#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 4.41 -0.45 -1.24 -0.14 -1.08 -4.86 119.74 116.37 1p0a s LYS 2 Ca 0.00 0.89 -0.20 0.00 -1.36 0.00 0.00 55.97 55.30 1p0a s LYS 2 Cb 0.00 -3.38 0.03 0.00 -1.68 0.00 0.00 37.83 32.80 1p0a s LYS 2 CO 0.00 0.26 0.63 -1.17 -0.76 0.00 0.00 175.35 174.31 1p0a s LEU 3 N 0.11 4.61 -0.20 3.17 2.96 -1.26 -1.27 118.68 126.80 1p0a s LEU 3 Ca 0.35 -0.49 0.13 0.00 -0.22 0.00 0.00 54.13 53.91 1p0a s LEU 3 Cb -0.19 -2.64 -0.22 0.00 0.50 0.00 0.00 46.19 43.64 1p0a s LEU 3 CO 0.19 -0.80 -0.00 2.30 -1.32 0.00 0.00 176.35 176.73 1p0a n ILE 4 N 5.78 1.34 -0.02 6.68 -5.35 -1.13 -5.05 119.36 121.62 1p0a n ILE 4 Ca -0.03 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 1p0a n ILE 4 Cb 0.47 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 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 1.94 1.87 3.23 3.28 0.00 -1.26 -4.98 105.19 109.26 1p0a n GLY 5 Ca -0.34 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 2.00 -0.13 0.00 1.61 0.15 0.16 -0.22 113.70 117.27 1p0a s SER 6 Ca 0.00 -0.06 0.24 0.00 0.70 0.00 0.00 55.95 56.82 1p0a s SER 6 Cb 0.00 0.31 0.81 0.00 -1.71 0.00 0.00 66.02 65.43 1p0a s SER 6 CO 0.00 -0.50 1.60 0.00 1.20 0.00 0.00 173.24 175.54 1p0a s VAL 8 N -1.86 4.86 0.40 0.00 1.01 -1.26 -4.88 120.40 118.67 1p0a s VAL 8 Ca 0.35 1.86 -0.26 0.00 0.00 0.00 0.00 61.98 63.93 1p0a s VAL 8 Cb 0.19 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 1p0a s VAL 8 CO 0.29 0.07 1.23 -1.66 0.00 0.00 0.00 175.10 175.03 1p0a s TRP 9 N 1.72 2.96 0.00 5.22 -2.14 -1.26 -3.11 118.94 122.33 1p0a s TRP 9 Ca 0.45 1.50 0.00 0.00 2.66 0.00 0.00 56.10 60.70 1p0a s TRP 9 Cb -0.18 -3.51 0.00 0.00 -3.10 0.00 0.00 33.47 26.68 1p0a s TRP 9 CO 0.18 -1.65 0.00 0.41 -2.66 0.00 0.00 176.95 173.24 1p0a n GLY 10 N 0.67 2.95 3.77 3.67 0.00 -1.26 -5.04 105.19 109.94 1p0a n GLY 10 Ca 0.04 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.59 3.33 0.24 4.61 0.00 -1.18 -4.92 121.76 122.25 1p0a s ALA 11 Ca 0.00 1.29 -0.06 0.00 0.00 0.00 0.00 51.96 53.19 1p0a s ALA 11 Cb 0.00 -3.50 0.29 0.00 0.00 0.00 0.00 23.12 19.91 1p0a s ALA 11 CO 0.00 -0.84 1.88 -0.24 0.00 0.00 0.00 175.76 176.57 1p0a h VAL 12 N 2.61 1.13 -0.46 0.00 3.04 -1.96 -1.96 116.25 118.65 1p0a h VAL 12 Ca -0.50 -0.38 -0.30 0.00 -1.01 0.00 0.00 66.70 64.52 1p0a h VAL 12 Cb 1.24 -0.07 -0.14 0.00 -2.01 0.00 0.00 31.29 30.32 1p0a h VAL 12 CO 0.63 0.20 0.38 -0.46 -1.01 0.00 0.00 177.57 177.31 1p0a n ASN 13 N -4.54 5.74 -4.71 3.17 2.04 -1.26 -4.93 115.26 110.78 1p0a n ASN 13 Ca 0.12 -2.98 -0.42 0.00 -0.44 0.00 0.00 54.58 50.86 1p0a n ASN 13 Cb 0.11 -0.97 -0.03 0.00 -2.53 0.00 0.00 39.78 36.36 1p0a n ASN 13 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1p0a s TYR 14 N -1.71 3.28 -0.11 -2.53 5.04 -0.74 -0.67 117.35 119.92 1p0a s TYR 14 Ca 0.29 1.11 -0.03 0.00 -2.44 0.00 0.00 57.07 56.00 1p0a s TYR 14 Cb 0.23 -3.54 -0.03 0.00 0.35 0.00 0.00 41.96 38.96 1p0a s TYR 14 CO 0.01 -1.82 0.02 -0.08 -1.34 0.00 0.00 175.55 172.34 1p0a s THR 15 N 1.30 4.48 0.32 4.34 -1.32 -0.35 -4.91 115.64 119.51 1p0a s THR 15 Ca 0.61 -0.17 -0.00 0.00 -1.21 0.00 0.00 61.69 60.92 1p0a s THR 15 Cb -0.32 -2.92 0.26 0.00 -1.51 0.00 0.00 72.50 68.01 1p0a s THR 15 CO 0.29 0.58 1.98 0.28 -2.21 0.00 0.00 174.62 175.54 1p0a h SER 16 N 5.45 0.84 -1.34 8.08 0.02 -1.95 -3.42 113.55 121.23 1p0a h SER 16 Ca -0.48 -0.03 0.12 0.00 -0.84 0.00 0.00 61.79 60.56 1p0a h SER 16 Cb 1.19 -0.21 -0.21 0.00 0.14 0.00 0.00 62.40 63.31 1p0a h SER 16 CO 0.57 0.62 -0.05 0.21 -1.14 0.00 0.00 176.83 177.04 1p0a s ASN 17 N -6.39 -1.00 0.13 3.07 2.47 -1.26 -5.07 114.94 106.88 1p0a s ASN 17 Ca -0.11 1.08 -0.26 0.00 0.42 0.00 0.00 52.86 53.99 1p0a s ASN 17 Cb 0.18 2.02 -0.04 0.00 -1.45 0.00 0.00 41.25 41.95 1p0a s ASN 17 CO 0.78 -0.19 1.62 0.00 -3.72 0.00 0.00 177.10 175.59 1p0a h ASN 19 N -0.42 0.66 0.44 0.00 -0.00 -1.91 -1.12 115.58 113.24 1p0a h ASN 19 Ca 0.07 0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.36 1p0a h ASN 19 Cb 0.52 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.72 1p0a h ASN 19 CO -0.27 0.44 -0.21 0.00 -0.00 0.00 0.00 177.43 177.39 1p0a h ALA 20 N 1.33 -0.60 -0.58 1.57 0.00 -1.78 -0.24 119.26 118.96 1p0a h ALA 20 Ca 0.30 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1p0a h ALA 20 Cb 0.10 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1p0a h ALA 20 CO -0.14 -0.81 0.37 1.49 0.00 0.00 0.00 179.25 180.15 1p0a h GLU 21 N -0.64 0.71 -0.59 0.00 4.81 -1.04 0.12 114.58 117.94 1p0a h GLU 21 Ca -0.06 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1p0a h GLU 21 Cb 0.48 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1p0a h GLU 21 CO 0.10 0.47 0.38 0.00 -0.73 0.00 0.00 179.01 179.23 1p0a h LYS 23 N 0.76 0.99 0.02 0.00 1.63 -0.40 0.12 116.57 119.69 1p0a h LYS 23 Ca 0.23 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1p0a h LYS 23 Cb -0.03 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.38 1p0a h LYS 23 CO -0.07 0.74 -0.10 0.00 -3.45 0.00 0.00 179.45 176.57 1p0a h ARG 24 N 0.98 -0.17 -0.38 1.90 2.47 -0.03 -2.48 114.38 116.67 1p0a h ARG 24 Ca 0.25 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.96 1p0a h ARG 24 Cb 0.04 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 1p0a h ARG 24 CO -0.04 -0.11 0.16 0.00 0.56 0.00 0.00 179.97 180.53 1p0a h ARG 25 N -0.17 0.53 0.00 0.04 3.08 -0.98 -3.46 114.38 113.41 1p0a h ARG 25 Ca 0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1p0a h ARG 25 Cb 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1p0a h ARG 25 CO -0.08 0.44 0.00 0.41 -1.07 0.00 0.00 179.97 179.66 1p0a n GLY 26 N -1.23 1.57 3.87 0.04 0.00 -0.68 -5.11 105.19 103.66 1p0a n GLY 26 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1p0a n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p0a s TYR 27 N -1.57 3.43 0.26 1.61 1.51 0.32 -4.97 117.35 117.94 1p0a s TYR 27 Ca 0.00 0.93 -0.01 0.00 -1.01 0.00 0.00 57.07 56.98 1p0a s TYR 27 Cb 0.00 -2.31 0.53 0.00 -0.11 0.00 0.00 41.96 40.07 1p0a s TYR 27 CO 0.00 0.17 1.78 0.87 -1.11 0.00 0.00 175.55 177.25 1p0a h LYS 28 N 2.17 0.67 0.00 -0.62 1.79 -1.61 -3.37 116.57 115.59 1p0a h LYS 28 Ca -0.47 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1p0a h LYS 28 Cb 1.18 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1p0a h LYS 28 CO 0.67 0.44 0.00 0.41 -1.08 0.00 0.00 179.45 179.89 1p0a n GLY 29 N -1.33 2.89 3.65 3.86 0.00 -1.19 -4.93 105.19 108.14 1p0a n GLY 29 Ca 0.17 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.07 0.28 -0.30 -0.02 0.00 -1.26 -1.01 107.32 104.95 1p0a s GLY 30 Ca 0.00 3.31 -0.07 0.00 0.00 0.00 0.00 44.72 47.96 1p0a s GLY 30 CO 0.00 1.62 0.85 -2.38 0.00 0.00 0.00 173.10 173.19 1p0a s HIS 31 N -0.39 -1.02 0.20 1.90 -3.43 0.14 -3.45 115.29 109.24 1p0a s HIS 31 Ca 0.08 1.06 -0.31 0.00 -0.80 0.00 0.00 55.06 55.09 1p0a s HIS 31 Cb -0.03 0.35 -0.10 0.00 -1.43 0.00 0.00 32.58 31.36 1p0a s HIS 31 CO -0.13 -0.56 1.53 0.00 -2.00 0.00 0.00 174.74 173.58 1p0a n GLY 33 N 3.14 5.25 3.50 0.00 0.00 -0.38 -4.85 105.19 111.86 1p0a n GLY 33 Ca 0.11 -1.49 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 1p0a n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p0a n SER 34 N 0.00 -5.95 -0.49 1.61 7.64 -1.26 -1.89 113.62 113.28 1p0a n SER 34 Ca 0.00 -0.82 0.37 0.00 1.01 0.00 0.00 58.87 59.43 1p0a n SER 34 Cb 0.00 -3.98 0.57 0.00 -1.01 0.00 0.00 64.21 59.79 1p0a n SER 34 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1p0a n PHE 35 N -3.55 0.07 -0.11 1.43 1.16 -1.26 0.99 117.46 116.19 1p0a n PHE 35 Ca -0.09 0.07 -0.12 0.00 -1.87 0.00 0.00 57.45 55.44 1p0a n PHE 35 Cb 0.59 -0.43 -0.03 0.00 -1.61 0.00 0.00 39.48 38.00 1p0a n PHE 35 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1p0a h LEU 36 N 0.00 0.69 0.00 5.98 3.38 -2.04 -3.36 115.31 119.96 1p0a h LEU 36 Ca 0.67 -0.40 -0.24 0.00 0.09 0.00 0.00 57.88 58.00 1p0a h LEU 36 Cb 2.61 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 43.13 1p0a h LEU 36 CO -0.05 0.94 -1.91 -3.20 0.09 0.00 0.00 178.44 174.31 1p0a n ASN 37 N -4.37 1.73 -2.59 -0.43 2.85 0.83 -5.03 115.26 108.24 1p0a n ASN 37 Ca -0.03 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.32 1p0a n ASN 37 Cb 0.38 0.83 0.06 0.00 1.24 0.00 0.00 39.78 42.29 1p0a n ASN 37 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1p0a n VAL 38 N -2.49 -3.61 -2.06 3.44 0.31 0.28 -4.73 118.33 109.48 1p0a n VAL 38 Ca -0.21 -0.27 -0.42 0.00 -0.01 0.00 0.00 64.34 63.42 1p0a n VAL 38 Cb 0.93 -3.97 -0.03 0.00 -0.91 0.00 0.00 33.84 29.85 1p0a n VAL 38 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1p0a s ASN 39 N -3.78 6.71 -0.40 4.52 0.01 -0.79 -1.90 114.94 119.32 1p0a s ASN 39 Ca 0.07 2.39 -0.29 0.00 -0.71 0.00 0.00 52.86 54.32 1p0a s ASN 39 Cb -0.03 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1p0a s ASN 39 CO 0.48 -0.77 1.55 0.00 -1.51 0.00 0.00 177.10 176.85 1p0a s TRP 41 N 6.02 3.22 -0.17 0.00 0.52 -1.22 -2.83 118.94 124.47 1p0a s TRP 41 Ca 0.67 -0.05 -0.22 0.00 0.02 0.00 0.00 56.10 56.52 1p0a s TRP 41 Cb -0.16 -2.41 -0.03 0.00 -1.15 0.00 0.00 33.47 29.72 1p0a s TRP 41 CO 0.32 -0.26 0.66 0.00 0.02 0.00 0.00 176.95 177.70 1p0a s GLU 43 N 1.67 2.58 0.00 0.00 2.02 -0.18 -2.65 118.70 122.14 1p0a s GLU 43 Ca 0.31 -0.45 0.23 0.00 0.02 0.00 0.00 54.97 55.08 1p0a s GLU 43 Cb -0.16 -5.10 1.37 0.00 0.10 0.00 0.00 34.13 30.34 1p0a s GLU 43 CO 0.12 -3.44 1.74 2.41 0.02 0.00 0.00 175.26 176.11