#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 5.40 0.50 2.46 1.01 -1.26 -5.04 120.40 123.47 2kgg s VAL 2 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 2kgg s VAL 2 Cb 0.00 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 32.99 2kgg s VAL 2 CO 0.00 0.48 0.69 0.00 0.00 0.00 0.00 175.10 176.27 2kgg s ALA 4 N -3.22 3.57 -0.25 0.00 0.00 -0.93 -4.93 121.76 116.01 2kgg s ALA 4 Ca 0.44 -0.75 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 2kgg s ALA 4 Cb -0.02 -2.80 0.17 0.00 0.00 0.00 0.00 23.12 20.47 2kgg s ALA 4 CO 0.30 -0.73 1.24 0.00 0.00 0.00 0.00 175.76 176.57 2kgg s ALA 5 N 2.18 -2.07 0.29 0.00 0.00 -1.26 -4.21 121.76 116.70 2kgg s ALA 5 Ca 0.18 1.78 0.04 0.00 0.00 0.00 0.00 51.96 53.96 2kgg s ALA 5 Cb -0.16 -1.30 0.75 0.00 0.00 0.00 0.00 23.12 22.41 2kgg s ALA 5 CO 0.10 -0.25 1.69 1.96 0.00 0.00 0.00 175.76 179.26 2kgg h GLN 6 N 2.38 0.35 -2.78 0.00 4.20 -1.96 -3.34 115.11 113.96 2kgg h GLN 6 Ca -0.14 -0.02 -0.45 0.00 0.06 0.00 0.00 58.65 58.10 2kgg h GLN 6 Cb 1.18 -0.08 -0.39 0.00 0.30 0.00 0.00 27.48 28.49 2kgg h GLN 6 CO 0.24 0.23 -0.73 1.21 -0.67 0.00 0.00 178.83 179.11 2kgg s ASN 7 N -5.15 2.56 -0.42 1.46 2.47 -1.26 -5.10 114.94 109.50 2kgg s ASN 7 Ca -0.12 -0.81 -0.17 0.00 0.42 0.00 0.00 52.86 52.19 2kgg s ASN 7 Cb 0.26 -0.10 0.02 0.00 -1.45 0.00 0.00 41.25 39.97 2kgg s ASN 7 CO 0.78 -0.38 0.41 0.00 -3.72 0.00 0.00 177.10 174.18 2kgg n GLN 9 N 5.50 0.06 -3.94 0.00 6.02 -1.26 -4.91 117.38 118.85 2kgg n GLN 9 Ca -0.08 0.26 -0.28 0.00 -0.01 0.00 0.00 57.00 56.88 2kgg n GLN 9 Cb 0.47 -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 0.54 -1.01 0.00 0.00 177.06 176.59 2kgg n ARG 10 N -1.42 -4.43 -2.56 -1.09 1.74 -1.26 -4.95 116.66 102.69 2kgg n ARG 10 Ca 0.04 0.51 -0.41 0.00 -0.77 0.00 0.00 57.85 57.22 2kgg n ARG 10 Cb 0.11 -5.13 -0.04 0.00 -1.02 0.00 0.00 32.46 26.38 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 -6.53 4.66 -0.16 5.56 0.02 -1.26 -5.03 135.00 132.25 2kgg s PRO 11 Ca 0.38 1.68 -0.01 0.00 0.02 0.00 0.00 61.00 63.07 2kgg s PRO 11 Cb -0.20 -3.27 0.04 0.00 0.02 0.00 0.00 34.50 31.10 2kgg s PRO 11 CO 0.86 0.19 -0.03 0.00 -0.33 0.00 0.00 177.00 177.69 2kgg s LYS 13 N 1.71 1.27 -0.02 0.00 1.02 -1.26 -5.08 119.74 117.38 2kgg s LYS 13 Ca 0.01 -1.22 -0.14 0.00 0.02 0.00 0.00 55.97 54.63 2kgg s LYS 13 Cb -0.15 0.40 -0.08 0.00 -0.52 0.00 0.00 37.83 37.47 2kgg s LYS 13 CO -0.07 -0.48 0.66 -0.44 -0.92 0.00 0.00 175.35 174.09 2kgg h ASP 14 N 2.46 -0.43 0.00 2.83 5.19 -2.06 -3.35 116.42 121.06 2kgg h ASP 14 Ca -0.31 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 2kgg h ASP 14 Cb 1.24 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.86 2kgg h ASP 14 CO 0.45 -0.08 0.00 0.29 -3.12 0.00 0.00 179.24 176.78 2kgg n LYS 15 N -4.64 0.28 -3.98 3.56 5.02 -1.26 -4.68 118.16 112.45 2kgg n LYS 15 Ca -0.06 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 2kgg n LYS 15 Cb 0.20 -1.36 -0.15 0.00 -0.02 0.00 0.00 35.03 33.70 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 0.73 1.78 0.42 -0.18 0.11 -1.26 -5.11 120.40 116.89 2kgg s VAL 16 Ca 0.00 -1.45 -0.23 0.00 -2.93 0.00 0.00 61.98 57.37 2kgg s VAL 16 Cb 0.00 -2.02 -0.09 0.00 -1.53 0.00 0.00 36.38 32.75 2kgg s VAL 16 CO 0.00 -0.13 1.07 -0.62 -3.33 0.00 0.00 175.10 172.09 2kgg s ASP 17 N 1.27 6.57 0.25 3.54 2.15 -1.26 -4.94 116.67 124.24 2kgg s ASP 17 Ca -0.05 2.08 0.09 0.00 0.43 0.00 0.00 52.55 55.11 2kgg s ASP 17 Cb -0.19 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 39.80 2kgg s ASP 17 CO -0.06 -0.63 -0.02 0.26 -0.17 0.00 0.00 175.17 174.55 2kgg s TRP 18 N -1.68 2.69 -0.03 -5.34 0.52 -1.26 -4.15 118.94 109.70 2kgg s TRP 18 Ca 0.60 -0.22 0.05 0.00 0.02 0.00 0.00 56.10 56.56 2kgg s TRP 18 Cb -0.23 -1.21 -0.01 0.00 -1.15 0.00 0.00 33.47 30.87 2kgg s TRP 18 CO 0.28 0.61 -0.19 0.14 0.02 0.00 0.00 176.95 177.81 2kgg s VAL 19 N -2.24 1.53 -0.10 4.03 -7.23 -0.14 -4.95 120.40 111.30 2kgg s VAL 19 Ca 0.31 -0.81 -0.03 0.00 -1.81 0.00 0.00 61.98 59.64 2kgg s VAL 19 Cb -0.07 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 2kgg s VAL 19 CO 0.19 0.44 0.02 -1.58 -0.31 0.00 0.00 175.10 173.86 2kgg s GLN 20 N -0.26 3.14 -0.49 4.82 0.74 -1.26 -0.13 119.66 126.22 2kgg s GLN 20 Ca 0.03 -0.37 -0.21 0.00 0.05 0.00 0.00 55.36 54.87 2kgg s GLN 20 Cb -0.09 -2.88 0.04 0.00 1.10 0.00 0.00 33.01 31.17 2kgg s GLN 20 CO 0.01 0.67 0.69 0.00 -0.55 0.00 0.00 175.29 176.10 2kgg n ASP 22 N 6.43 3.17 -0.17 0.00 8.00 -1.24 -2.01 116.55 130.74 2kgg n ASP 22 Ca -0.03 -2.55 0.11 0.00 0.71 0.00 0.00 54.79 53.03 2kgg n ASP 22 Cb 0.47 -0.62 0.06 0.00 -0.02 0.00 0.00 41.12 41.01 2kgg n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kgg n GLY 23 N -0.03 -0.73 0.00 0.44 0.00 -1.26 -4.92 105.19 98.69 2kgg n GLY 23 Ca 0.20 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.46 0.48 0.10 -0.02 0.00 -1.24 -4.94 105.19 101.03 2kgg n GLY 24 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.02 -5.50 -4.91 0.00 8.00 -0.85 -4.99 116.55 105.29 2kgg n ASP 26 Ca -0.27 0.49 -0.27 0.00 0.71 0.00 0.00 54.79 55.44 2kgg n ASP 26 Cb 1.08 -4.73 0.01 0.00 -0.02 0.00 0.00 41.12 37.46 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 -3.66 3.40 -0.19 -1.24 2.02 -1.26 -4.78 118.70 112.98 2kgg s GLU 27 Ca 0.00 0.18 -0.06 0.00 0.02 0.00 0.00 54.97 55.11 2kgg s GLU 27 Cb 0.00 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 2kgg s GLU 27 CO 0.00 -0.34 0.03 -1.58 0.02 0.00 0.00 175.26 173.40 2kgg s TRP 28 N -2.82 3.14 0.24 1.61 0.52 -1.26 -2.23 118.94 118.14 2kgg s TRP 28 Ca 0.49 -0.17 0.12 0.00 0.02 0.00 0.00 56.10 56.55 2kgg s TRP 28 Cb -0.10 -2.09 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 2kgg s TRP 28 CO 0.45 -0.04 -0.21 -0.06 0.02 0.00 0.00 176.95 177.10 2kgg s PHE 29 N 0.71 2.28 -0.01 -1.98 0.40 0.81 -2.18 117.98 118.01 2kgg s PHE 29 Ca 0.02 -0.35 -0.15 0.00 -0.60 0.00 0.00 56.93 55.85 2kgg s PHE 29 Cb -0.14 -1.05 -0.06 0.00 0.51 0.00 0.00 43.02 42.29 2kgg s PHE 29 CO 0.02 0.63 0.42 -1.01 0.70 0.00 0.00 175.22 175.97 2kgg s HIS 30 N -2.18 3.70 0.13 0.36 3.76 0.10 -0.97 115.29 120.19 2kgg s HIS 30 Ca 0.26 0.98 -0.27 0.00 -0.15 0.00 0.00 55.06 55.89 2kgg s HIS 30 Cb -0.06 -2.32 -0.05 0.00 1.11 0.00 0.00 32.58 31.25 2kgg s HIS 30 CO 0.13 0.58 1.62 1.96 -0.85 0.00 0.00 174.74 178.18 2kgg h GLN 31 N 4.95 -0.44 -0.45 1.40 4.20 -1.58 -0.66 115.11 122.53 2kgg h GLN 31 Ca -0.50 0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.16 2kgg h GLN 31 Cb 1.21 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 2kgg h GLN 31 CO 0.63 -0.29 -0.04 -0.24 -0.67 0.00 0.00 178.83 178.21 2kgg h VAL 32 N -0.46 1.25 0.00 -0.54 3.04 -1.88 0.69 116.25 118.35 2kgg h VAL 32 Ca 0.06 -1.06 -0.07 0.00 -1.01 0.00 0.00 66.70 64.63 2kgg h VAL 32 Cb 0.55 0.95 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 2kgg h VAL 32 CO -0.27 0.37 -0.32 0.00 -1.01 0.00 0.00 177.57 176.33 2kgg n VAL 34 N -3.38 1.32 -2.89 0.00 3.14 -0.28 -4.21 118.33 112.03 2kgg n VAL 34 Ca 0.01 -1.23 -0.16 0.00 -2.96 0.00 0.00 64.34 60.00 2kgg n VAL 34 Cb 0.53 0.31 0.03 0.00 -1.06 0.00 0.00 33.84 33.65 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 0.20 -0.14 3.88 7.55 0.00 -0.06 -5.03 105.19 111.58 2kgg n GLY 35 Ca 0.13 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.03 5.27 0.12 1.61 1.01 0.22 -4.98 120.40 120.62 2kgg s VAL 36 Ca 0.25 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2kgg s VAL 36 Cb -0.11 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2kgg s VAL 36 CO 0.31 0.39 0.28 -0.94 0.00 0.00 0.00 175.10 175.14 2kgg s SER 37 N -1.62 6.37 0.57 3.32 1.04 -1.26 -4.01 113.70 118.11 2kgg s SER 37 Ca 0.27 0.30 0.27 0.00 0.48 0.00 0.00 55.95 57.27 2kgg s SER 37 Cb -0.13 -1.97 1.59 0.00 0.10 0.00 0.00 66.02 65.60 2kgg s SER 37 CO 0.15 0.09 2.11 1.55 0.98 0.00 0.00 173.24 178.12 2kgg h PRO 38 N 2.60 0.00 0.00 4.02 0.13 -1.99 0.45 132.00 137.22 2kgg h PRO 38 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2kgg h PRO 38 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kgg h PRO 38 CO 0.72 0.00 -0.44 1.49 -0.23 0.00 0.00 178.00 179.54 2kgg h GLU 39 N 0.00 0.00 -0.05 0.86 4.81 -2.00 -3.19 114.58 115.00 2kgg h GLU 39 Ca 0.09 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 2kgg h GLU 39 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2kgg h GLU 39 CO -0.00 0.44 -0.31 1.98 -0.73 0.00 0.00 179.01 180.39 2kgg h MET 40 N 0.00 0.30 -0.40 1.92 4.05 -1.29 -3.07 114.93 116.44 2kgg h MET 40 Ca -0.00 -0.25 0.04 0.00 -0.28 0.00 0.00 59.70 59.21 2kgg h MET 40 Cb 1.09 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.90 2kgg h MET 40 CO 0.06 0.91 0.16 0.00 0.23 0.00 0.00 176.91 178.26 2kgg h ALA 41 N 0.40 0.48 0.00 0.39 0.00 -1.51 0.19 119.26 119.21 2kgg h ALA 41 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kgg h ALA 41 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2kgg h ALA 41 CO 0.06 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.48 2kgg n GLU 42 N -4.99 0.18 -0.03 0.00 1.02 -1.22 -4.40 120.64 111.20 2kgg n GLU 42 Ca 0.02 0.18 -0.03 0.00 -0.02 0.00 0.00 57.16 57.31 2kgg n GLU 42 Cb 0.13 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 29.80 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 -2.04 3.61 -4.47 1.62 3.02 -0.79 -5.10 115.26 111.11 2kgg n ASN 43 Ca 0.05 -0.03 -0.23 0.00 -0.03 0.00 0.00 54.58 54.35 2kgg n ASN 43 Cb 0.38 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.37 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 -2.10 1.64 -0.27 3.52 2.02 0.62 -5.08 118.70 119.05 2kgg s GLU 44 Ca -0.07 -1.84 -0.29 0.00 0.02 0.00 0.00 54.97 52.79 2kgg s GLU 44 Cb 0.02 -1.30 -0.01 0.00 0.10 0.00 0.00 34.13 32.94 2kgg s GLU 44 CO 0.12 0.05 1.38 -0.51 0.02 0.00 0.00 175.26 176.32 2kgg s ASP 45 N -3.50 6.61 -0.34 -0.19 1.01 -1.26 -4.61 116.67 114.40 2kgg s ASP 45 Ca 0.31 1.35 -0.29 0.00 0.71 0.00 0.00 52.55 54.63 2kgg s ASP 45 Cb 0.04 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 2kgg s ASP 45 CO 0.13 -1.11 1.54 -0.47 0.21 0.00 0.00 175.17 175.47 2kgg s TYR 46 N 4.54 2.22 -0.09 4.23 5.04 -1.26 -5.00 117.35 127.03 2kgg s TYR 46 Ca 0.60 0.66 -0.01 0.00 -2.44 0.00 0.00 57.07 55.88 2kgg s TYR 46 Cb -0.19 -4.16 -0.03 0.00 0.35 0.00 0.00 41.96 37.93 2kgg s TYR 46 CO 0.24 -2.38 -0.03 0.42 -1.34 0.00 0.00 175.55 172.46 2kgg s ILE 47 N 5.63 4.04 0.57 3.14 -1.09 -1.26 -3.70 121.20 128.53 2kgg s ILE 47 Ca 0.67 -0.34 0.07 0.00 -2.23 0.00 0.00 60.65 58.82 2kgg s ILE 47 Cb -0.18 -2.69 0.08 0.00 -1.58 0.00 0.00 42.46 38.08 2kgg s ILE 47 CO 0.31 0.59 0.78 0.00 -1.23 0.00 0.00 174.94 175.39 2kgg h ILE 49 N 0.14 1.03 0.10 0.00 2.10 -2.00 0.12 117.51 119.01 2kgg h ILE 49 Ca -0.34 -0.25 -0.26 0.00 1.08 0.00 0.00 64.86 65.09 2kgg h ILE 49 Cb 1.28 0.25 -0.00 0.00 -1.09 0.00 0.00 36.82 37.26 2kgg h ILE 49 CO 0.42 0.13 -1.19 0.78 -1.08 0.00 0.00 178.15 177.22 2kgg h ASN 50 N 0.72 0.38 0.85 2.19 4.21 -2.04 -3.15 115.58 118.74 2kgg h ASN 50 Ca 0.29 -0.39 -0.08 0.00 1.21 0.00 0.00 56.30 57.33 2kgg h ASN 50 Cb 0.22 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 2kgg h ASN 50 CO -0.09 1.30 -0.37 0.00 -1.29 0.00 0.00 177.43 176.98