#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 6.17 0.00 -5.58 1.01 -1.26 -0.34 116.67 116.67 1i6g s ASP 2 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.27 1i6g s ASP 2 Cb 0.00 -1.77 0.00 0.00 1.01 0.00 0.00 42.92 42.16 1i6g s ASP 2 CO 0.00 -0.07 0.00 0.61 0.21 0.00 0.00 175.17 175.92 1i6g n GLY 3 N -1.37 -1.11 3.56 0.21 0.00 -1.06 -4.97 105.19 100.46 1i6g n GLY 3 Ca -0.09 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.00 3.06 0.27 1.61 1.51 -1.25 -2.34 117.35 117.21 1i6g s TYR 4 Ca 0.00 -0.11 -0.29 0.00 -1.01 0.00 0.00 57.07 55.66 1i6g s TYR 4 Cb 0.00 -1.89 -0.09 0.00 -0.11 0.00 0.00 41.96 39.86 1i6g s TYR 4 CO 0.00 0.15 1.09 -1.25 -1.11 0.00 0.00 175.55 174.43 1i6g s PRO 5 N -0.10 4.65 0.43 -1.71 0.04 -1.26 -1.49 135.00 135.56 1i6g s PRO 5 Ca 0.03 1.79 0.06 0.00 0.04 0.00 0.00 61.00 62.92 1i6g s PRO 5 Cb -0.13 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 1i6g s PRO 5 CO 0.02 0.22 0.07 0.14 0.04 0.00 0.00 177.00 177.49 1i6g s VAL 6 N -1.11 1.97 0.28 -0.36 -7.23 -0.99 -0.56 120.40 112.40 1i6g s VAL 6 Ca 0.45 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 1i6g s VAL 6 Cb -0.32 -2.87 0.03 0.00 0.56 0.00 0.00 36.38 33.79 1i6g s VAL 6 CO 0.40 0.00 0.27 -0.90 -0.31 0.00 0.00 175.10 174.56 1i6g n ASP 7 N -1.11 1.60 0.33 4.85 5.68 -0.69 -4.87 116.55 122.34 1i6g n ASP 7 Ca -0.06 -1.88 0.20 0.00 -0.50 0.00 0.00 54.79 52.55 1i6g n ASP 7 Cb 0.66 -0.08 1.05 0.00 -1.14 0.00 0.00 41.12 41.61 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 0.24 0.00 0.89 -1.12 4.64 -2.01 0.28 113.55 116.46 1i6g h SER 8 Ca -0.16 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.98 1i6g h SER 8 Cb 0.63 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 1i6g h SER 8 CO 0.25 0.00 -1.20 0.50 -0.87 0.00 0.00 176.83 175.51 1i6g h LYS 9 N 0.00 0.00 0.00 4.77 1.63 -1.99 -3.47 116.57 117.50 1i6g h LYS 9 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1i6g h LYS 9 Cb 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1i6g h LYS 9 CO -0.00 0.44 0.00 0.41 -3.45 0.00 0.00 179.45 176.85 1i6g n GLY 10 N 1.37 0.88 3.77 5.01 0.00 0.09 -4.87 105.19 111.44 1i6g n GLY 10 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1i6g n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6g s LYS 12 N -0.55 2.30 -0.71 0.00 1.02 -1.26 -1.70 119.74 118.84 1i6g s LYS 12 Ca 0.33 1.75 -0.27 0.00 0.02 0.00 0.00 55.97 57.81 1i6g s LYS 12 Cb -0.20 -1.85 0.03 0.00 -0.52 0.00 0.00 37.83 35.29 1i6g s LYS 12 CO 0.21 -1.71 1.28 -1.17 -0.92 0.00 0.00 175.35 173.03 1i6g s LEU 13 N -4.97 3.22 0.98 3.17 2.96 0.28 -4.85 118.68 119.46 1i6g s LEU 13 Ca 0.74 -0.33 -0.14 0.00 -0.22 0.00 0.00 54.13 54.18 1i6g s LEU 13 Cb -0.29 -2.67 0.03 0.00 0.50 0.00 0.00 46.19 43.75 1i6g s LEU 13 CO 0.43 -1.78 0.20 -1.20 -1.32 0.00 0.00 176.35 172.68 1i6g n SER 14 N 9.27 -2.51 -3.86 3.68 7.64 -1.26 -0.58 113.62 126.00 1i6g n SER 14 Ca 0.04 0.24 -0.12 0.00 1.01 0.00 0.00 58.87 60.05 1i6g n SER 14 Cb 0.49 -1.11 -0.12 0.00 -1.01 0.00 0.00 64.21 62.46 1i6g n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i6g n VAL 16 N 2.44 0.00 -4.07 0.00 3.14 -1.26 -4.61 118.33 113.97 1i6g n VAL 16 Ca -0.16 -0.14 -0.09 0.00 -2.96 0.00 0.00 64.34 60.98 1i6g n VAL 16 Cb 0.58 0.36 -0.09 0.00 -1.06 0.00 0.00 33.84 33.62 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 -2.43 0.52 -0.09 1.55 0.00 -1.26 -5.07 121.76 114.97 1i6g s ALA 17 Ca -0.02 -1.23 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 1i6g s ALA 17 Cb 0.04 0.75 -0.27 0.00 0.00 0.00 0.00 23.12 23.64 1i6g s ALA 17 CO 0.26 -0.51 0.87 -0.91 0.00 0.00 0.00 175.76 175.47 1i6g h ASN 18 N 2.82 0.18 -1.24 0.00 4.21 -1.94 -3.26 115.58 116.35 1i6g h ASN 18 Ca -0.34 -0.93 0.38 0.00 1.21 0.00 0.00 56.30 56.62 1i6g h ASN 18 Cb 1.20 -0.06 -0.11 0.00 -1.12 0.00 0.00 38.32 38.23 1i6g h ASN 18 CO 0.57 1.09 0.81 -0.55 -1.29 0.00 0.00 177.43 178.07 1i6g h ASN 19 N -0.71 0.28 0.04 5.81 7.08 -1.98 0.13 115.58 126.23 1i6g h ASN 19 Ca -0.05 0.10 0.03 0.00 -3.08 0.00 0.00 56.30 53.31 1i6g h ASN 19 Cb 1.17 0.08 -0.05 0.00 -2.08 0.00 0.00 38.32 37.44 1i6g h ASN 19 CO 0.05 -0.08 -0.40 0.22 -2.08 0.00 0.00 177.43 175.15 1i6g h TYR 20 N 0.17 -1.11 -0.33 4.14 3.20 -1.94 -2.22 116.97 118.88 1i6g h TYR 20 Ca 0.73 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 62.51 1i6g h TYR 20 Cb 2.25 0.48 -0.01 0.00 1.54 0.00 0.00 36.73 40.99 1i6g h TYR 20 CO -0.00 -0.48 -0.30 0.00 -1.64 0.00 0.00 178.16 175.73 1i6g h ASP 22 N 0.60 -0.93 0.21 0.00 1.82 -0.63 0.56 116.42 118.04 1i6g h ASP 22 Ca 0.07 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 1i6g h ASP 22 Cb 0.82 0.37 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1i6g h ASP 22 CO 0.07 -0.23 -0.10 -1.13 -1.61 0.00 0.00 179.24 176.24 1i6g h ASN 23 N -0.25 -0.24 0.13 2.28 -1.24 -1.54 -2.32 115.58 112.40 1i6g h ASN 23 Ca 0.03 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 56.83 1i6g h ASN 23 Cb 0.33 0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 1i6g h ASN 23 CO -0.27 0.09 -0.33 -0.61 -1.29 0.00 0.00 177.43 175.02 1i6g h GLN 24 N -0.59 -0.49 -0.75 6.67 5.75 -1.34 -0.73 115.11 123.64 1i6g h GLN 24 Ca -0.03 0.03 0.12 0.00 -0.15 0.00 0.00 58.65 58.62 1i6g h GLN 24 Cb 0.43 0.11 -0.13 0.00 1.07 0.00 0.00 27.48 28.96 1i6g h GLN 24 CO 0.05 -0.32 -0.38 0.00 -2.65 0.00 0.00 178.83 175.53 1i6g h LYS 26 N -0.11 0.01 -0.69 0.00 3.64 -0.86 0.59 116.57 119.16 1i6g h LYS 26 Ca 0.26 -0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.84 1i6g h LYS 26 Cb 0.57 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1i6g h LYS 26 CO -0.80 0.01 0.49 0.52 -2.27 0.00 0.00 179.45 177.40 1i6g h MET 27 N 0.01 0.04 -0.98 1.90 2.86 0.10 0.27 114.93 119.13 1i6g h MET 27 Ca 0.30 -0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.73 1i6g h MET 27 Cb 0.46 -0.01 -0.12 0.00 0.06 0.00 0.00 31.60 31.99 1i6g h MET 27 CO -0.62 0.02 0.27 1.63 1.06 0.00 0.00 176.91 179.27 1i6g n LYS 28 N -4.35 1.68 -0.83 1.72 4.76 0.20 -4.80 118.16 116.54 1i6g n LYS 28 Ca 0.14 -1.35 0.00 0.00 -2.87 0.00 0.00 58.31 54.22 1i6g n LYS 28 Cb 0.74 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 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 -0.19 -0.62 -2.03 1.97 4.81 0.93 -4.56 118.16 118.47 1i6g n LYS 29 Ca 0.25 0.16 -0.28 0.00 -0.87 0.00 0.00 58.31 57.56 1i6g n LYS 29 Cb 0.99 -4.03 0.19 0.00 0.02 0.00 0.00 35.03 32.20 1i6g n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i6g n ALA 30 N 1.00 -1.24 0.00 3.14 0.00 -0.79 -4.62 120.51 118.00 1i6g n ALA 30 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 51.65 1i6g n ALA 30 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1i6g n ALA 30 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i6g n SER 31 N -3.70 0.28 -4.37 0.00 7.64 0.72 -4.05 113.62 110.15 1i6g n SER 31 Ca 0.17 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.59 1i6g n SER 31 Cb 0.58 0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.78 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 -2.66 2.77 -0.31 0.23 0.00 -1.00 -4.82 107.32 101.53 1i6g s GLY 32 Ca 0.00 -3.47 -0.11 0.00 0.00 0.00 0.00 44.72 41.14 1i6g s GLY 32 CO 0.00 1.48 0.18 -0.32 0.00 0.00 0.00 173.10 174.44 1i6g s GLY 33 N 2.09 1.90 -0.05 0.20 0.00 -1.26 -0.02 107.32 110.18 1i6g s GLY 33 Ca 0.28 -1.34 -0.15 0.00 0.00 0.00 0.00 44.72 43.51 1i6g s GLY 33 CO -0.07 0.71 0.35 -2.38 0.00 0.00 0.00 173.10 171.70 1i6g s HIS 34 N 1.67 -0.28 0.13 1.90 -3.43 0.04 -2.98 115.29 112.33 1i6g s HIS 34 Ca 0.05 0.54 -0.25 0.00 -0.80 0.00 0.00 55.06 54.60 1i6g s HIS 34 Cb -0.17 0.13 -0.07 0.00 -1.43 0.00 0.00 32.58 31.04 1i6g s HIS 34 CO 0.08 -0.35 0.77 0.00 -2.00 0.00 0.00 174.74 173.25 1i6g s TYR 36 N -0.82 -0.50 -1.20 0.00 6.14 0.61 -4.90 117.35 116.68 1i6g s TYR 36 Ca 0.37 0.77 -0.06 0.00 0.64 0.00 0.00 57.07 58.79 1i6g s TYR 36 Cb -0.22 0.33 0.04 0.00 0.42 0.00 0.00 41.96 42.53 1i6g s TYR 36 CO 0.25 -0.57 0.34 0.00 0.64 0.00 0.00 175.55 176.21 1i6g n ALA 37 N 0.85 -0.97 -1.04 3.97 0.00 -1.26 0.12 120.51 122.18 1i6g n ALA 37 Ca -0.19 0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 1i6g n ALA 37 Cb 0.58 -2.43 -0.01 0.00 0.00 0.00 0.00 19.45 17.59 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 -3.45 -1.38 -4.35 0.00 1.56 -1.26 -4.96 117.12 103.28 1i6g n MET 38 Ca -0.06 0.41 -0.21 0.00 -0.27 0.00 0.00 57.70 57.57 1i6g n MET 38 Cb 0.57 -4.48 -0.13 0.00 2.15 0.00 0.00 33.22 31.33 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 -2.07 1.92 0.56 6.12 0.01 0.32 -1.78 113.70 118.76 1i6g s SER 39 Ca 0.00 -0.53 -0.17 0.00 1.31 0.00 0.00 55.95 56.56 1i6g s SER 39 Cb 0.00 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 1i6g s SER 39 CO 0.00 0.03 1.03 0.00 0.41 0.00 0.00 173.24 174.72 1i6g s TYR 41 N -2.44 -0.26 0.00 0.00 5.04 -0.56 -4.23 117.35 114.90 1i6g s TYR 41 Ca 0.63 0.67 0.07 0.00 -2.44 0.00 0.00 57.07 55.99 1i6g s TYR 41 Cb -0.14 -0.02 -0.03 0.00 0.35 0.00 0.00 41.96 42.12 1i6g s TYR 41 CO 0.33 -0.22 -0.21 0.00 -1.34 0.00 0.00 175.55 174.12 1i6g s GLU 43 N -1.02 2.25 0.00 0.00 2.12 0.97 -2.55 118.70 120.47 1i6g s GLU 43 Ca 0.12 -1.72 0.00 0.00 0.36 0.00 0.00 54.97 53.73 1i6g s GLU 43 Cb -0.10 -3.69 0.00 0.00 0.26 0.00 0.00 34.13 30.59 1i6g s GLU 43 CO 0.02 -1.07 0.00 0.41 -0.54 0.00 0.00 175.26 174.08 1i6g n GLY 44 N 4.74 0.73 3.87 -1.50 0.00 -1.23 -0.20 105.19 111.59 1i6g n GLY 44 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 3.10 0.31 0.99 1.43 0.54 -3.54 118.68 121.51 1i6g s LEU 45 Ca 0.00 1.35 -0.29 0.00 -1.03 0.00 0.00 54.13 54.16 1i6g s LEU 45 Cb 0.00 -4.29 -0.10 0.00 0.03 0.00 0.00 46.19 41.83 1i6g s LEU 45 CO 0.00 -1.10 1.13 -2.16 0.23 0.00 0.00 176.35 174.45 1i6g s PRO 46 N -5.22 4.52 0.48 1.29 0.04 -1.26 0.25 135.00 135.10 1i6g s PRO 46 Ca 0.56 1.85 0.23 0.00 0.04 0.00 0.00 61.00 63.68 1i6g s PRO 46 Cb -0.11 -3.08 1.27 0.00 0.04 0.00 0.00 34.50 32.61 1i6g s PRO 46 CO 0.53 0.09 1.92 1.49 0.04 0.00 0.00 177.00 181.07 1i6g h GLU 47 N 3.56 0.18 -0.04 4.56 4.81 -1.95 0.46 114.58 126.16 1i6g h GLU 47 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1i6g h GLU 47 Cb 1.22 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1i6g h GLU 47 CO 0.66 0.12 0.00 0.27 -0.73 0.00 0.00 179.01 179.33 1i6g n ASN 48 N -4.40 0.28 -4.80 1.04 0.23 -1.26 -4.86 115.26 101.48 1i6g n ASN 48 Ca 0.15 -1.67 -0.32 0.00 -0.53 0.00 0.00 54.58 52.21 1i6g n ASN 48 Cb 0.69 -0.02 0.03 0.00 -2.08 0.00 0.00 39.78 38.40 1i6g n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i6g s ALA 49 N -1.95 2.68 -0.44 -2.53 0.00 0.16 -5.00 121.76 114.68 1i6g s ALA 49 Ca 0.19 0.31 -0.17 0.00 0.00 0.00 0.00 51.96 52.28 1i6g s ALA 49 Cb 0.09 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 20.02 1i6g s ALA 49 CO 0.15 -1.01 0.47 0.21 0.00 0.00 0.00 175.76 175.57 1i6g s LYS 50 N -4.40 3.09 0.14 0.00 2.47 -1.26 -5.01 119.74 114.77 1i6g s LYS 50 Ca 0.62 -0.84 -0.05 0.00 -1.56 0.00 0.00 55.97 54.15 1i6g s LYS 50 Cb -0.16 -4.01 -0.02 0.00 -1.46 0.00 0.00 37.83 32.18 1i6g s LYS 50 CO 0.43 -0.93 0.16 0.14 0.16 0.00 0.00 175.35 175.31 1i6g s VAL 51 N 2.18 0.09 -0.23 4.02 -7.23 -1.25 -2.35 120.40 115.62 1i6g s VAL 51 Ca 0.12 -1.65 -0.19 0.00 -1.81 0.00 0.00 61.98 58.45 1i6g s VAL 51 Cb -0.18 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 1i6g s VAL 51 CO 0.13 -0.40 0.55 -0.55 -0.31 0.00 0.00 175.10 174.52 1i6g s SER 52 N -3.00 6.54 -0.15 4.85 0.15 -0.55 -4.87 113.70 116.67 1i6g s SER 52 Ca 0.20 0.66 0.01 0.00 0.70 0.00 0.00 55.95 57.52 1i6g s SER 52 Cb 0.05 -2.30 0.19 0.00 -1.71 0.00 0.00 66.02 62.25 1i6g s SER 52 CO 0.00 -0.26 1.42 -0.90 1.20 0.00 0.00 173.24 174.71 1i6g n ASP 53 N 5.20 3.79 -3.54 5.45 5.75 -1.26 -3.94 116.55 127.99 1i6g n ASP 53 Ca -0.03 -2.56 -0.15 0.00 -0.01 0.00 0.00 54.79 52.04 1i6g n ASP 53 Cb 0.50 -0.70 -0.05 0.00 -1.03 0.00 0.00 41.12 39.84 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 0.40 -0.51 0.00 -1.12 1.04 -1.26 -5.01 113.70 107.23 1i6g s SER 54 Ca 0.18 0.31 0.21 0.00 0.48 0.00 0.00 55.95 57.14 1i6g s SER 54 Cb 0.15 0.51 1.16 0.00 0.10 0.00 0.00 66.02 67.94 1i6g s SER 54 CO 0.03 -0.71 1.68 0.00 0.98 0.00 0.00 173.24 175.22 1i6g n ALA 55 N 0.49 2.18 -2.08 5.32 0.00 -1.26 -4.74 120.51 120.42 1i6g n ALA 55 Ca -0.18 -0.11 -0.38 0.00 0.00 0.00 0.00 53.44 52.76 1i6g n ALA 55 Cb 0.60 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 1i6g n ALA 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i6g s THR 56 N -2.36 4.50 0.35 0.00 2.01 -1.26 -5.06 115.64 113.82 1i6g s THR 56 Ca 0.25 1.48 -0.11 0.00 0.31 0.00 0.00 61.69 63.61 1i6g s THR 56 Cb 0.15 -4.00 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 1i6g s THR 56 CO 0.30 0.43 0.71 0.54 -0.69 0.00 0.00 174.62 175.91 1i6g s ASN 57 N -1.30 6.61 -0.38 3.53 2.20 -1.26 -4.99 114.94 119.34 1i6g s ASN 57 Ca 0.37 1.12 0.12 0.00 -0.94 0.00 0.00 52.86 53.52 1i6g s ASN 57 Cb -0.20 -2.31 0.43 0.00 -2.00 0.00 0.00 41.25 37.16 1i6g s ASN 57 CO 0.23 -0.28 0.99 0.00 -2.94 0.00 0.00 177.10 175.10 1i6g n ILE 58 N -0.81 1.51 -0.97 0.54 3.06 -1.26 -4.90 119.36 116.53 1i6g n ILE 58 Ca 0.02 -4.02 -0.18 0.00 -2.50 0.00 0.00 62.75 56.07 1i6g n ILE 58 Cb 0.53 -0.24 0.02 0.00 0.54 0.00 0.00 39.64 40.50 1i6g n ILE 58 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05