#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p0a s LYS 2 N 0.00 3.43 0.03 -1.24 2.20 -0.18 -4.88 119.74 119.09 1p0a s LYS 2 Ca 0.00 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.65 1p0a s LYS 2 Cb 0.00 -2.70 -0.05 0.00 -1.51 0.00 0.00 37.83 33.57 1p0a s LYS 2 CO 0.00 0.20 1.27 -1.17 -0.36 0.00 0.00 175.35 175.29 1p0a s LEU 3 N 0.41 4.34 0.00 5.43 2.96 -1.26 -0.83 118.68 129.72 1p0a s LEU 3 Ca -0.09 2.03 0.00 0.00 -0.22 0.00 0.00 54.13 55.85 1p0a s LEU 3 Cb -0.16 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1p0a s LEU 3 CO 0.05 -0.58 0.00 2.30 -1.32 0.00 0.00 176.35 176.80 1p0a n ILE 4 N 4.27 0.00 -3.00 6.68 -5.35 -1.09 -4.97 119.36 115.90 1p0a n ILE 4 Ca 0.11 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 1p0a n ILE 4 Cb 0.45 -0.82 0.00 0.00 -1.74 0.00 0.00 39.64 37.53 1p0a n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p0a n GLY 5 N 3.17 0.76 3.66 3.28 0.00 -1.24 -5.04 105.19 109.78 1p0a n GLY 5 Ca 0.00 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 1p0a n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p0a s SER 6 N 1.92 5.46 0.00 1.61 0.15 -0.18 0.41 113.70 123.07 1p0a s SER 6 Ca 0.00 0.13 0.27 0.00 0.70 0.00 0.00 55.95 57.04 1p0a s SER 6 Cb 0.00 -1.77 0.80 0.00 -1.71 0.00 0.00 66.02 63.34 1p0a s SER 6 CO 0.00 0.28 1.60 0.00 1.20 0.00 0.00 173.24 176.32 1p0a s VAL 8 N -1.99 5.04 -1.19 0.00 1.01 -1.25 -4.84 120.40 117.18 1p0a s VAL 8 Ca 0.35 1.36 -0.11 0.00 0.00 0.00 0.00 61.98 63.58 1p0a s VAL 8 Cb 0.21 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1p0a s VAL 8 CO 0.32 0.28 2.36 1.87 0.00 0.00 0.00 175.10 179.93 1p0a n TRP 9 N 3.62 2.11 0.00 5.22 -0.00 -1.26 -3.62 117.44 123.51 1p0a n TRP 9 Ca -0.03 -2.44 0.00 0.00 -0.00 0.00 0.00 57.50 55.03 1p0a n TRP 9 Cb 0.51 -2.07 0.00 0.00 -0.00 0.00 0.00 31.31 29.76 1p0a n TRP 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1p0a n GLY 10 N 3.89 -0.63 3.45 5.87 0.00 -1.26 -5.17 105.19 111.33 1p0a n GLY 10 Ca 0.57 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.73 1p0a n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p0a s ALA 11 N 0.00 -1.67 0.23 4.61 0.00 -1.24 -5.14 121.76 118.55 1p0a s ALA 11 Ca 0.00 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 1p0a s ALA 11 Cb 0.00 0.74 -0.10 0.00 0.00 0.00 0.00 23.12 23.76 1p0a s ALA 11 CO 0.00 -0.74 1.45 0.08 0.00 0.00 0.00 175.76 176.54 1p0a s VAL 12 N -3.54 2.70 -0.78 0.00 1.01 -1.26 -3.40 120.40 115.12 1p0a s VAL 12 Ca 0.02 0.57 -0.03 0.00 0.00 0.00 0.00 61.98 62.54 1p0a s VAL 12 Cb -0.01 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1p0a s VAL 12 CO -0.12 0.08 0.68 -3.20 0.00 0.00 0.00 175.10 172.55 1p0a n ASN 13 N 2.58 -4.57 -4.75 3.32 5.15 -1.26 -4.40 115.26 111.34 1p0a n ASN 13 Ca 0.08 -0.50 -0.40 0.00 -0.60 0.00 0.00 54.58 53.16 1p0a n ASN 13 Cb 0.40 -3.89 -0.05 0.00 -0.53 0.00 0.00 39.78 35.71 1p0a n ASN 13 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1p0a s TYR 14 N -3.28 3.70 -0.14 1.20 5.04 -1.22 -1.01 117.35 121.63 1p0a s TYR 14 Ca 0.25 1.75 -0.06 0.00 -2.44 0.00 0.00 57.07 56.57 1p0a s TYR 14 Cb -0.03 -3.20 0.06 0.00 0.35 0.00 0.00 41.96 39.14 1p0a s TYR 14 CO 0.53 -0.27 0.31 0.99 -1.34 0.00 0.00 175.55 175.77 1p0a s THR 15 N -1.03 -0.26 -0.19 4.34 2.01 0.10 -4.85 115.64 115.76 1p0a s THR 15 Ca 0.44 0.18 -0.08 0.00 0.31 0.00 0.00 61.69 62.54 1p0a s THR 15 Cb -0.30 -0.50 -0.08 0.00 0.01 0.00 0.00 72.50 71.63 1p0a s THR 15 CO 0.38 0.08 -0.24 -0.24 -0.69 0.00 0.00 174.62 173.91 1p0a n SER 16 N 4.79 1.46 -2.24 3.53 2.88 -1.26 -3.88 113.62 118.89 1p0a n SER 16 Ca -0.16 0.20 -0.18 0.00 -1.33 0.00 0.00 58.87 57.40 1p0a n SER 16 Cb 0.52 -0.53 -0.13 0.00 -0.75 0.00 0.00 64.21 63.32 1p0a n SER 16 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1p0a n ASN 17 N -3.77 5.84 -0.10 -3.46 4.13 -1.26 -4.55 115.26 112.09 1p0a n ASN 17 Ca -0.37 -2.70 -0.09 0.00 1.68 0.00 0.00 54.58 53.10 1p0a n ASN 17 Cb 0.77 -1.37 -0.02 0.00 -1.54 0.00 0.00 39.78 37.62 1p0a n ASN 17 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p0a h ASN 19 N 0.41 0.10 -0.46 0.00 -0.73 -1.83 0.69 115.58 113.75 1p0a h ASN 19 Ca 0.12 0.12 0.05 0.00 1.87 0.00 0.00 56.30 58.45 1p0a h ASN 19 Cb 0.09 0.15 -0.04 0.00 0.27 0.00 0.00 38.32 38.78 1p0a h ASN 19 CO -0.02 0.02 0.21 0.00 -0.37 0.00 0.00 177.43 177.28 1p0a h ALA 20 N 1.55 0.58 -0.10 1.57 0.00 -1.89 0.22 119.26 121.20 1p0a h ALA 20 Ca 0.39 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 55.12 1p0a h ALA 20 Cb 0.61 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1p0a h ALA 20 CO -0.44 -0.15 -0.76 1.49 0.00 0.00 0.00 179.25 179.38 1p0a h GLU 21 N 0.43 0.69 -0.28 0.00 4.81 -1.08 -0.98 114.58 118.16 1p0a h GLU 21 Ca 0.21 -0.61 0.03 0.00 -0.13 0.00 0.00 59.36 58.86 1p0a h GLU 21 Cb 0.14 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1p0a h GLU 21 CO -0.16 1.22 0.09 0.00 -0.73 0.00 0.00 179.01 179.42 1p0a h LYS 23 N 0.21 1.14 0.01 0.00 3.64 -0.61 -0.75 116.57 120.21 1p0a h LYS 23 Ca 0.13 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1p0a h LYS 23 Cb 0.11 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1p0a h LYS 23 CO -0.14 1.00 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.94 1p0a h ARG 24 N 1.08 -0.02 -0.93 1.90 2.43 -0.34 -2.46 114.38 116.04 1p0a h ARG 24 Ca 0.22 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.44 1p0a h ARG 24 Cb 0.38 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 1p0a h ARG 24 CO 0.00 -0.01 0.61 0.00 -1.51 0.00 0.00 179.97 179.06 1p0a h ARG 25 N -0.02 1.09 0.00 0.20 3.08 -0.52 -3.46 114.38 114.74 1p0a h ARG 25 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1p0a h ARG 25 Cb 0.02 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1p0a h ARG 25 CO 0.00 0.72 0.00 0.41 -1.07 0.00 0.00 179.97 180.03 1p0a n GLY 26 N -1.39 1.78 1.14 0.04 0.00 -0.85 -5.11 105.19 100.80 1p0a n GLY 26 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1p0a n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p0a n TYR 27 N -0.00 -3.54 -0.09 1.61 4.02 -0.34 -5.00 117.16 113.82 1p0a n TYR 27 Ca 0.00 -0.45 -0.13 0.00 -0.01 0.00 0.00 57.90 57.30 1p0a n TYR 27 Cb 0.00 -0.25 -0.05 0.00 -0.02 0.00 0.00 39.34 39.02 1p0a n TYR 27 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1p0a h LYS 28 N 0.00 0.65 0.00 -0.72 1.79 -1.71 -3.44 116.57 113.15 1p0a h LYS 28 Ca -0.11 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1p0a h LYS 28 Cb 0.36 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1p0a h LYS 28 CO 0.10 0.96 0.00 0.41 -1.08 0.00 0.00 179.45 179.84 1p0a n GLY 29 N 0.19 -0.80 3.61 3.86 0.00 -1.21 -4.97 105.19 105.86 1p0a n GLY 29 Ca -0.04 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1p0a n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p0a s GLY 30 N 0.00 -0.44 0.00 -0.02 0.00 -1.26 -0.86 107.32 104.74 1p0a s GLY 30 Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 44.72 46.75 1p0a s GLY 30 CO 0.00 1.55 0.92 -2.39 0.00 0.00 0.00 173.10 173.18 1p0a n HIS 31 N 2.07 0.00 0.00 1.90 1.44 -1.22 -4.66 115.22 114.75 1p0a n HIS 31 Ca -0.14 -0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 1p0a n HIS 31 Cb 0.56 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.67 1p0a n HIS 31 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1p0a s GLY 33 N 0.00 0.29 -0.34 0.00 0.00 -1.25 -1.39 107.32 104.63 1p0a s GLY 33 Ca 0.00 3.67 0.11 0.00 0.00 0.00 0.00 44.72 48.50 1p0a s GLY 33 CO 0.00 3.43 1.41 -1.26 0.00 0.00 0.00 173.10 176.68 1p0a n SER 34 N 4.58 -1.52 -3.08 1.64 2.88 -1.20 -4.68 113.62 112.23 1p0a n SER 34 Ca -0.06 -2.21 -0.16 0.00 -1.33 0.00 0.00 58.87 55.10 1p0a n SER 34 Cb 0.56 0.77 -0.04 0.00 -0.75 0.00 0.00 64.21 64.74 1p0a n SER 34 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1p0a n PHE 35 N -1.12 -2.24 -2.96 0.66 7.35 -1.26 -4.90 117.46 112.99 1p0a n PHE 35 Ca -0.12 -2.44 -0.22 0.00 -0.76 0.00 0.00 57.45 53.91 1p0a n PHE 35 Cb 0.84 0.80 0.03 0.00 0.35 0.00 0.00 39.48 41.51 1p0a n PHE 35 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1p0a n LEU 36 N 2.72 -2.64 -3.64 -2.13 4.77 -1.26 -4.96 117.00 109.86 1p0a n LEU 36 Ca 0.23 -0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 55.89 1p0a n LEU 36 Cb 0.52 -3.00 -0.07 0.00 -2.33 0.00 0.00 43.42 38.55 1p0a n LEU 36 CO 0.04 0.19 0.65 0.21 -1.33 0.00 0.00 177.39 177.16 1p0a s ASN 37 N -2.65 -0.55 -0.02 -1.43 3.84 -1.26 -5.05 114.94 107.83 1p0a s ASN 37 Ca 0.28 0.95 0.21 0.00 0.21 0.00 0.00 52.86 54.51 1p0a s ASN 37 Cb -0.12 1.12 -0.27 0.00 -0.55 0.00 0.00 41.25 41.43 1p0a s ASN 37 CO 0.34 -0.16 0.52 1.33 -2.79 0.00 0.00 177.10 176.35 1p0a n VAL 38 N 3.17 0.37 -1.36 -5.21 0.24 -1.26 -3.28 118.33 111.00 1p0a n VAL 38 Ca -0.16 -0.57 -0.33 0.00 -2.04 0.00 0.00 64.34 61.24 1p0a n VAL 38 Cb 0.57 -0.16 0.09 0.00 -1.47 0.00 0.00 33.84 32.87 1p0a n VAL 38 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1p0a s ASN 39 N -4.86 4.27 -0.18 -1.34 0.01 -1.26 -2.59 114.94 108.98 1p0a s ASN 39 Ca -0.07 2.13 -0.16 0.00 -0.71 0.00 0.00 52.86 54.05 1p0a s ASN 39 Cb 0.12 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 1p0a s ASN 39 CO 0.88 -2.20 0.41 0.00 -1.51 0.00 0.00 177.10 174.67 1p0a s TRP 41 N 1.11 2.41 -0.05 0.00 0.52 -0.48 -2.67 118.94 119.78 1p0a s TRP 41 Ca 0.20 -0.77 -0.28 0.00 0.02 0.00 0.00 56.10 55.28 1p0a s TRP 41 Cb -0.15 -1.59 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1p0a s TRP 41 CO 0.08 -0.25 0.89 0.00 0.02 0.00 0.00 176.95 177.69 1p0a s GLU 43 N 1.18 4.15 0.00 0.00 2.02 -0.04 -1.02 118.70 125.00 1p0a s GLU 43 Ca 0.46 2.54 0.00 0.00 0.02 0.00 0.00 54.97 57.99 1p0a s GLU 43 Cb -0.19 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1p0a s GLU 43 CO 0.23 -0.71 0.00 2.41 0.02 0.00 0.00 175.26 177.20