#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 3.94 0.50 0.44 1.01 -1.26 -4.49 120.40 120.53 2kgi s VAL 2 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2kgi s VAL 2 Cb 0.00 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 2kgi s VAL 2 CO 0.00 0.52 0.15 0.00 0.00 0.00 0.00 175.10 175.77 2kgi n ALA 4 N -1.38 5.07 -2.67 0.00 0.00 0.63 -4.95 120.51 117.21 2kgi n ALA 4 Ca -0.10 -4.78 -0.32 0.00 0.00 0.00 0.00 53.44 48.23 2kgi n ALA 4 Cb 0.66 -2.04 -0.09 0.00 0.00 0.00 0.00 19.45 17.98 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 3.23 0.16 0.00 0.00 -1.26 -4.78 121.76 116.20 2kgi s ALA 5 Ca 0.34 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 2kgi s ALA 5 Cb 0.09 -1.27 0.10 0.00 0.00 0.00 0.00 23.12 22.04 2kgi s ALA 5 CO 0.06 0.65 1.72 1.96 0.00 0.00 0.00 175.76 180.15 2kgi h GLN 6 N 4.22 0.19 -2.54 0.00 4.20 -1.92 -3.13 115.11 116.14 2kgi h GLN 6 Ca -0.49 -0.01 -0.74 0.00 0.06 0.00 0.00 58.65 57.47 2kgi h GLN 6 Cb 1.17 -0.04 -0.32 0.00 0.30 0.00 0.00 27.48 28.59 2kgi h GLN 6 CO 0.57 0.13 0.39 -1.71 -0.67 0.00 0.00 178.83 177.54 2kgi n ASN 7 N -5.10 5.87 -4.88 1.46 2.85 -1.26 -5.01 115.26 109.19 2kgi n ASN 7 Ca 0.03 -3.52 -0.36 0.00 -0.11 0.00 0.00 54.58 50.62 2kgi n ASN 7 Cb 0.18 -1.04 -0.06 0.00 1.24 0.00 0.00 39.78 40.11 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 -1.31 2.28 -0.42 0.00 -0.21 -1.26 -5.09 119.66 113.64 2kgi s GLN 9 Ca 0.21 -0.85 -0.22 0.00 0.02 0.00 0.00 55.36 54.52 2kgi s GLN 9 Cb -0.13 -2.27 0.02 0.00 1.00 0.00 0.00 33.01 31.63 2kgi s GLN 9 CO 0.10 0.58 0.73 1.03 -2.12 0.00 0.00 175.29 175.61 2kgi s ARG 10 N -1.07 3.46 -0.06 2.91 0.52 -1.26 -4.94 118.95 118.50 2kgi s ARG 10 Ca 0.13 -0.08 -0.17 0.00 -0.52 0.00 0.00 55.73 55.09 2kgi s ARG 10 Cb -0.11 -3.91 -0.12 0.00 0.52 0.00 0.00 34.95 31.34 2kgi s ARG 10 CO 0.03 -1.00 0.66 -1.00 0.02 0.00 0.00 175.30 174.01 2kgi h PRO 11 N 8.82 -0.22 -0.97 3.54 0.13 -2.00 -3.47 132.00 137.83 2kgi h PRO 11 Ca -0.25 0.02 -0.33 0.00 -0.87 0.00 0.00 66.00 64.57 2kgi h PRO 11 Cb 1.09 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.14 2kgi h PRO 11 CO 0.92 0.14 -0.30 0.00 -0.23 0.00 0.00 178.00 178.53 2kgi s LYS 13 N -3.32 0.71 0.03 0.00 2.20 -1.26 -4.99 119.74 113.12 2kgi s LYS 13 Ca 0.00 0.05 -0.09 0.00 -0.36 0.00 0.00 55.97 55.56 2kgi s LYS 13 Cb 0.00 -1.81 -0.03 0.00 -1.51 0.00 0.00 37.83 34.47 2kgi s LYS 13 CO 0.00 -2.44 1.15 -0.44 -0.36 0.00 0.00 175.35 173.26 2kgi h ASP 14 N -1.67 -0.50 -3.31 1.43 5.19 -2.06 -3.38 116.42 112.12 2kgi h ASP 14 Ca -0.48 0.06 -0.66 0.00 -0.62 0.00 0.00 57.03 55.34 2kgi h ASP 14 Cb 1.30 0.20 -0.28 0.00 0.18 0.00 0.00 39.33 40.73 2kgi h ASP 14 CO 0.52 -0.13 -0.76 -0.54 -3.12 0.00 0.00 179.24 175.21 2kgi s LYS 15 N -3.74 3.33 0.02 3.56 3.01 -1.26 -5.10 119.74 119.56 2kgi s LYS 15 Ca -0.04 -0.68 0.05 0.00 -1.01 0.00 0.00 55.97 54.28 2kgi s LYS 15 Cb 0.02 -2.75 -0.02 0.00 -1.01 0.00 0.00 37.83 34.07 2kgi s LYS 15 CO 0.17 0.02 -0.14 0.14 0.51 0.00 0.00 175.35 176.05 2kgi s VAL 16 N 0.85 1.10 -0.00 3.17 -7.23 -1.26 -5.06 120.40 111.97 2kgi s VAL 16 Ca -0.03 -0.84 -0.08 0.00 -1.81 0.00 0.00 61.98 59.22 2kgi s VAL 16 Cb -0.15 -0.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.78 2kgi s VAL 16 CO 0.00 0.12 0.28 -1.81 -0.31 0.00 0.00 175.10 173.38 2kgi s ASP 17 N -0.83 6.53 0.24 4.85 1.01 -1.26 -5.10 116.67 122.11 2kgi s ASP 17 Ca 0.03 0.61 0.07 0.00 0.71 0.00 0.00 52.55 53.97 2kgi s ASP 17 Cb -0.07 -2.11 -0.05 0.00 1.01 0.00 0.00 42.92 41.70 2kgi s ASP 17 CO 0.01 0.27 -0.09 0.26 0.21 0.00 0.00 175.17 175.83 2kgi s TRP 18 N -1.25 1.80 -0.00 4.23 0.52 -1.25 -3.57 118.94 119.42 2kgi s TRP 18 Ca 0.26 -0.67 -0.03 0.00 0.02 0.00 0.00 56.10 55.68 2kgi s TRP 18 Cb -0.13 -0.96 -0.00 0.00 -1.15 0.00 0.00 33.47 31.22 2kgi s TRP 18 CO 0.14 0.27 0.05 0.08 0.02 0.00 0.00 176.95 177.52 2kgi s VAL 19 N -3.04 0.06 -0.09 4.03 1.01 1.71 -4.76 120.40 119.31 2kgi s VAL 19 Ca 0.26 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 2kgi s VAL 19 Cb 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2kgi s VAL 19 CO 0.09 -0.28 0.02 -1.58 0.00 0.00 0.00 175.10 173.36 2kgi s GLN 20 N -0.88 3.08 -0.27 2.72 -0.44 -1.26 -0.17 119.66 122.44 2kgi s GLN 20 Ca -0.10 -0.36 -0.27 0.00 -2.50 0.00 0.00 55.36 52.13 2kgi s GLN 20 Cb -0.06 -2.86 0.01 0.00 -1.64 0.00 0.00 33.01 28.45 2kgi s GLN 20 CO 0.00 0.70 0.95 0.00 0.50 0.00 0.00 175.29 177.44 2kgi n ASP 22 N 6.34 2.96 0.00 0.00 8.00 0.53 -3.69 116.55 130.69 2kgi n ASP 22 Ca 0.09 -2.44 0.00 0.00 0.71 0.00 0.00 54.79 53.15 2kgi n ASP 22 Cb 0.47 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 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 0.09 1.32 0.03 0.44 0.00 -1.26 -4.96 105.19 100.86 2kgi n GLY 23 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 3.74 -0.72 0.23 -0.02 0.00 -1.26 -4.59 105.19 102.58 2kgi n GLY 24 Ca 0.00 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.96 0.72 -4.63 0.00 9.92 -1.24 -4.97 116.55 113.39 2kgi n ASP 26 Ca 0.02 -1.05 -0.25 0.00 -0.53 0.00 0.00 54.79 52.98 2kgi n ASP 26 Cb 0.38 -1.31 -0.09 0.00 -0.64 0.00 0.00 41.12 39.46 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 -6.59 2.07 -0.05 -1.24 2.02 -1.26 -4.83 118.70 108.81 2kgi s GLU 27 Ca 0.02 -1.78 -0.13 0.00 0.02 0.00 0.00 54.97 53.10 2kgi s GLU 27 Cb -0.01 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 2kgi s GLU 27 CO 0.82 0.12 0.34 -1.58 0.02 0.00 0.00 175.26 174.98 2kgi s TRP 28 N -2.53 3.66 0.29 1.61 0.52 -1.26 -2.34 118.94 118.88 2kgi s TRP 28 Ca 0.35 0.84 0.02 0.00 0.02 0.00 0.00 56.10 57.33 2kgi s TRP 28 Cb 0.01 -2.23 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 2kgi s TRP 28 CO 0.19 0.59 0.12 -0.59 0.02 0.00 0.00 176.95 177.29 2kgi s PHE 29 N -0.79 1.62 -0.08 -1.98 -0.12 0.76 -0.27 117.98 117.12 2kgi s PHE 29 Ca 0.21 -1.25 -0.04 0.00 -0.05 0.00 0.00 56.93 55.80 2kgi s PHE 29 Cb -0.15 -0.94 -0.04 0.00 -0.63 0.00 0.00 43.02 41.27 2kgi s PHE 29 CO 0.10 -0.38 0.10 -1.01 -0.05 0.00 0.00 175.22 173.98 2kgi s HIS 30 N -3.61 3.43 0.21 3.49 3.76 0.51 0.80 115.29 123.88 2kgi s HIS 30 Ca 0.36 0.37 -0.14 0.00 -0.15 0.00 0.00 55.06 55.50 2kgi s HIS 30 Cb 0.06 -1.86 0.23 0.00 1.11 0.00 0.00 32.58 32.13 2kgi s HIS 30 CO 0.15 0.63 1.62 1.96 -0.85 0.00 0.00 174.74 178.25 2kgi h GLN 31 N 4.78 -0.02 -0.04 1.40 1.08 -1.53 -1.57 115.11 119.20 2kgi h GLN 31 Ca -0.52 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.55 2kgi h GLN 31 Cb 1.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2kgi h GLN 31 CO 0.59 -0.01 -0.54 -0.39 -0.95 0.00 0.00 178.83 177.52 2kgi h VAL 32 N -0.02 1.38 0.00 -0.54 -1.51 -1.89 0.40 116.25 114.07 2kgi h VAL 32 Ca 0.30 -1.85 -0.04 0.00 -1.23 0.00 0.00 66.70 63.89 2kgi h VAL 32 Cb 0.48 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.59 2kgi h VAL 32 CO -0.67 0.54 -0.61 0.00 -1.23 0.00 0.00 177.57 175.60 2kgi n VAL 34 N -2.95 1.50 -3.43 0.00 3.14 -0.83 -4.60 118.33 111.16 2kgi n VAL 34 Ca 0.01 -1.33 -0.18 0.00 -2.96 0.00 0.00 64.34 59.87 2kgi n VAL 34 Cb 0.61 0.21 0.08 0.00 -1.06 0.00 0.00 33.84 33.68 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 0.13 -0.38 3.91 7.55 0.00 -1.05 -4.73 105.19 110.62 2kgi n GLY 35 Ca 0.15 0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.33 5.36 -0.07 1.61 1.01 0.14 -5.03 120.40 120.08 2kgi s VAL 36 Ca 0.17 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 2kgi s VAL 36 Cb -0.07 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2kgi s VAL 36 CO 0.70 0.14 -0.03 -0.44 0.00 0.00 0.00 175.10 175.48 2kgi s SER 37 N -2.50 4.99 0.40 3.32 0.01 -1.26 -4.48 113.70 114.18 2kgi s SER 37 Ca 0.35 0.06 0.21 0.00 1.31 0.00 0.00 55.95 57.87 2kgi s SER 37 Cb -0.13 -1.33 1.17 0.00 0.21 0.00 0.00 66.02 65.93 2kgi s SER 37 CO 0.28 0.36 1.74 -0.65 0.41 0.00 0.00 173.24 175.38 2kgi h PRO 38 N 5.08 0.32 -0.55 12.44 0.11 -1.99 0.12 132.00 147.53 2kgi h PRO 38 Ca -0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2kgi h PRO 38 Cb 1.18 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2kgi h PRO 38 CO 0.54 0.21 0.33 0.93 -0.21 0.00 0.00 178.00 179.80 2kgi h GLU 39 N 0.33 0.75 -0.00 1.05 5.08 -1.98 -2.07 114.58 117.73 2kgi h GLU 39 Ca 0.64 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.93 2kgi h GLU 39 Cb 1.72 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2kgi h GLU 39 CO -0.33 0.54 -0.01 0.52 -1.00 0.00 0.00 179.01 178.74 2kgi h MET 40 N 0.74 0.01 -0.09 2.33 2.86 -1.14 -2.07 114.93 117.57 2kgi h MET 40 Ca 0.20 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.68 2kgi h MET 40 Cb -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2kgi h MET 40 CO -0.04 0.66 -0.58 0.00 1.06 0.00 0.00 176.91 178.01 2kgi h ALA 41 N 0.35 0.85 0.00 6.32 0.00 -1.52 -1.06 119.26 124.20 2kgi h ALA 41 Ca -0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 54.91 54.20 2kgi h ALA 41 Cb 0.66 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2kgi h ALA 41 CO 0.00 0.71 -1.26 0.93 0.00 0.00 0.00 179.25 179.63 2kgi h GLU 42 N 0.22 0.00 0.00 0.00 5.08 -1.47 -3.37 114.58 115.04 2kgi h GLU 42 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2kgi h GLU 42 Cb 1.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2kgi h GLU 42 CO 0.09 0.42 -1.75 0.09 -1.00 0.00 0.00 179.01 176.87 2kgi n ASN 43 N -3.02 0.48 -4.04 1.42 4.13 -0.78 -5.02 115.26 108.43 2kgi n ASN 43 Ca -0.08 0.21 -0.13 0.00 1.68 0.00 0.00 54.58 56.26 2kgi n ASN 43 Cb 0.87 0.75 -0.09 0.00 -1.54 0.00 0.00 39.78 39.76 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 -2.96 1.33 0.16 3.52 2.02 -0.41 -5.06 118.70 117.31 2kgi s GLU 44 Ca -0.06 -1.65 -0.33 0.00 0.02 0.00 0.00 54.97 52.95 2kgi s GLU 44 Cb 0.09 0.30 -0.13 0.00 0.10 0.00 0.00 34.13 34.49 2kgi s GLU 44 CO 0.84 -0.46 1.62 -0.25 0.02 0.00 0.00 175.26 177.02 2kgi n ASP 45 N -0.48 3.28 -4.42 -0.19 9.92 -1.26 -4.44 116.55 118.96 2kgi n ASP 45 Ca 0.02 1.07 -0.33 0.00 -0.53 0.00 0.00 54.79 55.03 2kgi n ASP 45 Cb 0.65 -1.45 -0.13 0.00 -0.64 0.00 0.00 41.12 39.54 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 1.07 2.90 -0.18 1.24 5.04 -1.26 -4.95 117.35 121.22 2kgi s TYR 46 Ca 0.79 -0.52 -0.01 0.00 -2.44 0.00 0.00 57.07 54.89 2kgi s TYR 46 Cb -0.64 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 39.77 2kgi s TYR 46 CO 0.37 -0.15 -0.13 0.42 -1.34 0.00 0.00 175.55 174.72 2kgi s ILE 47 N 0.40 2.73 0.90 3.14 -1.09 -1.26 -0.35 121.20 125.67 2kgi s ILE 47 Ca -0.08 -0.73 -0.12 0.00 -2.23 0.00 0.00 60.65 57.49 2kgi s ILE 47 Cb -0.15 -2.18 0.13 0.00 -1.58 0.00 0.00 42.46 38.68 2kgi s ILE 47 CO 0.04 0.50 1.13 0.00 -1.23 0.00 0.00 174.94 175.38 2kgi h ILE 49 N -1.45 0.62 -0.09 0.00 -0.00 -1.99 -0.64 117.51 113.97 2kgi h ILE 49 Ca -0.50 -0.82 -0.14 0.00 -0.00 0.00 0.00 64.86 63.40 2kgi h ILE 49 Cb 1.33 1.53 -0.01 0.00 -0.00 0.00 0.00 36.82 39.67 2kgi h ILE 49 CO 0.62 0.18 -0.55 0.78 -0.00 0.00 0.00 178.15 179.18 2kgi h ASN 50 N 0.00 0.28 -0.03 2.16 4.21 -1.98 -2.91 115.58 117.31 2kgi h ASN 50 Ca -0.00 -0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.36 2kgi h ASN 50 Cb 0.52 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 2kgi h ASN 50 CO 0.02 0.77 -0.12 0.00 -1.29 0.00 0.00 177.43 176.81