#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 3.77 -0.00 -5.58 1.01 -1.26 0.22 116.67 114.82 1i6g s ASP 2 Ca 0.00 -0.29 -0.01 0.00 0.71 0.00 0.00 52.55 52.96 1i6g s ASP 2 Cb 0.00 -0.90 0.00 0.00 1.01 0.00 0.00 42.92 43.04 1i6g s ASP 2 CO 0.00 0.30 0.03 0.61 0.21 0.00 0.00 175.17 176.32 1i6g n GLY 3 N 2.60 0.69 3.46 0.21 0.00 -1.00 -4.98 105.19 106.17 1i6g n GLY 3 Ca -0.17 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.33 3.08 0.32 1.61 1.51 -1.26 -1.58 117.35 117.70 1i6g s TYR 4 Ca 0.01 -0.41 -0.28 0.00 -1.01 0.00 0.00 57.07 55.37 1i6g s TYR 4 Cb -0.00 -2.17 -0.10 0.00 -0.11 0.00 0.00 41.96 39.59 1i6g s TYR 4 CO -0.00 -0.28 1.19 -1.25 -1.11 0.00 0.00 175.55 174.10 1i6g s PRO 5 N 1.29 4.44 0.53 -1.71 0.04 -1.25 -1.38 135.00 136.95 1i6g s PRO 5 Ca 0.04 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.10 1i6g s PRO 5 Cb -0.15 -3.06 0.02 0.00 0.04 0.00 0.00 34.50 31.36 1i6g s PRO 5 CO 0.02 -0.02 0.34 0.14 0.04 0.00 0.00 177.00 177.53 1i6g s VAL 6 N -1.20 1.69 0.25 -0.36 -7.23 -0.26 -1.50 120.40 111.79 1i6g s VAL 6 Ca 0.48 -1.55 -0.03 0.00 -1.81 0.00 0.00 61.98 59.07 1i6g s VAL 6 Cb -0.35 -2.24 0.05 0.00 0.56 0.00 0.00 36.38 34.40 1i6g s VAL 6 CO 0.45 0.00 0.33 -0.90 -0.31 0.00 0.00 175.10 174.67 1i6g n ASP 7 N -1.67 0.18 0.08 4.85 5.75 -0.05 -4.82 116.55 120.88 1i6g n ASP 7 Ca -0.03 -1.21 0.07 0.00 -0.01 0.00 0.00 54.79 53.60 1i6g n ASP 7 Cb 0.64 -0.24 0.33 0.00 -1.03 0.00 0.00 41.12 40.82 1i6g n ASP 7 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1i6g n SER 8 N -3.13 0.31 -0.01 -1.12 3.41 -1.26 -1.62 113.62 110.20 1i6g n SER 8 Ca 0.05 0.63 -0.11 0.00 -0.26 0.00 0.00 58.87 59.17 1i6g n SER 8 Cb 0.16 -0.67 -0.14 0.00 -0.26 0.00 0.00 64.21 63.30 1i6g n SER 8 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1i6g h LYS 9 N 0.00 0.06 0.00 4.33 1.63 -2.03 -3.48 116.57 117.09 1i6g h LYS 9 Ca 0.00 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1i6g h LYS 9 Cb 0.06 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1i6g h LYS 9 CO 0.00 0.67 0.00 0.41 -3.45 0.00 0.00 179.45 177.08 1i6g n GLY 10 N 1.64 1.30 3.78 5.01 0.00 -0.64 -5.10 105.19 111.17 1i6g n GLY 10 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 0.68 -0.01 -3.33 0.00 5.02 -1.26 -0.87 118.16 118.39 1i6g n LYS 12 Ca 0.01 0.06 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 1i6g n LYS 12 Cb 0.50 -2.17 -0.08 0.00 -0.02 0.00 0.00 35.03 33.25 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 -3.68 4.07 0.11 -0.35 2.96 -0.56 -4.64 118.68 116.60 1i6g s LEU 13 Ca 0.67 0.44 -0.31 0.00 -0.22 0.00 0.00 54.13 54.71 1i6g s LEU 13 Cb -0.27 -2.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.79 1i6g s LEU 13 CO 0.57 -0.19 1.60 -0.44 -1.32 0.00 0.00 176.35 176.57 1i6g s SER 14 N 1.44 6.61 -0.07 3.68 0.01 -1.26 -0.05 113.70 124.07 1i6g s SER 14 Ca 0.18 2.53 0.02 0.00 1.31 0.00 0.00 55.95 59.99 1i6g s SER 14 Cb -0.15 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 1i6g s SER 14 CO 0.09 -0.84 -0.10 0.00 0.41 0.00 0.00 173.24 172.80 1i6g n VAL 16 N 2.40 0.00 -4.23 0.00 3.14 -1.26 -4.49 118.33 113.89 1i6g n VAL 16 Ca -0.18 -0.11 -0.13 0.00 -2.96 0.00 0.00 64.34 60.96 1i6g n VAL 16 Cb 0.53 0.47 -0.10 0.00 -1.06 0.00 0.00 33.84 33.67 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 -2.17 1.30 -0.17 1.55 0.00 -1.26 -5.07 121.76 115.94 1i6g s ALA 17 Ca -0.01 -1.57 -0.19 0.00 0.00 0.00 0.00 51.96 50.19 1i6g s ALA 17 Cb 0.02 0.52 -0.16 0.00 0.00 0.00 0.00 23.12 23.51 1i6g s ALA 17 CO 0.15 -0.32 0.28 -0.91 0.00 0.00 0.00 175.76 174.97 1i6g h ASN 18 N 2.72 0.00 -1.01 0.00 2.35 -1.93 -3.33 115.58 114.38 1i6g h ASN 18 Ca -0.36 -0.51 0.28 0.00 -0.55 0.00 0.00 56.30 55.16 1i6g h ASN 18 Cb 1.20 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.44 1i6g h ASN 18 CO 0.63 1.13 0.59 -0.55 -1.65 0.00 0.00 177.43 177.58 1i6g h ASN 19 N -1.00 0.59 -0.07 5.81 -1.07 -1.98 0.14 115.58 118.00 1i6g h ASN 19 Ca -0.16 0.16 0.02 0.00 0.07 0.00 0.00 56.30 56.39 1i6g h ASN 19 Cb 0.95 0.08 -0.03 0.00 -2.07 0.00 0.00 38.32 37.25 1i6g h ASN 19 CO -0.09 -0.01 -0.07 0.22 0.07 0.00 0.00 177.43 177.55 1i6g h TYR 20 N 0.45 -0.18 -0.60 4.14 3.20 -1.94 -2.24 116.97 119.81 1i6g h TYR 20 Ca 0.69 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.50 1i6g h TYR 20 Cb 1.47 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.80 1i6g h TYR 20 CO -0.01 -0.11 0.12 0.00 -1.64 0.00 0.00 178.16 176.52 1i6g h ASP 22 N 0.88 0.55 0.38 0.00 1.82 -0.49 0.67 116.42 120.24 1i6g h ASP 22 Ca 0.18 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.86 1i6g h ASP 22 Cb 0.40 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1i6g h ASP 22 CO 0.01 0.21 -0.18 -1.13 -1.61 0.00 0.00 179.24 176.54 1i6g h ASN 23 N 0.55 -0.44 -0.39 2.28 -0.73 -1.00 -1.21 115.58 114.64 1i6g h ASN 23 Ca 0.51 0.02 0.07 0.00 1.87 0.00 0.00 56.30 58.76 1i6g h ASN 23 Cb 1.06 0.11 -0.09 0.00 0.27 0.00 0.00 38.32 39.67 1i6g h ASN 23 CO -0.24 -0.02 -0.40 -0.61 -0.37 0.00 0.00 177.43 175.78 1i6g h GLN 24 N -1.09 -0.30 0.15 6.67 5.75 -1.17 0.67 115.11 125.79 1i6g h GLN 24 Ca -0.05 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1i6g h GLN 24 Cb 0.39 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.97 1i6g h GLN 24 CO 0.09 -0.20 -0.42 0.00 -2.65 0.00 0.00 178.83 175.65 1i6g h LYS 26 N -0.67 0.13 -0.96 0.00 3.64 -0.25 0.70 116.57 119.16 1i6g h LYS 26 Ca 0.02 -0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.55 1i6g h LYS 26 Cb 0.68 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.39 1i6g h LYS 26 CO -0.23 0.09 0.60 0.52 -2.27 0.00 0.00 179.45 178.17 1i6g h MET 27 N 0.13 0.74 -0.84 1.90 2.86 0.13 0.64 114.93 120.49 1i6g h MET 27 Ca 0.46 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 58.03 1i6g h MET 27 Cb 0.84 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1i6g h MET 27 CO -0.67 0.49 0.03 1.63 1.06 0.00 0.00 176.91 179.45 1i6g n LYS 28 N -4.63 2.55 -3.39 1.72 5.02 0.24 -4.87 118.16 114.80 1i6g n LYS 28 Ca 0.20 -1.34 -0.17 0.00 -2.02 0.00 0.00 58.31 54.98 1i6g n LYS 28 Cb 0.50 -1.79 0.09 0.00 -0.02 0.00 0.00 35.03 33.80 1i6g n LYS 28 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1i6g n LYS 29 N 0.22 -6.46 -3.43 1.97 4.81 0.22 -4.18 118.16 111.31 1i6g n LYS 29 Ca 0.13 0.82 -0.19 0.00 -0.87 0.00 0.00 58.31 58.20 1i6g n LYS 29 Cb 0.70 -5.76 -0.01 0.00 0.02 0.00 0.00 35.03 29.97 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 -3.35 4.20 -0.05 3.14 0.00 -0.73 -4.46 121.76 120.51 1i6g s ALA 30 Ca 0.02 -1.68 0.04 0.00 0.00 0.00 0.00 51.96 50.33 1i6g s ALA 30 Cb -0.01 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 1i6g s ALA 30 CO 0.71 -0.15 0.01 0.43 0.00 0.00 0.00 175.76 176.75 1i6g n SER 31 N -1.62 3.86 -3.96 0.00 7.64 0.49 -4.42 113.62 115.60 1i6g n SER 31 Ca 0.03 -0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.60 1i6g n SER 31 Cb 0.60 0.55 -0.12 0.00 -1.01 0.00 0.00 64.21 64.22 1i6g n SER 31 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1i6g s GLY 32 N -3.65 2.64 -0.41 0.23 0.00 -0.88 -4.80 107.32 100.46 1i6g s GLY 32 Ca -0.03 -3.48 -0.10 0.00 0.00 0.00 0.00 44.72 41.11 1i6g s GLY 32 CO 0.18 1.05 0.26 -0.32 0.00 0.00 0.00 173.10 174.27 1i6g s GLY 33 N -0.52 1.97 0.24 0.20 0.00 -1.26 0.42 107.32 108.37 1i6g s GLY 33 Ca 0.20 -2.02 -0.04 0.00 0.00 0.00 0.00 44.72 42.86 1i6g s GLY 33 CO -0.06 0.94 0.29 -2.38 0.00 0.00 0.00 173.10 171.89 1i6g s HIS 34 N 1.49 0.97 -0.24 1.90 -3.43 -0.62 -2.06 115.29 113.29 1i6g s HIS 34 Ca 0.03 -1.20 -0.11 0.00 -0.80 0.00 0.00 55.06 52.98 1i6g s HIS 34 Cb -0.22 -0.29 -0.05 0.00 -1.43 0.00 0.00 32.58 30.59 1i6g s HIS 34 CO 0.04 -0.83 0.18 0.00 -2.00 0.00 0.00 174.74 172.13 1i6g s TYR 36 N 1.15 -0.21 -1.34 0.00 6.14 -0.73 -4.86 117.35 117.50 1i6g s TYR 36 Ca 0.08 0.51 -0.04 0.00 0.64 0.00 0.00 57.07 58.26 1i6g s TYR 36 Cb -0.14 0.07 0.00 0.00 0.42 0.00 0.00 41.96 42.32 1i6g s TYR 36 CO 0.05 -0.10 0.58 0.00 0.64 0.00 0.00 175.55 176.72 1i6g n ALA 37 N 2.96 -0.87 -1.33 3.97 0.00 -1.26 -1.43 120.51 122.56 1i6g n ALA 37 Ca -0.13 0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 1i6g n ALA 37 Cb 0.59 -3.59 -0.05 0.00 0.00 0.00 0.00 19.45 16.39 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 -3.67 -1.61 -4.21 0.00 2.81 -1.26 -4.93 117.12 104.25 1i6g n MET 38 Ca -0.09 0.89 -0.16 0.00 -1.81 0.00 0.00 57.70 56.52 1i6g n MET 38 Cb 0.60 -5.22 -0.14 0.00 -0.71 0.00 0.00 33.22 27.75 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 -2.32 0.88 0.58 7.83 0.01 -0.51 -2.30 113.70 117.86 1i6g s SER 39 Ca 0.00 -0.24 -0.18 0.00 1.31 0.00 0.00 55.95 56.84 1i6g s SER 39 Cb 0.00 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 1i6g s SER 39 CO 0.00 0.02 1.13 0.00 0.41 0.00 0.00 173.24 174.80 1i6g s TYR 41 N -1.92 -0.16 0.00 0.00 5.04 -0.71 -3.97 117.35 115.64 1i6g s TYR 41 Ca 0.72 0.29 0.02 0.00 -2.44 0.00 0.00 57.07 55.66 1i6g s TYR 41 Cb -0.23 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.13 1i6g s TYR 41 CO 0.32 -0.29 -0.08 0.00 -1.34 0.00 0.00 175.55 174.15 1i6g s GLU 43 N -0.39 2.78 0.00 0.00 2.12 0.17 -2.37 118.70 121.01 1i6g s GLU 43 Ca 0.01 -1.90 0.00 0.00 0.36 0.00 0.00 54.97 53.44 1i6g s GLU 43 Cb -0.04 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.26 1i6g s GLU 43 CO -0.00 -1.25 0.00 0.41 -0.54 0.00 0.00 175.26 173.88 1i6g n GLY 44 N 4.77 1.54 3.57 -1.50 0.00 -0.50 0.19 105.19 113.26 1i6g n GLY 44 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 1.42 0.42 0.99 1.43 0.59 -4.11 118.68 119.43 1i6g s LEU 45 Ca 0.00 1.58 -0.23 0.00 -1.03 0.00 0.00 54.13 54.45 1i6g s LEU 45 Cb 0.00 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 1i6g s LEU 45 CO 0.00 -3.71 1.08 -2.16 0.23 0.00 0.00 176.35 171.79 1i6g s PRO 46 N -4.61 4.03 0.51 1.29 0.04 -1.26 -0.63 135.00 134.37 1i6g s PRO 46 Ca 0.67 1.57 0.30 0.00 0.04 0.00 0.00 61.00 63.58 1i6g s PRO 46 Cb -0.23 -2.47 1.65 0.00 0.04 0.00 0.00 34.50 33.49 1i6g s PRO 46 CO 0.62 -0.27 1.92 1.49 0.04 0.00 0.00 177.00 180.79 1i6g h GLU 47 N 2.31 0.00 -0.34 4.56 4.81 -1.94 0.67 114.58 124.66 1i6g h GLU 47 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1i6g h GLU 47 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1i6g h GLU 47 CO 0.61 0.00 0.00 0.27 -0.73 0.00 0.00 179.01 179.16 1i6g n ASN 48 N -2.65 3.90 -4.77 1.04 2.04 -1.26 -5.01 115.26 108.55 1i6g n ASN 48 Ca -0.02 -2.74 -0.32 0.00 -0.44 0.00 0.00 54.58 51.06 1i6g n ASN 48 Cb 0.16 -0.49 0.07 0.00 -2.53 0.00 0.00 39.78 36.99 1i6g n ASN 48 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1i6g s ALA 49 N -2.33 2.34 -0.69 -2.53 0.00 0.23 -4.97 121.76 113.80 1i6g s ALA 49 Ca 0.40 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.60 1i6g s ALA 49 Cb 0.30 -3.30 0.17 0.00 0.00 0.00 0.00 23.12 20.29 1i6g s ALA 49 CO 0.12 -1.56 0.67 0.21 0.00 0.00 0.00 175.76 175.20 1i6g s LYS 50 N -4.53 3.29 0.24 0.00 2.20 -1.26 -5.01 119.74 114.67 1i6g s LYS 50 Ca 0.64 -2.00 0.01 0.00 -0.36 0.00 0.00 55.97 54.26 1i6g s LYS 50 Cb -0.19 -4.38 -0.05 0.00 -1.51 0.00 0.00 37.83 31.70 1i6g s LYS 50 CO 0.50 -1.35 0.08 0.14 -0.36 0.00 0.00 175.35 174.35 1i6g s VAL 51 N 1.13 0.59 0.30 4.02 -7.23 -1.25 -1.10 120.40 116.85 1i6g s VAL 51 Ca 0.12 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.05 1i6g s VAL 51 Cb -0.20 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.11 1i6g s VAL 51 CO -0.02 -0.09 0.87 -0.55 -0.31 0.00 0.00 175.10 175.00 1i6g s SER 52 N -3.29 7.23 0.00 4.85 0.15 -0.48 -4.89 113.70 117.27 1i6g s SER 52 Ca 0.35 1.69 0.21 0.00 0.70 0.00 0.00 55.95 58.91 1i6g s SER 52 Cb 0.07 -2.53 0.53 0.00 -1.71 0.00 0.00 66.02 62.39 1i6g s SER 52 CO 0.12 -0.05 1.45 -0.90 1.20 0.00 0.00 173.24 175.06 1i6g n ASP 53 N 0.54 3.16 -4.04 5.45 5.75 -1.26 -4.24 116.55 121.91 1i6g n ASP 53 Ca 0.01 -1.96 -0.16 0.00 -0.01 0.00 0.00 54.79 52.67 1i6g n ASP 53 Cb 0.51 -0.31 -0.13 0.00 -1.03 0.00 0.00 41.12 40.15 1i6g n ASP 53 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1i6g s SER 54 N -1.27 0.95 0.55 -1.12 1.04 -1.26 -5.01 113.70 107.59 1i6g s SER 54 Ca 0.39 -0.32 0.27 0.00 0.48 0.00 0.00 55.95 56.77 1i6g s SER 54 Cb 0.22 -0.05 1.45 0.00 0.10 0.00 0.00 66.02 67.73 1i6g s SER 54 CO 0.29 -0.02 1.97 0.00 0.98 0.00 0.00 173.24 176.46 1i6g h ALA 55 N 5.29 2.44 -2.61 5.32 0.00 -2.05 -3.40 119.26 124.24 1i6g h ALA 55 Ca -0.33 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.00 1i6g h ALA 55 Cb 1.19 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1i6g h ALA 55 CO 0.46 -0.70 -0.15 0.95 0.00 0.00 0.00 179.25 179.81 1i6g s THR 56 N -4.91 4.95 -0.19 0.00 -4.23 -1.26 -5.05 115.64 104.95 1i6g s THR 56 Ca -0.05 0.65 -0.26 0.00 -1.18 0.00 0.00 61.69 60.86 1i6g s THR 56 Cb 0.19 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.33 1i6g s THR 56 CO 0.69 0.22 0.87 0.54 -0.54 0.00 0.00 174.62 176.41 1i6g s ASN 57 N -1.81 6.97 -0.89 3.99 4.22 -1.26 -4.92 114.94 121.24 1i6g s ASN 57 Ca 0.37 1.19 0.00 0.00 -2.14 0.00 0.00 52.86 52.29 1i6g s ASN 57 Cb -0.14 -2.47 0.31 0.00 1.28 0.00 0.00 41.25 40.23 1i6g s ASN 57 CO 0.19 -0.46 1.41 -0.38 -2.04 0.00 0.00 177.10 175.82 1i6g n ILE 58 N 4.92 4.79 -1.42 0.54 2.08 -1.26 -4.73 119.36 124.28 1i6g n ILE 58 Ca 0.06 -5.79 -0.05 0.00 0.56 0.00 0.00 62.75 57.52 1i6g n ILE 58 Cb 0.48 -1.72 0.20 0.00 -0.75 0.00 0.00 39.64 37.86 1i6g n ILE 58 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11