#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 3.32 0.36 0.44 1.01 -1.26 -5.00 120.40 119.27 2kgg s VAL 2 Ca 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 2kgg s VAL 2 Cb 0.00 -2.36 0.07 0.00 0.00 0.00 0.00 36.38 34.10 2kgg s VAL 2 CO 0.00 0.57 0.49 0.00 0.00 0.00 0.00 175.10 176.16 2kgg s ALA 4 N -3.21 3.58 -0.28 0.00 0.00 -0.60 -4.93 121.76 116.32 2kgg s ALA 4 Ca 0.31 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 2kgg s ALA 4 Cb -0.01 -2.99 0.17 0.00 0.00 0.00 0.00 23.12 20.28 2kgg s ALA 4 CO 0.21 -0.86 1.31 0.00 0.00 0.00 0.00 175.76 176.42 2kgg s ALA 5 N 2.45 -2.13 0.27 0.00 0.00 -1.26 -4.18 121.76 116.91 2kgg s ALA 5 Ca 0.24 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.95 2kgg s ALA 5 Cb -0.15 -1.60 0.63 0.00 0.00 0.00 0.00 23.12 22.00 2kgg s ALA 5 CO 0.10 -0.16 1.68 1.96 0.00 0.00 0.00 175.76 179.33 2kgg h GLN 6 N 3.19 0.29 -3.03 0.00 4.20 -1.95 -3.29 115.11 114.52 2kgg h GLN 6 Ca -0.24 -0.02 -0.57 0.00 0.06 0.00 0.00 58.65 57.88 2kgg h GLN 6 Cb 1.19 -0.07 -0.40 0.00 0.30 0.00 0.00 27.48 28.51 2kgg h GLN 6 CO 0.18 0.19 -0.78 -0.80 -0.67 0.00 0.00 178.83 176.95 2kgg s ASN 7 N -5.17 3.59 -0.34 1.46 0.01 -1.26 -5.09 114.94 108.13 2kgg s ASN 7 Ca -0.12 -1.86 -0.19 0.00 -0.71 0.00 0.00 52.86 49.98 2kgg s ASN 7 Cb 0.24 -0.66 -0.01 0.00 0.41 0.00 0.00 41.25 41.24 2kgg s ASN 7 CO 0.77 -0.37 0.54 0.00 -1.51 0.00 0.00 177.10 176.53 2kgg n GLN 9 N 5.78 0.08 -3.91 0.00 6.02 -1.26 -4.93 117.38 119.16 2kgg n GLN 9 Ca -0.04 0.17 -0.28 0.00 -0.01 0.00 0.00 57.00 56.85 2kgg n GLN 9 Cb 0.49 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.44 -2.61 -2.28 -1.09 0.63 -1.26 -4.92 116.66 103.70 2kgg n ARG 10 Ca 0.06 0.39 -0.42 0.00 -0.92 0.00 0.00 57.85 56.95 2kgg n ARG 10 Cb 0.19 -4.30 -0.03 0.00 0.45 0.00 0.00 32.46 28.77 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 -6.51 4.40 -0.29 -0.14 0.02 -1.26 -5.00 135.00 126.22 2kgg s PRO 11 Ca 0.13 1.97 0.03 0.00 0.02 0.00 0.00 61.00 63.15 2kgg s PRO 11 Cb -0.05 -3.24 0.07 0.00 0.02 0.00 0.00 34.50 31.30 2kgg s PRO 11 CO 0.89 -0.26 -0.04 0.00 -0.33 0.00 0.00 177.00 177.26 2kgg s LYS 13 N 1.04 1.12 -0.14 0.00 1.02 -1.26 -5.08 119.74 116.44 2kgg s LYS 13 Ca -0.01 -1.02 -0.13 0.00 0.02 0.00 0.00 55.97 54.83 2kgg s LYS 13 Cb -0.20 0.41 -0.10 0.00 -0.52 0.00 0.00 37.83 37.42 2kgg s LYS 13 CO -0.06 -0.42 0.18 -0.44 -0.92 0.00 0.00 175.35 173.70 2kgg h ASP 14 N 2.51 0.00 -0.48 2.83 5.19 -2.06 -3.40 116.42 121.01 2kgg h ASP 14 Ca -0.32 -0.33 -0.27 0.00 -0.62 0.00 0.00 57.03 55.49 2kgg h ASP 14 Cb 1.23 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.71 2kgg h ASP 14 CO 0.48 0.84 0.82 -0.54 -3.12 0.00 0.00 179.24 177.72 2kgg s LYS 15 N -2.00 2.30 -0.30 3.56 1.02 -1.26 -4.70 119.74 118.36 2kgg s LYS 15 Ca -0.13 -0.80 -0.11 0.00 0.02 0.00 0.00 55.97 54.96 2kgg s LYS 15 Cb 0.01 -5.15 0.18 0.00 -0.52 0.00 0.00 37.83 32.35 2kgg s LYS 15 CO 0.32 -4.06 1.01 0.54 -0.92 0.00 0.00 175.35 172.24 2kgg s VAL 16 N 11.74 -0.34 0.48 3.17 0.11 -1.26 -5.17 120.40 129.13 2kgg s VAL 16 Ca 0.71 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.56 2kgg s VAL 16 Cb -0.03 -0.64 -0.08 0.00 -1.53 0.00 0.00 36.38 34.09 2kgg s VAL 16 CO 0.10 0.00 1.05 -1.81 -3.33 0.00 0.00 175.10 171.11 2kgg s ASP 17 N 2.95 6.33 0.28 3.54 1.01 -1.26 -5.00 116.67 124.51 2kgg s ASP 17 Ca 0.14 1.96 0.10 0.00 0.71 0.00 0.00 52.55 55.45 2kgg s ASP 17 Cb -0.06 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2kgg s ASP 17 CO -0.18 -0.79 -0.01 0.26 0.21 0.00 0.00 175.17 174.66 2kgg s TRP 18 N -1.94 2.66 -0.04 4.23 0.52 -1.26 -4.23 118.94 118.89 2kgg s TRP 18 Ca 0.67 -0.25 0.06 0.00 0.02 0.00 0.00 56.10 56.59 2kgg s TRP 18 Cb -0.17 -1.23 -0.01 0.00 -1.15 0.00 0.00 33.47 30.91 2kgg s TRP 18 CO 0.21 0.60 -0.21 0.14 0.02 0.00 0.00 176.95 177.71 2kgg s VAL 19 N -2.36 1.68 -0.11 4.03 -7.23 -0.30 -4.97 120.40 111.14 2kgg s VAL 19 Ca 0.32 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.57 2kgg s VAL 19 Cb -0.06 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2kgg s VAL 19 CO 0.20 0.47 0.06 -1.58 -0.31 0.00 0.00 175.10 173.95 2kgg s GLN 20 N -0.20 3.29 -0.56 4.82 0.74 -1.26 0.08 119.66 126.56 2kgg s GLN 20 Ca 0.00 -0.29 -0.21 0.00 0.05 0.00 0.00 55.36 54.91 2kgg s GLN 20 Cb -0.11 -3.00 0.06 0.00 1.10 0.00 0.00 33.01 31.06 2kgg s GLN 20 CO 0.02 0.68 0.80 0.00 -0.55 0.00 0.00 175.29 176.23 2kgg n ASP 22 N 6.90 1.82 -0.12 0.00 9.92 -1.18 -1.65 116.55 132.23 2kgg n ASP 22 Ca -0.04 -2.14 0.12 0.00 -0.53 0.00 0.00 54.79 52.19 2kgg n ASP 22 Cb 0.46 -0.53 0.17 0.00 -0.64 0.00 0.00 41.12 40.58 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 -0.87 0.00 0.44 0.00 -1.26 -4.91 105.19 98.69 2kgg n GLY 23 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 1.45 0.60 0.08 -0.02 0.00 -1.23 -4.94 105.19 101.13 2kgg n GLY 24 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.97 -5.31 -4.97 0.00 8.00 -0.66 -4.98 116.55 105.66 2kgg n ASP 26 Ca -0.19 0.19 -0.21 0.00 0.71 0.00 0.00 54.79 55.28 2kgg n ASP 26 Cb 1.05 -4.54 0.02 0.00 -0.02 0.00 0.00 41.12 37.63 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 -4.54 2.84 -0.16 -1.24 2.02 -1.26 -4.77 118.70 111.59 2kgg s GLU 27 Ca 0.00 -0.72 -0.04 0.00 0.02 0.00 0.00 54.97 54.23 2kgg s GLU 27 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.63 2kgg s GLU 27 CO 0.00 -0.42 -0.02 -1.58 0.02 0.00 0.00 175.26 173.26 2kgg s TRP 28 N -2.59 3.05 0.21 1.61 0.52 -1.26 -1.47 118.94 119.01 2kgg s TRP 28 Ca 0.52 -0.27 0.10 0.00 0.02 0.00 0.00 56.10 56.47 2kgg s TRP 28 Cb -0.10 -1.99 -0.05 0.00 -1.15 0.00 0.00 33.47 30.19 2kgg s TRP 28 CO 0.37 -0.04 -0.19 -0.06 0.02 0.00 0.00 176.95 177.05 2kgg s PHE 29 N 0.44 2.03 0.01 -1.98 0.40 0.11 -1.55 117.98 117.43 2kgg s PHE 29 Ca -0.03 -0.43 -0.13 0.00 -0.60 0.00 0.00 56.93 55.75 2kgg s PHE 29 Cb -0.14 -0.96 -0.06 0.00 0.51 0.00 0.00 43.02 42.37 2kgg s PHE 29 CO 0.02 0.47 0.39 -1.01 0.70 0.00 0.00 175.22 175.79 2kgg s HIS 30 N -2.23 3.69 0.20 0.36 3.76 0.14 -1.15 115.29 120.06 2kgg s HIS 30 Ca 0.21 0.91 -0.11 0.00 -0.15 0.00 0.00 55.06 55.93 2kgg s HIS 30 Cb -0.05 -2.23 0.17 0.00 1.11 0.00 0.00 32.58 31.57 2kgg s HIS 30 CO 0.09 0.62 1.83 1.96 -0.85 0.00 0.00 174.74 178.40 2kgg h GLN 31 N 4.49 0.72 0.01 1.40 4.20 -1.72 -0.31 115.11 123.90 2kgg h GLN 31 Ca -0.51 -0.04 -0.25 0.00 0.06 0.00 0.00 58.65 57.91 2kgg h GLN 31 Cb 1.21 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.84 2kgg h GLN 31 CO 0.62 0.48 -1.00 -0.24 -0.67 0.00 0.00 178.83 178.02 2kgg h VAL 32 N 0.75 1.34 -0.10 -0.54 3.04 -1.91 0.80 116.25 119.63 2kgg h VAL 32 Ca 0.26 -2.36 -0.13 0.00 -1.01 0.00 0.00 66.70 63.45 2kgg h VAL 32 Cb 0.05 2.42 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 2kgg h VAL 32 CO -0.11 0.72 -0.52 0.00 -1.01 0.00 0.00 177.57 176.64 2kgg n VAL 34 N -3.94 1.34 -3.24 0.00 3.14 -0.15 -4.40 118.33 111.08 2kgg n VAL 34 Ca -0.02 -1.15 -0.09 0.00 -2.96 0.00 0.00 64.34 60.11 2kgg n VAL 34 Cb 0.56 0.33 0.02 0.00 -1.06 0.00 0.00 33.84 33.70 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 0.79 -1.20 3.46 7.55 0.00 -0.81 -5.03 105.19 109.94 2kgg n GLY 35 Ca 0.19 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.16 2.72 0.10 1.61 1.01 0.27 -5.01 120.40 117.94 2kgg s VAL 36 Ca 0.18 -1.50 -0.06 0.00 0.00 0.00 0.00 61.98 60.60 2kgg s VAL 36 Cb -0.03 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 2kgg s VAL 36 CO 0.77 0.14 0.35 -0.94 0.00 0.00 0.00 175.10 175.42 2kgg s SER 37 N -2.00 6.51 0.57 3.32 1.04 -1.26 -4.44 113.70 117.43 2kgg s SER 37 Ca 0.17 0.60 0.26 0.00 0.48 0.00 0.00 55.95 57.46 2kgg s SER 37 Cb -0.10 -2.10 1.54 0.00 0.10 0.00 0.00 66.02 65.46 2kgg s SER 37 CO 0.09 0.12 2.07 1.55 0.98 0.00 0.00 173.24 178.04 2kgg h PRO 38 N 3.24 0.00 0.00 4.02 0.13 -2.00 0.36 132.00 137.75 2kgg h PRO 38 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 2kgg h PRO 38 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2kgg h PRO 38 CO 0.70 0.00 -0.64 1.49 -0.23 0.00 0.00 178.00 179.32 2kgg h GLU 39 N 0.00 0.00 -0.20 0.86 4.81 -2.01 -3.23 114.58 114.80 2kgg h GLU 39 Ca 0.13 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.16 2kgg h GLU 39 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2kgg h GLU 39 CO -0.00 0.64 -0.66 1.98 -0.73 0.00 0.00 179.01 180.24 2kgg h MET 40 N 0.00 0.76 -0.28 1.92 4.05 -1.29 -3.07 114.93 117.04 2kgg h MET 40 Ca -0.01 -0.55 0.07 0.00 -0.28 0.00 0.00 59.70 58.93 2kgg h MET 40 Cb 1.22 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 32.10 2kgg h MET 40 CO 0.08 1.17 0.19 0.00 0.23 0.00 0.00 176.91 178.59 2kgg h ALA 41 N 0.69 2.16 0.00 0.39 0.00 -1.56 0.38 119.26 121.33 2kgg h ALA 41 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kgg h ALA 41 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kgg h ALA 41 CO 0.14 -0.23 -1.01 0.39 0.00 0.00 0.00 179.25 178.54 2kgg n GLU 42 N -4.47 0.20 -0.01 0.00 1.02 -1.19 -4.68 120.64 111.51 2kgg n GLU 42 Ca 0.03 -0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.14 2kgg n GLU 42 Cb 0.30 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 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 -1.81 4.09 -4.19 1.62 3.02 -0.73 -5.08 115.26 112.18 2kgg n ASN 43 Ca 0.03 -0.01 -0.17 0.00 -0.03 0.00 0.00 54.58 54.40 2kgg n ASN 43 Cb 0.40 0.20 -0.11 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.05 0.89 0.02 3.52 2.02 0.04 -5.09 118.70 118.06 2kgg s GLU 44 Ca -0.02 -1.12 -0.30 0.00 0.02 0.00 0.00 54.97 53.54 2kgg s GLU 44 Cb 0.01 -0.74 -0.06 0.00 0.10 0.00 0.00 34.13 33.44 2kgg s GLU 44 CO 0.07 0.14 1.33 -0.51 0.02 0.00 0.00 175.26 176.31 2kgg s ASP 45 N -2.23 6.92 -0.41 -0.19 1.01 -1.26 -4.55 116.67 115.96 2kgg s ASP 45 Ca 0.04 2.09 -0.29 0.00 0.71 0.00 0.00 52.55 55.10 2kgg s ASP 45 Cb -0.06 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.32 2kgg s ASP 45 CO 0.02 -0.64 1.33 -0.47 0.21 0.00 0.00 175.17 175.61 2kgg s TYR 46 N 1.90 2.55 -0.09 4.23 5.04 -1.26 -4.99 117.35 124.72 2kgg s TYR 46 Ca 0.62 0.72 -0.14 0.00 -2.44 0.00 0.00 57.07 55.83 2kgg s TYR 46 Cb -0.31 -4.27 -0.05 0.00 0.35 0.00 0.00 41.96 37.68 2kgg s TYR 46 CO 0.27 -1.76 0.33 0.42 -1.34 0.00 0.00 175.55 173.48 2kgg s ILE 47 N 5.02 5.22 0.58 3.14 -1.09 -1.26 -3.11 121.20 129.70 2kgg s ILE 47 Ca 0.57 0.65 0.09 0.00 -2.23 0.00 0.00 60.65 59.73 2kgg s ILE 47 Cb -0.13 -3.65 0.09 0.00 -1.58 0.00 0.00 42.46 37.20 2kgg s ILE 47 CO 0.31 0.48 0.75 0.00 -1.23 0.00 0.00 174.94 175.25 2kgg h ILE 49 N 0.19 0.86 0.00 0.00 2.10 -1.98 0.19 117.51 118.87 2kgg h ILE 49 Ca -0.29 -0.24 -0.16 0.00 1.08 0.00 0.00 64.86 65.25 2kgg h ILE 49 Cb 1.27 0.08 -0.02 0.00 -1.09 0.00 0.00 36.82 37.05 2kgg h ILE 49 CO 0.42 0.13 -0.74 0.78 -1.08 0.00 0.00 178.15 177.65 2kgg h ASN 50 N 0.71 0.00 1.17 2.19 4.21 -2.04 -3.05 115.58 118.77 2kgg h ASN 50 Ca 0.40 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.80 2kgg h ASN 50 Cb 0.43 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 2kgg h ASN 50 CO -0.28 0.74 -0.53 0.00 -1.29 0.00 0.00 177.43 176.08