#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 4.73 -1.17 1.97 3.14 -1.26 -4.86 118.33 120.88 1b8w n VAL 2 Ca 0.00 -4.62 -0.34 0.00 -2.96 0.00 0.00 64.34 56.42 1b8w n VAL 2 Cb 0.00 -1.58 -0.02 0.00 -1.06 0.00 0.00 33.84 31.18 1b8w n VAL 2 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b8w n GLN 3 N 0.35 2.90 -3.38 1.45 6.02 -1.26 -4.81 117.38 118.64 1b8w n GLN 3 Ca 0.53 -1.98 -0.45 0.00 -0.01 0.00 0.00 57.00 55.08 1b8w n GLN 3 Cb 0.30 -2.76 -0.03 0.00 1.02 0.00 0.00 30.24 28.78 1b8w n GLN 3 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1b8w s HIS 4 N 2.93 3.80 0.35 1.08 3.76 -1.26 -5.05 115.29 120.90 1b8w s HIS 4 Ca 0.56 -2.21 -0.00 0.00 -0.15 0.00 0.00 55.06 53.26 1b8w s HIS 4 Cb 0.15 -3.74 -0.03 0.00 1.11 0.00 0.00 32.58 30.07 1b8w s HIS 4 CO -0.04 -0.96 0.56 1.03 -0.85 0.00 0.00 174.74 174.48 1b8w s ARG 5 N -0.11 3.50 -0.38 1.40 0.52 -1.26 -5.02 118.95 117.59 1b8w s ARG 5 Ca 0.20 -0.28 -0.28 0.00 -0.52 0.00 0.00 55.73 54.85 1b8w s ARG 5 Cb -0.11 -2.64 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 1b8w s ARG 5 CO -0.08 0.13 1.89 -1.25 0.02 0.00 0.00 175.30 176.00 1b8w s PRO 6 N -4.30 3.10 0.01 3.54 0.04 -1.26 -4.88 135.00 131.25 1b8w s PRO 6 Ca 0.41 1.32 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1b8w s PRO 6 Cb -0.10 -4.27 -0.01 0.00 0.04 0.00 0.00 34.50 30.16 1b8w s PRO 6 CO 0.36 -2.14 0.02 2.89 0.04 0.00 0.00 177.00 178.18 1b8w n ARG 7 N 8.64 0.00 0.00 4.56 1.85 -1.26 -4.34 116.66 126.10 1b8w n ARG 7 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.09 1b8w n ARG 7 Cb 0.48 -0.04 0.00 0.00 -1.05 0.00 0.00 32.46 31.85 1b8w n ARG 7 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1b8w n ASP 8 N 0.09 0.00 -0.10 2.89 9.92 -1.26 0.52 116.55 128.61 1b8w n ASP 8 Ca 0.01 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.04 1b8w n ASP 8 Cb 0.01 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.37 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 -0.50 0.05 0.00 0.00 4.22 -1.80 0.45 114.58 117.00 1b8w h GLU 10 Ca -0.54 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.89 1b8w h GLU 10 Cb 1.72 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1b8w h GLU 10 CO -0.19 0.24 0.00 1.03 -2.18 0.00 0.00 179.01 177.92 1b8w h SER 11 N 0.04 0.00 -0.05 1.04 0.87 -1.92 -2.24 113.55 111.29 1b8w h SER 11 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1b8w h SER 11 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1b8w h SER 11 CO 0.03 0.00 0.00 2.30 -0.53 0.00 0.00 176.83 178.63 1b8w n ILE 12 N -2.57 0.06 -2.29 2.23 -5.35 -0.54 -4.97 119.36 105.94 1b8w n ILE 12 Ca 0.01 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1b8w n ILE 12 Cb 0.25 1.29 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 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 0.93 -1.90 -0.77 7.28 4.05 -0.84 -5.07 115.26 118.93 1b8w n ASN 13 Ca 0.10 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.13 1b8w n ASN 13 Cb 0.42 -0.48 0.00 0.00 1.23 0.00 0.00 39.78 40.95 1b8w n ASN 13 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1b8w n GLY 14 N -0.57 6.11 3.44 8.20 0.00 0.04 -4.76 105.19 117.65 1b8w n GLY 14 Ca 0.00 -2.02 -0.22 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.06 1.62 -0.39 1.61 0.11 -0.76 -4.27 120.40 118.26 1b8w s VAL 15 Ca 0.00 -2.10 -0.01 0.00 -2.93 0.00 0.00 61.98 56.94 1b8w s VAL 15 Cb 0.00 -2.53 0.11 0.00 -1.53 0.00 0.00 36.38 32.42 1b8w s VAL 15 CO 0.00 -0.24 0.16 0.00 -3.33 0.00 0.00 175.10 171.69 1b8w n ARG 17 N 4.51 2.72 -3.34 0.00 0.63 -0.09 -4.88 116.66 116.22 1b8w n ARG 17 Ca -0.01 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.55 1b8w n ARG 17 Cb 0.42 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.27 1b8w n ARG 17 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1b8w s HIS 18 N 1.05 3.72 -2.00 -0.14 3.76 -1.26 -1.09 115.29 119.33 1b8w s HIS 18 Ca 0.00 1.16 0.14 0.00 -0.15 0.00 0.00 55.06 56.21 1b8w s HIS 18 Cb 0.00 -2.42 0.85 0.00 1.11 0.00 0.00 32.58 32.12 1b8w s HIS 18 CO 0.00 0.54 1.37 0.36 -0.85 0.00 0.00 174.74 176.15 1b8w n LYS 19 N 1.40 0.74 -0.66 1.40 2.85 -1.25 -2.47 118.16 120.18 1b8w n LYS 19 Ca -0.09 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.22 1b8w n LYS 19 Cb 0.51 -1.30 0.08 0.00 -0.65 0.00 0.00 35.03 33.67 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 -0.80 1.15 0.00 -5.58 2.03 -1.26 -5.00 116.55 107.09 1b8w n ASP 20 Ca 0.11 -2.63 0.00 0.00 0.52 0.00 0.00 54.79 52.78 1b8w n ASP 20 Cb 0.05 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 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 -0.45 0.00 0.05 5.18 -1.04 -1.03 -5.04 114.28 111.95 1b8w n THR 21 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1b8w n THR 21 Cb 0.79 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 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 -1.85 12.58 3.14 -1.26 -4.97 118.33 125.97 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 0.12 0.00 -1.06 0.00 0.00 33.84 32.90 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 -2.69 1.42 -4.42 6.55 2.85 -1.26 -4.97 115.26 112.75 1b8w n ASN 23 Ca 0.00 -3.03 -0.45 0.00 -0.11 0.00 0.00 54.58 50.99 1b8w n ASN 23 Cb 0.00 -0.42 -0.01 0.00 1.24 0.00 0.00 39.78 40.59 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 5.26 0.00 -3.90 0.00 5.12 -1.26 -4.77 116.66 117.11 1b8w n ARG 25 Ca 0.27 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.87 1b8w n ARG 25 Cb 0.45 -0.82 -0.04 0.00 -1.16 0.00 0.00 32.46 30.89 1b8w n ARG 25 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1b8w s GLU 26 N 1.32 3.45 -0.97 5.56 2.12 -1.23 -1.37 118.70 127.58 1b8w s GLU 26 Ca 0.56 -0.36 -0.06 0.00 0.36 0.00 0.00 54.97 55.47 1b8w s GLU 26 Cb -0.79 -3.06 0.24 0.00 0.26 0.00 0.00 34.13 30.78 1b8w s GLU 26 CO 0.42 0.64 0.90 0.42 -0.54 0.00 0.00 175.26 177.10 1b8w s ILE 27 N -1.42 5.10 0.00 -3.70 1.01 -0.13 -4.85 121.20 117.20 1b8w s ILE 27 Ca 0.31 -3.56 0.00 0.00 0.00 0.00 0.00 60.65 57.40 1b8w s ILE 27 Cb -0.13 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1b8w s ILE 27 CO 0.23 -1.12 0.95 0.49 0.00 0.00 0.00 174.94 175.50 1b8w n PHE 28 N 2.63 0.00 -0.11 3.97 3.01 -1.26 -0.98 117.46 124.72 1b8w n PHE 28 Ca 0.21 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.73 1b8w n PHE 28 Cb 0.39 -0.45 0.11 0.00 -0.01 0.00 0.00 39.48 39.52 1b8w n PHE 28 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1b8w n LEU 29 N -2.69 -0.01 -4.97 4.37 4.77 -1.26 -4.19 117.00 113.02 1b8w n LEU 29 Ca 0.00 0.54 -0.21 0.00 -0.03 0.00 0.00 56.01 56.31 1b8w n LEU 29 Cb 0.00 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1b8w n LEU 29 CO 0.00 -0.55 0.05 0.00 -1.33 0.00 0.00 177.39 175.55 1b8w s ALA 30 N -4.96 3.97 0.47 -1.18 0.00 -0.15 -4.73 121.76 115.18 1b8w s ALA 30 Ca -0.04 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.73 1b8w s ALA 30 Cb 0.10 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 1b8w s ALA 30 CO 0.25 0.08 0.05 -0.51 0.00 0.00 0.00 175.76 175.62 1b8w s ASP 31 N -4.06 4.12 0.00 0.00 1.11 0.18 -4.63 116.67 113.39 1b8w s ASP 31 Ca 0.39 -1.48 0.00 0.00 0.18 0.00 0.00 52.55 51.64 1b8w s ASP 31 Cb -0.09 0.14 0.00 0.00 1.07 0.00 0.00 42.92 44.03 1b8w s ASP 31 CO 0.31 -0.72 0.00 0.00 1.18 0.00 0.00 175.17 175.94 1b8w n TYR 33 N 0.00 0.00 0.26 0.00 4.01 -1.26 -4.59 117.16 115.58 1b8w n TYR 33 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1b8w n TYR 33 Cb 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.09 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 -3.48 115.58 120.20 1b8w h ASN 34 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1b8w h ASN 34 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1b8w h ASN 34 CO 0.00 0.04 0.00 0.47 -1.65 0.00 0.00 177.43 176.29 1b8w n ASP 35 N -2.52 0.00 -0.10 5.81 8.00 -1.26 -4.61 116.55 121.87 1b8w n ASP 35 Ca 0.01 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.54 1b8w n ASP 35 Cb 0.51 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.61 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 -1.43 -0.16 3.78 0.44 0.00 -1.26 -5.03 105.19 101.54 1b8w n GLY 36 Ca 0.00 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.98 2.70 0.45 1.61 -0.21 -1.26 -3.77 119.66 118.20 1b8w s GLN 37 Ca 0.04 -1.23 0.01 0.00 0.02 0.00 0.00 55.36 54.20 1b8w s GLN 37 Cb 0.04 -2.42 -0.00 0.00 1.00 0.00 0.00 33.01 31.62 1b8w s GLN 37 CO 0.14 0.31 0.03 0.36 -2.12 0.00 0.00 175.29 174.00 1b8w n LYS 38 N -1.15 0.81 -3.18 2.91 2.85 -0.25 -4.21 118.16 115.94 1b8w n LYS 38 Ca -0.06 -3.35 -0.30 0.00 -1.05 0.00 0.00 58.31 53.55 1b8w n LYS 38 Cb 0.59 1.10 -0.04 0.00 -0.65 0.00 0.00 35.03 36.04 1b8w n LYS 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1b8w n ARG 41 N 1.38 1.87 0.00 0.00 1.74 -0.47 -1.82 116.66 119.36 1b8w n ARG 41 Ca -0.23 -1.44 0.00 0.00 -0.77 0.00 0.00 57.85 55.42 1b8w n ARG 41 Cb 0.56 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 1b8w n ARG 41 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74