#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 5.88 0.00 -5.58 1.01 -1.26 0.19 116.67 116.91 1i6g s ASP 2 Ca 0.00 0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.54 1i6g s ASP 2 Cb 0.00 -1.87 0.00 0.00 1.01 0.00 0.00 42.92 42.06 1i6g s ASP 2 CO 0.00 0.34 0.00 0.61 0.21 0.00 0.00 175.17 176.33 1i6g n GLY 3 N 2.43 -1.24 3.61 0.21 0.00 -0.99 -4.98 105.19 104.23 1i6g n GLY 3 Ca -0.19 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.99 3.25 0.26 1.61 1.51 -1.26 -2.06 117.35 117.67 1i6g s TYR 4 Ca 0.00 0.06 -0.28 0.00 -1.01 0.00 0.00 57.07 55.85 1i6g s TYR 4 Cb 0.00 -2.23 -0.09 0.00 -0.11 0.00 0.00 41.96 39.53 1i6g s TYR 4 CO 0.00 -0.01 0.91 -1.25 -1.11 0.00 0.00 175.55 174.09 1i6g s PRO 5 N 1.06 4.70 0.46 -1.71 0.04 -1.25 -1.55 135.00 136.75 1i6g s PRO 5 Ca 0.06 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.52 1i6g s PRO 5 Cb -0.14 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1i6g s PRO 5 CO 0.04 0.44 0.15 0.14 0.04 0.00 0.00 177.00 177.81 1i6g s VAL 6 N -1.34 1.86 0.55 -0.36 -7.23 -0.69 -1.71 120.40 111.48 1i6g s VAL 6 Ca 0.43 -1.78 0.04 0.00 -1.81 0.00 0.00 61.98 58.87 1i6g s VAL 6 Cb -0.23 -2.63 0.05 0.00 0.56 0.00 0.00 36.38 34.13 1i6g s VAL 6 CO 0.28 0.00 0.77 1.51 -0.31 0.00 0.00 175.10 177.35 1i6g s ASP 7 N -3.94 5.17 0.61 4.85 1.47 -0.84 -4.84 116.67 119.14 1i6g s ASP 7 Ca 0.30 -0.34 0.27 0.00 1.18 0.00 0.00 52.55 53.97 1i6g s ASP 7 Cb 0.03 -0.44 1.10 0.00 -0.34 0.00 0.00 42.92 43.27 1i6g s ASP 7 CO 0.17 -1.22 1.50 0.77 0.68 0.00 0.00 175.17 177.08 1i6g h SER 8 N 0.12 0.00 0.23 2.11 4.64 -1.99 0.54 113.55 119.20 1i6g h SER 8 Ca -0.38 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.59 1i6g h SER 8 Cb 1.29 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.40 1i6g h SER 8 CO 0.46 0.00 -1.62 0.50 -0.87 0.00 0.00 176.83 175.30 1i6g h LYS 9 N 0.00 0.48 0.00 4.77 1.63 -2.04 -3.48 116.57 117.93 1i6g h LYS 9 Ca 0.38 -0.82 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1i6g h LYS 9 Cb 2.28 0.30 0.00 0.00 -0.60 0.00 0.00 32.23 34.22 1i6g h LYS 9 CO -0.00 1.39 0.00 0.41 -3.45 0.00 0.00 179.45 177.80 1i6g n GLY 10 N 1.79 0.88 3.76 5.01 0.00 0.19 -4.69 105.19 112.12 1i6g n GLY 10 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 2.09 1.48 -2.63 0.00 5.02 -1.26 -1.98 118.16 120.87 1i6g n LYS 12 Ca -0.03 0.54 -0.43 0.00 -2.02 0.00 0.00 58.31 56.37 1i6g n LYS 12 Cb 0.49 -2.31 -0.02 0.00 -0.02 0.00 0.00 35.03 33.17 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 -2.00 3.84 -0.13 -0.35 2.96 -0.69 -4.84 118.68 117.46 1i6g s LEU 13 Ca 0.68 0.84 -0.29 0.00 -0.22 0.00 0.00 54.13 55.14 1i6g s LEU 13 Cb -0.47 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.64 1i6g s LEU 13 CO 0.53 -1.00 1.81 -0.44 -1.32 0.00 0.00 176.35 175.93 1i6g s SER 14 N 1.93 6.28 -0.01 3.68 0.01 -1.26 0.14 113.70 124.46 1i6g s SER 14 Ca 0.46 2.03 -0.18 0.00 1.31 0.00 0.00 55.95 59.56 1i6g s SER 14 Cb -0.10 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 1i6g s SER 14 CO 0.21 -1.28 0.52 0.00 0.41 0.00 0.00 173.24 173.10 1i6g n VAL 16 N 2.51 0.08 -3.65 0.00 3.14 -1.26 -4.60 118.33 114.55 1i6g n VAL 16 Ca -0.09 -0.24 -0.15 0.00 -2.96 0.00 0.00 64.34 60.90 1i6g n VAL 16 Cb 0.51 0.15 -0.08 0.00 -1.06 0.00 0.00 33.84 33.37 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 -2.62 -1.45 0.23 1.55 0.00 -1.26 -5.03 121.76 113.19 1i6g s ALA 17 Ca -0.04 1.41 -0.08 0.00 0.00 0.00 0.00 51.96 53.25 1i6g s ALA 17 Cb 0.06 -0.61 0.38 0.00 0.00 0.00 0.00 23.12 22.95 1i6g s ALA 17 CO 0.40 -0.30 1.65 -0.91 0.00 0.00 0.00 175.76 176.60 1i6g h ASN 18 N 4.51 -0.28 -0.71 0.00 2.35 -1.91 0.11 115.58 119.65 1i6g h ASN 18 Ca -0.28 0.17 0.10 0.00 -0.55 0.00 0.00 56.30 55.75 1i6g h ASN 18 Cb 1.16 0.30 -0.08 0.00 0.05 0.00 0.00 38.32 39.75 1i6g h ASN 18 CO 0.23 -0.14 0.33 -0.55 -1.65 0.00 0.00 177.43 175.65 1i6g h ASN 19 N 0.13 0.40 -0.92 5.81 -1.07 -1.96 0.14 115.58 118.11 1i6g h ASN 19 Ca 0.37 0.07 0.18 0.00 0.07 0.00 0.00 56.30 56.99 1i6g h ASN 19 Cb 0.63 0.01 -0.08 0.00 -2.07 0.00 0.00 38.32 36.82 1i6g h ASN 19 CO -0.59 0.22 0.59 0.22 0.07 0.00 0.00 177.43 177.94 1i6g h TYR 20 N 0.55 0.76 0.05 4.14 3.20 -1.14 -2.16 116.97 122.37 1i6g h TYR 20 Ca 0.36 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 62.10 1i6g h TYR 20 Cb 0.43 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1i6g h TYR 20 CO -0.12 0.23 -0.80 0.00 -1.64 0.00 0.00 178.16 175.82 1i6g h ASP 22 N -0.72 0.30 0.00 0.00 3.58 0.24 0.61 116.42 120.44 1i6g h ASP 22 Ca -0.19 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1i6g h ASP 22 Cb 1.37 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.51 1i6g h ASP 22 CO -0.01 -0.10 -0.13 -1.13 -2.88 0.00 0.00 179.24 174.99 1i6g h ASN 23 N 0.18 0.00 -0.73 2.28 -1.24 -1.50 -2.33 115.58 112.23 1i6g h ASN 23 Ca 0.75 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.90 1i6g h ASN 23 Cb 2.23 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 41.14 1i6g h ASN 23 CO -0.38 0.49 -0.25 -0.61 -1.29 0.00 0.00 177.43 175.40 1i6g h GLN 24 N -0.86 -0.04 -0.08 6.67 5.75 -0.98 0.35 115.11 125.92 1i6g h GLN 24 Ca 0.00 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1i6g h GLN 24 Cb 0.13 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1i6g h GLN 24 CO 0.00 -0.03 -0.04 0.00 -2.65 0.00 0.00 178.83 176.11 1i6g h LYS 26 N -0.03 0.20 -0.44 0.00 3.64 0.14 0.65 116.57 120.73 1i6g h LYS 26 Ca 0.04 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1i6g h LYS 26 Cb 0.09 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1i6g h LYS 26 CO -0.10 0.13 0.30 0.52 -2.27 0.00 0.00 179.45 178.04 1i6g h MET 27 N 0.21 0.29 -0.95 1.90 2.86 -0.05 0.67 114.93 119.87 1i6g h MET 27 Ca 0.37 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.83 1i6g h MET 27 Cb 0.61 -0.07 -0.10 0.00 0.06 0.00 0.00 31.60 32.11 1i6g h MET 27 CO -0.51 0.19 0.20 1.63 1.06 0.00 0.00 176.91 179.49 1i6g n LYS 28 N -4.47 1.87 -3.52 1.72 4.76 0.22 -4.84 118.16 113.90 1i6g n LYS 28 Ca 0.06 -1.32 -0.21 0.00 -2.87 0.00 0.00 58.31 53.97 1i6g n LYS 28 Cb 0.29 -1.60 0.08 0.00 -1.84 0.00 0.00 35.03 31.97 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 -0.07 -7.37 -4.13 1.97 4.81 0.23 -4.03 118.16 109.56 1i6g n LYS 29 Ca 0.22 0.83 -0.28 0.00 -0.87 0.00 0.00 58.31 58.22 1i6g n LYS 29 Cb 0.91 -5.86 -0.03 0.00 0.02 0.00 0.00 35.03 30.07 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 -3.33 4.26 0.00 3.14 0.00 -0.67 -4.18 121.76 120.97 1i6g s ALA 30 Ca 0.34 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1i6g s ALA 30 Cb -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1i6g s ALA 30 CO 0.73 -0.30 0.00 0.45 0.00 0.00 0.00 175.76 176.63 1i6g n SER 31 N -1.58 2.34 -4.19 0.00 2.88 -0.71 -4.35 113.62 108.01 1i6g n SER 31 Ca -0.06 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.09 1i6g n SER 31 Cb 0.65 0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 64.09 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 -3.49 3.14 -0.33 0.46 0.00 -1.00 -4.85 107.32 101.26 1i6g s GLY 32 Ca 0.00 -3.85 -0.16 0.00 0.00 0.00 0.00 44.72 40.71 1i6g s GLY 32 CO 0.00 1.24 0.40 -0.32 0.00 0.00 0.00 173.10 174.42 1i6g s GLY 33 N 0.37 1.88 0.24 0.20 0.00 -1.26 -0.66 107.32 108.10 1i6g s GLY 33 Ca 0.29 -1.10 -0.09 0.00 0.00 0.00 0.00 44.72 43.82 1i6g s GLY 33 CO -0.11 1.05 0.39 -2.38 0.00 0.00 0.00 173.10 172.05 1i6g s HIS 34 N 2.11 0.63 -0.09 1.90 -3.43 -0.49 0.27 115.29 116.19 1i6g s HIS 34 Ca 0.14 -0.95 -0.10 0.00 -0.80 0.00 0.00 55.06 53.36 1i6g s HIS 34 Cb -0.16 -0.03 -0.05 0.00 -1.43 0.00 0.00 32.58 30.91 1i6g s HIS 34 CO 0.12 -0.91 0.22 0.00 -2.00 0.00 0.00 174.74 172.17 1i6g s TYR 36 N -0.97 -1.07 -0.95 0.00 6.14 -0.59 -4.87 117.35 115.05 1i6g s TYR 36 Ca 0.17 2.00 -0.04 0.00 0.64 0.00 0.00 57.07 59.84 1i6g s TYR 36 Cb -0.13 0.60 0.00 0.00 0.42 0.00 0.00 41.96 42.85 1i6g s TYR 36 CO 0.07 -0.55 0.47 0.00 0.64 0.00 0.00 175.55 176.17 1i6g n ALA 37 N 4.95 -0.66 -1.02 3.97 0.00 -1.26 -1.96 120.51 124.53 1i6g n ALA 37 Ca -0.15 0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 1i6g n ALA 37 Cb 0.53 -2.89 -0.00 0.00 0.00 0.00 0.00 19.45 17.09 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 -2.94 -1.90 -4.79 0.00 2.81 -1.26 -4.93 117.12 104.11 1i6g n MET 38 Ca -0.05 0.50 -0.26 0.00 -1.81 0.00 0.00 57.70 56.07 1i6g n MET 38 Cb 0.57 -4.93 -0.15 0.00 -0.71 0.00 0.00 33.22 28.00 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 -2.02 2.42 0.35 7.83 0.01 -0.83 -2.18 113.70 119.28 1i6g s SER 39 Ca 0.00 -0.45 -0.26 0.00 1.31 0.00 0.00 55.95 56.55 1i6g s SER 39 Cb 0.00 -0.23 -0.09 0.00 0.21 0.00 0.00 66.02 65.91 1i6g s SER 39 CO 0.00 0.20 1.07 0.00 0.41 0.00 0.00 173.24 174.91 1i6g s TYR 41 N -1.46 0.51 0.05 0.00 5.04 -0.53 -3.85 117.35 117.11 1i6g s TYR 41 Ca 0.53 -0.10 0.08 0.00 -2.44 0.00 0.00 57.07 55.14 1i6g s TYR 41 Cb -0.26 -0.47 -0.03 0.00 0.35 0.00 0.00 41.96 41.55 1i6g s TYR 41 CO 0.33 -0.11 -0.22 0.00 -1.34 0.00 0.00 175.55 174.20 1i6g s GLU 43 N -1.38 2.71 0.00 0.00 2.12 0.17 -2.35 118.70 119.97 1i6g s GLU 43 Ca 0.13 -2.32 0.00 0.00 0.36 0.00 0.00 54.97 53.15 1i6g s GLU 43 Cb -0.10 -3.89 0.00 0.00 0.26 0.00 0.00 34.13 30.39 1i6g s GLU 43 CO 0.04 -1.19 0.00 0.41 -0.54 0.00 0.00 175.26 173.98 1i6g n GLY 44 N 3.94 1.37 3.66 -1.50 0.00 -0.48 -1.74 105.19 110.44 1i6g n GLY 44 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 1.66 0.16 0.99 1.43 0.50 -3.90 118.68 119.52 1i6g s LEU 45 Ca 0.00 1.32 -0.30 0.00 -1.03 0.00 0.00 54.13 54.12 1i6g s LEU 45 Cb 0.00 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.63 1i6g s LEU 45 CO 0.00 -3.17 1.13 -2.16 0.23 0.00 0.00 176.35 172.38 1i6g s PRO 46 N -4.89 4.55 0.63 1.29 0.04 -1.26 0.27 135.00 135.64 1i6g s PRO 46 Ca 0.65 1.75 0.23 0.00 0.04 0.00 0.00 61.00 63.68 1i6g s PRO 46 Cb -0.19 -3.28 1.15 0.00 0.04 0.00 0.00 34.50 32.21 1i6g s PRO 46 CO 0.58 -0.01 1.63 1.49 0.04 0.00 0.00 177.00 180.74 1i6g h GLU 47 N 5.39 0.00 -0.42 4.56 4.81 -1.95 0.94 114.58 127.92 1i6g h GLU 47 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1i6g h GLU 47 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1i6g h GLU 47 CO 0.74 0.00 0.00 0.27 -0.73 0.00 0.00 179.01 179.29 1i6g n ASN 48 N -3.11 4.73 -4.79 1.04 6.94 -1.26 -5.00 115.26 113.81 1i6g n ASN 48 Ca 0.06 -2.94 -0.32 0.00 -0.02 0.00 0.00 54.58 51.35 1i6g n ASN 48 Cb 0.78 -0.60 0.04 0.00 -2.36 0.00 0.00 39.78 37.64 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 -2.73 2.56 -0.59 -2.53 0.00 0.33 -4.98 121.76 113.82 1i6g s ALA 49 Ca 0.48 0.38 -0.19 0.00 0.00 0.00 0.00 51.96 52.63 1i6g s ALA 49 Cb 0.37 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 20.33 1i6g s ALA 49 CO 0.13 -1.18 0.71 0.21 0.00 0.00 0.00 175.76 175.63 1i6g s LYS 50 N -4.35 3.04 0.30 0.00 2.20 -1.26 -5.00 119.74 114.67 1i6g s LYS 50 Ca 0.64 -1.33 0.03 0.00 -0.36 0.00 0.00 55.97 54.95 1i6g s LYS 50 Cb -0.17 -4.27 -0.06 0.00 -1.51 0.00 0.00 37.83 31.82 1i6g s LYS 50 CO 0.44 -1.55 0.06 0.14 -0.36 0.00 0.00 175.35 174.08 1i6g s VAL 51 N 2.68 1.04 0.25 4.02 -7.23 -1.25 -1.70 120.40 118.21 1i6g s VAL 51 Ca 0.11 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.18 1i6g s VAL 51 Cb -0.24 -2.71 -0.07 0.00 0.56 0.00 0.00 36.38 33.92 1i6g s VAL 51 CO 0.06 -0.04 0.57 -0.55 -0.31 0.00 0.00 175.10 174.83 1i6g s SER 52 N -3.43 6.63 -0.37 4.85 0.15 -0.59 -4.93 113.70 116.01 1i6g s SER 52 Ca 0.36 0.95 0.07 0.00 0.70 0.00 0.00 55.95 58.03 1i6g s SER 52 Cb 0.08 -2.24 0.61 0.00 -1.71 0.00 0.00 66.02 62.76 1i6g s SER 52 CO 0.14 -0.10 1.72 -0.90 1.20 0.00 0.00 173.24 175.30 1i6g n ASP 53 N -0.23 3.36 -3.66 5.45 5.68 -1.26 -4.38 116.55 121.51 1i6g n ASP 53 Ca 0.01 -3.62 -0.10 0.00 -0.50 0.00 0.00 54.79 50.58 1i6g n ASP 53 Cb 0.53 -0.74 -0.03 0.00 -1.14 0.00 0.00 41.12 39.73 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 -1.78 -0.32 0.00 -1.12 1.04 -1.26 -5.03 113.70 105.23 1i6g s SER 54 Ca 0.52 -0.36 0.26 0.00 0.48 0.00 0.00 55.95 56.85 1i6g s SER 54 Cb 0.44 0.58 0.75 0.00 0.10 0.00 0.00 66.02 67.89 1i6g s SER 54 CO 0.07 -1.02 1.56 0.00 0.98 0.00 0.00 173.24 174.83 1i6g n ALA 55 N -0.34 3.10 -1.26 5.32 0.00 -1.26 -4.90 120.51 121.17 1i6g n ALA 55 Ca -0.12 -0.40 -0.06 0.00 0.00 0.00 0.00 53.44 52.86 1i6g n ALA 55 Cb 0.63 -1.14 0.06 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.72 0.00 -3.80 0.00 -1.04 -1.26 -5.04 114.28 102.42 1i6g n THR 56 Ca 0.12 -0.29 -0.36 0.00 -2.04 0.00 0.00 64.05 61.48 1i6g n THR 56 Cb 0.35 -1.83 -0.11 0.00 -1.82 0.00 0.00 70.33 66.92 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 -2.44 5.61 -0.51 8.00 4.22 -1.26 -5.04 114.94 123.52 1i6g s ASN 57 Ca 0.22 -0.02 0.04 0.00 -2.14 0.00 0.00 52.86 50.96 1i6g s ASN 57 Cb -0.01 -2.00 0.16 0.00 1.28 0.00 0.00 41.25 40.68 1i6g s ASN 57 CO 0.16 0.05 0.35 -0.51 -2.04 0.00 0.00 177.10 175.11 1i6g s ILE 58 N 1.12 1.56 0.00 0.54 2.07 -1.26 -5.11 121.20 120.12 1i6g s ILE 58 Ca 0.05 -3.12 0.00 0.00 -1.41 0.00 0.00 60.65 56.17 1i6g s ILE 58 Cb -0.14 -2.06 0.00 0.00 0.13 0.00 0.00 42.46 40.39 1i6g s ILE 58 CO 0.04 -1.03 0.00 0.00 -1.91 0.00 0.00 174.94 172.04