#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb1 n ASP 10 N 0.00 -5.25 -3.32 4.38 2.03 -1.26 -4.96 116.55 108.17 2wb1 n ASP 10 Ca 0.00 1.05 -0.37 0.00 0.52 0.00 0.00 54.79 55.99 2wb1 n ASP 10 Cb 0.00 -3.28 0.01 0.00 -0.72 0.00 0.00 41.12 37.13 2wb1 n ASP 10 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2wb1 n PRO 11 N 1.79 4.46 0.00 -0.67 -0.04 -1.26 -5.03 135.00 134.24 2wb1 n PRO 11 Ca -0.13 -4.51 0.00 0.00 -0.04 0.00 0.00 63.50 58.82 2wb1 n PRO 11 Cb 0.30 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 2wb1 n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wb1 n ARG 12 N -0.20 2.75 -1.40 0.54 5.12 -1.26 -4.72 116.66 117.49 2wb1 n ARG 12 Ca 0.45 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.24 2wb1 n ARG 12 Cb 0.30 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.49 2wb1 n ARG 12 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 2wb1 n ILE 13 N 0.00 0.00 -3.52 0.55 0.13 -1.26 -4.69 119.36 110.57 2wb1 n ILE 13 Ca 0.00 -0.39 -0.28 0.00 -1.10 0.00 0.00 62.75 60.97 2wb1 n ILE 13 Cb 0.00 -0.91 -0.12 0.00 -0.84 0.00 0.00 39.64 37.77 2wb1 n ILE 13 CO 0.00 0.00 0.00 -1.00 2.80 0.00 0.00 176.55 178.35 2wb1 s HIS 14 N 7.38 1.28 0.00 9.51 3.76 -1.26 -4.96 115.29 131.01 2wb1 s HIS 14 Ca 0.78 -2.11 0.00 0.00 -0.15 0.00 0.00 55.06 53.58 2wb1 s HIS 14 Cb -0.29 -1.24 0.00 0.00 1.11 0.00 0.00 32.58 32.16 2wb1 s HIS 14 CO 0.22 -0.80 0.00 0.98 -0.85 0.00 0.00 174.74 174.29 2wb1 n TYR 15 N 3.46 0.00 -0.10 1.40 9.36 -1.26 -4.29 117.16 125.73 2wb1 n TYR 15 Ca 0.17 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.25 2wb1 n TYR 15 Cb 0.39 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.02 2wb1 n TYR 15 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2wb1 n LEU 16 N 0.00 2.94 -4.67 2.98 4.32 -1.26 -4.99 117.00 116.32 2wb1 n LEU 16 Ca 0.00 -0.09 -0.43 0.00 -0.02 0.00 0.00 56.01 55.47 2wb1 n LEU 16 Cb 0.00 -0.68 -0.02 0.00 -1.62 0.00 0.00 43.42 41.10 2wb1 n LEU 16 CO 0.00 0.82 0.96 0.54 -1.22 0.00 0.00 177.39 178.48 2wb1 s VAL 17 N -2.39 4.53 0.64 4.08 0.11 -1.26 -5.03 120.40 121.08 2wb1 s VAL 17 Ca -0.26 1.84 -0.10 0.00 -2.93 0.00 0.00 61.98 60.53 2wb1 s VAL 17 Cb 0.07 -4.19 -0.01 0.00 -1.53 0.00 0.00 36.38 30.72 2wb1 s VAL 17 CO 0.44 -0.13 1.02 -2.16 -3.33 0.00 0.00 175.10 170.95 2wb1 s PRO 18 N 3.04 3.25 -0.26 1.54 0.04 -1.26 -4.00 135.00 137.35 2wb1 s PRO 18 Ca 0.49 0.52 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 2wb1 s PRO 18 Cb -0.18 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.26 2wb1 s PRO 18 CO 0.12 -0.72 1.15 0.15 0.04 0.00 0.00 177.00 177.73 2wb1 s LYS 19 N -5.19 4.12 0.03 4.56 1.02 -1.20 -4.88 119.74 118.21 2wb1 s LYS 19 Ca 0.55 1.30 -0.17 0.00 0.02 0.00 0.00 55.97 57.67 2wb1 s LYS 19 Cb -0.11 -3.74 -0.06 0.00 -0.52 0.00 0.00 37.83 33.40 2wb1 s LYS 19 CO 0.51 -0.83 0.49 -1.01 -0.92 0.00 0.00 175.35 173.59 2wb1 s HIS 20 N 3.64 3.76 -0.01 3.18 3.76 -1.26 -1.59 115.29 126.77 2wb1 s HIS 20 Ca 0.49 1.12 0.03 0.00 -0.15 0.00 0.00 55.06 56.55 2wb1 s HIS 20 Cb -0.16 -2.40 -0.01 0.00 1.11 0.00 0.00 32.58 31.13 2wb1 s HIS 20 CO 0.14 0.60 -0.09 -1.21 -0.85 0.00 0.00 174.74 173.33 2wb1 s GLU 21 N -1.02 0.75 0.53 1.40 2.02 -0.84 -4.94 118.70 116.59 2wb1 s GLU 21 Ca 0.26 -0.32 -0.12 0.00 0.02 0.00 0.00 54.97 54.81 2wb1 s GLU 21 Cb -0.18 -0.72 -0.06 0.00 0.10 0.00 0.00 34.13 33.27 2wb1 s GLU 21 CO 0.16 0.18 0.95 0.08 0.02 0.00 0.00 175.26 176.65 2wb1 s VAL 22 N -0.15 4.68 -0.09 2.63 1.01 -1.26 0.81 120.40 128.02 2wb1 s VAL 22 Ca 0.03 0.90 0.02 0.00 0.00 0.00 0.00 61.98 62.93 2wb1 s VAL 22 Cb -0.04 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2wb1 s VAL 22 CO -0.00 -0.85 -0.16 -0.76 0.00 0.00 0.00 175.10 173.33 2wb1 s LEU 23 N -4.51 2.58 0.27 3.92 1.43 -1.11 -4.85 118.68 116.40 2wb1 s LEU 23 Ca 0.55 -0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 53.02 2wb1 s LEU 23 Cb -0.10 -1.54 -0.12 0.00 0.03 0.00 0.00 46.19 44.45 2wb1 s LEU 23 CO 0.41 0.24 1.50 -1.20 0.23 0.00 0.00 176.35 177.53 2wb1 n SER 24 N 3.01 3.32 -0.47 2.29 7.64 -1.26 -4.68 113.62 123.46 2wb1 n SER 24 Ca -0.18 1.14 0.39 0.00 1.01 0.00 0.00 58.87 61.24 2wb1 n SER 24 Cb 0.52 -1.51 0.68 0.00 -1.01 0.00 0.00 64.21 62.89 2wb1 n SER 24 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2wb1 h ILE 25 N 3.20 0.13 0.69 0.44 1.08 -1.98 -0.85 117.51 120.22 2wb1 h ILE 25 Ca -0.46 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 63.95 2wb1 h ILE 25 Cb 1.25 0.05 0.01 0.00 -3.07 0.00 0.00 36.82 35.05 2wb1 h ILE 25 CO 0.78 0.01 -0.33 0.44 -0.69 0.00 0.00 178.15 178.36 2wb1 h ASP 26 N 0.08 -0.79 1.83 1.72 3.32 -2.01 -2.36 116.42 118.20 2wb1 h ASP 26 Ca 0.82 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.83 2wb1 h ASP 26 Cb 2.71 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 42.46 2wb1 h ASP 26 CO -0.34 -0.48 -0.17 1.05 -1.72 0.00 0.00 179.24 177.58 2wb1 h GLU 27 N -1.07 0.00 -0.14 3.56 4.11 -1.76 -3.06 114.58 116.22 2wb1 h GLU 27 Ca -0.10 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.23 2wb1 h GLU 27 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2wb1 h GLU 27 CO 0.16 0.17 -0.39 0.00 0.07 0.00 0.00 179.01 179.01 2wb1 h ALA 28 N 1.83 1.08 -0.14 1.06 0.00 -1.24 -3.15 119.26 118.72 2wb1 h ALA 28 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2wb1 h ALA 28 Cb 1.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2wb1 h ALA 28 CO 0.02 0.59 0.09 -0.92 0.00 0.00 0.00 179.25 179.03 2wb1 h TYR 29 N 0.25 0.17 0.00 0.00 3.20 -1.31 -2.05 116.97 117.23 2wb1 h TYR 29 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2wb1 h TYR 29 Cb 0.80 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2wb1 h TYR 29 CO 0.02 0.11 0.00 -0.22 -1.64 0.00 0.00 178.16 176.43 2wb1 h LYS 30 N 0.19 0.00 0.10 1.82 3.64 -1.62 -2.15 116.57 118.54 2wb1 h LYS 30 Ca 0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2wb1 h LYS 30 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2wb1 h LYS 30 CO -0.01 0.00 -0.05 0.82 -2.27 0.00 0.00 179.45 177.94 2wb1 h ILE 31 N 0.00 0.50 0.00 2.00 2.04 -1.39 -3.20 117.51 117.47 2wb1 h ILE 31 Ca 0.00 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.65 2wb1 h ILE 31 Cb 0.27 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2wb1 h ILE 31 CO 0.00 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.49 2wb1 n LEU 32 N -4.84 0.08 -0.01 1.44 4.77 -0.82 -0.84 117.00 116.78 2wb1 n LEU 32 Ca -0.04 0.52 -0.16 0.00 -0.03 0.00 0.00 56.01 56.30 2wb1 n LEU 32 Cb 0.18 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.61 2wb1 n LEU 32 CO 0.14 -0.34 -0.72 1.17 -1.33 0.00 0.00 177.39 176.31 2wb1 n LYS 33 N -1.59 0.70 -0.02 3.23 4.81 -0.84 -1.82 118.16 122.63 2wb1 n LYS 33 Ca 0.03 0.27 -0.14 0.00 -0.87 0.00 0.00 58.31 57.59 2wb1 n LYS 33 Cb 0.14 -1.73 -0.02 0.00 0.02 0.00 0.00 35.03 33.44 2wb1 n LYS 33 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2wb1 h GLU 34 N 0.04 0.71 0.00 1.64 4.39 -1.26 -2.55 114.58 117.54 2wb1 h GLU 34 Ca -0.38 -0.52 -0.05 0.00 0.34 0.00 0.00 59.36 58.76 2wb1 h GLU 34 Cb 2.03 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.76 2wb1 h GLU 34 CO 0.08 1.14 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.77 2wb1 h LEU 35 N 0.51 0.00 -2.56 1.33 3.38 -1.17 -3.48 115.31 113.33 2wb1 h LEU 35 Ca -0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.66 2wb1 h LEU 35 Cb 1.27 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.19 2wb1 h LEU 35 CO 0.13 0.22 -0.87 0.61 0.09 0.00 0.00 178.44 178.62 2wb1 n GLY 36 N 0.31 -1.09 3.07 0.83 0.00 -0.96 -5.03 105.19 102.32 2wb1 n GLY 36 Ca 0.01 0.54 -0.08 0.00 0.00 0.00 0.00 46.02 46.49 2wb1 n GLY 36 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wb1 s ILE 37 N -3.41 0.19 0.56 -0.61 -4.36 -0.75 -5.03 121.20 107.79 2wb1 s ILE 37 Ca 0.44 -1.56 -0.18 0.00 -0.26 0.00 0.00 60.65 59.09 2wb1 s ILE 37 Cb -0.08 -1.22 -0.05 0.00 1.25 0.00 0.00 42.46 42.36 2wb1 s ILE 37 CO 0.76 -0.86 1.08 -0.13 0.24 0.00 0.00 174.94 176.03 2wb1 s ARG 38 N -3.33 3.40 0.20 0.37 0.52 -1.26 -4.76 118.95 114.09 2wb1 s ARG 38 Ca 0.01 1.38 0.21 0.00 -0.52 0.00 0.00 55.73 56.81 2wb1 s ARG 38 Cb 0.04 -2.03 0.88 0.00 0.52 0.00 0.00 34.95 34.36 2wb1 s ARG 38 CO -0.08 -0.76 1.63 -0.35 0.02 0.00 0.00 175.30 175.75 2wb1 n PRO 39 N -1.57 0.14 -0.06 3.54 -0.04 -1.26 -2.32 135.00 133.43 2wb1 n PRO 39 Ca 0.10 0.41 0.09 0.00 -0.04 0.00 0.00 63.50 64.06 2wb1 n PRO 39 Cb 0.52 -1.78 0.39 0.00 -0.04 0.00 0.00 33.50 32.58 2wb1 n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wb1 n GLU 40 N -2.05 1.50 0.00 0.54 4.71 -1.26 -3.46 120.64 120.62 2wb1 n GLU 40 Ca 0.02 -0.76 0.12 0.00 -0.01 0.00 0.00 57.16 56.53 2wb1 n GLU 40 Cb 0.19 -1.34 0.26 0.00 -1.01 0.00 0.00 31.44 29.54 2wb1 n GLU 40 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2wb1 n GLN 41 N -0.00 1.19 -2.77 3.49 6.02 -0.98 -4.89 117.38 119.44 2wb1 n GLN 41 Ca 0.14 -0.83 -0.30 0.00 -0.01 0.00 0.00 57.00 56.00 2wb1 n GLN 41 Cb 0.24 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 2wb1 n GLN 41 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wb1 s LEU 42 N -2.38 3.79 0.49 1.08 1.43 -1.22 -5.00 118.68 116.86 2wb1 s LEU 42 Ca 0.25 1.19 0.37 0.00 -1.03 0.00 0.00 54.13 54.90 2wb1 s LEU 42 Cb 0.19 -4.08 1.53 0.00 0.03 0.00 0.00 46.19 43.86 2wb1 s LEU 42 CO 0.49 -0.44 1.64 -0.65 0.23 0.00 0.00 176.35 177.62 2wb1 h PRO 43 N 1.15 0.06 -0.02 1.29 0.11 -1.90 -3.42 132.00 129.26 2wb1 h PRO 43 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wb1 h PRO 43 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2wb1 h PRO 43 CO 0.63 0.04 -0.01 0.91 -0.21 0.00 0.00 178.00 179.37 2wb1 n TRP 44 N -4.40 -0.02 -3.94 0.65 8.01 -1.26 -4.87 117.44 111.62 2wb1 n TRP 44 Ca 0.37 0.01 -0.11 0.00 -1.31 0.00 0.00 57.50 56.47 2wb1 n TRP 44 Cb 1.57 -0.04 -0.13 0.00 -2.01 0.00 0.00 31.31 30.70 2wb1 n TRP 44 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 2wb1 s ILE 45 N -3.06 0.08 0.65 -0.99 1.01 -1.26 -4.59 121.20 113.04 2wb1 s ILE 45 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 2wb1 s ILE 45 Cb 0.00 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 42.29 2wb1 s ILE 45 CO 0.00 -0.24 1.05 -0.13 0.00 0.00 0.00 174.94 175.62 2wb1 s ARG 46 N -0.72 3.24 0.18 2.79 0.52 -1.26 0.83 118.95 124.53 2wb1 s ARG 46 Ca -0.08 0.95 -0.09 0.00 -0.52 0.00 0.00 55.73 55.99 2wb1 s ARG 46 Cb -0.05 -2.03 0.06 0.00 0.52 0.00 0.00 34.95 33.45 2wb1 s ARG 46 CO -0.00 -0.85 1.60 0.00 0.02 0.00 0.00 175.30 176.06 2wb1 h ALA 47 N -0.29 0.78 -0.54 2.13 0.00 -1.94 -3.05 119.26 116.35 2wb1 h ALA 47 Ca -0.45 -0.36 0.13 0.00 0.00 0.00 0.00 54.91 54.24 2wb1 h ALA 47 Cb 1.20 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2wb1 h ALA 47 CO 0.58 0.67 0.37 0.77 0.00 0.00 0.00 179.25 181.65 2wb1 h SER 48 N 0.88 0.12 -1.58 0.00 0.02 -1.97 -3.39 113.55 107.63 2wb1 h SER 48 Ca 0.13 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.37 2wb1 h SER 48 Cb 0.70 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.23 2wb1 h SER 48 CO 0.05 0.07 0.99 -0.67 -1.14 0.00 0.00 176.83 176.13 2wb1 n ASP 49 N -4.42 2.55 -0.21 3.07 4.64 -1.15 -4.74 116.55 116.29 2wb1 n ASP 49 Ca 0.09 1.00 0.30 0.00 -1.38 0.00 0.00 54.79 54.81 2wb1 n ASP 49 Cb 0.51 -1.19 0.73 0.00 -1.04 0.00 0.00 41.12 40.14 2wb1 n ASP 49 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2wb1 h PRO 50 N 8.00 0.00 0.06 -0.67 0.13 -1.91 0.91 132.00 138.52 2wb1 h PRO 50 Ca -0.45 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 2wb1 h PRO 50 Cb 1.31 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.46 2wb1 h PRO 50 CO 0.97 0.00 -0.84 0.28 -0.23 0.00 0.00 178.00 178.18 2wb1 h VAL 51 N 0.00 1.40 -0.75 1.56 2.07 -1.89 -2.62 116.25 116.02 2wb1 h VAL 51 Ca 0.46 -2.29 -0.05 0.00 0.82 0.00 0.00 66.70 65.64 2wb1 h VAL 51 Cb 1.90 2.76 -0.03 0.00 -1.52 0.00 0.00 31.29 34.39 2wb1 h VAL 51 CO -0.00 0.67 0.29 0.00 0.02 0.00 0.00 177.57 178.54 2wb1 h ALA 52 N 0.26 0.98 -0.89 1.67 0.00 -1.25 0.35 119.26 120.37 2wb1 h ALA 52 Ca -0.12 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2wb1 h ALA 52 Cb 1.57 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2wb1 h ALA 52 CO 0.16 0.62 0.59 0.00 0.00 0.00 0.00 179.25 180.62 2wb1 h ARG 53 N 1.09 1.17 -0.17 0.00 2.47 -1.06 -0.96 114.38 116.93 2wb1 h ARG 53 Ca 0.25 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.75 2wb1 h ARG 53 Cb 0.24 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2wb1 h ARG 53 CO -0.02 0.78 -0.45 1.03 0.56 0.00 0.00 179.97 181.87 2wb1 h SER 54 N 1.21 0.70 0.82 7.04 0.87 -0.89 -3.12 113.55 120.18 2wb1 h SER 54 Ca 0.33 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2wb1 h SER 54 Cb -0.14 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.62 2wb1 h SER 54 CO -0.07 1.15 0.00 0.00 -0.53 0.00 0.00 176.83 177.38 2wb1 n ILE 55 N -4.22 0.29 -3.58 2.23 0.13 0.11 -4.96 119.36 109.37 2wb1 n ILE 55 Ca -0.06 0.07 -0.24 0.00 -1.10 0.00 0.00 62.75 61.42 2wb1 n ILE 55 Cb 0.57 -0.65 0.03 0.00 -0.84 0.00 0.00 39.64 38.75 2wb1 n ILE 55 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 2wb1 n ASN 56 N -1.48 -5.72 -4.94 9.51 3.02 -0.39 -5.01 115.26 110.24 2wb1 n ASN 56 Ca 0.06 -0.82 -0.23 0.00 -0.03 0.00 0.00 54.58 53.56 2wb1 n ASN 56 Cb 0.28 -3.38 -0.03 0.00 -0.61 0.00 0.00 39.78 36.04 2wb1 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wb1 s ALA 57 N -3.27 3.89 -0.13 5.41 0.00 -1.03 -5.06 121.76 121.57 2wb1 s ALA 57 Ca 0.28 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 2wb1 s ALA 57 Cb -0.10 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 2wb1 s ALA 57 CO 0.85 0.36 0.10 0.15 0.00 0.00 0.00 175.76 177.22 2wb1 s LYS 58 N -3.65 3.46 -0.13 0.00 1.02 -1.26 -4.94 119.74 114.23 2wb1 s LYS 58 Ca 0.34 -0.22 -0.11 0.00 0.02 0.00 0.00 55.97 55.99 2wb1 s LYS 58 Cb -0.10 -3.12 -0.13 0.00 -0.52 0.00 0.00 37.83 33.96 2wb1 s LYS 58 CO 0.28 0.67 1.34 -2.30 -0.92 0.00 0.00 175.35 174.42 2wb1 n PRO 59 N 2.31 0.27 0.00 -1.68 -0.02 -1.26 -0.40 135.00 134.23 2wb1 n PRO 59 Ca -0.19 -0.82 0.00 0.00 -2.02 0.00 0.00 63.50 60.47 2wb1 n PRO 59 Cb 0.54 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2wb1 n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wb1 n GLY 60 N 4.32 0.00 3.77 -1.23 0.00 -1.26 -4.87 105.19 105.92 2wb1 n GLY 60 Ca 0.21 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2wb1 n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb1 s ASP 61 N -0.14 5.78 -0.13 1.61 1.11 0.47 -5.02 116.67 120.34 2wb1 s ASP 61 Ca 0.00 2.33 -0.03 0.00 0.18 0.00 0.00 52.55 55.02 2wb1 s ASP 61 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 2wb1 s ASP 61 CO 0.00 -1.19 -0.01 0.27 1.18 0.00 0.00 175.17 175.42 2wb1 s ILE 62 N -1.60 4.13 0.28 0.77 -4.36 -1.26 -4.51 121.20 114.66 2wb1 s ILE 62 Ca 0.70 -0.29 -0.13 0.00 -0.26 0.00 0.00 60.65 60.66 2wb1 s ILE 62 Cb -0.29 -2.78 -0.08 0.00 1.25 0.00 0.00 42.46 40.56 2wb1 s ILE 62 CO 0.33 0.53 0.66 -0.63 0.24 0.00 0.00 174.94 176.08 2wb1 s ILE 63 N -0.12 4.77 -0.54 8.37 1.09 -0.40 -2.77 121.20 131.60 2wb1 s ILE 63 Ca 0.04 0.78 0.04 0.00 -1.10 0.00 0.00 60.65 60.40 2wb1 s ILE 63 Cb -0.13 -3.62 0.15 0.00 -1.06 0.00 0.00 42.46 37.80 2wb1 s ILE 63 CO 0.02 -0.12 0.34 -0.60 -0.10 0.00 0.00 174.94 174.48 2wb1 s ARG 64 N -2.87 1.74 -0.33 2.79 3.52 0.24 -2.15 118.95 121.89 2wb1 s ARG 64 Ca 0.51 -2.57 -0.27 0.00 -0.13 0.00 0.00 55.73 53.27 2wb1 s ARG 64 Cb -0.11 -2.74 0.01 0.00 -1.56 0.00 0.00 34.95 30.56 2wb1 s ARG 64 CO 0.19 -1.22 0.99 0.42 -0.81 0.00 0.00 175.30 174.87 2wb1 s ILE 65 N -0.39 4.57 -0.30 4.11 1.09 -1.06 -1.99 121.20 127.24 2wb1 s ILE 65 Ca 0.22 1.51 -0.10 0.00 -1.10 0.00 0.00 60.65 61.18 2wb1 s ILE 65 Cb -0.14 -4.35 -0.01 0.00 -1.06 0.00 0.00 42.46 36.89 2wb1 s ILE 65 CO -0.08 -0.46 0.15 -0.63 -0.10 0.00 0.00 174.94 173.82 2wb1 s ILE 66 N 3.50 4.64 0.22 2.92 1.01 -0.62 -2.06 121.20 130.81 2wb1 s ILE 66 Ca 0.41 -0.34 0.10 0.00 0.00 0.00 0.00 60.65 60.83 2wb1 s ILE 66 Cb -0.12 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2wb1 s ILE 66 CO 0.16 0.11 -0.12 0.00 0.00 0.00 0.00 174.94 175.09 2wb1 s ARG 67 N 1.63 1.94 0.35 2.79 1.70 -0.68 -3.25 118.95 123.43 2wb1 s ARG 67 Ca 0.05 -1.45 -0.28 0.00 -0.47 0.00 0.00 55.73 53.58 2wb1 s ARG 67 Cb -0.17 -2.03 -0.10 0.00 -0.57 0.00 0.00 34.95 32.09 2wb1 s ARG 67 CO 0.06 0.39 1.27 0.15 -1.08 0.00 0.00 175.30 176.10 2wb1 s LYS 68 N -3.13 4.28 -0.05 3.89 1.02 -1.26 -0.92 119.74 123.56 2wb1 s LYS 68 Ca 0.27 2.12 0.06 0.00 0.02 0.00 0.00 55.97 58.44 2wb1 s LYS 68 Cb -0.07 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 2wb1 s LYS 68 CO 0.15 -0.22 -0.25 0.45 -0.92 0.00 0.00 175.35 174.57 2wb1 s SER 69 N -0.64 3.00 0.53 2.83 0.15 0.11 -4.79 113.70 114.89 2wb1 s SER 69 Ca 0.51 -0.50 0.24 0.00 0.70 0.00 0.00 55.95 56.90 2wb1 s SER 69 Cb -0.38 -0.79 1.48 0.00 -1.71 0.00 0.00 66.02 64.62 2wb1 s SER 69 CO 0.49 0.24 2.14 1.56 1.20 0.00 0.00 173.24 178.87 2wb1 h GLN 70 N 6.04 0.00 0.00 5.44 7.50 -1.97 -3.33 115.11 128.79 2wb1 h GLN 70 Ca -0.32 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 58.65 2wb1 h GLN 70 Cb 1.17 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.67 2wb1 h GLN 70 CO 0.47 0.07 -1.62 1.28 -1.50 0.00 0.00 178.83 177.53 2wb1 n LEU 71 N -3.98 2.33 -0.31 1.46 4.77 -1.26 -4.83 117.00 115.17 2wb1 n LEU 71 Ca -0.03 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 2wb1 n LEU 71 Cb 0.16 -0.37 0.15 0.00 -2.33 0.00 0.00 43.42 41.03 2wb1 n LEU 71 CO 0.31 0.55 0.60 0.00 -1.33 0.00 0.00 177.39 177.51 2wb1 n TYR 72 N -3.03 0.28 0.00 -1.77 -0.00 -1.26 -5.04 117.16 106.34 2wb1 n TYR 72 Ca -0.20 -0.84 0.00 0.00 -0.00 0.00 0.00 57.90 56.85 2wb1 n TYR 72 Cb 0.69 -0.17 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 2wb1 n TYR 72 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2wb1 n GLY 73 N -0.89 1.85 3.06 2.98 0.00 -1.25 -4.64 105.19 106.31 2wb1 n GLY 73 Ca 0.14 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 2wb1 n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wb1 s GLU 74 N 0.00 1.63 -0.07 1.61 2.02 -1.26 0.07 118.70 122.69 2wb1 s GLU 74 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2wb1 s GLU 74 Cb 0.00 -1.39 -0.03 0.00 0.10 0.00 0.00 34.13 32.81 2wb1 s GLU 74 CO 0.00 0.12 -0.05 0.08 0.02 0.00 0.00 175.26 175.44 2wb1 s VAL 75 N 0.35 3.90 -0.18 2.63 1.01 -0.10 -4.92 120.40 123.08 2wb1 s VAL 75 Ca -0.09 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2wb1 s VAL 75 Cb -0.13 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2wb1 s VAL 75 CO 0.03 0.59 0.03 -0.69 0.00 0.00 0.00 175.10 175.05 2wb1 s VAL 76 N -0.85 4.39 0.34 2.92 1.01 -1.26 -1.68 120.40 125.27 2wb1 s VAL 76 Ca 0.13 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.98 2wb1 s VAL 76 Cb -0.11 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2wb1 s VAL 76 CO 0.02 0.45 0.19 -0.55 0.00 0.00 0.00 175.10 175.21 2wb1 s SER 77 N 0.56 1.93 0.28 3.32 0.15 -0.87 -5.05 113.70 114.02 2wb1 s SER 77 Ca 0.01 -1.66 0.01 0.00 0.70 0.00 0.00 55.95 55.01 2wb1 s SER 77 Cb -0.13 0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 2wb1 s SER 77 CO 0.02 -0.96 0.28 -0.31 1.20 0.00 0.00 173.24 173.46 2wb1 s TYR 78 N -3.45 1.31 0.19 3.44 1.51 -1.26 -2.55 117.35 116.55 2wb1 s TYR 78 Ca 0.34 -1.42 -0.13 0.00 -1.01 0.00 0.00 57.07 54.84 2wb1 s TYR 78 Cb 0.03 -0.47 0.01 0.00 -0.11 0.00 0.00 41.96 41.42 2wb1 s TYR 78 CO 0.20 -0.85 0.42 1.03 -1.11 0.00 0.00 175.55 175.24 2wb1 s ARG 79 N -3.67 1.30 -0.11 -0.62 1.81 -0.91 -4.44 118.95 112.31 2wb1 s ARG 79 Ca 0.37 -1.03 0.11 0.00 -1.72 0.00 0.00 55.73 53.45 2wb1 s ARG 79 Cb 0.03 0.45 -0.15 0.00 -0.45 0.00 0.00 34.95 34.84 2wb1 s ARG 79 CO 0.19 -0.52 0.06 0.98 -0.68 0.00 0.00 175.30 175.33 2wb1 n TYR 80 N -0.29 0.00 -0.71 -0.53 4.19 -1.26 -1.28 117.16 117.28 2wb1 n TYR 80 Ca -0.08 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.13 2wb1 n TYR 80 Cb 0.63 -0.56 0.00 0.00 0.49 0.00 0.00 39.34 39.90 2wb1 n TYR 80 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 2wb1 n VAL 81 N -2.39 -3.73 0.29 2.97 0.31 -1.22 -4.21 118.33 110.35 2wb1 n VAL 81 Ca -0.18 0.78 0.03 0.00 -0.01 0.00 0.00 64.34 64.97 2wb1 n VAL 81 Cb 0.84 -2.33 0.03 0.00 -0.91 0.00 0.00 33.84 31.46 2wb1 n VAL 81 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13