#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 2.78 0.46 -3.33 1.01 -1.26 -3.99 120.40 116.07 2kgi s VAL 2 Ca 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.96 2kgi s VAL 2 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2kgi s VAL 2 CO 0.00 0.44 0.03 0.00 0.00 0.00 0.00 175.10 175.57 2kgi n ALA 4 N -1.12 5.27 -2.71 0.00 0.00 -0.87 -4.92 120.51 116.16 2kgi n ALA 4 Ca -0.13 -4.78 -0.34 0.00 0.00 0.00 0.00 53.44 48.19 2kgi n ALA 4 Cb 0.67 -2.35 -0.12 0.00 0.00 0.00 0.00 19.45 17.64 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 -2.86 2.92 0.22 0.00 0.00 -1.26 -4.86 121.76 115.92 2kgi s ALA 5 Ca 0.32 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 2kgi s ALA 5 Cb 0.06 -1.28 0.26 0.00 0.00 0.00 0.00 23.12 22.16 2kgi s ALA 5 CO 0.09 0.46 1.61 0.37 0.00 0.00 0.00 175.76 178.28 2kgi h GLN 6 N 5.74 -0.02 -2.63 0.00 4.15 -1.91 -2.83 115.11 117.60 2kgi h GLN 6 Ca -0.42 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 58.32 2kgi h GLN 6 Cb 1.18 0.00 -0.37 0.00 0.21 0.00 0.00 27.48 28.51 2kgi h GLN 6 CO 0.55 -0.01 -0.09 -1.71 -1.93 0.00 0.00 178.83 175.64 2kgi n ASN 7 N -5.47 4.63 -4.92 -0.69 2.85 -1.26 -5.04 115.26 105.36 2kgi n ASN 7 Ca 0.09 -3.38 -0.28 0.00 -0.11 0.00 0.00 54.58 50.90 2kgi n ASN 7 Cb 0.36 -0.92 -0.03 0.00 1.24 0.00 0.00 39.78 40.43 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 -3.15 2.24 -0.53 0.00 -0.21 -1.26 -5.09 119.66 111.65 2kgi s GLN 9 Ca 0.38 -0.89 -0.17 0.00 0.02 0.00 0.00 55.36 54.70 2kgi s GLN 9 Cb -0.11 -2.12 0.09 0.00 1.00 0.00 0.00 33.01 31.87 2kgi s GLN 9 CO 0.28 0.54 0.57 0.50 -2.12 0.00 0.00 175.29 175.06 2kgi s ARG 10 N -0.56 3.03 -0.13 2.91 3.52 -1.26 -4.87 118.95 121.59 2kgi s ARG 10 Ca 0.08 -1.32 -0.09 0.00 -0.13 0.00 0.00 55.73 54.27 2kgi s ARG 10 Cb -0.11 -4.21 -0.07 0.00 -1.56 0.00 0.00 34.95 29.01 2kgi s ARG 10 CO -0.00 -1.30 0.09 -1.00 -0.81 0.00 0.00 175.30 172.28 2kgi h PRO 11 N 8.97 0.00 -3.27 5.12 0.13 -2.00 -3.48 132.00 137.47 2kgi h PRO 11 Ca -0.29 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.43 2kgi h PRO 11 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2kgi h PRO 11 CO 1.01 0.26 -0.54 0.00 -0.23 0.00 0.00 178.00 178.50 2kgi n LYS 13 N -3.17 -1.02 0.03 0.00 5.02 -1.26 -4.90 118.16 112.87 2kgi n LYS 13 Ca -0.22 -0.92 0.07 0.00 -2.02 0.00 0.00 58.31 55.22 2kgi n LYS 13 Cb 0.68 -0.68 0.32 0.00 -0.02 0.00 0.00 35.03 35.32 2kgi n LYS 13 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2kgi n ASP 14 N -3.54 0.15 -3.42 4.39 8.00 -1.26 -4.47 116.55 116.40 2kgi n ASP 14 Ca 0.08 0.54 0.02 0.00 0.71 0.00 0.00 54.79 56.14 2kgi n ASP 14 Cb 0.27 -0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 40.75 2kgi n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kgi s LYS 15 N -3.08 0.10 0.07 -1.24 1.02 -1.26 -5.19 119.74 110.16 2kgi s LYS 15 Ca 0.05 0.22 0.04 0.00 0.02 0.00 0.00 55.97 56.30 2kgi s LYS 15 Cb 0.08 0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.45 2kgi s LYS 15 CO 0.26 -0.03 -0.12 0.14 -0.92 0.00 0.00 175.35 174.68 2kgi s VAL 16 N 1.69 0.90 -0.13 3.17 -7.23 -1.26 -5.05 120.40 112.49 2kgi s VAL 16 Ca -0.04 -1.28 -0.10 0.00 -1.81 0.00 0.00 61.98 58.76 2kgi s VAL 16 Cb -0.02 -0.96 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 2kgi s VAL 16 CO -0.14 -0.32 0.19 -1.81 -0.31 0.00 0.00 175.10 172.71 2kgi s ASP 17 N -1.78 6.40 0.23 4.85 1.01 -1.26 -5.08 116.67 121.03 2kgi s ASP 17 Ca -0.04 0.47 0.10 0.00 0.71 0.00 0.00 52.55 53.80 2kgi s ASP 17 Cb -0.09 -2.11 -0.05 0.00 1.01 0.00 0.00 42.92 41.68 2kgi s ASP 17 CO 0.01 0.30 -0.19 0.26 0.21 0.00 0.00 175.17 175.76 2kgi s TRP 18 N -0.48 2.05 0.01 4.23 0.52 -1.25 -3.00 118.94 121.02 2kgi s TRP 18 Ca 0.14 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 55.84 2kgi s TRP 18 Cb -0.12 -0.95 -0.01 0.00 -1.15 0.00 0.00 33.47 31.24 2kgi s TRP 18 CO 0.04 0.52 -0.02 0.08 0.02 0.00 0.00 176.95 177.59 2kgi s VAL 19 N -2.41 0.10 -0.09 4.03 1.01 1.74 -4.76 120.40 120.03 2kgi s VAL 19 Ca 0.24 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2kgi s VAL 19 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 2kgi s VAL 19 CO 0.10 -0.17 -0.00 -1.58 0.00 0.00 0.00 175.10 173.45 2kgi s GLN 20 N -0.58 3.03 0.20 2.72 0.74 -1.26 -0.16 119.66 124.34 2kgi s GLN 20 Ca -0.06 -0.41 -0.30 0.00 0.05 0.00 0.00 55.36 54.64 2kgi s GLN 20 Cb -0.04 -2.80 -0.08 0.00 1.10 0.00 0.00 33.01 31.19 2kgi s GLN 20 CO -0.00 0.67 0.99 0.00 -0.55 0.00 0.00 175.29 176.40 2kgi n ASP 22 N 1.95 2.97 -1.12 0.00 8.00 0.41 -3.82 116.55 124.94 2kgi n ASP 22 Ca -0.00 -1.95 0.09 0.00 0.71 0.00 0.00 54.79 53.64 2kgi n ASP 22 Cb 0.47 -0.24 0.27 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.67 2.64 0.00 0.44 0.00 -1.26 -4.95 105.19 102.74 2kgi n GLY 23 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.18 3.07 0.09 -0.02 0.00 -1.26 -4.82 105.19 103.43 2kgi n GLY 24 Ca 0.20 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.24 -1.09 -4.94 0.00 9.92 -1.25 -5.05 116.55 110.90 2kgi n ASP 26 Ca -0.03 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.99 2kgi n ASP 26 Cb 0.08 -0.33 0.01 0.00 -0.64 0.00 0.00 41.12 40.25 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 -3.17 2.25 -0.07 -1.24 2.02 -1.26 -4.74 118.70 112.49 2kgi s GLU 27 Ca 0.00 -1.94 -0.04 0.00 0.02 0.00 0.00 54.97 53.01 2kgi s GLU 27 Cb 0.00 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 2kgi s GLU 27 CO 0.00 -0.71 0.09 -1.58 0.02 0.00 0.00 175.26 173.08 2kgi s TRP 28 N -2.76 3.39 0.39 1.61 0.52 -1.26 -2.38 118.94 118.46 2kgi s TRP 28 Ca 0.41 0.34 0.04 0.00 0.02 0.00 0.00 56.10 56.91 2kgi s TRP 28 Cb -0.03 -1.84 -0.05 0.00 -1.15 0.00 0.00 33.47 30.40 2kgi s TRP 28 CO 0.26 0.61 0.06 -0.06 0.02 0.00 0.00 176.95 177.83 2kgi s PHE 29 N -1.05 2.01 -0.07 -1.98 0.08 0.77 -2.04 117.98 115.69 2kgi s PHE 29 Ca 0.17 -0.98 -0.10 0.00 0.12 0.00 0.00 56.93 56.14 2kgi s PHE 29 Cb -0.12 -1.40 -0.05 0.00 -0.57 0.00 0.00 43.02 40.88 2kgi s PHE 29 CO 0.07 0.05 0.25 -1.01 -0.10 0.00 0.00 175.22 174.48 2kgi s HIS 30 N -3.09 3.65 0.17 0.36 3.76 0.37 -0.23 115.29 120.27 2kgi s HIS 30 Ca 0.28 0.71 -0.22 0.00 -0.15 0.00 0.00 55.06 55.68 2kgi s HIS 30 Cb 0.06 -2.08 0.08 0.00 1.11 0.00 0.00 32.58 31.75 2kgi s HIS 30 CO 0.14 0.69 1.60 1.96 -0.85 0.00 0.00 174.74 178.28 2kgi h GLN 31 N 4.90 -0.21 -0.02 1.40 1.08 -1.36 -2.21 115.11 118.70 2kgi h GLN 31 Ca -0.53 0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 56.54 2kgi h GLN 31 Cb 1.22 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.68 2kgi h GLN 31 CO 0.60 -0.14 -0.65 -0.39 -0.95 0.00 0.00 178.83 177.30 2kgi h VAL 32 N -0.21 1.45 0.00 -0.54 -1.51 -1.87 0.62 116.25 114.19 2kgi h VAL 32 Ca 0.19 -2.19 0.00 0.00 -1.23 0.00 0.00 66.70 63.47 2kgi h VAL 32 Cb 0.54 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 2kgi h VAL 32 CO -0.58 0.63 0.00 0.00 -1.23 0.00 0.00 177.57 176.39 2kgi n VAL 34 N -2.91 1.03 0.00 0.00 3.14 -1.00 -4.50 118.33 114.09 2kgi n VAL 34 Ca 0.03 -0.63 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 2kgi n VAL 34 Cb 0.44 -0.62 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 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 2.09 0.66 3.98 7.55 0.00 0.11 -5.01 105.19 114.58 2kgi n GLY 35 Ca -0.25 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.80 3.39 -0.04 1.61 1.01 0.18 -4.98 120.40 120.76 2kgi s VAL 36 Ca 0.00 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.25 2kgi s VAL 36 Cb 0.00 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 2kgi s VAL 36 CO 0.00 -0.12 -0.16 -0.44 0.00 0.00 0.00 175.10 174.38 2kgi s SER 37 N -4.30 2.07 0.26 3.32 0.01 -1.26 -4.56 113.70 109.24 2kgi s SER 37 Ca 0.52 -0.34 -0.10 0.00 1.31 0.00 0.00 55.95 57.34 2kgi s SER 37 Cb -0.10 -0.55 0.38 0.00 0.21 0.00 0.00 66.02 65.96 2kgi s SER 37 CO 0.35 0.15 1.57 1.55 0.41 0.00 0.00 173.24 177.28 2kgi h PRO 38 N 6.23 -0.01 -0.80 12.44 0.13 -2.00 0.63 132.00 148.63 2kgi h PRO 38 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2kgi h PRO 38 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2kgi h PRO 38 CO 0.48 -0.00 0.47 1.49 -0.23 0.00 0.00 178.00 180.20 2kgi h GLU 39 N -0.01 1.08 -0.01 0.86 4.81 -1.97 -1.56 114.58 117.78 2kgi h GLU 39 Ca 0.42 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2kgi h GLU 39 Cb 0.66 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2kgi h GLU 39 CO -0.94 0.77 -0.01 0.52 -0.73 0.00 0.00 179.01 178.62 2kgi h MET 40 N 1.10 0.03 0.00 1.92 2.86 -1.25 -2.06 114.93 117.53 2kgi h MET 40 Ca 0.28 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.77 2kgi h MET 40 Cb -0.03 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2kgi h MET 40 CO -0.05 0.46 -0.68 0.00 1.06 0.00 0.00 176.91 177.69 2kgi h ALA 41 N 0.57 0.70 0.00 6.32 0.00 -1.44 -2.18 119.26 123.22 2kgi h ALA 41 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2kgi h ALA 41 Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kgi h ALA 41 CO 0.00 0.86 -0.72 0.39 0.00 0.00 0.00 179.25 179.78 2kgi n GLU 42 N -3.47 0.30 -0.10 0.00 1.02 -0.60 -4.17 120.64 113.62 2kgi n GLU 42 Ca 0.00 0.07 -0.21 0.00 -0.02 0.00 0.00 57.16 57.00 2kgi n GLU 42 Cb 0.73 -1.67 -0.12 0.00 -0.02 0.00 0.00 31.44 30.36 2kgi n GLU 42 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2kgi n ASN 43 N -2.10 2.00 -4.23 1.62 5.15 -0.78 -5.02 115.26 111.90 2kgi n ASN 43 Ca 0.03 0.04 -0.13 0.00 -0.60 0.00 0.00 54.58 53.92 2kgi n ASN 43 Cb 0.44 -0.60 -0.10 0.00 -0.53 0.00 0.00 39.78 38.99 2kgi n ASN 43 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2kgi s GLU 44 N -2.52 1.01 0.10 1.20 2.02 -0.83 -5.10 118.70 114.59 2kgi s GLU 44 Ca -0.33 -1.44 -0.36 0.00 0.02 0.00 0.00 54.97 52.87 2kgi s GLU 44 Cb 0.09 -0.47 -0.17 0.00 0.10 0.00 0.00 34.13 33.69 2kgi s GLU 44 CO 0.62 0.02 1.25 -0.25 0.02 0.00 0.00 175.26 176.92 2kgi n ASP 45 N -0.17 1.37 -4.30 -0.19 9.92 -1.26 -4.29 116.55 117.63 2kgi n ASP 45 Ca -0.10 1.13 -0.36 0.00 -0.53 0.00 0.00 54.79 54.93 2kgi n ASP 45 Cb 0.61 -1.17 -0.14 0.00 -0.64 0.00 0.00 41.12 39.78 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 0.22 3.05 -0.25 1.24 5.04 -1.26 -4.96 117.35 120.44 2kgi s TYR 46 Ca 0.81 -1.08 -0.09 0.00 -2.44 0.00 0.00 57.07 54.27 2kgi s TYR 46 Cb -0.95 -2.14 -0.04 0.00 0.35 0.00 0.00 41.96 39.18 2kgi s TYR 46 CO 0.49 -0.59 0.11 0.42 -1.34 0.00 0.00 175.55 174.64 2kgi s ILE 47 N 1.45 4.73 0.87 3.14 1.09 -1.26 -0.45 121.20 130.77 2kgi s ILE 47 Ca 0.03 -0.03 -0.12 0.00 -1.10 0.00 0.00 60.65 59.43 2kgi s ILE 47 Cb -0.16 -3.21 0.11 0.00 -1.06 0.00 0.00 42.46 38.14 2kgi s ILE 47 CO -0.02 0.33 1.16 0.00 -0.10 0.00 0.00 174.94 176.32 2kgi h ILE 49 N -1.31 0.77 0.00 0.00 -0.00 -1.98 -0.52 117.51 114.47 2kgi h ILE 49 Ca -0.48 -0.95 0.00 0.00 -0.00 0.00 0.00 64.86 63.42 2kgi h ILE 49 Cb 1.33 1.58 0.00 0.00 -0.00 0.00 0.00 36.82 39.73 2kgi h ILE 49 CO 0.63 0.23 0.00 0.78 -0.00 0.00 0.00 178.15 179.79 2kgi h ASN 50 N 0.00 0.00 -0.03 2.16 2.35 -2.01 -2.68 115.58 115.36 2kgi h ASN 50 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kgi h ASN 50 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2kgi h ASN 50 CO 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.81