#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 5.36 0.35 2.46 1.01 -1.26 -5.08 120.40 123.24 2kgg s VAL 2 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.26 2kgg s VAL 2 Cb 0.00 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.93 2kgg s VAL 2 CO 0.00 0.38 0.47 0.00 0.00 0.00 0.00 175.10 175.96 2kgg s ALA 4 N -2.82 3.60 -0.26 0.00 0.00 -0.36 -4.89 121.76 117.05 2kgg s ALA 4 Ca 0.32 -0.52 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 2kgg s ALA 4 Cb -0.02 -2.96 0.17 0.00 0.00 0.00 0.00 23.12 20.31 2kgg s ALA 4 CO 0.21 -0.77 1.25 0.00 0.00 0.00 0.00 175.76 176.46 2kgg s ALA 5 N 2.39 -2.08 0.30 0.00 0.00 -1.26 -4.32 121.76 116.80 2kgg s ALA 5 Ca 0.24 1.77 0.06 0.00 0.00 0.00 0.00 51.96 54.03 2kgg s ALA 5 Cb -0.16 -1.36 0.81 0.00 0.00 0.00 0.00 23.12 22.41 2kgg s ALA 5 CO 0.09 -0.23 1.71 0.37 0.00 0.00 0.00 175.76 177.70 2kgg h GLN 6 N 2.59 0.45 -2.95 0.00 4.15 -1.95 -3.31 115.11 114.09 2kgg h GLN 6 Ca -0.16 -0.03 -0.55 0.00 0.77 0.00 0.00 58.65 58.68 2kgg h GLN 6 Cb 1.18 -0.10 -0.40 0.00 0.21 0.00 0.00 27.48 28.37 2kgg h GLN 6 CO 0.23 0.30 -0.78 1.21 -1.93 0.00 0.00 178.83 177.85 2kgg s ASN 7 N -5.17 3.58 -0.30 -0.69 2.47 -1.26 -5.11 114.94 108.46 2kgg s ASN 7 Ca -0.11 -1.54 -0.17 0.00 0.42 0.00 0.00 52.86 51.46 2kgg s ASN 7 Cb 0.26 -0.50 -0.02 0.00 -1.45 0.00 0.00 41.25 39.54 2kgg s ASN 7 CO 0.79 -0.41 0.45 0.00 -3.72 0.00 0.00 177.10 174.21 2kgg s GLN 9 N 2.23 2.97 -0.73 0.00 -0.21 -1.26 -5.02 119.66 117.65 2kgg s GLN 9 Ca 0.17 0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.63 2kgg s GLN 9 Cb -0.16 -2.25 0.18 0.00 1.00 0.00 0.00 33.01 31.78 2kgg s GLN 9 CO 0.11 -0.69 0.54 1.03 -2.12 0.00 0.00 175.29 174.16 2kgg s ARG 10 N -5.01 2.68 0.71 2.91 3.00 -1.26 -4.94 118.95 117.04 2kgg s ARG 10 Ca 0.54 -3.07 -0.13 0.00 0.00 0.00 0.00 55.73 53.07 2kgg s ARG 10 Cb -0.11 -3.64 0.02 0.00 0.00 0.00 0.00 34.95 31.22 2kgg s ARG 10 CO 0.46 -1.23 1.10 -2.14 0.00 0.00 0.00 175.30 173.48 2kgg s PRO 11 N -0.99 2.61 -0.04 3.54 0.02 -1.26 -5.01 135.00 133.87 2kgg s PRO 11 Ca 0.23 1.26 0.19 0.00 0.02 0.00 0.00 61.00 62.69 2kgg s PRO 11 Cb -0.12 -1.94 0.34 0.00 0.02 0.00 0.00 34.50 32.81 2kgg s PRO 11 CO -0.10 -1.38 1.15 0.00 -0.33 0.00 0.00 177.00 176.33 2kgg s LYS 13 N -0.68 3.72 -0.01 0.00 1.02 -1.26 -5.00 119.74 117.54 2kgg s LYS 13 Ca 0.28 0.10 -0.24 0.00 0.02 0.00 0.00 55.97 56.13 2kgg s LYS 13 Cb 0.31 -2.95 -0.17 0.00 -0.52 0.00 0.00 37.83 34.51 2kgg s LYS 13 CO -0.11 0.53 1.17 -0.44 -0.92 0.00 0.00 175.35 175.58 2kgg h ASP 14 N 3.46 -0.27 -1.15 2.83 5.19 -2.07 -3.38 116.42 121.05 2kgg h ASP 14 Ca -0.48 -0.24 -0.49 0.00 -0.62 0.00 0.00 57.03 55.20 2kgg h ASP 14 Cb 1.19 0.07 -0.08 0.00 0.18 0.00 0.00 39.33 40.69 2kgg h ASP 14 CO 0.68 0.14 1.20 -0.54 -3.12 0.00 0.00 179.24 177.60 2kgg s LYS 15 N -4.38 3.16 -0.31 3.56 1.02 -1.26 -4.80 119.74 116.73 2kgg s LYS 15 Ca -0.14 -0.67 -0.06 0.00 0.02 0.00 0.00 55.97 55.13 2kgg s LYS 15 Cb 0.02 -5.10 0.19 0.00 -0.52 0.00 0.00 37.83 32.42 2kgg s LYS 15 CO 0.55 -2.62 0.91 0.54 -0.92 0.00 0.00 175.35 173.81 2kgg s VAL 16 N 6.96 -0.48 0.40 3.17 0.11 -1.26 -5.13 120.40 124.18 2kgg s VAL 16 Ca 0.54 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.33 2kgg s VAL 16 Cb -0.04 -0.40 -0.09 0.00 -1.53 0.00 0.00 36.38 34.33 2kgg s VAL 16 CO -0.03 0.00 1.28 -1.81 -3.33 0.00 0.00 175.10 171.21 2kgg s ASP 17 N 2.75 6.37 0.26 3.54 1.01 -1.26 -5.05 116.67 124.29 2kgg s ASP 17 Ca 0.21 2.61 0.08 0.00 0.71 0.00 0.00 52.55 56.16 2kgg s ASP 17 Cb -0.03 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 2kgg s ASP 17 CO -0.22 -0.81 0.11 0.26 0.21 0.00 0.00 175.17 174.73 2kgg s TRP 18 N -1.28 2.91 0.02 4.23 0.52 -1.26 -4.15 118.94 119.94 2kgg s TRP 18 Ca 0.56 -0.17 0.04 0.00 0.02 0.00 0.00 56.10 56.56 2kgg s TRP 18 Cb -0.37 -1.33 -0.02 0.00 -1.15 0.00 0.00 33.47 30.60 2kgg s TRP 18 CO 0.48 0.55 -0.13 0.14 0.02 0.00 0.00 176.95 178.00 2kgg s VAL 19 N -2.23 1.05 -0.07 4.03 -7.23 -0.34 -4.97 120.40 110.64 2kgg s VAL 19 Ca 0.33 -0.82 0.02 0.00 -1.81 0.00 0.00 61.98 59.70 2kgg s VAL 19 Cb -0.07 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 2kgg s VAL 19 CO 0.23 0.10 -0.11 -1.58 -0.31 0.00 0.00 175.10 173.43 2kgg s GLN 20 N -0.82 2.71 -0.68 4.82 0.74 -1.26 -0.16 119.66 125.01 2kgg s GLN 20 Ca 0.03 -0.64 -0.27 0.00 0.05 0.00 0.00 55.36 54.53 2kgg s GLN 20 Cb -0.07 -2.50 0.02 0.00 1.10 0.00 0.00 33.01 31.57 2kgg s GLN 20 CO 0.01 0.59 1.39 0.00 -0.55 0.00 0.00 175.29 176.73 2kgg n ASP 22 N 9.91 1.82 -0.34 0.00 -0.08 -1.10 -2.68 116.55 124.09 2kgg n ASP 22 Ca 0.08 -2.02 0.14 0.00 -1.51 0.00 0.00 54.79 51.47 2kgg n ASP 22 Cb 0.50 -0.24 0.51 0.00 2.34 0.00 0.00 41.12 44.23 2kgg n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kgg n GLY 23 N 0.98 -0.36 0.00 0.27 0.00 -1.22 -4.87 105.19 99.99 2kgg n GLY 23 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.23 1.08 3.05 -0.02 0.00 -1.19 -4.96 105.19 104.38 2kgg n GLY 24 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 3.33 0.00 -4.88 0.00 5.75 -1.22 -3.58 116.55 115.95 2kgg n ASP 26 Ca 0.07 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.55 2kgg n ASP 26 Cb 0.36 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.46 2kgg n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kgg s GLU 27 N 0.00 3.44 -0.17 0.11 2.02 -1.26 -4.83 118.70 118.02 2kgg s GLU 27 Ca 0.00 0.56 -0.06 0.00 0.02 0.00 0.00 54.97 55.49 2kgg s GLU 27 Cb 0.00 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 2kgg s GLU 27 CO 0.00 -0.57 0.02 -1.58 0.02 0.00 0.00 175.26 173.15 2kgg s TRP 28 N -3.11 3.17 0.15 1.61 0.52 -1.26 -2.81 118.94 117.21 2kgg s TRP 28 Ca 0.54 -0.06 0.11 0.00 0.02 0.00 0.00 56.10 56.71 2kgg s TRP 28 Cb -0.11 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.14 2kgg s TRP 28 CO 0.51 0.10 -0.23 -0.06 0.02 0.00 0.00 176.95 177.29 2kgg s PHE 29 N 0.33 2.37 0.12 -1.98 0.40 0.77 -1.22 117.98 118.77 2kgg s PHE 29 Ca 0.01 -0.34 -0.19 0.00 -0.60 0.00 0.00 56.93 55.81 2kgg s PHE 29 Cb -0.13 -1.24 -0.07 0.00 0.51 0.00 0.00 43.02 42.09 2kgg s PHE 29 CO 0.01 0.41 0.61 -1.01 0.70 0.00 0.00 175.22 175.94 2kgg s HIS 30 N -1.31 3.74 0.11 0.36 3.76 0.13 -1.20 115.29 120.88 2kgg s HIS 30 Ca 0.18 1.27 -0.24 0.00 -0.15 0.00 0.00 55.06 56.12 2kgg s HIS 30 Cb -0.09 -2.51 -0.08 0.00 1.11 0.00 0.00 32.58 31.00 2kgg s HIS 30 CO 0.09 0.51 1.68 1.96 -0.85 0.00 0.00 174.74 178.12 2kgg h GLN 31 N 4.11 -0.24 -0.53 1.40 4.20 -1.52 -1.50 115.11 121.04 2kgg h GLN 31 Ca -0.49 0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.13 2kgg h GLN 31 Cb 1.21 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 2kgg h GLN 31 CO 0.64 -0.16 -0.09 -0.24 -0.67 0.00 0.00 178.83 178.31 2kgg h VAL 32 N -0.24 1.27 0.00 -0.54 3.04 -1.88 0.59 116.25 118.49 2kgg h VAL 32 Ca 0.04 -1.24 -0.09 0.00 -1.01 0.00 0.00 66.70 64.40 2kgg h VAL 32 Cb 0.29 0.99 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 2kgg h VAL 32 CO -0.11 0.44 -0.41 0.00 -1.01 0.00 0.00 177.57 176.48 2kgg n VAL 34 N -3.67 0.91 -3.29 0.00 3.14 -0.57 -4.48 118.33 110.38 2kgg n VAL 34 Ca -0.01 -0.96 -0.17 0.00 -2.96 0.00 0.00 64.34 60.24 2kgg n VAL 34 Cb 0.50 0.56 0.06 0.00 -1.06 0.00 0.00 33.84 33.90 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 0.61 -0.14 3.88 7.55 0.00 0.27 -5.03 105.19 112.32 2kgg n GLY 35 Ca 0.12 0.00 -0.32 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 -3.24 4.99 0.07 1.61 1.01 0.18 -4.99 120.40 120.04 2kgg s VAL 36 Ca 0.41 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.79 2kgg s VAL 36 Cb -0.18 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2kgg s VAL 36 CO 0.53 0.01 0.20 -0.94 0.00 0.00 0.00 175.10 174.90 2kgg s SER 37 N -2.27 6.25 0.43 3.32 1.04 -1.26 -4.41 113.70 116.79 2kgg s SER 37 Ca 0.44 0.23 0.19 0.00 0.48 0.00 0.00 55.95 57.28 2kgg s SER 37 Cb -0.12 -1.90 1.12 0.00 0.10 0.00 0.00 66.02 65.23 2kgg s SER 37 CO 0.22 0.16 1.85 1.55 0.98 0.00 0.00 173.24 178.00 2kgg h PRO 38 N 3.03 0.36 0.00 4.02 0.13 -1.98 0.13 132.00 137.68 2kgg h PRO 38 Ca -0.45 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 2kgg h PRO 38 Cb 1.16 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2kgg h PRO 38 CO 0.74 0.24 -0.51 0.93 -0.23 0.00 0.00 178.00 179.17 2kgg h GLU 39 N 0.37 0.00 -0.13 0.86 5.08 -2.00 -3.08 114.58 115.68 2kgg h GLU 39 Ca 0.47 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.64 2kgg h GLU 39 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kgg h GLU 39 CO -0.17 0.51 -0.72 1.98 -1.00 0.00 0.00 179.01 179.61 2kgg h MET 40 N 0.00 0.60 -0.21 2.33 4.05 -1.12 -1.49 114.93 119.08 2kgg h MET 40 Ca -0.01 -0.47 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2kgg h MET 40 Cb 1.04 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.92 2kgg h MET 40 CO 0.07 1.09 0.14 0.00 0.23 0.00 0.00 176.91 178.44 2kgg h ALA 41 N 0.78 1.85 0.00 0.39 0.00 -1.44 0.85 119.26 121.68 2kgg h ALA 41 Ca -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2kgg h ALA 41 Cb 1.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kgg h ALA 41 CO 0.14 0.14 -1.64 0.39 0.00 0.00 0.00 179.25 178.28 2kgg n GLU 42 N -4.51 0.64 -0.04 0.00 1.02 -1.14 -4.69 120.64 111.93 2kgg n GLU 42 Ca 0.00 -0.04 -0.04 0.00 -0.02 0.00 0.00 57.16 57.06 2kgg n GLU 42 Cb 0.07 -1.65 -0.05 0.00 -0.02 0.00 0.00 31.44 29.79 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 -2.50 3.33 -4.46 1.62 3.02 -0.58 -5.07 115.26 110.63 2kgg n ASN 43 Ca -0.05 -0.02 -0.23 0.00 -0.03 0.00 0.00 54.58 54.25 2kgg n ASN 43 Cb 0.63 0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 40.06 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 -2.17 1.62 -0.35 3.52 2.02 0.26 -5.05 118.70 118.55 2kgg s GLU 44 Ca -0.07 -1.80 -0.27 0.00 0.02 0.00 0.00 54.97 52.85 2kgg s GLU 44 Cb 0.02 -1.40 0.02 0.00 0.10 0.00 0.00 34.13 32.87 2kgg s GLU 44 CO 0.25 0.13 0.98 0.34 0.02 0.00 0.00 175.26 176.97 2kgg s ASP 45 N -3.48 6.77 -0.40 -0.19 2.15 -1.26 -4.62 116.67 115.63 2kgg s ASP 45 Ca 0.30 0.75 -0.28 0.00 0.43 0.00 0.00 52.55 53.74 2kgg s ASP 45 Cb 0.02 -2.49 -0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2kgg s ASP 45 CO 0.13 -0.86 1.61 -0.47 -0.17 0.00 0.00 175.17 175.41 2kgg s TYR 46 N 3.54 2.08 0.02 -5.34 5.04 -1.26 -4.98 117.35 116.45 2kgg s TYR 46 Ca 0.41 0.64 -0.04 0.00 -2.44 0.00 0.00 57.07 55.64 2kgg s TYR 46 Cb -0.12 -4.22 -0.04 0.00 0.35 0.00 0.00 41.96 37.92 2kgg s TYR 46 CO 0.18 -2.44 0.24 0.42 -1.34 0.00 0.00 175.55 172.60 2kgg s ILE 47 N 6.36 5.35 0.55 3.14 -1.09 -1.26 -2.71 121.20 131.55 2kgg s ILE 47 Ca 0.69 -0.03 0.07 0.00 -2.23 0.00 0.00 60.65 59.15 2kgg s ILE 47 Cb -0.17 -3.57 0.05 0.00 -1.58 0.00 0.00 42.46 37.19 2kgg s ILE 47 CO 0.32 0.30 0.52 0.00 -1.23 0.00 0.00 174.94 174.84 2kgg h ILE 49 N 0.58 0.59 0.11 0.00 2.10 -1.99 0.07 117.51 118.96 2kgg h ILE 49 Ca -0.35 -0.12 -0.35 0.00 1.08 0.00 0.00 64.86 65.13 2kgg h ILE 49 Cb 1.30 0.22 -0.02 0.00 -1.09 0.00 0.00 36.82 37.22 2kgg h ILE 49 CO 0.52 0.06 -1.91 0.78 -1.08 0.00 0.00 178.15 176.52 2kgg h ASN 50 N 0.34 0.35 1.49 2.19 2.35 -2.04 -3.35 115.58 116.91 2kgg h ASN 50 Ca 0.52 -0.76 -0.07 0.00 -0.55 0.00 0.00 56.30 55.45 2kgg h ASN 50 Cb 1.42 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.66 2kgg h ASN 50 CO -0.20 1.68 -0.32 0.00 -1.65 0.00 0.00 177.43 176.95