#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 3.20 -0.03 -1.24 -0.14 -0.48 -4.87 119.74 116.18 1p0a s LYS 2 Ca 0.00 -0.74 -0.30 0.00 -1.36 0.00 0.00 55.97 53.57 1p0a s LYS 2 Cb 0.00 -2.52 -0.03 0.00 -1.68 0.00 0.00 37.83 33.61 1p0a s LYS 2 CO 0.00 0.25 1.04 -1.17 -0.76 0.00 0.00 175.35 174.70 1p0a s LEU 3 N 0.24 4.32 0.00 3.17 2.96 -1.26 -0.85 118.68 127.25 1p0a s LEU 3 Ca -0.11 1.68 0.00 0.00 -0.22 0.00 0.00 54.13 55.48 1p0a s LEU 3 Cb -0.16 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1p0a s LEU 3 CO 0.06 -0.37 0.00 2.30 -1.32 0.00 0.00 176.35 177.02 1p0a n ILE 4 N 4.17 0.00 -1.09 6.68 -5.35 -1.16 -5.00 119.36 117.61 1p0a n ILE 4 Ca 0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 1p0a n ILE 4 Cb 0.49 -0.53 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 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 3.23 2.13 3.30 3.28 0.00 -1.26 -5.02 105.19 110.84 1p0a n GLY 5 Ca 0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 2.78 0.07 1.61 0.15 0.10 -0.23 113.70 120.17 1p0a s SER 6 Ca 0.00 -0.58 0.18 0.00 0.70 0.00 0.00 55.95 56.25 1p0a s SER 6 Cb 0.00 -0.23 -0.13 0.00 -1.71 0.00 0.00 66.02 63.95 1p0a s SER 6 CO 0.00 0.18 0.80 0.00 1.20 0.00 0.00 173.24 175.43 1p0a s VAL 8 N -3.02 2.98 0.52 0.00 0.11 -1.25 -4.79 120.40 114.94 1p0a s VAL 8 Ca -0.03 0.88 -0.21 0.00 -2.93 0.00 0.00 61.98 59.69 1p0a s VAL 8 Cb 0.09 -3.52 -0.06 0.00 -1.53 0.00 0.00 36.38 31.36 1p0a s VAL 8 CO 0.81 0.13 1.17 0.26 -3.33 0.00 0.00 175.10 174.15 1p0a s TRP 9 N -1.30 2.69 0.00 1.54 0.52 -1.26 -3.08 118.94 118.05 1p0a s TRP 9 Ca 0.54 1.52 0.00 0.00 0.02 0.00 0.00 56.10 58.19 1p0a s TRP 9 Cb -0.34 -3.39 0.00 0.00 -1.15 0.00 0.00 33.47 28.59 1p0a s TRP 9 CO 0.44 -1.73 0.00 0.41 0.02 0.00 0.00 176.95 176.09 1p0a n GLY 10 N 0.37 3.01 3.70 0.98 0.00 -1.26 -5.02 105.19 106.96 1p0a n GLY 10 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1p0a n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p0a n ALA 11 N -0.51 0.66 -0.08 4.61 0.00 -1.18 -4.93 120.51 119.07 1p0a n ALA 11 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1p0a n ALA 11 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.14 1p0a n ALA 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1p0a h VAL 12 N 0.14 1.24 -0.61 0.00 2.07 -1.95 -2.82 116.25 114.31 1p0a h VAL 12 Ca -0.49 -0.81 -0.40 0.00 0.82 0.00 0.00 66.70 65.82 1p0a h VAL 12 Cb 1.33 1.30 -0.18 0.00 -1.52 0.00 0.00 31.29 32.22 1p0a h VAL 12 CO 0.51 0.26 0.51 0.59 0.02 0.00 0.00 177.57 179.45 1p0a n ASN 13 N -4.68 6.14 -4.72 0.57 3.02 -1.26 -4.96 115.26 109.37 1p0a n ASN 13 Ca -0.03 -3.20 -0.42 0.00 -0.03 0.00 0.00 54.58 50.89 1p0a n ASN 13 Cb 0.21 -0.97 -0.03 0.00 -0.61 0.00 0.00 39.78 38.38 1p0a n ASN 13 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1p0a s TYR 14 N -2.29 3.08 -0.06 3.10 5.04 -1.07 0.02 117.35 125.18 1p0a s TYR 14 Ca 0.39 0.76 -0.02 0.00 -2.44 0.00 0.00 57.07 55.77 1p0a s TYR 14 Cb 0.31 -3.87 -0.04 0.00 0.35 0.00 0.00 41.96 38.72 1p0a s TYR 14 CO 0.01 -3.10 0.04 -0.08 -1.34 0.00 0.00 175.55 171.08 1p0a s THR 15 N 0.88 4.55 0.41 4.34 -1.32 -0.91 -4.91 115.64 118.68 1p0a s THR 15 Ca 0.67 -0.29 0.07 0.00 -1.21 0.00 0.00 61.69 60.93 1p0a s THR 15 Cb -0.42 -2.98 0.25 0.00 -1.51 0.00 0.00 72.50 67.83 1p0a s THR 15 CO 0.34 0.51 2.04 0.28 -2.21 0.00 0.00 174.62 175.57 1p0a h SER 16 N 4.74 0.44 -1.15 8.08 0.02 -1.95 -3.41 113.55 120.32 1p0a h SER 16 Ca -0.51 -0.02 0.12 0.00 -0.84 0.00 0.00 61.79 60.54 1p0a h SER 16 Cb 1.19 -0.11 -0.21 0.00 0.14 0.00 0.00 62.40 63.41 1p0a h SER 16 CO 0.57 0.35 -0.11 0.21 -1.14 0.00 0.00 176.83 176.71 1p0a s ASN 17 N -6.72 -1.09 0.12 3.07 3.84 -1.26 -5.06 114.94 107.85 1p0a s ASN 17 Ca -0.08 0.96 -0.22 0.00 0.21 0.00 0.00 52.86 53.73 1p0a s ASN 17 Cb 0.17 2.02 -0.04 0.00 -0.55 0.00 0.00 41.25 42.85 1p0a s ASN 17 CO 0.73 -0.20 1.69 0.00 -2.79 0.00 0.00 177.10 176.53 1p0a h ASN 19 N -0.12 0.34 -0.46 0.00 -0.00 -1.89 -1.87 115.58 111.58 1p0a h ASN 19 Ca 0.08 -0.11 -0.04 0.00 -0.00 0.00 0.00 56.30 56.23 1p0a h ASN 19 Cb 0.23 -0.09 -0.02 0.00 -0.00 0.00 0.00 38.32 38.44 1p0a h ASN 19 CO -0.18 0.35 0.12 0.00 -0.00 0.00 0.00 177.43 177.72 1p0a h ALA 20 N 1.00 0.61 0.19 1.57 0.00 -1.89 -0.66 119.26 120.08 1p0a h ALA 20 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1p0a h ALA 20 Cb 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1p0a h ALA 20 CO -0.01 0.28 -0.10 1.49 0.00 0.00 0.00 179.25 180.91 1p0a h GLU 21 N 0.61 -0.26 -0.52 0.00 4.57 -0.15 0.12 114.58 118.95 1p0a h GLU 21 Ca 0.15 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1p0a h GLU 21 Cb 0.30 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1p0a h GLU 21 CO -0.00 -0.18 0.28 0.00 -1.18 0.00 0.00 179.01 177.94 1p0a h LYS 23 N 0.69 1.02 0.14 0.00 3.64 -0.92 0.42 116.57 121.56 1p0a h LYS 23 Ca 0.18 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1p0a h LYS 23 Cb 0.05 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1p0a h LYS 23 CO -0.03 0.67 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.67 1p0a h ARG 24 N 1.05 -0.18 -0.51 1.90 2.43 -0.35 -2.89 114.38 115.83 1p0a h ARG 24 Ca 0.30 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1p0a h ARG 24 Cb -0.08 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1p0a h ARG 24 CO -0.08 -0.08 0.27 0.00 -1.51 0.00 0.00 179.97 178.58 1p0a h ARG 25 N -0.24 0.71 0.00 0.20 3.08 -1.04 -3.46 114.38 113.63 1p0a h ARG 25 Ca -0.02 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1p0a h ARG 25 Cb 0.19 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1p0a h ARG 25 CO 0.03 0.53 0.00 0.41 -1.07 0.00 0.00 179.97 179.87 1p0a n GLY 26 N -1.28 0.56 3.43 0.04 0.00 -0.49 -5.11 105.19 102.34 1p0a n GLY 26 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.44 1.92 0.15 1.61 1.51 0.02 -5.00 117.35 117.13 1p0a s TYR 27 Ca 0.00 -0.80 -0.15 0.00 -1.01 0.00 0.00 57.07 55.11 1p0a s TYR 27 Cb 0.00 -1.16 0.02 0.00 -0.11 0.00 0.00 41.96 40.71 1p0a s TYR 27 CO 0.00 0.17 1.77 0.87 -1.11 0.00 0.00 175.55 177.25 1p0a h LYS 28 N 2.24 0.62 0.00 -0.62 1.57 -1.55 -3.35 116.57 115.48 1p0a h LYS 28 Ca -0.40 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1p0a h LYS 28 Cb 1.23 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1p0a h LYS 28 CO 0.68 0.48 0.00 0.41 -0.57 0.00 0.00 179.45 180.45 1p0a n GLY 29 N -1.03 1.19 3.21 3.86 0.00 -1.25 -4.81 105.19 106.36 1p0a n GLY 29 Ca 0.01 -0.35 -0.12 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 -0.19 -0.25 0.07 -0.02 0.00 -1.26 -0.24 107.32 105.42 1p0a s GLY 30 Ca 0.00 1.09 -0.14 0.00 0.00 0.00 0.00 44.72 45.67 1p0a s GLY 30 CO 0.00 1.09 1.20 0.45 0.00 0.00 0.00 173.10 175.84 1p0a h HIS 31 N 6.19 1.00 0.00 1.90 3.86 -1.19 -3.39 115.15 123.52 1p0a h HIS 31 Ca -0.31 -0.53 0.00 0.00 -1.16 0.00 0.00 60.37 58.38 1p0a h HIS 31 Cb 1.18 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.53 1p0a h HIS 31 CO 0.36 1.36 0.00 0.00 0.86 0.00 0.00 177.93 180.51 1p0a n GLY 33 N 0.00 2.18 0.10 0.00 0.00 -1.26 -4.31 105.19 101.91 1p0a n GLY 33 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 1.18 -3.63 1.61 7.64 -1.26 -4.86 113.62 114.30 1p0a n SER 34 Ca 0.00 0.25 -0.09 0.00 1.01 0.00 0.00 58.87 60.04 1p0a n SER 34 Cb 0.00 -0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 62.98 1p0a n SER 34 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1p0a s PHE 35 N -2.56 -0.45 -1.39 1.43 -0.12 -1.26 -4.93 117.98 108.69 1p0a s PHE 35 Ca -0.13 1.06 -0.01 0.00 -0.05 0.00 0.00 56.93 57.81 1p0a s PHE 35 Cb 0.07 0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 1p0a s PHE 35 CO 0.79 -0.24 0.06 1.28 -0.05 0.00 0.00 175.22 177.06 1p0a n LEU 36 N 2.00 -1.59 -3.66 -1.99 4.77 -1.26 -4.93 117.00 110.35 1p0a n LEU 36 Ca -0.12 0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.85 1p0a n LEU 36 Cb 0.56 -2.52 -0.08 0.00 -2.33 0.00 0.00 43.42 39.05 1p0a n LEU 36 CO 0.04 -0.13 0.15 0.20 -1.33 0.00 0.00 177.39 176.32 1p0a s ASN 37 N -2.11 -0.66 -0.04 -1.43 0.01 -1.26 -5.01 114.94 104.43 1p0a s ASN 37 Ca 0.04 1.23 0.02 0.00 -0.71 0.00 0.00 52.86 53.44 1p0a s ASN 37 Cb -0.02 1.57 -0.04 0.00 0.41 0.00 0.00 41.25 43.17 1p0a s ASN 37 CO 0.04 -0.22 -0.00 0.52 -1.51 0.00 0.00 177.10 175.93 1p0a n VAL 38 N 5.11 0.25 -2.06 1.60 0.31 -1.26 -4.18 118.33 118.09 1p0a n VAL 38 Ca -0.13 -0.14 -0.38 0.00 -0.01 0.00 0.00 64.34 63.68 1p0a n VAL 38 Cb 0.51 -0.83 0.01 0.00 -0.91 0.00 0.00 33.84 32.61 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 -3.74 5.98 -0.55 4.52 0.01 -1.26 -0.87 114.94 119.03 1p0a s ASN 39 Ca -0.03 2.55 -0.28 0.00 -0.71 0.00 0.00 52.86 54.38 1p0a s ASN 39 Cb 0.01 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 39.08 1p0a s ASN 39 CO 0.14 -1.07 1.22 0.00 -1.51 0.00 0.00 177.10 175.87 1p0a s TRP 41 N 5.00 3.21 0.01 0.00 0.52 -1.26 -3.00 118.94 123.42 1p0a s TRP 41 Ca 0.46 0.09 -0.30 0.00 0.02 0.00 0.00 56.10 56.37 1p0a s TRP 41 Cb -0.08 -2.69 -0.04 0.00 -1.15 0.00 0.00 33.47 29.51 1p0a s TRP 41 CO 0.27 -0.41 1.07 0.00 0.02 0.00 0.00 176.95 177.90 1p0a s GLU 43 N 1.23 4.01 0.00 0.00 2.02 0.66 -1.39 118.70 125.23 1p0a s GLU 43 Ca 0.54 1.78 0.32 0.00 0.02 0.00 0.00 54.97 57.63 1p0a s GLU 43 Cb -0.24 -3.95 1.84 0.00 0.10 0.00 0.00 34.13 31.88 1p0a s GLU 43 CO 0.27 -1.02 2.19 0.25 0.02 0.00 0.00 175.26 176.97