#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 4.15 0.50 0.44 1.01 -1.26 -4.67 120.40 120.57 2kgi s VAL 2 Ca 0.00 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.63 2kgi s VAL 2 Cb 0.00 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.63 2kgi s VAL 2 CO 0.00 0.51 0.50 0.00 0.00 0.00 0.00 175.10 176.11 2kgi n ALA 4 N -1.82 4.91 -2.81 0.00 0.00 -0.60 -4.96 120.51 115.23 2kgi n ALA 4 Ca 0.05 -4.79 -0.36 0.00 0.00 0.00 0.00 53.44 48.34 2kgi n ALA 4 Cb 0.63 -1.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.84 3.65 0.23 0.00 0.00 -1.26 -4.85 121.76 116.69 2kgi s ALA 5 Ca 0.35 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 2kgi s ALA 5 Cb 0.10 -1.79 0.30 0.00 0.00 0.00 0.00 23.12 21.72 2kgi s ALA 5 CO 0.05 0.59 1.60 0.37 0.00 0.00 0.00 175.76 178.37 2kgi h GLN 6 N 5.11 -0.02 -2.58 0.00 5.75 -1.93 -2.87 115.11 118.57 2kgi h GLN 6 Ca -0.53 0.00 -0.61 0.00 -0.15 0.00 0.00 58.65 57.37 2kgi h GLN 6 Cb 1.21 0.00 -0.42 0.00 1.07 0.00 0.00 27.48 29.35 2kgi h GLN 6 CO 0.57 -0.01 -0.61 -1.71 -2.65 0.00 0.00 178.83 174.42 2kgi n ASN 7 N -5.50 3.18 -4.90 -0.69 5.15 -1.26 -5.07 115.26 106.17 2kgi n ASN 7 Ca 0.10 -3.28 -0.32 0.00 -0.60 0.00 0.00 54.58 50.48 2kgi n ASN 7 Cb 0.39 -0.70 -0.05 0.00 -0.53 0.00 0.00 39.78 38.89 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 -2.50 2.21 -0.53 0.00 -1.52 -1.26 -5.09 119.66 110.97 2kgi s GLN 9 Ca 0.37 -0.90 -0.20 0.00 -1.95 0.00 0.00 55.36 52.68 2kgi s GLN 9 Cb -0.13 -2.26 0.06 0.00 -0.22 0.00 0.00 33.01 30.46 2kgi s GLN 9 CO 0.25 0.56 0.71 1.03 -0.25 0.00 0.00 175.29 177.58 2kgi s ARG 10 N -1.35 3.15 -0.06 2.91 0.52 -1.26 -4.92 118.95 117.93 2kgi s ARG 10 Ca 0.15 -0.81 -0.27 0.00 -0.52 0.00 0.00 55.73 54.28 2kgi s ARG 10 Cb -0.11 -4.11 -0.22 0.00 0.52 0.00 0.00 34.95 31.03 2kgi s ARG 10 CO 0.05 -1.33 1.09 -1.00 0.02 0.00 0.00 175.30 174.13 2kgi h PRO 11 N 9.10 -0.01 -0.61 3.54 0.13 -1.99 -3.47 132.00 138.68 2kgi h PRO 11 Ca -0.27 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.62 2kgi h PRO 11 Cb 1.09 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.13 2kgi h PRO 11 CO 1.01 0.63 -0.22 0.00 -0.23 0.00 0.00 178.00 179.20 2kgi s LYS 13 N -2.95 -1.33 0.00 0.00 1.02 -1.26 -4.92 119.74 110.29 2kgi s LYS 13 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.81 2kgi s LYS 13 Cb 0.00 -1.59 0.00 0.00 -0.52 0.00 0.00 37.83 35.72 2kgi s LYS 13 CO 0.00 -3.76 0.75 -0.25 -0.92 0.00 0.00 175.35 171.17 2kgi n ASP 14 N -4.77 0.00 -4.39 2.83 9.92 -1.26 -4.17 116.55 114.70 2kgi n ASP 14 Ca 0.15 0.79 -0.45 0.00 -0.53 0.00 0.00 54.79 54.74 2kgi n ASP 14 Cb 0.60 -0.34 -0.03 0.00 -0.64 0.00 0.00 41.12 40.71 2kgi n ASP 14 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2kgi s LYS 15 N -2.18 3.52 0.03 -1.24 1.02 -1.26 -5.01 119.74 114.61 2kgi s LYS 15 Ca 0.00 -1.96 -0.04 0.00 0.02 0.00 0.00 55.97 53.99 2kgi s LYS 15 Cb 0.00 -4.62 -0.04 0.00 -0.52 0.00 0.00 37.83 32.64 2kgi s LYS 15 CO 0.00 -1.55 0.24 0.14 -0.92 0.00 0.00 175.35 173.26 2kgi s VAL 16 N 1.71 5.35 0.16 3.17 -7.23 -1.26 -5.11 120.40 117.19 2kgi s VAL 16 Ca 0.24 -0.07 0.06 0.00 -1.81 0.00 0.00 61.98 60.40 2kgi s VAL 16 Cb -0.10 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 2kgi s VAL 16 CO -0.07 0.27 0.06 -0.62 -0.31 0.00 0.00 175.10 174.44 2kgi s ASP 17 N -2.01 5.17 0.16 4.85 -1.08 -1.26 -5.12 116.67 117.37 2kgi s ASP 17 Ca 0.30 -0.24 0.03 0.00 -0.52 0.00 0.00 52.55 52.12 2kgi s ASP 17 Cb -0.13 -1.24 -0.05 0.00 -1.46 0.00 0.00 42.92 40.04 2kgi s ASP 17 CO 0.20 0.09 -0.04 0.26 0.52 0.00 0.00 175.17 176.20 2kgi s TRP 18 N -1.69 1.23 0.00 -5.34 0.52 -1.26 -3.96 118.94 108.45 2kgi s TRP 18 Ca 0.29 -0.91 0.01 0.00 0.02 0.00 0.00 56.10 55.50 2kgi s TRP 18 Cb -0.10 -0.68 -0.00 0.00 -1.15 0.00 0.00 33.47 31.53 2kgi s TRP 18 CO 0.21 -0.09 -0.02 0.08 0.02 0.00 0.00 176.95 177.15 2kgi s VAL 19 N -3.52 0.15 -0.11 4.03 1.01 1.16 -4.75 120.40 118.37 2kgi s VAL 19 Ca 0.21 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 2kgi s VAL 19 Cb 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.23 2kgi s VAL 19 CO 0.02 -0.04 0.12 -1.10 0.00 0.00 0.00 175.10 174.10 2kgi s GLN 20 N -0.27 3.36 -0.16 2.72 -1.52 -1.26 -0.10 119.66 122.43 2kgi s GLN 20 Ca -0.02 -0.18 -0.24 0.00 -1.95 0.00 0.00 55.36 52.98 2kgi s GLN 20 Cb -0.02 -3.12 -0.02 0.00 -0.22 0.00 0.00 33.01 29.63 2kgi s GLN 20 CO -0.00 0.77 0.76 0.00 -0.25 0.00 0.00 175.29 176.56 2kgi n ASP 22 N 4.95 2.69 0.00 0.00 9.92 0.98 -4.01 116.55 131.08 2kgi n ASP 22 Ca 0.02 -2.35 0.00 0.00 -0.53 0.00 0.00 54.79 51.93 2kgi n ASP 22 Cb 0.49 -0.57 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 2kgi n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kgi n GLY 23 N 0.16 2.78 0.05 0.44 0.00 -1.26 -4.95 105.19 102.43 2kgi n GLY 23 Ca 0.11 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 5.00 -1.13 0.22 -0.02 0.00 -1.26 -3.77 105.19 104.22 2kgi n GLY 24 Ca 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.11 -1.52 -4.74 0.00 5.68 -1.25 -4.94 116.55 106.67 2kgi n ASP 26 Ca 0.04 -0.85 -0.24 0.00 -0.50 0.00 0.00 54.79 53.23 2kgi n ASP 26 Cb 0.53 -1.35 -0.07 0.00 -1.14 0.00 0.00 41.12 39.09 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 -6.28 2.25 -0.13 0.11 2.02 -1.26 -4.87 118.70 110.54 2kgi s GLU 27 Ca 0.63 -1.78 -0.08 0.00 0.02 0.00 0.00 54.97 53.76 2kgi s GLU 27 Cb -0.37 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 2kgi s GLU 27 CO 0.77 -0.07 0.16 -1.58 0.02 0.00 0.00 175.26 174.56 2kgi s TRP 28 N -2.56 3.56 0.42 1.61 0.52 -1.26 -2.54 118.94 118.69 2kgi s TRP 28 Ca 0.40 0.52 0.04 0.00 0.02 0.00 0.00 56.10 57.09 2kgi s TRP 28 Cb 0.02 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 2kgi s TRP 28 CO 0.23 0.62 0.04 -0.06 0.02 0.00 0.00 176.95 177.80 2kgi s PHE 29 N -0.69 2.04 -0.09 -1.98 0.08 0.86 -1.56 117.98 116.64 2kgi s PHE 29 Ca 0.14 -0.95 -0.04 0.00 0.12 0.00 0.00 56.93 56.20 2kgi s PHE 29 Cb -0.12 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.81 2kgi s PHE 29 CO 0.03 0.12 0.10 -1.01 -0.10 0.00 0.00 175.22 174.36 2kgi s HIS 30 N -3.00 3.43 0.20 0.36 3.76 0.69 -0.09 115.29 120.64 2kgi s HIS 30 Ca 0.24 0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 55.38 2kgi s HIS 30 Cb 0.06 -1.86 0.21 0.00 1.11 0.00 0.00 32.58 32.09 2kgi s HIS 30 CO 0.12 0.63 1.61 1.96 -0.85 0.00 0.00 174.74 178.22 2kgi h GLN 31 N 4.84 -0.06 0.00 1.40 1.08 -1.59 -2.06 115.11 118.72 2kgi h GLN 31 Ca -0.53 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.57 2kgi h GLN 31 Cb 1.21 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.64 2kgi h GLN 31 CO 0.58 -0.04 -0.52 -0.39 -0.95 0.00 0.00 178.83 177.51 2kgi h VAL 32 N -0.06 1.34 0.00 -0.54 -1.51 -1.90 0.25 116.25 113.83 2kgi h VAL 32 Ca 0.29 -1.81 -0.15 0.00 -1.23 0.00 0.00 66.70 63.80 2kgi h VAL 32 Cb 0.50 1.98 -0.02 0.00 -2.13 0.00 0.00 31.29 31.62 2kgi h VAL 32 CO -0.67 0.51 -1.01 0.00 -1.23 0.00 0.00 177.57 175.18 2kgi n VAL 34 N -3.08 1.43 -3.45 0.00 3.14 -0.98 -4.73 118.33 110.66 2kgi n VAL 34 Ca -0.04 -1.16 -0.19 0.00 -2.96 0.00 0.00 64.34 59.99 2kgi n VAL 34 Cb 0.82 0.29 0.08 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 0.91 -0.39 3.92 7.55 0.00 -1.07 -4.77 105.19 111.34 2kgi n GLY 35 Ca 0.21 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.34 5.30 -0.07 1.61 1.01 0.87 -5.04 120.40 120.74 2kgi s VAL 36 Ca 0.17 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2kgi s VAL 36 Cb -0.08 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2kgi s VAL 36 CO 0.71 0.04 -0.08 -0.44 0.00 0.00 0.00 175.10 175.34 2kgi s SER 37 N -2.67 4.56 0.26 3.32 0.01 -1.26 -4.51 113.70 113.41 2kgi s SER 37 Ca 0.37 -0.06 -0.11 0.00 1.31 0.00 0.00 55.95 57.46 2kgi s SER 37 Cb -0.12 -1.18 0.38 0.00 0.21 0.00 0.00 66.02 65.30 2kgi s SER 37 CO 0.27 0.34 1.56 -0.65 0.41 0.00 0.00 173.24 175.18 2kgi h PRO 38 N 5.39 -0.01 -0.12 12.44 0.11 -1.99 0.30 132.00 148.13 2kgi h PRO 38 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2kgi h PRO 38 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2kgi h PRO 38 CO 0.53 -0.00 -0.03 1.49 -0.21 0.00 0.00 178.00 179.77 2kgi h GLU 39 N -0.01 0.17 0.01 1.05 4.81 -1.97 -1.52 114.58 117.12 2kgi h GLU 39 Ca 0.43 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2kgi h GLU 39 Cb 0.67 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2kgi h GLU 39 CO -0.99 0.22 -0.00 0.52 -0.73 0.00 0.00 179.01 178.03 2kgi h MET 40 N 0.17 -0.01 0.00 1.92 2.86 -0.77 -1.88 114.93 117.23 2kgi h MET 40 Ca 0.04 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.55 2kgi h MET 40 Cb 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2kgi h MET 40 CO 0.01 0.55 -0.61 0.00 1.06 0.00 0.00 176.91 177.92 2kgi h ALA 41 N 0.41 0.75 0.00 6.32 0.00 -1.36 -1.28 119.26 124.11 2kgi h ALA 41 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2kgi h ALA 41 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kgi h ALA 41 CO 0.00 0.76 -0.50 0.93 0.00 0.00 0.00 179.25 180.44 2kgi h GLU 42 N 0.00 0.00 0.00 0.00 5.08 -1.32 -3.40 114.58 114.94 2kgi h GLU 42 Ca -0.01 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.96 2kgi h GLU 42 Cb 1.27 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 2kgi h GLU 42 CO 0.08 0.00 -2.35 0.09 -1.00 0.00 0.00 179.01 175.83 2kgi n ASN 43 N -2.79 1.87 -4.32 1.42 3.02 -0.71 -5.07 115.26 108.69 2kgi n ASN 43 Ca 0.02 0.17 -0.17 0.00 -0.03 0.00 0.00 54.58 54.57 2kgi n ASN 43 Cb 0.53 -0.61 -0.10 0.00 -0.61 0.00 0.00 39.78 38.98 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 -2.45 1.27 0.16 3.52 2.02 -0.49 -5.08 118.70 117.65 2kgi s GLU 44 Ca -0.33 -1.59 -0.33 0.00 0.02 0.00 0.00 54.97 52.73 2kgi s GLU 44 Cb 0.12 -0.85 -0.13 0.00 0.10 0.00 0.00 34.13 33.36 2kgi s GLU 44 CO 0.46 0.07 1.62 -0.40 0.02 0.00 0.00 175.26 177.03 2kgi n ASP 45 N -0.36 3.29 -4.58 -0.19 5.75 -1.26 -4.41 116.55 114.80 2kgi n ASP 45 Ca -0.08 1.07 -0.34 0.00 -0.01 0.00 0.00 54.79 55.43 2kgi n ASP 45 Cb 0.62 -1.45 -0.11 0.00 -1.03 0.00 0.00 41.12 39.14 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 1.13 3.12 -0.19 2.11 5.04 -1.26 -4.94 117.35 122.35 2kgi s TYR 46 Ca 0.79 -0.08 -0.01 0.00 -2.44 0.00 0.00 57.07 55.33 2kgi s TYR 46 Cb -0.64 -1.95 0.01 0.00 0.35 0.00 0.00 41.96 39.73 2kgi s TYR 46 CO 0.37 0.14 -0.15 0.42 -1.34 0.00 0.00 175.55 175.00 2kgi s ILE 47 N 0.05 2.52 0.95 3.14 -1.09 -1.26 -0.01 121.20 125.50 2kgi s ILE 47 Ca 0.02 -0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 57.54 2kgi s ILE 47 Cb -0.13 -2.10 0.16 0.00 -1.58 0.00 0.00 42.46 38.81 2kgi s ILE 47 CO 0.02 0.50 1.10 0.00 -1.23 0.00 0.00 174.94 175.33 2kgi h ILE 49 N -1.70 0.21 -0.05 0.00 -0.00 -2.00 -1.89 117.51 112.08 2kgi h ILE 49 Ca -0.52 -0.49 -0.20 0.00 -0.00 0.00 0.00 64.86 63.65 2kgi h ILE 49 Cb 1.32 1.40 -0.00 0.00 -0.00 0.00 0.00 36.82 39.53 2kgi h ILE 49 CO 0.58 0.06 -0.80 0.78 -0.00 0.00 0.00 178.15 178.76 2kgi h ASN 50 N 0.00 0.52 0.06 2.16 2.35 -2.00 -3.12 115.58 115.55 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 0.39 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2kgi h ASN 50 CO 0.01 1.13 -0.13 0.00 -1.65 0.00 0.00 177.43 176.79