#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 3.66 0.50 0.44 1.01 -1.26 -4.34 120.40 120.41 2kgi s VAL 2 Ca 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2kgi s VAL 2 Cb 0.00 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 2kgi s VAL 2 CO 0.00 0.49 0.15 0.00 0.00 0.00 0.00 175.10 175.74 2kgi s ALA 4 N -2.80 3.84 0.23 0.00 0.00 -1.07 -5.00 121.76 116.95 2kgi s ALA 4 Ca 0.20 -2.92 -0.02 0.00 0.00 0.00 0.00 51.96 49.22 2kgi s ALA 4 Cb 0.01 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2kgi s ALA 4 CO 0.12 -2.23 0.22 0.00 0.00 0.00 0.00 175.76 173.87 2kgi s ALA 5 N 1.02 1.02 -0.54 0.00 0.00 -1.26 -4.74 121.76 117.26 2kgi s ALA 5 Ca 0.13 -1.61 0.22 0.00 0.00 0.00 0.00 51.96 50.70 2kgi s ALA 5 Cb -0.18 1.34 -0.14 0.00 0.00 0.00 0.00 23.12 24.13 2kgi s ALA 5 CO -0.03 -0.65 0.83 1.04 0.00 0.00 0.00 175.76 176.94 2kgi n GLN 6 N -0.35 0.33 -0.11 0.00 6.02 -1.26 -4.14 117.38 117.87 2kgi n GLN 6 Ca 0.02 -0.06 0.01 0.00 -0.01 0.00 0.00 57.00 56.96 2kgi n GLN 6 Cb 0.65 -1.55 0.01 0.00 1.02 0.00 0.00 30.24 30.37 2kgi n GLN 6 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2kgi n ASN 7 N -1.94 0.74 -4.69 1.08 5.15 -1.26 -5.08 115.26 109.26 2kgi n ASN 7 Ca 0.01 -1.66 -0.44 0.00 -0.60 0.00 0.00 54.58 51.88 2kgi n ASN 7 Cb 0.45 -0.08 -0.03 0.00 -0.53 0.00 0.00 39.78 39.59 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 -0.31 2.84 -0.43 0.00 -0.21 -1.26 -5.04 119.66 115.25 2kgi s GLN 9 Ca 0.68 -0.79 -0.28 0.00 0.02 0.00 0.00 55.36 55.00 2kgi s GLN 9 Cb -0.62 -2.30 -0.02 0.00 1.00 0.00 0.00 33.01 31.07 2kgi s GLN 9 CO 0.48 -0.00 1.87 1.03 -2.12 0.00 0.00 175.29 176.55 2kgi s ARG 10 N 0.80 3.02 -0.10 2.91 0.52 -1.26 -4.89 118.95 119.95 2kgi s ARG 10 Ca -0.08 1.18 -0.06 0.00 -0.52 0.00 0.00 55.73 56.25 2kgi s ARG 10 Cb -0.16 -4.29 -0.02 0.00 0.52 0.00 0.00 34.95 31.00 2kgi s ARG 10 CO -0.01 -2.24 -0.12 -1.00 0.02 0.00 0.00 175.30 171.95 2kgi h PRO 11 N 14.07 0.00 -0.37 3.54 0.13 -1.99 -3.48 132.00 143.90 2kgi h PRO 11 Ca -0.31 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.66 2kgi h PRO 11 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 2kgi h PRO 11 CO 1.10 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 178.72 2kgi n LYS 13 N -1.02 -1.89 -0.28 0.00 5.02 -1.26 -4.88 118.16 113.85 2kgi n LYS 13 Ca -0.08 -0.54 0.10 0.00 -2.02 0.00 0.00 58.31 55.78 2kgi n LYS 13 Cb 0.48 -1.69 0.26 0.00 -0.02 0.00 0.00 35.03 34.05 2kgi n LYS 13 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2kgi h ASP 14 N -2.25 0.15 -3.83 4.39 5.19 -2.07 -3.40 116.42 114.61 2kgi h ASP 14 Ca -0.50 0.16 -0.12 0.00 -0.62 0.00 0.00 57.03 55.95 2kgi h ASP 14 Cb 1.28 0.18 -0.24 0.00 0.18 0.00 0.00 39.33 40.73 2kgi h ASP 14 CO 0.35 -0.04 -0.24 -0.54 -3.12 0.00 0.00 179.24 175.65 2kgi s LYS 15 N -5.96 0.47 0.06 3.56 1.02 -1.26 -5.18 119.74 112.45 2kgi s LYS 15 Ca -0.12 0.58 0.01 0.00 0.02 0.00 0.00 55.97 56.46 2kgi s LYS 15 Cb 0.24 0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.73 2kgi s LYS 15 CO 0.77 -0.07 -0.05 0.14 -0.92 0.00 0.00 175.35 175.22 2kgi s VAL 16 N 0.32 0.44 0.58 3.17 -7.23 -1.26 -5.09 120.40 111.33 2kgi s VAL 16 Ca -0.01 -1.48 -0.08 0.00 -1.81 0.00 0.00 61.98 58.60 2kgi s VAL 16 Cb -0.03 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.81 2kgi s VAL 16 CO -0.01 -0.69 0.94 -1.81 -0.31 0.00 0.00 175.10 173.22 2kgi s ASP 17 N -2.31 5.98 0.16 4.85 1.01 -1.26 -5.09 116.67 120.01 2kgi s ASP 17 Ca -0.01 1.07 -0.13 0.00 0.71 0.00 0.00 52.55 54.20 2kgi s ASP 17 Cb -0.01 -2.16 0.01 0.00 1.01 0.00 0.00 42.92 41.77 2kgi s ASP 17 CO -0.04 -0.89 0.38 0.26 0.21 0.00 0.00 175.17 175.09 2kgi s TRP 18 N -3.03 0.09 0.03 4.23 0.52 -1.26 -3.84 118.94 115.68 2kgi s TRP 18 Ca 0.53 -0.45 -0.03 0.00 0.02 0.00 0.00 56.10 56.17 2kgi s TRP 18 Cb -0.11 0.15 -0.02 0.00 -1.15 0.00 0.00 33.47 32.35 2kgi s TRP 18 CO 0.49 -0.77 0.03 0.08 0.02 0.00 0.00 176.95 176.80 2kgi s VAL 19 N -3.90 0.13 -0.02 4.03 1.01 0.64 -4.74 120.40 117.56 2kgi s VAL 19 Ca 0.11 -1.10 0.07 0.00 0.00 0.00 0.00 61.98 61.07 2kgi s VAL 19 Cb 0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 2kgi s VAL 19 CO -0.04 -0.60 -0.25 -1.58 0.00 0.00 0.00 175.10 172.63 2kgi s GLN 20 N -2.25 2.09 -0.52 2.72 -0.44 -1.26 -1.18 119.66 118.81 2kgi s GLN 20 Ca -0.08 -0.89 -0.27 0.00 -2.50 0.00 0.00 55.36 51.62 2kgi s GLN 20 Cb -0.04 -1.98 0.03 0.00 -1.64 0.00 0.00 33.01 29.39 2kgi s GLN 20 CO -0.03 0.51 1.06 0.00 0.50 0.00 0.00 175.29 177.33 2kgi n ASP 22 N 7.79 1.83 0.00 0.00 8.00 0.06 -3.32 116.55 130.91 2kgi n ASP 22 Ca 0.07 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.47 2kgi n ASP 22 Cb 0.49 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 0.72 0.31 0.61 0.44 0.00 -1.26 -4.90 105.19 101.10 2kgi n GLY 23 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.94 -1.42 0.23 -0.02 0.00 -1.26 -4.99 105.19 98.67 2kgi n GLY 24 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.22 -4.07 -4.92 0.00 5.68 -1.21 -5.03 116.55 102.78 2kgi n ASP 26 Ca -0.01 0.13 -0.20 0.00 -0.50 0.00 0.00 54.79 54.21 2kgi n ASP 26 Cb 0.31 -2.02 0.06 0.00 -1.14 0.00 0.00 41.12 38.33 2kgi n ASP 26 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2kgi s GLU 27 N -1.97 2.29 -0.01 0.11 2.02 -1.26 -4.78 118.70 115.10 2kgi s GLU 27 Ca 0.00 -1.25 -0.01 0.00 0.02 0.00 0.00 54.97 53.73 2kgi s GLU 27 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 2kgi s GLU 27 CO 0.00 -0.87 0.09 -1.58 0.02 0.00 0.00 175.26 172.92 2kgi s TRP 28 N -2.75 3.31 0.06 1.61 0.52 -1.26 -2.04 118.94 118.39 2kgi s TRP 28 Ca 0.61 0.22 0.01 0.00 0.02 0.00 0.00 56.10 56.96 2kgi s TRP 28 Cb -0.07 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 2kgi s TRP 28 CO 0.39 0.56 -0.05 -0.06 0.02 0.00 0.00 176.95 177.81 2kgi s PHE 29 N -1.21 0.62 0.89 -1.98 0.08 -0.32 -2.61 117.98 113.45 2kgi s PHE 29 Ca 0.23 -0.75 -0.12 0.00 0.12 0.00 0.00 56.93 56.41 2kgi s PHE 29 Cb -0.12 -0.39 0.12 0.00 -0.57 0.00 0.00 43.02 42.07 2kgi s PHE 29 CO 0.14 -0.19 1.09 -1.01 -0.10 0.00 0.00 175.22 175.16 2kgi s HIS 30 N -2.60 2.38 -0.10 0.36 3.76 0.46 0.10 115.29 119.65 2kgi s HIS 30 Ca -0.01 1.21 -0.22 0.00 -0.15 0.00 0.00 55.06 55.89 2kgi s HIS 30 Cb -0.02 -3.17 -0.18 0.00 1.11 0.00 0.00 32.58 30.32 2kgi s HIS 30 CO -0.04 -2.34 0.71 1.96 -0.85 0.00 0.00 174.74 174.19 2kgi h GLN 31 N -1.51 -0.05 -0.30 1.40 4.20 -1.56 -3.18 115.11 114.11 2kgi h GLN 31 Ca -0.49 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.23 2kgi h GLN 31 Cb 1.29 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 2kgi h GLN 31 CO 0.56 0.57 0.20 -0.39 -0.67 0.00 0.00 178.83 179.10 2kgi h VAL 32 N -0.91 1.07 0.02 -0.54 -1.51 -1.90 0.13 116.25 112.61 2kgi h VAL 32 Ca -0.01 -0.13 -0.04 0.00 -1.23 0.00 0.00 66.70 65.29 2kgi h VAL 32 Cb 0.65 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 2kgi h VAL 32 CO 0.01 0.07 -0.17 0.00 -1.23 0.00 0.00 177.57 176.25 2kgi h VAL 34 N -0.75 0.00 0.00 0.00 3.04 -1.54 -3.38 116.25 113.63 2kgi h VAL 34 Ca -0.03 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 2kgi h VAL 34 Cb 1.05 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.92 2kgi h VAL 34 CO 0.03 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.20 2kgi n GLY 35 N 0.96 1.15 3.60 3.17 0.00 0.06 -4.92 105.19 109.21 2kgi n GLY 35 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 3.57 0.03 1.61 1.01 0.24 -4.95 120.40 119.92 2kgi s VAL 36 Ca 0.00 0.58 -0.32 0.00 0.00 0.00 0.00 61.98 62.24 2kgi s VAL 36 Cb 0.00 -3.78 -0.11 0.00 0.00 0.00 0.00 36.38 32.49 2kgi s VAL 36 CO 0.00 -0.50 1.88 -1.20 0.00 0.00 0.00 175.10 175.28 2kgi n SER 37 N 9.94 3.83 0.17 3.32 7.64 -1.26 -4.37 113.62 132.89 2kgi n SER 37 Ca 0.21 0.96 0.18 0.00 1.01 0.00 0.00 58.87 61.23 2kgi n SER 37 Cb 0.47 -1.48 0.79 0.00 -1.01 0.00 0.00 64.21 62.99 2kgi n SER 37 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2kgi h PRO 38 N 9.26 0.00 0.41 1.43 0.13 -1.94 0.62 132.00 141.90 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 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kgi h PRO 38 CO 0.94 0.00 -0.19 1.49 -0.23 0.00 0.00 178.00 180.01 2kgi h GLU 39 N 0.00 -0.52 0.20 0.86 4.57 -1.98 -2.43 114.58 115.28 2kgi h GLU 39 Ca 0.12 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 2kgi h GLU 39 Cb 0.62 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2kgi h GLU 39 CO -0.00 -0.26 -0.10 0.52 -1.18 0.00 0.00 179.01 177.99 2kgi h MET 40 N -0.71 -0.26 -0.31 1.92 2.86 -1.26 -0.91 114.93 116.25 2kgi h MET 40 Ca -0.06 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2kgi h MET 40 Cb 0.51 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 2kgi h MET 40 CO 0.09 -0.10 0.19 0.00 1.06 0.00 0.00 176.91 178.15 2kgi h ALA 41 N 0.42 1.74 -0.00 6.32 0.00 -1.55 -0.59 119.26 125.61 2kgi h ALA 41 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kgi h ALA 41 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kgi h ALA 41 CO 0.05 0.23 -0.39 0.39 0.00 0.00 0.00 179.25 179.53 2kgi n GLU 42 N -4.47 0.19 0.00 0.00 1.02 -0.92 -4.52 120.64 111.94 2kgi n GLU 42 Ca 0.02 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2kgi n GLU 42 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2kgi n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kgi n ASN 43 N -1.32 0.00 -3.80 1.62 3.02 -0.33 -5.06 115.26 109.40 2kgi n ASN 43 Ca 0.07 0.10 -0.13 0.00 -0.03 0.00 0.00 54.58 54.59 2kgi n ASN 43 Cb 0.33 -0.18 -0.13 0.00 -0.61 0.00 0.00 39.78 39.19 2kgi n ASN 43 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kgi s GLU 44 N -0.35 0.11 0.00 3.52 2.02 -0.62 -5.06 118.70 118.31 2kgi s GLU 44 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.22 2kgi s GLU 44 Cb 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.20 2kgi s GLU 44 CO 0.00 -0.07 0.00 -0.25 0.02 0.00 0.00 175.26 174.96 2kgi n ASP 45 N 3.45 0.00 -4.48 -0.19 9.92 -1.26 -4.67 116.55 119.31 2kgi n ASP 45 Ca -0.18 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.65 2kgi n ASP 45 Cb 0.56 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.97 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 0.00 3.12 0.11 1.24 5.04 -1.26 -4.88 117.35 120.71 2kgi s TYR 46 Ca 0.00 -0.34 -0.20 0.00 -2.44 0.00 0.00 57.07 54.09 2kgi s TYR 46 Cb 0.00 -3.16 -0.07 0.00 0.35 0.00 0.00 41.96 39.08 2kgi s TYR 46 CO 0.00 -0.82 0.61 0.42 -1.34 0.00 0.00 175.55 174.42 2kgi s ILE 47 N 2.41 4.68 0.48 3.14 -1.09 -1.26 -0.76 121.20 128.79 2kgi s ILE 47 Ca 0.15 1.26 -0.02 0.00 -2.23 0.00 0.00 60.65 59.81 2kgi s ILE 47 Cb -0.17 -3.92 -0.01 0.00 -1.58 0.00 0.00 42.46 36.78 2kgi s ILE 47 CO 0.14 0.49 0.74 0.00 -1.23 0.00 0.00 174.94 175.08 2kgi n ILE 49 N -2.20 -0.43 0.06 0.00 -5.35 -1.26 -0.14 119.36 110.03 2kgi n ILE 49 Ca 0.01 2.08 -0.03 0.00 -0.27 0.00 0.00 62.75 64.54 2kgi n ILE 49 Cb 0.57 -2.80 0.21 0.00 -1.74 0.00 0.00 39.64 35.88 2kgi n ILE 49 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2kgi h ASN 50 N 0.00 0.36 0.16 7.28 2.35 -2.00 -3.14 115.58 120.59 2kgi h ASN 50 Ca 0.36 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2kgi h ASN 50 Cb 0.58 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2kgi h ASN 50 CO -0.90 0.69 -0.08 0.00 -1.65 0.00 0.00 177.43 175.49