#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wg5 h LYS 35 N 0.00 0.00 -0.34 2.12 1.57 -2.05 -1.19 116.57 116.68 2wg5 h LYS 35 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 2wg5 h LYS 35 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2wg5 h LYS 35 CO 0.00 0.00 0.29 1.96 -0.57 0.00 0.00 179.45 181.13 2wg5 h GLN 36 N 0.00 0.00 0.00 3.15 1.08 -2.05 -1.39 115.11 115.90 2wg5 h GLN 36 Ca 0.00 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 2wg5 h GLN 36 Cb 0.42 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.82 2wg5 h GLN 36 CO 0.00 0.00 -1.11 -0.07 -0.95 0.00 0.00 178.83 176.70 2wg5 h LEU 37 N 0.00 0.00 -0.59 1.46 3.38 -1.63 -1.55 115.31 116.38 2wg5 h LEU 37 Ca 0.16 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 2wg5 h LEU 37 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2wg5 h LEU 37 CO -0.00 0.77 -0.54 -0.33 0.09 0.00 0.00 178.44 178.43 2wg5 h GLU 38 N 0.00 0.47 -0.48 1.13 5.08 -1.40 -1.06 114.58 118.32 2wg5 h GLU 38 Ca -0.10 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 57.85 2wg5 h GLU 38 Cb 1.68 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 2wg5 h GLU 38 CO 0.08 0.89 -0.14 -0.44 -1.00 0.00 0.00 179.01 178.40 2wg5 h ASP 39 N 0.36 0.96 -0.54 1.42 5.19 -1.34 -2.86 116.42 119.60 2wg5 h ASP 39 Ca 0.01 -0.37 -0.09 0.00 -0.62 0.00 0.00 57.03 55.96 2wg5 h ASP 39 Cb 1.06 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.29 2wg5 h ASP 39 CO 0.10 1.11 -0.01 0.50 -3.12 0.00 0.00 179.24 177.82 2wg5 h LYS 40 N 0.79 0.96 -0.84 3.56 1.63 -1.15 -1.34 116.57 120.19 2wg5 h LYS 40 Ca 0.12 -0.31 0.01 0.00 -0.85 0.00 0.00 60.65 59.62 2wg5 h LYS 40 Cb 0.71 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.21 2wg5 h LYS 40 CO 0.05 0.97 0.55 0.28 -3.45 0.00 0.00 179.45 177.86 2wg5 h VAL 41 N 0.84 1.21 -0.52 2.00 2.07 -1.23 -2.19 116.25 118.44 2wg5 h VAL 41 Ca 0.15 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 2wg5 h VAL 41 Cb 0.54 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2wg5 h VAL 41 CO 0.03 0.21 -0.16 -0.08 0.02 0.00 0.00 177.57 177.58 2wg5 h GLU 42 N 1.13 1.02 -0.49 1.57 4.81 -1.24 -0.61 114.58 120.77 2wg5 h GLU 42 Ca 0.31 -0.41 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2wg5 h GLU 42 Cb -0.12 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 2wg5 h GLU 42 CO -0.07 1.09 0.30 1.49 -0.73 0.00 0.00 179.01 181.09 2wg5 h GLU 43 N 0.89 0.66 0.00 1.92 4.81 -1.15 -0.67 114.58 121.03 2wg5 h GLU 43 Ca 0.13 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 2wg5 h GLU 43 Cb 0.74 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2wg5 h GLU 43 CO 0.06 0.48 -0.83 -0.07 -0.73 0.00 0.00 179.01 177.92 2wg5 h LEU 44 N 0.65 0.11 -0.69 1.64 3.38 -1.27 -1.22 115.31 117.91 2wg5 h LEU 44 Ca 0.18 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2wg5 h LEU 44 Cb -0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2wg5 h LEU 44 CO -0.03 0.89 -0.15 -0.07 0.09 0.00 0.00 178.44 179.16 2wg5 h LEU 45 N 0.05 0.85 -0.07 1.67 3.38 -1.02 0.14 115.31 120.31 2wg5 h LEU 45 Ca -0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2wg5 h LEU 45 Cb 1.45 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2wg5 h LEU 45 CO 0.12 1.00 0.03 -1.28 0.09 0.00 0.00 178.44 178.40 2wg5 h SER 46 N 0.75 0.09 -0.49 -0.43 0.87 -0.86 -0.14 113.55 113.34 2wg5 h SER 46 Ca 0.12 -0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2wg5 h SER 46 Cb 0.67 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 2wg5 h SER 46 CO 0.05 0.22 0.31 0.50 -0.53 0.00 0.00 176.83 177.37 2wg5 h LYS 47 N -0.04 0.60 -0.53 2.24 1.63 -1.16 -1.54 116.57 117.76 2wg5 h LYS 47 Ca 0.02 -0.04 0.09 0.00 -0.85 0.00 0.00 60.65 59.87 2wg5 h LYS 47 Cb 0.15 -0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 31.58 2wg5 h LYS 47 CO -0.00 0.40 0.14 -0.97 -3.45 0.00 0.00 179.45 175.56 2wg5 h ASN 48 N 0.62 0.07 -0.54 4.20 -0.73 -0.58 -0.65 115.58 117.97 2wg5 h ASN 48 Ca 0.19 0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.41 2wg5 h ASN 48 Cb -0.02 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 2wg5 h ASN 48 CO -0.07 0.06 0.19 0.22 -0.37 0.00 0.00 177.43 177.47 2wg5 h TYR 49 N 0.29 0.84 -0.37 0.67 3.20 -0.43 0.82 116.97 121.99 2wg5 h TYR 49 Ca 0.27 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2wg5 h TYR 49 Cb 0.35 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2wg5 h TYR 49 CO -0.21 0.70 0.07 1.25 -1.64 0.00 0.00 178.16 178.34 2wg5 h HIS 50 N 0.74 0.64 -0.57 -3.82 2.76 -1.03 -2.03 115.15 111.84 2wg5 h HIS 50 Ca 0.18 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2wg5 h HIS 50 Cb 0.24 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 2wg5 h HIS 50 CO 0.01 0.65 0.29 -0.07 -1.30 0.00 0.00 177.93 177.51 2wg5 h LEU 51 N 0.45 0.73 -0.83 0.26 3.38 -0.77 -1.38 115.31 117.16 2wg5 h LEU 51 Ca 0.11 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2wg5 h LEU 51 Cb 0.34 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2wg5 h LEU 51 CO 0.01 0.64 0.53 -0.33 0.09 0.00 0.00 178.44 179.38 2wg5 h GLU 52 N 0.77 1.01 -0.41 1.13 5.08 -0.73 -0.88 114.58 120.55 2wg5 h GLU 52 Ca 0.20 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2wg5 h GLU 52 Cb 0.08 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2wg5 h GLU 52 CO -0.03 0.67 0.19 -0.91 -1.00 0.00 0.00 179.01 177.93 2wg5 h ASN 53 N 1.04 0.54 -0.36 1.42 2.35 -1.11 -0.35 115.58 119.10 2wg5 h ASN 53 Ca 0.33 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2wg5 h ASN 53 Cb 0.01 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2wg5 h ASN 53 CO -0.11 0.52 0.22 -0.08 -1.65 0.00 0.00 177.43 176.32 2wg5 h GLU 54 N 0.52 0.43 -0.30 0.81 4.81 -1.09 -0.20 114.58 119.56 2wg5 h GLU 54 Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2wg5 h GLU 54 Cb 0.12 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2wg5 h GLU 54 CO -0.02 0.29 0.15 0.28 -0.73 0.00 0.00 179.01 178.98 2wg5 h VAL 55 N 0.45 1.15 -0.64 0.32 2.07 -1.01 0.34 116.25 118.92 2wg5 h VAL 55 Ca 0.14 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.32 2wg5 h VAL 55 Cb -0.01 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 2wg5 h VAL 55 CO -0.06 0.15 0.34 0.00 0.02 0.00 0.00 177.57 178.02 2wg5 h ALA 56 N 1.02 0.85 -0.27 1.67 0.00 -0.84 -0.87 119.26 120.83 2wg5 h ALA 56 Ca 0.11 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2wg5 h ALA 56 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2wg5 h ALA 56 CO -0.01 -0.00 0.16 -0.09 0.00 0.00 0.00 179.25 179.31 2wg5 h ARG 57 N 0.63 0.33 0.00 0.00 2.43 -0.47 -1.43 114.38 115.85 2wg5 h ARG 57 Ca 0.29 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2wg5 h ARG 57 Cb 0.21 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2wg5 h ARG 57 CO -0.20 0.22 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.35 2wg5 h LEU 58 N 0.34 0.00 -1.65 3.80 3.38 -0.23 -2.02 115.31 118.93 2wg5 h LEU 58 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2wg5 h LEU 58 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2wg5 h LEU 58 CO -0.04 0.06 -0.07 0.54 0.09 0.00 0.00 178.44 179.02 2wg5 n ARG 59 N -4.44 2.06 -2.60 1.13 1.74 -0.40 -4.78 116.66 109.37 2wg5 n ARG 59 Ca -0.03 -1.65 -0.36 0.00 -0.77 0.00 0.00 57.85 55.04 2wg5 n ARG 59 Cb 0.14 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 2wg5 n ARG 59 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2wg5 s SER 60 N -2.07 6.86 0.86 0.55 0.15 -0.57 -5.01 113.70 114.46 2wg5 s SER 60 Ca 0.28 1.98 -0.13 0.00 0.70 0.00 0.00 55.95 58.78 2wg5 s SER 60 Cb 0.20 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.99 2wg5 s SER 60 CO 0.34 -0.42 0.86 -2.65 1.20 0.00 0.00 173.24 172.57 2wg5 n PRO 61 N -0.03 -0.06 -2.60 5.44 -0.02 -1.26 -4.45 135.00 132.02 2wg5 n PRO 61 Ca 0.05 0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 2wg5 n PRO 61 Cb 0.50 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 2wg5 n PRO 61 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2wg5 s PRO 62 N -3.86 4.68 0.10 0.52 0.04 -1.26 -5.14 135.00 130.07 2wg5 s PRO 62 Ca 0.66 1.63 0.10 0.00 0.04 0.00 0.00 61.00 63.44 2wg5 s PRO 62 Cb -0.27 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 2wg5 s PRO 62 CO 0.58 0.22 -0.26 -0.51 0.04 0.00 0.00 177.00 177.06 2wg5 s LEU 63 N -0.65 2.26 0.09 -3.56 1.43 -1.26 -4.51 118.68 112.49 2wg5 s LEU 63 Ca 0.46 -0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 2wg5 s LEU 63 Cb -0.28 -1.23 -0.07 0.00 0.03 0.00 0.00 46.19 44.64 2wg5 s LEU 63 CO 0.34 0.20 0.61 -0.22 0.23 0.00 0.00 176.35 177.52 2wg5 s LEU 64 N -1.74 4.54 0.05 1.79 2.96 -0.42 -4.80 118.68 121.05 2wg5 s LEU 64 Ca 0.13 1.34 -0.20 0.00 -0.22 0.00 0.00 54.13 55.19 2wg5 s LEU 64 Cb -0.10 -2.99 -0.06 0.00 0.50 0.00 0.00 46.19 43.54 2wg5 s LEU 64 CO 0.04 0.26 0.57 -0.69 -1.32 0.00 0.00 176.35 175.22 2wg5 s VAL 65 N -1.13 4.79 0.03 1.68 1.01 -1.26 -0.09 120.40 125.43 2wg5 s VAL 65 Ca 0.31 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.51 2wg5 s VAL 65 Cb -0.20 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 2wg5 s VAL 65 CO 0.21 0.52 0.03 0.61 0.00 0.00 0.00 175.10 176.46 2wg5 n GLY 66 N 1.92 3.80 3.08 4.51 0.00 -0.25 -1.19 105.19 117.07 2wg5 n GLY 66 Ca -0.09 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 2wg5 n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wg5 s VAL 67 N -2.17 1.12 0.23 1.61 1.01 0.11 -0.65 120.40 121.66 2wg5 s VAL 67 Ca 0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2wg5 s VAL 67 Cb 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.32 2wg5 s VAL 67 CO 0.03 0.33 1.33 -0.69 0.00 0.00 0.00 175.10 176.09 2wg5 s VAL 68 N -0.02 3.05 -0.19 2.92 1.01 0.08 -0.83 120.40 126.43 2wg5 s VAL 68 Ca -0.01 0.89 -0.09 0.00 0.00 0.00 0.00 61.98 62.78 2wg5 s VAL 68 Cb -0.09 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 2wg5 s VAL 68 CO 0.01 0.15 -0.24 -0.24 0.00 0.00 0.00 175.10 174.78 2wg5 n SER 69 N 2.32 1.41 -3.81 3.32 2.88 0.05 -0.99 113.62 118.80 2wg5 n SER 69 Ca 0.05 0.21 -0.06 0.00 -1.33 0.00 0.00 58.87 57.74 2wg5 n SER 69 Cb 0.42 -0.54 -0.02 0.00 -0.75 0.00 0.00 64.21 63.32 2wg5 n SER 69 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2wg5 s ASP 70 N -6.64 -0.25 -0.09 -3.46 -4.77 -1.08 -4.60 116.67 95.78 2wg5 s ASP 70 Ca -0.26 -0.52 0.04 0.00 -3.30 0.00 0.00 52.55 48.50 2wg5 s ASP 70 Cb 0.10 0.66 0.00 0.00 -1.09 0.00 0.00 42.92 42.59 2wg5 s ASP 70 CO 0.34 -1.21 -0.22 -0.63 0.70 0.00 0.00 175.17 174.15 2wg5 s ILE 71 N -3.74 1.88 0.53 2.11 -1.09 -1.26 -0.45 121.20 119.19 2wg5 s ILE 71 Ca 0.11 -0.92 -0.04 0.00 -2.23 0.00 0.00 60.65 57.57 2wg5 s ILE 71 Cb -0.05 -1.63 -0.00 0.00 -1.58 0.00 0.00 42.46 39.20 2wg5 s ILE 71 CO 0.05 0.52 0.82 -0.76 -1.23 0.00 0.00 174.94 174.34 2wg5 s LEU 72 N 0.34 3.41 0.20 2.97 1.43 -0.23 -5.00 118.68 121.80 2wg5 s LEU 72 Ca -0.17 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 2wg5 s LEU 72 Cb -0.17 -3.47 0.15 0.00 0.03 0.00 0.00 46.19 42.73 2wg5 s LEU 72 CO 0.07 -0.89 1.87 1.05 0.23 0.00 0.00 176.35 178.68 2wg5 h GLU 73 N 0.05 0.93 0.00 1.70 4.11 -2.00 -2.07 114.58 117.29 2wg5 h GLU 73 Ca -0.46 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2wg5 h GLU 73 Cb 1.25 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2wg5 h GLU 73 CO 0.60 0.62 0.00 -0.40 0.07 0.00 0.00 179.01 179.89 2wg5 n ASP 74 N -4.60 0.00 0.00 3.06 5.75 -1.26 -4.87 116.55 114.63 2wg5 n ASP 74 Ca 0.07 -0.41 0.00 0.00 -0.01 0.00 0.00 54.79 54.44 2wg5 n ASP 74 Cb 0.03 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 2wg5 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wg5 n GLY 75 N 0.31 2.05 3.78 6.12 0.00 -0.78 -5.08 105.19 111.59 2wg5 n GLY 75 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2wg5 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wg5 s ARG 76 N -0.82 2.67 0.04 1.61 0.52 -1.26 -4.78 118.95 116.92 2wg5 s ARG 76 Ca 0.00 1.19 0.09 0.00 -0.52 0.00 0.00 55.73 56.49 2wg5 s ARG 76 Cb 0.00 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 2wg5 s ARG 76 CO 0.00 -1.33 -0.25 0.08 0.02 0.00 0.00 175.30 173.82 2wg5 s VAL 77 N -2.72 2.03 -0.22 3.52 1.01 -0.29 -1.07 120.40 122.65 2wg5 s VAL 77 Ca 0.62 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 2wg5 s VAL 77 Cb -0.17 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2wg5 s VAL 77 CO 0.49 0.34 0.20 -0.69 0.00 0.00 0.00 175.10 175.44 2wg5 s VAL 78 N -0.79 5.34 0.05 2.92 1.01 0.41 -0.12 120.40 129.22 2wg5 s VAL 78 Ca 0.11 0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.43 2wg5 s VAL 78 Cb -0.10 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2wg5 s VAL 78 CO 0.02 0.35 -0.18 0.68 0.00 0.00 0.00 175.10 175.97 2wg5 s VAL 79 N 0.94 1.45 -0.29 2.92 -7.23 0.10 -0.77 120.40 117.51 2wg5 s VAL 79 Ca 0.10 -1.19 -0.14 0.00 -1.81 0.00 0.00 61.98 58.94 2wg5 s VAL 79 Cb -0.13 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 2wg5 s VAL 79 CO 0.04 0.06 0.32 -0.75 -0.31 0.00 0.00 175.10 174.46 2wg5 s LYS 80 N -1.32 3.90 0.45 4.82 2.20 -0.01 -1.02 119.74 128.75 2wg5 s LYS 80 Ca 0.05 -0.17 -0.19 0.00 -0.36 0.00 0.00 55.97 55.30 2wg5 s LYS 80 Cb -0.09 -3.69 -0.10 0.00 -1.51 0.00 0.00 37.83 32.45 2wg5 s LYS 80 CO 0.02 -0.30 0.95 -1.54 -0.36 0.00 0.00 175.35 174.11 2wg5 s SER 81 N 1.69 6.82 0.18 1.43 1.04 -0.36 -0.71 113.70 123.79 2wg5 s SER 81 Ca 0.12 1.61 0.21 0.00 0.48 0.00 0.00 55.95 58.37 2wg5 s SER 81 Cb -0.16 -2.51 0.87 0.00 0.10 0.00 0.00 66.02 64.32 2wg5 s SER 81 CO 0.11 -0.43 1.64 -1.54 0.98 0.00 0.00 173.24 173.99 2wg5 n SER 82 N -0.95 0.47 0.07 7.02 3.41 -0.33 -1.05 113.62 122.25 2wg5 n SER 82 Ca 0.07 0.62 -0.01 0.00 -0.26 0.00 0.00 58.87 59.29 2wg5 n SER 82 Cb 0.54 -0.72 0.28 0.00 -0.26 0.00 0.00 64.21 64.05 2wg5 n SER 82 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2wg5 h THR 83 N 0.00 1.24 0.00 6.66 1.35 -1.92 -3.48 112.91 116.75 2wg5 h THR 83 Ca 0.00 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2wg5 h THR 83 Cb 0.32 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 2wg5 h THR 83 CO 0.00 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 2wg5 n GLY 84 N -0.56 3.89 3.66 5.82 0.00 -0.22 -5.13 105.19 112.65 2wg5 n GLY 84 Ca -0.01 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 2wg5 n GLY 84 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wg5 s PRO 85 N 0.00 -0.03 0.02 1.61 0.02 -1.26 -4.55 135.00 130.81 2wg5 s PRO 85 Ca 0.00 0.33 0.02 0.00 0.02 0.00 0.00 61.00 61.38 2wg5 s PRO 85 Cb 0.00 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.78 2wg5 s PRO 85 CO 0.00 -3.00 -0.02 0.15 -0.33 0.00 0.00 177.00 173.80 2wg5 s LYS 86 N -5.09 2.68 0.05 5.54 1.02 -1.26 -1.22 119.74 121.45 2wg5 s LYS 86 Ca 0.67 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.99 2wg5 s LYS 86 Cb -0.16 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 2wg5 s LYS 86 CO 0.57 0.60 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.49 2wg5 s PHE 87 N -1.10 0.58 -0.28 3.18 0.40 -0.19 -4.96 117.98 115.60 2wg5 s PHE 87 Ca 0.20 -0.63 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 2wg5 s PHE 87 Cb -0.11 -0.36 -0.04 0.00 0.51 0.00 0.00 43.02 43.01 2wg5 s PHE 87 CO 0.11 -0.15 0.25 0.08 0.70 0.00 0.00 175.22 176.20 2wg5 s VAL 88 N -2.02 5.27 0.25 -0.44 1.01 -1.26 0.01 120.40 123.22 2wg5 s VAL 88 Ca -0.06 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.25 2wg5 s VAL 88 Cb -0.06 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2wg5 s VAL 88 CO -0.02 0.20 -0.12 0.68 0.00 0.00 0.00 175.10 175.84 2wg5 s VAL 89 N 1.85 1.87 0.79 2.92 -7.23 0.82 -4.93 120.40 116.49 2wg5 s VAL 89 Ca 0.09 -2.22 -0.05 0.00 -1.81 0.00 0.00 61.98 57.99 2wg5 s VAL 89 Cb -0.16 -2.26 0.14 0.00 0.56 0.00 0.00 36.38 34.66 2wg5 s VAL 89 CO 0.11 -0.44 1.09 0.21 -0.31 0.00 0.00 175.10 175.75 2wg5 s ASN 90 N -3.41 4.02 0.02 4.85 3.84 -1.26 -1.14 114.94 121.86 2wg5 s ASN 90 Ca 0.27 -0.15 -0.01 0.00 0.21 0.00 0.00 52.86 53.17 2wg5 s ASN 90 Cb 0.00 -0.15 -0.02 0.00 -0.55 0.00 0.00 41.25 40.54 2wg5 s ASN 90 CO 0.11 -2.10 -0.00 0.42 -2.79 0.00 0.00 177.10 172.74 2wg5 s THR 91 N -3.36 0.12 0.48 -5.21 -4.23 -1.26 -1.60 115.64 100.57 2wg5 s THR 91 Ca 0.68 -0.98 -0.23 0.00 -1.18 0.00 0.00 61.69 59.98 2wg5 s THR 91 Cb -0.05 -0.44 -0.07 0.00 1.34 0.00 0.00 72.50 73.28 2wg5 s THR 91 CO 0.47 -0.54 1.30 -0.55 -0.54 0.00 0.00 174.62 174.76 2wg5 s SER 92 N -1.63 5.83 0.23 3.99 0.15 0.13 -4.88 113.70 117.52 2wg5 s SER 92 Ca -0.13 2.64 0.24 0.00 0.70 0.00 0.00 55.95 59.40 2wg5 s SER 92 Cb -0.07 -2.63 0.93 0.00 -1.71 0.00 0.00 66.02 62.53 2wg5 s SER 92 CO -0.02 -1.18 1.73 0.00 1.20 0.00 0.00 173.24 174.97 2wg5 n GLN 93 N -0.50 0.20 -0.53 5.44 10.64 -1.26 -3.22 117.38 128.15 2wg5 n GLN 93 Ca 0.07 0.35 0.06 0.00 -1.83 0.00 0.00 57.00 55.65 2wg5 n GLN 93 Cb 0.45 -1.83 0.27 0.00 -0.86 0.00 0.00 30.24 28.27 2wg5 n GLN 93 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2wg5 n TYR 94 N -2.20 1.24 -3.70 2.61 4.01 -1.26 -4.90 117.16 112.96 2wg5 n TYR 94 Ca 0.03 -0.46 -0.37 0.00 -0.16 0.00 0.00 57.90 56.94 2wg5 n TYR 94 Cb 0.29 -0.28 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 2wg5 n TYR 94 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2wg5 s ILE 95 N -1.96 5.27 -0.26 -0.72 1.01 -1.20 -5.02 121.20 118.32 2wg5 s ILE 95 Ca 0.37 0.49 -0.29 0.00 0.00 0.00 0.00 60.65 61.23 2wg5 s ILE 95 Cb 0.26 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 2wg5 s ILE 95 CO 0.15 0.58 1.59 0.21 0.00 0.00 0.00 174.94 177.47 2wg5 s ASN 96 N -1.11 6.33 0.42 3.58 2.47 -1.26 -4.88 114.94 120.48 2wg5 s ASN 96 Ca 0.20 1.45 0.12 0.00 0.42 0.00 0.00 52.86 55.05 2wg5 s ASN 96 Cb -0.14 -2.53 0.91 0.00 -1.45 0.00 0.00 41.25 38.03 2wg5 s ASN 96 CO 0.09 -1.33 1.96 1.05 -3.72 0.00 0.00 177.10 175.16 2wg5 h GLU 97 N 10.91 0.10 -0.50 0.43 4.11 -1.95 -0.99 114.58 126.69 2wg5 h GLU 97 Ca -0.32 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.13 2wg5 h GLU 97 Cb 1.14 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 2wg5 h GLU 97 CO 1.02 0.26 0.33 1.05 0.07 0.00 0.00 179.01 181.75 2wg5 h GLU 98 N 0.09 0.52 0.00 1.06 9.09 -2.05 -2.77 114.58 120.52 2wg5 h GLU 98 Ca 0.02 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.40 2wg5 h GLU 98 Cb 0.34 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 2wg5 h GLU 98 CO 0.02 0.35 -0.10 0.39 0.05 0.00 0.00 179.01 179.72 2wg5 n GLU 99 N -4.47 0.18 -2.75 1.06 1.02 -0.38 -4.61 120.64 110.68 2wg5 n GLU 99 Ca 0.06 0.13 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 2wg5 n GLU 99 Cb 0.17 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 29.87 2wg5 n GLU 99 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wg5 s LEU 100 N -3.97 4.02 -0.02 -4.62 1.43 -1.05 -4.81 118.68 109.67 2wg5 s LEU 100 Ca 0.11 -0.97 -0.23 0.00 -1.03 0.00 0.00 54.13 52.02 2wg5 s LEU 100 Cb 0.15 -2.47 0.05 0.00 0.03 0.00 0.00 46.19 43.94 2wg5 s LEU 100 CO 0.60 -1.53 0.49 -1.59 0.23 0.00 0.00 176.35 174.55 2wg5 s LYS 101 N 4.50 0.89 0.09 1.70 -2.85 -1.26 -5.00 119.74 117.80 2wg5 s LYS 101 Ca 0.29 -0.02 -0.26 0.00 -1.00 0.00 0.00 55.97 54.98 2wg5 s LYS 101 Cb -0.12 0.41 -0.14 0.00 -2.06 0.00 0.00 37.83 35.92 2wg5 s LYS 101 CO 0.08 -0.27 0.58 -2.30 0.10 0.00 0.00 175.35 173.54 2wg5 n PRO 102 N 0.97 0.00 0.00 1.78 -0.02 -1.26 -0.51 135.00 135.96 2wg5 n PRO 102 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2wg5 n PRO 102 Cb 0.57 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 2wg5 n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wg5 n GLY 103 N 1.40 2.82 3.77 -1.23 0.00 -0.16 -4.97 105.19 106.82 2wg5 n GLY 103 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2wg5 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wg5 s ALA 104 N -1.96 3.57 0.02 4.61 0.00 0.33 -4.65 121.76 123.68 2wg5 s ALA 104 Ca 0.00 1.49 -0.27 0.00 0.00 0.00 0.00 51.96 53.18 2wg5 s ALA 104 Cb 0.00 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 2wg5 s ALA 104 CO 0.00 -0.94 0.84 0.50 0.00 0.00 0.00 175.76 176.16 2wg5 s ARG 105 N -1.83 4.54 0.14 0.00 3.52 -1.26 -0.74 118.95 123.32 2wg5 s ARG 105 Ca 0.53 1.18 0.08 0.00 -0.13 0.00 0.00 55.73 57.39 2wg5 s ARG 105 Cb -0.45 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 2wg5 s ARG 105 CO 0.59 0.14 -0.19 0.14 -0.81 0.00 0.00 175.30 175.17 2wg5 s VAL 106 N 0.40 1.73 -0.21 7.11 -7.23 0.18 -0.08 120.40 122.29 2wg5 s VAL 106 Ca 0.43 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.73 2wg5 s VAL 106 Cb -0.21 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 2wg5 s VAL 106 CO 0.24 -0.25 0.11 0.00 -0.31 0.00 0.00 175.10 174.90 2wg5 s ALA 107 N -1.78 3.54 -0.05 1.32 0.00 0.12 -1.09 121.76 123.82 2wg5 s ALA 107 Ca 0.12 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2wg5 s ALA 107 Cb -0.07 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 2wg5 s ALA 107 CO 0.05 0.02 -0.16 -0.51 0.00 0.00 0.00 175.76 175.16 2wg5 s LEU 108 N 0.66 2.60 0.17 0.00 1.43 0.87 -0.68 118.68 123.73 2wg5 s LEU 108 Ca 0.06 -0.26 -0.32 0.00 -1.03 0.00 0.00 54.13 52.58 2wg5 s LEU 108 Cb -0.12 -1.52 -0.11 0.00 0.03 0.00 0.00 46.19 44.47 2wg5 s LEU 108 CO 0.01 0.32 1.68 0.21 0.23 0.00 0.00 176.35 178.80 2wg5 s ASN 109 N -0.59 6.47 0.42 2.29 3.84 -0.20 -1.30 114.94 125.87 2wg5 s ASN 109 Ca 0.09 2.74 0.10 0.00 0.21 0.00 0.00 52.86 56.00 2wg5 s ASN 109 Cb -0.11 -2.59 0.91 0.00 -0.55 0.00 0.00 41.25 38.91 2wg5 s ASN 109 CO 0.01 -0.92 2.02 1.56 -2.79 0.00 0.00 177.10 176.98 2wg5 h GLN 110 N 7.11 0.31 0.17 0.43 4.20 -1.92 0.27 115.11 125.69 2wg5 h GLN 110 Ca -0.43 -0.04 -0.28 0.00 0.06 0.00 0.00 58.65 57.96 2wg5 h GLN 110 Cb 1.20 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.94 2wg5 h GLN 110 CO 0.94 0.29 -1.34 1.96 -0.67 0.00 0.00 178.83 180.02 2wg5 h GLN 111 N 0.31 0.36 -0.00 1.46 7.50 -1.96 -3.39 115.11 119.39 2wg5 h GLN 111 Ca 0.08 -0.62 0.00 0.00 0.50 0.00 0.00 58.65 58.61 2wg5 h GLN 111 Cb 0.12 0.23 0.00 0.00 0.05 0.00 0.00 27.48 27.89 2wg5 h GLN 111 CO -0.00 1.30 -0.31 0.25 -1.50 0.00 0.00 178.83 178.56 2wg5 n THR 112 N -3.86 0.00 -1.46 -0.54 -2.24 -1.20 -4.99 114.28 99.99 2wg5 n THR 112 Ca -0.20 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 2wg5 n THR 112 Cb 0.96 1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 70.22 2wg5 n THR 112 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wg5 n LEU 113 N -0.63 -0.94 -4.69 3.22 4.77 0.94 -4.83 117.00 114.84 2wg5 n LEU 113 Ca 0.03 0.30 -0.43 0.00 -0.03 0.00 0.00 56.01 55.89 2wg5 n LEU 113 Cb 0.19 -1.94 -0.01 0.00 -2.33 0.00 0.00 43.42 39.33 2wg5 n LEU 113 CO 0.16 -0.61 0.92 0.00 -1.33 0.00 0.00 177.39 176.52 2wg5 n ALA 114 N 0.20 1.29 -2.48 -1.18 0.00 -1.26 -4.53 120.51 112.55 2wg5 n ALA 114 Ca -0.13 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 2wg5 n ALA 114 Cb 0.43 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 2wg5 n ALA 114 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wg5 s ILE 115 N -0.93 4.27 -0.22 0.00 1.01 -0.63 -1.03 121.20 123.67 2wg5 s ILE 115 Ca 0.57 1.46 -0.02 0.00 0.00 0.00 0.00 60.65 62.66 2wg5 s ILE 115 Cb -0.58 -4.19 -0.20 0.00 0.01 0.00 0.00 42.46 37.50 2wg5 s ILE 115 CO 0.60 -0.40 -0.04 0.52 0.00 0.00 0.00 174.94 175.62 2wg5 n VAL 116 N 5.95 1.59 -3.81 2.92 0.31 0.14 0.19 118.33 125.62 2wg5 n VAL 116 Ca 0.14 -0.57 -0.12 0.00 -0.01 0.00 0.00 64.34 63.78 2wg5 n VAL 116 Cb 0.46 -1.57 -0.10 0.00 -0.91 0.00 0.00 33.84 31.73 2wg5 n VAL 116 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2wg5 s ASN 117 N -6.76 -0.12 0.19 4.52 0.01 -1.15 -4.79 114.94 106.84 2wg5 s ASN 117 Ca -0.31 0.05 -0.28 0.00 -0.71 0.00 0.00 52.86 51.61 2wg5 s ASN 117 Cb 0.09 0.31 -0.08 0.00 0.41 0.00 0.00 41.25 41.98 2wg5 s ASN 117 CO 0.65 -0.35 0.86 -0.69 -1.51 0.00 0.00 177.10 176.06 2wg5 s VAL 118 N -1.07 4.27 0.16 1.60 1.01 -1.26 -0.70 120.40 124.41 2wg5 s VAL 118 Ca -0.11 1.90 0.03 0.00 0.00 0.00 0.00 61.98 63.80 2wg5 s VAL 118 Cb -0.05 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2wg5 s VAL 118 CO 0.02 0.49 0.26 -0.76 0.00 0.00 0.00 175.10 175.11 2wg5 s LEU 119 N -1.01 4.21 0.00 3.92 1.02 0.88 -4.88 118.68 122.82 2wg5 s LEU 119 Ca 0.39 0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.63 2wg5 s LEU 119 Cb -0.24 -2.79 0.00 0.00 0.02 0.00 0.00 46.19 43.18 2wg5 s LEU 119 CO 0.29 0.04 0.48 -0.81 0.02 0.00 0.00 176.35 176.37