#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgi s VAL 2 N 0.00 3.74 0.42 0.44 1.01 -1.26 -4.26 120.40 120.50 2kgi s VAL 2 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2kgi s VAL 2 Cb 0.00 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 2kgi s VAL 2 CO 0.00 0.41 0.07 0.00 0.00 0.00 0.00 175.10 175.58 2kgi n ALA 4 N -0.98 5.07 -2.61 0.00 0.00 -0.86 -4.94 120.51 116.19 2kgi n ALA 4 Ca -0.09 -4.80 -0.32 0.00 0.00 0.00 0.00 53.44 48.23 2kgi n ALA 4 Cb 0.66 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.84 2kgi n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kgi s ALA 5 N -2.79 3.06 0.20 0.00 0.00 -1.26 -4.86 121.76 116.10 2kgi s ALA 5 Ca 0.32 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 2kgi s ALA 5 Cb 0.06 -1.13 0.20 0.00 0.00 0.00 0.00 23.12 22.26 2kgi s ALA 5 CO 0.09 0.63 1.61 1.96 0.00 0.00 0.00 175.76 180.05 2kgi h GLN 6 N 4.31 -0.07 -2.63 0.00 4.20 -1.92 -2.92 115.11 116.08 2kgi h GLN 6 Ca -0.48 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 57.57 2kgi h GLN 6 Cb 1.17 0.02 -0.38 0.00 0.30 0.00 0.00 27.48 28.58 2kgi h GLN 6 CO 0.54 -0.05 -0.27 -1.71 -0.67 0.00 0.00 178.83 176.68 2kgi n ASN 7 N -5.45 4.21 -4.81 1.46 5.15 -1.26 -5.04 115.26 109.52 2kgi n ASN 7 Ca 0.06 -3.36 -0.37 0.00 -0.60 0.00 0.00 54.58 50.32 2kgi n ASN 7 Cb 0.35 -0.85 -0.07 0.00 -0.53 0.00 0.00 39.78 38.69 2kgi n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kgi s GLN 9 N -0.47 3.32 -0.55 0.00 -0.21 -1.26 -5.07 119.66 115.42 2kgi s GLN 9 Ca 0.16 -0.23 -0.19 0.00 0.02 0.00 0.00 55.36 55.13 2kgi s GLN 9 Cb -0.13 -3.06 0.09 0.00 1.00 0.00 0.00 33.01 30.90 2kgi s GLN 9 CO 0.05 0.73 0.65 1.03 -2.12 0.00 0.00 175.29 175.63 2kgi s ARG 10 N -0.91 3.07 -0.05 2.91 0.52 -1.26 -4.94 118.95 118.29 2kgi s ARG 10 Ca 0.14 -1.18 -0.22 0.00 -0.52 0.00 0.00 55.73 53.95 2kgi s ARG 10 Cb -0.12 -4.20 -0.17 0.00 0.52 0.00 0.00 34.95 30.99 2kgi s ARG 10 CO 0.03 -1.38 0.90 -1.00 0.02 0.00 0.00 175.30 173.87 2kgi h PRO 11 N 9.08 -0.18 -1.27 3.54 0.13 -1.98 -3.47 132.00 137.85 2kgi h PRO 11 Ca -0.29 0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.46 2kgi h PRO 11 Cb 1.09 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.12 2kgi h PRO 11 CO 1.03 0.29 -0.37 0.00 -0.23 0.00 0.00 178.00 178.72 2kgi s LYS 13 N -3.77 0.10 0.00 0.00 1.02 -1.26 -5.00 119.74 110.83 2kgi s LYS 13 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.19 2kgi s LYS 13 Cb 0.00 -1.73 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 2kgi s LYS 13 CO 0.00 -2.88 0.87 -0.40 -0.92 0.00 0.00 175.35 172.01 2kgi n ASP 14 N -4.22 0.00 -4.26 2.83 5.68 -1.26 -4.26 116.55 111.06 2kgi n ASP 14 Ca 0.09 0.87 -0.43 0.00 -0.50 0.00 0.00 54.79 54.81 2kgi n ASP 14 Cb 0.59 -0.37 -0.07 0.00 -1.14 0.00 0.00 41.12 40.13 2kgi n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2kgi s LYS 15 N -2.46 2.75 -0.06 0.11 1.02 -1.26 -5.05 119.74 114.79 2kgi s LYS 15 Ca 0.00 -1.76 0.02 0.00 0.02 0.00 0.00 55.97 54.25 2kgi s LYS 15 Cb 0.00 -4.12 -0.03 0.00 -0.52 0.00 0.00 37.83 33.16 2kgi s LYS 15 CO 0.00 -1.26 -0.09 0.14 -0.92 0.00 0.00 175.35 173.21 2kgi s VAL 16 N 1.44 3.50 0.04 3.17 -7.23 -1.26 -5.12 120.40 114.94 2kgi s VAL 16 Ca 0.05 -0.58 -0.02 0.00 -1.81 0.00 0.00 61.98 59.62 2kgi s VAL 16 Cb -0.28 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 2kgi s VAL 16 CO 0.01 0.58 0.23 -1.81 -0.31 0.00 0.00 175.10 173.80 2kgi s ASP 17 N -0.83 6.40 0.17 4.85 1.01 -1.26 -5.11 116.67 121.90 2kgi s ASP 17 Ca 0.12 0.38 0.04 0.00 0.71 0.00 0.00 52.55 53.80 2kgi s ASP 17 Cb -0.11 -2.01 -0.05 0.00 1.01 0.00 0.00 42.92 41.77 2kgi s ASP 17 CO 0.02 0.19 -0.07 0.26 0.21 0.00 0.00 175.17 175.78 2kgi s TRP 18 N -1.45 1.35 -0.00 4.23 0.52 -1.26 -3.22 118.94 119.11 2kgi s TRP 18 Ca 0.33 -0.82 -0.01 0.00 0.02 0.00 0.00 56.10 55.62 2kgi s TRP 18 Cb -0.13 -0.72 -0.00 0.00 -1.15 0.00 0.00 33.47 31.47 2kgi s TRP 18 CO 0.23 0.03 0.02 0.08 0.02 0.00 0.00 176.95 177.33 2kgi s VAL 19 N -3.37 0.02 -0.11 4.03 1.01 1.33 -4.82 120.40 118.49 2kgi s VAL 19 Ca 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 2kgi s VAL 19 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 2kgi s VAL 19 CO 0.03 -0.08 -0.03 -1.58 0.00 0.00 0.00 175.10 173.44 2kgi s GLN 20 N -0.24 3.24 0.29 2.72 0.74 -1.26 -0.39 119.66 124.75 2kgi s GLN 20 Ca -0.03 -0.48 -0.29 0.00 0.05 0.00 0.00 55.36 54.62 2kgi s GLN 20 Cb -0.02 -2.81 -0.09 0.00 1.10 0.00 0.00 33.01 31.19 2kgi s GLN 20 CO -0.00 0.50 1.05 0.00 -0.55 0.00 0.00 175.29 176.29 2kgi n ASP 22 N 1.07 3.37 0.00 0.00 8.00 0.90 -4.01 116.55 125.89 2kgi n ASP 22 Ca -0.00 -2.72 0.00 0.00 0.71 0.00 0.00 54.79 52.77 2kgi n ASP 22 Cb 0.46 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 2kgi n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kgi n GLY 23 N -0.18 1.98 0.73 0.44 0.00 -1.26 -4.95 105.19 101.96 2kgi n GLY 23 Ca 0.26 -1.83 0.08 0.00 0.00 0.00 0.00 46.02 44.53 2kgi n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgi n GLY 24 N 5.00 1.11 0.04 -0.02 0.00 -1.26 -4.33 105.19 105.72 2kgi n GLY 24 Ca 0.00 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.65 2kgi n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgi n ASP 26 N -2.21 -1.42 -4.85 0.00 9.92 -1.26 -4.94 116.55 111.79 2kgi n ASP 26 Ca -0.01 -1.14 -0.34 0.00 -0.53 0.00 0.00 54.79 52.77 2kgi n ASP 26 Cb 0.51 -2.21 -0.06 0.00 -0.64 0.00 0.00 41.12 38.73 2kgi n ASP 26 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kgi s GLU 27 N -7.07 3.98 -0.13 -1.24 2.02 -1.26 -4.73 118.70 110.27 2kgi s GLU 27 Ca 0.48 0.51 -0.19 0.00 0.02 0.00 0.00 54.97 55.79 2kgi s GLU 27 Cb -0.27 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 2kgi s GLU 27 CO 0.97 0.38 0.54 -1.58 0.02 0.00 0.00 175.26 175.58 2kgi s TRP 28 N -1.64 3.49 0.37 1.61 0.52 -1.26 -2.28 118.94 119.75 2kgi s TRP 28 Ca 0.44 0.94 0.04 0.00 0.02 0.00 0.00 56.10 57.54 2kgi s TRP 28 Cb -0.13 -2.63 -0.05 0.00 -1.15 0.00 0.00 33.47 29.50 2kgi s TRP 28 CO 0.20 0.09 0.06 -0.06 0.02 0.00 0.00 176.95 177.26 2kgi s PHE 29 N 0.90 1.99 0.06 -1.98 0.08 0.47 -2.03 117.98 117.47 2kgi s PHE 29 Ca 0.28 -0.99 -0.06 0.00 0.12 0.00 0.00 56.93 56.28 2kgi s PHE 29 Cb -0.16 -1.35 -0.05 0.00 -0.57 0.00 0.00 43.02 40.89 2kgi s PHE 29 CO 0.12 0.02 0.31 -1.01 -0.10 0.00 0.00 175.22 174.56 2kgi s HIS 30 N -3.17 3.54 0.27 0.36 3.76 0.24 -0.81 115.29 119.49 2kgi s HIS 30 Ca 0.31 0.57 -0.04 0.00 -0.15 0.00 0.00 55.06 55.75 2kgi s HIS 30 Cb 0.07 -2.00 0.34 0.00 1.11 0.00 0.00 32.58 32.10 2kgi s HIS 30 CO 0.14 0.54 1.91 1.96 -0.85 0.00 0.00 174.74 178.45 2kgi h GLN 31 N 3.52 1.14 0.00 1.40 4.20 -1.47 -2.53 115.11 121.37 2kgi h GLN 31 Ca -0.48 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.00 2kgi h GLN 31 Cb 1.18 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 2kgi h GLN 31 CO 0.69 0.81 -0.57 -0.39 -0.67 0.00 0.00 178.83 178.69 2kgi h VAL 32 N 1.15 1.40 0.00 -0.54 -1.51 -1.88 0.36 116.25 115.23 2kgi h VAL 32 Ca 0.30 -1.98 -0.06 0.00 -1.23 0.00 0.00 66.70 63.73 2kgi h VAL 32 Cb -0.03 2.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 2kgi h VAL 32 CO -0.05 0.56 -0.72 0.00 -1.23 0.00 0.00 177.57 176.12 2kgi n VAL 34 N -2.95 2.22 -3.57 0.00 3.14 -1.10 -4.70 118.33 111.37 2kgi n VAL 34 Ca -0.01 -2.01 -0.22 0.00 -2.96 0.00 0.00 64.34 59.14 2kgi n VAL 34 Cb 0.65 -0.26 0.08 0.00 -1.06 0.00 0.00 33.84 33.25 2kgi n VAL 34 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kgi n GLY 35 N -0.74 -0.49 3.87 7.55 0.00 -1.12 -5.01 105.19 109.25 2kgi n GLY 35 Ca 0.21 0.21 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 2kgi n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kgi s VAL 36 N -3.34 5.24 -0.08 1.61 1.01 0.12 -5.03 120.40 119.94 2kgi s VAL 36 Ca 0.43 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2kgi s VAL 36 Cb -0.19 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2kgi s VAL 36 CO 0.74 0.43 -0.07 -0.44 0.00 0.00 0.00 175.10 175.75 2kgi s SER 37 N -1.50 4.62 0.29 3.32 0.01 -1.26 -4.43 113.70 114.74 2kgi s SER 37 Ca 0.26 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.48 2kgi s SER 37 Cb -0.14 -1.26 0.68 0.00 0.21 0.00 0.00 66.02 65.52 2kgi s SER 37 CO 0.14 0.33 1.63 1.55 0.41 0.00 0.00 173.24 177.30 2kgi h PRO 38 N 5.50 0.15 -0.75 12.44 0.13 -1.98 0.15 132.00 147.63 2kgi h PRO 38 Ca -0.45 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2kgi h PRO 38 Cb 1.18 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 2kgi h PRO 38 CO 0.54 0.10 0.37 1.49 -0.23 0.00 0.00 178.00 180.26 2kgi h GLU 39 N 0.15 1.07 0.01 0.86 4.81 -1.99 -2.23 114.58 117.26 2kgi h GLU 39 Ca 0.54 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2kgi h GLU 39 Cb 1.09 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2kgi h GLU 39 CO -0.70 0.82 -0.01 0.52 -0.73 0.00 0.00 179.01 178.91 2kgi h MET 40 N 1.07 -0.02 0.00 1.92 2.86 -1.35 -2.44 114.93 116.98 2kgi h MET 40 Ca 0.26 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.76 2kgi h MET 40 Cb 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2kgi h MET 40 CO -0.03 0.53 -0.66 0.00 1.06 0.00 0.00 176.91 177.81 2kgi h ALA 41 N 0.41 0.71 0.00 6.32 0.00 -1.47 -1.59 119.26 123.63 2kgi h ALA 41 Ca -0.00 -0.60 -0.20 0.00 0.00 0.00 0.00 54.91 54.11 2kgi h ALA 41 Cb 0.55 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2kgi h ALA 41 CO 0.00 0.82 -1.20 0.93 0.00 0.00 0.00 179.25 179.81 2kgi h GLU 42 N 0.00 0.00 0.09 0.00 5.08 -1.48 -3.38 114.58 114.90 2kgi h GLU 42 Ca -0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2kgi h GLU 42 Cb 1.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2kgi h GLU 42 CO 0.09 0.56 -1.85 -0.97 -1.00 0.00 0.00 179.01 175.83 2kgi h ASN 43 N 0.00 0.31 -4.17 1.42 -1.24 -1.42 -3.49 115.58 106.99 2kgi h ASN 43 Ca -0.12 -0.64 -0.30 0.00 0.71 0.00 0.00 56.30 55.95 2kgi h ASN 43 Cb 1.70 -0.10 -0.15 0.00 0.73 0.00 0.00 38.32 40.50 2kgi h ASN 43 CO 0.08 1.57 -0.70 -1.61 -1.29 0.00 0.00 177.43 175.48 2kgi s GLU 44 N -2.58 1.02 0.26 6.67 2.02 -0.60 -5.09 118.70 120.39 2kgi s GLU 44 Ca -0.16 -1.44 -0.31 0.00 0.02 0.00 0.00 54.97 53.09 2kgi s GLU 44 Cb 0.07 -0.48 -0.13 0.00 0.10 0.00 0.00 34.13 33.69 2kgi s GLU 44 CO 0.80 0.03 1.48 -0.25 0.02 0.00 0.00 175.26 177.33 2kgi n ASP 45 N -0.17 3.15 -4.37 -0.19 9.92 -1.26 -4.33 116.55 119.30 2kgi n ASP 45 Ca -0.10 1.14 -0.36 0.00 -0.53 0.00 0.00 54.79 54.94 2kgi n ASP 45 Cb 0.61 -1.49 -0.13 0.00 -0.64 0.00 0.00 41.12 39.47 2kgi n ASP 45 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2kgi s TYR 46 N -0.03 3.06 -0.26 1.24 5.04 -1.26 -4.95 117.35 120.18 2kgi s TYR 46 Ca 0.67 -0.76 -0.09 0.00 -2.44 0.00 0.00 57.07 54.45 2kgi s TYR 46 Cb -0.59 -2.20 -0.04 0.00 0.35 0.00 0.00 41.96 39.48 2kgi s TYR 46 CO 0.49 -0.48 0.13 0.42 -1.34 0.00 0.00 175.55 174.76 2kgi s ILE 47 N 1.54 4.83 0.75 3.14 -1.09 -1.26 -0.07 121.20 129.04 2kgi s ILE 47 Ca 0.05 0.00 -0.05 0.00 -2.23 0.00 0.00 60.65 58.43 2kgi s ILE 47 Cb -0.15 -3.27 0.12 0.00 -1.58 0.00 0.00 42.46 37.57 2kgi s ILE 47 CO 0.01 0.31 1.05 0.00 -1.23 0.00 0.00 174.94 175.07 2kgi h ILE 49 N -0.72 1.05 0.00 0.00 -0.00 -1.98 -1.37 117.51 114.49 2kgi h ILE 49 Ca -0.40 -1.29 -0.07 0.00 -0.00 0.00 0.00 64.86 63.10 2kgi h ILE 49 Cb 1.27 1.74 -0.01 0.00 -0.00 0.00 0.00 36.82 39.82 2kgi h ILE 49 CO 0.44 0.34 -0.34 0.78 -0.00 0.00 0.00 178.15 179.38 2kgi h ASN 50 N 0.00 0.00 0.27 2.16 2.35 -2.00 -2.92 115.58 115.44 2kgi h ASN 50 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kgi h ASN 50 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2kgi h ASN 50 CO 0.05 0.34 -0.56 0.00 -1.65 0.00 0.00 177.43 175.61