#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 4.11 0.00 -5.58 1.01 -1.26 0.83 116.67 115.78 1i6g s ASP 2 Ca 0.00 -1.37 0.00 0.00 0.71 0.00 0.00 52.55 51.89 1i6g s ASP 2 Cb 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 42.92 43.81 1i6g s ASP 2 CO 0.00 -0.62 0.00 0.61 0.21 0.00 0.00 175.17 175.37 1i6g n GLY 3 N -1.16 -1.01 3.52 0.21 0.00 -0.98 -4.96 105.19 100.81 1i6g n GLY 3 Ca -0.08 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.85 3.02 0.27 1.61 1.51 -1.26 -1.48 117.35 118.17 1i6g s TYR 4 Ca 0.00 -0.22 -0.29 0.00 -1.01 0.00 0.00 57.07 55.55 1i6g s TYR 4 Cb 0.00 -1.91 -0.09 0.00 -0.11 0.00 0.00 41.96 39.85 1i6g s TYR 4 CO 0.00 0.06 1.21 -1.25 -1.11 0.00 0.00 175.55 174.45 1i6g s PRO 5 N 0.09 4.50 0.39 -1.71 0.04 -1.25 -0.99 135.00 136.07 1i6g s PRO 5 Ca -0.01 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.09 1i6g s PRO 5 Cb -0.14 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 1i6g s PRO 5 CO 0.03 -0.02 0.14 0.14 0.04 0.00 0.00 177.00 177.33 1i6g s VAL 6 N -0.83 2.43 0.74 -0.36 -7.23 -0.78 -0.95 120.40 113.42 1i6g s VAL 6 Ca 0.49 -1.76 -0.08 0.00 -1.81 0.00 0.00 61.98 58.82 1i6g s VAL 6 Cb -0.35 -2.96 0.16 0.00 0.56 0.00 0.00 36.38 33.79 1i6g s VAL 6 CO 0.44 -0.06 1.01 -0.90 -0.31 0.00 0.00 175.10 175.28 1i6g n ASP 7 N -1.16 0.61 0.23 4.85 5.68 -0.38 -4.81 116.55 121.57 1i6g n ASP 7 Ca -0.02 -1.69 0.11 0.00 -0.50 0.00 0.00 54.79 52.69 1i6g n ASP 7 Cb 0.64 -0.72 0.59 0.00 -1.14 0.00 0.00 41.12 40.48 1i6g n ASP 7 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1i6g h SER 8 N -1.03 0.00 0.21 -1.12 4.64 -2.00 -0.58 113.55 113.66 1i6g h SER 8 Ca -0.33 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.64 1i6g h SER 8 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1i6g h SER 8 CO 0.28 0.00 -1.85 0.50 -0.87 0.00 0.00 176.83 174.90 1i6g h LYS 9 N 0.00 0.29 0.00 4.77 3.64 -2.03 -3.48 116.57 119.76 1i6g h LYS 9 Ca 0.00 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1i6g h LYS 9 Cb 0.51 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1i6g h LYS 9 CO 0.00 1.18 0.00 0.41 -2.27 0.00 0.00 179.45 178.77 1i6g n GLY 10 N 1.88 0.58 3.77 5.01 0.00 -0.23 -5.12 105.19 111.09 1i6g n GLY 10 Ca -0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1i6g n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6g n LYS 12 N 2.50 -0.96 -3.52 0.00 5.02 -1.26 -1.25 118.16 118.69 1i6g n LYS 12 Ca -0.07 -0.25 -0.41 0.00 -2.02 0.00 0.00 58.31 55.56 1i6g n LYS 12 Cb 0.51 -1.77 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 1i6g n LYS 12 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1i6g s LEU 13 N -1.08 4.61 0.46 -0.35 2.96 -0.13 -4.64 118.68 120.51 1i6g s LEU 13 Ca 0.56 -0.51 -0.24 0.00 -0.22 0.00 0.00 54.13 53.72 1i6g s LEU 13 Cb -0.16 -2.14 -0.07 0.00 0.50 0.00 0.00 46.19 44.32 1i6g s LEU 13 CO 0.67 -0.27 1.29 -0.44 -1.32 0.00 0.00 176.35 176.28 1i6g s SER 14 N 1.71 5.99 0.00 3.68 0.01 -1.26 -1.52 113.70 122.31 1i6g s SER 14 Ca 0.06 2.61 0.00 0.00 1.31 0.00 0.00 55.95 59.93 1i6g s SER 14 Cb -0.18 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.42 1i6g s SER 14 CO 0.10 -1.07 0.01 0.00 0.41 0.00 0.00 173.24 172.69 1i6g n VAL 16 N -0.01 0.00 -4.14 0.00 3.14 -1.26 -4.69 118.33 111.37 1i6g n VAL 16 Ca 0.00 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.12 1i6g n VAL 16 Cb 0.01 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.72 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 -1.00 3.39 0.06 1.55 0.00 -1.26 -4.89 121.76 119.61 1i6g s ALA 17 Ca 0.00 -1.29 -0.15 0.00 0.00 0.00 0.00 51.96 50.52 1i6g s ALA 17 Cb 0.00 -1.18 -0.25 0.00 0.00 0.00 0.00 23.12 21.69 1i6g s ALA 17 CO 0.00 0.50 1.15 -0.91 0.00 0.00 0.00 175.76 176.49 1i6g h ASN 18 N 2.57 0.85 -1.04 0.00 2.35 -1.92 -3.20 115.58 115.20 1i6g h ASN 18 Ca -0.47 -0.77 0.27 0.00 -0.55 0.00 0.00 56.30 54.78 1i6g h ASN 18 Cb 1.20 -0.26 -0.08 0.00 0.05 0.00 0.00 38.32 39.23 1i6g h ASN 18 CO 0.61 1.51 0.69 -0.55 -1.65 0.00 0.00 177.43 178.04 1i6g h ASN 19 N 0.28 0.35 0.38 5.81 -1.07 -1.96 0.36 115.58 119.72 1i6g h ASN 19 Ca -0.14 0.06 -0.01 0.00 0.07 0.00 0.00 56.30 56.28 1i6g h ASN 19 Cb 1.70 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.95 1i6g h ASN 19 CO 0.20 0.08 -0.23 0.22 0.07 0.00 0.00 177.43 177.76 1i6g h TYR 20 N 0.31 -0.62 -0.20 4.14 3.20 -1.91 -2.72 116.97 119.18 1i6g h TYR 20 Ca 0.56 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.37 1i6g h TYR 20 Cb 1.59 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 40.08 1i6g h TYR 20 CO -0.00 -0.36 -0.09 0.00 -1.64 0.00 0.00 178.16 176.06 1i6g h ASP 22 N 0.12 -0.65 0.26 0.00 3.58 0.12 0.82 116.42 120.67 1i6g h ASP 22 Ca 0.05 0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 1i6g h ASP 22 Cb 0.57 0.51 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1i6g h ASP 22 CO 0.03 -0.30 -0.13 -1.13 -2.88 0.00 0.00 179.24 174.83 1i6g h ASN 23 N 0.02 -0.30 -0.29 2.28 -0.73 -1.44 -2.34 115.58 112.79 1i6g h ASN 23 Ca 0.49 0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.72 1i6g h ASN 23 Cb 0.86 0.08 -0.08 0.00 0.27 0.00 0.00 38.32 39.44 1i6g h ASN 23 CO -0.89 0.13 -0.44 -0.61 -0.37 0.00 0.00 177.43 175.24 1i6g h GLN 24 N -1.04 -0.40 -0.26 6.67 5.75 -0.83 0.37 115.11 125.38 1i6g h GLN 24 Ca -0.04 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.55 1i6g h GLN 24 Cb 0.27 0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.84 1i6g h GLN 24 CO 0.06 -0.26 -0.23 0.00 -2.65 0.00 0.00 178.83 175.75 1i6g h LYS 26 N -0.22 0.18 -0.82 0.00 1.63 -0.68 0.18 116.57 116.83 1i6g h LYS 26 Ca 0.14 -0.01 0.13 0.00 -0.85 0.00 0.00 60.65 60.06 1i6g h LYS 26 Cb 0.44 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.97 1i6g h LYS 26 CO -0.39 0.12 0.54 0.52 -3.45 0.00 0.00 179.45 176.79 1i6g h MET 27 N 0.19 0.61 -0.63 1.90 2.86 0.23 0.36 114.93 120.45 1i6g h MET 27 Ca 0.32 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1i6g h MET 27 Cb 0.50 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1i6g h MET 27 CO -0.46 0.40 0.00 1.63 1.06 0.00 0.00 176.91 179.54 1i6g n LYS 28 N -4.52 1.83 -2.79 1.72 4.76 0.50 -4.85 118.16 114.82 1i6g n LYS 28 Ca 0.15 -0.80 -0.08 0.00 -2.87 0.00 0.00 58.31 54.71 1i6g n LYS 28 Cb 0.44 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.16 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 0.14 -2.63 -3.84 1.97 4.81 0.12 -4.54 118.16 114.20 1i6g n LYS 29 Ca 0.07 0.28 -0.23 0.00 -0.87 0.00 0.00 58.31 57.56 1i6g n LYS 29 Cb 0.38 -3.66 -0.04 0.00 0.02 0.00 0.00 35.03 31.73 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 -3.11 3.98 0.00 3.14 0.00 -0.52 -3.87 121.76 121.38 1i6g s ALA 30 Ca 0.15 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1i6g s ALA 30 Cb -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1i6g s ALA 30 CO 0.25 -0.26 0.00 0.45 0.00 0.00 0.00 175.76 176.20 1i6g n SER 31 N -1.49 3.52 -4.22 0.00 2.88 0.44 -4.24 113.62 110.52 1i6g n SER 31 Ca 0.01 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1i6g n SER 31 Cb 0.63 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.05 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 -4.02 2.87 -0.31 0.46 0.00 -0.99 -4.84 107.32 100.49 1i6g s GLY 32 Ca 0.00 -3.58 -0.10 0.00 0.00 0.00 0.00 44.72 41.04 1i6g s GLY 32 CO 0.00 1.22 0.16 -0.32 0.00 0.00 0.00 173.10 174.17 1i6g s GLY 33 N 1.00 1.88 0.25 0.20 0.00 -1.26 -1.34 107.32 108.05 1i6g s GLY 33 Ca 0.23 -1.39 -0.16 0.00 0.00 0.00 0.00 44.72 43.41 1i6g s GLY 33 CO -0.08 0.71 0.55 -2.38 0.00 0.00 0.00 173.10 171.90 1i6g s HIS 34 N 1.63 0.14 -0.23 1.90 -3.43 -0.93 -0.57 115.29 113.80 1i6g s HIS 34 Ca 0.05 -0.53 -0.17 0.00 -0.80 0.00 0.00 55.06 53.61 1i6g s HIS 34 Cb -0.17 0.37 -0.03 0.00 -1.43 0.00 0.00 32.58 31.31 1i6g s HIS 34 CO 0.07 -1.05 0.45 0.00 -2.00 0.00 0.00 174.74 172.20 1i6g s TYR 36 N 1.75 0.27 -1.60 0.00 6.14 0.83 -4.83 117.35 119.92 1i6g s TYR 36 Ca 0.20 -0.12 -0.16 0.00 0.64 0.00 0.00 57.07 57.63 1i6g s TYR 36 Cb -0.15 -0.17 0.11 0.00 0.42 0.00 0.00 41.96 42.17 1i6g s TYR 36 CO 0.09 -0.03 0.92 0.00 0.64 0.00 0.00 175.55 177.18 1i6g n ALA 37 N 2.77 -1.27 -1.18 3.97 0.00 -1.26 0.73 120.51 124.27 1i6g n ALA 37 Ca -0.14 0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 1i6g n ALA 37 Cb 0.58 -4.18 -0.03 0.00 0.00 0.00 0.00 19.45 15.83 1i6g n ALA 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i6g n MET 38 N -4.59 -1.67 -4.17 0.00 2.81 -1.26 -4.94 117.12 103.30 1i6g n MET 38 Ca 0.06 0.69 -0.18 0.00 -1.81 0.00 0.00 57.70 56.46 1i6g n MET 38 Cb 0.51 -5.04 -0.12 0.00 -0.71 0.00 0.00 33.22 27.86 1i6g n MET 38 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1i6g s SER 39 N -2.26 1.55 0.16 7.83 0.01 0.22 -2.18 113.70 119.03 1i6g s SER 39 Ca 0.00 -0.59 -0.30 0.00 1.31 0.00 0.00 55.95 56.37 1i6g s SER 39 Cb 0.00 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.12 1i6g s SER 39 CO 0.00 -0.09 0.96 0.00 0.41 0.00 0.00 173.24 174.53 1i6g s TYR 41 N -0.39 1.49 -0.02 0.00 5.04 -0.49 -3.75 117.35 119.23 1i6g s TYR 41 Ca 0.45 -0.74 0.04 0.00 -2.44 0.00 0.00 57.07 54.38 1i6g s TYR 41 Cb -0.25 -1.23 -0.03 0.00 0.35 0.00 0.00 41.96 40.80 1i6g s TYR 41 CO 0.31 -0.50 -0.11 0.00 -1.34 0.00 0.00 175.55 173.90 1i6g s GLU 43 N -1.09 2.77 0.00 0.00 2.12 -0.45 -2.33 118.70 119.72 1i6g s GLU 43 Ca 0.14 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.43 1i6g s GLU 43 Cb -0.11 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1i6g s GLU 43 CO 0.04 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.68 1i6g n GLY 44 N 4.71 0.33 3.47 -1.50 0.00 -1.03 0.17 105.19 111.34 1i6g n GLY 44 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1i6g n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i6g n LEU 45 N 0.00 0.76 -4.80 0.99 4.77 0.24 -4.30 117.00 114.66 1i6g n LEU 45 Ca 0.00 0.42 -0.32 0.00 -0.03 0.00 0.00 56.01 56.08 1i6g n LEU 45 Cb 0.00 -1.26 0.03 0.00 -2.33 0.00 0.00 43.42 39.86 1i6g n LEU 45 CO 0.00 -3.21 0.72 -2.16 -1.33 0.00 0.00 177.39 171.40 1i6g s PRO 46 N -3.56 3.06 0.34 3.23 0.04 -1.26 0.26 135.00 137.10 1i6g s PRO 46 Ca 0.61 1.14 0.22 0.00 0.04 0.00 0.00 61.00 63.02 1i6g s PRO 46 Cb -0.25 -2.00 1.22 0.00 0.04 0.00 0.00 34.50 33.51 1i6g s PRO 46 CO 0.63 -1.02 1.68 1.49 0.04 0.00 0.00 177.00 179.83 1i6g h GLU 47 N -0.10 0.00 -0.25 4.56 4.57 -1.92 0.14 114.58 121.58 1i6g h GLU 47 Ca -0.46 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.65 1i6g h GLU 47 Cb 1.22 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.77 1i6g h GLU 47 CO 0.56 0.00 -0.05 0.27 -1.18 0.00 0.00 179.01 178.62 1i6g n ASN 48 N -2.30 3.04 -4.77 1.04 6.94 -1.26 -5.02 115.26 112.93 1i6g n ASN 48 Ca -0.01 -3.36 -0.32 0.00 -0.02 0.00 0.00 54.58 50.87 1i6g n ASN 48 Cb 0.06 -0.57 0.07 0.00 -2.36 0.00 0.00 39.78 36.98 1i6g n ASN 48 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i6g s ALA 49 N -3.02 2.39 -1.05 -2.53 0.00 0.04 -4.94 121.76 112.66 1i6g s ALA 49 Ca 0.42 0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 1i6g s ALA 49 Cb 0.36 -3.29 0.13 0.00 0.00 0.00 0.00 23.12 20.33 1i6g s ALA 49 CO 0.04 -1.48 1.28 0.21 0.00 0.00 0.00 175.76 175.81 1i6g s LYS 50 N -4.51 3.78 0.24 0.00 2.20 -1.26 -4.96 119.74 115.22 1i6g s LYS 50 Ca 0.64 -1.99 0.01 0.00 -0.36 0.00 0.00 55.97 54.26 1i6g s LYS 50 Cb -0.18 -5.03 -0.04 0.00 -1.51 0.00 0.00 37.83 31.06 1i6g s LYS 50 CO 0.49 -1.83 0.13 0.14 -0.36 0.00 0.00 175.35 173.92 1i6g s VAL 51 N 2.58 0.24 0.27 4.02 -7.23 -1.26 -1.86 120.40 117.16 1i6g s VAL 51 Ca 0.38 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.41 1i6g s VAL 51 Cb -0.03 -2.55 -0.08 0.00 0.56 0.00 0.00 36.38 34.27 1i6g s VAL 51 CO -0.06 0.00 0.66 -0.55 -0.31 0.00 0.00 175.10 174.85 1i6g s SER 52 N -3.25 6.77 0.00 4.85 0.15 -0.16 -4.87 113.70 117.18 1i6g s SER 52 Ca 0.38 1.18 0.17 0.00 0.70 0.00 0.00 55.95 58.38 1i6g s SER 52 Cb 0.07 -2.33 0.45 0.00 -1.71 0.00 0.00 66.02 62.50 1i6g s SER 52 CO 0.14 -0.11 1.37 -0.90 1.20 0.00 0.00 173.24 174.94 1i6g n ASP 53 N -0.06 3.38 -3.67 5.45 5.68 -1.26 -4.24 116.55 121.83 1i6g n ASP 53 Ca 0.01 -1.97 -0.11 0.00 -0.50 0.00 0.00 54.79 52.22 1i6g n ASP 53 Cb 0.53 -0.33 -0.12 0.00 -1.14 0.00 0.00 41.12 40.06 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 -1.06 0.01 0.18 -1.12 1.04 -1.26 -5.00 113.70 106.50 1i6g s SER 54 Ca 0.36 0.75 0.13 0.00 0.48 0.00 0.00 55.95 57.67 1i6g s SER 54 Cb 0.19 0.89 0.70 0.00 0.10 0.00 0.00 66.02 67.90 1i6g s SER 54 CO 0.25 -0.23 1.40 0.00 0.98 0.00 0.00 173.24 175.65 1i6g n ALA 55 N 5.15 1.08 -2.33 5.32 0.00 -1.26 -2.87 120.51 125.60 1i6g n ALA 55 Ca -0.10 0.11 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1i6g n ALA 55 Cb 0.50 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.78 1i6g n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1i6g n THR 56 N -1.94 5.18 -3.40 0.00 -1.04 -1.26 -4.97 114.28 106.85 1i6g n THR 56 Ca -0.01 -5.25 -0.38 0.00 -2.04 0.00 0.00 64.05 56.38 1i6g n THR 56 Cb 0.04 -1.49 -0.08 0.00 -1.82 0.00 0.00 70.33 66.98 1i6g n THR 56 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1i6g s ASN 57 N -1.08 6.39 -0.49 8.00 4.22 -1.14 -5.03 114.94 125.81 1i6g s ASN 57 Ca 0.45 0.46 0.03 0.00 -2.14 0.00 0.00 52.86 51.66 1i6g s ASN 57 Cb 0.27 -2.22 0.13 0.00 1.28 0.00 0.00 41.25 40.71 1i6g s ASN 57 CO -0.22 -0.09 0.25 -0.63 -2.04 0.00 0.00 177.10 174.37 1i6g s ILE 58 N 1.42 2.11 -0.68 0.54 1.09 -1.26 -5.00 121.20 119.42 1i6g s ILE 58 Ca 0.18 -3.01 -0.04 0.00 -1.10 0.00 0.00 60.65 56.68 1i6g s ILE 58 Cb -0.15 -2.47 0.18 0.00 -1.06 0.00 0.00 42.46 38.96 1i6g s ILE 58 CO 0.08 -0.83 0.52 0.00 -0.10 0.00 0.00 174.94 174.61