#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 3.92 0.49 -3.33 1.01 -1.26 -4.32 120.40 116.90 2kgi s VAL 2 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2kgi s VAL 2 Cb 0.00 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2kgi s VAL 2 CO 0.00 0.47 0.06 0.00 0.00 0.00 0.00 175.10 175.63 2kgi n ALA 4 N -1.26 5.17 -2.68 0.00 0.00 -0.50 -4.94 120.51 116.30 2kgi n ALA 4 Ca -0.13 -4.77 -0.33 0.00 0.00 0.00 0.00 53.44 48.21 2kgi n ALA 4 Cb 0.67 -2.07 -0.09 0.00 0.00 0.00 0.00 19.45 17.96 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 -3.04 3.29 0.18 0.00 0.00 -1.26 -4.85 121.76 116.08 2kgi s ALA 5 Ca 0.34 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 51.20 2kgi s ALA 5 Cb 0.09 -1.37 0.12 0.00 0.00 0.00 0.00 23.12 21.97 2kgi s ALA 5 CO 0.05 0.64 1.64 1.96 0.00 0.00 0.00 175.76 180.05 2kgi h GLN 6 N 4.46 -0.06 -2.76 0.00 4.20 -1.92 -3.16 115.11 115.87 2kgi h GLN 6 Ca -0.49 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 57.52 2kgi h GLN 6 Cb 1.18 0.01 -0.36 0.00 0.30 0.00 0.00 27.48 28.62 2kgi h GLN 6 CO 0.57 -0.04 -0.00 -1.71 -0.67 0.00 0.00 178.83 176.98 2kgi n ASN 7 N -5.36 4.75 -4.93 1.46 5.15 -1.26 -5.04 115.26 110.02 2kgi n ASN 7 Ca 0.03 -3.34 -0.28 0.00 -0.60 0.00 0.00 54.58 50.39 2kgi n ASN 7 Cb 0.27 -0.97 -0.03 0.00 -0.53 0.00 0.00 39.78 38.51 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 -2.98 1.99 -0.59 0.00 -0.21 -1.26 -5.10 119.66 111.51 2kgi s GLN 9 Ca 0.36 -1.01 -0.15 0.00 0.02 0.00 0.00 55.36 54.57 2kgi s GLN 9 Cb -0.12 -2.08 0.15 0.00 1.00 0.00 0.00 33.01 31.96 2kgi s GLN 9 CO 0.28 0.54 0.54 1.03 -2.12 0.00 0.00 175.29 175.56 2kgi s ARG 10 N -1.15 3.08 -0.06 2.91 0.52 -1.26 -4.90 118.95 118.10 2kgi s ARG 10 Ca 0.12 -1.85 -0.17 0.00 -0.52 0.00 0.00 55.73 53.31 2kgi s ARG 10 Cb -0.10 -4.31 -0.12 0.00 0.52 0.00 0.00 34.95 30.94 2kgi s ARG 10 CO 0.02 -1.32 0.68 -1.00 0.02 0.00 0.00 175.30 173.71 2kgi h PRO 11 N 8.66 -0.26 -1.17 3.54 0.13 -2.00 -3.48 132.00 137.43 2kgi h PRO 11 Ca -0.22 0.02 -0.35 0.00 -0.87 0.00 0.00 66.00 64.58 2kgi h PRO 11 Cb 1.09 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.16 2kgi h PRO 11 CO 0.98 0.08 -0.34 0.00 -0.23 0.00 0.00 178.00 178.48 2kgi n LYS 13 N -2.53 -2.49 0.22 0.00 5.02 -1.26 -4.97 118.16 112.15 2kgi n LYS 13 Ca -0.18 -1.57 -0.13 0.00 -2.02 0.00 0.00 58.31 54.41 2kgi n LYS 13 Cb 0.58 -1.36 -0.07 0.00 -0.02 0.00 0.00 35.03 34.16 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 -2.28 -1.02 -3.20 4.39 3.32 -2.07 -3.40 116.42 112.17 2kgi h ASP 14 Ca -0.36 0.08 -0.56 0.00 0.02 0.00 0.00 57.03 56.21 2kgi h ASP 14 Cb 1.07 0.33 -0.36 0.00 0.22 0.00 0.00 39.33 40.60 2kgi h ASP 14 CO 0.24 -0.49 -0.82 -0.54 -1.72 0.00 0.00 179.24 175.91 2kgi s LYS 15 N -5.07 1.95 0.12 3.56 1.02 -1.26 -5.12 119.74 114.93 2kgi s LYS 15 Ca -0.13 -0.43 0.10 0.00 0.02 0.00 0.00 55.97 55.52 2kgi s LYS 15 Cb 0.03 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 2kgi s LYS 15 CO 0.44 -0.19 -0.24 0.14 -0.92 0.00 0.00 175.35 174.57 2kgi s VAL 16 N 1.40 2.03 0.29 3.17 -7.23 -1.26 -5.11 120.40 113.68 2kgi s VAL 16 Ca 0.01 -1.66 -0.21 0.00 -1.81 0.00 0.00 61.98 58.31 2kgi s VAL 16 Cb -0.13 -1.81 -0.09 0.00 0.56 0.00 0.00 36.38 34.91 2kgi s VAL 16 CO -0.07 0.03 0.81 -1.81 -0.31 0.00 0.00 175.10 173.76 2kgi s ASP 17 N -1.98 7.09 0.06 4.85 1.11 -1.26 -5.08 116.67 121.45 2kgi s ASP 17 Ca 0.11 1.55 0.00 0.00 0.18 0.00 0.00 52.55 54.39 2kgi s ASP 17 Cb -0.10 -2.47 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 2kgi s ASP 17 CO 0.05 -0.07 -0.05 0.26 1.18 0.00 0.00 175.17 176.54 2kgi s TRP 18 N -1.69 0.58 -0.02 4.23 0.52 -1.25 -4.05 118.94 117.27 2kgi s TRP 18 Ca 0.49 -0.84 -0.03 0.00 0.02 0.00 0.00 56.10 55.74 2kgi s TRP 18 Cb -0.15 -0.38 0.00 0.00 -1.15 0.00 0.00 33.47 31.78 2kgi s TRP 18 CO 0.20 -0.24 0.07 0.08 0.02 0.00 0.00 176.95 177.08 2kgi s VAL 19 N -2.99 0.03 -0.10 4.03 1.01 1.98 -4.82 120.40 119.55 2kgi s VAL 19 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2kgi s VAL 19 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 2kgi s VAL 19 CO -0.05 -0.12 -0.01 -1.58 0.00 0.00 0.00 175.10 173.33 2kgi s GLN 20 N -0.35 3.15 0.30 2.72 0.74 -1.26 -0.22 119.66 124.74 2kgi s GLN 20 Ca -0.04 -0.45 -0.28 0.00 0.05 0.00 0.00 55.36 54.64 2kgi s GLN 20 Cb -0.03 -2.81 -0.09 0.00 1.10 0.00 0.00 33.01 31.17 2kgi s GLN 20 CO 0.00 0.57 1.08 0.00 -0.55 0.00 0.00 175.29 176.39 2kgi n ASP 22 N 0.92 3.36 -0.03 0.00 8.00 0.10 -3.94 116.55 124.96 2kgi n ASP 22 Ca 0.00 -3.28 0.02 0.00 0.71 0.00 0.00 54.79 52.25 2kgi n ASP 22 Cb 0.46 -0.58 0.03 0.00 -0.02 0.00 0.00 41.12 41.01 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 -0.77 2.42 0.00 0.44 0.00 -1.26 -4.95 105.19 101.07 2kgi n GLY 23 Ca 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.59 2.92 0.25 -0.02 0.00 -1.26 -4.83 105.19 101.66 2kgi n GLY 24 Ca 0.03 -0.43 0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.92 -1.49 -4.67 0.00 9.92 -1.25 -4.92 116.55 111.22 2kgi n ASP 26 Ca 0.01 -1.19 -0.26 0.00 -0.53 0.00 0.00 54.79 52.82 2kgi n ASP 26 Cb 0.30 -1.51 -0.09 0.00 -0.64 0.00 0.00 41.12 39.17 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 -6.93 2.07 -0.12 -1.24 2.02 -1.26 -4.78 118.70 108.46 2kgi s GLU 27 Ca 0.72 -1.98 -0.08 0.00 0.02 0.00 0.00 54.97 53.65 2kgi s GLU 27 Cb -0.42 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 2kgi s GLU 27 CO 0.97 -0.06 0.17 -1.58 0.02 0.00 0.00 175.26 174.78 2kgi s TRP 28 N -2.65 3.59 0.30 1.61 0.52 -1.26 -1.56 118.94 119.50 2kgi s TRP 28 Ca 0.37 0.56 0.02 0.00 0.02 0.00 0.00 56.10 57.07 2kgi s TRP 28 Cb 0.07 -2.00 -0.05 0.00 -1.15 0.00 0.00 33.47 30.34 2kgi s TRP 28 CO 0.20 0.68 0.10 -0.59 0.02 0.00 0.00 176.95 177.36 2kgi s PHE 29 N -0.89 1.69 0.01 -1.98 -0.12 0.69 -1.41 117.98 115.97 2kgi s PHE 29 Ca 0.15 -1.16 -0.05 0.00 -0.05 0.00 0.00 56.93 55.83 2kgi s PHE 29 Cb -0.12 -1.03 -0.04 0.00 -0.63 0.00 0.00 43.02 41.19 2kgi s PHE 29 CO 0.04 -0.26 0.23 -1.01 -0.05 0.00 0.00 175.22 174.17 2kgi s HIS 30 N -3.55 3.56 0.19 3.49 3.76 0.26 0.41 115.29 123.40 2kgi s HIS 30 Ca 0.36 0.47 -0.12 0.00 -0.15 0.00 0.00 55.06 55.62 2kgi s HIS 30 Cb 0.07 -1.92 0.18 0.00 1.11 0.00 0.00 32.58 32.03 2kgi s HIS 30 CO 0.15 0.62 1.78 1.96 -0.85 0.00 0.00 174.74 178.40 2kgi h GLN 31 N 3.85 0.50 0.00 1.40 1.08 -1.69 -2.40 115.11 117.85 2kgi h GLN 31 Ca -0.49 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 56.56 2kgi h GLN 31 Cb 1.19 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 2kgi h GLN 31 CO 0.68 0.33 -0.54 -0.39 -0.95 0.00 0.00 178.83 177.95 2kgi h VAL 32 N 0.52 1.35 0.00 -0.54 -1.51 -1.92 0.38 116.25 114.52 2kgi h VAL 32 Ca 0.25 -1.90 0.00 0.00 -1.23 0.00 0.00 66.70 63.83 2kgi h VAL 32 Cb 0.19 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2kgi h VAL 32 CO -0.19 0.53 -0.43 0.00 -1.23 0.00 0.00 177.57 176.26 2kgi n VAL 34 N -2.87 1.15 -3.32 0.00 3.14 -1.07 -4.61 118.33 110.75 2kgi n VAL 34 Ca 0.02 -1.17 -0.17 0.00 -2.96 0.00 0.00 64.34 60.07 2kgi n VAL 34 Cb 0.53 0.39 0.07 0.00 -1.06 0.00 0.00 33.84 33.78 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 -0.33 -0.28 3.86 7.55 0.00 -0.95 -4.90 105.19 110.13 2kgi n GLY 35 Ca 0.06 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.29 4.95 0.02 1.61 1.01 0.13 -5.03 120.40 119.80 2kgi s VAL 36 Ca 0.23 0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.86 2kgi s VAL 36 Cb -0.10 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2kgi s VAL 36 CO 0.62 0.15 -0.14 -0.44 0.00 0.00 0.00 175.10 175.29 2kgi s SER 37 N -1.96 4.06 0.31 3.32 0.01 -1.26 -4.53 113.70 113.64 2kgi s SER 37 Ca 0.40 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.36 2kgi s SER 37 Cb -0.13 -0.76 0.79 0.00 0.21 0.00 0.00 66.02 66.12 2kgi s SER 37 CO 0.20 0.27 1.59 -0.65 0.41 0.00 0.00 173.24 175.05 2kgi h PRO 38 N 4.58 0.04 -0.87 12.44 0.11 -1.98 0.18 132.00 146.50 2kgi h PRO 38 Ca -0.48 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2kgi h PRO 38 Cb 1.16 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2kgi h PRO 38 CO 0.50 0.03 0.47 0.93 -0.21 0.00 0.00 178.00 179.71 2kgi h GLU 39 N 0.04 1.22 -0.01 1.05 5.08 -1.99 -2.76 114.58 117.21 2kgi h GLU 39 Ca 0.61 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 2kgi h GLU 39 Cb 1.29 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2kgi h GLU 39 CO -0.85 0.89 -0.02 0.52 -1.00 0.00 0.00 179.01 178.55 2kgi h MET 40 N 1.22 0.03 -0.02 2.33 2.86 -1.02 -2.33 114.93 117.99 2kgi h MET 40 Ca 0.30 -0.02 -0.23 0.00 -2.06 0.00 0.00 59.70 57.70 2kgi h MET 40 Cb 0.04 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.71 2kgi h MET 40 CO -0.05 0.55 -0.92 0.00 1.06 0.00 0.00 176.91 177.55 2kgi h ALA 41 N 0.49 0.35 0.00 6.32 0.00 -1.52 -3.12 119.26 121.78 2kgi h ALA 41 Ca 0.00 -0.69 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 2kgi h ALA 41 Cb 0.54 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2kgi h ALA 41 CO 0.00 0.78 -1.36 0.93 0.00 0.00 0.00 179.25 179.61 2kgi h GLU 42 N 0.29 0.00 0.14 0.00 5.08 -1.59 -3.38 114.58 115.12 2kgi h GLU 42 Ca -0.08 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.98 2kgi h GLU 42 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2kgi h GLU 42 CO 0.16 0.36 -1.47 -0.91 -1.00 0.00 0.00 179.01 176.16 2kgi h ASN 43 N 0.00 0.47 -5.39 1.42 2.35 -1.52 -3.48 115.58 109.43 2kgi h ASN 43 Ca -0.16 -0.59 -0.17 0.00 -0.55 0.00 0.00 56.30 54.83 2kgi h ASN 43 Cb 1.63 -0.15 -0.14 0.00 0.05 0.00 0.00 38.32 39.71 2kgi h ASN 43 CO 0.06 1.48 -0.57 -1.61 -1.65 0.00 0.00 177.43 175.13 2kgi s GLU 44 N -2.62 0.98 0.25 0.81 2.02 -1.18 -5.09 118.70 113.86 2kgi s GLU 44 Ca -0.08 -1.38 -0.31 0.00 0.02 0.00 0.00 54.97 53.22 2kgi s GLU 44 Cb 0.06 0.27 -0.12 0.00 0.10 0.00 0.00 34.13 34.44 2kgi s GLU 44 CO 0.87 -0.30 1.56 -0.25 0.02 0.00 0.00 175.26 177.17 2kgi n ASP 45 N -0.12 3.46 -4.45 -0.19 9.92 -1.26 -4.49 116.55 119.41 2kgi n ASP 45 Ca -0.06 1.12 -0.33 0.00 -0.53 0.00 0.00 54.79 55.00 2kgi n ASP 45 Cb 0.64 -1.52 -0.13 0.00 -0.64 0.00 0.00 41.12 39.46 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 0.28 2.75 -0.15 1.24 5.04 -1.26 -4.96 117.35 120.29 2kgi s TYR 46 Ca 0.69 -0.31 0.01 0.00 -2.44 0.00 0.00 57.07 55.02 2kgi s TYR 46 Cb -0.57 -1.71 -0.00 0.00 0.35 0.00 0.00 41.96 40.03 2kgi s TYR 46 CO 0.45 0.06 -0.16 0.42 -1.34 0.00 0.00 175.55 174.99 2kgi s ILE 47 N -0.37 2.68 0.76 3.14 -1.09 -1.26 0.02 121.20 125.07 2kgi s ILE 47 Ca 0.04 -0.77 -0.12 0.00 -2.23 0.00 0.00 60.65 57.57 2kgi s ILE 47 Cb -0.12 -2.12 0.05 0.00 -1.58 0.00 0.00 42.46 38.68 2kgi s ILE 47 CO 0.02 0.52 1.12 0.00 -1.23 0.00 0.00 174.94 175.37 2kgi h ILE 49 N -0.87 0.00 -0.28 0.00 -0.00 -2.00 -1.65 117.51 112.71 2kgi h ILE 49 Ca -0.46 -0.42 -0.16 0.00 -0.00 0.00 0.00 64.86 63.82 2kgi h ILE 49 Cb 1.28 1.40 -0.01 0.00 -0.00 0.00 0.00 36.82 39.49 2kgi h ILE 49 CO 0.64 0.00 -0.47 0.78 -0.00 0.00 0.00 178.15 179.10 2kgi h ASN 50 N 0.00 0.80 0.09 2.16 2.35 -2.01 -3.09 115.58 115.88 2kgi h ASN 50 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 2kgi h ASN 50 Cb 0.43 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2kgi h ASN 50 CO 0.00 1.14 -0.34 0.00 -1.65 0.00 0.00 177.43 176.58