#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1og7 s TYR 2 N 0.00 3.12 0.00 5.64 6.14 -1.26 -1.68 117.35 129.31 1og7 s TYR 2 Ca 0.00 1.59 0.00 0.00 0.64 0.00 0.00 57.07 59.30 1og7 s TYR 2 Cb 0.00 -3.30 0.00 0.00 0.42 0.00 0.00 41.96 39.08 1og7 s TYR 2 CO 0.00 -1.10 0.00 0.66 0.64 0.00 0.00 175.55 175.75 1og7 n TYR 3 N -0.01 0.00 -1.48 4.97 4.02 -0.77 -4.95 117.16 118.95 1og7 n TYR 3 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1og7 n TYR 3 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 1og7 n TYR 3 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1og7 n GLY 4 N 2.69 -0.99 1.93 2.72 0.00 -1.22 -5.03 105.19 105.29 1og7 n GLY 4 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1og7 n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1og7 n ASN 5 N 3.00 0.00 -0.01 1.61 2.85 -1.26 -1.19 115.26 120.27 1og7 n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1og7 n ASN 5 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1og7 n ASN 5 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1og7 n GLY 6 N 0.00 -1.21 3.46 8.20 0.00 -1.26 -5.02 105.19 109.36 1og7 n GLY 6 Ca 0.00 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1og7 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1og7 s VAL 7 N -0.12 4.69 -0.42 1.61 0.11 -0.33 -3.98 120.40 121.95 1og7 s VAL 7 Ca 0.00 -0.34 0.10 0.00 -2.93 0.00 0.00 61.98 58.82 1og7 s VAL 7 Cb 0.00 -4.42 0.40 0.00 -1.53 0.00 0.00 36.38 30.83 1og7 s VAL 7 CO 0.00 -0.99 0.96 1.41 -3.33 0.00 0.00 175.10 173.15 1og7 n HIS 8 N 6.68 2.26 -1.56 1.54 8.25 -1.26 -1.84 115.22 129.29 1og7 n HIS 8 Ca -0.04 -3.32 -0.46 0.00 -0.26 0.00 0.00 57.72 53.64 1og7 n HIS 8 Cb 0.46 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 1og7 n HIS 8 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1og7 n GLY 10 N 5.93 0.19 0.51 0.00 0.00 -1.25 -0.72 105.19 109.85 1og7 n GLY 10 Ca 0.33 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 1og7 n GLY 10 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1og7 h LYS 11 N 0.00 -1.23 0.00 1.61 3.64 -2.01 -3.45 116.57 115.13 1og7 h LYS 11 Ca 0.00 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1og7 h LYS 11 Cb 0.00 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1og7 h LYS 11 CO 0.00 -0.82 -0.09 0.72 -2.27 0.00 0.00 179.45 176.99 1og7 n HIS 12 N -5.62 -0.98 -4.33 1.91 8.25 -1.26 -5.16 115.22 108.03 1og7 n HIS 12 Ca -0.16 0.17 -0.21 0.00 -0.26 0.00 0.00 57.72 57.26 1og7 n HIS 12 Cb 0.50 0.45 -0.08 0.00 1.12 0.00 0.00 29.99 31.99 1og7 n HIS 12 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1og7 s SER 13 N -5.07 1.96 -0.56 0.41 0.01 -1.26 -5.10 113.70 104.09 1og7 s SER 13 Ca 0.00 -1.77 -0.27 0.00 1.31 0.00 0.00 55.95 55.22 1og7 s SER 13 Cb 0.00 0.57 -0.03 0.00 0.21 0.00 0.00 66.02 66.77 1og7 s SER 13 CO 0.00 -1.06 1.96 0.00 0.41 0.00 0.00 173.24 174.55 1og7 h THR 15 N 7.03 0.63 -2.07 0.00 2.02 -1.83 -0.84 112.91 117.85 1og7 h THR 15 Ca -0.26 -0.16 -0.56 0.00 0.77 0.00 0.00 66.41 66.20 1og7 h THR 15 Cb 1.18 0.11 -0.38 0.00 -1.74 0.00 0.00 68.15 67.33 1og7 h THR 15 CO 1.19 0.09 -1.04 0.55 0.37 0.00 0.00 175.52 176.67 1og7 n VAL 16 N -4.60 -0.86 1.03 3.16 3.14 -1.26 -4.52 118.33 114.42 1og7 n VAL 16 Ca 0.22 -3.70 0.02 0.00 -2.96 0.00 0.00 64.34 57.92 1og7 n VAL 16 Cb 0.74 -1.73 0.09 0.00 -1.06 0.00 0.00 33.84 31.88 1og7 n VAL 16 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1og7 n ASP 17 N 1.94 1.50 -0.38 6.55 2.03 -0.32 -4.69 116.55 123.19 1og7 n ASP 17 Ca 0.24 -2.10 0.00 0.00 0.52 0.00 0.00 54.79 53.45 1og7 n ASP 17 Cb 0.51 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1og7 n ASP 17 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1og7 n TRP 18 N 0.09 0.00 0.29 -0.67 -0.00 -1.26 -4.21 117.44 111.68 1og7 n TRP 18 Ca 0.06 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.68 1og7 n TRP 18 Cb 0.30 -0.06 0.53 0.00 -0.00 0.00 0.00 31.31 32.08 1og7 n TRP 18 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1og7 n GLY 19 N 0.15 -1.08 0.30 -1.67 0.00 -1.26 -0.44 105.19 101.19 1og7 n GLY 19 Ca 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1og7 n GLY 19 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1og7 h THR 20 N 0.00 1.26 0.58 2.61 1.35 -1.98 -1.90 112.91 114.82 1og7 h THR 20 Ca 0.00 -1.02 -0.03 0.00 -0.55 0.00 0.00 66.41 64.81 1og7 h THR 20 Cb 0.20 0.71 0.01 0.00 -1.73 0.00 0.00 68.15 67.33 1og7 h THR 20 CO 0.00 0.38 -0.28 0.00 -0.25 0.00 0.00 175.52 175.37 1og7 h ALA 21 N 1.03 -0.93 -0.82 6.62 0.00 -1.10 -0.73 119.26 123.32 1og7 h ALA 21 Ca 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1og7 h ALA 21 Cb 0.44 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1og7 h ALA 21 CO 0.01 -0.88 0.50 -0.84 0.00 0.00 0.00 179.25 178.05 1og7 h ILE 22 N -0.99 1.23 -0.11 0.00 3.07 -1.65 -1.44 117.51 117.61 1og7 h ILE 22 Ca -0.08 -0.49 0.04 0.00 1.55 0.00 0.00 64.86 65.88 1og7 h ILE 22 Cb 0.59 0.07 -0.06 0.00 -0.27 0.00 0.00 36.82 37.15 1og7 h ILE 22 CO 0.13 0.24 -0.37 1.23 -1.05 0.00 0.00 178.15 178.33 1og7 h GLY 23 N 1.13 -0.57 0.81 0.16 0.00 -1.42 -0.69 103.07 102.49 1og7 h GLY 23 Ca 0.30 0.45 0.02 0.00 0.00 0.00 0.00 47.33 48.10 1og7 h GLY 23 CO -0.06 -0.23 -0.02 -0.57 0.00 0.00 0.00 176.54 175.67 1og7 h ASN 24 N -0.45 -0.08 -0.34 0.19 -0.73 -0.90 -1.87 115.58 111.40 1og7 h ASN 24 Ca 0.08 0.03 0.06 0.00 1.87 0.00 0.00 56.30 58.34 1og7 h ASN 24 Cb 0.59 0.06 -0.05 0.00 0.27 0.00 0.00 38.32 39.19 1og7 h ASN 24 CO -0.36 -0.02 0.04 0.40 -0.37 0.00 0.00 177.43 177.11 1og7 h ILE 25 N 0.02 0.79 0.00 2.57 2.04 -1.14 0.77 117.51 122.56 1og7 h ILE 25 Ca 0.05 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1og7 h ILE 25 Cb 0.07 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1og7 h ILE 25 CO -0.10 0.03 0.00 1.23 0.00 0.00 0.00 178.15 179.31 1og7 h GLY 26 N 0.14 0.00 0.00 5.37 0.00 -0.95 -1.83 103.07 105.80 1og7 h GLY 26 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1og7 h GLY 26 CO -0.24 0.00 -1.20 0.70 0.00 0.00 0.00 176.54 175.80 1og7 n ASN 27 N -2.41 2.12 -0.08 0.19 3.02 -0.70 -1.71 115.26 115.70 1og7 n ASN 27 Ca 0.01 -0.19 -0.07 0.00 -0.03 0.00 0.00 54.58 54.30 1og7 n ASN 27 Cb 0.19 1.34 -0.00 0.00 -0.61 0.00 0.00 39.78 40.69 1og7 n ASN 27 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 1og7 h ASN 28 N 0.00 -0.08 -0.24 6.41 -1.24 -0.88 -1.65 115.58 117.90 1og7 h ASN 28 Ca 0.00 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 1og7 h ASN 28 Cb 0.40 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 1og7 h ASN 28 CO 0.00 -0.01 0.13 0.00 -1.29 0.00 0.00 177.43 176.26 1og7 h ALA 29 N 1.24 1.73 0.00 1.57 0.00 -1.39 -2.09 119.26 120.32 1og7 h ALA 29 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1og7 h ALA 29 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1og7 h ALA 29 CO -0.22 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1og7 n ALA 30 N -2.49 2.05 -0.11 0.00 0.00 -0.69 -0.56 120.51 118.70 1og7 n ALA 30 Ca 0.01 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1og7 n ALA 30 Cb 0.11 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 1og7 n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1og7 h ALA 31 N 2.79 0.46 0.00 0.00 0.00 -0.61 -3.32 119.26 118.58 1og7 h ALA 31 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1og7 h ALA 31 Cb 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1og7 h ALA 31 CO 0.00 0.34 -0.01 -0.97 0.00 0.00 0.00 179.25 178.61 1og7 h ASN 32 N 0.44 0.00 -0.83 0.00 -0.73 -0.70 -0.03 115.58 113.73 1og7 h ASN 32 Ca 0.08 0.00 0.16 0.00 1.87 0.00 0.00 56.30 58.41 1og7 h ASN 32 Cb 0.64 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 39.07 1og7 h ASN 32 CO 0.04 0.01 -0.23 -0.50 -0.37 0.00 0.00 177.43 176.38 1og7 h TRP 33 N 0.00 -0.51 0.00 0.67 -0.00 -0.93 -0.23 115.95 114.96 1og7 h TRP 33 Ca -0.00 0.08 0.00 0.00 -0.00 0.00 0.00 58.89 58.97 1og7 h TRP 33 Cb 0.41 0.35 0.00 0.00 -0.00 0.00 0.00 29.16 29.92 1og7 h TRP 33 CO 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 178.44 178.08 1og7 n ALA 34 N -3.37 0.00 -0.08 1.49 0.00 -1.18 -4.60 120.51 112.77 1og7 n ALA 34 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1og7 n ALA 34 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 1og7 n ALA 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1og7 n THR 35 N 0.00 0.87 -0.05 0.00 -1.04 -0.09 -4.43 114.28 109.54 1og7 n THR 35 Ca 0.00 -0.28 -0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1og7 n THR 35 Cb 0.00 -1.35 -0.00 0.00 -1.82 0.00 0.00 70.33 67.16 1og7 n THR 35 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1og7 h GLY 36 N 0.35 0.00 1.43 3.41 0.00 -1.52 -3.35 103.07 103.39 1og7 h GLY 36 Ca -0.37 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.00 1og7 h GLY 36 CO -0.14 0.00 0.30 -1.33 0.00 0.00 0.00 176.54 175.37 1og7 h GLY 37 N -0.90 0.53 1.77 4.60 0.00 -1.28 -2.26 103.07 105.53 1og7 h GLY 37 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1og7 h GLY 37 CO 0.00 0.16 0.13 -0.57 0.00 0.00 0.00 176.54 176.25 1og7 h ASN 38 N 0.46 0.18 0.15 0.19 -0.73 -1.77 -1.36 115.58 112.70 1og7 h ASN 38 Ca 0.18 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.35 1og7 h ASN 38 Cb 0.16 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1og7 h ASN 38 CO -0.05 0.12 0.00 0.00 -0.37 0.00 0.00 177.43 177.14 1og7 n ALA 39 N -2.52 2.41 -1.98 1.57 0.00 -0.85 -4.92 120.51 114.21 1og7 n ALA 39 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 1og7 n ALA 39 Cb 0.12 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.17 1og7 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1og7 n GLY 40 N 0.70 0.27 3.67 0.00 0.00 -0.51 -5.03 105.19 104.28 1og7 n GLY 40 Ca 0.17 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1og7 n GLY 40 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1og7 n TRP 41 N -1.92 1.09 -4.01 1.61 -0.00 -1.25 -5.04 117.44 107.93 1og7 n TRP 41 Ca -0.02 0.40 -0.10 0.00 -0.00 0.00 0.00 57.50 57.78 1og7 n TRP 41 Cb 0.53 -2.10 -0.07 0.00 -0.00 0.00 0.00 31.31 29.67 1og7 n TRP 41 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1og7 s ASN 42 N -1.94 -0.00 0.00 5.87 4.22 -1.26 -5.04 114.94 116.79 1og7 s ASN 42 Ca 0.74 -0.97 0.08 0.00 -2.14 0.00 0.00 52.86 50.57 1og7 s ASN 42 Cb -0.31 0.49 0.48 0.00 1.28 0.00 0.00 41.25 43.19 1og7 s ASN 42 CO 0.50 -0.98 0.93 0.29 -2.04 0.00 0.00 177.10 175.80