#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1og7 n TYR 2 N 0.00 0.00 0.00 5.64 0.18 -1.26 -4.90 117.16 116.82 1og7 n TYR 2 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1og7 n TYR 2 Cb 0.00 -0.38 0.00 0.00 -0.38 0.00 0.00 39.34 38.58 1og7 n TYR 2 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1og7 n TYR 3 N -1.38 0.00 0.00 -3.48 4.01 -1.26 -1.76 117.16 113.29 1og7 n TYR 3 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1og7 n TYR 3 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1og7 n TYR 3 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1og7 n GLY 4 N 0.00 2.32 2.98 2.72 0.00 -0.03 -5.00 105.19 108.18 1og7 n GLY 4 Ca 0.00 -2.09 -0.18 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 -2.94 -1.08 1.61 5.15 -1.26 -1.72 115.26 115.02 1og7 n ASN 5 Ca 0.00 -0.41 0.08 0.00 -0.60 0.00 0.00 54.58 53.65 1og7 n ASN 5 Cb 0.00 -0.93 0.27 0.00 -0.53 0.00 0.00 39.78 38.59 1og7 n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1og7 n GLY 6 N -0.79 3.35 3.65 8.20 0.00 -0.99 -4.34 105.19 114.27 1og7 n GLY 6 Ca -0.14 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1og7 n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1og7 s VAL 7 N -2.16 3.06 -0.57 1.61 1.01 -0.70 -4.61 120.40 118.05 1og7 s VAL 7 Ca 0.41 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.50 1og7 s VAL 7 Cb 0.29 -3.05 0.17 0.00 0.00 0.00 0.00 36.38 33.79 1og7 s VAL 7 CO 0.15 -0.01 0.41 -1.00 0.00 0.00 0.00 175.10 174.65 1og7 s HIS 8 N 4.80 2.46 -0.80 5.22 3.76 -1.24 -0.85 115.29 128.64 1og7 s HIS 8 Ca 0.88 -2.86 -0.25 0.00 -0.15 0.00 0.00 55.06 52.68 1og7 s HIS 8 Cb -0.41 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.31 1og7 s HIS 8 CO 0.40 -0.68 1.85 0.00 -0.85 0.00 0.00 174.74 175.46 1og7 n GLY 10 N 6.38 1.88 0.29 0.00 0.00 -1.26 -4.43 105.19 108.05 1og7 n GLY 10 Ca 0.31 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.99 1og7 n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1og7 h LYS 11 N 0.00 0.39 -0.27 1.61 1.57 -1.96 -3.29 116.57 114.62 1og7 h LYS 11 Ca 0.00 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.53 1og7 h LYS 11 Cb 0.00 -0.08 -0.36 0.00 0.08 0.00 0.00 32.23 31.87 1og7 h LYS 11 CO 0.00 0.30 -0.97 1.58 -0.57 0.00 0.00 179.45 179.79 1og7 n HIS 12 N -4.45 0.54 -4.35 -1.35 -0.00 -1.03 -5.05 115.22 99.54 1og7 n HIS 12 Ca 0.01 -1.67 -0.34 0.00 -0.00 0.00 0.00 57.72 55.73 1og7 n HIS 12 Cb 0.10 0.03 -0.09 0.00 -0.00 0.00 0.00 29.99 30.03 1og7 n HIS 12 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1og7 n SER 13 N -0.45 0.06 -2.13 0.26 7.64 -1.02 -3.30 113.62 114.68 1og7 n SER 13 Ca 0.02 -1.24 -0.02 0.00 1.01 0.00 0.00 58.87 58.64 1og7 n SER 13 Cb 0.88 -1.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1og7 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1og7 n THR 15 N -0.93 0.00 -3.40 0.00 -1.04 -1.21 -4.84 114.28 102.86 1og7 n THR 15 Ca 0.02 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.05 61.58 1og7 n THR 15 Cb 0.37 -0.96 0.02 0.00 -1.82 0.00 0.00 70.33 67.94 1og7 n THR 15 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1og7 n VAL 16 N -5.28 0.00 0.19 12.58 0.24 -1.26 -4.29 118.33 120.51 1og7 n VAL 16 Ca 0.06 -1.26 0.18 0.00 -2.04 0.00 0.00 64.34 61.28 1og7 n VAL 16 Cb 0.56 -0.44 0.80 0.00 -1.47 0.00 0.00 33.84 33.29 1og7 n VAL 16 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1og7 h ASP 17 N 0.24 0.00 0.00 -1.34 3.58 -1.89 -2.59 116.42 114.42 1og7 h ASP 17 Ca -0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1og7 h ASP 17 Cb 0.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1og7 h ASP 17 CO 0.29 0.00 0.00 -2.67 -2.88 0.00 0.00 179.24 173.98 1og7 n TRP 18 N -3.52 0.00 0.26 0.28 -0.00 -1.26 -3.93 117.44 109.27 1og7 n TRP 18 Ca 0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.65 1og7 n TRP 18 Cb 0.47 -0.01 0.58 0.00 -0.00 0.00 0.00 31.31 32.34 1og7 n TRP 18 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1og7 h GLY 19 N 4.82 0.00 0.97 -1.67 0.00 -1.90 0.33 103.07 105.62 1og7 h GLY 19 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1og7 h GLY 19 CO 0.00 0.00 0.10 -0.91 0.00 0.00 0.00 176.54 175.73 1og7 h THR 20 N 0.00 1.24 0.53 4.70 1.35 -1.95 -1.63 112.91 117.16 1og7 h THR 20 Ca 0.00 -0.87 -0.03 0.00 -0.55 0.00 0.00 66.41 64.96 1og7 h THR 20 Cb 0.15 0.90 0.01 0.00 -1.73 0.00 0.00 68.15 67.48 1og7 h THR 20 CO 0.00 0.31 -0.25 0.00 -0.25 0.00 0.00 175.52 175.33 1og7 h ALA 21 N 0.97 -1.16 -0.81 6.62 0.00 -1.26 -0.74 119.26 122.88 1og7 h ALA 21 Ca 0.15 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1og7 h ALA 21 Cb 0.36 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1og7 h ALA 21 CO 0.01 -1.11 0.54 -0.84 0.00 0.00 0.00 179.25 177.84 1og7 h ILE 22 N -0.73 1.14 0.01 0.00 3.07 -1.65 -1.12 117.51 118.22 1og7 h ILE 22 Ca -0.07 -0.35 0.01 0.00 1.55 0.00 0.00 64.86 66.00 1og7 h ILE 22 Cb 0.55 0.04 -0.04 0.00 -0.27 0.00 0.00 36.82 37.09 1og7 h ILE 22 CO 0.12 0.18 -0.40 1.23 -1.05 0.00 0.00 178.15 178.23 1og7 h GLY 23 N 1.01 -1.20 0.94 0.16 0.00 -1.27 0.31 103.07 103.02 1og7 h GLY 23 Ca 0.32 0.65 -0.00 0.00 0.00 0.00 0.00 47.33 48.30 1og7 h GLY 23 CO -0.09 -0.31 0.06 3.43 0.00 0.00 0.00 176.54 179.63 1og7 h ASN 24 N -0.51 0.13 -0.11 0.19 2.35 -0.91 -2.23 115.58 114.48 1og7 h ASN 24 Ca 0.01 -0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1og7 h ASN 24 Cb 0.55 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.83 1og7 h ASN 24 CO -0.27 0.17 -0.19 0.40 -1.65 0.00 0.00 177.43 175.89 1og7 h ILE 25 N 0.08 0.52 0.00 2.81 2.04 -1.19 -0.90 117.51 120.87 1og7 h ILE 25 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1og7 h ILE 25 Cb 0.07 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1og7 h ILE 25 CO -0.01 0.00 -0.09 1.23 0.00 0.00 0.00 178.15 179.28 1og7 h GLY 26 N -0.25 0.00 0.03 5.37 0.00 -0.89 -0.71 103.07 106.63 1og7 h GLY 26 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1og7 h GLY 26 CO -0.26 0.00 -1.93 0.70 0.00 0.00 0.00 176.54 175.06 1og7 n ASN 27 N -3.51 0.07 -0.13 0.19 3.02 -0.85 -1.92 115.26 112.13 1og7 n ASN 27 Ca -0.02 -0.03 -0.11 0.00 -0.03 0.00 0.00 54.58 54.40 1og7 n ASN 27 Cb 0.23 1.91 -0.02 0.00 -0.61 0.00 0.00 39.78 41.29 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 0.67 -0.79 6.41 -0.73 -1.10 -1.43 115.58 118.61 1og7 h ASN 28 Ca 0.00 -0.33 0.08 0.00 1.87 0.00 0.00 56.30 57.92 1og7 h ASN 28 Cb 0.98 -0.18 -0.05 0.00 0.27 0.00 0.00 38.32 39.34 1og7 h ASN 28 CO 0.00 0.84 0.51 0.00 -0.37 0.00 0.00 177.43 178.42 1og7 h ALA 29 N 0.85 1.71 -0.00 1.57 0.00 -1.20 -1.99 119.26 120.19 1og7 h ALA 29 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1og7 h ALA 29 Cb 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1og7 h ALA 29 CO 0.03 0.15 -0.21 0.00 0.00 0.00 0.00 179.25 179.22 1og7 n ALA 30 N -2.44 2.86 0.22 0.00 0.00 -0.81 -0.09 120.51 120.26 1og7 n ALA 30 Ca 0.12 -0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.43 1og7 n ALA 30 Cb 0.28 -1.32 0.51 0.00 0.00 0.00 0.00 19.45 18.92 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 3.10 1.13 -0.46 0.00 0.00 -0.52 -3.18 119.26 119.33 1og7 h ALA 31 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1og7 h ALA 31 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1og7 h ALA 31 CO 0.00 0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.64 1og7 n ASN 32 N -3.57 3.53 -0.32 0.00 3.02 -0.53 -4.68 115.26 112.71 1og7 n ASN 32 Ca -0.01 -1.98 0.17 0.00 -0.03 0.00 0.00 54.58 52.73 1og7 n ASN 32 Cb 0.38 -0.30 0.36 0.00 -0.61 0.00 0.00 39.78 39.61 1og7 n ASN 32 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1og7 h TRP 33 N 4.26 0.67 -0.01 3.10 -0.00 -0.48 0.16 115.95 123.65 1og7 h TRP 33 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1og7 h TRP 33 Cb 0.96 -0.14 0.00 0.00 -0.00 0.00 0.00 29.16 29.98 1og7 h TRP 33 CO 0.30 -0.13 -0.17 0.00 -0.00 0.00 0.00 178.44 178.44 1og7 n ALA 34 N -2.49 2.89 -0.92 2.65 0.00 -1.26 -1.55 120.51 119.84 1og7 n ALA 34 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1og7 n ALA 34 Cb 0.77 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.74 0.00 -0.14 0.00 -1.04 0.36 -4.61 114.28 108.11 1og7 n THR 35 Ca 0.14 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.03 1og7 n THR 35 Cb 0.31 -0.42 -0.02 0.00 -1.82 0.00 0.00 70.33 68.39 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 0.00 0.89 2.00 3.41 0.00 -1.30 -1.88 103.07 106.19 1og7 h GLY 36 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 1og7 h GLY 36 CO 0.00 0.69 -0.15 -1.33 0.00 0.00 0.00 176.54 175.75 1og7 h GLY 37 N 0.63 0.00 2.00 4.60 0.00 -1.09 0.49 103.07 109.70 1og7 h GLY 37 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.26 1og7 h GLY 37 CO 0.05 0.00 -0.83 -0.57 0.00 0.00 0.00 176.54 175.19 1og7 h ASN 38 N 0.00 0.00 0.46 0.19 -0.73 -1.07 -3.36 115.58 111.07 1og7 h ASN 38 Ca -0.00 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.89 1og7 h ASN 38 Cb 0.32 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.86 1og7 h ASN 38 CO 0.02 0.83 -1.75 0.00 -0.37 0.00 0.00 177.43 176.16 1og7 n ALA 39 N -2.36 1.56 0.00 1.57 0.00 -0.72 -4.97 120.51 115.59 1og7 n ALA 39 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1og7 n ALA 39 Cb 0.82 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 1.55 0.00 2.92 0.00 0.00 -0.24 -5.08 105.19 104.35 1og7 n GLY 40 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 2.55 -1.53 1.61 -0.00 -0.00 -4.95 117.44 115.12 1og7 n TRP 41 Ca 0.00 -2.31 -0.30 0.00 -0.00 0.00 0.00 57.50 54.89 1og7 n TRP 41 Cb 0.00 -2.07 0.10 0.00 -0.00 0.00 0.00 31.31 29.34 1og7 n TRP 41 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1og7 s ASN 42 N 4.18 4.36 0.00 5.87 2.47 -1.26 -4.50 114.94 126.05 1og7 s ASN 42 Ca 0.53 1.29 0.05 0.00 0.42 0.00 0.00 52.86 55.15 1og7 s ASN 42 Cb 0.14 -2.01 0.30 0.00 -1.45 0.00 0.00 41.25 38.22 1og7 s ASN 42 CO 0.03 -2.05 0.77 0.29 -3.72 0.00 0.00 177.10 172.41