#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 5.76 0.00 -5.58 1.01 -1.26 0.19 116.67 116.78 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 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 42.20 1i6g s ASP 2 CO 0.00 0.38 0.00 0.61 0.21 0.00 0.00 175.17 176.37 1i6g n GLY 3 N 1.95 -1.16 3.67 0.21 0.00 -1.06 -4.95 105.19 103.85 1i6g n GLY 3 Ca -0.18 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 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 3.24 0.24 1.61 1.51 -1.26 -2.26 117.35 117.43 1i6g s TYR 4 Ca 0.00 0.13 -0.30 0.00 -1.01 0.00 0.00 57.07 55.90 1i6g s TYR 4 Cb 0.00 -1.94 -0.09 0.00 -0.11 0.00 0.00 41.96 39.82 1i6g s TYR 4 CO 0.00 0.33 1.09 -1.25 -1.11 0.00 0.00 175.55 174.61 1i6g s PRO 5 N -0.28 4.63 0.44 -1.71 0.04 -1.26 -1.86 135.00 135.02 1i6g s PRO 5 Ca 0.07 1.76 0.03 0.00 0.04 0.00 0.00 61.00 62.91 1i6g s PRO 5 Cb -0.12 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1i6g s PRO 5 CO 0.02 0.17 0.05 0.14 0.04 0.00 0.00 177.00 177.42 1i6g s VAL 6 N -0.81 1.14 0.07 -0.36 -7.23 -0.86 -2.31 120.40 110.03 1i6g s VAL 6 Ca 0.46 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1i6g s VAL 6 Cb -0.31 -2.42 0.01 0.00 0.56 0.00 0.00 36.38 34.22 1i6g s VAL 6 CO 0.38 0.00 0.09 -0.90 -0.31 0.00 0.00 175.10 174.36 1i6g n ASP 7 N -1.16 0.39 0.07 4.85 5.68 -0.89 -4.87 116.55 120.62 1i6g n ASP 7 Ca -0.11 -1.19 0.05 0.00 -0.50 0.00 0.00 54.79 53.04 1i6g n ASP 7 Cb 0.66 -0.04 0.26 0.00 -1.14 0.00 0.00 41.12 40.86 1i6g n ASP 7 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1i6g n SER 8 N -2.78 0.24 -0.01 -1.12 3.41 -1.26 -1.33 113.62 110.77 1i6g n SER 8 Ca 0.02 0.60 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 1i6g n SER 8 Cb 0.07 -0.64 -0.14 0.00 -0.26 0.00 0.00 64.21 63.24 1i6g n SER 8 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i6g n LYS 9 N -1.81 0.66 0.00 4.33 4.81 -1.26 -4.97 118.16 119.91 1i6g n LYS 9 Ca -0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1i6g n LYS 9 Cb 0.03 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.51 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 1.34 0.75 3.76 3.14 0.00 -0.44 -4.96 105.19 108.77 1i6g n GLY 10 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.43 3.84 -0.56 0.00 1.02 -1.26 -2.09 119.74 119.25 1i6g s LYS 12 Ca 0.44 1.94 -0.28 0.00 0.02 0.00 0.00 55.97 58.09 1i6g s LYS 12 Cb -0.24 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.53 1i6g s LYS 12 CO 0.30 -0.53 1.21 -1.17 -0.92 0.00 0.00 175.35 174.23 1i6g s LEU 13 N -2.75 3.47 -0.03 3.17 2.96 -0.98 -4.91 118.68 119.61 1i6g s LEU 13 Ca 0.61 0.17 -0.38 0.00 -0.22 0.00 0.00 54.13 54.31 1i6g s LEU 13 Cb -0.33 -3.21 -0.16 0.00 0.50 0.00 0.00 46.19 42.99 1i6g s LEU 13 CO 0.41 -1.47 1.47 -1.20 -1.32 0.00 0.00 176.35 174.24 1i6g n SER 14 N 8.46 1.87 -4.64 3.68 7.64 -1.26 -1.63 113.62 127.74 1i6g n SER 14 Ca 0.09 1.10 -0.31 0.00 1.01 0.00 0.00 58.87 60.77 1i6g n SER 14 Cb 0.49 -1.17 -0.09 0.00 -1.01 0.00 0.00 64.21 62.43 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 1.08 0.00 -4.37 0.00 3.14 -1.26 -4.58 118.33 112.34 1i6g n VAL 16 Ca -0.13 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.00 1i6g n VAL 16 Cb 0.52 -0.15 -0.17 0.00 -1.06 0.00 0.00 33.84 32.99 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 -1.29 1.21 0.59 1.55 0.00 -1.26 -5.00 121.76 117.56 1i6g s ALA 17 Ca 0.00 -0.40 0.29 0.00 0.00 0.00 0.00 51.96 51.85 1i6g s ALA 17 Cb 0.00 -0.63 1.70 0.00 0.00 0.00 0.00 23.12 24.18 1i6g s ALA 17 CO 0.00 -0.03 2.13 -0.91 0.00 0.00 0.00 175.76 176.95 1i6g h ASN 18 N 7.29 0.00 0.59 0.00 2.35 -1.94 0.44 115.58 124.30 1i6g h ASN 18 Ca -0.31 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.30 1i6g h ASN 18 Cb 1.17 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 1i6g h ASN 18 CO 0.46 0.00 -0.63 -0.55 -1.65 0.00 0.00 177.43 175.05 1i6g h ASN 19 N 0.00 0.05 -0.11 5.81 -1.07 -1.94 -1.47 115.58 116.84 1i6g h ASN 19 Ca 0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 56.30 56.40 1i6g h ASN 19 Cb 0.41 -0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 36.64 1i6g h ASN 19 CO -0.00 0.67 0.05 0.22 0.07 0.00 0.00 177.43 178.44 1i6g h TYR 20 N 0.03 0.17 -0.21 4.14 5.03 -1.29 -2.51 116.97 122.33 1i6g h TYR 20 Ca -0.01 -0.01 -0.16 0.00 2.58 0.00 0.00 58.73 61.13 1i6g h TYR 20 Cb 1.13 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.36 1i6g h TYR 20 CO 0.00 0.27 -0.51 0.00 -1.32 0.00 0.00 178.16 176.60 1i6g h ASP 22 N 0.43 0.67 0.11 0.00 3.58 -0.73 0.57 116.42 121.04 1i6g h ASP 22 Ca -0.00 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1i6g h ASP 22 Cb 1.12 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1i6g h ASP 22 CO 0.11 0.14 -0.05 -1.13 -2.88 0.00 0.00 179.24 175.43 1i6g h ASN 23 N 0.60 -0.12 -0.00 2.28 -1.24 -1.37 -2.35 115.58 113.37 1i6g h ASN 23 Ca 0.62 -0.29 0.03 0.00 0.71 0.00 0.00 56.30 57.37 1i6g h ASN 23 Cb 1.18 0.03 -0.05 0.00 0.73 0.00 0.00 38.32 40.21 1i6g h ASN 23 CO -0.43 0.48 -0.35 -0.61 -1.29 0.00 0.00 177.43 175.23 1i6g h GLN 24 N -0.98 -0.48 -0.10 6.67 5.75 -0.93 0.03 115.11 125.06 1i6g h GLN 24 Ca -0.01 0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 1i6g h GLN 24 Cb 0.41 0.11 -0.06 0.00 1.07 0.00 0.00 27.48 29.01 1i6g h GLN 24 CO 0.02 -0.32 -0.33 0.00 -2.65 0.00 0.00 178.83 175.55 1i6g h LYS 26 N -0.43 0.44 0.00 0.00 1.63 -0.84 0.96 116.57 118.33 1i6g h LYS 26 Ca 0.09 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.81 1i6g h LYS 26 Cb 0.56 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1i6g h LYS 26 CO -0.34 0.29 -0.22 0.52 -3.45 0.00 0.00 179.45 176.26 1i6g h MET 27 N 0.45 0.00 -0.87 1.90 2.86 0.97 -2.11 114.93 118.13 1i6g h MET 27 Ca 0.57 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 58.13 1i6g h MET 27 Cb 1.07 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.68 1i6g h MET 27 CO -0.51 0.22 0.10 1.63 1.06 0.00 0.00 176.91 179.41 1i6g n LYS 28 N -3.74 2.39 -1.39 1.72 4.76 0.32 -4.82 118.16 117.40 1i6g n LYS 28 Ca -0.01 -1.43 -0.13 0.00 -2.87 0.00 0.00 58.31 53.86 1i6g n LYS 28 Cb 0.33 -1.75 -0.06 0.00 -1.84 0.00 0.00 35.03 31.71 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 0.10 -1.02 -2.50 1.97 0.00 -0.79 -3.56 118.16 112.35 1i6g n LYS 29 Ca 0.18 0.96 -0.25 0.00 0.00 0.00 0.00 58.31 59.20 1i6g n LYS 29 Cb 0.81 -5.07 0.04 0.00 0.00 0.00 0.00 35.03 30.81 1i6g n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1i6g s ALA 30 N -2.45 3.44 -0.02 3.14 0.00 -0.58 -4.53 121.76 120.76 1i6g s ALA 30 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1i6g s ALA 30 Cb 0.00 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 1i6g s ALA 30 CO 0.00 -0.81 0.03 -1.13 0.00 0.00 0.00 175.76 173.85 1i6g n SER 31 N -2.52 4.38 -3.90 0.00 3.41 0.32 -4.24 113.62 111.07 1i6g n SER 31 Ca 0.05 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.37 1i6g n SER 31 Cb 0.58 0.75 -0.13 0.00 -0.26 0.00 0.00 64.21 65.15 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 -2.98 2.44 -0.30 5.00 0.00 -0.97 -4.84 107.32 105.67 1i6g s GLY 32 Ca -0.01 -3.30 -0.09 0.00 0.00 0.00 0.00 44.72 41.32 1i6g s GLY 32 CO 0.11 1.11 0.13 -0.32 0.00 0.00 0.00 173.10 174.12 1i6g s GLY 33 N -0.47 1.84 0.30 0.20 0.00 -1.26 0.11 107.32 108.05 1i6g s GLY 33 Ca 0.19 -1.38 -0.09 0.00 0.00 0.00 0.00 44.72 43.43 1i6g s GLY 33 CO -0.04 0.67 0.52 -2.38 0.00 0.00 0.00 173.10 171.87 1i6g s HIS 34 N 1.58 0.60 -0.17 1.90 -3.43 0.14 -2.14 115.29 113.77 1i6g s HIS 34 Ca 0.04 -0.96 -0.06 0.00 -0.80 0.00 0.00 55.06 53.28 1i6g s HIS 34 Cb -0.17 0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 31.12 1i6g s HIS 34 CO 0.05 -1.13 0.04 0.00 -2.00 0.00 0.00 174.74 171.70 1i6g s TYR 36 N 0.34 -0.19 -1.45 0.00 5.04 -0.28 -4.86 117.35 115.95 1i6g s TYR 36 Ca 0.01 0.47 -0.10 0.00 -2.44 0.00 0.00 57.07 55.01 1i6g s TYR 36 Cb -0.13 0.06 0.04 0.00 0.35 0.00 0.00 41.96 42.28 1i6g s TYR 36 CO 0.01 -0.09 0.96 0.00 -1.34 0.00 0.00 175.55 175.08 1i6g n ALA 37 N 3.00 -1.21 -1.44 3.97 0.00 -1.26 -0.61 120.51 122.96 1i6g n ALA 37 Ca -0.13 0.30 -0.15 0.00 0.00 0.00 0.00 53.44 53.46 1i6g n ALA 37 Cb 0.59 -4.70 -0.07 0.00 0.00 0.00 0.00 19.45 15.27 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 -4.63 -1.60 -4.47 0.00 2.81 -1.26 -4.94 117.12 103.03 1i6g n MET 38 Ca -0.01 1.03 -0.20 0.00 -1.81 0.00 0.00 57.70 56.71 1i6g n MET 38 Cb 0.56 -5.44 -0.15 0.00 -0.71 0.00 0.00 33.22 27.48 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 -2.55 1.31 0.73 7.83 0.01 0.22 -2.23 113.70 119.03 1i6g s SER 39 Ca 0.00 -0.20 -0.13 0.00 1.31 0.00 0.00 55.95 56.93 1i6g s SER 39 Cb 0.00 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.04 1i6g s SER 39 CO 0.00 0.11 1.10 0.00 0.41 0.00 0.00 173.24 174.87 1i6g s TYR 41 N -2.63 -0.73 0.02 0.00 6.14 -0.38 -4.00 117.35 115.77 1i6g s TYR 41 Ca 0.64 1.78 0.05 0.00 0.64 0.00 0.00 57.07 60.18 1i6g s TYR 41 Cb -0.19 0.25 -0.02 0.00 0.42 0.00 0.00 41.96 42.42 1i6g s TYR 41 CO 0.50 -0.35 -0.16 0.00 0.64 0.00 0.00 175.55 176.18 1i6g s GLU 43 N -0.91 2.72 0.00 0.00 -6.30 0.30 -2.57 118.70 111.95 1i6g s GLU 43 Ca 0.04 -1.66 0.00 0.00 -2.50 0.00 0.00 54.97 50.85 1i6g s GLU 43 Cb -0.07 -4.06 0.00 0.00 0.00 0.00 0.00 34.13 30.00 1i6g s GLU 43 CO 0.01 -1.19 0.00 0.41 0.02 0.00 0.00 175.26 174.51 1i6g n GLY 44 N 5.06 1.97 3.38 -1.50 0.00 -1.04 0.12 105.19 113.17 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 -1.31 -4.78 0.99 4.77 0.51 -3.77 117.00 113.41 1i6g n LEU 45 Ca 0.00 -0.01 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 1i6g n LEU 45 Cb 0.00 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 39.94 1i6g n LEU 45 CO 0.00 -3.18 0.77 -2.16 -1.33 0.00 0.00 177.39 171.48 1i6g s PRO 46 N -3.80 4.13 0.50 3.23 0.04 -1.23 0.14 135.00 138.01 1i6g s PRO 46 Ca 0.60 1.62 0.32 0.00 0.04 0.00 0.00 61.00 63.58 1i6g s PRO 46 Cb -0.18 -2.60 1.73 0.00 0.04 0.00 0.00 34.50 33.49 1i6g s PRO 46 CO 0.66 -0.20 1.97 1.49 0.04 0.00 0.00 177.00 180.96 1i6g h GLU 47 N 2.57 0.00 -0.53 4.56 4.57 -1.93 0.39 114.58 124.21 1i6g h GLU 47 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1i6g h GLU 47 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1i6g h GLU 47 CO 0.62 0.00 0.00 0.27 -1.18 0.00 0.00 179.01 178.72 1i6g n ASN 48 N -2.65 5.10 -4.89 1.04 0.23 -1.26 -4.97 115.26 107.85 1i6g n ASN 48 Ca -0.02 -2.80 -0.29 0.00 -0.53 0.00 0.00 54.58 50.94 1i6g n ASN 48 Cb 0.10 -0.62 -0.01 0.00 -2.08 0.00 0.00 39.78 37.17 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 -2.50 3.37 -0.43 -2.53 0.00 0.13 -5.04 121.76 114.75 1i6g s ALA 49 Ca 0.51 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 1i6g s ALA 49 Cb 0.37 -2.66 0.07 0.00 0.00 0.00 0.00 23.12 20.90 1i6g s ALA 49 CO 0.17 -0.21 0.31 0.21 0.00 0.00 0.00 175.76 176.23 1i6g s LYS 50 N -4.36 2.78 0.24 0.00 2.47 -1.26 -5.01 119.74 114.60 1i6g s LYS 50 Ca 0.49 -1.36 0.02 0.00 -1.56 0.00 0.00 55.97 53.56 1i6g s LYS 50 Cb -0.10 -3.91 -0.05 0.00 -1.46 0.00 0.00 37.83 32.30 1i6g s LYS 50 CO 0.39 -0.95 0.07 0.14 0.16 0.00 0.00 175.35 175.16 1i6g s VAL 51 N 1.53 0.64 -0.13 4.02 -7.23 -1.25 -2.03 120.40 115.94 1i6g s VAL 51 Ca 0.03 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.98 1i6g s VAL 51 Cb -0.23 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1i6g s VAL 51 CO 0.05 -0.14 0.67 -0.55 -0.31 0.00 0.00 175.10 174.82 1i6g s SER 52 N -3.28 6.85 -0.22 4.85 0.15 -0.78 -4.88 113.70 116.39 1i6g s SER 52 Ca 0.34 1.03 0.05 0.00 0.70 0.00 0.00 55.95 58.07 1i6g s SER 52 Cb 0.07 -2.38 0.45 0.00 -1.71 0.00 0.00 66.02 62.45 1i6g s SER 52 CO 0.11 -0.19 1.43 -0.90 1.20 0.00 0.00 173.24 174.90 1i6g n ASP 53 N 4.35 3.65 -3.65 5.45 5.75 -1.26 -4.16 116.55 126.69 1i6g n ASP 53 Ca -0.01 -2.80 -0.15 0.00 -0.01 0.00 0.00 54.79 51.82 1i6g n ASP 53 Cb 0.51 -0.67 -0.08 0.00 -1.03 0.00 0.00 41.12 39.85 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 -0.43 -0.54 -0.05 -1.12 1.04 -1.26 -5.02 113.70 106.33 1i6g s SER 54 Ca 0.34 0.81 0.07 0.00 0.48 0.00 0.00 55.95 57.66 1i6g s SER 54 Cb 0.28 0.81 0.29 0.00 0.10 0.00 0.00 66.02 67.50 1i6g s SER 54 CO 0.08 -0.37 1.10 0.00 0.98 0.00 0.00 173.24 175.03 1i6g n ALA 55 N 1.91 2.75 -3.39 5.32 0.00 -1.26 -4.42 120.51 121.42 1i6g n ALA 55 Ca -0.17 -0.63 -0.26 0.00 0.00 0.00 0.00 53.44 52.38 1i6g n ALA 55 Cb 0.56 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 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 0.30 -0.38 -4.60 0.00 -2.24 -1.26 -5.11 114.28 100.99 1i6g n THR 56 Ca 0.10 -3.95 -0.30 0.00 -2.27 0.00 0.00 64.05 57.63 1i6g n THR 56 Cb 0.43 -1.86 -0.08 0.00 -2.10 0.00 0.00 70.33 66.72 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 -0.76 4.10 -0.22 3.42 2.20 -1.26 -5.13 114.94 117.29 1i6g s ASN 57 Ca 0.33 -1.48 -0.00 0.00 -0.94 0.00 0.00 52.86 50.77 1i6g s ASN 57 Cb 0.08 0.11 0.06 0.00 -2.00 0.00 0.00 41.25 39.50 1i6g s ASN 57 CO -0.15 -0.70 -0.04 -0.63 -2.94 0.00 0.00 177.10 172.64 1i6g s ILE 58 N -2.79 1.29 -0.54 0.54 1.01 -1.26 -5.08 121.20 114.37 1i6g s ILE 58 Ca 0.21 -1.03 -0.28 0.00 0.00 0.00 0.00 60.65 59.54 1i6g s ILE 58 Cb 0.04 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.95 1i6g s ILE 58 CO 0.11 -0.09 1.20 0.00 0.00 0.00 0.00 174.94 176.15