#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 2.75 0.00 -5.58 1.01 -1.26 0.19 116.67 113.78 1i6g s ASP 2 Ca 0.00 -0.89 0.00 0.00 0.71 0.00 0.00 52.55 52.37 1i6g s ASP 2 Cb 0.00 -0.17 0.00 0.00 1.01 0.00 0.00 42.92 43.76 1i6g s ASP 2 CO 0.00 -0.04 0.00 0.61 0.21 0.00 0.00 175.17 175.95 1i6g n GLY 3 N 0.15 -0.95 3.63 0.21 0.00 -1.07 -4.98 105.19 102.18 1i6g n GLY 3 Ca -0.12 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 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 3.21 0.44 1.61 1.51 -1.26 -2.48 117.35 117.38 1i6g s TYR 4 Ca 0.00 0.05 -0.22 0.00 -1.01 0.00 0.00 57.07 55.89 1i6g s TYR 4 Cb 0.00 -1.99 -0.09 0.00 -0.11 0.00 0.00 41.96 39.77 1i6g s TYR 4 CO 0.00 0.21 1.06 -1.25 -1.11 0.00 0.00 175.55 174.46 1i6g s PRO 5 N 0.05 3.97 0.49 -1.71 0.04 -1.26 -1.26 135.00 135.32 1i6g s PRO 5 Ca 0.04 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.63 1i6g s PRO 5 Cb -0.12 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.09 1i6g s PRO 5 CO 0.01 -0.30 0.47 0.14 0.04 0.00 0.00 177.00 177.36 1i6g s VAL 6 N -1.78 2.22 0.03 -0.36 -7.23 -0.52 -1.83 120.40 110.93 1i6g s VAL 6 Ca 0.62 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 1i6g s VAL 6 Cb -0.20 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.19 1i6g s VAL 6 CO 0.25 0.00 0.02 -0.90 -0.31 0.00 0.00 175.10 174.16 1i6g n ASP 7 N -1.76 1.20 0.30 4.85 5.75 0.28 -4.76 116.55 122.40 1i6g n ASP 7 Ca 0.04 -1.09 0.20 0.00 -0.01 0.00 0.00 54.79 53.93 1i6g n ASP 7 Cb 0.62 0.00 1.06 0.00 -1.03 0.00 0.00 41.12 41.77 1i6g n ASP 7 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1i6g h SER 8 N 0.04 0.00 0.39 -1.12 4.64 -2.01 -1.60 113.55 113.89 1i6g h SER 8 Ca -0.02 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.15 1i6g h SER 8 Cb 0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1i6g h SER 8 CO 0.03 0.00 -1.74 1.17 -0.87 0.00 0.00 176.83 175.42 1i6g n LYS 9 N -2.89 0.64 0.00 4.77 4.81 -1.26 -4.97 118.16 119.27 1i6g n LYS 9 Ca -0.02 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1i6g n LYS 9 Cb 0.07 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.45 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 1.41 0.94 3.87 3.14 0.00 -0.60 -4.99 105.19 108.96 1i6g n GLY 10 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.02 1.66 -0.76 0.00 1.02 -1.26 -0.56 119.74 117.82 1i6g s LYS 12 Ca 0.35 1.71 -0.23 0.00 0.02 0.00 0.00 55.97 57.82 1i6g s LYS 12 Cb -0.14 -1.78 0.06 0.00 -0.52 0.00 0.00 37.83 35.45 1i6g s LYS 12 CO 0.19 -2.19 1.13 -1.17 -0.92 0.00 0.00 175.35 172.39 1i6g s LEU 13 N -5.73 4.02 0.17 3.17 2.96 -0.76 -4.76 118.68 117.74 1i6g s LEU 13 Ca 0.72 -1.03 -0.32 0.00 -0.22 0.00 0.00 54.13 53.28 1i6g s LEU 13 Cb -0.28 -2.47 -0.11 0.00 0.50 0.00 0.00 46.19 43.83 1i6g s LEU 13 CO 0.51 -1.51 1.67 -0.44 -1.32 0.00 0.00 176.35 175.25 1i6g s SER 14 N 3.85 6.49 0.24 3.68 0.01 -1.26 -1.11 113.70 125.59 1i6g s SER 14 Ca 0.30 2.72 0.00 0.00 1.31 0.00 0.00 55.95 60.28 1i6g s SER 14 Cb -0.11 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 1i6g s SER 14 CO 0.06 -0.91 0.01 0.00 0.41 0.00 0.00 173.24 172.82 1i6g n VAL 16 N -0.58 0.00 -3.55 0.00 3.14 -1.26 -4.45 118.33 111.62 1i6g n VAL 16 Ca -0.09 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.09 1i6g n VAL 16 Cb 0.31 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.07 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 -1.00 4.09 -0.19 1.55 0.00 -1.26 -4.98 121.76 119.98 1i6g s ALA 17 Ca 0.00 -1.65 -0.17 0.00 0.00 0.00 0.00 51.96 50.14 1i6g s ALA 17 Cb 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 23.12 21.64 1i6g s ALA 17 CO 0.00 -0.09 0.08 0.09 0.00 0.00 0.00 175.76 175.84 1i6g n ASN 18 N -1.55 1.84 -0.48 0.00 3.02 -1.26 -4.06 115.26 112.78 1i6g n ASN 18 Ca 0.01 0.49 0.43 0.00 -0.03 0.00 0.00 54.58 55.48 1i6g n ASN 18 Cb 0.60 -0.93 0.74 0.00 -0.61 0.00 0.00 39.78 39.57 1i6g n ASN 18 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1i6g h ASN 19 N -1.00 0.00 -0.03 6.41 7.08 -1.97 0.45 115.58 126.52 1i6g h ASN 19 Ca -0.24 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 52.98 1i6g h ASN 19 Cb 1.04 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.28 1i6g h ASN 19 CO -0.14 0.00 -0.01 0.22 -2.08 0.00 0.00 177.43 175.42 1i6g h TYR 20 N 0.00 0.06 -0.41 4.14 3.20 -1.95 -2.70 116.97 119.32 1i6g h TYR 20 Ca 0.72 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.43 1i6g h TYR 20 Cb 3.07 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 41.32 1i6g h TYR 20 CO 0.00 0.39 -0.33 0.00 -1.64 0.00 0.00 178.16 176.58 1i6g h ASP 22 N 0.78 -0.98 0.56 0.00 1.82 -0.18 0.31 116.42 118.73 1i6g h ASP 22 Ca 0.08 0.14 -0.03 0.00 -0.39 0.00 0.00 57.03 56.83 1i6g h ASP 22 Cb 0.92 0.41 0.01 0.00 0.68 0.00 0.00 39.33 41.34 1i6g h ASP 22 CO 0.09 -0.36 -0.27 -1.13 -1.61 0.00 0.00 179.24 175.95 1i6g h ASN 23 N -0.42 -0.64 -0.71 2.28 -1.24 -1.48 -2.68 115.58 110.69 1i6g h ASN 23 Ca 0.08 0.02 0.10 0.00 0.71 0.00 0.00 56.30 57.21 1i6g h ASN 23 Cb 0.55 0.16 -0.12 0.00 0.73 0.00 0.00 38.32 39.65 1i6g h ASN 23 CO -0.32 -0.25 -0.46 -0.61 -1.29 0.00 0.00 177.43 174.50 1i6g h GLN 24 N -1.17 -0.15 -0.40 6.67 5.75 -1.21 0.54 115.11 125.15 1i6g h GLN 24 Ca -0.08 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1i6g h GLN 24 Cb 0.58 0.03 -0.09 0.00 1.07 0.00 0.00 27.48 29.07 1i6g h GLN 24 CO 0.13 -0.10 -0.30 0.00 -2.65 0.00 0.00 178.83 175.90 1i6g h LYS 26 N -0.23 -0.21 -0.68 0.00 3.64 -0.56 1.77 116.57 120.29 1i6g h LYS 26 Ca 0.18 0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.77 1i6g h LYS 26 Cb 0.52 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 1i6g h LYS 26 CO -0.53 -0.14 0.63 0.52 -2.27 0.00 0.00 179.45 177.67 1i6g h MET 27 N -0.22 0.00 -1.14 1.90 2.86 -0.37 0.59 114.93 118.55 1i6g h MET 27 Ca 0.19 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.41 1i6g h MET 27 Cb 0.56 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.01 1i6g h MET 27 CO -0.65 0.00 0.54 1.63 1.06 0.00 0.00 176.91 179.48 1i6g n LYS 28 N -3.82 2.03 -3.94 1.72 4.76 0.60 -4.85 118.16 114.66 1i6g n LYS 28 Ca 0.14 -2.21 -0.31 0.00 -2.87 0.00 0.00 58.31 53.05 1i6g n LYS 28 Cb 0.88 -1.87 0.01 0.00 -1.84 0.00 0.00 35.03 32.21 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 -0.44 -4.51 -3.60 1.97 3.00 0.21 -4.34 118.16 110.45 1i6g n LYS 29 Ca 0.43 0.52 -0.21 0.00 -0.00 0.00 0.00 58.31 59.04 1i6g n LYS 29 Cb 0.98 -5.34 -0.03 0.00 0.00 0.00 0.00 35.03 30.64 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 -3.24 4.10 0.00 3.14 0.00 -0.87 -4.03 121.76 120.86 1i6g s ALA 30 Ca 0.66 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1i6g s ALA 30 Cb -0.34 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1i6g s ALA 30 CO 0.81 -0.27 0.00 -1.13 0.00 0.00 0.00 175.76 175.18 1i6g n SER 31 N -1.58 3.98 -3.77 0.00 3.41 0.37 -4.29 113.62 111.74 1i6g n SER 31 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.35 1i6g n SER 31 Cb 0.62 0.64 -0.13 0.00 -0.26 0.00 0.00 64.21 65.09 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 -1.97 1.99 -0.24 5.00 0.00 -0.25 -4.86 107.32 106.99 1i6g s GLY 32 Ca 0.00 -2.92 -0.10 0.00 0.00 0.00 0.00 44.72 41.71 1i6g s GLY 32 CO 0.00 1.40 0.13 -0.32 0.00 0.00 0.00 173.10 174.32 1i6g s GLY 33 N -0.08 1.91 0.03 0.20 0.00 -1.26 0.97 107.32 109.10 1i6g s GLY 33 Ca 0.20 -0.97 -0.23 0.00 0.00 0.00 0.00 44.72 43.72 1i6g s GLY 33 CO -0.04 0.44 0.53 -2.38 0.00 0.00 0.00 173.10 171.65 1i6g s HIS 34 N 1.25 -0.45 0.06 1.90 -3.43 0.28 -1.59 115.29 113.31 1i6g s HIS 34 Ca 0.06 0.56 -0.18 0.00 -0.80 0.00 0.00 55.06 54.70 1i6g s HIS 34 Cb -0.14 0.34 -0.06 0.00 -1.43 0.00 0.00 32.58 31.28 1i6g s HIS 34 CO 0.05 -0.63 0.54 0.00 -2.00 0.00 0.00 174.74 172.71 1i6g s TYR 36 N -1.10 -0.67 -1.87 0.00 5.04 -0.53 -4.89 117.35 113.34 1i6g s TYR 36 Ca 0.28 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.54 1i6g s TYR 36 Cb -0.19 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.35 1i6g s TYR 36 CO 0.18 -0.32 0.00 0.00 -1.34 0.00 0.00 175.55 174.07 1i6g n ALA 37 N 2.74 -0.56 -0.83 3.97 0.00 -1.26 -0.76 120.51 123.81 1i6g n ALA 37 Ca -0.14 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1i6g n ALA 37 Cb 0.56 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 -2.89 -0.03 -5.16 0.00 1.56 -1.26 -4.98 117.12 104.36 1i6g n MET 38 Ca -0.24 0.01 -0.32 0.00 -0.27 0.00 0.00 57.70 56.88 1i6g n MET 38 Cb 0.69 -3.24 -0.15 0.00 2.15 0.00 0.00 33.22 32.66 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 -2.62 3.36 0.64 6.12 0.01 0.06 0.45 113.70 121.73 1i6g s SER 39 Ca 0.00 -0.40 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 1i6g s SER 39 Cb 0.00 -0.66 -0.01 0.00 0.21 0.00 0.00 66.02 65.56 1i6g s SER 39 CO 0.00 0.30 1.12 0.00 0.41 0.00 0.00 173.24 175.07 1i6g s TYR 41 N -2.22 -0.34 -0.03 0.00 5.04 -0.33 -4.37 117.35 115.11 1i6g s TYR 41 Ca 0.68 0.80 0.07 0.00 -2.44 0.00 0.00 57.07 56.18 1i6g s TYR 41 Cb -0.22 0.09 -0.02 0.00 0.35 0.00 0.00 41.96 42.17 1i6g s TYR 41 CO 0.39 -0.21 -0.23 0.00 -1.34 0.00 0.00 175.55 174.16 1i6g s GLU 43 N -0.44 2.62 0.00 0.00 2.56 0.27 -2.60 118.70 121.11 1i6g s GLU 43 Ca 0.06 -1.24 0.00 0.00 0.00 0.00 0.00 54.97 53.79 1i6g s GLU 43 Cb -0.10 -3.55 0.00 0.00 2.00 0.00 0.00 34.13 32.48 1i6g s GLU 43 CO 0.00 -0.73 0.00 0.41 -0.56 0.00 0.00 175.26 174.38 1i6g n GLY 44 N 4.84 1.43 3.39 -1.50 0.00 -0.96 -0.48 105.19 111.92 1i6g n GLY 44 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.77 -4.80 0.99 4.77 0.51 -4.33 117.00 113.37 1i6g n LEU 45 Ca 0.00 0.13 -0.32 0.00 -0.03 0.00 0.00 56.01 55.79 1i6g n LEU 45 Cb 0.00 -1.15 0.03 0.00 -2.33 0.00 0.00 43.42 39.98 1i6g n LEU 45 CO 0.00 -3.29 0.71 -2.16 -1.33 0.00 0.00 177.39 171.32 1i6g s PRO 46 N -3.72 3.08 0.42 3.23 0.04 -1.26 0.01 135.00 136.81 1i6g s PRO 46 Ca 0.58 1.13 0.29 0.00 0.04 0.00 0.00 61.00 63.05 1i6g s PRO 46 Cb -0.18 -2.00 1.47 0.00 0.04 0.00 0.00 34.50 33.82 1i6g s PRO 46 CO 0.66 -1.00 1.89 1.49 0.04 0.00 0.00 177.00 180.08 1i6g h GLU 47 N -0.08 0.00 -0.24 4.56 4.81 -1.93 -2.00 114.58 119.70 1i6g h GLU 47 Ca -0.46 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1i6g h GLU 47 Cb 1.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1i6g h GLU 47 CO 0.57 0.00 -0.01 0.27 -0.73 0.00 0.00 179.01 179.10 1i6g n ASN 48 N -2.56 3.41 -4.81 1.04 6.94 -1.26 -5.02 115.26 112.99 1i6g n ASN 48 Ca -0.01 -3.17 -0.32 0.00 -0.02 0.00 0.00 54.58 51.06 1i6g n ASN 48 Cb 0.12 -0.55 0.03 0.00 -2.36 0.00 0.00 39.78 37.02 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 -2.92 2.69 -0.46 -2.53 0.00 -0.75 -5.00 121.76 112.79 1i6g s ALA 49 Ca 0.41 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 1i6g s ALA 49 Cb 0.35 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 20.31 1i6g s ALA 49 CO 0.06 -1.06 0.44 0.21 0.00 0.00 0.00 175.76 175.41 1i6g s LYS 50 N -4.61 3.03 0.20 0.00 2.47 -1.26 -5.01 119.74 114.56 1i6g s LYS 50 Ca 0.61 -1.07 -0.02 0.00 -1.56 0.00 0.00 55.97 53.93 1i6g s LYS 50 Cb -0.15 -4.07 -0.04 0.00 -1.46 0.00 0.00 37.83 32.12 1i6g s LYS 50 CO 0.47 -0.99 0.15 0.14 0.16 0.00 0.00 175.35 175.27 1i6g s VAL 51 N 1.97 0.01 0.82 4.02 -7.23 -1.25 -1.44 120.40 117.30 1i6g s VAL 51 Ca 0.08 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 1i6g s VAL 51 Cb -0.21 -2.46 0.14 0.00 0.56 0.00 0.00 36.38 34.41 1i6g s VAL 51 CO 0.10 -0.03 1.15 -0.55 -0.31 0.00 0.00 175.10 175.46 1i6g s SER 52 N -3.15 3.95 -0.06 4.85 0.15 -0.39 -4.89 113.70 114.17 1i6g s SER 52 Ca 0.37 0.17 0.09 0.00 0.70 0.00 0.00 55.95 57.28 1i6g s SER 52 Cb 0.07 -0.48 0.14 0.00 -1.71 0.00 0.00 66.02 64.04 1i6g s SER 52 CO 0.11 -2.17 1.03 -0.90 1.20 0.00 0.00 173.24 172.51 1i6g n ASP 53 N -3.28 1.60 -3.74 5.45 5.68 -1.26 -4.51 116.55 116.49 1i6g n ASP 53 Ca 0.13 -2.43 -0.14 0.00 -0.50 0.00 0.00 54.79 51.85 1i6g n ASP 53 Cb 0.60 -0.25 -0.09 0.00 -1.14 0.00 0.00 41.12 40.25 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 -1.81 -0.24 0.56 -1.12 1.04 -1.26 -5.02 113.70 105.85 1i6g s SER 54 Ca 0.15 0.21 0.29 0.00 0.48 0.00 0.00 55.95 57.08 1i6g s SER 54 Cb 0.13 0.38 1.67 0.00 0.10 0.00 0.00 66.02 68.30 1i6g s SER 54 CO 0.01 -0.42 2.17 0.00 0.98 0.00 0.00 173.24 175.99 1i6g h ALA 55 N 4.01 1.40 -4.06 5.32 0.00 -2.05 -3.41 119.26 120.46 1i6g h ALA 55 Ca -0.29 -0.05 -0.45 0.00 0.00 0.00 0.00 54.91 54.12 1i6g h ALA 55 Cb 1.18 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.68 1i6g h ALA 55 CO 0.38 0.07 -0.80 -0.08 0.00 0.00 0.00 179.25 178.83 1i6g s THR 56 N -4.41 0.98 0.36 0.00 -1.32 -1.26 -5.13 115.64 104.85 1i6g s THR 56 Ca -0.04 -0.61 0.01 0.00 -1.21 0.00 0.00 61.69 59.85 1i6g s THR 56 Cb 0.14 -0.83 -0.00 0.00 -1.51 0.00 0.00 72.50 70.30 1i6g s THR 56 CO 0.56 0.22 0.44 0.54 -2.21 0.00 0.00 174.62 174.16 1i6g s ASN 57 N -0.45 1.27 -0.64 8.08 2.20 -1.26 -5.04 114.94 119.10 1i6g s ASN 57 Ca 0.04 -1.62 0.03 0.00 -0.94 0.00 0.00 52.86 50.38 1i6g s ASN 57 Cb -0.05 0.65 0.36 0.00 -2.00 0.00 0.00 41.25 40.21 1i6g s ASN 57 CO -0.00 -1.27 1.23 -0.38 -2.94 0.00 0.00 177.10 173.74 1i6g n ILE 58 N -0.61 3.47 -5.06 0.54 5.41 -1.26 -5.03 119.36 116.82 1i6g n ILE 58 Ca 0.03 -5.38 -0.32 0.00 1.00 0.00 0.00 62.75 58.08 1i6g n ILE 58 Cb 0.61 -1.38 -0.14 0.00 -0.71 0.00 0.00 39.64 38.02 1i6g n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55