#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 2.48 0.00 -5.58 1.01 -1.26 0.20 116.67 113.52 1i6g s ASP 2 Ca 0.00 -0.98 0.00 0.00 0.71 0.00 0.00 52.55 52.28 1i6g s ASP 2 Cb 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 42.92 43.81 1i6g s ASP 2 CO 0.00 -0.16 0.00 0.61 0.21 0.00 0.00 175.17 175.83 1i6g n GLY 3 N -0.20 -1.39 3.49 0.21 0.00 -1.04 -4.98 105.19 101.28 1i6g n GLY 3 Ca -0.09 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.96 3.12 0.33 1.61 1.51 -1.26 -2.10 117.35 117.60 1i6g s TYR 4 Ca 0.00 -0.27 -0.28 0.00 -1.01 0.00 0.00 57.07 55.51 1i6g s TYR 4 Cb 0.00 -2.28 -0.10 0.00 -0.11 0.00 0.00 41.96 39.47 1i6g s TYR 4 CO 0.00 -0.30 1.20 -1.25 -1.11 0.00 0.00 175.55 174.09 1i6g s PRO 5 N 1.66 4.40 0.45 -1.71 0.04 -1.25 0.11 135.00 138.70 1i6g s PRO 5 Ca 0.07 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.15 1i6g s PRO 5 Cb -0.15 -3.04 0.05 0.00 0.04 0.00 0.00 34.50 31.40 1i6g s PRO 5 CO 0.06 -0.07 0.41 1.33 0.04 0.00 0.00 177.00 178.77 1i6g n VAL 6 N 0.80 0.00 -2.79 -0.36 0.24 -0.20 -1.99 118.33 114.03 1i6g n VAL 6 Ca 0.00 -1.71 0.00 0.00 -2.04 0.00 0.00 64.34 60.59 1i6g n VAL 6 Cb 0.44 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1i6g n VAL 6 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1i6g n ASP 7 N -2.00 0.68 0.31 -1.34 5.68 -0.58 -4.82 116.55 114.48 1i6g n ASP 7 Ca 0.02 -0.45 0.21 0.00 -0.50 0.00 0.00 54.79 54.06 1i6g n ASP 7 Cb 0.50 0.00 1.12 0.00 -1.14 0.00 0.00 41.12 41.60 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 0.26 -1.12 4.64 -2.01 -1.00 113.55 114.32 1i6g h SER 8 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i6g h SER 8 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1i6g h SER 8 CO 0.00 0.00 -1.59 1.17 -0.87 0.00 0.00 176.83 175.54 1i6g n LYS 9 N -2.95 0.55 0.00 4.77 4.81 -1.26 -4.96 118.16 119.12 1i6g n LYS 9 Ca -0.03 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1i6g n LYS 9 Cb 0.08 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 33.54 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 1.28 1.00 3.87 3.14 0.00 -0.38 -5.07 105.19 109.03 1i6g n GLY 10 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 1.01 1.43 -2.62 0.00 5.02 -1.26 -1.52 118.16 120.22 1i6g n LYS 12 Ca -0.09 0.52 -0.43 0.00 -2.02 0.00 0.00 58.31 56.29 1i6g n LYS 12 Cb 0.52 -2.28 -0.02 0.00 -0.02 0.00 0.00 35.03 33.23 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 -1.90 3.99 -0.43 -0.35 2.96 -0.84 -4.80 118.68 117.30 1i6g s LEU 13 Ca 0.68 1.20 -0.28 0.00 -0.22 0.00 0.00 54.13 55.52 1i6g s LEU 13 Cb -0.47 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.65 1i6g s LEU 13 CO 0.52 -0.82 1.91 -0.44 -1.32 0.00 0.00 176.35 176.20 1i6g s SER 14 N 1.61 5.51 0.23 3.68 0.01 -1.26 -1.56 113.70 121.92 1i6g s SER 14 Ca 0.46 1.00 -0.03 0.00 1.31 0.00 0.00 55.95 58.70 1i6g s SER 14 Cb -0.14 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 1i6g s SER 14 CO 0.13 -2.06 0.46 0.00 0.41 0.00 0.00 173.24 172.18 1i6g n VAL 16 N -0.66 0.00 -3.49 0.00 3.14 -1.26 -4.47 118.33 111.60 1i6g n VAL 16 Ca -0.03 -0.30 -0.14 0.00 -2.96 0.00 0.00 64.34 60.90 1i6g n VAL 16 Cb 0.53 1.14 -0.04 0.00 -1.06 0.00 0.00 33.84 34.42 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 -0.38 -1.60 0.05 1.55 0.00 -1.26 -5.06 121.76 115.06 1i6g s ALA 17 Ca 0.00 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 52.52 1i6g s ALA 17 Cb 0.00 0.50 -0.14 0.00 0.00 0.00 0.00 23.12 23.48 1i6g s ALA 17 CO 0.00 -0.59 1.47 -0.91 0.00 0.00 0.00 175.76 175.74 1i6g h ASN 18 N 2.48 0.21 -0.73 0.00 2.35 -1.91 -3.03 115.58 114.96 1i6g h ASN 18 Ca -0.31 -0.31 0.15 0.00 -0.55 0.00 0.00 56.30 55.28 1i6g h ASN 18 Cb 1.23 -0.06 -0.10 0.00 0.05 0.00 0.00 38.32 39.44 1i6g h ASN 18 CO 0.39 0.47 0.20 -0.55 -1.65 0.00 0.00 177.43 176.29 1i6g h ASN 19 N -0.06 0.07 0.43 5.81 -1.07 -1.97 0.51 115.58 119.30 1i6g h ASN 19 Ca 0.03 0.14 -0.01 0.00 0.07 0.00 0.00 56.30 56.53 1i6g h ASN 19 Cb 0.36 0.17 -0.02 0.00 -2.07 0.00 0.00 38.32 36.76 1i6g h ASN 19 CO 0.01 -0.00 -0.44 0.22 0.07 0.00 0.00 177.43 177.28 1i6g h TYR 20 N 0.31 -1.23 -0.41 4.14 3.20 -1.92 -1.58 116.97 119.48 1i6g h TYR 20 Ca 0.41 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.30 1i6g h TYR 20 Cb 0.68 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 1i6g h TYR 20 CO -0.24 -0.59 0.25 0.00 -1.64 0.00 0.00 178.16 175.95 1i6g h ASP 22 N 0.52 0.16 -0.06 0.00 1.82 0.42 0.26 116.42 119.53 1i6g h ASP 22 Ca 0.16 0.17 -0.03 0.00 -0.39 0.00 0.00 57.03 56.94 1i6g h ASP 22 Cb -0.02 0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.18 1i6g h ASP 22 CO -0.06 -0.07 -0.08 -1.13 -1.61 0.00 0.00 179.24 176.29 1i6g h ASN 23 N 0.30 0.18 0.52 2.28 -0.73 -0.75 -2.58 115.58 114.81 1i6g h ASN 23 Ca 0.54 -0.52 -0.02 0.00 1.87 0.00 0.00 56.30 58.17 1i6g h ASN 23 Cb 1.04 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 39.57 1i6g h ASN 23 CO -0.58 0.66 -0.35 -0.61 -0.37 0.00 0.00 177.43 176.19 1i6g h GLN 24 N -0.29 -0.79 -0.75 6.67 5.75 -0.38 -2.54 115.11 122.77 1i6g h GLN 24 Ca 0.01 0.05 0.13 0.00 -0.15 0.00 0.00 58.65 58.69 1i6g h GLN 24 Cb 0.62 0.18 -0.13 0.00 1.07 0.00 0.00 27.48 29.21 1i6g h GLN 24 CO 0.02 -0.53 -0.34 0.00 -2.65 0.00 0.00 178.83 175.33 1i6g h LYS 26 N -0.09 -0.20 -1.28 0.00 1.63 -1.25 0.88 116.57 116.27 1i6g h LYS 26 Ca 0.29 0.01 0.37 0.00 -0.85 0.00 0.00 60.65 60.47 1i6g h LYS 26 Cb 0.57 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.18 1i6g h LYS 26 CO -0.80 -0.13 0.90 0.52 -3.45 0.00 0.00 179.45 176.49 1i6g h MET 27 N -0.20 0.06 -1.64 1.90 2.86 -0.75 0.14 114.93 117.30 1i6g h MET 27 Ca 0.08 -0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 57.31 1i6g h MET 27 Cb 0.41 -0.01 -0.16 0.00 0.06 0.00 0.00 31.60 31.89 1i6g h MET 27 CO -0.55 0.04 0.44 1.63 1.06 0.00 0.00 176.91 179.53 1i6g n LYS 28 N -4.25 2.06 -2.12 1.72 5.02 0.30 -4.80 118.16 116.09 1i6g n LYS 28 Ca 0.29 -1.95 -0.04 0.00 -2.02 0.00 0.00 58.31 54.59 1i6g n LYS 28 Cb 1.30 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 34.47 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 0.43 -2.31 -2.09 1.97 4.81 0.50 -4.19 118.16 117.28 1i6g n LYS 29 Ca 0.39 0.21 -0.14 0.00 -0.87 0.00 0.00 58.31 57.90 1i6g n LYS 29 Cb 0.57 -4.62 0.06 0.00 0.02 0.00 0.00 35.03 31.06 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 -1.91 0.45 0.00 3.14 0.00 -0.72 -4.30 120.51 117.16 1i6g n ALA 30 Ca -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.06 1i6g n ALA 30 Cb 0.43 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.17 1i6g n ALA 30 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i6g n SER 31 N -2.76 0.12 -4.21 0.00 2.88 -0.33 -4.40 113.62 104.93 1i6g n SER 31 Ca 0.11 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.23 1i6g n SER 31 Cb 0.39 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.80 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 -2.43 2.65 -0.35 0.46 0.00 -0.90 -4.84 107.32 101.92 1i6g s GLY 32 Ca 0.00 -3.36 -0.09 0.00 0.00 0.00 0.00 44.72 41.27 1i6g s GLY 32 CO 0.00 1.19 0.15 -0.32 0.00 0.00 0.00 173.10 174.11 1i6g s GLY 33 N 1.29 1.87 0.12 0.20 0.00 -1.26 -0.45 107.32 109.09 1i6g s GLY 33 Ca 0.19 -1.67 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 1i6g s GLY 33 CO -0.07 0.78 0.07 -2.38 0.00 0.00 0.00 173.10 171.50 1i6g s HIS 34 N 1.49 0.73 -0.40 1.90 -3.43 -1.00 -2.30 115.29 112.28 1i6g s HIS 34 Ca 0.01 -1.13 -0.15 0.00 -0.80 0.00 0.00 55.06 52.99 1i6g s HIS 34 Cb -0.19 -0.40 0.01 0.00 -1.43 0.00 0.00 32.58 30.57 1i6g s HIS 34 CO 0.05 -0.52 0.29 0.00 -2.00 0.00 0.00 174.74 172.56 1i6g s TYR 36 N 1.69 2.74 -1.32 0.00 6.14 -0.23 -4.70 117.35 121.67 1i6g s TYR 36 Ca 0.05 -1.48 -0.05 0.00 0.64 0.00 0.00 57.07 56.24 1i6g s TYR 36 Cb -0.19 -1.88 0.02 0.00 0.42 0.00 0.00 41.96 40.32 1i6g s TYR 36 CO 0.10 -0.71 0.99 0.00 0.64 0.00 0.00 175.55 176.58 1i6g n ALA 37 N 4.38 -1.70 -1.09 3.97 0.00 -1.26 -0.83 120.51 123.99 1i6g n ALA 37 Ca -0.20 0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 1i6g n ALA 37 Cb 0.51 -3.55 -0.02 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 -4.50 -1.89 -5.11 0.00 2.81 -1.26 -4.93 117.12 102.23 1i6g n MET 38 Ca -0.15 0.62 -0.32 0.00 -1.81 0.00 0.00 57.70 56.04 1i6g n MET 38 Cb 0.62 -5.04 -0.16 0.00 -0.71 0.00 0.00 33.22 27.94 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 -2.08 3.39 0.30 7.83 0.01 -0.01 -1.25 113.70 121.90 1i6g s SER 39 Ca 0.00 -0.44 -0.27 0.00 1.31 0.00 0.00 55.95 56.55 1i6g s SER 39 Cb 0.00 -1.10 -0.09 0.00 0.21 0.00 0.00 66.02 65.04 1i6g s SER 39 CO 0.00 0.23 0.98 0.00 0.41 0.00 0.00 173.24 174.86 1i6g s TYR 41 N -1.44 -0.15 -0.08 0.00 6.14 -0.94 -3.89 117.35 116.98 1i6g s TYR 41 Ca 0.48 0.52 -0.00 0.00 0.64 0.00 0.00 57.07 58.71 1i6g s TYR 41 Cb -0.23 -0.21 -0.03 0.00 0.42 0.00 0.00 41.96 41.91 1i6g s TYR 41 CO 0.29 -0.22 -0.05 0.00 0.64 0.00 0.00 175.55 176.21 1i6g s GLU 43 N -0.72 2.65 0.00 0.00 2.12 0.41 -2.49 118.70 120.66 1i6g s GLU 43 Ca 0.11 -1.25 0.00 0.00 0.36 0.00 0.00 54.97 54.19 1i6g s GLU 43 Cb -0.11 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.65 1i6g s GLU 43 CO 0.02 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.38 1i6g n GLY 44 N 4.89 1.54 3.50 -1.50 0.00 -0.47 -1.18 105.19 111.97 1i6g n GLY 44 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 0.26 -4.77 0.99 4.77 0.53 -4.11 117.00 114.67 1i6g n LEU 45 Ca 0.00 0.12 -0.38 0.00 -0.03 0.00 0.00 56.01 55.73 1i6g n LEU 45 Cb 0.00 -1.28 -0.03 0.00 -2.33 0.00 0.00 43.42 39.78 1i6g n LEU 45 CO 0.00 -2.94 0.79 -2.16 -1.33 0.00 0.00 177.39 171.75 1i6g s PRO 46 N -4.21 4.13 0.66 3.23 0.04 -1.26 -0.02 135.00 137.57 1i6g s PRO 46 Ca 0.64 1.68 0.22 0.00 0.04 0.00 0.00 61.00 63.58 1i6g s PRO 46 Cb -0.22 -2.64 1.22 0.00 0.04 0.00 0.00 34.50 32.90 1i6g s PRO 46 CO 0.63 -0.21 1.69 1.49 0.04 0.00 0.00 177.00 180.64 1i6g h GLU 47 N 2.63 0.00 -0.45 4.56 4.81 -1.92 0.67 114.58 124.89 1i6g h GLU 47 Ca -0.48 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 1i6g h GLU 47 Cb 1.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1i6g h GLU 47 CO 0.63 0.00 0.03 0.27 -0.73 0.00 0.00 179.01 179.21 1i6g n ASN 48 N -2.80 4.70 -4.72 1.04 6.94 -1.26 -5.00 115.26 114.16 1i6g n ASN 48 Ca -0.01 -3.04 -0.32 0.00 -0.02 0.00 0.00 54.58 51.18 1i6g n ASN 48 Cb 0.54 -0.63 0.12 0.00 -2.36 0.00 0.00 39.78 37.45 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 -2.85 1.92 -1.02 -2.53 0.00 0.23 -4.94 121.76 112.58 1i6g s ALA 49 Ca 0.49 0.62 -0.05 0.00 0.00 0.00 0.00 51.96 53.02 1i6g s ALA 49 Cb 0.39 -3.41 0.27 0.00 0.00 0.00 0.00 23.12 20.36 1i6g s ALA 49 CO 0.12 -2.15 1.09 1.17 0.00 0.00 0.00 175.76 175.98 1i6g n LYS 50 N -3.45 3.44 -4.42 0.00 4.81 -1.26 -5.02 118.16 112.26 1i6g n LYS 50 Ca 0.12 -4.50 -0.26 0.00 -0.87 0.00 0.00 58.31 52.80 1i6g n LYS 50 Cb 0.52 -2.48 -0.09 0.00 0.02 0.00 0.00 35.03 32.99 1i6g n LYS 50 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1i6g s VAL 51 N -1.76 2.34 0.68 3.15 -7.23 -1.26 -1.03 120.40 115.30 1i6g s VAL 51 Ca 0.31 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1i6g s VAL 51 Cb -0.04 -2.84 0.09 0.00 0.56 0.00 0.00 36.38 34.15 1i6g s VAL 51 CO -0.05 -0.12 0.95 -0.55 -0.31 0.00 0.00 175.10 175.02 1i6g s SER 52 N -3.72 4.64 -0.20 4.85 0.15 0.12 -4.86 113.70 114.68 1i6g s SER 52 Ca 0.35 -0.10 0.12 0.00 0.70 0.00 0.00 55.95 57.02 1i6g s SER 52 Cb 0.03 -0.46 0.41 0.00 -1.71 0.00 0.00 66.02 64.29 1i6g s SER 52 CO 0.19 -1.64 1.21 -0.90 1.20 0.00 0.00 173.24 173.30 1i6g n ASP 53 N -2.74 1.78 -3.90 5.45 5.68 -1.26 -4.07 116.55 117.48 1i6g n ASP 53 Ca 0.12 -3.82 -0.08 0.00 -0.50 0.00 0.00 54.79 50.51 1i6g n ASP 53 Cb 0.60 -0.52 -0.03 0.00 -1.14 0.00 0.00 41.12 40.03 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 -3.20 -0.18 -0.04 -1.12 1.04 -1.26 -5.02 113.70 103.91 1i6g s SER 54 Ca 0.37 -0.75 0.07 0.00 0.48 0.00 0.00 55.95 56.12 1i6g s SER 54 Cb 0.36 0.68 0.27 0.00 0.10 0.00 0.00 66.02 67.42 1i6g s SER 54 CO -0.06 -1.27 1.07 0.00 0.98 0.00 0.00 173.24 173.96 1i6g n ALA 55 N -0.43 2.74 -3.30 5.32 0.00 -1.26 -4.81 120.51 118.76 1i6g n ALA 55 Ca -0.03 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 1i6g n ALA 55 Cb 0.60 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 1i6g n ALA 55 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i6g s THR 56 N -1.64 0.00 0.51 0.00 -4.23 -1.26 -5.11 115.64 103.90 1i6g s THR 56 Ca 0.19 -0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.72 1i6g s THR 56 Cb 0.12 -0.57 0.02 0.00 1.34 0.00 0.00 72.50 73.41 1i6g s THR 56 CO 0.09 -0.00 0.16 -0.46 -0.54 0.00 0.00 174.62 173.87 1i6g n ASN 57 N 2.86 3.09 -3.48 3.99 0.23 -1.26 -4.97 115.26 115.72 1i6g n ASN 57 Ca -0.13 -3.02 -0.37 0.00 -0.53 0.00 0.00 54.58 50.53 1i6g n ASN 57 Cb 0.57 0.19 0.00 0.00 -2.08 0.00 0.00 39.78 38.46 1i6g n ASN 57 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1i6g n ILE 58 N -1.43 5.26 -1.88 1.53 2.08 -1.26 -5.03 119.36 118.62 1i6g n ILE 58 Ca -0.13 -5.87 -0.29 0.00 0.56 0.00 0.00 62.75 57.02 1i6g n ILE 58 Cb 0.61 -1.55 0.10 0.00 -0.75 0.00 0.00 39.64 38.05 1i6g n ILE 58 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11