -0.41 0.00 -0.77 0.00 0.00 57.85 57.31 2kgg n ARG 10 Cb 0.21 -5.02 -0.04 0.00 -1.02 0.00 0.00 32.46 26.59 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 -5.94 4.59 -0.23 5.56 0.02 -1.26 -5.03 135.00 132.71 2kgg s PRO 11 Ca 0.09 1.37 0.01 0.00 0.02 0.00 0.00 61.00 62.48 2kgg s PRO 11 Cb -0.02 -3.42 0.06 0.00 0.02 0.00 0.00 34.50 31.13 2kgg s PRO 11 CO 0.82 0.07 -0.07 0.00 -0.33 0.00 0.00 177.00 177.49 2kgg s LYS 13 N 1.38 0.55 0.00 0.00 1.02 -1.26 -5.03 119.74 116.40 2kgg s LYS 13 Ca -0.05 -1.06 0.23 0.00 0.02 0.00 0.00 55.97 55.12 2kgg s LYS 13 Cb -0.18 0.19 0.96 0.00 -0.52 0.00 0.00 37.83 38.28 2kgg s LYS 13 CO -0.06 -0.10 1.67 -0.25 -0.92 0.00 0.00 175.35 175.68 2kgg n ASP 14 N 0.47 1.28 -0.14 2.83 8.00 -1.26 -3.42 116.55 124.31 2kgg n ASP 14 Ca -0.16 -1.56 0.01 0.00 0.71 0.00 0.00 54.79 53.78 2kgg n ASP 14 Cb 0.60 -0.06 0.03 0.00 -0.02 0.00 0.00 41.12 41.67 2kgg n ASP 14 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2kgg n LYS 15 N 0.04 1.46 -3.28 -1.24 5.02 -1.26 -4.95 118.16 113.95 2kgg n LYS 15 Ca 0.17 -1.23 -0.44 0.00 -2.02 0.00 0.00 58.31 54.79 2kgg n LYS 15 Cb 0.29 -1.06 -0.07 0.00 -0.02 0.00 0.00 35.03 34.16 2kgg n LYS 15 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kgg s VAL 16 N -0.68 5.07 0.54 -0.18 0.11 -1.22 -5.05 120.40 118.99 2kgg s VAL 16 Ca 0.05 -0.80 -0.17 0.00 -2.93 0.00 0.00 61.98 58.12 2kgg s VAL 16 Cb 0.03 -4.20 -0.06 0.00 -1.53 0.00 0.00 36.38 30.61 2kgg s VAL 16 CO 0.04 -0.68 1.03 -0.62 -3.33 0.00 0.00 175.10 171.54 2kgg s ASP 17 N 2.63 6.19 0.26 3.54 2.15 -1.26 -4.92 116.67 125.26 2kgg s ASP 17 Ca 0.09 1.77 0.10 0.00 0.43 0.00 0.00 52.55 54.95 2kgg s ASP 17 Cb -0.22 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 2kgg s ASP 17 CO 0.09 -0.89 -0.07 0.26 -0.17 0.00 0.00 175.17 174.39 2kgg s TRP 18 N -2.37 2.57 -0.02 -5.34 0.52 -1.26 -4.21 118.94 108.82 2kgg s TRP 18 Ca 0.63 -0.25 0.05 0.00 0.02 0.00 0.00 56.10 56.54 2kgg s TRP 18 Cb -0.14 -1.14 -0.01 0.00 -1.15 0.00 0.00 33.47 31.03 2kgg s TRP 18 CO 0.30 0.64 -0.16 0.14 0.02 0.00 0.00 176.95 177.89 2kgg s VAL 19 N -2.33 1.29 -0.09 4.03 -7.23 -0.57 -4.96 120.40 110.53 2kgg s VAL 19 Ca 0.30 -0.68 -0.02 0.00 -1.81 0.00 0.00 61.98 59.77 2kgg s VAL 19 Cb -0.06 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.77 2kgg s VAL 19 CO 0.18 0.37 0.01 -1.58 -0.31 0.00 0.00 175.10 173.77 2kgg s GLN 20 N -0.27 3.06 -0.57 4.82 0.74 -1.26 -0.02 119.66 126.15 2kgg s GLN 20 Ca 0.04 -0.40 -0.22 0.00 0.05 0.00 0.00 55.36 54.84 2kgg s GLN 20 Cb -0.07 -2.83 0.06 0.00 1.10 0.00 0.00 33.01 31.27 2kgg s GLN 20 CO -0.00 0.68 0.83 0.00 -0.55 0.00 0.00 175.29 176.25 2kgg n ASP 22 N 7.03 2.69 -0.56 0.00 9.92 -1.24 -1.68 116.55 132.72 2kgg n ASP 22 Ca -0.03 -2.21 0.05 0.00 -0.53 0.00 0.00 54.79 52.07 2kgg n ASP 22 Cb 0.46 -0.54 0.12 0.00 -0.64 0.00 0.00 41.12 40.51 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 0.20 1.90 0.00 0.44 0.00 -1.26 -4.97 105.19 101.51 2kgg n GLY 23 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.50 3.58 0.11 -0.02 0.00 -1.24 -4.89 105.19 103.22 2kgg n GLY 24 Ca 0.10 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.37 -5.08 -4.94 0.00 9.92 -0.68 -4.99 116.55 107.42 2kgg n ASP 26 Ca -0.17 0.25 -0.25 0.00 -0.53 0.00 0.00 54.79 54.09 2kgg n ASP 26 Cb 1.04 -4.39 0.05 0.00 -0.64 0.00 0.00 41.12 37.18 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 -4.30 2.49 -0.17 -1.24 2.02 -1.26 -4.78 118.70 111.46 2kgg s GLU 27 Ca 0.00 -0.30 -0.03 0.00 0.02 0.00 0.00 54.97 54.66 2kgg s GLU 27 Cb 0.00 -2.28 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 2kgg s GLU 27 CO 0.00 -0.95 -0.05 -1.58 0.02 0.00 0.00 175.26 172.70 2kgg s TRP 28 N -3.05 2.96 0.27 1.61 0.52 -1.26 -2.48 118.94 117.50 2kgg s TRP 28 Ca 0.57 -0.57 0.12 0.00 0.02 0.00 0.00 56.10 56.24 2kgg s TRP 28 Cb -0.11 -1.99 -0.05 0.00 -1.15 0.00 0.00 33.47 30.17 2kgg s TRP 28 CO 0.43 -0.24 -0.17 -0.06 0.02 0.00 0.00 176.95 176.92 2kgg s PHE 29 N 0.76 2.36 -0.09 -1.98 0.40 0.97 -1.30 117.98 119.10 2kgg s PHE 29 Ca -0.02 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 55.88 2kgg s PHE 29 Cb -0.15 -1.04 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 2kgg s PHE 29 CO 0.02 0.68 0.28 -1.01 0.70 0.00 0.00 175.22 175.88 2kgg s HIS 30 N -2.38 3.61 0.21 0.36 3.76 0.14 -1.51 115.29 119.47 2kgg s HIS 30 Ca 0.29 0.71 -0.10 0.00 -0.15 0.00 0.00 55.06 55.81 2kgg s HIS 30 Cb -0.06 -2.18 0.28 0.00 1.11 0.00 0.00 32.58 31.73 2kgg s HIS 30 CO 0.15 0.56 1.72 1.96 -0.85 0.00 0.00 174.74 178.29 2kgg h GLN 31 N 5.37 0.31 -0.18 1.40 4.20 -1.69 -0.95 115.11 123.57 2kgg h GLN 31 Ca -0.50 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 57.98 2kgg h GLN 31 Cb 1.21 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.93 2kgg h GLN 31 CO 0.64 0.20 -0.71 -0.24 -0.67 0.00 0.00 178.83 178.06 2kgg h VAL 32 N 0.31 1.28 0.00 -0.54 3.04 -1.90 0.80 116.25 119.25 2kgg h VAL 32 Ca 0.30 -1.90 -0.09 0.00 -1.01 0.00 0.00 66.70 64.01 2kgg h VAL 32 Cb 0.42 1.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 2kgg h VAL 32 CO -0.35 0.61 -0.41 0.00 -1.01 0.00 0.00 177.57 176.40 2kgg n VAL 34 N -3.70 0.80 -3.20 0.00 3.14 -0.39 -4.36 118.33 110.62 2kgg n VAL 34 Ca -0.01 -0.90 -0.09 0.00 -2.96 0.00 0.00 64.34 60.38 2kgg n VAL 34 Cb 0.49 0.66 0.04 0.00 -1.06 0.00 0.00 33.84 33.97 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 0.76 -1.20 3.44 7.55 0.00 -0.48 -5.04 105.19 110.22 2kgg n GLY 35 Ca 0.13 0.53 -0.30 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.21 2.65 0.19 1.61 1.01 0.27 -5.00 120.40 117.91 2kgg s VAL 36 Ca 0.25 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.88 2kgg s VAL 36 Cb -0.04 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2kgg s VAL 36 CO 0.75 0.26 0.35 -0.94 0.00 0.00 0.00 175.10 175.52 2kgg s SER 37 N -1.65 6.36 0.48 3.32 1.04 -1.26 -4.39 113.70 117.60 2kgg s SER 37 Ca 0.15 0.28 0.19 0.00 0.48 0.00 0.00 55.95 57.05 2kgg s SER 37 Cb -0.10 -1.96 1.21 0.00 0.10 0.00 0.00 66.02 65.27 2kgg s SER 37 CO 0.06 -0.02 1.99 1.55 0.98 0.00 0.00 173.24 177.80 2kgg h PRO 38 N 1.93 0.19 0.00 4.02 0.13 -2.01 0.60 132.00 136.87 2kgg h PRO 38 Ca -0.49 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 2kgg h PRO 38 Cb 1.20 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2kgg h PRO 38 CO 0.67 0.13 -0.51 0.93 -0.23 0.00 0.00 178.00 178.99 2kgg h GLU 39 N 0.20 0.00 -0.12 0.86 5.08 -1.99 -3.14 114.58 115.48 2kgg h GLU 39 Ca 0.26 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2kgg h GLU 39 Cb 0.76 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2kgg h GLU 39 CO -0.05 0.51 -0.13 1.98 -1.00 0.00 0.00 179.01 180.33 2kgg h MET 40 N 0.00 0.29 -0.51 2.33 4.05 -1.24 -1.48 114.93 118.38 2kgg h MET 40 Ca -0.01 -0.16 0.02 0.00 -0.28 0.00 0.00 59.70 59.28 2kgg h MET 40 Cb 0.98 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.76 2kgg h MET 40 CO 0.07 0.71 0.31 0.00 0.23 0.00 0.00 176.91 178.22 2kgg h ALA 41 N 0.58 0.65 0.00 0.39 0.00 -1.51 0.17 119.26 119.54 2kgg h ALA 41 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kgg h ALA 41 Cb 0.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kgg h ALA 41 CO 0.03 0.02 -0.46 0.39 0.00 0.00 0.00 179.25 179.23 2kgg n GLU 42 N -4.79 0.27 -0.00 0.00 1.02 -1.19 -4.49 120.64 111.46 2kgg n GLU 42 Ca 0.03 0.11 -0.01 0.00 -0.02 0.00 0.00 57.16 57.28 2kgg n GLU 42 Cb 0.07 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 29.77 2kgg n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kgg n ASN 43 N -2.12 4.41 -4.37 1.62 3.02 -0.56 -5.09 115.26 112.17 2kgg n ASN 43 Ca 0.04 -0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.38 2kgg n ASN 43 Cb 0.43 0.29 -0.10 0.00 -0.61 0.00 0.00 39.78 39.79 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 -2.02 1.39 -0.27 3.52 2.02 0.59 -5.04 118.70 118.88 2kgg s GLU 44 Ca -0.01 -1.58 -0.29 0.00 0.02 0.00 0.00 54.97 53.12 2kgg s GLU 44 Cb 0.00 -1.33 -0.01 0.00 0.10 0.00 0.00 34.13 32.89 2kgg s GLU 44 CO 0.03 0.24 1.50 0.34 0.02 0.00 0.00 175.26 177.39 2kgg s ASP 45 N -3.16 6.45 -0.43 -0.19 2.15 -1.26 -4.51 116.67 115.72 2kgg s ASP 45 Ca 0.22 1.38 -0.29 0.00 0.43 0.00 0.00 52.55 54.30 2kgg s ASP 45 Cb -0.03 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.08 2kgg s ASP 45 CO 0.09 -1.24 1.11 -0.47 -0.17 0.00 0.00 175.17 174.49 2kgg s TYR 46 N 5.02 2.93 -0.04 -5.34 5.04 -1.26 -5.02 117.35 118.67 2kgg s TYR 46 Ca 0.66 0.85 0.03 0.00 -2.44 0.00 0.00 57.07 56.17 2kgg s TYR 46 Cb -0.21 -4.18 -0.03 0.00 0.35 0.00 0.00 41.96 37.89 2kgg s TYR 46 CO 0.28 -1.10 -0.12 0.42 -1.34 0.00 0.00 175.55 173.69 2kgg s ILE 47 N 4.17 3.28 0.59 3.14 -1.09 -1.26 -3.59 121.20 126.44 2kgg s ILE 47 Ca 0.47 -0.70 0.06 0.00 -2.23 0.00 0.00 60.65 58.24 2kgg s ILE 47 Cb -0.09 -2.33 0.08 0.00 -1.58 0.00 0.00 42.46 38.55 2kgg s ILE 47 CO 0.26 0.55 0.82 0.00 -1.23 0.00 0.00 174.94 175.34 2kgg h ILE 49 N 0.02 0.85 0.02 0.00 2.10 -2.00 0.40 117.51 118.90 2kgg h ILE 49 Ca -0.34 -0.26 -0.23 0.00 1.08 0.00 0.00 64.86 65.11 2kgg h ILE 49 Cb 1.28 0.01 -0.03 0.00 -1.09 0.00 0.00 36.82 37.00 2kgg h ILE 49 CO 0.42 0.14 -1.08 0.78 -1.08 0.00 0.00 178.15 177.33 2kgg h ASN 50 N 0.77 0.07 1.12 2.19 4.21 -2.03 -3.15 115.58 118.76 2kgg h ASN 50 Ca 0.47 -0.08 -0.15 0.00 1.21 0.00 0.00 56.30 57.75 2kgg h ASN 50 Cb 0.67 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.83 2kgg h ASN 50 CO -0.23 1.06 -0.72 0.00 -1.29 0.00 0.00 177.43 176.25