#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 5.83 0.00 -5.58 1.01 -1.26 0.17 116.67 116.84 1i6g s ASP 2 Ca 0.00 -0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.20 1i6g s ASP 2 Cb 0.00 -1.60 0.00 0.00 1.01 0.00 0.00 42.92 42.33 1i6g s ASP 2 CO 0.00 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.00 1i6g n GLY 3 N -0.79 -2.09 3.56 0.21 0.00 -1.00 -4.96 105.19 100.11 1i6g n GLY 3 Ca -0.08 -1.20 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.31 3.19 0.31 1.61 1.51 -1.26 -2.52 117.35 117.87 1i6g s TYR 4 Ca 0.00 -0.09 -0.28 0.00 -1.01 0.00 0.00 57.07 55.69 1i6g s TYR 4 Cb 0.00 -2.21 -0.09 0.00 -0.11 0.00 0.00 41.96 39.54 1i6g s TYR 4 CO 0.00 -0.11 1.11 -1.25 -1.11 0.00 0.00 175.55 174.19 1i6g s PRO 5 N 1.16 4.52 0.49 -1.71 0.04 -1.26 -0.59 135.00 137.66 1i6g s PRO 5 Ca 0.05 1.78 0.04 0.00 0.04 0.00 0.00 61.00 62.91 1i6g s PRO 5 Cb -0.14 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 1i6g s PRO 5 CO 0.04 0.11 0.14 0.14 0.04 0.00 0.00 177.00 177.47 1i6g s VAL 6 N -1.25 1.56 0.55 -0.36 -7.23 -0.97 0.86 120.40 113.55 1i6g s VAL 6 Ca 0.47 -1.82 0.09 0.00 -1.81 0.00 0.00 61.98 58.91 1i6g s VAL 6 Cb -0.31 -2.37 0.09 0.00 0.56 0.00 0.00 36.38 34.35 1i6g s VAL 6 CO 0.40 0.00 0.71 -0.90 -0.31 0.00 0.00 175.10 174.99 1i6g n ASP 7 N -1.37 2.09 0.25 4.85 5.75 -0.80 -4.83 116.55 122.51 1i6g n ASP 7 Ca -0.10 -2.50 0.15 0.00 -0.01 0.00 0.00 54.79 52.33 1i6g n ASP 7 Cb 0.66 -0.35 0.69 0.00 -1.03 0.00 0.00 41.12 41.09 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 0.17 0.00 0.17 -1.12 4.64 -2.00 0.70 113.55 116.11 1i6g h SER 8 Ca -0.27 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.80 1i6g h SER 8 Cb 1.18 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1i6g h SER 8 CO 0.39 0.00 -1.15 0.50 -0.87 0.00 0.00 176.83 175.70 1i6g h LYS 9 N 0.00 0.35 0.00 4.77 1.63 -2.03 -3.48 116.57 117.81 1i6g h LYS 9 Ca 0.07 -0.60 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 1i6g h LYS 9 Cb 1.01 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1i6g h LYS 9 CO -0.00 1.29 0.00 0.41 -3.45 0.00 0.00 179.45 177.70 1i6g n GLY 10 N 1.71 0.70 3.81 5.01 0.00 0.24 -5.12 105.19 111.54 1i6g n GLY 10 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 0.51 0.45 -2.52 0.00 5.02 -1.26 -1.90 118.16 118.47 1i6g n LYS 12 Ca 0.00 0.21 -0.40 0.00 -2.02 0.00 0.00 58.31 56.10 1i6g n LYS 12 Cb 0.51 -2.14 -0.03 0.00 -0.02 0.00 0.00 35.03 33.36 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 -2.52 3.52 0.10 -0.35 2.96 0.25 -4.75 118.68 117.89 1i6g s LEU 13 Ca 0.71 -1.54 -0.29 0.00 -0.22 0.00 0.00 54.13 52.80 1i6g s LEU 13 Cb -0.35 -2.57 -0.16 0.00 0.50 0.00 0.00 46.19 43.62 1i6g s LEU 13 CO 0.52 -1.58 0.64 -1.20 -1.32 0.00 0.00 176.35 173.42 1i6g n SER 14 N 9.29 -0.65 -4.17 3.68 7.64 -1.26 -0.37 113.62 127.77 1i6g n SER 14 Ca 0.36 0.99 -0.27 0.00 1.01 0.00 0.00 58.87 60.96 1i6g n SER 14 Cb 0.50 -0.81 -0.16 0.00 -1.01 0.00 0.00 64.21 62.72 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 2.98 0.05 -3.77 0.00 3.14 -1.26 -4.33 118.33 115.13 1i6g n VAL 16 Ca -0.17 -0.48 -0.08 0.00 -2.96 0.00 0.00 64.34 60.65 1i6g n VAL 16 Cb 0.53 1.07 -0.02 0.00 -1.06 0.00 0.00 33.84 34.35 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 -0.05 -1.30 -0.03 1.55 0.00 -1.26 -5.06 121.76 115.61 1i6g s ALA 17 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 1i6g s ALA 17 Cb 0.00 0.85 -0.26 0.00 0.00 0.00 0.00 23.12 23.71 1i6g s ALA 17 CO 0.00 -0.99 0.72 -0.91 0.00 0.00 0.00 175.76 174.58 1i6g h ASN 18 N 2.00 0.30 -0.69 0.00 2.35 -1.93 -3.30 115.58 114.30 1i6g h ASN 18 Ca -0.22 -0.50 0.03 0.00 -0.55 0.00 0.00 56.30 55.06 1i6g h ASN 18 Cb 1.26 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.49 1i6g h ASN 18 CO 0.26 1.43 0.43 -0.55 -1.65 0.00 0.00 177.43 177.35 1i6g h ASN 19 N 0.05 0.70 -0.17 5.81 -1.07 -1.97 0.28 115.58 119.21 1i6g h ASN 19 Ca -0.28 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.08 1i6g h ASN 19 Cb 2.01 -0.15 -0.01 0.00 -2.07 0.00 0.00 38.32 38.11 1i6g h ASN 19 CO 0.13 0.48 0.09 0.22 0.07 0.00 0.00 177.43 178.42 1i6g h TYR 20 N 0.83 0.24 -0.46 4.14 3.20 -1.97 -2.32 116.97 120.63 1i6g h TYR 20 Ca 0.28 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.02 1i6g h TYR 20 Cb 0.04 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1i6g h TYR 20 CO -0.05 0.24 -0.21 0.00 -1.64 0.00 0.00 178.16 176.50 1i6g h ASP 22 N 0.82 -0.99 -0.30 0.00 3.58 -0.25 0.13 116.42 119.41 1i6g h ASP 22 Ca 0.11 0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.63 1i6g h ASP 22 Cb 0.78 0.36 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 1i6g h ASP 22 CO 0.06 -0.45 0.07 -1.13 -2.88 0.00 0.00 179.24 174.91 1i6g h ASN 23 N -0.62 0.46 0.14 2.28 -0.73 -1.43 -2.10 115.58 113.59 1i6g h ASN 23 Ca 0.01 -0.24 -0.01 0.00 1.87 0.00 0.00 56.30 57.94 1i6g h ASN 23 Cb 0.62 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 39.09 1i6g h ASN 23 CO -0.16 0.58 -0.10 -0.61 -0.37 0.00 0.00 177.43 176.78 1i6g h GLN 24 N 0.32 -0.22 -0.70 6.67 5.75 -1.00 -1.01 115.11 124.93 1i6g h GLN 24 Ca 0.09 0.01 0.12 0.00 -0.15 0.00 0.00 58.65 58.72 1i6g h GLN 24 Cb 0.31 0.05 -0.12 0.00 1.07 0.00 0.00 27.48 28.78 1i6g h GLN 24 CO 0.00 -0.15 -0.36 0.00 -2.65 0.00 0.00 178.83 175.68 1i6g h LYS 26 N -0.13 -0.08 -0.11 0.00 3.64 -1.24 1.25 116.57 119.90 1i6g h LYS 26 Ca 0.26 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1i6g h LYS 26 Cb 0.56 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1i6g h LYS 26 CO -0.76 -0.05 0.18 0.52 -2.27 0.00 0.00 179.45 177.07 1i6g h MET 27 N -0.08 0.00 -1.05 1.90 2.86 0.74 -1.20 114.93 118.10 1i6g h MET 27 Ca 0.29 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.29 1i6g h MET 27 Cb 0.54 0.00 -0.28 0.00 0.06 0.00 0.00 31.60 31.92 1i6g h MET 27 CO -0.71 0.00 0.83 1.63 1.06 0.00 0.00 176.91 179.71 1i6g n LYS 28 N -3.51 2.59 -1.53 1.72 5.02 0.42 -4.83 118.16 118.03 1i6g n LYS 28 Ca 0.00 -3.12 -0.18 0.00 -2.02 0.00 0.00 58.31 52.99 1i6g n LYS 28 Cb 0.28 -2.22 -0.08 0.00 -0.02 0.00 0.00 35.03 32.99 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 -0.82 -1.47 -3.99 1.97 4.81 -0.46 -4.23 118.16 113.98 1i6g n LYS 29 Ca 0.60 1.12 -0.23 0.00 -0.87 0.00 0.00 58.31 58.92 1i6g n LYS 29 Cb 0.70 -5.48 -0.03 0.00 0.02 0.00 0.00 35.03 30.24 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 -2.56 3.86 -0.04 3.14 0.00 -0.60 -4.18 121.76 121.39 1i6g s ALA 30 Ca 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1i6g s ALA 30 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 1i6g s ALA 30 CO 0.00 0.35 -0.01 0.43 0.00 0.00 0.00 175.76 176.53 1i6g n SER 31 N -1.04 3.95 -4.36 0.00 7.64 -0.16 -3.36 113.62 116.30 1i6g n SER 31 Ca -0.08 -0.01 -0.45 0.00 1.01 0.00 0.00 58.87 59.33 1i6g n SER 31 Cb 0.56 0.28 -0.01 0.00 -1.01 0.00 0.00 64.21 64.04 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 -3.86 2.88 -0.22 0.23 0.00 -0.98 -4.84 107.32 100.52 1i6g s GLY 32 Ca -0.03 -3.57 -0.07 0.00 0.00 0.00 0.00 44.72 41.05 1i6g s GLY 32 CO 0.12 1.47 0.05 -0.32 0.00 0.00 0.00 173.10 174.41 1i6g s GLY 33 N 1.91 1.77 0.27 0.20 0.00 -1.26 -0.06 107.32 110.15 1i6g s GLY 33 Ca 0.29 -1.03 -0.21 0.00 0.00 0.00 0.00 44.72 43.78 1i6g s GLY 33 CO -0.07 0.37 0.70 -2.38 0.00 0.00 0.00 173.10 171.71 1i6g s HIS 34 N 1.23 -0.19 -0.12 1.90 -3.43 -0.61 -2.79 115.29 111.29 1i6g s HIS 34 Ca 0.04 -0.25 -0.10 0.00 -0.80 0.00 0.00 55.06 53.95 1i6g s HIS 34 Cb -0.15 0.67 -0.05 0.00 -1.43 0.00 0.00 32.58 31.63 1i6g s HIS 34 CO 0.03 -1.19 0.22 0.00 -2.00 0.00 0.00 174.74 171.79 1i6g s TYR 36 N -0.53 -0.68 -1.34 0.00 5.04 -0.49 -4.92 117.35 114.43 1i6g s TYR 36 Ca 0.16 1.49 -0.05 0.00 -2.44 0.00 0.00 57.07 56.23 1i6g s TYR 36 Cb -0.13 0.31 0.02 0.00 0.35 0.00 0.00 41.96 42.51 1i6g s TYR 36 CO 0.05 -0.35 0.98 0.00 -1.34 0.00 0.00 175.55 174.89 1i6g n ALA 37 N 3.64 -1.67 -1.15 3.97 0.00 -1.26 -0.86 120.51 123.18 1i6g n ALA 37 Ca -0.18 0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 1i6g n ALA 37 Cb 0.56 -3.60 -0.04 0.00 0.00 0.00 0.00 19.45 16.38 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 -4.52 -1.57 -4.34 0.00 2.81 -1.26 -4.90 117.12 103.33 1i6g n MET 38 Ca -0.14 0.67 -0.19 0.00 -1.81 0.00 0.00 57.70 56.23 1i6g n MET 38 Cb 0.61 -4.80 -0.15 0.00 -0.71 0.00 0.00 33.22 28.17 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 -1.92 1.07 0.32 7.83 0.01 -0.04 -1.75 113.70 119.22 1i6g s SER 39 Ca 0.00 -0.16 -0.28 0.00 1.31 0.00 0.00 55.95 56.82 1i6g s SER 39 Cb 0.00 -0.22 -0.09 0.00 0.21 0.00 0.00 66.02 65.92 1i6g s SER 39 CO 0.00 0.08 1.14 0.00 0.41 0.00 0.00 173.24 174.86 1i6g s TYR 41 N -1.26 1.10 0.02 0.00 5.04 -0.38 -4.05 117.35 117.81 1i6g s TYR 41 Ca 0.49 -0.21 0.05 0.00 -2.44 0.00 0.00 57.07 54.96 1i6g s TYR 41 Cb -0.32 -0.70 -0.02 0.00 0.35 0.00 0.00 41.96 41.27 1i6g s TYR 41 CO 0.41 -0.02 -0.15 0.00 -1.34 0.00 0.00 175.55 174.45 1i6g s GLU 43 N -0.87 2.18 0.00 0.00 2.12 0.91 -2.38 118.70 120.66 1i6g s GLU 43 Ca 0.04 -1.64 0.00 0.00 0.36 0.00 0.00 54.97 53.72 1i6g s GLU 43 Cb -0.07 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.79 1i6g s GLU 43 CO 0.01 -0.95 0.00 0.41 -0.54 0.00 0.00 175.26 174.18 1i6g n GLY 44 N 4.65 0.81 3.58 -1.50 0.00 -0.94 -0.99 105.19 110.79 1i6g n GLY 44 Ca -0.06 0.00 -0.30 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 1.11 -4.76 0.99 4.77 0.46 -4.09 117.00 115.48 1i6g n LEU 45 Ca 0.00 0.15 -0.40 0.00 -0.03 0.00 0.00 56.01 55.72 1i6g n LEU 45 Cb 0.00 -1.38 -0.04 0.00 -2.33 0.00 0.00 43.42 39.67 1i6g n LEU 45 CO 0.00 -2.69 0.81 -2.16 -1.33 0.00 0.00 177.39 172.02 1i6g s PRO 46 N -4.53 4.61 0.57 3.23 0.04 -1.26 0.26 135.00 137.92 1i6g s PRO 46 Ca 0.68 1.84 0.27 0.00 0.04 0.00 0.00 61.00 63.83 1i6g s PRO 46 Cb -0.24 -3.18 1.51 0.00 0.04 0.00 0.00 34.50 32.63 1i6g s PRO 46 CO 0.61 0.17 2.01 1.49 0.04 0.00 0.00 177.00 181.32 1i6g h GLU 47 N 3.84 0.00 -0.15 4.56 4.22 -1.92 0.19 114.58 125.32 1i6g h GLU 47 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1i6g h GLU 47 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1i6g h GLU 47 CO 0.67 0.00 0.00 0.27 -2.18 0.00 0.00 179.01 177.77 1i6g n ASN 48 N -4.00 1.45 -4.77 1.04 0.23 -1.26 -4.91 115.26 103.05 1i6g n ASN 48 Ca 0.06 -1.69 -0.34 0.00 -0.53 0.00 0.00 54.58 52.08 1i6g n ASN 48 Cb 0.50 -0.10 0.03 0.00 -2.08 0.00 0.00 39.78 38.13 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 -1.81 2.55 -0.56 -2.53 0.00 0.67 -4.96 121.76 115.12 1i6g s ALA 49 Ca 0.31 0.73 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 1i6g s ALA 49 Cb 0.16 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 20.02 1i6g s ALA 49 CO 0.25 -1.08 0.65 0.21 0.00 0.00 0.00 175.76 175.78 1i6g s LYS 50 N -3.66 3.06 0.32 0.00 2.36 -1.26 -5.02 119.74 115.54 1i6g s LYS 50 Ca 0.71 -1.23 0.05 0.00 -2.55 0.00 0.00 55.97 52.95 1i6g s LYS 50 Cb -0.23 -4.21 -0.06 0.00 -1.05 0.00 0.00 37.83 32.27 1i6g s LYS 50 CO 0.35 -1.41 0.03 0.14 1.55 0.00 0.00 175.35 176.01 1i6g s VAL 51 N 2.53 1.35 0.10 4.02 -7.23 -1.26 -2.29 120.40 117.63 1i6g s VAL 51 Ca 0.11 -2.03 -0.18 0.00 -1.81 0.00 0.00 61.98 58.08 1i6g s VAL 51 Cb -0.23 -2.72 -0.07 0.00 0.56 0.00 0.00 36.38 33.92 1i6g s VAL 51 CO 0.08 -0.08 0.57 -0.55 -0.31 0.00 0.00 175.10 174.81 1i6g s SER 52 N -3.49 7.00 -0.47 4.85 0.15 0.24 -4.90 113.70 117.08 1i6g s SER 52 Ca 0.35 1.23 0.03 0.00 0.70 0.00 0.00 55.95 58.25 1i6g s SER 52 Cb 0.08 -2.35 0.59 0.00 -1.71 0.00 0.00 66.02 62.64 1i6g s SER 52 CO 0.15 0.22 1.91 -0.90 1.20 0.00 0.00 173.24 175.82 1i6g n ASP 53 N 1.42 4.55 -3.65 5.45 5.68 -1.26 -4.12 116.55 124.62 1i6g n ASP 53 Ca -0.09 -3.58 -0.15 0.00 -0.50 0.00 0.00 54.79 50.47 1i6g n ASP 53 Cb 0.51 -0.86 -0.08 0.00 -1.14 0.00 0.00 41.12 39.55 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 -1.29 -0.44 0.43 -1.12 1.04 -1.26 -5.02 113.70 106.03 1i6g s SER 54 Ca 0.56 0.51 0.28 0.00 0.48 0.00 0.00 55.95 57.78 1i6g s SER 54 Cb 0.46 0.54 0.95 0.00 0.10 0.00 0.00 66.02 68.07 1i6g s SER 54 CO 0.08 -0.46 1.81 0.00 0.98 0.00 0.00 173.24 175.65 1i6g h ALA 55 N 3.79 1.00 -3.33 5.32 0.00 -2.03 -3.41 119.26 120.60 1i6g h ALA 55 Ca -0.28 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.01 1i6g h ALA 55 Cb 1.16 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.59 1i6g h ALA 55 CO 0.35 0.00 -0.82 0.99 0.00 0.00 0.00 179.25 179.77 1i6g s THR 56 N -3.41 1.68 0.43 0.00 2.01 -1.26 -5.07 115.64 110.03 1i6g s THR 56 Ca 0.05 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.20 1i6g s THR 56 Cb 0.08 -1.68 0.01 0.00 0.01 0.00 0.00 72.50 70.92 1i6g s THR 56 CO 0.56 0.27 0.53 0.54 -0.69 0.00 0.00 174.62 175.83 1i6g s ASN 57 N 1.40 5.43 -0.67 3.53 2.20 -1.26 -5.04 114.94 120.53 1i6g s ASN 57 Ca 0.01 -0.56 0.02 0.00 -0.94 0.00 0.00 52.86 51.38 1i6g s ASN 57 Cb -0.15 -0.54 0.38 0.00 -2.00 0.00 0.00 41.25 38.94 1i6g s ASN 57 CO -0.09 -0.78 1.55 -0.38 -2.94 0.00 0.00 177.10 174.45 1i6g n ILE 58 N -1.80 3.27 -2.92 0.54 -0.00 -1.26 -5.01 119.36 112.18 1i6g n ILE 58 Ca 0.07 -4.82 -0.41 0.00 -0.00 0.00 0.00 62.75 57.60 1i6g n ILE 58 Cb 0.60 -1.29 -0.04 0.00 -0.00 0.00 0.00 39.64 38.91 1i6g n ILE 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55