#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 5.73 0.10 -5.58 1.01 -1.26 0.50 116.67 117.18 1i6g s ASP 2 Ca 0.00 0.27 -0.10 0.00 0.71 0.00 0.00 52.55 53.44 1i6g s ASP 2 Cb 0.00 -1.72 0.03 0.00 1.01 0.00 0.00 42.92 42.24 1i6g s ASP 2 CO 0.00 0.38 0.47 0.61 0.21 0.00 0.00 175.17 176.84 1i6g n GLY 3 N 1.98 1.06 3.53 0.21 0.00 -0.99 -4.98 105.19 106.00 1i6g n GLY 3 Ca -0.19 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.42 3.17 0.25 1.61 2.02 -1.26 -2.48 117.35 116.24 1i6g s TYR 4 Ca 0.10 -0.14 -0.30 0.00 -0.37 0.00 0.00 57.07 56.37 1i6g s TYR 4 Cb -0.02 -2.25 -0.09 0.00 -0.40 0.00 0.00 41.96 39.20 1i6g s TYR 4 CO 0.03 -0.18 1.18 -1.25 -1.57 0.00 0.00 175.55 173.76 1i6g s PRO 5 N 1.39 4.52 0.48 -1.71 0.04 -1.26 -1.06 135.00 137.41 1i6g s PRO 5 Ca 0.06 1.92 0.07 0.00 0.04 0.00 0.00 61.00 63.09 1i6g s PRO 5 Cb -0.15 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1i6g s PRO 5 CO 0.05 0.01 0.39 0.14 0.04 0.00 0.00 177.00 177.63 1i6g s VAL 6 N -0.72 2.12 0.57 -0.36 -7.23 -1.03 -2.41 120.40 111.35 1i6g s VAL 6 Ca 0.49 -1.44 0.06 0.00 -1.81 0.00 0.00 61.98 59.28 1i6g s VAL 6 Cb -0.34 -2.56 0.06 0.00 0.56 0.00 0.00 36.38 34.10 1i6g s VAL 6 CO 0.42 0.00 0.50 1.51 -0.31 0.00 0.00 175.10 177.22 1i6g s ASP 7 N -4.20 4.69 0.64 4.85 -4.77 -0.85 -4.84 116.67 112.18 1i6g s ASP 7 Ca 0.42 -1.22 0.25 0.00 -3.30 0.00 0.00 52.55 48.70 1i6g s ASP 7 Cb -0.02 0.53 1.28 0.00 -1.09 0.00 0.00 42.92 43.62 1i6g s ASP 7 CO 0.25 -1.22 1.72 0.77 0.70 0.00 0.00 175.17 177.39 1i6g h SER 8 N 0.57 0.00 1.32 2.11 4.64 -2.01 0.78 113.55 120.96 1i6g h SER 8 Ca -0.34 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.84 1i6g h SER 8 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1i6g h SER 8 CO 0.53 0.00 -0.70 0.50 -0.87 0.00 0.00 176.83 176.30 1i6g h LYS 9 N 0.00 0.00 0.00 4.77 3.64 -2.03 -3.47 116.57 119.48 1i6g h LYS 9 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1i6g h LYS 9 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1i6g h LYS 9 CO -0.00 0.56 0.00 0.41 -2.27 0.00 0.00 179.45 178.15 1i6g n GLY 10 N 1.27 0.73 3.89 5.01 0.00 0.27 -5.08 105.19 111.29 1i6g n GLY 10 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 1.06 1.54 -2.71 0.00 5.02 -1.26 -2.02 118.16 119.80 1i6g n LYS 12 Ca -0.11 0.55 -0.41 0.00 -2.02 0.00 0.00 58.31 56.32 1i6g n LYS 12 Cb 0.53 -2.24 -0.04 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 -1.47 4.49 0.31 -0.35 2.96 -1.01 -4.84 118.68 118.77 1i6g s LEU 13 Ca 0.65 1.82 -0.29 0.00 -0.22 0.00 0.00 54.13 56.09 1i6g s LEU 13 Cb -0.50 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.50 1i6g s LEU 13 CO 0.55 -0.09 1.20 -0.44 -1.32 0.00 0.00 176.35 176.25 1i6g s SER 14 N 0.03 6.99 0.02 3.68 0.01 -1.26 -0.46 113.70 122.71 1i6g s SER 14 Ca 0.47 2.47 0.08 0.00 1.31 0.00 0.00 55.95 60.28 1i6g s SER 14 Cb -0.24 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.33 1i6g s SER 14 CO 0.30 -0.36 -0.23 0.00 0.41 0.00 0.00 173.24 173.37 1i6g n VAL 16 N 2.06 0.00 -4.27 0.00 3.14 -1.26 -4.64 118.33 113.36 1i6g n VAL 16 Ca -0.16 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.00 1i6g n VAL 16 Cb 0.53 -0.54 -0.12 0.00 -1.06 0.00 0.00 33.84 32.64 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 -1.77 1.48 0.15 1.55 0.00 -1.26 -5.02 121.76 116.89 1i6g s ALA 17 Ca 0.00 -1.09 0.22 0.00 0.00 0.00 0.00 51.96 51.09 1i6g s ALA 17 Cb 0.00 -0.19 0.83 0.00 0.00 0.00 0.00 23.12 23.76 1i6g s ALA 17 CO 0.00 0.27 1.79 -0.91 0.00 0.00 0.00 175.76 176.91 1i6g h ASN 18 N 4.30 0.00 -0.05 0.00 2.35 -1.93 -3.15 115.58 117.11 1i6g h ASN 18 Ca -0.43 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.12 1i6g h ASN 18 Cb 1.18 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.57 1i6g h ASN 18 CO 0.40 0.28 -0.75 -0.55 -1.65 0.00 0.00 177.43 175.16 1i6g h ASN 19 N 0.00 0.75 -0.27 5.81 7.08 -1.96 -1.86 115.58 125.13 1i6g h ASN 19 Ca -0.00 -0.71 0.06 0.00 -3.08 0.00 0.00 56.30 52.57 1i6g h ASN 19 Cb 0.80 -0.23 -0.06 0.00 -2.08 0.00 0.00 38.32 36.76 1i6g h ASN 19 CO 0.04 1.35 -0.10 0.22 -2.08 0.00 0.00 177.43 176.86 1i6g h TYR 20 N 0.21 -0.23 -0.34 4.14 3.20 -1.93 -1.40 116.97 120.64 1i6g h TYR 20 Ca -0.08 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 1i6g h TYR 20 Cb 1.42 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.82 1i6g h TYR 20 CO 0.12 -0.16 -0.02 0.00 -1.64 0.00 0.00 178.16 176.46 1i6g h ASP 22 N 0.40 0.23 0.30 0.00 1.82 -0.63 0.67 116.42 119.21 1i6g h ASP 22 Ca 0.09 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 1i6g h ASP 22 Cb 0.48 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1i6g h ASP 22 CO 0.02 0.04 -0.14 -1.13 -1.61 0.00 0.00 179.24 176.42 1i6g h ASN 23 N 0.20 -0.34 0.06 2.28 -1.24 -0.81 -2.44 115.58 113.29 1i6g h ASN 23 Ca 0.57 -0.12 0.02 0.00 0.71 0.00 0.00 56.30 57.48 1i6g h ASN 23 Cb 1.82 0.09 -0.05 0.00 0.73 0.00 0.00 38.32 40.91 1i6g h ASN 23 CO -0.16 0.13 -0.46 -0.61 -1.29 0.00 0.00 177.43 175.04 1i6g h GLN 24 N -1.03 -0.63 -0.43 6.67 5.75 -0.98 -2.26 115.11 122.20 1i6g h GLN 24 Ca -0.04 0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1i6g h GLN 24 Cb 0.44 0.14 -0.09 0.00 1.07 0.00 0.00 27.48 29.04 1i6g h GLN 24 CO 0.07 -0.42 -0.44 0.00 -2.65 0.00 0.00 178.83 175.39 1i6g h LYS 26 N -0.32 0.07 -0.08 0.00 3.64 -0.91 1.48 116.57 120.46 1i6g h LYS 26 Ca 0.14 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1i6g h LYS 26 Cb 0.58 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1i6g h LYS 26 CO -0.59 0.04 -0.15 0.52 -2.27 0.00 0.00 179.45 177.00 1i6g h MET 27 N 0.07 0.12 -0.86 1.90 2.86 -0.24 -1.66 114.93 117.13 1i6g h MET 27 Ca 0.61 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 58.21 1i6g h MET 27 Cb 1.30 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1i6g h MET 27 CO -0.81 0.28 0.01 1.63 1.06 0.00 0.00 176.91 179.08 1i6g n LYS 28 N -4.30 2.32 -2.20 1.72 5.02 0.50 -4.83 118.16 116.40 1i6g n LYS 28 Ca -0.02 -1.10 -0.12 0.00 -2.02 0.00 0.00 58.31 55.06 1i6g n LYS 28 Cb 0.26 -1.75 -0.01 0.00 -0.02 0.00 0.00 35.03 33.51 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 0.20 -0.98 -4.03 1.97 4.81 -0.62 -4.50 118.16 115.01 1i6g n LYS 29 Ca 0.10 0.61 -0.22 0.00 -0.87 0.00 0.00 58.31 57.93 1i6g n LYS 29 Cb 0.60 -4.79 -0.03 0.00 0.02 0.00 0.00 35.03 30.83 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 -2.61 3.79 -0.03 3.14 0.00 -0.81 -4.32 121.76 120.92 1i6g s ALA 30 Ca 0.00 -1.28 0.06 0.00 0.00 0.00 0.00 51.96 50.74 1i6g s ALA 30 Cb 0.00 -1.56 -0.08 0.00 0.00 0.00 0.00 23.12 21.48 1i6g s ALA 30 CO 0.00 0.29 0.08 0.43 0.00 0.00 0.00 175.76 176.55 1i6g n SER 31 N -1.19 3.60 -3.99 0.00 7.64 -0.55 -3.91 113.62 115.22 1i6g n SER 31 Ca -0.08 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.46 1i6g n SER 31 Cb 0.57 0.96 -0.07 0.00 -1.01 0.00 0.00 64.21 64.66 1i6g n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i6g n GLY 32 N 2.40 4.25 3.65 0.23 0.00 -0.47 -4.89 105.19 110.35 1i6g n GLY 32 Ca -0.05 -2.62 -0.38 0.00 0.00 0.00 0.00 46.02 42.97 1i6g n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i6g s GLY 33 N -0.77 2.01 0.23 -0.02 0.00 -1.26 0.20 107.32 107.71 1i6g s GLY 33 Ca 0.29 -0.73 -0.09 0.00 0.00 0.00 0.00 44.72 44.19 1i6g s GLY 33 CO -0.11 0.69 0.46 -2.39 0.00 0.00 0.00 173.10 171.75 1i6g n HIS 34 N 4.59 -1.80 -3.71 1.90 1.44 0.03 -2.32 115.22 115.36 1i6g n HIS 34 Ca -0.11 -1.09 -0.36 0.00 -2.01 0.00 0.00 57.72 54.15 1i6g n HIS 34 Cb 0.51 0.54 -0.10 0.00 0.12 0.00 0.00 29.99 31.07 1i6g n HIS 34 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1i6g s TYR 36 N 1.05 1.92 -1.50 0.00 6.14 0.32 -4.77 117.35 120.51 1i6g s TYR 36 Ca 0.07 -0.79 -0.07 0.00 0.64 0.00 0.00 57.07 56.92 1i6g s TYR 36 Cb -0.14 -1.35 0.05 0.00 0.42 0.00 0.00 41.96 40.95 1i6g s TYR 36 CO 0.04 -0.37 0.59 0.00 0.64 0.00 0.00 175.55 176.46 1i6g n ALA 37 N 3.81 -1.72 -0.90 3.97 0.00 -1.26 0.13 120.51 124.54 1i6g n ALA 37 Ca -0.21 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1i6g n ALA 37 Cb 0.52 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 -4.42 -1.00 -4.97 0.00 2.81 -1.26 -4.95 117.12 103.32 1i6g n MET 38 Ca -0.16 0.25 -0.27 0.00 -1.81 0.00 0.00 57.70 55.71 1i6g n MET 38 Cb 0.61 -4.27 -0.16 0.00 -0.71 0.00 0.00 33.22 28.70 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 -2.09 2.34 0.38 7.83 0.01 0.34 -2.41 113.70 120.10 1i6g s SER 39 Ca 0.00 -0.36 -0.28 0.00 1.31 0.00 0.00 55.95 56.62 1i6g s SER 39 Cb 0.00 -0.27 -0.10 0.00 0.21 0.00 0.00 66.02 65.86 1i6g s SER 39 CO 0.00 0.24 1.39 0.00 0.41 0.00 0.00 173.24 175.29 1i6g s TYR 41 N -1.16 -0.07 0.02 0.00 5.04 0.36 -4.05 117.35 117.49 1i6g s TYR 41 Ca 0.53 0.24 0.08 0.00 -2.44 0.00 0.00 57.07 55.48 1i6g s TYR 41 Cb -0.43 -0.05 -0.02 0.00 0.35 0.00 0.00 41.96 41.81 1i6g s TYR 41 CO 0.57 -0.08 -0.23 0.00 -1.34 0.00 0.00 175.55 174.47 1i6g s GLU 43 N -0.92 2.61 0.00 0.00 2.12 0.13 -2.36 118.70 120.28 1i6g s GLU 43 Ca 0.09 -1.15 0.00 0.00 0.36 0.00 0.00 54.97 54.27 1i6g s GLU 43 Cb -0.09 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.12 1i6g s GLU 43 CO 0.01 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.58 1i6g n GLY 44 N 4.67 1.09 3.70 -1.50 0.00 -1.16 -1.37 105.19 110.62 1i6g n GLY 44 Ca -0.14 0.00 -0.30 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 2.28 0.40 0.99 1.43 0.18 -4.37 118.68 119.60 1i6g s LEU 45 Ca 0.00 1.60 -0.25 0.00 -1.03 0.00 0.00 54.13 54.45 1i6g s LEU 45 Cb 0.00 -4.00 -0.08 0.00 0.03 0.00 0.00 46.19 42.13 1i6g s LEU 45 CO 0.00 -2.76 1.16 -2.16 0.23 0.00 0.00 176.35 172.82 1i6g s PRO 46 N -4.86 4.05 0.63 1.29 0.04 -1.26 0.27 135.00 135.16 1i6g s PRO 46 Ca 0.64 1.81 0.23 0.00 0.04 0.00 0.00 61.00 63.72 1i6g s PRO 46 Cb -0.19 -2.66 1.12 0.00 0.04 0.00 0.00 34.50 32.82 1i6g s PRO 46 CO 0.58 -0.32 1.61 1.49 0.04 0.00 0.00 177.00 180.40 1i6g h GLU 47 N 2.60 0.00 -0.33 4.56 4.81 -1.93 0.69 114.58 124.97 1i6g h GLU 47 Ca -0.49 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.64 1i6g h GLU 47 Cb 1.23 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 1i6g h GLU 47 CO 0.62 0.00 -0.00 0.27 -0.73 0.00 0.00 179.01 179.17 1i6g n ASN 48 N -3.09 3.22 -4.59 1.04 0.23 -1.26 -5.01 115.26 105.80 1i6g n ASN 48 Ca 0.06 -3.39 -0.31 0.00 -0.53 0.00 0.00 54.58 50.40 1i6g n ASN 48 Cb 0.79 -0.60 0.17 0.00 -2.08 0.00 0.00 39.78 38.06 1i6g n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i6g n ALA 49 N -0.84 -1.45 -2.54 -2.53 0.00 0.24 -4.86 120.51 108.53 1i6g n ALA 49 Ca 0.29 -0.64 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 1i6g n ALA 49 Cb 0.99 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1i6g n ALA 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1i6g n LYS 50 N -3.74 3.41 -4.32 0.00 3.00 -1.26 -4.94 118.16 110.31 1i6g n LYS 50 Ca 0.10 -3.54 -0.17 0.00 -0.00 0.00 0.00 58.31 54.70 1i6g n LYS 50 Cb 0.53 -3.06 -0.10 0.00 0.00 0.00 0.00 35.03 32.39 1i6g n LYS 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1i6g s VAL 51 N 1.51 0.53 0.49 3.15 -7.23 -1.26 -2.46 120.40 115.13 1i6g s VAL 51 Ca 0.43 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.52 1i6g s VAL 51 Cb 0.05 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 1i6g s VAL 51 CO 0.00 0.00 0.84 -0.55 -0.31 0.00 0.00 175.10 175.08 1i6g s SER 52 N -3.33 6.34 -0.07 4.85 0.15 -0.22 -4.87 113.70 116.55 1i6g s SER 52 Ca 0.37 1.11 0.11 0.00 0.70 0.00 0.00 55.95 58.24 1i6g s SER 52 Cb 0.07 -2.32 0.27 0.00 -1.71 0.00 0.00 66.02 62.33 1i6g s SER 52 CO 0.14 -0.59 1.20 -0.90 1.20 0.00 0.00 173.24 174.29 1i6g n ASP 53 N -2.07 2.76 -4.06 5.45 5.75 -1.26 -4.19 116.55 118.92 1i6g n ASP 53 Ca 0.02 -2.47 -0.32 0.00 -0.01 0.00 0.00 54.79 52.01 1i6g n ASP 53 Cb 0.55 -0.28 -0.16 0.00 -1.03 0.00 0.00 41.12 40.20 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 -1.63 3.56 0.00 -1.12 1.04 -1.26 -4.97 113.70 109.32 1i6g s SER 54 Ca 0.23 -0.93 0.13 0.00 0.48 0.00 0.00 55.95 55.86 1i6g s SER 54 Cb 0.17 -1.40 0.80 0.00 0.10 0.00 0.00 66.02 65.70 1i6g s SER 54 CO 0.07 -0.11 1.50 0.00 0.98 0.00 0.00 173.24 175.68 1i6g n ALA 55 N 4.60 2.56 -3.17 5.32 0.00 -1.26 -4.03 120.51 124.52 1i6g n ALA 55 Ca -0.17 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 52.98 1i6g n ALA 55 Cb 0.47 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 1i6g n ALA 55 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1i6g n THR 56 N -0.72 -0.44 -3.95 0.00 5.66 -1.26 -5.11 114.28 108.46 1i6g n THR 56 Ca 0.10 -4.17 -0.09 0.00 -3.05 0.00 0.00 64.05 56.85 1i6g n THR 56 Cb 0.05 -1.10 -0.08 0.00 -1.55 0.00 0.00 70.33 67.65 1i6g n THR 56 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1i6g s ASN 57 N -1.73 0.21 -0.11 1.09 4.22 -1.26 -5.17 114.94 112.20 1i6g s ASN 57 Ca 0.37 -0.81 -0.07 0.00 -2.14 0.00 0.00 52.86 50.21 1i6g s ASN 57 Cb 0.25 0.32 0.04 0.00 1.28 0.00 0.00 41.25 43.14 1i6g s ASN 57 CO -0.10 -0.72 0.26 -0.51 -2.04 0.00 0.00 177.10 173.99 1i6g s ILE 58 N -3.91 -0.02 0.03 0.54 2.07 -1.26 -5.10 121.20 113.55 1i6g s ILE 58 Ca 0.09 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.42 1i6g s ILE 58 Cb 0.06 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 1i6g s ILE 58 CO -0.08 0.04 0.10 0.00 -1.91 0.00 0.00 174.94 173.09