#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8w n VAL 2 N 0.00 2.06 -4.68 1.97 0.31 -1.26 -5.04 118.33 111.70 1b8w n VAL 2 Ca 0.00 -4.63 -0.30 0.00 -0.01 0.00 0.00 64.34 59.40 1b8w n VAL 2 Cb 0.00 -0.84 -0.17 0.00 -0.91 0.00 0.00 33.84 31.93 1b8w n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1b8w s GLN 3 N -3.38 2.58 -0.42 5.55 0.74 -1.26 -5.06 119.66 118.40 1b8w s GLN 3 Ca 0.43 -0.70 0.05 0.00 0.05 0.00 0.00 55.36 55.20 1b8w s GLN 3 Cb 0.39 -2.09 0.19 0.00 1.10 0.00 0.00 33.01 32.60 1b8w s GLN 3 CO -0.13 0.01 0.42 0.72 -0.55 0.00 0.00 175.29 175.76 1b8w n HIS 4 N 3.99 -1.21 -3.97 1.67 8.25 -1.26 -5.10 115.22 117.60 1b8w n HIS 4 Ca -0.20 -3.11 -0.34 0.00 -0.26 0.00 0.00 57.72 53.81 1b8w n HIS 4 Cb 0.52 0.32 -0.15 0.00 1.12 0.00 0.00 29.99 31.80 1b8w n HIS 4 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1b8w s ARG 5 N -0.05 3.06 1.16 -0.41 3.52 -1.26 -5.11 118.95 119.86 1b8w s ARG 5 Ca 0.33 -0.82 -0.18 0.00 -0.13 0.00 0.00 55.73 54.93 1b8w s ARG 5 Cb 0.06 -2.91 0.19 0.00 -1.56 0.00 0.00 34.95 30.73 1b8w s ARG 5 CO -0.17 -0.29 0.34 -2.30 -0.81 0.00 0.00 175.30 172.07 1b8w n PRO 6 N 4.71 -2.35 -1.48 5.12 -0.02 -1.26 -4.76 135.00 134.95 1b8w n PRO 6 Ca -0.18 -0.68 -0.57 0.00 -2.02 0.00 0.00 63.50 60.05 1b8w n PRO 6 Cb 0.49 -1.76 -0.07 0.00 -0.02 0.00 0.00 33.50 32.14 1b8w n PRO 6 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1b8w n ARG 7 N -3.00 0.01 -0.98 -0.52 1.74 -1.24 -4.14 116.66 108.53 1b8w n ARG 7 Ca 0.03 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.79 1b8w n ARG 7 Cb 0.55 -1.41 0.13 0.00 -1.02 0.00 0.00 32.46 30.72 1b8w n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1b8w n ASP 8 N 1.60 0.31 -0.07 0.55 9.92 -1.26 0.11 116.55 127.71 1b8w n ASP 8 Ca 0.20 0.52 -0.11 0.00 -0.53 0.00 0.00 54.79 54.87 1b8w n ASP 8 Cb 0.11 -1.44 -0.09 0.00 -0.64 0.00 0.00 41.12 39.06 1b8w n ASP 8 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b8w h GLU 10 N -1.00 0.00 0.00 0.00 4.22 -1.78 -0.01 114.58 116.01 1b8w h GLU 10 Ca -0.04 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 1b8w h GLU 10 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1b8w h GLU 10 CO -0.02 0.15 -0.13 1.03 -2.18 0.00 0.00 179.01 177.87 1b8w h SER 11 N 0.00 0.00 -0.05 1.04 0.87 -1.91 -2.10 113.55 111.40 1b8w h SER 11 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1b8w h SER 11 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1b8w h SER 11 CO 0.02 0.13 0.00 2.30 -0.53 0.00 0.00 176.83 178.75 1b8w n ILE 12 N -3.34 0.03 -2.23 2.23 -5.35 -0.51 -4.95 119.36 105.23 1b8w n ILE 12 Ca -0.00 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 1b8w n ILE 12 Cb 0.33 1.45 0.00 0.00 -1.74 0.00 0.00 39.64 39.68 1b8w n ILE 12 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1b8w n ASN 13 N 1.33 -1.88 -2.96 7.28 5.15 -0.79 -5.08 115.26 118.31 1b8w n ASN 13 Ca 0.14 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.02 1b8w n ASN 13 Cb 0.60 -0.47 -0.02 0.00 -0.53 0.00 0.00 39.78 39.36 1b8w n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1b8w n GLY 14 N -0.59 3.69 3.58 8.20 0.00 -0.13 -4.83 105.19 115.11 1b8w n GLY 14 Ca 0.00 -2.25 -0.25 0.00 0.00 0.00 0.00 46.02 43.52 1b8w n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8w s VAL 15 N -1.46 2.55 -0.32 1.61 0.11 -0.89 -4.24 120.40 117.76 1b8w s VAL 15 Ca 0.03 -2.12 0.04 0.00 -2.93 0.00 0.00 61.98 57.00 1b8w s VAL 15 Cb -0.00 -2.67 0.09 0.00 -1.53 0.00 0.00 36.38 32.27 1b8w s VAL 15 CO 0.02 -0.25 0.00 0.00 -3.33 0.00 0.00 175.10 171.54 1b8w n ARG 17 N 4.31 3.77 -3.27 0.00 1.74 -0.14 -4.84 116.66 118.22 1b8w n ARG 17 Ca -0.02 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.68 1b8w n ARG 17 Cb 0.42 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.80 1b8w n ARG 17 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1b8w s HIS 18 N 1.61 3.67 -1.72 -1.55 2.46 -1.26 -1.10 115.29 117.40 1b8w s HIS 18 Ca 0.00 1.12 0.02 0.00 0.47 0.00 0.00 55.06 56.66 1b8w s HIS 18 Cb 0.00 -2.54 0.09 0.00 -0.13 0.00 0.00 32.58 30.00 1b8w s HIS 18 CO 0.00 0.38 0.72 0.36 -2.47 0.00 0.00 174.74 173.73 1b8w n LYS 19 N 2.70 0.04 -0.69 2.88 2.85 -1.25 -0.27 118.16 124.41 1b8w n LYS 19 Ca -0.08 0.13 0.05 0.00 -1.05 0.00 0.00 58.31 57.36 1b8w n LYS 19 Cb 0.51 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.49 1b8w n LYS 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1b8w n ASP 20 N -1.14 1.32 0.00 -5.58 2.03 -1.26 -5.00 116.55 106.91 1b8w n ASP 20 Ca 0.01 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.50 1b8w n ASP 20 Cb 0.01 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 1b8w n ASP 20 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1b8w n THR 21 N -0.54 0.00 0.03 5.18 -1.04 0.62 -5.01 114.28 113.53 1b8w n THR 21 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1b8w n THR 21 Cb 0.80 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1b8w n THR 21 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1b8w n VAL 22 N 0.00 0.00 -1.92 12.58 3.14 -1.26 -4.97 118.33 125.89 1b8w n VAL 22 Ca 0.00 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.43 1b8w n VAL 22 Cb 0.00 0.00 0.11 0.00 -1.06 0.00 0.00 33.84 32.89 1b8w n VAL 22 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1b8w n ASN 23 N -2.55 1.32 -3.93 6.55 2.85 -1.26 -4.91 115.26 113.33 1b8w n ASN 23 Ca 0.00 -2.87 -0.42 0.00 -0.11 0.00 0.00 54.58 51.18 1b8w n ASN 23 Cb 0.00 -0.39 0.01 0.00 1.24 0.00 0.00 39.78 40.64 1b8w n ASN 23 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1b8w n ARG 25 N 1.09 0.00 -3.95 0.00 1.74 -1.26 -4.51 116.66 109.77 1b8w n ARG 25 Ca 0.29 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 57.10 1b8w n ARG 25 Cb 0.32 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.73 1b8w n ARG 25 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1b8w s GLU 26 N 0.00 3.39 -0.91 5.56 2.12 -1.24 -0.95 118.70 126.66 1b8w s GLU 26 Ca 0.00 -0.58 -0.13 0.00 0.36 0.00 0.00 54.97 54.62 1b8w s GLU 26 Cb 0.00 -2.95 0.23 0.00 0.26 0.00 0.00 34.13 31.67 1b8w s GLU 26 CO 0.00 0.54 0.87 0.42 -0.54 0.00 0.00 175.26 176.55 1b8w s ILE 27 N -1.68 5.70 -1.17 -3.70 1.01 -0.38 -4.85 121.20 116.13 1b8w s ILE 27 Ca 0.34 -2.71 0.00 0.00 0.00 0.00 0.00 60.65 58.28 1b8w s ILE 27 Cb -0.11 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.84 1b8w s ILE 27 CO 0.28 -1.09 0.00 0.49 0.00 0.00 0.00 174.94 174.62 1b8w n PHE 28 N 3.70 0.00 -0.02 3.97 3.72 -1.26 -0.92 117.46 126.65 1b8w n PHE 28 Ca 0.17 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.54 1b8w n PHE 28 Cb 0.45 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.98 1b8w n PHE 28 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1b8w n LEU 29 N -0.11 1.97 -4.90 4.37 4.77 -1.26 -5.04 117.00 116.80 1b8w n LEU 29 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.65 1b8w n LEU 29 Cb 0.00 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1b8w n LEU 29 CO 0.00 0.37 -0.15 0.00 -1.33 0.00 0.00 177.39 176.28 1b8w s ALA 30 N -2.06 3.94 0.55 -1.18 0.00 -0.10 -3.60 121.76 119.31 1b8w s ALA 30 Ca -0.04 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.27 1b8w s ALA 30 Cb 0.01 -1.91 0.09 0.00 0.00 0.00 0.00 23.12 21.32 1b8w s ALA 30 CO 0.07 0.72 0.76 -0.25 0.00 0.00 0.00 175.76 177.06 1b8w n ASP 31 N 1.10 1.91 0.00 0.00 9.92 0.31 -4.20 116.55 125.59 1b8w n ASP 31 Ca -0.12 -2.40 0.00 0.00 -0.53 0.00 0.00 54.79 51.74 1b8w n ASP 31 Cb 0.53 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 1b8w n ASP 31 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b8w n TYR 33 N 0.00 0.00 0.11 0.00 4.01 -1.26 -4.52 117.16 115.49 1b8w n TYR 33 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 1b8w n TYR 33 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1b8w n TYR 33 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1b8w h ASN 34 N 0.00 0.00 0.00 7.72 2.35 -1.98 -3.48 115.58 120.19 1b8w h ASN 34 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1b8w h ASN 34 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1b8w h ASN 34 CO 0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 1b8w n ASP 35 N -2.68 0.00 -0.21 5.81 8.00 -1.26 -4.69 116.55 121.52 1b8w n ASP 35 Ca -0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 1b8w n ASP 35 Cb 0.55 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1b8w n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8w n GLY 36 N -1.05 -0.93 3.57 0.44 0.00 -1.26 -5.02 105.19 100.94 1b8w n GLY 36 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1b8w n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b8w s GLN 37 N -0.45 2.04 0.50 1.61 -0.21 -1.26 -3.91 119.66 117.98 1b8w s GLN 37 Ca 0.06 -1.49 0.01 0.00 0.02 0.00 0.00 55.36 53.95 1b8w s GLN 37 Cb 0.04 -2.04 -0.00 0.00 1.00 0.00 0.00 33.01 32.02 1b8w s GLN 37 CO 0.07 0.37 0.02 0.36 -2.12 0.00 0.00 175.29 173.99 1b8w n LYS 38 N -0.59 0.74 -3.36 2.91 -0.00 -0.25 -4.10 118.16 113.50 1b8w n LYS 38 Ca -0.07 -3.71 -0.33 0.00 -0.00 0.00 0.00 58.31 54.20 1b8w n LYS 38 Cb 0.58 1.12 -0.06 0.00 -0.00 0.00 0.00 35.03 36.68 1b8w n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b8w n ARG 41 N 1.05 1.49 0.00 0.00 1.74 -0.13 -2.09 116.66 118.73 1b8w n ARG 41 Ca -0.20 -0.83 0.00 0.00 -0.77 0.00 0.00 57.85 56.05 1b8w n ARG 41 Cb 0.57 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1b8w n ARG 41 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74