#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 4.01 0.51 0.44 1.01 -1.26 -4.55 120.40 120.56 2kgi s VAL 2 Ca 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.51 2kgi s VAL 2 Cb 0.00 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.68 2kgi s VAL 2 CO 0.00 0.46 0.52 0.00 0.00 0.00 0.00 175.10 176.08 2kgi n ALA 4 N -1.85 5.11 -2.59 0.00 0.00 -0.29 -4.94 120.51 115.96 2kgi n ALA 4 Ca 0.05 -4.80 -0.32 0.00 0.00 0.00 0.00 53.44 48.37 2kgi n ALA 4 Cb 0.62 -2.17 -0.11 0.00 0.00 0.00 0.00 19.45 17.80 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 -2.86 2.99 0.21 0.00 0.00 -1.26 -4.85 121.76 116.00 2kgi s ALA 5 Ca 0.33 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 2kgi s ALA 5 Cb 0.07 -1.13 0.22 0.00 0.00 0.00 0.00 23.12 22.28 2kgi s ALA 5 CO 0.08 0.60 1.59 0.37 0.00 0.00 0.00 175.76 178.41 2kgi h GLN 6 N 4.66 -0.07 -2.18 0.00 4.15 -1.92 -2.98 115.11 116.78 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 0.02 -0.42 0.00 0.21 0.00 0.00 27.48 28.46 2kgi h GLN 6 CO 0.53 -0.05 -0.62 -1.71 -1.93 0.00 0.00 178.83 175.06 2kgi n ASN 7 N -5.47 3.58 -4.93 -0.69 2.85 -1.26 -5.06 115.26 104.28 2kgi n ASN 7 Ca 0.08 -3.41 -0.27 0.00 -0.11 0.00 0.00 54.58 50.86 2kgi n ASN 7 Cb 0.37 -0.67 -0.03 0.00 1.24 0.00 0.00 39.78 40.70 2kgi n ASN 7 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kgi s GLN 9 N -3.26 2.14 -0.59 0.00 -0.21 -1.26 -5.09 119.66 111.40 2kgi s GLN 9 Ca 0.38 -0.97 -0.17 0.00 0.02 0.00 0.00 55.36 54.61 2kgi s GLN 9 Cb -0.11 -2.28 0.13 0.00 1.00 0.00 0.00 33.01 31.75 2kgi s GLN 9 CO 0.29 0.53 0.60 0.50 -2.12 0.00 0.00 175.29 175.09 2kgi s ARG 10 N -1.80 3.09 -0.05 2.91 3.52 -1.26 -4.86 118.95 120.49 2kgi s ARG 10 Ca 0.18 -1.68 -0.26 0.00 -0.13 0.00 0.00 55.73 53.84 2kgi s ARG 10 Cb -0.11 -4.32 -0.21 0.00 -1.56 0.00 0.00 34.95 28.76 2kgi s ARG 10 CO 0.09 -1.40 1.13 -1.00 -0.81 0.00 0.00 175.30 173.31 2kgi h PRO 11 N 8.85 -0.04 -2.11 5.12 0.13 -1.99 -3.48 132.00 138.48 2kgi h PRO 11 Ca -0.24 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.51 2kgi h PRO 11 Cb 1.09 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.14 2kgi h PRO 11 CO 1.03 0.53 -0.41 0.00 -0.23 0.00 0.00 178.00 178.92 2kgi s LYS 13 N -4.27 1.06 0.00 0.00 1.02 -1.26 -5.03 119.74 111.26 2kgi s LYS 13 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.13 2kgi s LYS 13 Cb 0.00 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 2kgi s LYS 13 CO 0.00 -1.99 0.43 -0.25 -0.92 0.00 0.00 175.35 172.61 2kgi n ASP 14 N -3.32 0.00 -4.54 2.83 8.00 -1.26 -4.21 116.55 114.05 2kgi n ASP 14 Ca 0.16 0.63 -0.42 0.00 0.71 0.00 0.00 54.79 55.87 2kgi n ASP 14 Cb 0.60 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 2kgi n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kgi s LYS 15 N -1.64 3.71 -0.12 -1.24 -0.14 -1.26 -4.94 119.74 114.11 2kgi s LYS 15 Ca 0.00 -1.49 0.01 0.00 -1.36 0.00 0.00 55.97 53.13 2kgi s LYS 15 Cb 0.00 -5.32 -0.01 0.00 -1.68 0.00 0.00 37.83 30.82 2kgi s LYS 15 CO 0.00 -2.14 -0.15 0.14 -0.76 0.00 0.00 175.35 172.44 2kgi s VAL 16 N 4.30 2.86 0.07 3.17 -7.23 -1.26 -5.12 120.40 117.19 2kgi s VAL 16 Ca 0.46 -0.74 0.05 0.00 -1.81 0.00 0.00 61.98 59.94 2kgi s VAL 16 Cb 0.00 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2kgi s VAL 16 CO -0.05 0.53 -0.04 -1.81 -0.31 0.00 0.00 175.10 173.42 2kgi s ASP 17 N 0.29 4.77 0.19 4.85 1.01 -1.26 -5.11 116.67 121.41 2kgi s ASP 17 Ca -0.11 -0.22 0.07 0.00 0.71 0.00 0.00 52.55 52.99 2kgi s ASP 17 Cb -0.16 -1.08 -0.05 0.00 1.01 0.00 0.00 42.92 42.65 2kgi s ASP 17 CO 0.06 0.20 -0.13 0.26 0.21 0.00 0.00 175.17 175.78 2kgi s TRP 18 N -1.21 1.61 -0.00 4.23 0.52 -1.25 -3.35 118.94 119.49 2kgi s TRP 18 Ca 0.22 -0.63 -0.01 0.00 0.02 0.00 0.00 56.10 55.70 2kgi s TRP 18 Cb -0.11 -0.78 -0.00 0.00 -1.15 0.00 0.00 33.47 31.43 2kgi s TRP 18 CO 0.14 0.28 0.02 0.08 0.02 0.00 0.00 176.95 177.49 2kgi s VAL 19 N -3.07 0.01 -0.10 4.03 1.01 1.60 -4.78 120.40 119.10 2kgi s VAL 19 Ca 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 2kgi s VAL 19 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 36.38 36.29 2kgi s VAL 19 CO 0.06 -0.05 -0.02 -1.58 0.00 0.00 0.00 175.10 173.51 2kgi s GLN 20 N -0.15 3.15 0.33 2.72 0.74 -1.26 0.08 119.66 125.27 2kgi s GLN 20 Ca -0.02 -0.45 -0.28 0.00 0.05 0.00 0.00 55.36 54.66 2kgi s GLN 20 Cb -0.01 -2.81 -0.10 0.00 1.10 0.00 0.00 33.01 31.19 2kgi s GLN 20 CO -0.00 0.57 1.22 0.00 -0.55 0.00 0.00 175.29 176.53 2kgi n ASP 22 N 0.78 3.80 -0.49 0.00 8.00 0.14 -3.91 116.55 124.87 2kgi n ASP 22 Ca 0.00 -2.94 0.05 0.00 0.71 0.00 0.00 54.79 52.62 2kgi n ASP 22 Cb 0.43 -0.52 0.13 0.00 -0.02 0.00 0.00 41.12 41.15 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 -0.43 3.21 0.00 0.44 0.00 -1.26 -4.95 105.19 102.21 2kgi n GLY 23 Ca 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.06 3.59 0.18 -0.02 0.00 -1.26 -4.80 105.19 102.81 2kgi n GLY 24 Ca 0.11 -0.61 0.14 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 -2.52 -1.91 -4.86 0.00 8.00 -1.25 -4.93 116.55 109.07 2kgi n ASP 26 Ca 0.02 0.37 -0.24 0.00 0.71 0.00 0.00 54.79 55.65 2kgi n ASP 26 Cb 0.27 -1.75 -0.04 0.00 -0.02 0.00 0.00 41.12 39.58 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 -4.78 3.09 0.03 -1.24 2.02 -1.26 -4.76 118.70 111.80 2kgi s GLU 27 Ca 0.00 -0.87 -0.18 0.00 0.02 0.00 0.00 54.97 53.94 2kgi s GLU 27 Cb 0.00 -2.71 -0.06 0.00 0.10 0.00 0.00 34.13 31.46 2kgi s GLU 27 CO 0.00 0.45 0.51 -1.58 0.02 0.00 0.00 175.26 174.67 2kgi s TRP 28 N -1.92 3.75 0.34 1.61 0.52 -1.26 -2.09 118.94 119.89 2kgi s TRP 28 Ca 0.33 1.15 0.03 0.00 0.02 0.00 0.00 56.10 57.63 2kgi s TRP 28 Cb -0.09 -2.44 -0.05 0.00 -1.15 0.00 0.00 33.47 29.74 2kgi s TRP 28 CO 0.26 0.56 0.09 -0.59 0.02 0.00 0.00 176.95 177.28 2kgi s PHE 29 N -0.90 1.83 -0.09 -1.98 -0.71 0.11 -1.13 117.98 115.10 2kgi s PHE 29 Ca 0.27 -1.11 -0.05 0.00 -1.04 0.00 0.00 56.93 55.00 2kgi s PHE 29 Cb -0.18 -1.17 -0.04 0.00 -1.21 0.00 0.00 43.02 40.42 2kgi s PHE 29 CO 0.16 -0.16 0.10 -1.01 -1.34 0.00 0.00 175.22 172.98 2kgi s HIS 30 N -3.35 3.46 0.22 3.49 3.76 0.52 0.25 115.29 123.65 2kgi s HIS 30 Ca 0.32 0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 55.53 2kgi s HIS 30 Cb 0.06 -1.88 0.31 0.00 1.11 0.00 0.00 32.58 32.18 2kgi s HIS 30 CO 0.15 0.65 1.64 1.96 -0.85 0.00 0.00 174.74 178.29 2kgi h GLN 31 N 4.87 0.05 -0.06 1.40 1.08 -1.48 -1.57 115.11 119.40 2kgi h GLN 31 Ca -0.53 -0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 56.53 2kgi h GLN 31 Cb 1.21 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 2kgi h GLN 31 CO 0.58 0.03 -0.56 -0.39 -0.95 0.00 0.00 178.83 177.55 2kgi h VAL 32 N 0.05 1.38 0.00 -0.54 -1.51 -1.88 0.33 116.25 114.07 2kgi h VAL 32 Ca 0.34 -1.88 -0.04 0.00 -1.23 0.00 0.00 66.70 63.89 2kgi h VAL 32 Cb 0.55 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 2kgi h VAL 32 CO -0.64 0.55 -0.57 0.00 -1.23 0.00 0.00 177.57 175.69 2kgi n VAL 34 N -2.97 1.51 -3.32 0.00 3.14 -0.87 -4.81 118.33 111.01 2kgi n VAL 34 Ca 0.01 -1.34 -0.17 0.00 -2.96 0.00 0.00 64.34 59.88 2kgi n VAL 34 Cb 0.61 0.20 0.08 0.00 -1.06 0.00 0.00 33.84 33.67 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 0.10 -0.30 3.92 7.55 0.00 -1.09 -4.89 105.19 110.49 2kgi n GLY 35 Ca 0.15 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.31 5.39 0.02 1.61 1.01 0.11 -5.04 120.40 120.20 2kgi s VAL 36 Ca 0.12 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2kgi s VAL 36 Cb -0.05 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2kgi s VAL 36 CO 0.65 0.15 -0.13 -0.44 0.00 0.00 0.00 175.10 175.33 2kgi s SER 37 N -2.47 4.16 0.34 3.32 0.01 -1.26 -4.54 113.70 113.26 2kgi s SER 37 Ca 0.35 -0.30 0.13 0.00 1.31 0.00 0.00 55.95 57.44 2kgi s SER 37 Cb -0.13 -0.82 1.10 0.00 0.21 0.00 0.00 66.02 66.38 2kgi s SER 37 CO 0.27 0.27 1.60 1.55 0.41 0.00 0.00 173.24 177.34 2kgi h PRO 38 N 4.54 0.08 -0.88 12.44 0.13 -1.99 0.17 132.00 146.49 2kgi h PRO 38 Ca -0.48 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2kgi h PRO 38 Cb 1.16 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 2kgi h PRO 38 CO 0.50 0.05 0.49 0.93 -0.23 0.00 0.00 178.00 179.75 2kgi h GLU 39 N 0.08 1.22 0.01 0.86 5.08 -1.98 -2.50 114.58 117.35 2kgi h GLU 39 Ca 0.74 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.96 2kgi h GLU 39 Cb 1.80 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.81 2kgi h GLU 39 CO -0.76 0.89 -0.00 0.52 -1.00 0.00 0.00 179.01 178.65 2kgi h MET 40 N 1.23 -0.01 -0.17 2.33 2.86 -1.03 -2.23 114.93 117.91 2kgi h MET 40 Ca 0.31 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.75 2kgi h MET 40 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2kgi h MET 40 CO -0.05 0.60 -0.70 0.00 1.06 0.00 0.00 176.91 177.82 2kgi h ALA 41 N 0.36 0.44 0.00 6.32 0.00 -1.50 -0.27 119.26 124.61 2kgi h ALA 41 Ca -0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 2kgi h ALA 41 Cb 0.61 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2kgi h ALA 41 CO 0.00 0.70 -0.97 0.93 0.00 0.00 0.00 179.25 179.91 2kgi h GLU 42 N 0.50 0.00 0.05 0.00 5.08 -1.56 -3.37 114.58 115.29 2kgi h GLU 42 Ca -0.03 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.97 2kgi h GLU 42 Cb 1.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 2kgi h GLU 42 CO 0.14 0.65 -2.12 0.09 -1.00 0.00 0.00 179.01 176.78 2kgi n ASN 43 N -3.20 1.54 -4.33 1.42 4.13 -0.84 -4.99 115.26 108.99 2kgi n ASN 43 Ca -0.03 0.13 -0.19 0.00 1.68 0.00 0.00 54.58 56.18 2kgi n ASN 43 Cb 0.87 -0.33 -0.10 0.00 -1.54 0.00 0.00 39.78 38.68 2kgi n ASN 43 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2kgi s GLU 44 N -2.55 1.29 0.19 3.52 2.02 -0.12 -5.06 118.70 118.00 2kgi s GLU 44 Ca -0.20 -1.53 -0.32 0.00 0.02 0.00 0.00 54.97 52.94 2kgi s GLU 44 Cb 0.07 -1.13 -0.11 0.00 0.10 0.00 0.00 34.13 33.07 2kgi s GLU 44 CO 0.75 0.20 1.62 -0.51 0.02 0.00 0.00 175.26 177.33 2kgi s ASP 45 N -3.14 6.50 -0.10 -0.19 1.11 -1.26 -4.34 116.67 115.24 2kgi s ASP 45 Ca 0.20 2.73 -0.02 0.00 0.18 0.00 0.00 52.55 55.64 2kgi s ASP 45 Cb -0.02 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 2kgi s ASP 45 CO 0.06 -0.88 -0.01 -0.47 1.18 0.00 0.00 175.17 175.05 2kgi s TYR 46 N 1.02 3.10 -0.14 4.23 5.04 -1.26 -4.94 117.35 124.40 2kgi s TYR 46 Ca 0.71 0.05 0.02 0.00 -2.44 0.00 0.00 57.07 55.41 2kgi s TYR 46 Cb -0.46 -1.83 0.00 0.00 0.35 0.00 0.00 41.96 40.02 2kgi s TYR 46 CO 0.33 0.32 -0.19 0.42 -1.34 0.00 0.00 175.55 175.09 2kgi s ILE 47 N -0.52 2.33 0.78 3.14 -1.09 -1.26 0.23 121.20 124.81 2kgi s ILE 47 Ca 0.09 -0.89 -0.12 0.00 -2.23 0.00 0.00 60.65 57.50 2kgi s ILE 47 Cb -0.12 -1.95 0.06 0.00 -1.58 0.00 0.00 42.46 38.87 2kgi s ILE 47 CO 0.02 0.54 1.10 0.00 -1.23 0.00 0.00 174.94 175.37 2kgi h ILE 49 N -0.99 0.19 -0.31 0.00 -0.00 -2.00 -1.67 117.51 112.74 2kgi h ILE 49 Ca -0.47 -0.38 -0.15 0.00 -0.00 0.00 0.00 64.86 63.87 2kgi h ILE 49 Cb 1.27 1.31 -0.01 0.00 -0.00 0.00 0.00 36.82 39.39 2kgi h ILE 49 CO 0.61 0.04 -0.40 0.78 -0.00 0.00 0.00 178.15 179.18 2kgi h ASN 50 N 0.00 0.78 0.15 2.16 2.35 -2.01 -2.91 115.58 116.12 2kgi h ASN 50 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2kgi h ASN 50 Cb 0.30 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2kgi h ASN 50 CO 0.01 1.09 -0.40 0.00 -1.65 0.00 0.00 177.43 176.47