#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 4.55 0.00 -5.58 1.01 -1.26 0.16 116.67 115.55 1i6g s ASP 2 Ca 0.00 -0.77 0.00 0.00 0.71 0.00 0.00 52.55 52.49 1i6g s ASP 2 Cb 0.00 -0.74 0.00 0.00 1.01 0.00 0.00 42.92 43.19 1i6g s ASP 2 CO 0.00 -0.19 0.00 0.61 0.21 0.00 0.00 175.17 175.80 1i6g n GLY 3 N -1.03 0.03 3.70 0.21 0.00 -1.02 -4.96 105.19 102.11 1i6g n GLY 3 Ca -0.04 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.00 3.34 0.26 1.61 1.51 -1.26 -2.15 117.35 118.66 1i6g s TYR 4 Ca 0.00 0.21 -0.29 0.00 -1.01 0.00 0.00 57.07 55.98 1i6g s TYR 4 Cb 0.00 -2.06 -0.09 0.00 -0.11 0.00 0.00 41.96 39.69 1i6g s TYR 4 CO 0.00 0.29 1.26 -1.25 -1.11 0.00 0.00 175.55 174.74 1i6g s PRO 5 N 0.09 4.44 0.43 -1.71 0.04 -1.26 0.88 135.00 137.91 1i6g s PRO 5 Ca 0.07 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.23 1i6g s PRO 5 Cb -0.12 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 1i6g s PRO 5 CO 0.00 -0.12 0.36 0.14 0.04 0.00 0.00 177.00 177.43 1i6g s VAL 6 N -0.62 2.54 0.00 -0.36 -7.23 -1.03 -0.64 120.40 113.07 1i6g s VAL 6 Ca 0.51 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1i6g s VAL 6 Cb -0.36 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.65 1i6g s VAL 6 CO 0.44 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.33 1i6g n ASP 7 N -1.54 0.42 0.24 4.85 5.68 -0.78 -4.83 116.55 120.58 1i6g n ASP 7 Ca 0.03 -0.86 0.16 0.00 -0.50 0.00 0.00 54.79 53.62 1i6g n ASP 7 Cb 0.62 0.00 0.85 0.00 -1.14 0.00 0.00 41.12 41.46 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 0.00 0.00 0.53 -1.12 4.64 -2.01 -1.56 113.55 114.03 1i6g h SER 8 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1i6g h SER 8 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1i6g h SER 8 CO 0.00 0.00 -1.65 1.17 -0.87 0.00 0.00 176.83 175.48 1i6g n LYS 9 N -2.60 0.63 0.00 4.77 4.81 -1.26 -4.97 118.16 119.54 1i6g n LYS 9 Ca -0.02 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1i6g n LYS 9 Cb 0.05 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1i6g n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i6g n GLY 10 N 1.51 1.13 3.88 3.14 0.00 -0.59 -5.10 105.19 109.15 1i6g n GLY 10 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 1.61 -0.15 -3.45 0.00 4.01 -1.26 -1.87 118.16 117.06 1i6g n LYS 12 Ca -0.16 -0.01 -0.36 0.00 -0.51 0.00 0.00 58.31 57.27 1i6g n LYS 12 Cb 0.54 -1.56 -0.06 0.00 -0.51 0.00 0.00 35.03 33.44 1i6g n LYS 12 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1i6g s LEU 13 N 2.06 4.39 0.45 -0.35 2.96 0.19 -4.68 118.68 123.70 1i6g s LEU 13 Ca 0.52 0.98 -0.11 0.00 -0.22 0.00 0.00 54.13 55.31 1i6g s LEU 13 Cb -0.22 -3.01 -0.06 0.00 0.50 0.00 0.00 46.19 43.40 1i6g s LEU 13 CO 0.72 0.18 0.82 -0.44 -1.32 0.00 0.00 176.35 176.31 1i6g s SER 14 N -1.55 6.48 0.00 3.68 0.01 -1.26 -1.08 113.70 119.98 1i6g s SER 14 Ca 0.33 1.19 -0.12 0.00 1.31 0.00 0.00 55.95 58.65 1i6g s SER 14 Cb -0.15 -2.35 0.01 0.00 0.21 0.00 0.00 66.02 63.74 1i6g s SER 14 CO 0.18 -0.48 0.25 0.00 0.41 0.00 0.00 173.24 173.59 1i6g n VAL 16 N 1.22 0.00 -3.82 0.00 3.14 -1.26 -4.64 118.33 112.96 1i6g n VAL 16 Ca -0.21 -0.47 -0.11 0.00 -2.96 0.00 0.00 64.34 60.58 1i6g n VAL 16 Cb 0.56 1.03 -0.08 0.00 -1.06 0.00 0.00 33.84 34.29 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 -0.47 -0.48 0.06 1.55 0.00 -1.26 -5.06 121.76 116.11 1i6g s ALA 17 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.65 1i6g s ALA 17 Cb 0.00 0.27 -0.19 0.00 0.00 0.00 0.00 23.12 23.20 1i6g s ALA 17 CO 0.00 -0.36 1.23 -0.91 0.00 0.00 0.00 175.76 175.72 1i6g h ASN 18 N 3.47 0.76 -0.67 0.00 2.35 -1.92 -3.26 115.58 116.32 1i6g h ASN 18 Ca -0.32 -0.67 0.12 0.00 -0.55 0.00 0.00 56.30 54.89 1i6g h ASN 18 Cb 1.19 -0.23 -0.09 0.00 0.05 0.00 0.00 38.32 39.25 1i6g h ASN 18 CO 0.47 1.31 0.22 -0.55 -1.65 0.00 0.00 177.43 177.22 1i6g h ASN 19 N 0.26 0.15 -0.90 5.81 -1.07 -1.96 -0.72 115.58 117.15 1i6g h ASN 19 Ca -0.06 0.11 0.25 0.00 0.07 0.00 0.00 56.30 56.66 1i6g h ASN 19 Cb 1.34 0.11 -0.15 0.00 -2.07 0.00 0.00 38.32 37.55 1i6g h ASN 19 CO 0.14 0.07 0.24 0.22 0.07 0.00 0.00 177.43 178.17 1i6g h TYR 20 N 0.36 0.36 0.00 4.14 3.20 -1.92 0.13 116.97 123.24 1i6g h TYR 20 Ca 0.36 0.05 -0.23 0.00 3.14 0.00 0.00 58.73 62.05 1i6g h TYR 20 Cb 0.52 -0.01 0.02 0.00 1.54 0.00 0.00 36.73 38.80 1i6g h TYR 20 CO -0.20 -0.24 -0.90 0.00 -1.64 0.00 0.00 178.16 175.18 1i6g h ASP 22 N 0.22 -1.01 0.04 0.00 1.82 0.32 1.37 116.42 119.17 1i6g h ASP 22 Ca -0.11 0.22 -0.22 0.00 -0.39 0.00 0.00 57.03 56.52 1i6g h ASP 22 Cb 1.57 0.53 0.01 0.00 0.68 0.00 0.00 39.33 42.12 1i6g h ASP 22 CO 0.18 -0.28 -0.84 -1.13 -1.61 0.00 0.00 179.24 175.55 1i6g h ASN 23 N -0.12 0.78 0.34 2.28 -1.24 -1.45 -2.54 115.58 113.64 1i6g h ASN 23 Ca 0.26 -0.55 -0.02 0.00 0.71 0.00 0.00 56.30 56.70 1i6g h ASN 23 Cb 0.54 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1i6g h ASN 23 CO -0.69 1.34 -0.17 -0.61 -1.29 0.00 0.00 177.43 176.01 1i6g h GLN 24 N 0.41 -0.45 0.02 6.67 5.75 -0.28 -2.05 115.11 125.18 1i6g h GLN 24 Ca -0.07 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1i6g h GLN 24 Cb 1.47 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 30.08 1i6g h GLN 24 CO 0.16 -0.19 -0.21 0.00 -2.65 0.00 0.00 178.83 175.95 1i6g h LYS 26 N -0.34 0.04 -0.84 0.00 1.63 -1.42 0.58 116.57 116.22 1i6g h LYS 26 Ca 0.05 -0.00 0.15 0.00 -0.85 0.00 0.00 60.65 60.00 1i6g h LYS 26 Cb 0.41 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.97 1i6g h LYS 26 CO -0.18 0.03 0.55 0.52 -3.45 0.00 0.00 179.45 176.92 1i6g h MET 27 N 0.05 0.57 -0.84 1.90 2.86 -0.61 0.30 114.93 119.16 1i6g h MET 27 Ca 0.34 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 1i6g h MET 27 Cb 0.54 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1i6g h MET 27 CO -0.64 0.38 0.02 1.63 1.06 0.00 0.00 176.91 179.36 1i6g n LYS 28 N -4.53 2.57 -2.93 1.72 5.02 0.19 -4.85 118.16 115.35 1i6g n LYS 28 Ca 0.16 -1.33 -0.11 0.00 -2.02 0.00 0.00 58.31 55.02 1i6g n LYS 28 Cb 0.50 -1.80 0.04 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.23 -3.65 -4.72 1.97 4.81 0.11 -4.31 118.16 112.59 1i6g n LYS 29 Ca 0.13 0.40 -0.32 0.00 -0.87 0.00 0.00 58.31 57.65 1i6g n LYS 29 Cb 0.68 -4.13 -0.09 0.00 0.02 0.00 0.00 35.03 31.51 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 3.86 0.00 3.14 0.00 -0.43 -3.84 121.76 121.33 1i6g s ALA 30 Ca 0.20 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1i6g s ALA 30 Cb -0.09 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1i6g s ALA 30 CO 0.35 -0.05 0.00 -1.13 0.00 0.00 0.00 175.76 174.93 1i6g n SER 31 N -1.19 2.37 -4.32 0.00 3.41 -0.81 -3.88 113.62 109.21 1i6g n SER 31 Ca -0.15 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.00 1i6g n SER 31 Cb 0.67 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.62 1i6g n SER 31 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1i6g s GLY 32 N -3.52 2.87 -0.22 5.00 0.00 -0.90 -4.83 107.32 105.72 1i6g s GLY 32 Ca 0.00 -3.52 -0.06 0.00 0.00 0.00 0.00 44.72 41.14 1i6g s GLY 32 CO 0.00 1.28 0.03 -0.32 0.00 0.00 0.00 173.10 174.08 1i6g s GLY 33 N 1.73 1.73 0.31 0.20 0.00 -1.26 -0.11 107.32 109.92 1i6g s GLY 33 Ca 0.23 -1.07 -0.13 0.00 0.00 0.00 0.00 44.72 43.75 1i6g s GLY 33 CO -0.09 0.39 0.60 -2.38 0.00 0.00 0.00 173.10 171.62 1i6g s HIS 34 N 1.31 0.36 -0.29 1.90 -3.43 -0.64 -1.52 115.29 112.98 1i6g s HIS 34 Ca 0.04 -0.79 -0.11 0.00 -0.80 0.00 0.00 55.06 53.40 1i6g s HIS 34 Cb -0.15 0.39 -0.04 0.00 -1.43 0.00 0.00 32.58 31.35 1i6g s HIS 34 CO 0.02 -1.22 0.20 0.00 -2.00 0.00 0.00 174.74 171.74 1i6g s TYR 36 N 1.74 0.62 -1.47 0.00 6.14 0.10 -4.81 117.35 119.67 1i6g s TYR 36 Ca 0.07 -0.14 -0.07 0.00 0.64 0.00 0.00 57.07 57.57 1i6g s TYR 36 Cb -0.16 -0.51 0.01 0.00 0.42 0.00 0.00 41.96 41.72 1i6g s TYR 36 CO 0.10 -0.11 0.88 0.00 0.64 0.00 0.00 175.55 177.07 1i6g n ALA 37 N 3.58 -1.14 -0.85 3.97 0.00 -1.26 -1.08 120.51 123.73 1i6g n ALA 37 Ca -0.21 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1i6g n ALA 37 Cb 0.54 -4.64 0.00 0.00 0.00 0.00 0.00 19.45 15.35 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 -4.50 -0.52 -4.34 0.00 1.56 -1.26 -4.96 117.12 103.10 1i6g n MET 38 Ca -0.05 0.13 -0.19 0.00 -0.27 0.00 0.00 57.70 57.32 1i6g n MET 38 Cb 0.59 -3.86 -0.10 0.00 2.15 0.00 0.00 33.22 32.00 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 -2.24 2.57 0.45 6.12 0.01 -0.24 -2.03 113.70 118.34 1i6g s SER 39 Ca 0.00 -0.98 -0.11 0.00 1.31 0.00 0.00 55.95 56.17 1i6g s SER 39 Cb 0.00 -0.14 -0.06 0.00 0.21 0.00 0.00 66.02 66.03 1i6g s SER 39 CO 0.00 -0.14 0.83 0.00 0.41 0.00 0.00 173.24 174.34 1i6g s TYR 41 N -2.50 -0.40 0.07 0.00 5.04 -0.60 -4.10 117.35 114.85 1i6g s TYR 41 Ca 0.53 0.96 0.09 0.00 -2.44 0.00 0.00 57.07 56.20 1i6g s TYR 41 Cb -0.10 0.14 -0.03 0.00 0.35 0.00 0.00 41.96 42.32 1i6g s TYR 41 CO 0.34 -0.21 -0.24 0.00 -1.34 0.00 0.00 175.55 174.10 1i6g s GLU 43 N -1.48 1.91 0.00 0.00 2.12 0.84 -2.44 118.70 119.65 1i6g s GLU 43 Ca 0.10 -1.67 0.00 0.00 0.36 0.00 0.00 54.97 53.76 1i6g s GLU 43 Cb -0.10 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.04 1i6g s GLU 43 CO 0.03 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.30 1i6g n GLY 44 N 4.44 0.40 3.07 -1.50 0.00 -0.70 -1.92 105.19 108.98 1i6g n GLY 44 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.85 -4.78 0.99 4.77 0.43 -3.77 117.00 111.79 1i6g n LEU 45 Ca 0.00 -0.03 -0.34 0.00 -0.03 0.00 0.00 56.01 55.60 1i6g n LEU 45 Cb 0.00 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.48 1i6g n LEU 45 CO 0.00 -2.68 0.76 -2.16 -1.33 0.00 0.00 177.39 171.98 1i6g s PRO 46 N -2.39 3.27 0.58 3.23 0.04 -1.26 0.76 135.00 139.22 1i6g s PRO 46 Ca 0.41 1.50 0.29 0.00 0.04 0.00 0.00 61.00 63.24 1i6g s PRO 46 Cb 0.05 -2.00 1.58 0.00 0.04 0.00 0.00 34.50 34.17 1i6g s PRO 46 CO 0.66 -0.90 1.88 1.49 0.04 0.00 0.00 177.00 180.17 1i6g h GLU 47 N 0.89 0.00 -0.23 4.56 4.81 -1.91 -0.60 114.58 122.10 1i6g h GLU 47 Ca -0.49 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.56 1i6g h GLU 47 Cb 1.25 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.47 1i6g h GLU 47 CO 0.56 0.00 -0.65 0.27 -0.73 0.00 0.00 179.01 178.47 1i6g n ASN 48 N -2.73 2.58 -4.72 1.04 6.94 -1.26 -4.98 115.26 112.14 1i6g n ASN 48 Ca -0.02 -3.68 -0.32 0.00 -0.02 0.00 0.00 54.58 50.53 1i6g n ASN 48 Cb 0.28 -0.46 0.11 0.00 -2.36 0.00 0.00 39.78 37.36 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 -3.15 1.97 -1.17 -2.53 0.00 -0.23 -4.92 121.76 111.73 1i6g s ALA 49 Ca 0.41 0.64 -0.10 0.00 0.00 0.00 0.00 51.96 52.92 1i6g s ALA 49 Cb 0.38 -3.41 0.23 0.00 0.00 0.00 0.00 23.12 20.32 1i6g s ALA 49 CO -0.04 -2.09 1.40 1.17 0.00 0.00 0.00 175.76 176.19 1i6g n LYS 50 N -3.33 3.66 -4.60 0.00 3.00 -1.26 -4.98 118.16 110.65 1i6g n LYS 50 Ca 0.12 -4.14 -0.27 0.00 -0.00 0.00 0.00 58.31 54.01 1i6g n LYS 50 Cb 0.51 -2.76 -0.09 0.00 0.00 0.00 0.00 35.03 32.69 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 -0.37 1.32 0.42 3.15 -7.23 -1.25 -2.46 120.40 113.98 1i6g s VAL 51 Ca 0.36 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.31 1i6g s VAL 51 Cb -0.02 -2.61 -0.10 0.00 0.56 0.00 0.00 36.38 34.21 1i6g s VAL 51 CO -0.01 0.00 1.00 -0.55 -0.31 0.00 0.00 175.10 175.23 1i6g s SER 52 N -3.68 6.80 -0.09 4.85 0.15 0.25 -4.83 113.70 117.16 1i6g s SER 52 Ca 0.26 1.87 0.13 0.00 0.70 0.00 0.00 55.95 58.90 1i6g s SER 52 Cb 0.06 -2.56 0.38 0.00 -1.71 0.00 0.00 66.02 62.18 1i6g s SER 52 CO 0.13 -0.46 1.30 -0.90 1.20 0.00 0.00 173.24 174.51 1i6g n ASP 53 N -0.39 3.22 -3.90 5.45 5.68 -1.26 -4.06 116.55 121.30 1i6g n ASP 53 Ca 0.06 -2.53 -0.29 0.00 -0.50 0.00 0.00 54.79 51.54 1i6g n ASP 53 Cb 0.52 -0.36 -0.16 0.00 -1.14 0.00 0.00 41.12 39.97 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 -1.55 3.23 -0.10 -1.12 1.04 -1.26 -4.98 113.70 108.96 1i6g s SER 54 Ca 0.30 -0.87 0.08 0.00 0.48 0.00 0.00 55.95 55.94 1i6g s SER 54 Cb 0.22 -1.00 0.40 0.00 0.10 0.00 0.00 66.02 65.74 1i6g s SER 54 CO 0.10 -0.21 1.16 0.00 0.98 0.00 0.00 173.24 175.27 1i6g n ALA 55 N 4.81 3.06 -2.83 5.32 0.00 -1.26 -4.19 120.51 125.41 1i6g n ALA 55 Ca -0.12 -0.91 -0.11 0.00 0.00 0.00 0.00 53.44 52.30 1i6g n ALA 55 Cb 0.46 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 18.92 1i6g n ALA 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i6g n THR 56 N 0.37 0.17 -3.64 0.00 -2.24 -1.26 -5.10 114.28 102.58 1i6g n THR 56 Ca 0.14 -2.69 -0.07 0.00 -2.27 0.00 0.00 64.05 59.16 1i6g n THR 56 Cb 0.65 0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 69.53 1i6g n THR 56 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1i6g s ASN 57 N -1.98 -0.94 -0.34 3.42 4.22 -1.26 -5.13 114.94 112.93 1i6g s ASN 57 Ca 0.28 1.51 -0.12 0.00 -2.14 0.00 0.00 52.86 52.39 1i6g s ASN 57 Cb 0.37 1.39 -0.01 0.00 1.28 0.00 0.00 41.25 44.28 1i6g s ASN 57 CO -0.05 -0.24 0.22 -0.51 -2.04 0.00 0.00 177.10 174.49 1i6g s ILE 58 N 1.61 5.08 0.28 0.54 1.10 -1.26 -5.04 121.20 123.51 1i6g s ILE 58 Ca -0.10 -0.34 -0.26 0.00 -0.51 0.00 0.00 60.65 59.44 1i6g s ILE 58 Cb -0.05 -3.64 -0.09 0.00 0.15 0.00 0.00 42.46 38.83 1i6g s ILE 58 CO -0.20 -0.03 0.89 0.00 -2.11 0.00 0.00 174.94 173.50