#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 5.42 0.00 -5.58 1.01 -1.26 0.22 116.67 116.48 1i6g s ASP 2 Ca 0.00 -0.49 0.00 0.00 0.71 0.00 0.00 52.55 52.77 1i6g s ASP 2 Cb 0.00 -0.85 0.00 0.00 1.01 0.00 0.00 42.92 43.08 1i6g s ASP 2 CO 0.00 -0.53 0.00 0.61 0.21 0.00 0.00 175.17 175.46 1i6g n GLY 3 N -1.56 -1.19 3.34 0.21 0.00 -1.01 -4.96 105.19 100.01 1i6g n GLY 3 Ca 0.02 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 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 2.86 0.24 1.61 1.51 -1.26 -2.05 117.35 117.27 1i6g s TYR 4 Ca 0.00 -0.80 -0.30 0.00 -1.01 0.00 0.00 57.07 54.96 1i6g s TYR 4 Cb 0.00 -1.93 -0.09 0.00 -0.11 0.00 0.00 41.96 39.83 1i6g s TYR 4 CO 0.00 -0.35 1.27 -1.25 -1.11 0.00 0.00 175.55 174.11 1i6g s PRO 5 N 0.76 4.42 0.51 -1.71 0.04 -1.26 -0.39 135.00 137.36 1i6g s PRO 5 Ca -0.04 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.14 1i6g s PRO 5 Cb -0.15 -3.16 0.05 0.00 0.04 0.00 0.00 34.50 31.28 1i6g s PRO 5 CO 0.01 -0.16 0.66 0.14 0.04 0.00 0.00 177.00 177.69 1i6g s VAL 6 N -0.41 2.45 0.38 -0.36 -7.23 -0.75 -1.94 120.40 112.55 1i6g s VAL 6 Ca 0.53 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 1i6g s VAL 6 Cb -0.37 -2.51 0.07 0.00 0.56 0.00 0.00 36.38 34.14 1i6g s VAL 6 CO 0.42 0.00 0.53 -0.90 -0.31 0.00 0.00 175.10 174.84 1i6g n ASP 7 N -2.02 0.86 0.20 4.85 5.75 -0.06 -4.79 116.55 121.34 1i6g n ASP 7 Ca 0.11 -1.69 0.12 0.00 -0.01 0.00 0.00 54.79 53.31 1i6g n ASP 7 Cb 0.61 -0.33 0.63 0.00 -1.03 0.00 0.00 41.12 41.00 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 -0.23 0.00 0.00 -1.12 4.64 -2.00 -1.32 113.55 113.52 1i6g h SER 8 Ca -0.17 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.86 1i6g h SER 8 Cb 0.68 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 1i6g h SER 8 CO 0.20 0.00 -2.28 1.17 -0.87 0.00 0.00 176.83 175.05 1i6g n LYS 9 N -2.37 0.74 0.00 4.77 4.81 -1.26 -4.99 118.16 119.86 1i6g n LYS 9 Ca -0.02 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1i6g n LYS 9 Cb 0.16 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.70 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 1.68 1.03 3.74 3.14 0.00 -0.50 -5.11 105.19 109.17 1i6g n GLY 10 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 2.14 0.71 -2.97 0.00 5.02 -1.26 -0.88 118.16 120.91 1i6g n LYS 12 Ca 0.00 0.27 -0.43 0.00 -2.02 0.00 0.00 58.31 56.14 1i6g n LYS 12 Cb 0.48 -1.90 -0.05 0.00 -0.02 0.00 0.00 35.03 33.54 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 -0.42 4.51 0.38 -0.35 2.96 -0.82 -4.72 118.68 120.22 1i6g s LEU 13 Ca 0.71 -0.69 -0.26 0.00 -0.22 0.00 0.00 54.13 53.67 1i6g s LEU 13 Cb -0.44 -2.61 -0.09 0.00 0.50 0.00 0.00 46.19 43.55 1i6g s LEU 13 CO 0.51 -1.13 1.19 -0.44 -1.32 0.00 0.00 176.35 175.17 1i6g s SER 14 N 2.93 6.62 0.17 3.68 0.01 -1.26 0.04 113.70 125.88 1i6g s SER 14 Ca 0.23 2.40 0.01 0.00 1.31 0.00 0.00 55.95 59.90 1i6g s SER 14 Cb -0.16 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.40 1i6g s SER 14 CO 0.15 -0.61 0.04 0.00 0.41 0.00 0.00 173.24 173.22 1i6g n VAL 16 N -0.22 0.73 -3.54 0.00 3.14 -1.26 -4.57 118.33 112.60 1i6g n VAL 16 Ca -0.05 -0.84 -0.11 0.00 -2.96 0.00 0.00 64.34 60.38 1i6g n VAL 16 Cb 0.64 0.37 -0.02 0.00 -1.06 0.00 0.00 33.84 33.76 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 -1.03 -1.40 -0.05 1.55 0.00 -1.26 -5.06 121.76 114.51 1i6g s ALA 17 Ca 0.10 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.21 1i6g s ALA 17 Cb 0.09 0.86 -0.29 0.00 0.00 0.00 0.00 23.12 23.77 1i6g s ALA 17 CO 0.01 -0.80 0.67 -0.91 0.00 0.00 0.00 175.76 174.73 1i6g h ASN 18 N 2.06 0.54 -0.46 0.00 4.21 -1.92 -3.31 115.58 116.69 1i6g h ASN 18 Ca -0.31 -0.84 0.02 0.00 1.21 0.00 0.00 56.30 56.38 1i6g h ASN 18 Cb 1.29 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 38.28 1i6g h ASN 18 CO 0.37 1.71 0.27 -0.55 -1.29 0.00 0.00 177.43 177.94 1i6g h ASN 19 N 0.09 0.43 -0.43 5.81 -1.07 -1.97 0.39 115.58 118.83 1i6g h ASN 19 Ca -0.33 0.01 0.07 0.00 0.07 0.00 0.00 56.30 56.11 1i6g h ASN 19 Cb 2.08 -0.08 -0.09 0.00 -2.07 0.00 0.00 38.32 38.15 1i6g h ASN 19 CO 0.16 0.31 -0.43 0.22 0.07 0.00 0.00 177.43 177.76 1i6g h TYR 20 N 0.54 -1.25 -0.17 4.14 3.20 -1.94 0.80 116.97 122.29 1i6g h TYR 20 Ca 0.19 0.07 -0.12 0.00 3.14 0.00 0.00 58.73 62.01 1i6g h TYR 20 Cb 0.03 0.61 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1i6g h TYR 20 CO -0.07 -0.44 -0.40 0.00 -1.64 0.00 0.00 178.16 175.61 1i6g h ASP 22 N 0.32 -0.40 0.04 0.00 1.82 0.21 0.25 116.42 118.66 1i6g h ASP 22 Ca 0.03 0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1i6g h ASP 22 Cb 0.85 0.28 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1i6g h ASP 22 CO 0.07 -0.14 -0.02 -1.13 -1.61 0.00 0.00 179.24 176.41 1i6g h ASN 23 N 0.03 -0.04 -0.02 2.28 -1.24 -1.19 -2.30 115.58 113.10 1i6g h ASN 23 Ca 0.24 -0.52 0.01 0.00 0.71 0.00 0.00 56.30 56.74 1i6g h ASN 23 Cb 0.37 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 1i6g h ASN 23 CO -0.49 0.52 -0.25 -0.61 -1.29 0.00 0.00 177.43 175.31 1i6g h GLN 24 N -0.63 -0.29 -0.54 6.67 5.75 -1.06 -0.66 115.11 124.37 1i6g h GLN 24 Ca -0.01 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.61 1i6g h GLN 24 Cb 0.56 0.07 -0.11 0.00 1.07 0.00 0.00 27.48 29.07 1i6g h GLN 24 CO 0.01 -0.19 -0.30 0.00 -2.65 0.00 0.00 178.83 175.69 1i6g h LYS 26 N -0.17 -0.16 -0.34 0.00 3.64 -0.78 1.79 116.57 120.55 1i6g h LYS 26 Ca 0.22 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.71 1i6g h LYS 26 Cb 0.53 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1i6g h LYS 26 CO -0.63 -0.11 0.36 0.52 -2.27 0.00 0.00 179.45 177.32 1i6g h MET 27 N -0.17 0.00 -0.78 1.90 2.86 0.42 0.64 114.93 119.81 1i6g h MET 27 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1i6g h MET 27 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1i6g h MET 27 CO -0.74 0.00 0.00 1.63 1.06 0.00 0.00 176.91 178.86 1i6g n LYS 28 N -3.79 2.80 -3.47 1.72 5.02 0.60 -4.87 118.16 116.18 1i6g n LYS 28 Ca 0.06 -1.49 -0.23 0.00 -2.02 0.00 0.00 58.31 54.63 1i6g n LYS 28 Cb 0.52 -1.83 0.07 0.00 -0.02 0.00 0.00 35.03 33.77 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 0.31 -7.27 -3.90 1.97 4.81 0.22 -4.24 118.16 110.06 1i6g n LYS 29 Ca 0.13 0.83 -0.22 0.00 -0.87 0.00 0.00 58.31 58.17 1i6g n LYS 29 Cb 0.68 -5.79 -0.05 0.00 0.02 0.00 0.00 35.03 29.89 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 -3.29 3.73 -0.09 3.14 0.00 -0.91 -4.23 121.76 120.12 1i6g s ALA 30 Ca 0.52 -1.84 -0.00 0.00 0.00 0.00 0.00 51.96 50.64 1i6g s ALA 30 Cb -0.23 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 1i6g s ALA 30 CO 0.65 -0.07 -0.08 0.45 0.00 0.00 0.00 175.76 176.71 1i6g n SER 31 N -1.32 2.88 -4.27 0.00 2.88 0.23 -4.27 113.62 109.75 1i6g n SER 31 Ca -0.01 -0.02 -0.44 0.00 -1.33 0.00 0.00 58.87 57.07 1i6g n SER 31 Cb 0.62 -0.16 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 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 -4.88 2.69 -0.27 0.46 0.00 -0.94 -4.85 107.32 99.54 1i6g s GLY 32 Ca -0.12 -3.37 -0.02 0.00 0.00 0.00 0.00 44.72 41.21 1i6g s GLY 32 CO 0.19 1.23 -0.03 -0.32 0.00 0.00 0.00 173.10 174.16 1i6g s GLY 33 N 1.69 1.68 0.05 0.20 0.00 -1.26 0.71 107.32 110.40 1i6g s GLY 33 Ca 0.19 -1.58 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 1i6g s GLY 33 CO -0.08 0.59 0.09 -2.39 0.00 0.00 0.00 173.10 171.31 1i6g n HIS 34 N 4.66 -0.88 -4.19 1.90 1.44 -0.71 -2.11 115.22 115.33 1i6g n HIS 34 Ca -0.15 -0.31 -0.34 0.00 -2.01 0.00 0.00 57.72 54.91 1i6g n HIS 34 Cb 0.46 0.11 -0.12 0.00 0.12 0.00 0.00 29.99 30.55 1i6g n HIS 34 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1i6g s TYR 36 N 0.73 -0.08 -1.18 0.00 5.04 -0.59 -4.83 117.35 116.45 1i6g s TYR 36 Ca -0.00 0.34 -0.00 0.00 -2.44 0.00 0.00 57.07 54.97 1i6g s TYR 36 Cb -0.14 -0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.00 1i6g s TYR 36 CO 0.02 -0.14 0.00 0.00 -1.34 0.00 0.00 175.55 174.09 1i6g n ALA 37 N 4.31 -0.41 -0.89 3.97 0.00 -1.26 -1.81 120.51 124.41 1i6g n ALA 37 Ca -0.25 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1i6g n ALA 37 Cb 0.51 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.33 -0.61 -4.91 0.00 1.56 -1.26 -4.97 117.12 104.59 1i6g n MET 38 Ca -0.16 0.15 -0.28 0.00 -0.27 0.00 0.00 57.70 57.14 1i6g n MET 38 Cb 0.62 -3.85 -0.15 0.00 2.15 0.00 0.00 33.22 31.99 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 -2.20 2.67 0.65 6.12 0.01 -0.75 -1.95 113.70 118.26 1i6g s SER 39 Ca 0.00 -0.48 -0.15 0.00 1.31 0.00 0.00 55.95 56.64 1i6g s SER 39 Cb 0.00 -0.26 -0.00 0.00 0.21 0.00 0.00 66.02 65.96 1i6g s SER 39 CO 0.00 0.23 1.09 0.00 0.41 0.00 0.00 173.24 174.98 1i6g s TYR 41 N -2.44 -0.86 0.03 0.00 5.04 -0.79 -4.27 117.35 114.06 1i6g s TYR 41 Ca 0.65 1.80 0.08 0.00 -2.44 0.00 0.00 57.07 57.16 1i6g s TYR 41 Cb -0.19 0.46 -0.03 0.00 0.35 0.00 0.00 41.96 42.55 1i6g s TYR 41 CO 0.42 -0.44 -0.23 0.00 -1.34 0.00 0.00 175.55 173.96 1i6g s GLU 43 N -1.17 2.17 0.00 0.00 2.12 0.22 -2.41 118.70 119.63 1i6g s GLU 43 Ca 0.12 -1.64 0.00 0.00 0.36 0.00 0.00 54.97 53.81 1i6g s GLU 43 Cb -0.10 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.78 1i6g s GLU 43 CO 0.02 -0.95 0.00 0.41 -0.54 0.00 0.00 175.26 174.20 1i6g n GLY 44 N 4.64 0.71 3.55 -1.50 0.00 -1.19 -0.60 105.19 110.80 1i6g n GLY 44 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 0.47 -4.73 0.99 4.77 0.13 -4.25 117.00 114.38 1i6g n LEU 45 Ca 0.00 0.07 -0.29 0.00 -0.03 0.00 0.00 56.01 55.76 1i6g n LEU 45 Cb 0.00 -1.35 0.17 0.00 -2.33 0.00 0.00 43.42 39.92 1i6g n LEU 45 CO 0.00 -2.84 0.69 -2.16 -1.33 0.00 0.00 177.39 171.75 1i6g s PRO 46 N -4.48 0.43 0.52 3.23 0.04 -1.26 0.06 135.00 133.54 1i6g s PRO 46 Ca 0.68 0.21 0.33 0.00 0.04 0.00 0.00 61.00 62.25 1i6g s PRO 46 Cb -0.24 -1.76 1.36 0.00 0.04 0.00 0.00 34.50 33.89 1i6g s PRO 46 CO 0.62 -2.66 1.96 1.49 0.04 0.00 0.00 177.00 178.46 1i6g h GLU 47 N -1.83 0.00 -0.40 4.56 4.81 -1.94 -2.71 114.58 117.07 1i6g h GLU 47 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1i6g h GLU 47 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1i6g h GLU 47 CO 0.53 0.00 0.00 0.27 -0.73 0.00 0.00 179.01 179.08 1i6g n ASN 48 N -2.97 4.39 -4.64 1.04 0.23 -1.26 -5.01 115.26 107.03 1i6g n ASN 48 Ca 0.01 -2.83 -0.34 0.00 -0.53 0.00 0.00 54.58 50.88 1i6g n ASN 48 Cb 0.28 -0.56 0.12 0.00 -2.08 0.00 0.00 39.78 37.54 1i6g n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i6g n ALA 49 N 0.07 -0.41 -3.25 -2.53 0.00 -1.02 -4.92 120.51 108.45 1i6g n ALA 49 Ca 0.23 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 1i6g n ALA 49 Cb 0.93 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 1i6g n ALA 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1i6g n LYS 50 N -2.73 3.71 -4.56 0.00 4.81 -1.26 -5.01 118.16 113.12 1i6g n LYS 50 Ca 0.13 -4.53 -0.26 0.00 -0.87 0.00 0.00 58.31 52.78 1i6g n LYS 50 Cb 0.50 -2.48 -0.10 0.00 0.02 0.00 0.00 35.03 32.97 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 -2.07 1.58 -0.23 3.15 -7.23 -1.26 -1.81 120.40 112.54 1i6g s VAL 51 Ca 0.31 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.29 1i6g s VAL 51 Cb -0.01 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1i6g s VAL 51 CO -0.00 0.00 0.59 -0.55 -0.31 0.00 0.00 175.10 174.83 1i6g s SER 52 N -3.63 6.58 -0.16 4.85 0.15 0.47 -4.85 113.70 117.12 1i6g s SER 52 Ca 0.33 0.71 0.02 0.00 0.70 0.00 0.00 55.95 57.71 1i6g s SER 52 Cb 0.09 -2.32 0.27 0.00 -1.71 0.00 0.00 66.02 62.34 1i6g s SER 52 CO 0.16 -0.29 1.30 -0.90 1.20 0.00 0.00 173.24 174.71 1i6g n ASP 53 N 5.28 3.22 -3.68 5.45 5.75 -1.26 -4.06 116.55 127.25 1i6g n ASP 53 Ca -0.02 -2.58 -0.30 0.00 -0.01 0.00 0.00 54.79 51.88 1i6g n ASP 53 Cb 0.50 -0.62 -0.14 0.00 -1.03 0.00 0.00 41.12 39.82 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 0.06 3.76 0.55 -1.12 1.04 -1.26 -4.96 113.70 111.77 1i6g s SER 54 Ca 0.22 -2.00 0.27 0.00 0.48 0.00 0.00 55.95 54.91 1i6g s SER 54 Cb 0.18 -0.84 1.44 0.00 0.10 0.00 0.00 66.02 66.91 1i6g s SER 54 CO 0.05 -0.36 1.79 0.00 0.98 0.00 0.00 173.24 175.70 1i6g h ALA 55 N 7.55 1.23 -3.13 5.32 0.00 -2.05 -3.16 119.26 125.03 1i6g h ALA 55 Ca -0.08 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.21 1i6g h ALA 55 Cb 0.98 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.35 1i6g h ALA 55 CO 0.45 -0.23 -0.59 0.99 0.00 0.00 0.00 179.25 179.87 1i6g s THR 56 N -3.85 2.79 0.25 0.00 2.01 -1.26 -5.06 115.64 110.51 1i6g s THR 56 Ca -0.03 -4.07 -0.05 0.00 0.31 0.00 0.00 61.69 57.85 1i6g s THR 56 Cb 0.08 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 1i6g s THR 56 CO 0.24 -0.97 0.33 0.54 -0.69 0.00 0.00 174.62 174.07 1i6g s ASN 57 N -1.21 0.33 0.04 3.53 4.22 -1.20 -5.18 114.94 115.47 1i6g s ASN 57 Ca 0.23 -1.27 -0.01 0.00 -2.14 0.00 0.00 52.86 49.68 1i6g s ASN 57 Cb -0.08 0.52 -0.03 0.00 1.28 0.00 0.00 41.25 42.94 1i6g s ASN 57 CO -0.14 -1.05 -0.03 -0.51 -2.04 0.00 0.00 177.10 173.33 1i6g s ILE 58 N -3.84 0.18 -0.02 0.54 2.07 -1.26 -5.09 121.20 113.78 1i6g s ILE 58 Ca 0.32 -1.44 0.01 0.00 -1.41 0.00 0.00 60.65 58.12 1i6g s ILE 58 Cb 0.02 -1.01 0.02 0.00 0.13 0.00 0.00 42.46 41.63 1i6g s ILE 58 CO 0.14 -0.79 -0.01 0.00 -1.91 0.00 0.00 174.94 172.36