#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 3.90 0.51 2.46 1.01 -1.26 -4.46 120.40 122.56 2kgi s VAL 2 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.52 2kgi s VAL 2 Cb 0.00 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.75 2kgi s VAL 2 CO 0.00 0.51 0.42 0.00 0.00 0.00 0.00 175.10 176.03 2kgi n ALA 4 N -1.74 5.05 -2.73 0.00 0.00 -0.89 -4.91 120.51 115.30 2kgi n ALA 4 Ca 0.01 -4.79 -0.34 0.00 0.00 0.00 0.00 53.44 48.32 2kgi n ALA 4 Cb 0.63 -2.05 -0.11 0.00 0.00 0.00 0.00 19.45 17.92 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 -2.88 3.07 0.26 0.00 0.00 -1.26 -4.89 121.76 116.07 2kgi s ALA 5 Ca 0.33 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 2kgi s ALA 5 Cb 0.08 -1.40 0.52 0.00 0.00 0.00 0.00 23.12 22.31 2kgi s ALA 5 CO 0.07 0.47 1.75 1.96 0.00 0.00 0.00 175.76 180.00 2kgi h GLN 6 N 5.68 0.55 -2.25 0.00 4.20 -1.92 -2.81 115.11 118.55 2kgi h GLN 6 Ca -0.44 -0.03 -0.69 0.00 0.06 0.00 0.00 58.65 57.55 2kgi h GLN 6 Cb 1.18 -0.12 -0.35 0.00 0.30 0.00 0.00 27.48 28.49 2kgi h GLN 6 CO 0.56 0.36 0.10 -1.71 -0.67 0.00 0.00 178.83 177.47 2kgi n ASN 7 N -4.91 5.77 -4.93 1.46 2.85 -1.26 -5.03 115.26 109.21 2kgi n ASN 7 Ca 0.16 -3.69 -0.28 0.00 -0.11 0.00 0.00 54.58 50.66 2kgi n ASN 7 Cb 0.43 -0.82 -0.03 0.00 1.24 0.00 0.00 39.78 40.60 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 -3.04 2.09 -0.56 0.00 -0.21 -1.26 -5.09 119.66 111.59 2kgi s GLN 9 Ca 0.37 -1.03 -0.18 0.00 0.02 0.00 0.00 55.36 54.54 2kgi s GLN 9 Cb -0.12 -2.28 0.11 0.00 1.00 0.00 0.00 33.01 31.73 2kgi s GLN 9 CO 0.28 0.51 0.60 1.03 -2.12 0.00 0.00 175.29 175.59 2kgi s ARG 10 N -2.14 3.02 -0.05 2.91 0.52 -1.26 -4.88 118.95 117.07 2kgi s ARG 10 Ca 0.20 -1.48 -0.19 0.00 -0.52 0.00 0.00 55.73 53.75 2kgi s ARG 10 Cb -0.11 -4.27 -0.13 0.00 0.52 0.00 0.00 34.95 30.96 2kgi s ARG 10 CO 0.13 -1.42 0.78 -1.00 0.02 0.00 0.00 175.30 173.80 2kgi h PRO 11 N 9.04 -0.27 -1.82 3.54 0.13 -1.99 -3.47 132.00 137.14 2kgi h PRO 11 Ca -0.30 0.02 -0.38 0.00 -0.87 0.00 0.00 66.00 64.47 2kgi h PRO 11 Cb 1.09 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 2kgi h PRO 11 CO 1.06 0.08 -0.40 0.00 -0.23 0.00 0.00 178.00 178.52 2kgi s LYS 13 N -4.09 -1.12 0.23 0.00 1.02 -1.26 -4.91 119.74 109.61 2kgi s LYS 13 Ca 0.00 0.52 -0.06 0.00 0.02 0.00 0.00 55.97 56.45 2kgi s LYS 13 Cb 0.00 -1.56 0.38 0.00 -0.52 0.00 0.00 37.83 36.14 2kgi s LYS 13 CO 0.00 -3.77 1.75 -0.44 -0.92 0.00 0.00 175.35 171.97 2kgi h ASP 14 N -2.64 0.32 -3.51 2.83 5.19 -2.06 -3.37 116.42 113.17 2kgi h ASP 14 Ca -0.56 0.09 -0.52 0.00 -0.62 0.00 0.00 57.03 55.42 2kgi h ASP 14 Cb 1.33 0.05 -0.33 0.00 0.18 0.00 0.00 39.33 40.56 2kgi h ASP 14 CO 0.47 0.16 -0.82 -0.54 -3.12 0.00 0.00 179.24 175.39 2kgi s LYS 15 N -6.05 1.68 0.18 3.56 1.02 -1.26 -5.15 119.74 113.73 2kgi s LYS 15 Ca -0.13 -0.44 0.10 0.00 0.02 0.00 0.00 55.97 55.53 2kgi s LYS 15 Cb 0.19 -1.40 -0.04 0.00 -0.52 0.00 0.00 37.83 36.05 2kgi s LYS 15 CO 0.76 0.07 -0.19 0.14 -0.92 0.00 0.00 175.35 175.21 2kgi s VAL 16 N 0.53 2.66 0.09 3.17 -7.23 -1.26 -5.00 120.40 113.36 2kgi s VAL 16 Ca -0.12 -1.87 -0.14 0.00 -1.81 0.00 0.00 61.98 58.04 2kgi s VAL 16 Cb -0.15 -2.28 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 2kgi s VAL 16 CO 0.03 -0.09 0.49 -1.81 -0.31 0.00 0.00 175.10 173.41 2kgi s ASP 17 N -2.67 6.82 0.04 4.85 1.11 -1.26 -5.10 116.67 120.45 2kgi s ASP 17 Ca 0.22 1.02 -0.02 0.00 0.18 0.00 0.00 52.55 53.94 2kgi s ASP 17 Cb -0.08 -2.27 -0.02 0.00 1.07 0.00 0.00 42.92 41.62 2kgi s ASP 17 CO 0.11 0.19 0.02 0.26 1.18 0.00 0.00 175.17 176.93 2kgi s TRP 18 N -1.32 0.32 -0.15 4.23 0.52 -1.24 -4.03 118.94 117.27 2kgi s TRP 18 Ca 0.33 -0.71 -0.14 0.00 0.02 0.00 0.00 56.10 55.60 2kgi s TRP 18 Cb -0.16 -0.24 0.04 0.00 -1.15 0.00 0.00 33.47 31.96 2kgi s TRP 18 CO 0.18 -0.33 0.39 0.08 0.02 0.00 0.00 176.95 177.30 2kgi s VAL 19 N -2.76 -0.00 -0.10 4.03 1.01 0.23 -4.75 120.40 118.06 2kgi s VAL 19 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2kgi s VAL 19 Cb -0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2kgi s VAL 19 CO -0.06 0.00 0.04 -1.58 0.00 0.00 0.00 175.10 173.50 2kgi s GLN 20 N 0.22 3.16 0.17 2.72 0.74 -1.26 -0.39 119.66 125.02 2kgi s GLN 20 Ca -0.00 -0.34 -0.30 0.00 0.05 0.00 0.00 55.36 54.77 2kgi s GLN 20 Cb -0.03 -2.91 -0.07 0.00 1.10 0.00 0.00 33.01 31.10 2kgi s GLN 20 CO 0.00 0.69 0.95 0.00 -0.55 0.00 0.00 175.29 176.38 2kgi n ASP 22 N 2.17 4.22 -0.66 0.00 8.00 0.15 -3.96 116.55 126.47 2kgi n ASP 22 Ca 0.00 -2.14 0.12 0.00 0.71 0.00 0.00 54.79 53.48 2kgi n ASP 22 Cb 0.48 -0.52 0.17 0.00 -0.02 0.00 0.00 41.12 41.22 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 1.52 0.35 0.00 0.44 0.00 -1.26 -4.95 105.19 101.29 2kgi n GLY 23 Ca 0.25 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.34 1.31 0.04 -0.02 0.00 -1.26 -4.85 105.19 101.75 2kgi n GLY 24 Ca 0.13 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.73 -1.15 -4.90 0.00 5.75 -1.25 -4.92 116.55 108.35 2kgi n ASP 26 Ca 0.04 0.14 -0.29 0.00 -0.01 0.00 0.00 54.79 54.67 2kgi n ASP 26 Cb 0.23 -1.38 -0.03 0.00 -1.03 0.00 0.00 41.12 38.91 2kgi n ASP 26 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kgi s GLU 27 N -2.67 3.67 -0.06 0.11 0.41 -1.26 -4.72 118.70 114.19 2kgi s GLU 27 Ca 0.00 0.14 -0.16 0.00 -0.41 0.00 0.00 54.97 54.53 2kgi s GLU 27 Cb 0.00 -2.57 -0.05 0.00 -1.78 0.00 0.00 34.13 29.73 2kgi s GLU 27 CO 0.00 0.14 0.44 -1.58 -0.49 0.00 0.00 175.26 173.77 2kgi s TRP 28 N -2.18 3.62 0.38 1.61 0.52 -1.26 -2.43 118.94 119.22 2kgi s TRP 28 Ca 0.46 0.94 0.04 0.00 0.02 0.00 0.00 56.10 57.56 2kgi s TRP 28 Cb -0.11 -2.42 -0.06 0.00 -1.15 0.00 0.00 33.47 29.74 2kgi s TRP 28 CO 0.30 0.41 0.05 -0.06 0.02 0.00 0.00 176.95 177.67 2kgi s PHE 29 N -0.25 2.08 -0.11 -1.98 0.08 0.47 -2.09 117.98 116.17 2kgi s PHE 29 Ca 0.24 -0.93 -0.10 0.00 0.12 0.00 0.00 56.93 56.27 2kgi s PHE 29 Cb -0.16 -1.44 -0.05 0.00 -0.57 0.00 0.00 43.02 40.80 2kgi s PHE 29 CO 0.12 0.11 0.21 -1.01 -0.10 0.00 0.00 175.22 174.55 2kgi s HIS 30 N -3.07 3.58 0.24 0.36 3.76 0.68 -0.94 115.29 119.91 2kgi s HIS 30 Ca 0.30 0.60 -0.06 0.00 -0.15 0.00 0.00 55.06 55.75 2kgi s HIS 30 Cb 0.07 -2.09 0.45 0.00 1.11 0.00 0.00 32.58 32.12 2kgi s HIS 30 CO 0.14 0.59 1.65 1.96 -0.85 0.00 0.00 174.74 178.24 2kgi h GLN 31 N 5.39 0.14 -0.08 1.40 1.08 -1.69 -1.57 115.11 119.78 2kgi h GLN 31 Ca -0.51 -0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 56.56 2kgi h GLN 31 Cb 1.21 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 2kgi h GLN 31 CO 0.63 0.10 -0.51 -0.39 -0.95 0.00 0.00 178.83 177.71 2kgi h VAL 32 N 0.15 1.35 0.00 -0.54 -1.51 -1.91 0.32 116.25 114.12 2kgi h VAL 32 Ca 0.41 -1.77 -0.10 0.00 -1.23 0.00 0.00 66.70 64.01 2kgi h VAL 32 Cb 0.73 1.87 -0.02 0.00 -2.13 0.00 0.00 31.29 31.74 2kgi h VAL 32 CO -0.61 0.52 -0.81 0.00 -1.23 0.00 0.00 177.57 175.44 2kgi n VAL 34 N -3.02 1.01 -3.33 0.00 3.14 -0.96 -4.69 118.33 110.48 2kgi n VAL 34 Ca -0.02 -1.01 -0.17 0.00 -2.96 0.00 0.00 64.34 60.19 2kgi n VAL 34 Cb 0.72 0.49 0.08 0.00 -1.06 0.00 0.00 33.84 34.07 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 0.98 -0.31 3.89 7.55 0.00 -1.09 -4.71 105.19 111.51 2kgi n GLY 35 Ca 0.17 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 5.17 0.01 1.61 1.01 0.11 -5.04 120.40 119.96 2kgi s VAL 36 Ca 0.15 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.24 2kgi s VAL 36 Cb -0.07 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2kgi s VAL 36 CO 0.65 0.09 -0.05 -0.44 0.00 0.00 0.00 175.10 175.35 2kgi s SER 37 N -2.31 4.76 0.26 3.32 0.01 -1.26 -4.55 113.70 113.92 2kgi s SER 37 Ca 0.39 -0.12 -0.08 0.00 1.31 0.00 0.00 55.95 57.46 2kgi s SER 37 Cb -0.12 -1.14 0.44 0.00 0.21 0.00 0.00 66.02 65.41 2kgi s SER 37 CO 0.23 0.27 1.60 1.55 0.41 0.00 0.00 173.24 177.31 2kgi h PRO 38 N 4.40 0.04 -0.37 12.44 0.13 -1.99 0.17 132.00 146.83 2kgi h PRO 38 Ca -0.49 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2kgi h PRO 38 Cb 1.17 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2kgi h PRO 38 CO 0.55 0.02 0.14 0.93 -0.23 0.00 0.00 178.00 179.41 2kgi h GLU 39 N 0.04 0.51 -0.03 0.86 4.39 -1.98 -2.55 114.58 115.82 2kgi h GLU 39 Ca 0.43 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 2kgi h GLU 39 Cb 0.74 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2kgi h GLU 39 CO -0.80 0.43 -0.06 0.52 -1.16 0.00 0.00 179.01 177.95 2kgi h MET 40 N 0.51 0.08 -0.06 2.33 2.86 -1.03 -2.27 114.93 117.35 2kgi h MET 40 Ca 0.13 -0.06 -0.22 0.00 -2.06 0.00 0.00 59.70 57.49 2kgi h MET 40 Cb 0.11 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.79 2kgi h MET 40 CO -0.01 0.64 -0.86 0.00 1.06 0.00 0.00 176.91 177.74 2kgi h ALA 41 N 0.44 0.37 0.00 6.32 0.00 -1.46 -2.39 119.26 122.54 2kgi h ALA 41 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 2kgi h ALA 41 Cb 0.64 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2kgi h ALA 41 CO 0.01 0.74 -1.37 0.93 0.00 0.00 0.00 179.25 179.57 2kgi h GLU 42 N 0.36 0.00 0.08 0.00 5.08 -1.56 -3.36 114.58 115.18 2kgi h GLU 42 Ca -0.07 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.98 2kgi h GLU 42 Cb 1.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 2kgi h GLU 42 CO 0.16 0.32 -1.68 -0.91 -1.00 0.00 0.00 179.01 175.90 2kgi h ASN 43 N 0.00 0.28 -4.94 1.42 2.35 -1.50 -3.49 115.58 109.70 2kgi h ASN 43 Ca -0.16 -0.48 -0.31 0.00 -0.55 0.00 0.00 56.30 54.79 2kgi h ASN 43 Cb 1.60 -0.09 -0.15 0.00 0.05 0.00 0.00 38.32 39.73 2kgi h ASN 43 CO 0.05 1.42 -0.61 -1.61 -1.65 0.00 0.00 177.43 175.03 2kgi s GLU 44 N -2.60 1.35 0.37 0.81 2.02 -0.90 -5.08 118.70 114.68 2kgi s GLU 44 Ca -0.11 -1.73 -0.28 0.00 0.02 0.00 0.00 54.97 52.87 2kgi s GLU 44 Cb 0.07 -0.04 -0.11 0.00 0.10 0.00 0.00 34.13 34.15 2kgi s GLU 44 CO 0.82 -0.35 1.45 -0.25 0.02 0.00 0.00 175.26 176.96 2kgi n ASP 45 N -0.44 3.59 -4.31 -0.19 9.92 -1.26 -4.36 116.55 119.50 2kgi n ASP 45 Ca 0.01 1.22 -0.33 0.00 -0.53 0.00 0.00 54.79 55.16 2kgi n ASP 45 Cb 0.66 -1.60 -0.15 0.00 -0.64 0.00 0.00 41.12 39.40 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 -1.12 2.79 -0.26 1.24 5.04 -1.26 -4.89 117.35 118.90 2kgi s TYR 46 Ca 0.54 -0.86 -0.03 0.00 -2.44 0.00 0.00 57.07 54.28 2kgi s TYR 46 Cb -0.49 -1.87 0.02 0.00 0.35 0.00 0.00 41.96 39.97 2kgi s TYR 46 CO 0.63 -0.36 -0.03 0.42 -1.34 0.00 0.00 175.55 174.87 2kgi s ILE 47 N 0.62 3.10 0.98 3.14 -1.09 -1.26 0.31 121.20 127.01 2kgi s ILE 47 Ca -0.08 -0.93 -0.12 0.00 -2.23 0.00 0.00 60.65 57.29 2kgi s ILE 47 Cb -0.16 -2.57 0.18 0.00 -1.58 0.00 0.00 42.46 38.33 2kgi s ILE 47 CO 0.03 0.19 1.09 0.00 -1.23 0.00 0.00 174.94 175.02 2kgi h ILE 49 N -1.84 0.00 -0.07 0.00 -0.00 -1.99 -1.52 117.51 112.09 2kgi h ILE 49 Ca -0.53 -0.32 -0.22 0.00 -0.00 0.00 0.00 64.86 63.78 2kgi h ILE 49 Cb 1.32 1.21 0.01 0.00 -0.00 0.00 0.00 36.82 39.37 2kgi h ILE 49 CO 0.56 0.00 -0.82 0.78 -0.00 0.00 0.00 178.15 178.68 2kgi h ASN 50 N 0.00 0.85 0.46 2.16 2.35 -1.99 -3.26 115.58 116.14 2kgi h ASN 50 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 56.30 55.07 2kgi h ASN 50 Cb 0.35 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2kgi h ASN 50 CO 0.00 1.41 -0.53 0.00 -1.65 0.00 0.00 177.43 176.65