#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 2.97 -0.49 -1.24 -0.14 -0.76 -4.85 119.74 115.24 1p0a s LYS 2 Ca 0.00 -0.81 -0.28 0.00 -1.36 0.00 0.00 55.97 53.53 1p0a s LYS 2 Cb 0.00 -2.38 0.03 0.00 -1.68 0.00 0.00 37.83 33.80 1p0a s LYS 2 CO 0.00 0.29 1.07 -1.17 -0.76 0.00 0.00 175.35 174.77 1p0a s LEU 3 N 0.11 3.76 -0.05 3.17 2.96 -1.26 -1.04 118.68 126.32 1p0a s LEU 3 Ca -0.10 0.27 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 1p0a s LEU 3 Cb -0.16 -3.36 -0.09 0.00 0.50 0.00 0.00 46.19 43.09 1p0a s LEU 3 CO 0.06 -1.22 0.06 2.30 -1.32 0.00 0.00 176.35 176.23 1p0a n ILE 4 N 6.66 0.35 -1.35 6.68 -5.35 -1.10 -5.04 119.36 120.21 1p0a n ILE 4 Ca 0.09 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1p0a n ILE 4 Cb 0.49 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 2.45 2.81 2.91 3.28 0.00 -1.25 -4.99 105.19 110.41 1p0a n GLY 5 Ca -0.09 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 0.50 -0.55 1.61 0.15 0.16 -0.26 113.70 117.31 1p0a s SER 6 Ca 0.00 -0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.57 1p0a s SER 6 Cb 0.00 -0.12 0.38 0.00 -1.71 0.00 0.00 66.02 64.57 1p0a s SER 6 CO 0.00 0.01 2.02 0.00 1.20 0.00 0.00 173.24 176.47 1p0a s VAL 8 N -3.95 0.62 0.46 0.00 1.01 -1.24 -4.84 120.40 112.47 1p0a s VAL 8 Ca 0.54 -0.17 -0.25 0.00 0.00 0.00 0.00 61.98 62.10 1p0a s VAL 8 Cb 0.42 -0.64 -0.08 0.00 0.00 0.00 0.00 36.38 36.08 1p0a s VAL 8 CO -0.00 0.25 1.42 -2.67 0.00 0.00 0.00 175.10 174.10 1p0a n TRP 9 N 4.07 2.65 0.00 5.22 2.14 -1.26 -2.50 117.44 127.77 1p0a n TRP 9 Ca -0.24 0.44 0.00 0.00 2.07 0.00 0.00 57.50 59.77 1p0a n TRP 9 Cb 0.51 -2.45 0.00 0.00 -0.81 0.00 0.00 31.31 28.56 1p0a n TRP 9 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1p0a n GLY 10 N 0.60 2.92 3.75 -1.67 0.00 -1.26 -5.04 105.19 104.49 1p0a n GLY 10 Ca 0.06 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.29 2.61 0.07 4.61 0.00 -1.04 -4.95 121.76 120.78 1p0a s ALA 11 Ca 0.00 1.13 -0.26 0.00 0.00 0.00 0.00 51.96 52.83 1p0a s ALA 11 Cb 0.00 -3.50 -0.16 0.00 0.00 0.00 0.00 23.12 19.46 1p0a s ALA 11 CO 0.00 -1.26 1.66 0.28 0.00 0.00 0.00 175.76 176.44 1p0a h VAL 12 N 1.04 0.83 -0.34 0.00 2.07 -1.96 -2.62 116.25 115.27 1p0a h VAL 12 Ca -0.51 -0.10 -0.22 0.00 0.82 0.00 0.00 66.70 66.70 1p0a h VAL 12 Cb 1.30 0.89 -0.10 0.00 -1.52 0.00 0.00 31.29 31.86 1p0a h VAL 12 CO 0.56 0.02 0.28 0.59 0.02 0.00 0.00 177.57 179.04 1p0a n ASN 13 N -5.18 5.23 -4.74 0.57 4.13 -1.26 -4.95 115.26 109.06 1p0a n ASN 13 Ca -0.09 -2.78 -0.42 0.00 1.68 0.00 0.00 54.58 52.98 1p0a n ASN 13 Cb 0.14 -0.93 -0.02 0.00 -1.54 0.00 0.00 39.78 37.43 1p0a n ASN 13 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1p0a s TYR 14 N -1.26 2.92 -0.26 3.10 5.04 -0.99 0.37 117.35 126.28 1p0a s TYR 14 Ca 0.21 0.82 -0.11 0.00 -2.44 0.00 0.00 57.07 55.55 1p0a s TYR 14 Cb 0.17 -3.95 0.10 0.00 0.35 0.00 0.00 41.96 38.63 1p0a s TYR 14 CO 0.01 -3.26 0.58 -0.08 -1.34 0.00 0.00 175.55 171.46 1p0a s THR 15 N 0.28 -0.54 -0.12 4.34 -1.32 0.11 -4.86 115.64 113.52 1p0a s THR 15 Ca 0.64 0.05 -0.15 0.00 -1.21 0.00 0.00 61.69 61.02 1p0a s THR 15 Cb -0.45 -0.87 -0.13 0.00 -1.51 0.00 0.00 72.50 69.53 1p0a s THR 15 CO 0.42 0.02 0.39 0.77 -2.21 0.00 0.00 174.62 174.01 1p0a h SER 16 N 7.67 0.00 -0.26 8.08 4.64 -1.93 -3.37 113.55 128.38 1p0a h SER 16 Ca -0.23 -0.51 -0.69 0.00 -0.47 0.00 0.00 61.79 59.90 1p0a h SER 16 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1p0a h SER 16 CO 0.14 0.77 3.53 -3.20 -0.87 0.00 0.00 176.83 177.21 1p0a n ASN 17 N -4.69 8.51 -0.23 4.97 4.05 -1.26 -4.68 115.26 121.94 1p0a n ASN 17 Ca -0.06 -2.70 0.01 0.00 0.45 0.00 0.00 54.58 52.28 1p0a n ASN 17 Cb 0.26 -1.52 0.13 0.00 1.23 0.00 0.00 39.78 39.88 1p0a n ASN 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1p0a h ASN 19 N 0.49 -0.21 -0.51 0.00 -0.00 -1.83 0.26 115.58 113.77 1p0a h ASN 19 Ca 0.34 0.07 -0.08 0.00 -0.00 0.00 0.00 56.30 56.63 1p0a h ASN 19 Cb 0.41 0.15 -0.02 0.00 -0.00 0.00 0.00 38.32 38.85 1p0a h ASN 19 CO -0.30 -0.07 0.02 0.00 -0.00 0.00 0.00 177.43 177.07 1p0a h ALA 20 N 1.24 0.69 -0.03 1.57 0.00 -1.77 -0.17 119.26 120.79 1p0a h ALA 20 Ca 0.12 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1p0a h ALA 20 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1p0a h ALA 20 CO -0.25 0.48 -0.07 1.49 0.00 0.00 0.00 179.25 180.90 1p0a h GLU 21 N 0.76 -0.11 -0.50 0.00 4.57 -0.60 0.40 114.58 119.10 1p0a h GLU 21 Ca 0.15 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1p0a h GLU 21 Cb 0.49 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1p0a h GLU 21 CO 0.02 -0.07 0.22 0.00 -1.18 0.00 0.00 179.01 177.99 1p0a h LYS 23 N 0.66 1.28 0.04 0.00 1.63 -0.63 0.94 116.57 120.49 1p0a h LYS 23 Ca 0.17 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1p0a h LYS 23 Cb 0.16 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1p0a h LYS 23 CO -0.02 0.89 -0.02 -0.09 -3.45 0.00 0.00 179.45 176.77 1p0a h ARG 24 N 1.30 -0.05 -0.94 1.90 9.65 0.18 -2.97 114.38 123.47 1p0a h ARG 24 Ca 0.34 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.26 1p0a h ARG 24 Cb -0.07 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 1p0a h ARG 24 CO -0.06 0.14 0.61 0.00 2.80 0.00 0.00 179.97 183.46 1p0a h ARG 25 N -0.23 1.14 0.00 0.20 3.08 -0.84 -3.46 114.38 114.27 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 0.21 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1p0a h ARG 25 CO 0.01 0.75 0.00 0.41 -1.07 0.00 0.00 179.97 180.07 1p0a n GLY 26 N -1.39 0.47 3.60 0.04 0.00 -0.33 -5.10 105.19 102.47 1p0a n GLY 26 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.62 2.50 0.15 1.61 1.51 0.18 -5.00 117.35 117.68 1p0a s TYR 27 Ca 0.00 -0.45 -0.17 0.00 -1.01 0.00 0.00 57.07 55.44 1p0a s TYR 27 Cb 0.00 -1.44 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1p0a s TYR 27 CO 0.00 0.52 1.78 0.87 -1.11 0.00 0.00 175.55 177.60 1p0a h LYS 28 N 1.88 0.35 0.00 -0.62 1.57 -1.71 -3.38 116.57 114.66 1p0a h LYS 28 Ca -0.42 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1p0a h LYS 28 Cb 1.25 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1p0a h LYS 28 CO 0.68 0.23 0.00 0.41 -0.57 0.00 0.00 179.45 180.20 1p0a n GLY 29 N -1.20 2.25 3.63 3.86 0.00 -1.11 -4.88 105.19 107.73 1p0a n GLY 29 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.18 0.00 -0.02 0.00 -1.26 -1.10 107.32 104.76 1p0a s GLY 30 Ca 0.00 2.54 0.00 0.00 0.00 0.00 0.00 44.72 47.26 1p0a s GLY 30 CO 0.00 1.68 0.05 -2.39 0.00 0.00 0.00 173.10 172.43 1p0a n HIS 31 N 1.92 0.00 -2.50 1.90 1.44 -1.14 -4.32 115.22 112.52 1p0a n HIS 31 Ca -0.12 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.40 1p0a n HIS 31 Cb 0.56 0.04 -0.00 0.00 0.12 0.00 0.00 29.99 30.70 1p0a n HIS 31 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1p0a n GLY 33 N -1.01 -2.38 1.13 0.00 0.00 -1.26 -2.92 105.19 98.74 1p0a n GLY 33 Ca -0.20 -1.21 -0.01 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.87 2.84 0.03 1.61 7.64 -1.26 -4.16 113.62 119.44 1p0a n SER 34 Ca 0.00 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1p0a n SER 34 Cb 0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1p0a n SER 34 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1p0a n PHE 35 N 0.12 -1.94 -2.10 1.43 7.35 -1.26 -4.97 117.46 116.09 1p0a n PHE 35 Ca 0.13 0.20 -0.40 0.00 -0.76 0.00 0.00 57.45 56.62 1p0a n PHE 35 Cb 0.69 0.77 -0.00 0.00 0.35 0.00 0.00 39.48 41.29 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 -2.49 7.87 -2.23 -2.13 4.32 -1.26 -4.84 117.00 116.24 1p0a n LEU 36 Ca 0.00 -4.93 -0.03 0.00 -0.02 0.00 0.00 56.01 51.03 1p0a n LEU 36 Cb 0.00 -1.35 -0.04 0.00 -1.62 0.00 0.00 43.42 40.42 1p0a n LEU 36 CO 0.00 2.01 0.71 -0.46 -1.22 0.00 0.00 177.39 178.43 1p0a n ASN 37 N 1.66 1.58 -0.07 -1.43 6.94 -1.15 -3.52 115.26 119.27 1p0a n ASN 37 Ca 0.59 -1.70 -0.09 0.00 -0.02 0.00 0.00 54.58 53.36 1p0a n ASN 37 Cb 0.26 -0.40 -0.07 0.00 -2.36 0.00 0.00 39.78 37.20 1p0a n ASN 37 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1p0a n VAL 38 N 2.61 0.79 -3.96 3.53 0.24 -1.25 -4.77 118.33 115.53 1p0a n VAL 38 Ca 0.10 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.34 61.74 1p0a n VAL 38 Cb 0.24 -0.93 -0.05 0.00 -1.47 0.00 0.00 33.84 31.64 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 -5.12 6.13 -1.07 -1.34 0.01 -1.23 -0.57 114.94 111.74 1p0a s ASN 39 Ca -0.16 0.20 -0.22 0.00 -0.71 0.00 0.00 52.86 51.97 1p0a s ASN 39 Cb 0.04 -1.83 0.06 0.00 0.41 0.00 0.00 41.25 39.94 1p0a s ASN 39 CO 0.35 0.18 1.48 0.00 -1.51 0.00 0.00 177.10 177.60 1p0a s TRP 41 N 4.59 3.08 -0.02 0.00 0.52 -1.26 -2.71 118.94 123.14 1p0a s TRP 41 Ca 0.46 0.27 -0.30 0.00 0.02 0.00 0.00 56.10 56.55 1p0a s TRP 41 Cb 0.00 -3.38 -0.04 0.00 -1.15 0.00 0.00 33.47 28.90 1p0a s TRP 41 CO -0.06 -0.80 1.29 0.00 0.02 0.00 0.00 176.95 177.40 1p0a s GLU 43 N 2.18 4.17 0.00 0.00 2.02 -0.26 -1.82 118.70 124.99 1p0a s GLU 43 Ca 0.59 2.29 0.00 0.00 0.02 0.00 0.00 54.97 57.88 1p0a s GLU 43 Cb -0.28 -4.02 0.00 0.00 0.10 0.00 0.00 34.13 29.93 1p0a s GLU 43 CO 0.24 -0.87 0.00 -2.37 0.02 0.00 0.00 175.26 172.28