#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqd n LYS 1 N 0.00 0.00 0.00 5.56 4.81 -1.26 -4.50 118.16 122.77 1lqd n LYS 1 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1lqd n LYS 1 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1lqd n LYS 1 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1lqd n LEU 1 N -0.89 0.00 0.23 3.14 4.77 -1.26 -4.16 117.00 118.83 1lqd n LEU 1 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1lqd n LEU 1 Cb 0.00 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.62 1lqd n LEU 1 CO 0.00 0.00 0.92 0.00 -1.33 0.00 0.00 177.39 176.98 1lqd h SER 2 N 0.00 0.00 -3.15 0.00 0.02 -1.93 -3.08 113.55 105.42 1lqd h SER 2 Ca 0.00 -0.04 -0.74 0.00 -0.84 0.00 0.00 61.79 60.17 1lqd h SER 2 Cb 0.60 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.92 1lqd h SER 2 CO 0.00 0.02 0.32 -0.22 -1.14 0.00 0.00 176.83 175.81 1lqd s LEU 3 N -5.01 5.91 -1.30 5.07 2.96 0.32 -4.60 118.68 122.03 1lqd s LEU 3 Ca 0.08 -2.18 -0.01 0.00 -0.22 0.00 0.00 54.13 51.80 1lqd s LEU 3 Cb 0.10 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.51 1lqd s LEU 3 CO 0.66 -0.86 0.79 -0.67 -1.32 0.00 0.00 176.35 174.95 1lqd n ASP 4 N 5.35 -1.65 -1.62 3.68 2.03 -1.26 -1.06 116.55 122.02 1lqd n ASP 4 Ca 0.11 -0.77 -0.16 0.00 0.52 0.00 0.00 54.79 54.48 1lqd n ASP 4 Cb 0.46 -4.28 -0.06 0.00 -0.72 0.00 0.00 41.12 36.52 1lqd n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1lqd n ASN 5 N -3.06 -4.31 -0.93 1.67 5.15 -1.16 -0.04 115.26 112.58 1lqd n ASN 5 Ca -0.27 0.35 -0.12 0.00 -0.60 0.00 0.00 54.58 53.94 1lqd n ASN 5 Cb 0.67 -3.87 -0.05 0.00 -0.53 0.00 0.00 39.78 35.99 1lqd n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lqd n GLY 6 N -0.39 1.26 2.49 8.20 0.00 -0.22 -1.68 105.19 114.84 1lqd n GLY 6 Ca -0.17 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1lqd n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lqd n ASP 7 N -0.57 -2.87 -4.87 1.61 2.03 0.94 -4.96 116.55 107.86 1lqd n ASP 7 Ca -0.12 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.88 1lqd n ASP 7 Cb 0.48 -1.11 0.02 0.00 -0.72 0.00 0.00 41.12 39.79 1lqd n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1lqd h ASP 9 N -0.37 0.42 0.00 0.00 5.19 -1.83 -3.47 116.42 116.36 1lqd h ASP 9 Ca -0.44 -0.90 0.00 0.00 -0.62 0.00 0.00 57.03 55.07 1lqd h ASP 9 Cb 1.20 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.58 1lqd h ASP 9 CO 0.62 1.51 0.00 0.00 -3.12 0.00 0.00 179.24 178.25 1lqd n GLN 10 N -4.03 0.00 -1.93 3.56 6.02 -1.26 -5.03 117.38 114.71 1lqd n GLN 10 Ca -0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.38 1lqd n GLN 10 Cb 0.86 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 32.11 1lqd n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1lqd s PHE 11 N 2.41 2.79 -0.01 1.08 0.08 -1.05 -4.92 117.98 118.37 1lqd s PHE 11 Ca 0.00 1.22 0.04 0.00 0.12 0.00 0.00 56.93 58.31 1lqd s PHE 11 Cb 0.00 -3.89 -0.01 0.00 -0.57 0.00 0.00 43.02 38.55 1lqd s PHE 11 CO 0.00 -2.61 -0.13 0.00 -0.10 0.00 0.00 175.22 172.39 1lqd s HIS 13 N -0.32 -0.41 -0.56 0.00 5.04 -0.67 -4.99 115.29 113.38 1lqd s HIS 13 Ca 0.05 0.95 -0.19 0.00 -1.54 0.00 0.00 55.06 54.33 1lqd s HIS 13 Cb -0.05 0.14 0.08 0.00 0.04 0.00 0.00 32.58 32.79 1lqd s HIS 13 CO -0.00 -0.22 0.70 -1.21 -2.34 0.00 0.00 174.74 171.67 1lqd s GLU 14 N 0.57 3.08 -0.52 2.88 2.02 -1.26 -0.40 118.70 125.07 1lqd s GLU 14 Ca -0.03 -1.12 -0.17 0.00 0.02 0.00 0.00 54.97 53.67 1lqd s GLU 14 Cb -0.05 -4.20 0.10 0.00 0.10 0.00 0.00 34.13 30.08 1lqd s GLU 14 CO -0.03 -1.44 0.53 -2.00 0.02 0.00 0.00 175.26 172.33 1lqd s GLU 15 N 2.78 3.02 -1.25 1.61 2.56 -0.58 -4.46 118.70 122.37 1lqd s GLU 15 Ca 0.14 -1.40 -0.01 0.00 0.00 0.00 0.00 54.97 53.71 1lqd s GLU 15 Cb -0.22 -4.21 -0.00 0.00 2.00 0.00 0.00 34.13 31.70 1lqd s GLU 15 CO 0.09 -1.26 0.84 1.04 -0.56 0.00 0.00 175.26 175.40 1lqd n GLN 16 N 5.59 -5.46 -0.95 4.30 1.13 -1.26 -4.50 117.38 116.22 1lqd n GLN 16 Ca -0.11 0.72 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 1lqd n GLN 16 Cb 0.42 -5.47 0.00 0.00 0.11 0.00 0.00 30.24 25.30 1lqd n GLN 16 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1lqd n ASN 17 N -3.09 -5.48 0.00 1.08 2.85 -1.26 -5.07 115.26 104.28 1lqd n ASN 17 Ca -0.28 0.80 0.00 0.00 -0.11 0.00 0.00 54.58 54.99 1lqd n ASN 17 Cb 0.67 -2.51 0.00 0.00 1.24 0.00 0.00 39.78 39.18 1lqd n ASN 17 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1lqd n SER 18 N -1.12 -0.35 -4.83 1.20 2.88 -1.26 -5.01 113.62 105.13 1lqd n SER 18 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1lqd n SER 18 Cb 0.04 0.52 -0.07 0.00 -0.75 0.00 0.00 64.21 63.95 1lqd n SER 18 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1lqd s VAL 19 N -2.02 4.48 -0.13 2.46 1.01 -1.26 -1.53 120.40 123.41 1lqd s VAL 19 Ca 0.00 1.33 -0.04 0.00 0.00 0.00 0.00 61.98 63.28 1lqd s VAL 19 Cb 0.00 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.81 1lqd s VAL 19 CO 0.00 -0.23 0.17 -0.69 0.00 0.00 0.00 175.10 174.35 1lqd s VAL 20 N -2.06 -0.26 0.24 2.92 1.01 0.47 -4.85 120.40 117.87 1lqd s VAL 20 Ca 0.58 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.68 1lqd s VAL 20 Cb -0.10 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1lqd s VAL 20 CO 0.15 -0.02 0.47 0.00 0.00 0.00 0.00 175.10 175.70 1lqd s SER 22 N -3.21 0.10 0.10 0.00 1.04 -0.88 -4.94 113.70 105.92 1lqd s SER 22 Ca 0.41 -1.21 0.04 0.00 0.48 0.00 0.00 55.95 55.68 1lqd s SER 22 Cb -0.11 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 1lqd s SER 22 CO 0.30 -0.99 -0.12 0.00 0.98 0.00 0.00 173.24 173.41 1lqd s ALA 24 N -2.07 0.23 0.15 0.00 0.00 -1.26 -4.83 121.76 113.98 1lqd s ALA 24 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 51.96 51.69 1lqd s ALA 24 Cb -0.05 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1lqd s ALA 24 CO 0.01 -3.40 1.74 1.03 0.00 0.00 0.00 175.76 175.14 1lqd s ARG 25 N -4.59 4.15 0.00 0.00 0.52 -1.26 -2.35 118.95 115.43 1lqd s ARG 25 Ca 0.67 2.53 0.00 0.00 -0.52 0.00 0.00 55.73 58.41 1lqd s ARG 25 Cb -0.23 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.85 1lqd s ARG 25 CO 0.62 -0.77 0.00 0.41 0.02 0.00 0.00 175.30 175.58 1lqd n GLY 26 N 4.06 0.64 3.37 -3.53 0.00 -1.26 -4.69 105.19 103.77 1lqd n GLY 26 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1lqd n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lqd s TYR 27 N -2.00 1.87 -0.02 1.61 1.51 -0.99 -0.50 117.35 118.82 1lqd s TYR 27 Ca 0.00 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.60 1lqd s TYR 27 Cb 0.00 -0.88 0.00 0.00 -0.11 0.00 0.00 41.96 40.97 1lqd s TYR 27 CO 0.00 0.42 -0.09 0.95 -1.11 0.00 0.00 175.55 175.71 1lqd s THR 28 N -2.53 0.79 0.14 -0.71 -4.23 0.20 -4.78 115.64 104.53 1lqd s THR 28 Ca 0.21 -0.37 -0.32 0.00 -1.18 0.00 0.00 61.69 60.04 1lqd s THR 28 Cb -0.03 -0.70 -0.11 0.00 1.34 0.00 0.00 72.50 72.99 1lqd s THR 28 CO 0.08 0.25 1.80 -0.11 -0.54 0.00 0.00 174.62 176.10 1lqd n LEU 29 N 3.25 3.96 -4.66 4.79 7.94 -1.26 -0.17 117.00 130.85 1lqd n LEU 29 Ca -0.18 1.01 -0.29 0.00 -1.11 0.00 0.00 56.01 55.44 1lqd n LEU 29 Cb 0.54 -1.54 0.20 0.00 0.53 0.00 0.00 43.42 43.15 1lqd n LEU 29 CO 0.25 0.14 0.64 0.00 -1.11 0.00 0.00 177.39 177.31 1lqd s ALA 30 N 2.28 0.88 0.31 1.96 0.00 0.46 -4.86 121.76 122.78 1lqd s ALA 30 Ca 0.80 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 52.24 1lqd s ALA 30 Cb -0.51 -3.03 0.74 0.00 0.00 0.00 0.00 23.12 20.32 1lqd s ALA 30 CO 0.37 -3.07 1.79 0.22 0.00 0.00 0.00 175.76 175.07 1lqd h ASP 31 N -2.11 0.78 0.22 0.00 -0.00 -1.94 0.74 116.42 114.13 1lqd h ASP 31 Ca -0.51 0.08 0.00 0.00 -0.00 0.00 0.00 57.03 56.60 1lqd h ASP 31 Cb 1.32 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 40.59 1lqd h ASP 31 CO 0.50 0.31 0.00 -0.46 -0.00 0.00 0.00 179.24 179.59 1lqd n ASN 32 N -4.72 0.00 -0.31 2.28 0.23 -1.26 -4.83 115.26 106.65 1lqd n ASN 32 Ca 0.22 0.43 -0.04 0.00 -0.53 0.00 0.00 54.58 54.66 1lqd n ASN 32 Cb 0.55 -0.45 -0.02 0.00 -2.08 0.00 0.00 39.78 37.78 1lqd n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1lqd n GLY 33 N -0.73 0.67 1.50 4.83 0.00 0.25 -4.84 105.19 106.87 1lqd n GLY 33 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1lqd n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lqd n LYS 34 N -2.22 0.00 -1.46 1.61 5.02 -1.26 -4.15 118.16 115.70 1lqd n LYS 34 Ca -0.04 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.91 1lqd n LYS 34 Cb 0.22 -0.26 0.09 0.00 -0.02 0.00 0.00 35.03 35.05 1lqd n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lqd s ALA 35 N -2.00 2.16 -0.22 7.82 0.00 -1.26 -2.68 121.76 125.57 1lqd s ALA 35 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1lqd s ALA 35 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.71 1lqd s ALA 35 CO 0.00 -1.80 -0.11 0.00 0.00 0.00 0.00 175.76 173.85 1lqd s ILE 37 N 1.32 5.35 0.37 0.00 -1.09 0.76 -4.86 121.20 123.06 1lqd s ILE 37 Ca 0.02 0.39 -0.26 0.00 -2.23 0.00 0.00 60.65 58.57 1lqd s ILE 37 Cb -0.15 -3.55 -0.09 0.00 -1.58 0.00 0.00 42.46 37.09 1lqd s ILE 37 CO -0.07 0.45 1.18 -2.84 -1.23 0.00 0.00 174.94 172.43 1lqd s PRO 38 N 0.12 4.17 -0.20 2.79 0.02 -1.26 0.60 135.00 141.23 1lqd s PRO 38 Ca 0.14 1.90 -0.20 0.00 0.02 0.00 0.00 61.00 62.86 1lqd s PRO 38 Cb -0.12 -2.80 -0.17 0.00 0.02 0.00 0.00 34.50 31.43 1lqd s PRO 38 CO 0.02 -0.23 0.13 2.41 -0.33 0.00 0.00 177.00 179.00 1lqd n THR 39 N 0.33 1.52 -3.33 0.99 -1.04 0.34 -4.85 114.28 108.24 1lqd n THR 39 Ca 0.03 -0.01 -0.17 0.00 -2.04 0.00 0.00 64.05 61.86 1lqd n THR 39 Cb 0.45 -2.08 0.03 0.00 -1.82 0.00 0.00 70.33 66.92 1lqd n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lqd n GLY 40 N 1.45 2.29 0.19 3.41 0.00 -1.26 -5.04 105.19 106.23 1lqd n GLY 40 Ca -0.30 -2.23 0.01 0.00 0.00 0.00 0.00 46.02 43.50 1lqd n GLY 40 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1lqd h PRO 41 N 0.00 0.11 -2.35 1.61 0.11 -1.98 -3.33 132.00 126.16 1lqd h PRO 41 Ca -0.23 -0.04 -0.59 0.00 0.11 0.00 0.00 66.00 65.24 1lqd h PRO 41 Cb 0.98 -0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.67 1lqd h PRO 41 CO 0.35 0.47 -0.73 0.66 -0.21 0.00 0.00 178.00 178.55 1lqd n TYR 42 N -4.07 2.35 -2.18 0.65 4.01 -1.26 -5.11 117.16 111.56 1lqd n TYR 42 Ca -0.02 -3.99 -0.37 0.00 -0.16 0.00 0.00 57.90 53.36 1lqd n TYR 42 Cb 0.43 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 1lqd n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1lqd s PRO 43 N -1.79 3.60 0.73 -0.72 0.04 -1.25 -4.98 135.00 130.62 1lqd s PRO 43 Ca 0.35 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 1lqd s PRO 43 Cb 0.11 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1lqd s PRO 43 CO -0.08 -0.70 0.69 0.00 0.04 0.00 0.00 177.00 176.95 1lqd n GLY 45 N 1.43 0.37 3.57 0.00 0.00 -1.26 -4.99 105.19 104.31 1lqd n GLY 45 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1lqd n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lqd s LYS 46 N -0.76 3.84 0.34 1.61 -0.14 -1.16 -5.08 119.74 118.39 1lqd s LYS 46 Ca 0.00 -0.42 -0.27 0.00 -1.36 0.00 0.00 55.97 53.92 1lqd s LYS 46 Cb 0.00 -3.09 -0.09 0.00 -1.68 0.00 0.00 37.83 32.96 1lqd s LYS 46 CO 0.00 0.25 1.19 -0.65 -0.76 0.00 0.00 175.35 175.37 1lqd s GLN 47 N 0.41 4.32 -0.16 1.68 -0.21 -1.26 -4.96 119.66 119.48 1lqd s GLN 47 Ca 0.00 1.93 -0.26 0.00 0.02 0.00 0.00 55.36 57.06 1lqd s GLN 47 Cb -0.13 -2.94 -0.01 0.00 1.00 0.00 0.00 33.01 30.92 1lqd s GLN 47 CO 0.01 -0.12 0.86 0.95 -2.12 0.00 0.00 175.29 174.88 1lqd s THR 48 N -1.26 4.87 -1.54 -0.19 -4.23 -1.26 -4.90 115.64 107.12 1lqd s THR 48 Ca 0.51 1.71 0.22 0.00 -1.18 0.00 0.00 61.69 62.95 1lqd s THR 48 Cb -0.34 -4.17 -0.10 0.00 1.34 0.00 0.00 72.50 69.24 1lqd s THR 48 CO 0.43 0.03 1.03 0.18 -0.54 0.00 0.00 174.62 175.75 1lqd n LEU 49 N 5.16 1.50 0.00 4.79 4.32 -1.26 -5.31 117.00 126.20 1lqd n LEU 49 Ca 0.05 -0.61 0.00 0.00 -0.02 0.00 0.00 56.01 55.44 1lqd n LEU 49 Cb 0.49 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1lqd n LEU 49 CO 0.49 0.31 0.00 -1.84 -1.22 0.00 0.00 177.39 175.13