#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 1.64 0.26 -3.33 1.01 -1.26 -4.98 120.40 113.74 2kgg s VAL 2 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2kgg s VAL 2 Cb 0.00 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 35.03 2kgg s VAL 2 CO 0.00 0.47 0.36 0.00 0.00 0.00 0.00 175.10 175.92 2kgg s ALA 4 N -2.85 3.57 -0.29 0.00 0.00 -0.51 -4.94 121.76 116.74 2kgg s ALA 4 Ca 0.24 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 51.19 2kgg s ALA 4 Cb -0.01 -2.79 0.18 0.00 0.00 0.00 0.00 23.12 20.50 2kgg s ALA 4 CO 0.16 -0.72 1.39 0.00 0.00 0.00 0.00 175.76 176.59 2kgg s ALA 5 N 2.17 -2.18 0.26 0.00 0.00 -1.26 -4.11 121.76 116.64 2kgg s ALA 5 Ca 0.17 1.73 -0.02 0.00 0.00 0.00 0.00 51.96 53.84 2kgg s ALA 5 Cb -0.16 -1.68 0.56 0.00 0.00 0.00 0.00 23.12 21.85 2kgg s ALA 5 CO 0.10 -0.14 1.67 1.96 0.00 0.00 0.00 175.76 179.35 2kgg h GLN 6 N 2.98 0.26 -3.31 0.00 4.20 -1.95 -3.26 115.11 114.03 2kgg h GLN 6 Ca -0.23 -0.02 -0.60 0.00 0.06 0.00 0.00 58.65 57.86 2kgg h GLN 6 Cb 1.19 -0.06 -0.40 0.00 0.30 0.00 0.00 27.48 28.52 2kgg h GLN 6 CO 0.19 0.17 -0.75 -0.80 -0.67 0.00 0.00 178.83 176.97 2kgg s ASN 7 N -5.19 3.85 -0.22 1.46 0.01 -1.26 -5.10 114.94 108.49 2kgg s ASN 7 Ca -0.12 -2.14 -0.17 0.00 -0.71 0.00 0.00 52.86 49.72 2kgg s ASN 7 Cb 0.23 -0.96 -0.03 0.00 0.41 0.00 0.00 41.25 40.90 2kgg s ASN 7 CO 0.76 -0.34 0.44 0.00 -1.51 0.00 0.00 177.10 176.45 2kgg n GLN 9 N 4.88 0.09 -3.87 0.00 6.02 -1.26 -4.97 117.38 118.27 2kgg n GLN 9 Ca -0.07 0.07 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 2kgg n GLN 9 Cb 0.51 -1.60 0.02 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 -1.76 -5.13 -2.62 -1.09 1.74 -1.26 -4.98 116.66 101.56 2kgg n ARG 10 Ca 0.06 0.58 -0.38 0.00 -0.77 0.00 0.00 57.85 57.35 2kgg n ARG 10 Cb 0.37 -5.33 -0.05 0.00 -1.02 0.00 0.00 32.46 26.44 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 -6.45 4.46 -0.14 5.56 0.02 -1.26 -5.04 135.00 132.15 2kgg s PRO 11 Ca 0.44 1.52 -0.03 0.00 0.02 0.00 0.00 61.00 62.94 2kgg s PRO 11 Cb -0.22 -2.83 0.05 0.00 0.02 0.00 0.00 34.50 31.52 2kgg s PRO 11 CO 0.83 0.12 0.05 0.00 -0.33 0.00 0.00 177.00 177.68 2kgg s LYS 13 N 2.04 0.45 0.00 0.00 1.02 -1.26 -5.03 119.74 116.96 2kgg s LYS 13 Ca 0.02 -0.58 0.13 0.00 0.02 0.00 0.00 55.97 55.56 2kgg s LYS 13 Cb -0.15 0.18 0.65 0.00 -0.52 0.00 0.00 37.83 37.99 2kgg s LYS 13 CO -0.07 -0.10 1.30 -0.25 -0.92 0.00 0.00 175.35 175.31 2kgg n ASP 14 N 1.30 0.00 0.00 2.83 9.92 -1.26 -2.63 116.55 126.71 2kgg n ASP 14 Ca -0.22 0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 2kgg n ASP 14 Cb 0.56 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.80 2kgg n ASP 14 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2kgg n LYS 15 N -1.24 2.41 -3.51 -1.24 5.02 -1.26 -4.97 118.16 113.37 2kgg n LYS 15 Ca 0.06 -1.33 -0.42 0.00 -2.02 0.00 0.00 58.31 54.60 2kgg n LYS 15 Cb 0.09 -0.97 -0.10 0.00 -0.02 0.00 0.00 35.03 34.04 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 -0.84 4.81 0.43 -0.18 0.11 -1.08 -5.07 120.40 118.59 2kgg s VAL 16 Ca 0.00 -1.03 -0.23 0.00 -2.93 0.00 0.00 61.98 57.79 2kgg s VAL 16 Cb 0.00 -3.81 -0.09 0.00 -1.53 0.00 0.00 36.38 30.96 2kgg s VAL 16 CO 0.00 -0.43 1.07 -0.62 -3.33 0.00 0.00 175.10 171.79 2kgg s ASP 17 N 2.05 6.56 0.25 3.54 2.15 -1.26 -4.86 116.67 125.11 2kgg s ASP 17 Ca 0.03 2.07 0.09 0.00 0.43 0.00 0.00 52.55 55.17 2kgg s ASP 17 Cb -0.22 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.78 2kgg s ASP 17 CO 0.06 -0.63 0.02 0.26 -0.17 0.00 0.00 175.17 174.71 2kgg s TRP 18 N -1.69 2.76 -0.07 -5.34 0.52 -1.26 -4.20 118.94 109.66 2kgg s TRP 18 Ca 0.61 -0.20 0.04 0.00 0.02 0.00 0.00 56.10 56.57 2kgg s TRP 18 Cb -0.22 -1.24 -0.00 0.00 -1.15 0.00 0.00 33.47 30.85 2kgg s TRP 18 CO 0.28 0.59 -0.19 0.14 0.02 0.00 0.00 176.95 177.79 2kgg s VAL 19 N -2.21 1.65 -0.12 4.03 -7.23 -0.09 -4.96 120.40 111.47 2kgg s VAL 19 Ca 0.31 -0.81 -0.07 0.00 -1.81 0.00 0.00 61.98 59.60 2kgg s VAL 19 Cb -0.07 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 2kgg s VAL 19 CO 0.20 0.47 0.12 -1.58 -0.31 0.00 0.00 175.10 174.00 2kgg s GLN 20 N 0.22 3.45 -0.48 4.82 0.74 -1.26 -0.02 119.66 127.13 2kgg s GLN 20 Ca -0.10 -0.19 -0.21 0.00 0.05 0.00 0.00 55.36 54.91 2kgg s GLN 20 Cb -0.15 -3.15 0.04 0.00 1.10 0.00 0.00 33.01 30.85 2kgg s GLN 20 CO 0.05 0.71 0.73 0.00 -0.55 0.00 0.00 175.29 176.23 2kgg n ASP 22 N 6.59 2.87 0.04 0.00 9.92 -1.14 -2.53 116.55 132.31 2kgg n ASP 22 Ca -0.02 -2.41 0.12 0.00 -0.53 0.00 0.00 54.79 51.96 2kgg n ASP 22 Cb 0.47 -0.58 0.16 0.00 -0.64 0.00 0.00 41.12 40.52 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 0.11 -1.35 0.00 0.44 0.00 -1.26 -4.92 105.19 98.21 2kgg n GLY 23 Ca 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.37 0.27 0.09 -0.02 0.00 -1.23 -4.95 105.19 100.72 2kgg n GLY 24 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.92 -5.39 -4.91 0.00 8.00 -1.05 -4.98 116.55 105.30 2kgg n ASP 26 Ca -0.18 0.36 -0.27 0.00 0.71 0.00 0.00 54.79 55.41 2kgg n ASP 26 Cb 1.01 -4.17 0.01 0.00 -0.02 0.00 0.00 41.12 37.94 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 -3.19 3.35 -0.18 -1.24 2.02 -1.26 -4.79 118.70 113.41 2kgg s GLU 27 Ca 0.00 0.08 -0.05 0.00 0.02 0.00 0.00 54.97 55.01 2kgg s GLU 27 Cb 0.00 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 2kgg s GLU 27 CO 0.00 -0.31 0.01 -1.58 0.02 0.00 0.00 175.26 173.39 2kgg s TRP 28 N -2.77 3.09 0.21 1.61 0.52 -1.26 -1.80 118.94 118.53 2kgg s TRP 28 Ca 0.49 -0.25 0.11 0.00 0.02 0.00 0.00 56.10 56.47 2kgg s TRP 28 Cb -0.10 -2.04 -0.05 0.00 -1.15 0.00 0.00 33.47 30.13 2kgg s TRP 28 CO 0.44 -0.06 -0.22 -0.06 0.02 0.00 0.00 176.95 177.07 2kgg s PHE 29 N 0.61 2.33 0.04 -1.98 0.40 0.97 -1.42 117.98 118.93 2kgg s PHE 29 Ca -0.00 -0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 55.82 2kgg s PHE 29 Cb -0.14 -1.13 -0.06 0.00 0.51 0.00 0.00 43.02 42.20 2kgg s PHE 29 CO 0.02 0.54 0.49 -1.01 0.70 0.00 0.00 175.22 175.97 2kgg s HIS 30 N -1.83 3.77 0.14 0.36 3.76 0.14 -0.91 115.29 120.71 2kgg s HIS 30 Ca 0.23 1.14 -0.21 0.00 -0.15 0.00 0.00 55.06 56.07 2kgg s HIS 30 Cb -0.07 -2.40 -0.01 0.00 1.11 0.00 0.00 32.58 31.21 2kgg s HIS 30 CO 0.11 0.61 1.67 1.96 -0.85 0.00 0.00 174.74 178.25 2kgg h GLN 31 N 4.65 -0.13 -0.47 1.40 4.20 -1.67 -0.56 115.11 122.54 2kgg h GLN 31 Ca -0.50 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.08 2kgg h GLN 31 Cb 1.22 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 2kgg h GLN 31 CO 0.63 -0.08 -0.22 -0.24 -0.67 0.00 0.00 178.83 178.24 2kgg h VAL 32 N -0.13 1.27 0.00 -0.54 3.04 -1.89 0.75 116.25 118.75 2kgg h VAL 32 Ca 0.11 -1.38 -0.07 0.00 -1.01 0.00 0.00 66.70 64.35 2kgg h VAL 32 Cb 0.29 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 2kgg h VAL 32 CO -0.26 0.48 -0.32 0.00 -1.01 0.00 0.00 177.57 176.45 2kgg n VAL 34 N -3.44 1.22 -3.29 0.00 3.14 -0.24 -4.49 118.33 111.23 2kgg n VAL 34 Ca 0.00 -1.15 -0.17 0.00 -2.96 0.00 0.00 64.34 60.06 2kgg n VAL 34 Cb 0.50 0.37 0.06 0.00 -1.06 0.00 0.00 33.84 33.71 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 0.34 -0.13 3.88 7.55 0.00 0.02 -5.03 105.19 111.81 2kgg n GLY 35 Ca 0.13 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.23 5.08 0.02 1.61 1.01 0.24 -4.99 120.40 120.15 2kgg s VAL 36 Ca 0.43 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 2kgg s VAL 36 Cb -0.19 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2kgg s VAL 36 CO 0.53 0.12 0.22 -0.94 0.00 0.00 0.00 175.10 175.02 2kgg s SER 37 N -2.14 6.39 0.48 3.32 1.04 -1.26 -4.35 113.70 117.19 2kgg s SER 37 Ca 0.39 0.37 0.25 0.00 0.48 0.00 0.00 55.95 57.44 2kgg s SER 37 Cb -0.13 -2.01 1.31 0.00 0.10 0.00 0.00 66.02 65.29 2kgg s SER 37 CO 0.21 0.22 1.87 -0.65 0.98 0.00 0.00 173.24 175.87 2kgg h PRO 38 N 3.55 0.17 0.00 4.02 0.11 -1.98 0.09 132.00 137.96 2kgg h PRO 38 Ca -0.48 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 2kgg h PRO 38 Cb 1.18 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2kgg h PRO 38 CO 0.71 0.11 -0.41 0.93 -0.21 0.00 0.00 178.00 179.13 2kgg h GLU 39 N 0.18 0.00 -0.13 1.05 5.08 -2.01 -3.14 114.58 115.61 2kgg h GLU 39 Ca 0.45 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.60 2kgg h GLU 39 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2kgg h GLU 39 CO -0.09 0.41 -0.76 1.98 -1.00 0.00 0.00 179.01 179.55 2kgg h MET 40 N 0.00 0.66 -0.68 2.33 4.05 -1.34 -2.80 114.93 117.15 2kgg h MET 40 Ca -0.00 -0.54 0.06 0.00 -0.28 0.00 0.00 59.70 58.95 2kgg h MET 40 Cb 0.99 0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.85 2kgg h MET 40 CO 0.05 1.15 0.37 0.00 0.23 0.00 0.00 176.91 178.72 2kgg h ALA 41 N 0.70 0.91 0.00 0.39 0.00 -1.51 0.14 119.26 119.89 2kgg h ALA 41 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kgg h ALA 41 Cb 1.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2kgg h ALA 41 CO 0.15 0.04 -0.64 0.39 0.00 0.00 0.00 179.25 179.18 2kgg n GLU 42 N -4.80 0.14 -0.02 0.00 1.02 -1.23 -4.45 120.64 111.29 2kgg n GLU 42 Ca 0.09 0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.24 2kgg n GLU 42 Cb 0.19 -1.57 -0.05 0.00 -0.02 0.00 0.00 31.44 29.99 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 -1.76 3.40 -4.22 1.62 3.02 -1.05 -5.05 115.26 111.22 2kgg n ASN 43 Ca 0.04 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.39 2kgg n ASN 43 Cb 0.38 0.86 -0.12 0.00 -0.61 0.00 0.00 39.78 40.29 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 -2.26 0.96 -0.33 3.52 2.02 0.45 -5.06 118.70 118.00 2kgg s GLU 44 Ca -0.03 -1.09 -0.29 0.00 0.02 0.00 0.00 54.97 53.58 2kgg s GLU 44 Cb 0.03 -1.00 0.01 0.00 0.10 0.00 0.00 34.13 33.27 2kgg s GLU 44 CO 0.27 0.22 1.13 -0.51 0.02 0.00 0.00 175.26 176.39 2kgg s ASP 45 N -1.97 6.86 -0.19 -0.19 1.11 -1.26 -4.51 116.67 116.52 2kgg s ASP 45 Ca 0.03 1.04 -0.29 0.00 0.18 0.00 0.00 52.55 53.51 2kgg s ASP 45 Cb -0.09 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 2kgg s ASP 45 CO 0.03 -0.95 1.75 -0.47 1.18 0.00 0.00 175.17 176.72 2kgg s TYR 46 N 3.85 1.85 -0.07 4.23 5.04 -1.26 -5.00 117.35 125.99 2kgg s TYR 46 Ca 0.48 0.41 -0.03 0.00 -2.44 0.00 0.00 57.07 55.48 2kgg s TYR 46 Cb -0.13 -4.01 -0.04 0.00 0.35 0.00 0.00 41.96 38.13 2kgg s TYR 46 CO 0.18 -3.46 0.08 0.42 -1.34 0.00 0.00 175.55 171.43 2kgg s ILE 47 N 5.57 4.87 0.56 3.14 -1.09 -1.26 -2.87 121.20 130.12 2kgg s ILE 47 Ca 0.78 -0.13 0.07 0.00 -2.23 0.00 0.00 60.65 59.14 2kgg s ILE 47 Cb -0.28 -3.13 0.06 0.00 -1.58 0.00 0.00 42.46 37.52 2kgg s ILE 47 CO 0.32 0.53 0.53 0.00 -1.23 0.00 0.00 174.94 175.09 2kgg h ILE 49 N 0.54 0.94 0.00 0.00 2.10 -1.99 0.22 117.51 119.32 2kgg h ILE 49 Ca -0.34 -0.25 -0.14 0.00 1.08 0.00 0.00 64.86 65.21 2kgg h ILE 49 Cb 1.30 0.14 -0.02 0.00 -1.09 0.00 0.00 36.82 37.15 2kgg h ILE 49 CO 0.52 0.13 -0.66 0.78 -1.08 0.00 0.00 178.15 177.84 2kgg h ASN 50 N 0.74 0.00 1.20 2.19 4.21 -2.04 -2.89 115.58 118.99 2kgg h ASN 50 Ca 0.34 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.76 2kgg h ASN 50 Cb 0.26 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 2kgg h ASN 50 CO -0.21 0.66 -0.46 0.00 -1.29 0.00 0.00 177.43 176.13