#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6g s ASP 2 N 0.00 5.56 0.00 -5.58 1.01 -1.26 -0.98 116.67 115.42 1i6g s ASP 2 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.30 1i6g s ASP 2 Cb 0.00 -1.53 0.00 0.00 1.01 0.00 0.00 42.92 42.40 1i6g s ASP 2 CO 0.00 0.21 0.00 0.61 0.21 0.00 0.00 175.17 176.20 1i6g n GLY 3 N 0.71 -1.12 3.81 0.21 0.00 -1.02 -5.00 105.19 102.79 1i6g n GLY 3 Ca -0.10 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 1i6g n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i6g s TYR 4 N -2.13 3.53 0.22 1.61 1.51 -1.26 -2.38 117.35 118.44 1i6g s TYR 4 Ca 0.00 0.48 -0.30 0.00 -1.01 0.00 0.00 57.07 56.24 1i6g s TYR 4 Cb 0.00 -2.06 -0.08 0.00 -0.11 0.00 0.00 41.96 39.71 1i6g s TYR 4 CO 0.00 0.54 1.15 -1.25 -1.11 0.00 0.00 175.55 174.88 1i6g s PRO 5 N -0.43 4.56 0.39 -1.71 0.04 -1.26 -1.32 135.00 135.27 1i6g s PRO 5 Ca 0.13 1.83 0.08 0.00 0.04 0.00 0.00 61.00 63.07 1i6g s PRO 5 Cb -0.12 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 1i6g s PRO 5 CO 0.02 0.05 0.12 0.14 0.04 0.00 0.00 177.00 177.37 1i6g s VAL 6 N -0.50 2.44 0.00 -0.36 -7.23 -1.01 0.41 120.40 114.15 1i6g s VAL 6 Ca 0.49 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1i6g s VAL 6 Cb -0.32 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.67 1i6g s VAL 6 CO 0.38 -0.07 0.00 -0.90 -0.31 0.00 0.00 175.10 174.20 1i6g n ASP 7 N -1.13 0.63 0.00 4.85 5.68 -0.84 -4.90 116.55 120.84 1i6g n ASP 7 Ca -0.02 -0.99 0.05 0.00 -0.50 0.00 0.00 54.79 53.32 1i6g n ASP 7 Cb 0.64 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.83 1i6g n ASP 7 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1i6g n SER 8 N -2.35 0.00 0.00 -1.12 3.41 -1.26 -1.91 113.62 110.39 1i6g n SER 8 Ca 0.00 0.41 -0.02 0.00 -0.26 0.00 0.00 58.87 59.00 1i6g n SER 8 Cb 0.00 -0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 63.40 1i6g n SER 8 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i6g n LYS 9 N -1.44 0.63 0.00 4.33 3.00 -1.26 -4.97 118.16 118.45 1i6g n LYS 9 Ca 0.03 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 1i6g n LYS 9 Cb 0.10 -1.75 0.00 0.00 0.00 0.00 0.00 35.03 33.38 1i6g n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i6g n GLY 10 N 1.47 1.39 3.43 3.14 0.00 -0.80 -5.10 105.19 108.72 1i6g n GLY 10 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1i6g n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6g s LYS 12 N -0.36 1.11 0.10 0.00 1.02 -1.26 -1.99 119.74 118.36 1i6g s LYS 12 Ca 0.04 1.41 -0.20 0.00 0.02 0.00 0.00 55.97 57.23 1i6g s LYS 12 Cb -0.12 -1.75 -0.07 0.00 -0.52 0.00 0.00 37.83 35.37 1i6g s LYS 12 CO 0.02 -2.52 0.61 -1.17 -0.92 0.00 0.00 175.35 171.37 1i6g s LEU 13 N -6.52 4.53 0.36 3.17 2.96 0.16 -4.85 118.68 118.51 1i6g s LEU 13 Ca 0.66 1.34 -0.21 0.00 -0.22 0.00 0.00 54.13 55.69 1i6g s LEU 13 Cb -0.22 -2.99 -0.10 0.00 0.50 0.00 0.00 46.19 43.38 1i6g s LEU 13 CO 0.58 0.25 0.89 -0.44 -1.32 0.00 0.00 176.35 176.32 1i6g s SER 14 N -1.14 7.05 -0.10 3.68 0.01 -1.26 -0.50 113.70 121.44 1i6g s SER 14 Ca 0.31 1.64 0.01 0.00 1.31 0.00 0.00 55.95 59.22 1i6g s SER 14 Cb -0.20 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 1i6g s SER 14 CO 0.20 -0.21 -0.11 0.00 0.41 0.00 0.00 173.24 173.53 1i6g n VAL 16 N 2.89 0.13 -3.83 0.00 3.14 -1.26 -4.56 118.33 114.84 1i6g n VAL 16 Ca -0.18 -0.27 -0.09 0.00 -2.96 0.00 0.00 64.34 60.84 1i6g n VAL 16 Cb 0.53 0.07 -0.05 0.00 -1.06 0.00 0.00 33.84 33.33 1i6g n VAL 16 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1i6g s ALA 17 N -2.63 -0.60 0.15 1.55 0.00 -1.26 -5.03 121.76 113.94 1i6g s ALA 17 Ca -0.04 -0.48 0.16 0.00 0.00 0.00 0.00 51.96 51.60 1i6g s ALA 17 Cb 0.06 0.87 0.49 0.00 0.00 0.00 0.00 23.12 24.54 1i6g s ALA 17 CO 0.43 -0.76 1.65 -0.91 0.00 0.00 0.00 175.76 176.17 1i6g h ASN 18 N 2.31 0.00 -0.01 0.00 2.35 -1.94 -3.17 115.58 115.12 1i6g h ASN 18 Ca -0.29 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.19 1i6g h ASN 18 Cb 1.25 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.64 1i6g h ASN 18 CO 0.40 0.47 -1.02 -0.55 -1.65 0.00 0.00 177.43 175.09 1i6g h ASN 19 N 0.00 0.91 -0.39 5.81 -1.07 -1.96 -2.32 115.58 116.56 1i6g h ASN 19 Ca -0.00 -0.73 0.05 0.00 0.07 0.00 0.00 56.30 55.68 1i6g h ASN 19 Cb 1.04 -0.28 -0.04 0.00 -2.07 0.00 0.00 38.32 36.97 1i6g h ASN 19 CO 0.06 1.52 0.14 0.22 0.07 0.00 0.00 177.43 179.44 1i6g h TYR 20 N 0.39 0.24 -0.46 4.14 3.20 -1.95 -2.14 116.97 120.40 1i6g h TYR 20 Ca -0.13 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.68 1i6g h TYR 20 Cb 1.67 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.88 1i6g h TYR 20 CO 0.10 0.10 -0.04 0.00 -1.64 0.00 0.00 178.16 176.68 1i6g h ASP 22 N 0.68 -0.29 0.05 0.00 1.82 -0.81 1.17 116.42 119.04 1i6g h ASP 22 Ca 0.12 0.20 -0.00 0.00 -0.39 0.00 0.00 57.03 56.96 1i6g h ASP 22 Cb 0.56 0.34 0.00 0.00 0.68 0.00 0.00 39.33 40.91 1i6g h ASP 22 CO 0.03 -0.19 -0.02 -1.13 -1.61 0.00 0.00 179.24 176.32 1i6g h ASN 23 N 0.12 -0.06 0.04 2.28 -0.73 -1.24 -0.56 115.58 115.43 1i6g h ASN 23 Ca 0.46 -0.47 0.03 0.00 1.87 0.00 0.00 56.30 58.18 1i6g h ASN 23 Cb 0.84 0.02 -0.04 0.00 0.27 0.00 0.00 38.32 39.40 1i6g h ASN 23 CO -0.69 0.46 -0.30 -0.61 -0.37 0.00 0.00 177.43 175.93 1i6g h GLN 24 N -0.60 -0.45 -0.06 6.67 5.75 -0.21 0.95 115.11 127.16 1i6g h GLN 24 Ca -0.01 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1i6g h GLN 24 Cb 0.52 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.14 1i6g h GLN 24 CO 0.01 -0.30 -0.14 0.00 -2.65 0.00 0.00 178.83 175.75 1i6g h LYS 26 N -0.20 0.52 -0.93 0.00 3.64 -0.49 0.38 116.57 119.49 1i6g h LYS 26 Ca 0.07 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1i6g h LYS 26 Cb 0.30 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1i6g h LYS 26 CO -0.18 0.35 0.60 0.52 -2.27 0.00 0.00 179.45 178.47 1i6g h MET 27 N 0.54 1.23 -0.93 1.90 2.86 0.95 -0.88 114.93 120.60 1i6g h MET 27 Ca 0.59 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 58.02 1i6g h MET 27 Cb 1.25 -0.27 -0.08 0.00 0.06 0.00 0.00 31.60 32.56 1i6g h MET 27 CO -0.35 0.83 0.16 1.63 1.06 0.00 0.00 176.91 180.23 1i6g n LYS 28 N -4.42 1.93 -3.45 1.72 4.76 0.12 -4.84 118.16 113.97 1i6g n LYS 28 Ca 0.10 -1.23 -0.25 0.00 -2.87 0.00 0.00 58.31 54.06 1i6g n LYS 28 Cb 0.02 -1.61 0.03 0.00 -1.84 0.00 0.00 35.03 31.63 1i6g n LYS 28 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1i6g n LYS 29 N -0.00 -5.07 -2.17 1.97 4.81 -0.34 -4.56 118.16 112.80 1i6g n LYS 29 Ca 0.19 0.69 -0.27 0.00 -0.87 0.00 0.00 58.31 58.05 1i6g n LYS 29 Cb 0.84 -5.55 0.12 0.00 0.02 0.00 0.00 35.03 30.46 1i6g n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i6g s ALA 30 N -3.16 2.93 0.00 3.14 0.00 -0.38 -4.42 121.76 119.87 1i6g s ALA 30 Ca 0.48 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1i6g s ALA 30 Cb -0.23 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1i6g s ALA 30 CO 0.59 -1.75 0.00 0.45 0.00 0.00 0.00 175.76 175.05 1i6g n SER 31 N -3.22 1.43 -3.48 0.00 2.88 0.77 -4.59 113.62 107.41 1i6g n SER 31 Ca 0.12 -0.17 -0.28 0.00 -1.33 0.00 0.00 58.87 57.21 1i6g n SER 31 Cb 0.60 0.63 -0.11 0.00 -0.75 0.00 0.00 64.21 64.59 1i6g n SER 31 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1i6g s GLY 32 N -0.92 1.33 -0.20 0.46 0.00 0.33 -4.85 107.32 103.46 1i6g s GLY 32 Ca 0.00 -2.48 -0.15 0.00 0.00 0.00 0.00 44.72 42.09 1i6g s GLY 32 CO 0.00 1.98 0.37 -0.32 0.00 0.00 0.00 173.10 175.13 1i6g s GLY 33 N 0.13 2.08 -0.07 0.20 0.00 -1.26 0.59 107.32 108.99 1i6g s GLY 33 Ca 0.28 -0.56 -0.27 0.00 0.00 0.00 0.00 44.72 44.17 1i6g s GLY 33 CO -0.14 0.77 0.62 -2.38 0.00 0.00 0.00 173.10 171.97 1i6g s HIS 34 N 1.28 -0.59 -0.19 1.90 -3.43 -0.89 -4.15 115.29 109.21 1i6g s HIS 34 Ca 0.18 1.08 -0.23 0.00 -0.80 0.00 0.00 55.06 55.29 1i6g s HIS 34 Cb -0.15 0.34 -0.02 0.00 -1.43 0.00 0.00 32.58 31.32 1i6g s HIS 34 CO 0.08 -0.54 0.74 0.00 -2.00 0.00 0.00 174.74 173.02 1i6g s TYR 36 N 2.16 -0.20 -1.58 0.00 6.14 -0.79 -4.83 117.35 118.24 1i6g s TYR 36 Ca 0.34 0.48 0.00 0.00 0.64 0.00 0.00 57.07 58.52 1i6g s TYR 36 Cb -0.16 0.07 0.00 0.00 0.42 0.00 0.00 41.96 42.29 1i6g s TYR 36 CO 0.11 -0.15 0.00 0.00 0.64 0.00 0.00 175.55 176.15 1i6g n ALA 37 N 2.69 -0.29 -0.92 3.97 0.00 -1.26 -1.52 120.51 123.18 1i6g n ALA 37 Ca -0.14 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1i6g n ALA 37 Cb 0.58 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1i6g n ALA 37 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1i6g n MET 38 N -2.54 -0.50 -4.33 0.00 1.56 -1.26 -4.98 117.12 105.07 1i6g n MET 38 Ca -0.16 0.13 -0.22 0.00 -0.27 0.00 0.00 57.70 57.17 1i6g n MET 38 Cb 0.54 -3.63 -0.11 0.00 2.15 0.00 0.00 33.22 32.17 1i6g n MET 38 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1i6g s SER 39 N -2.23 2.69 -0.00 6.12 0.01 -0.57 -2.46 113.70 117.25 1i6g s SER 39 Ca 0.00 -0.83 -0.29 0.00 1.31 0.00 0.00 55.95 56.14 1i6g s SER 39 Cb 0.00 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 1i6g s SER 39 CO 0.00 -0.01 0.93 0.00 0.41 0.00 0.00 173.24 174.57 1i6g s TYR 41 N 0.92 1.74 -0.11 0.00 5.04 -0.98 -4.10 117.35 119.86 1i6g s TYR 41 Ca 0.49 -0.91 -0.03 0.00 -2.44 0.00 0.00 57.07 54.18 1i6g s TYR 41 Cb -0.21 -1.36 -0.03 0.00 0.35 0.00 0.00 41.96 40.71 1i6g s TYR 41 CO 0.26 -0.56 0.00 0.00 -1.34 0.00 0.00 175.55 173.92 1i6g s GLU 43 N -0.45 2.99 0.00 0.00 2.12 0.20 -2.43 118.70 121.13 1i6g s GLU 43 Ca 0.08 -0.91 0.00 0.00 0.36 0.00 0.00 54.97 54.50 1i6g s GLU 43 Cb -0.12 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1i6g s GLU 43 CO 0.02 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 1i6g n GLY 44 N 4.80 0.82 3.62 -1.50 0.00 -1.18 0.12 105.19 111.87 1i6g n GLY 44 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1i6g n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6g s LEU 45 N 0.00 1.72 0.54 0.99 1.43 -0.16 -4.38 118.68 118.82 1i6g s LEU 45 Ca 0.00 1.58 -0.19 0.00 -1.03 0.00 0.00 54.13 54.48 1i6g s LEU 45 Cb 0.00 -3.76 -0.06 0.00 0.03 0.00 0.00 46.19 42.40 1i6g s LEU 45 CO 0.00 -3.39 1.11 -2.16 0.23 0.00 0.00 176.35 172.13 1i6g s PRO 46 N -4.71 3.43 0.65 1.29 0.04 -1.26 -0.27 135.00 134.17 1i6g s PRO 46 Ca 0.66 1.55 0.27 0.00 0.04 0.00 0.00 61.00 63.52 1i6g s PRO 46 Cb -0.22 -2.02 1.47 0.00 0.04 0.00 0.00 34.50 33.77 1i6g s PRO 46 CO 0.60 -0.78 1.84 1.49 0.04 0.00 0.00 177.00 180.20 1i6g h GLU 47 N 1.22 0.00 -0.27 4.56 4.22 -1.93 0.17 114.58 122.55 1i6g h GLU 47 Ca -0.50 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 58.84 1i6g h GLU 47 Cb 1.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1i6g h GLU 47 CO 0.57 0.00 -0.08 0.27 -2.18 0.00 0.00 179.01 177.59 1i6g n ASN 48 N -3.05 2.76 -4.72 1.04 0.23 -1.26 -4.99 115.26 105.27 1i6g n ASN 48 Ca 0.01 -3.53 -0.32 0.00 -0.53 0.00 0.00 54.58 50.21 1i6g n ASN 48 Cb 0.50 -0.59 0.12 0.00 -2.08 0.00 0.00 39.78 37.73 1i6g n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i6g s ALA 49 N -3.11 1.94 -0.77 -2.53 0.00 0.60 -4.93 121.76 112.96 1i6g s ALA 49 Ca 0.42 0.62 -0.18 0.00 0.00 0.00 0.00 51.96 52.82 1i6g s ALA 49 Cb 0.37 -3.41 0.14 0.00 0.00 0.00 0.00 23.12 20.22 1i6g s ALA 49 CO 0.02 -2.13 0.90 0.21 0.00 0.00 0.00 175.76 174.76 1i6g s LYS 50 N -4.41 3.37 0.26 0.00 2.47 -1.26 -5.00 119.74 115.18 1i6g s LYS 50 Ca 0.68 -1.69 0.02 0.00 -1.56 0.00 0.00 55.97 53.43 1i6g s LYS 50 Cb -0.23 -4.54 -0.04 0.00 -1.46 0.00 0.00 37.83 31.56 1i6g s LYS 50 CO 0.52 -1.60 0.17 0.14 0.16 0.00 0.00 175.35 174.74 1i6g s VAL 51 N 2.26 0.11 0.39 4.02 -7.23 -1.25 -2.39 120.40 116.31 1i6g s VAL 51 Ca 0.22 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.34 1i6g s VAL 51 Cb -0.13 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1i6g s VAL 51 CO -0.03 0.00 0.66 -0.55 -0.31 0.00 0.00 175.10 174.88 1i6g s SER 52 N -3.28 6.34 -0.05 4.85 0.15 -0.43 -4.88 113.70 116.40 1i6g s SER 52 Ca 0.39 0.77 0.12 0.00 0.70 0.00 0.00 55.95 57.93 1i6g s SER 52 Cb 0.05 -2.17 0.38 0.00 -1.71 0.00 0.00 66.02 62.57 1i6g s SER 52 CO 0.18 -0.39 1.31 -0.90 1.20 0.00 0.00 173.24 174.64 1i6g n ASP 53 N -1.70 3.23 -4.44 5.45 5.68 -1.26 -4.24 116.55 119.26 1i6g n ASP 53 Ca -0.01 -2.29 -0.34 0.00 -0.50 0.00 0.00 54.79 51.65 1i6g n ASP 53 Cb 0.55 -0.33 -0.13 0.00 -1.14 0.00 0.00 41.12 40.08 1i6g n ASP 53 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1i6g s SER 54 N -1.25 4.69 0.00 -1.12 1.04 -1.26 -4.97 113.70 110.84 1i6g s SER 54 Ca 0.29 -0.21 0.22 0.00 0.48 0.00 0.00 55.95 56.73 1i6g s SER 54 Cb 0.19 -1.78 1.15 0.00 0.10 0.00 0.00 66.02 65.67 1i6g s SER 54 CO 0.14 0.10 1.71 0.00 0.98 0.00 0.00 173.24 176.16 1i6g n ALA 55 N 4.01 2.17 -3.17 5.32 0.00 -1.26 -4.43 120.51 123.14 1i6g n ALA 55 Ca -0.17 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.18 1i6g n ALA 55 Cb 0.52 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 1i6g n ALA 55 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1i6g s THR 56 N -2.46 -0.98 0.25 0.00 -1.32 -1.26 -5.12 115.64 104.74 1i6g s THR 56 Ca 0.23 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.60 1i6g s THR 56 Cb 0.15 -0.51 -0.01 0.00 -1.51 0.00 0.00 72.50 70.62 1i6g s THR 56 CO 0.32 0.00 0.46 0.54 -2.21 0.00 0.00 174.62 173.73 1i6g s ASN 57 N 2.37 -0.03 -0.04 8.08 4.22 -1.26 -5.18 114.94 123.10 1i6g s ASN 57 Ca 0.13 -0.99 -0.30 0.00 -2.14 0.00 0.00 52.86 49.56 1i6g s ASN 57 Cb -0.07 0.58 0.07 0.00 1.28 0.00 0.00 41.25 43.11 1i6g s ASN 57 CO -0.17 -1.13 0.66 -0.51 -2.04 0.00 0.00 177.10 173.91 1i6g s ILE 58 N -3.97 0.00 0.00 0.54 2.07 -1.26 -5.01 121.20 113.57 1i6g s ILE 58 Ca 0.24 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.46 1i6g s ILE 58 Cb -0.00 -0.99 0.00 0.00 0.13 0.00 0.00 42.46 41.60 1i6g s ILE 58 CO 0.10 -0.01 0.00 0.00 -1.91 0.00 0.00 174.94 173.12