#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 3.57 0.52 -3.33 1.01 -1.26 -4.39 120.40 116.52 2kgi s VAL 2 Ca 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.36 2kgi s VAL 2 Cb 0.00 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.92 2kgi s VAL 2 CO 0.00 0.48 0.52 0.00 0.00 0.00 0.00 175.10 176.10 2kgi n ALA 4 N -1.86 4.84 -2.77 0.00 0.00 0.38 -4.95 120.51 116.16 2kgi n ALA 4 Ca 0.05 -4.78 -0.35 0.00 0.00 0.00 0.00 53.44 48.36 2kgi n ALA 4 Cb 0.63 -1.74 -0.09 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.85 3.35 0.23 0.00 0.00 -1.26 -4.87 121.76 116.36 2kgi s ALA 5 Ca 0.36 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.41 2kgi s ALA 5 Cb 0.11 -1.64 0.29 0.00 0.00 0.00 0.00 23.12 21.88 2kgi s ALA 5 CO 0.04 0.47 1.60 1.96 0.00 0.00 0.00 175.76 179.82 2kgi h GLN 6 N 5.61 -0.02 -2.28 0.00 4.20 -1.95 -2.95 115.11 117.72 2kgi h GLN 6 Ca -0.46 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.65 2kgi h GLN 6 Cb 1.19 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 28.56 2kgi h GLN 6 CO 0.59 -0.01 -0.61 -1.71 -0.67 0.00 0.00 178.83 176.41 2kgi n ASN 7 N -5.49 3.53 -4.93 1.46 2.85 -1.26 -5.06 115.26 106.35 2kgi n ASN 7 Ca 0.10 -3.39 -0.28 0.00 -0.11 0.00 0.00 54.58 50.90 2kgi n ASN 7 Cb 0.39 -0.68 -0.03 0.00 1.24 0.00 0.00 39.78 40.70 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 -3.09 3.24 -0.52 0.00 -0.21 -1.26 -5.08 119.66 112.75 2kgi s GLN 9 Ca 0.37 -0.28 -0.21 0.00 0.02 0.00 0.00 55.36 55.25 2kgi s GLN 9 Cb -0.11 -3.01 0.05 0.00 1.00 0.00 0.00 33.01 30.94 2kgi s GLN 9 CO 0.28 0.73 0.73 1.03 -2.12 0.00 0.00 175.29 175.94 2kgi s ARG 10 N -1.16 3.20 -0.12 2.91 0.52 -1.26 -4.93 118.95 118.11 2kgi s ARG 10 Ca 0.17 -0.66 -0.11 0.00 -0.52 0.00 0.00 55.73 54.61 2kgi s ARG 10 Cb -0.12 -4.08 -0.10 0.00 0.52 0.00 0.00 34.95 31.18 2kgi s ARG 10 CO 0.06 -1.30 0.27 -1.00 0.02 0.00 0.00 175.30 173.35 2kgi h PRO 11 N 9.10 0.00 -1.60 3.54 0.13 -1.99 -3.47 132.00 137.70 2kgi h PRO 11 Ca -0.27 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.48 2kgi h PRO 11 Cb 1.09 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.10 2kgi h PRO 11 CO 1.00 0.37 -0.38 0.00 -0.23 0.00 0.00 178.00 178.77 2kgi s LYS 13 N -3.93 -1.98 0.52 0.00 2.20 -1.26 -4.88 119.74 110.41 2kgi s LYS 13 Ca 0.00 0.16 0.18 0.00 -0.36 0.00 0.00 55.97 55.95 2kgi s LYS 13 Cb 0.00 -1.49 1.31 0.00 -1.51 0.00 0.00 37.83 36.14 2kgi s LYS 13 CO 0.00 -4.26 2.11 -0.44 -0.36 0.00 0.00 175.35 172.40 2kgi h ASP 14 N -2.98 0.00 -2.19 1.43 5.19 -2.06 -3.40 116.42 112.41 2kgi h ASP 14 Ca -0.47 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 55.99 2kgi h ASP 14 Cb 1.32 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.62 2kgi h ASP 14 CO 0.34 0.00 -0.15 -0.54 -3.12 0.00 0.00 179.24 175.78 2kgi s LYS 15 N -5.05 0.56 0.02 3.56 1.02 -1.26 -5.17 119.74 113.42 2kgi s LYS 15 Ca -0.05 1.37 0.02 0.00 0.02 0.00 0.00 55.97 57.34 2kgi s LYS 15 Cb 0.18 0.72 -0.01 0.00 -0.52 0.00 0.00 37.83 38.19 2kgi s LYS 15 CO 0.68 -0.20 -0.07 0.14 -0.92 0.00 0.00 175.35 174.98 2kgi s VAL 16 N 2.71 0.53 -0.03 3.17 -7.23 -1.26 -5.09 120.40 113.20 2kgi s VAL 16 Ca -0.06 -0.69 -0.05 0.00 -1.81 0.00 0.00 61.98 59.37 2kgi s VAL 16 Cb -0.11 -0.53 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 2kgi s VAL 16 CO -0.18 -0.12 0.20 -1.81 -0.31 0.00 0.00 175.10 172.88 2kgi s ASP 17 N -0.89 6.42 0.31 4.85 1.11 -1.26 -5.11 116.67 122.11 2kgi s ASP 17 Ca -0.04 0.45 0.09 0.00 0.18 0.00 0.00 52.55 53.23 2kgi s ASP 17 Cb -0.06 -2.05 -0.06 0.00 1.07 0.00 0.00 42.92 41.82 2kgi s ASP 17 CO 0.00 0.29 -0.11 0.26 1.18 0.00 0.00 175.17 176.79 2kgi s TRP 18 N -1.25 2.25 -0.01 4.23 0.52 -1.25 -2.91 118.94 120.52 2kgi s TRP 18 Ca 0.25 -0.51 -0.00 0.00 0.02 0.00 0.00 56.10 55.85 2kgi s TRP 18 Cb -0.13 -1.22 0.01 0.00 -1.15 0.00 0.00 33.47 30.98 2kgi s TRP 18 CO 0.15 0.54 0.02 0.08 0.02 0.00 0.00 176.95 177.75 2kgi s VAL 19 N -2.69 -0.02 -0.11 4.03 1.01 1.80 -4.75 120.40 119.66 2kgi s VAL 19 Ca 0.31 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 2kgi s VAL 19 Cb 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 36.38 36.32 2kgi s VAL 19 CO 0.15 0.02 0.09 -1.58 0.00 0.00 0.00 175.10 173.78 2kgi s GLN 20 N 0.29 3.31 0.01 2.72 0.74 -1.26 0.14 119.66 125.61 2kgi s GLN 20 Ca -0.02 -0.24 -0.30 0.00 0.05 0.00 0.00 55.36 54.85 2kgi s GLN 20 Cb -0.03 -3.06 -0.04 0.00 1.10 0.00 0.00 33.01 30.98 2kgi s GLN 20 CO -0.01 0.73 1.09 0.00 -0.55 0.00 0.00 175.29 176.55 2kgi n ASP 22 N 4.08 4.88 -1.42 0.00 8.00 0.95 -1.63 116.55 131.41 2kgi n ASP 22 Ca 0.08 -2.48 0.09 0.00 0.71 0.00 0.00 54.79 53.19 2kgi n ASP 22 Cb 0.49 -0.59 0.32 0.00 -0.02 0.00 0.00 41.12 41.31 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 1.14 2.39 0.00 0.44 0.00 -1.26 -4.88 105.19 103.02 2kgi n GLY 23 Ca 0.26 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 1.21 0.61 0.11 -0.02 0.00 -1.26 -4.72 105.19 101.12 2kgi n GLY 24 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.53 -2.80 -4.76 0.00 9.92 -0.64 -4.93 116.55 109.80 2kgi n ASP 26 Ca -0.12 0.25 -0.40 0.00 -0.53 0.00 0.00 54.79 53.98 2kgi n ASP 26 Cb 1.04 -2.60 -0.06 0.00 -0.64 0.00 0.00 41.12 38.86 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 -3.70 4.77 -0.14 -1.24 2.02 -1.26 -4.55 118.70 114.60 2kgi s GLU 27 Ca 0.00 1.40 -0.21 0.00 0.02 0.00 0.00 54.97 56.17 2kgi s GLU 27 Cb 0.00 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 2kgi s GLU 27 CO 0.00 0.53 0.64 -1.58 0.02 0.00 0.00 175.26 174.86 2kgi s TRP 28 N -1.18 3.47 0.45 1.61 0.52 -1.26 -1.25 118.94 121.30 2kgi s TRP 28 Ca 0.40 1.04 0.05 0.00 0.02 0.00 0.00 56.10 57.60 2kgi s TRP 28 Cb -0.25 -2.77 -0.05 0.00 -1.15 0.00 0.00 33.47 29.25 2kgi s TRP 28 CO 0.30 -0.03 0.03 -0.06 0.02 0.00 0.00 176.95 177.21 2kgi s PHE 29 N 1.35 2.24 -0.10 -1.98 0.08 0.12 -0.47 117.98 119.21 2kgi s PHE 29 Ca 0.31 -0.78 -0.05 0.00 0.12 0.00 0.00 56.93 56.53 2kgi s PHE 29 Cb -0.16 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 2kgi s PHE 29 CO 0.13 0.32 0.11 -1.01 -0.10 0.00 0.00 175.22 174.66 2kgi s HIS 30 N -2.77 3.48 0.21 0.36 3.76 0.45 -0.66 115.29 120.13 2kgi s HIS 30 Ca 0.24 0.43 -0.13 0.00 -0.15 0.00 0.00 55.06 55.45 2kgi s HIS 30 Cb 0.06 -1.89 0.26 0.00 1.11 0.00 0.00 32.58 32.12 2kgi s HIS 30 CO 0.12 0.66 1.63 1.96 -0.85 0.00 0.00 174.74 178.27 2kgi h GLN 31 N 4.94 0.02 -0.07 1.40 1.08 -1.41 -1.75 115.11 119.32 2kgi h GLN 31 Ca -0.54 -0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.55 2kgi h GLN 31 Cb 1.22 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2kgi h GLN 31 CO 0.58 0.01 -0.46 -0.39 -0.95 0.00 0.00 178.83 177.61 2kgi h VAL 32 N 0.02 1.33 0.00 -0.54 -1.51 -1.87 0.31 116.25 113.99 2kgi h VAL 32 Ca 0.31 -1.64 -0.20 0.00 -1.23 0.00 0.00 66.70 63.95 2kgi h VAL 32 Cb 0.49 1.80 -0.03 0.00 -2.13 0.00 0.00 31.29 31.42 2kgi h VAL 32 CO -0.64 0.48 -1.15 0.00 -1.23 0.00 0.00 177.57 175.03 2kgi n VAL 34 N -3.16 1.98 -3.35 0.00 3.14 -0.87 -4.95 118.33 111.12 2kgi n VAL 34 Ca -0.06 -1.32 -0.19 0.00 -2.96 0.00 0.00 64.34 59.82 2kgi n VAL 34 Cb 0.90 0.04 0.06 0.00 -1.06 0.00 0.00 33.84 33.79 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 0.75 -0.23 3.89 7.55 0.00 -1.12 -5.03 105.19 111.01 2kgi n GLY 35 Ca 0.24 0.06 -0.34 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 -3.26 5.40 -0.04 1.61 1.01 0.11 -5.04 120.40 120.19 2kgi s VAL 36 Ca 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2kgi s VAL 36 Cb -0.19 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2kgi s VAL 36 CO 0.58 0.36 -0.01 -0.44 0.00 0.00 0.00 175.10 175.59 2kgi s SER 37 N -1.83 5.09 0.34 3.32 0.01 -1.26 -4.34 113.70 115.03 2kgi s SER 37 Ca 0.26 0.05 0.14 0.00 1.31 0.00 0.00 55.95 57.70 2kgi s SER 37 Cb -0.13 -1.36 1.06 0.00 0.21 0.00 0.00 66.02 65.81 2kgi s SER 37 CO 0.17 0.33 1.66 1.55 0.41 0.00 0.00 173.24 177.36 2kgi h PRO 38 N 4.79 0.31 -0.88 12.44 0.13 -1.99 0.21 132.00 147.02 2kgi h PRO 38 Ca -0.50 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2kgi h PRO 38 Cb 1.18 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 2kgi h PRO 38 CO 0.55 0.21 0.48 0.93 -0.23 0.00 0.00 178.00 179.94 2kgi h GLU 39 N 0.32 1.22 -0.01 0.86 5.08 -1.97 -1.45 114.58 118.63 2kgi h GLU 39 Ca 0.72 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.93 2kgi h GLU 39 Cb 1.63 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2kgi h GLU 39 CO -0.61 0.89 -0.03 0.52 -1.00 0.00 0.00 179.01 178.78 2kgi h MET 40 N 1.23 0.05 0.00 2.33 2.86 -0.98 -1.56 114.93 118.85 2kgi h MET 40 Ca 0.31 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.79 2kgi h MET 40 Cb 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2kgi h MET 40 CO -0.05 0.61 -0.61 0.00 1.06 0.00 0.00 176.91 177.92 2kgi h ALA 41 N 0.44 0.76 0.00 6.32 0.00 -1.46 -2.31 119.26 123.00 2kgi h ALA 41 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kgi h ALA 41 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kgi h ALA 41 CO 0.01 0.76 -0.59 0.93 0.00 0.00 0.00 179.25 180.36 2kgi h GLU 42 N 0.00 0.00 0.13 0.00 5.08 -1.30 -3.37 114.58 115.12 2kgi h GLU 42 Ca -0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.99 2kgi h GLU 42 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2kgi h GLU 42 CO 0.08 0.00 -1.98 -1.71 -1.00 0.00 0.00 179.01 174.40 2kgi n ASN 43 N -2.77 2.13 -4.20 1.42 5.15 -0.59 -5.01 115.26 111.39 2kgi n ASN 43 Ca 0.02 0.22 -0.13 0.00 -0.60 0.00 0.00 54.58 54.09 2kgi n ASN 43 Cb 0.53 -0.88 -0.10 0.00 -0.53 0.00 0.00 39.78 38.81 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 -2.56 1.25 0.50 1.20 2.02 -0.88 -5.10 118.70 115.14 2kgi s GLU 44 Ca -0.22 -1.66 -0.23 0.00 0.02 0.00 0.00 54.97 52.87 2kgi s GLU 44 Cb 0.07 0.18 -0.06 0.00 0.10 0.00 0.00 34.13 34.41 2kgi s GLU 44 CO 0.77 -0.38 1.38 -0.51 0.02 0.00 0.00 175.26 176.54 2kgi s ASP 45 N -3.19 5.58 -0.16 -0.19 1.11 -1.26 -4.42 116.67 114.14 2kgi s ASP 45 Ca 0.39 2.81 0.01 0.00 0.18 0.00 0.00 52.55 55.93 2kgi s ASP 45 Cb 0.07 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.42 2kgi s ASP 45 CO 0.13 -1.36 -0.17 -0.47 1.18 0.00 0.00 175.17 174.48 2kgi s TYR 46 N -1.27 2.76 -0.12 4.23 5.04 -1.26 -4.95 117.35 121.79 2kgi s TYR 46 Ca 0.66 -1.16 0.03 0.00 -2.44 0.00 0.00 57.07 54.17 2kgi s TYR 46 Cb -0.41 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.02 2kgi s TYR 46 CO 0.51 -0.54 -0.22 0.42 -1.34 0.00 0.00 175.55 174.38 2kgi s ILE 47 N 0.88 2.19 0.00 3.14 1.01 -1.26 -0.03 121.20 127.13 2kgi s ILE 47 Ca -0.04 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.65 2kgi s ILE 47 Cb -0.15 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.46 2kgi s ILE 47 CO -0.02 0.55 0.00 0.00 0.00 0.00 0.00 174.94 175.47 2kgi n ILE 49 N -0.21 0.33 0.17 0.00 -6.64 -1.26 -2.42 119.36 109.33 2kgi n ILE 49 Ca 0.00 -0.20 0.06 0.00 -1.77 0.00 0.00 62.75 60.85 2kgi n ILE 49 Cb 0.00 -0.30 0.10 0.00 -1.44 0.00 0.00 39.64 37.99 2kgi n ILE 49 CO 0.00 0.00 0.00 0.78 -1.77 0.00 0.00 176.55 175.56 2kgi h ASN 50 N 0.00 0.00 0.00 7.28 2.35 -1.98 -3.33 115.58 119.90 2kgi h ASN 50 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2kgi h ASN 50 Cb 0.67 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 2kgi h ASN 50 CO 0.00 0.30 -1.51 0.00 -1.65 0.00 0.00 177.43 174.56