#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 3.87 0.54 -3.33 1.01 -1.26 -4.50 120.40 116.72 2kgi s VAL 2 Ca 0.00 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.52 2kgi s VAL 2 Cb 0.00 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.79 2kgi s VAL 2 CO 0.00 0.51 0.59 0.00 0.00 0.00 0.00 175.10 176.20 2kgi n ALA 4 N -1.96 5.15 -2.57 0.00 0.00 -0.39 -4.94 120.51 115.79 2kgi n ALA 4 Ca 0.07 -4.79 -0.34 0.00 0.00 0.00 0.00 53.44 48.39 2kgi n ALA 4 Cb 0.62 -2.17 -0.11 0.00 0.00 0.00 0.00 19.45 17.79 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 -2.91 2.94 0.24 0.00 0.00 -1.26 -4.86 121.76 115.91 2kgi s ALA 5 Ca 0.33 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 2kgi s ALA 5 Cb 0.07 -1.20 0.32 0.00 0.00 0.00 0.00 23.12 22.31 2kgi s ALA 5 CO 0.08 0.57 1.60 0.37 0.00 0.00 0.00 175.76 178.37 2kgi h GLN 6 N 5.27 -0.01 -2.19 0.00 4.15 -1.92 -3.05 115.11 117.36 2kgi h GLN 6 Ca -0.48 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.34 2kgi h GLN 6 Cb 1.17 0.00 -0.42 0.00 0.21 0.00 0.00 27.48 28.44 2kgi h GLN 6 CO 0.52 -0.01 -0.62 -1.71 -1.93 0.00 0.00 178.83 175.09 2kgi n ASN 7 N -5.51 3.58 -4.94 -0.69 5.15 -1.26 -5.07 115.26 106.52 2kgi n ASN 7 Ca 0.11 -3.41 -0.27 0.00 -0.60 0.00 0.00 54.58 50.41 2kgi n ASN 7 Cb 0.40 -0.67 -0.03 0.00 -0.53 0.00 0.00 39.78 38.95 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 -3.26 2.15 -0.53 0.00 -2.07 -1.26 -5.10 119.66 109.60 2kgi s GLN 9 Ca 0.36 -0.92 -0.21 0.00 -1.82 0.00 0.00 55.36 52.77 2kgi s GLN 9 Cb -0.11 -2.21 0.06 0.00 -1.09 0.00 0.00 33.01 29.66 2kgi s GLN 9 CO 0.29 0.56 0.72 0.50 -1.32 0.00 0.00 175.29 176.04 2kgi s ARG 10 N -1.23 3.18 -0.03 9.60 3.52 -1.26 -4.90 118.95 127.82 2kgi s ARG 10 Ca 0.14 -0.73 -0.10 0.00 -0.13 0.00 0.00 55.73 54.91 2kgi s ARG 10 Cb -0.10 -4.09 -0.05 0.00 -1.56 0.00 0.00 34.95 29.14 2kgi s ARG 10 CO 0.04 -1.32 0.49 -1.35 -0.81 0.00 0.00 175.30 172.35 2kgi h PRO 11 N 9.10 -0.34 -1.50 5.12 0.11 -2.00 -3.48 132.00 139.02 2kgi h PRO 11 Ca -0.27 0.02 -0.39 0.00 0.11 0.00 0.00 66.00 65.47 2kgi h PRO 11 Cb 1.09 0.08 -0.11 0.00 0.11 0.00 0.00 31.00 32.16 2kgi h PRO 11 CO 1.01 -0.22 -0.40 0.00 -0.21 0.00 0.00 178.00 178.17 2kgi n LYS 13 N -2.57 -1.84 0.02 0.00 5.02 -1.26 -4.98 118.16 112.54 2kgi n LYS 13 Ca -0.20 -1.31 -0.01 0.00 -2.02 0.00 0.00 58.31 54.76 2kgi n LYS 13 Cb 0.65 -1.07 -0.01 0.00 -0.02 0.00 0.00 35.03 34.58 2kgi n LYS 13 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2kgi h ASP 14 N -1.80 -0.12 -3.39 4.39 3.58 -2.07 -3.41 116.42 113.60 2kgi h ASP 14 Ca -0.29 0.01 -0.66 0.00 0.42 0.00 0.00 57.03 56.51 2kgi h ASP 14 Cb 0.86 0.04 -0.33 0.00 1.72 0.00 0.00 39.33 41.62 2kgi h ASP 14 CO 0.20 -0.05 -0.87 -0.54 -2.88 0.00 0.00 179.24 175.09 2kgi s LYS 15 N -3.24 2.87 0.06 0.28 1.02 -1.26 -5.12 119.74 114.35 2kgi s LYS 15 Ca -0.01 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.19 2kgi s LYS 15 Cb 0.00 -2.19 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 2kgi s LYS 15 CO 0.05 0.18 -0.13 0.14 -0.92 0.00 0.00 175.35 174.67 2kgi s VAL 16 N 0.34 0.99 0.07 3.17 -7.23 -1.26 -5.10 120.40 111.39 2kgi s VAL 16 Ca -0.18 -1.24 -0.14 0.00 -1.81 0.00 0.00 61.98 58.62 2kgi s VAL 16 Cb -0.17 -0.97 -0.06 0.00 0.56 0.00 0.00 36.38 35.73 2kgi s VAL 16 CO 0.08 -0.24 0.47 -1.81 -0.31 0.00 0.00 175.10 173.29 2kgi s ASP 17 N -1.66 6.80 0.19 4.85 1.01 -1.26 -5.09 116.67 121.51 2kgi s ASP 17 Ca -0.03 0.99 0.05 0.00 0.71 0.00 0.00 52.55 54.27 2kgi s ASP 17 Cb -0.10 -2.26 -0.05 0.00 1.01 0.00 0.00 42.92 41.53 2kgi s ASP 17 CO 0.02 0.21 -0.09 0.26 0.21 0.00 0.00 175.17 175.78 2kgi s TRP 18 N -1.28 1.49 0.01 4.23 0.52 -1.26 -3.88 118.94 118.76 2kgi s TRP 18 Ca 0.31 -0.73 0.01 0.00 0.02 0.00 0.00 56.10 55.71 2kgi s TRP 18 Cb -0.16 -0.76 -0.01 0.00 -1.15 0.00 0.00 33.47 31.39 2kgi s TRP 18 CO 0.17 0.15 -0.02 0.08 0.02 0.00 0.00 176.95 177.35 2kgi s VAL 19 N -3.22 0.16 -0.11 4.03 1.01 2.49 -4.77 120.40 119.99 2kgi s VAL 19 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2kgi s VAL 19 Cb 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 2kgi s VAL 19 CO 0.04 -0.07 0.08 -1.58 0.00 0.00 0.00 175.10 173.57 2kgi s GLN 20 N -0.37 3.26 0.27 2.72 -0.44 -1.26 0.28 119.66 124.12 2kgi s GLN 20 Ca -0.03 -0.24 -0.23 0.00 -2.50 0.00 0.00 55.36 52.36 2kgi s GLN 20 Cb -0.03 -3.03 -0.09 0.00 -1.64 0.00 0.00 33.01 28.22 2kgi s GLN 20 CO -0.00 0.75 0.83 0.00 0.50 0.00 0.00 175.29 177.37 2kgi n ASP 22 N 0.68 2.70 -0.10 0.00 8.00 0.77 -4.25 116.55 124.36 2kgi n ASP 22 Ca -0.00 -3.11 0.01 0.00 0.71 0.00 0.00 54.79 52.40 2kgi n ASP 22 Cb 0.50 -0.46 0.03 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.21 3.06 0.00 0.44 0.00 -1.26 -4.94 105.19 101.29 2kgi n GLY 23 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.40 2.51 0.00 -0.02 0.00 -1.26 -4.82 105.19 101.19 2kgi n GLY 24 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.51 -1.22 -4.68 0.00 8.00 -1.26 -5.05 116.55 110.82 2kgi n ASP 26 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 2kgi n ASP 26 Cb 0.00 -0.31 -0.08 0.00 -0.02 0.00 0.00 41.12 40.72 2kgi n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kgi s GLU 27 N -2.53 2.18 -0.06 -1.24 2.02 -1.26 -4.79 118.70 113.01 2kgi s GLU 27 Ca 0.00 -2.39 -0.08 0.00 0.02 0.00 0.00 54.97 52.52 2kgi s GLU 27 Cb 0.00 -1.41 -0.04 0.00 0.10 0.00 0.00 34.13 32.78 2kgi s GLU 27 CO 0.00 -0.39 0.22 -1.58 0.02 0.00 0.00 175.26 173.53 2kgi s TRP 28 N -2.92 3.61 0.41 1.61 0.52 -1.26 -2.34 118.94 118.57 2kgi s TRP 28 Ca 0.07 0.61 0.03 0.00 0.02 0.00 0.00 56.10 56.83 2kgi s TRP 28 Cb 0.01 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 2kgi s TRP 28 CO 0.04 0.68 0.07 -0.06 0.02 0.00 0.00 176.95 177.70 2kgi s PHE 29 N -1.13 1.93 -0.04 -1.98 0.08 0.14 -1.26 117.98 115.73 2kgi s PHE 29 Ca 0.21 -1.05 -0.01 0.00 0.12 0.00 0.00 56.93 56.20 2kgi s PHE 29 Cb -0.13 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 2kgi s PHE 29 CO 0.10 -0.01 0.03 -1.01 -0.10 0.00 0.00 175.22 174.23 2kgi s HIS 30 N -3.09 3.19 0.20 0.36 3.76 0.51 -0.04 115.29 120.18 2kgi s HIS 30 Ca 0.24 0.18 -0.15 0.00 -0.15 0.00 0.00 55.06 55.18 2kgi s HIS 30 Cb 0.05 -1.75 0.21 0.00 1.11 0.00 0.00 32.58 32.20 2kgi s HIS 30 CO 0.12 0.50 1.62 1.96 -0.85 0.00 0.00 174.74 178.09 2kgi h GLN 31 N 4.61 -0.04 0.00 1.40 1.08 -1.64 -2.01 115.11 118.50 2kgi h GLN 31 Ca -0.50 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.58 2kgi h GLN 31 Cb 1.19 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 2kgi h GLN 31 CO 0.58 -0.03 -0.58 -0.39 -0.95 0.00 0.00 178.83 177.46 2kgi h VAL 32 N -0.05 1.41 0.00 -0.54 -1.51 -1.91 0.36 116.25 114.02 2kgi h VAL 32 Ca 0.28 -1.98 -0.14 0.00 -1.23 0.00 0.00 66.70 63.64 2kgi h VAL 32 Cb 0.48 2.07 -0.02 0.00 -2.13 0.00 0.00 31.29 31.69 2kgi h VAL 32 CO -0.65 0.57 -0.93 0.00 -1.23 0.00 0.00 177.57 175.33 2kgi n VAL 34 N -3.08 1.35 -3.23 0.00 3.14 -0.93 -4.74 118.33 110.84 2kgi n VAL 34 Ca -0.03 -1.15 -0.15 0.00 -2.96 0.00 0.00 64.34 60.05 2kgi n VAL 34 Cb 0.79 0.33 0.07 0.00 -1.06 0.00 0.00 33.84 33.97 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 0.85 -0.24 3.92 7.55 0.00 -1.11 -4.90 105.19 111.27 2kgi n GLY 35 Ca 0.20 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.29 4.98 -0.06 1.61 1.01 0.12 -5.03 120.40 119.74 2kgi s VAL 36 Ca 0.10 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 61.01 2kgi s VAL 36 Cb -0.05 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2kgi s VAL 36 CO 0.61 -0.33 -0.21 -0.44 0.00 0.00 0.00 175.10 174.72 2kgi s SER 37 N -3.92 3.39 0.35 3.32 0.01 -1.26 -4.52 113.70 111.06 2kgi s SER 37 Ca 0.34 -0.42 0.14 0.00 1.31 0.00 0.00 55.95 57.32 2kgi s SER 37 Cb -0.09 -0.87 1.13 0.00 0.21 0.00 0.00 66.02 66.40 2kgi s SER 37 CO 0.28 0.27 1.60 -0.65 0.41 0.00 0.00 173.24 175.14 2kgi h PRO 38 N 5.91 0.07 -0.76 12.44 0.11 -1.99 0.27 132.00 148.05 2kgi h PRO 38 Ca -0.36 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 2kgi h PRO 38 Cb 1.17 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2kgi h PRO 38 CO 0.49 0.05 0.44 0.93 -0.21 0.00 0.00 178.00 179.69 2kgi h GLU 39 N 0.07 1.04 -0.00 1.05 5.08 -1.99 -2.56 114.58 117.27 2kgi h GLU 39 Ca 0.75 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 59.00 2kgi h GLU 39 Cb 1.84 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.88 2kgi h GLU 39 CO -0.77 0.76 -0.00 0.52 -1.00 0.00 0.00 179.01 178.52 2kgi h MET 40 N 1.04 0.00 0.00 2.33 2.86 -0.82 -2.24 114.93 118.10 2kgi h MET 40 Ca 0.27 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.84 2kgi h MET 40 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2kgi h MET 40 CO -0.05 0.55 -0.32 0.00 1.06 0.00 0.00 176.91 178.15 2kgi h ALA 41 N 0.45 1.21 0.00 6.32 0.00 -1.47 0.15 119.26 125.93 2kgi h ALA 41 Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 2kgi h ALA 41 Cb 0.55 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2kgi h ALA 41 CO 0.00 0.39 -1.22 0.93 0.00 0.00 0.00 179.25 179.35 2kgi h GLU 42 N 0.00 0.00 0.02 0.00 5.08 -1.49 -3.39 114.58 114.80 2kgi h GLU 42 Ca -0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.99 2kgi h GLU 42 Cb 0.68 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 2kgi h GLU 42 CO 0.04 0.26 -2.23 0.09 -1.00 0.00 0.00 179.01 176.17 2kgi n ASN 43 N -2.89 1.16 -3.96 1.42 4.13 -0.84 -5.00 115.26 109.27 2kgi n ASN 43 Ca -0.06 0.06 -0.09 0.00 1.68 0.00 0.00 54.58 56.17 2kgi n ASN 43 Cb 0.77 0.03 -0.11 0.00 -1.54 0.00 0.00 39.78 38.94 2kgi n ASN 43 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2kgi s GLU 44 N -2.53 0.40 0.09 3.52 2.12 0.02 -5.08 118.70 117.24 2kgi s GLU 44 Ca -0.19 -0.62 -0.35 0.00 0.36 0.00 0.00 54.97 54.16 2kgi s GLU 44 Cb 0.07 0.15 -0.15 0.00 0.26 0.00 0.00 34.13 34.46 2kgi s GLU 44 CO 0.74 -0.08 1.51 -0.40 -0.54 0.00 0.00 175.26 176.49 2kgi n ASP 45 N 1.38 2.48 -4.65 -1.70 5.75 -1.26 -4.31 116.55 114.24 2kgi n ASP 45 Ca -0.23 1.09 -0.35 0.00 -0.01 0.00 0.00 54.79 55.30 2kgi n ASP 45 Cb 0.56 -1.31 -0.10 0.00 -1.03 0.00 0.00 41.12 39.24 2kgi n ASP 45 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2kgi s TYR 46 N 1.07 3.18 -0.14 2.11 5.04 -1.26 -4.93 117.35 122.42 2kgi s TYR 46 Ca 0.83 0.09 -0.00 0.00 -2.44 0.00 0.00 57.07 55.55 2kgi s TYR 46 Cb -0.81 -1.90 -0.01 0.00 0.35 0.00 0.00 41.96 39.58 2kgi s TYR 46 CO 0.44 0.31 -0.14 0.42 -1.34 0.00 0.00 175.55 175.24 2kgi s ILE 47 N -0.34 2.91 0.79 3.14 -1.09 -1.26 -0.16 121.20 125.19 2kgi s ILE 47 Ca 0.07 -0.70 -0.10 0.00 -2.23 0.00 0.00 60.65 57.69 2kgi s ILE 47 Cb -0.12 -2.23 0.10 0.00 -1.58 0.00 0.00 42.46 38.63 2kgi s ILE 47 CO 0.02 0.51 1.13 0.00 -1.23 0.00 0.00 174.94 175.38 2kgi h ILE 49 N -0.96 0.67 0.00 0.00 -0.00 -2.00 -2.30 117.51 112.92 2kgi h ILE 49 Ca -0.45 -1.06 -0.04 0.00 -0.00 0.00 0.00 64.86 63.31 2kgi h ILE 49 Cb 1.30 1.68 -0.01 0.00 -0.00 0.00 0.00 36.82 39.80 2kgi h ILE 49 CO 0.57 0.23 -0.18 0.78 -0.00 0.00 0.00 178.15 179.56 2kgi h ASN 50 N 0.00 0.00 -0.05 2.16 4.21 -2.01 -2.52 115.58 117.37 2kgi h ASN 50 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kgi h ASN 50 Cb 0.67 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.87 2kgi h ASN 50 CO 0.03 0.18 0.00 0.00 -1.29 0.00 0.00 177.43 176.35