#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8w s VAL 2 N 0.00 0.39 -0.03 -4.37 0.11 -1.26 -5.14 120.40 110.10 1b8w s VAL 2 Ca 0.00 -0.65 -0.25 0.00 -2.93 0.00 0.00 61.98 58.16 1b8w s VAL 2 Cb 0.00 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 1b8w s VAL 2 CO 0.00 -0.18 0.76 -1.58 -3.33 0.00 0.00 175.10 170.77 1b8w s GLN 3 N -0.89 4.47 -0.25 1.54 0.74 -1.26 -4.96 119.66 119.06 1b8w s GLN 3 Ca -0.05 1.00 0.02 0.00 0.05 0.00 0.00 55.36 56.38 1b8w s GLN 3 Cb -0.06 -3.43 -0.18 0.00 1.10 0.00 0.00 33.01 30.44 1b8w s GLN 3 CO -0.00 0.11 -0.18 -2.39 -0.55 0.00 0.00 175.29 172.28 1b8w n HIS 4 N 3.54 0.09 -4.12 1.67 -0.00 -1.26 -5.00 115.22 110.14 1b8w n HIS 4 Ca -0.01 0.02 -0.15 0.00 -0.00 0.00 0.00 57.72 57.59 1b8w n HIS 4 Cb 0.51 -1.01 -0.12 0.00 -0.00 0.00 0.00 29.99 29.36 1b8w n HIS 4 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1b8w s ARG 5 N -2.52 0.55 0.00 -1.40 1.70 -1.26 -5.12 118.95 110.90 1b8w s ARG 5 Ca -0.33 -0.62 0.00 0.00 -0.47 0.00 0.00 55.73 54.31 1b8w s ARG 5 Cb 0.09 -0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.06 1b8w s ARG 5 CO 0.62 0.09 0.13 -0.35 -1.08 0.00 0.00 175.30 174.71 1b8w n PRO 6 N 1.87 0.00 -3.75 3.89 -0.04 -1.26 -4.97 135.00 130.74 1b8w n PRO 6 Ca -0.20 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.13 1b8w n PRO 6 Cb 0.55 -0.58 -0.11 0.00 -0.04 0.00 0.00 33.50 33.32 1b8w n PRO 6 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1b8w s ARG 7 N -0.25 0.40 0.72 0.54 1.70 -1.26 -5.04 118.95 115.76 1b8w s ARG 7 Ca 0.00 0.50 -0.15 0.00 -0.47 0.00 0.00 55.73 55.62 1b8w s ARG 7 Cb 0.00 0.17 0.03 0.00 -0.57 0.00 0.00 34.95 34.59 1b8w s ARG 7 CO 0.00 -0.06 1.18 0.16 -1.08 0.00 0.00 175.30 175.50 1b8w s ASP 8 N 0.30 4.37 0.03 -2.89 -4.77 -1.26 0.79 116.67 113.24 1b8w s ASP 8 Ca -0.01 2.24 -0.22 0.00 -3.30 0.00 0.00 52.55 51.27 1b8w s ASP 8 Cb -0.03 -2.58 -0.16 0.00 -1.09 0.00 0.00 42.92 39.07 1b8w s ASP 8 CO -0.01 -2.14 1.34 0.00 0.70 0.00 0.00 175.17 175.06 1b8w h GLU 10 N -0.12 0.22 0.00 0.00 4.22 -1.81 0.50 114.58 117.59 1b8w h GLU 10 Ca 0.02 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.41 1b8w h GLU 10 Cb 0.61 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1b8w h GLU 10 CO 0.03 0.38 0.00 0.45 -2.18 0.00 0.00 179.01 177.68 1b8w n SER 11 N -4.26 0.52 -0.86 1.04 2.88 -1.18 -2.22 113.62 109.53 1b8w n SER 11 Ca -0.01 0.60 0.10 0.00 -1.33 0.00 0.00 58.87 58.23 1b8w n SER 11 Cb 0.28 -0.72 0.12 0.00 -0.75 0.00 0.00 64.21 63.14 1b8w n SER 11 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1b8w n ILE 12 N -2.04 0.19 -2.21 2.46 -6.64 -0.58 -4.95 119.36 105.60 1b8w n ILE 12 Ca 0.04 -0.60 -0.01 0.00 -1.77 0.00 0.00 62.75 60.42 1b8w n ILE 12 Cb 0.29 1.24 0.00 0.00 -1.44 0.00 0.00 39.64 39.73 1b8w n ILE 12 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 1b8w n ASN 13 N 1.16 -1.52 -3.69 7.28 5.15 -0.94 -5.06 115.26 117.63 1b8w n ASN 13 Ca 0.13 -0.01 -0.20 0.00 -0.60 0.00 0.00 54.58 53.91 1b8w n ASN 13 Cb 0.51 -0.64 -0.04 0.00 -0.53 0.00 0.00 39.78 39.08 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 -0.83 3.66 3.70 8.20 0.00 0.06 -4.82 105.19 115.16 1b8w n GLY 14 Ca -0.00 -2.30 -0.23 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.08 3.01 -0.40 1.61 0.11 -0.70 -4.08 120.40 117.87 1b8w s VAL 15 Ca 0.03 -1.79 0.02 0.00 -2.93 0.00 0.00 61.98 57.31 1b8w s VAL 15 Cb -0.00 -2.92 0.11 0.00 -1.53 0.00 0.00 36.38 32.04 1b8w s VAL 15 CO 0.02 -0.22 0.14 0.00 -3.33 0.00 0.00 175.10 171.71 1b8w n ARG 17 N 4.16 3.53 -3.33 0.00 3.00 -0.35 -4.85 116.66 118.82 1b8w n ARG 17 Ca 0.03 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.49 1b8w n ARG 17 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.80 1b8w n ARG 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1b8w s HIS 18 N 1.78 3.79 -2.00 -0.14 2.46 -1.26 -1.37 115.29 118.55 1b8w s HIS 18 Ca 0.00 1.21 0.07 0.00 0.47 0.00 0.00 55.06 56.81 1b8w s HIS 18 Cb 0.00 -2.45 0.40 0.00 -0.13 0.00 0.00 32.58 30.40 1b8w s HIS 18 CO 0.00 0.60 0.99 0.36 -2.47 0.00 0.00 174.74 174.23 1b8w n LYS 19 N 1.75 0.69 -0.47 2.88 2.85 -1.21 -2.29 118.16 122.36 1b8w n LYS 19 Ca -0.11 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.18 1b8w n LYS 19 Cb 0.51 -1.15 0.05 0.00 -0.65 0.00 0.00 35.03 33.79 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 -0.65 0.79 0.00 -5.58 -0.08 -1.26 -5.02 116.55 104.75 1b8w n ASP 20 Ca 0.05 -2.37 0.00 0.00 -1.51 0.00 0.00 54.79 50.96 1b8w n ASP 20 Cb 0.02 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.20 1b8w n ASP 20 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1b8w n THR 21 N -0.40 0.00 0.04 5.18 -1.04 -0.97 -5.03 114.28 112.06 1b8w n THR 21 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1b8w n THR 21 Cb 0.72 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 -2.06 12.58 3.14 -1.26 -4.98 118.33 125.75 1b8w n VAL 22 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 1b8w n VAL 22 Cb 0.00 0.00 0.08 0.00 -1.06 0.00 0.00 33.84 32.86 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 -2.66 2.95 -4.04 6.55 2.85 -1.26 -4.92 115.26 114.73 1b8w n ASN 23 Ca 0.00 -3.34 -0.38 0.00 -0.11 0.00 0.00 54.58 50.75 1b8w n ASN 23 Cb 0.00 -0.42 -0.04 0.00 1.24 0.00 0.00 39.78 40.56 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 1.99 0.00 -3.91 0.00 1.74 -1.26 -4.69 116.66 110.53 1b8w n ARG 25 Ca 0.24 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.98 1b8w n ARG 25 Cb 0.37 -0.22 -0.05 0.00 -1.02 0.00 0.00 32.46 31.54 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 0.27 3.42 -1.05 5.56 2.12 -1.23 -1.54 118.70 126.24 1b8w s GLU 26 Ca 0.15 -0.29 -0.09 0.00 0.36 0.00 0.00 54.97 55.10 1b8w s GLU 26 Cb -0.21 -3.10 0.26 0.00 0.26 0.00 0.00 34.13 31.34 1b8w s GLU 26 CO 0.11 0.70 1.02 0.42 -0.54 0.00 0.00 175.26 176.97 1b8w s ILE 27 N -1.25 5.74 0.04 -3.70 1.01 -0.01 -4.86 121.20 118.17 1b8w s ILE 27 Ca 0.24 -3.36 -0.07 0.00 0.00 0.00 0.00 60.65 57.46 1b8w s ILE 27 Cb -0.12 -4.47 -0.02 0.00 0.01 0.00 0.00 42.46 37.86 1b8w s ILE 27 CO 0.15 -1.15 1.13 -0.26 0.00 0.00 0.00 174.94 174.80 1b8w h PHE 28 N 6.73 -0.44 -0.49 3.97 0.04 -1.97 0.05 116.94 124.84 1b8w h PHE 28 Ca 0.16 0.03 0.11 0.00 2.80 0.00 0.00 57.97 61.07 1b8w h PHE 28 Cb 0.89 0.22 -0.09 0.00 2.20 0.00 0.00 35.95 39.17 1b8w h PHE 28 CO 0.79 -0.09 -0.08 1.28 -0.60 0.00 0.00 178.31 179.61 1b8w n LEU 29 N -3.49 -0.14 -4.91 1.54 4.77 -1.26 -4.18 117.00 109.32 1b8w n LEU 29 Ca 0.00 0.83 -0.32 0.00 -0.03 0.00 0.00 56.01 56.50 1b8w n LEU 29 Cb 0.06 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1b8w n LEU 29 CO -0.03 -0.81 -0.11 0.00 -1.33 0.00 0.00 177.39 175.10 1b8w s ALA 30 N -5.51 3.95 0.57 -1.18 0.00 0.00 -4.04 121.76 115.55 1b8w s ALA 30 Ca -0.07 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.19 1b8w s ALA 30 Cb 0.13 -1.91 0.06 0.00 0.00 0.00 0.00 23.12 21.41 1b8w s ALA 30 CO 0.38 0.78 0.50 -0.51 0.00 0.00 0.00 175.76 176.91 1b8w s ASP 31 N -2.35 4.70 0.00 0.00 1.01 0.24 -4.42 116.67 115.84 1b8w s ASP 31 Ca 0.34 -1.21 0.00 0.00 0.71 0.00 0.00 52.55 52.40 1b8w s ASP 31 Cb -0.13 0.51 0.00 0.00 1.01 0.00 0.00 42.92 44.31 1b8w s ASP 31 CO 0.25 -1.22 0.00 0.00 0.21 0.00 0.00 175.17 174.41 1b8w n TYR 33 N 0.00 0.00 0.17 0.00 4.01 -1.26 -4.56 117.16 115.52 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 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 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 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1b8w h ASN 34 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1b8w h ASN 34 CO 0.00 0.02 0.00 -0.67 -1.65 0.00 0.00 177.43 175.13 1b8w n ASP 35 N -2.62 0.00 -0.16 5.81 -0.08 -1.26 -4.63 116.55 113.61 1b8w n ASP 35 Ca 0.01 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.34 1b8w n ASP 35 Cb 0.53 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.98 1b8w n ASP 35 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b8w n GLY 36 N -0.59 -0.08 3.73 0.27 0.00 -1.26 -5.00 105.19 102.26 1b8w n GLY 36 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.55 2.67 0.40 1.61 -0.21 -1.26 -3.28 119.66 118.04 1b8w s GLN 37 Ca 0.07 -0.88 0.01 0.00 0.02 0.00 0.00 55.36 54.58 1b8w s GLN 37 Cb 0.08 -2.56 0.01 0.00 1.00 0.00 0.00 33.01 31.53 1b8w s GLN 37 CO 0.30 0.51 0.05 0.36 -2.12 0.00 0.00 175.29 174.40 1b8w n LYS 38 N 0.15 1.01 -3.24 2.91 2.85 -0.47 -3.93 118.16 117.44 1b8w n LYS 38 Ca -0.09 -2.84 -0.31 0.00 -1.05 0.00 0.00 58.31 54.01 1b8w n LYS 38 Cb 0.53 0.69 -0.05 0.00 -0.65 0.00 0.00 35.03 35.55 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 1.77 1.73 0.00 0.00 3.00 -0.59 -1.72 116.66 120.86 1b8w n ARG 41 Ca -0.22 -1.05 0.00 0.00 -0.01 0.00 0.00 57.85 56.56 1b8w n ARG 41 Cb 0.56 -2.13 0.00 0.00 0.00 0.00 0.00 32.46 30.89 1b8w n ARG 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26