#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lcz h VAL 2 N 0.00 0.50 -3.65 3.17 2.07 -2.09 -3.39 116.25 112.87 3lcz h VAL 2 Ca 0.00 0.00 -0.63 0.00 0.82 0.00 0.00 66.70 66.89 3lcz h VAL 2 Cb 0.00 0.50 -0.38 0.00 -1.52 0.00 0.00 31.29 29.89 3lcz h VAL 2 CO 0.00 0.00 -0.78 -0.63 0.02 0.00 0.00 177.57 176.18 3lcz s ILE 3 N -6.10 1.70 0.47 4.57 1.01 -1.26 -5.06 121.20 116.52 3lcz s ILE 3 Ca -0.15 -1.47 0.02 0.00 0.00 0.00 0.00 60.65 59.06 3lcz s ILE 3 Cb 0.10 -2.00 0.01 0.00 0.01 0.00 0.00 42.46 40.58 3lcz s ILE 3 CO 0.67 -0.20 0.67 0.00 0.00 0.00 0.00 174.94 176.07 3lcz s ALA 4 N 1.29 3.96 0.24 9.38 0.00 -1.26 -4.95 121.76 130.41 3lcz s ALA 4 Ca -0.03 -1.28 -0.09 0.00 0.00 0.00 0.00 51.96 50.56 3lcz s ALA 4 Cb -0.19 -1.99 0.37 0.00 0.00 0.00 0.00 23.12 21.31 3lcz s ALA 4 CO -0.08 -0.45 1.63 1.15 0.00 0.00 0.00 175.76 178.01 3lcz h THR 5 N 0.38 0.33 0.00 0.00 2.02 -1.99 -0.56 112.91 113.08 3lcz h THR 5 Ca -0.44 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3lcz h THR 5 Cb 1.27 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3lcz h THR 5 CO 0.53 0.01 0.07 0.47 0.37 0.00 0.00 175.52 176.97 3lcz n ASP 6 N -5.39 0.50 0.03 4.18 8.00 -1.26 0.22 116.55 122.84 3lcz n ASP 6 Ca 0.12 0.71 0.11 0.00 0.71 0.00 0.00 54.79 56.45 3lcz n ASP 6 Cb 0.43 -0.76 0.08 0.00 -0.02 0.00 0.00 41.12 40.85 3lcz n ASP 6 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3lcz n ASP 7 N -2.20 0.63 -0.05 -2.24 8.00 -0.23 -4.37 116.55 116.09 3lcz n ASP 7 Ca -0.01 -0.13 -0.03 0.00 0.71 0.00 0.00 54.79 55.32 3lcz n ASP 7 Cb 0.10 0.57 -0.12 0.00 -0.02 0.00 0.00 41.12 41.65 3lcz n ASP 7 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3lcz n LEU 8 N -1.96 0.00 -3.64 0.64 4.77 0.13 -4.19 117.00 112.77 3lcz n LEU 8 Ca 0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 3lcz n LEU 8 Cb 0.43 0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 3lcz n LEU 8 CO 0.39 0.26 0.20 -1.83 -1.33 0.00 0.00 177.39 175.08 3lcz s GLU 9 N -2.58 0.93 0.11 3.23 -1.05 -0.68 -1.62 118.70 117.04 3lcz s GLU 9 Ca -0.07 -0.23 0.05 0.00 -0.15 0.00 0.00 54.97 54.57 3lcz s GLU 9 Cb 0.06 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 3lcz s GLU 9 CO 0.62 -0.31 -0.12 0.95 0.95 0.00 0.00 175.26 177.35 3lcz s THR 10 N -2.13 1.11 0.23 1.83 -4.23 0.58 -4.39 115.64 108.63 3lcz s THR 10 Ca -0.07 -1.65 -0.32 0.00 -1.18 0.00 0.00 61.69 58.47 3lcz s THR 10 Cb -0.01 -1.41 -0.13 0.00 1.34 0.00 0.00 72.50 72.29 3lcz s THR 10 CO 0.00 -0.48 1.52 0.41 -0.54 0.00 0.00 174.62 175.53 3lcz n THR 11 N 0.58 0.65 -2.00 3.99 -1.04 -1.26 0.15 114.28 115.36 3lcz n THR 11 Ca -0.16 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.05 61.27 3lcz n THR 11 Cb 0.57 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 67.41 3lcz n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lcz h PRO 13 N 6.72 0.00 -0.26 0.00 0.13 -1.90 0.16 132.00 136.85 3lcz h PRO 13 Ca -0.43 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.56 3lcz h PRO 13 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3lcz h PRO 13 CO 0.90 0.41 -0.42 -0.97 -0.23 0.00 0.00 178.00 177.69 3lcz h ASN 14 N 0.00 0.82 -0.06 1.44 -1.24 -1.98 -3.33 115.58 111.23 3lcz h ASN 14 Ca -0.00 -0.52 0.00 0.00 0.71 0.00 0.00 56.30 56.49 3lcz h ASN 14 Cb 0.94 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.76 3lcz h ASN 14 CO 0.05 1.18 0.00 0.00 -1.29 0.00 0.00 177.43 177.38 3lcz n ASN 16 N 0.26 -3.54 0.00 0.00 5.15 0.55 -1.83 115.26 115.85 3lcz n ASN 16 Ca 0.04 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 3lcz n ASN 16 Cb 0.21 -3.06 0.00 0.00 -0.53 0.00 0.00 39.78 36.40 3lcz n ASN 16 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3lcz n GLY 17 N -0.71 0.48 0.21 8.20 0.00 -1.17 -4.86 105.19 107.34 3lcz n GLY 17 Ca -0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.99 3lcz n GLY 17 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3lcz h SER 18 N 0.00 0.00 0.00 1.61 4.64 -1.63 -3.40 113.55 114.77 3lcz h SER 18 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3lcz h SER 18 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3lcz h SER 18 CO 0.00 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 3lcz n GLY 19 N 1.02 0.47 3.18 -0.77 0.00 -1.26 -4.84 105.19 102.98 3lcz n GLY 19 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 3lcz n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lcz s ARG 20 N -0.46 1.52 -0.51 1.61 1.81 -1.26 -0.07 118.95 121.60 3lcz s ARG 20 Ca 0.00 -0.65 0.04 0.00 -1.72 0.00 0.00 55.73 53.39 3lcz s ARG 20 Cb 0.00 -1.45 0.16 0.00 -0.45 0.00 0.00 34.95 33.21 3lcz s ARG 20 CO 0.00 0.38 0.36 -2.00 -0.68 0.00 0.00 175.30 173.37 3lcz s GLU 21 N -0.39 1.47 0.23 3.54 2.12 0.08 -4.45 118.70 121.30 3lcz s GLU 21 Ca 0.06 -2.46 -0.30 0.00 0.36 0.00 0.00 54.97 52.63 3lcz s GLU 21 Cb -0.07 -2.25 -0.15 0.00 0.26 0.00 0.00 34.13 31.92 3lcz s GLU 21 CO -0.00 -1.30 1.02 0.39 -0.54 0.00 0.00 175.26 174.83 3lcz n GLU 22 N 2.76 1.13 -0.30 4.30 -0.58 -1.26 -1.06 120.64 125.63 3lcz n GLU 22 Ca 0.21 0.40 0.04 0.00 -0.42 0.00 0.00 57.16 57.39 3lcz n GLU 22 Cb 0.40 -1.79 0.16 0.00 -0.57 0.00 0.00 31.44 29.65 3lcz n GLU 22 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3lcz n PRO 23 N 1.18 2.33 -4.55 3.49 -0.04 -1.26 -5.09 135.00 131.06 3lcz n PRO 23 Ca 0.13 -1.25 -0.26 0.00 -0.04 0.00 0.00 63.50 62.08 3lcz n PRO 23 Cb 0.28 -1.63 -0.11 0.00 -0.04 0.00 0.00 33.50 32.01 3lcz n PRO 23 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3lcz s GLU 24 N -1.69 1.84 0.92 0.54 2.56 -0.22 -5.11 118.70 117.54 3lcz s GLU 24 Ca 0.22 -1.96 -0.11 0.00 0.00 0.00 0.00 54.97 53.12 3lcz s GLU 24 Cb 0.15 -1.69 0.15 0.00 2.00 0.00 0.00 34.13 34.74 3lcz s GLU 24 CO 0.09 0.11 1.12 -2.14 -0.56 0.00 0.00 175.26 173.88 3lcz s PRO 25 N -3.63 1.02 0.07 4.30 0.02 -1.26 -0.74 135.00 134.78 3lcz s PRO 25 Ca 0.33 1.33 -0.31 0.00 0.02 0.00 0.00 61.00 62.37 3lcz s PRO 25 Cb 0.04 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.75 3lcz s PRO 25 CO 0.17 -2.56 1.35 0.00 -0.33 0.00 0.00 177.00 175.63 3lcz h PRO 27 N 7.11 0.00 -0.02 0.00 0.11 -1.90 -2.10 132.00 135.20 3lcz h PRO 27 Ca -0.41 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.50 3lcz h PRO 27 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3lcz h PRO 27 CO 0.86 0.52 -0.86 0.87 -0.21 0.00 0.00 178.00 179.19 3lcz h LYS 28 N 0.00 0.31 -0.17 1.05 1.79 -1.99 -3.22 116.57 114.34 3lcz h LYS 28 Ca -0.01 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 3lcz h LYS 28 Cb 1.02 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 3lcz h LYS 28 CO 0.07 1.00 0.00 0.00 -1.08 0.00 0.00 179.45 179.43 3lcz n LEU 30 N -0.49 -0.35 0.00 0.00 4.77 -0.91 -1.24 117.00 118.79 3lcz n LEU 30 Ca 0.14 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3lcz n LEU 30 Cb 0.60 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 3lcz n LEU 30 CO 0.07 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3lcz n GLY 31 N -2.13 2.73 0.14 -0.72 0.00 -0.84 -4.87 105.19 99.51 3lcz n GLY 31 Ca -0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.92 3lcz n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lcz h LYS 32 N 2.00 0.00 0.00 1.61 1.57 -1.44 -3.41 116.57 116.90 3lcz h LYS 32 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3lcz h LYS 32 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3lcz h LYS 32 CO 0.00 0.24 0.00 0.41 -0.57 0.00 0.00 179.45 179.53 3lcz n GLY 33 N 1.22 1.45 3.15 3.86 0.00 -1.26 -4.79 105.19 108.82 3lcz n GLY 33 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3lcz n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lcz s VAL 34 N -2.64 0.65 0.19 1.61 -7.23 -1.26 -0.91 120.40 110.82 3lcz s VAL 34 Ca 0.00 -1.78 0.10 0.00 -1.81 0.00 0.00 61.98 58.49 3lcz s VAL 34 Cb 0.00 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 3lcz s VAL 34 CO 0.00 -0.79 -0.21 0.27 -0.31 0.00 0.00 175.10 174.06 3lcz s ILE 35 N -3.23 2.16 0.37 -0.62 -4.36 0.12 -4.70 121.20 110.94 3lcz s ILE 35 Ca 0.08 -2.04 -0.25 0.00 -0.26 0.00 0.00 60.65 58.18 3lcz s ILE 35 Cb 0.03 -2.04 -0.10 0.00 1.25 0.00 0.00 42.46 41.60 3lcz s ILE 35 CO -0.04 -0.23 0.98 -0.76 0.24 0.00 0.00 174.94 175.13 3lcz s LEU 36 N -2.79 4.21 0.62 0.37 1.43 -1.26 -0.31 118.68 120.95 3lcz s LEU 36 Ca 0.20 1.89 -0.04 0.00 -1.03 0.00 0.00 54.13 55.15 3lcz s LEU 36 Cb -0.07 -4.15 0.04 0.00 0.03 0.00 0.00 46.19 42.03 3lcz s LEU 36 CO 0.09 -0.26 0.90 0.42 0.23 0.00 0.00 176.35 177.73 3lcz s THR 37 N -1.72 2.86 0.38 5.49 -4.23 -0.64 -4.83 115.64 112.95 3lcz s THR 37 Ca 0.55 -0.31 0.13 0.00 -1.18 0.00 0.00 61.69 60.88 3lcz s THR 37 Cb -0.18 -3.16 0.35 0.00 1.34 0.00 0.00 72.50 70.85 3lcz s THR 37 CO 0.24 -0.15 1.84 0.00 -0.54 0.00 0.00 174.62 176.01 3lcz h ALA 38 N -0.25 2.01 -0.30 3.99 0.00 -1.89 -0.63 119.26 122.18 3lcz h ALA 38 Ca -0.44 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 3lcz h ALA 38 Cb 1.29 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3lcz h ALA 38 CO 0.58 -0.31 -0.49 0.37 0.00 0.00 0.00 179.25 179.40 3lcz h GLN 39 N 0.55 0.87 -0.44 0.00 5.75 -1.89 -1.67 115.11 118.28 3lcz h GLN 39 Ca 0.49 -0.53 -0.09 0.00 -0.15 0.00 0.00 58.65 58.37 3lcz h GLN 39 Cb 1.02 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 3lcz h GLN 39 CO -0.23 1.17 -0.10 0.78 -2.65 0.00 0.00 178.83 177.80 3lcz h GLY 40 N 0.66 0.91 1.54 2.39 0.00 -1.48 -2.20 103.07 104.88 3lcz h GLY 40 Ca 0.02 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.51 3lcz h GLY 40 CO 0.11 0.68 -0.25 1.48 0.00 0.00 0.00 176.54 178.56 3lcz h SER 41 N 0.67 0.53 -0.03 0.19 4.64 -1.08 -0.76 113.55 117.71 3lcz h SER 41 Ca 0.11 -0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.27 3lcz h SER 41 Cb 0.63 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 3lcz h SER 41 CO 0.04 0.78 -0.08 0.74 -0.87 0.00 0.00 176.83 177.44 3lcz h THR 42 N 0.46 0.78 -0.31 2.95 2.02 -1.22 0.20 112.91 117.78 3lcz h THR 42 Ca 0.07 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 3lcz h THR 42 Cb 0.69 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3lcz h THR 42 CO 0.05 0.00 0.08 -0.07 0.37 0.00 0.00 175.52 175.95 3lcz h LEU 43 N -0.13 0.47 0.02 2.58 3.38 -1.30 -1.34 115.31 118.99 3lcz h LEU 43 Ca 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3lcz h LEU 43 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3lcz h LEU 43 CO -0.11 0.58 -0.01 0.25 0.09 0.00 0.00 178.44 179.24 3lcz h LEU 44 N 0.35 -0.02 -0.64 1.67 5.85 -1.01 -2.02 115.31 119.49 3lcz h LEU 44 Ca 0.10 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.82 3lcz h LEU 44 Cb 0.29 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 3lcz h LEU 44 CO 0.00 0.06 0.33 -0.74 -0.34 0.00 0.00 178.44 177.75 3lcz h HIS 45 N -0.09 0.60 -0.39 1.25 2.76 -0.57 -0.77 115.15 117.94 3lcz h HIS 45 Ca -0.00 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3lcz h HIS 45 Cb 0.09 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 3lcz h HIS 45 CO -0.05 0.26 0.24 0.35 -1.30 0.00 0.00 177.93 177.42 3lcz h PHE 46 N 0.60 0.50 -0.28 5.26 3.04 -1.12 0.80 116.94 125.75 3lcz h PHE 46 Ca 0.30 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.22 3lcz h PHE 46 Cb 0.24 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 3lcz h PHE 46 CO -0.10 0.35 0.06 0.82 -2.02 0.00 0.00 178.31 177.42 3lcz h ILE 47 N 0.51 1.22 -0.04 1.41 1.08 -0.84 -2.50 117.51 118.35 3lcz h ILE 47 Ca 0.14 -0.73 -0.07 0.00 -0.39 0.00 0.00 64.86 63.80 3lcz h ILE 47 Cb -0.01 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 3lcz h ILE 47 CO -0.03 0.24 -0.32 0.11 -0.69 0.00 0.00 178.15 177.46 3lcz h LYS 48 N 0.28 0.07 0.00 2.37 1.57 -1.00 0.15 116.57 120.01 3lcz h LYS 48 Ca 0.09 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3lcz h LYS 48 Cb 0.30 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3lcz h LYS 48 CO 0.00 0.39 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.69 3lcz h LYS 49 N 0.07 0.00 0.00 3.15 3.64 -0.53 -3.33 116.57 119.57 3lcz h LYS 49 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3lcz h LYS 49 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3lcz h LYS 49 CO 0.04 0.37 0.00 0.72 -2.27 0.00 0.00 179.45 178.31 3lcz n HIS 50 N -4.10 0.00 0.23 1.91 8.25 -0.97 -4.78 115.22 115.77 3lcz n HIS 50 Ca -0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.50 3lcz n HIS 50 Cb 0.40 0.00 0.53 0.00 1.12 0.00 0.00 29.99 32.04 3lcz n HIS 50 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 3lcz h ILE 51 N 0.10 1.07 -0.55 1.59 2.10 -0.82 -2.90 117.51 118.09 3lcz h ILE 51 Ca 0.00 -0.60 0.00 0.00 1.08 0.00 0.00 64.86 65.34 3lcz h ILE 51 Cb 0.05 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 3lcz h ILE 51 CO 0.00 0.17 0.00 1.41 -1.08 0.00 0.00 178.15 178.65 3lcz n HIS 52 N -4.25 0.74 0.00 2.19 8.25 -1.26 -5.13 115.22 115.76 3lcz n HIS 52 Ca -0.02 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 3lcz n HIS 52 Cb 0.24 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3lcz n HIS 52 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37