#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 -1.09 116.57 116.77 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 0.30 1.96 -0.57 0.00 0.00 179.45 181.14 2wg5 h GLN 36 N 0.00 0.00 0.00 3.15 1.08 -2.05 -1.27 115.11 116.02 2wg5 h GLN 36 Ca 0.00 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 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 -1.09 -0.07 -0.95 0.00 0.00 178.83 176.72 2wg5 h LEU 37 N 0.00 0.00 -0.55 1.46 3.38 -1.62 -1.60 115.31 116.38 2wg5 h LEU 37 Ca 0.16 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 2wg5 h LEU 37 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2wg5 h LEU 37 CO -0.00 0.69 -0.55 -0.33 0.09 0.00 0.00 178.44 178.33 2wg5 h GLU 38 N 0.00 0.49 -0.46 1.13 5.08 -1.38 -1.24 114.58 118.19 2wg5 h GLU 38 Ca -0.10 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 57.85 2wg5 h GLU 38 Cb 1.61 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 2wg5 h GLU 38 CO 0.07 0.91 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.45 2wg5 h ASP 39 N 0.38 0.90 -0.57 1.42 5.19 -1.32 -2.83 116.42 119.58 2wg5 h ASP 39 Ca 0.01 -0.36 -0.09 0.00 -0.62 0.00 0.00 57.03 55.96 2wg5 h ASP 39 Cb 1.09 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.33 2wg5 h ASP 39 CO 0.10 1.05 -0.01 0.50 -3.12 0.00 0.00 179.24 177.76 2wg5 h LYS 40 N 0.74 1.02 -0.74 3.56 1.63 -1.19 -1.20 116.57 120.39 2wg5 h LYS 40 Ca 0.12 -0.33 0.01 0.00 -0.85 0.00 0.00 60.65 59.60 2wg5 h LYS 40 Cb 0.66 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 2wg5 h LYS 40 CO 0.05 1.02 0.48 0.28 -3.45 0.00 0.00 179.45 177.83 2wg5 h VAL 41 N 0.91 1.16 -0.51 2.00 2.07 -1.25 -2.18 116.25 118.46 2wg5 h VAL 41 Ca 0.16 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 2wg5 h VAL 41 Cb 0.56 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2wg5 h VAL 41 CO 0.03 0.18 -0.14 -0.08 0.02 0.00 0.00 177.57 177.58 2wg5 h GLU 42 N 0.97 0.99 -0.44 1.57 4.81 -1.21 -0.50 114.58 120.77 2wg5 h GLU 42 Ca 0.28 -0.39 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2wg5 h GLU 42 Cb -0.07 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 2wg5 h GLU 42 CO -0.07 1.06 0.26 1.49 -0.73 0.00 0.00 179.01 181.02 2wg5 h GLU 43 N 0.85 0.52 -0.03 1.92 4.81 -1.16 -0.98 114.58 120.52 2wg5 h GLU 43 Ca 0.13 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 2wg5 h GLU 43 Cb 0.71 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2wg5 h GLU 43 CO 0.05 0.34 -0.74 -0.07 -0.73 0.00 0.00 179.01 177.86 2wg5 h LEU 44 N 0.53 0.22 -0.68 1.64 3.38 -1.20 -1.15 115.31 118.05 2wg5 h LEU 44 Ca 0.17 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2wg5 h LEU 44 Cb 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2wg5 h LEU 44 CO -0.08 0.88 -0.17 -0.07 0.09 0.00 0.00 178.44 179.10 2wg5 h LEU 45 N 0.12 0.85 -0.14 1.67 3.38 -0.99 0.14 115.31 120.33 2wg5 h LEU 45 Ca -0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2wg5 h LEU 45 Cb 1.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2wg5 h LEU 45 CO 0.11 1.01 0.07 -1.28 0.09 0.00 0.00 178.44 178.44 2wg5 h SER 46 N 0.74 0.19 -0.53 -0.43 0.87 -0.87 0.25 113.55 113.77 2wg5 h SER 46 Ca 0.11 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2wg5 h SER 46 Cb 0.69 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 2wg5 h SER 46 CO 0.05 0.26 0.32 0.50 -0.53 0.00 0.00 176.83 177.43 2wg5 h LYS 47 N 0.11 0.73 -0.59 2.24 1.63 -1.12 -1.84 116.57 117.73 2wg5 h LYS 47 Ca 0.05 -0.07 0.09 0.00 -0.85 0.00 0.00 60.65 59.87 2wg5 h LYS 47 Cb 0.12 -0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 31.53 2wg5 h LYS 47 CO -0.01 0.53 0.19 -0.97 -3.45 0.00 0.00 179.45 175.75 2wg5 h ASN 48 N 0.72 0.16 -0.46 4.20 -0.73 -0.53 -0.87 115.58 118.06 2wg5 h ASN 48 Ca 0.19 0.08 -0.04 0.00 1.87 0.00 0.00 56.30 58.41 2wg5 h ASN 48 Cb -0.00 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 2wg5 h ASN 48 CO -0.03 0.10 0.13 0.22 -0.37 0.00 0.00 177.43 177.48 2wg5 h TYR 49 N 0.36 0.75 -0.49 0.67 3.20 -0.45 0.14 116.97 121.15 2wg5 h TYR 49 Ca 0.30 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 2wg5 h TYR 49 Cb 0.38 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2wg5 h TYR 49 CO -0.19 0.67 0.03 1.25 -1.64 0.00 0.00 178.16 178.29 2wg5 h HIS 50 N 0.61 0.91 -0.53 -3.82 2.76 -1.13 -1.82 115.15 112.13 2wg5 h HIS 50 Ca 0.15 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 2wg5 h HIS 50 Cb 0.28 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 2wg5 h HIS 50 CO 0.02 0.85 0.21 -0.07 -1.30 0.00 0.00 177.93 177.63 2wg5 h LEU 51 N 0.70 0.73 -0.82 0.26 3.38 -0.83 -1.44 115.31 117.31 2wg5 h LEU 51 Ca 0.14 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2wg5 h LEU 51 Cb 0.46 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2wg5 h LEU 51 CO 0.02 0.71 0.54 -0.33 0.09 0.00 0.00 178.44 179.46 2wg5 h GLU 52 N 0.72 1.06 -0.32 1.13 5.08 -0.88 -0.62 114.58 120.75 2wg5 h GLU 52 Ca 0.18 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2wg5 h GLU 52 Cb 0.21 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2wg5 h GLU 52 CO -0.01 0.70 0.14 -0.91 -1.00 0.00 0.00 179.01 177.92 2wg5 h ASN 53 N 1.09 0.43 -0.39 1.42 2.35 -1.11 -0.44 115.58 118.93 2wg5 h ASN 53 Ca 0.30 -0.15 0.04 0.00 -0.55 0.00 0.00 56.30 55.94 2wg5 h ASN 53 Cb -0.11 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.11 2wg5 h ASN 53 CO -0.07 0.46 0.16 -0.08 -1.65 0.00 0.00 177.43 176.24 2wg5 h GLU 54 N 0.37 0.32 -0.31 0.81 4.81 -1.11 -0.47 114.58 119.00 2wg5 h GLU 54 Ca 0.11 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2wg5 h GLU 54 Cb 0.16 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2wg5 h GLU 54 CO -0.01 0.21 0.17 0.28 -0.73 0.00 0.00 179.01 178.93 2wg5 h VAL 55 N 0.33 1.13 -0.70 0.32 2.07 -0.99 0.77 116.25 119.18 2wg5 h VAL 55 Ca 0.18 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.43 2wg5 h VAL 55 Cb 0.14 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 2wg5 h VAL 55 CO -0.16 0.14 0.35 0.00 0.02 0.00 0.00 177.57 177.91 2wg5 h ALA 56 N 1.04 0.95 -0.27 1.67 0.00 -0.83 -0.81 119.26 121.00 2wg5 h ALA 56 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2wg5 h ALA 56 Cb 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2wg5 h ALA 56 CO -0.02 -0.04 0.15 -0.09 0.00 0.00 0.00 179.25 179.25 2wg5 h ARG 57 N 0.60 0.38 -0.10 0.00 2.43 -0.45 -1.27 114.38 115.97 2wg5 h ARG 57 Ca 0.34 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2wg5 h ARG 57 Cb 0.34 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2wg5 h ARG 57 CO -0.26 0.34 0.04 -0.07 -1.51 0.00 0.00 179.97 178.51 2wg5 h LEU 58 N 0.33 0.11 -1.37 3.80 3.38 -0.21 -2.12 115.31 119.22 2wg5 h LEU 58 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wg5 h LEU 58 Cb 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2wg5 h LEU 58 CO -0.02 0.11 -0.11 0.54 0.09 0.00 0.00 178.44 179.06 2wg5 n ARG 59 N -4.49 1.82 -2.53 1.13 1.74 -0.37 -4.78 116.66 109.16 2wg5 n ARG 59 Ca -0.02 -1.37 -0.37 0.00 -0.77 0.00 0.00 57.85 55.32 2wg5 n ARG 59 Cb 0.11 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.03 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 -2.13 6.81 0.86 0.55 0.15 -0.51 -5.01 113.70 114.43 2wg5 s SER 60 Ca 0.29 2.06 -0.13 0.00 0.70 0.00 0.00 55.95 58.87 2wg5 s SER 60 Cb 0.20 -2.59 0.05 0.00 -1.71 0.00 0.00 66.02 61.97 2wg5 s SER 60 CO 0.38 -0.45 0.77 -2.65 1.20 0.00 0.00 173.24 172.48 2wg5 n PRO 61 N 0.07 -0.07 -2.53 5.44 -0.02 -1.26 -4.44 135.00 132.20 2wg5 n PRO 61 Ca 0.04 0.04 -0.41 0.00 -2.02 0.00 0.00 63.50 61.16 2wg5 n PRO 61 Cb 0.49 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 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 -3.74 4.63 0.10 0.52 0.04 -1.26 -5.14 135.00 130.15 2wg5 s PRO 62 Ca 0.65 1.72 0.10 0.00 0.04 0.00 0.00 61.00 63.51 2wg5 s PRO 62 Cb -0.26 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 2wg5 s PRO 62 CO 0.59 0.15 -0.26 -0.51 0.04 0.00 0.00 177.00 177.01 2wg5 s LEU 63 N -0.71 2.30 0.08 -3.56 1.43 -1.26 -4.50 118.68 112.45 2wg5 s LEU 63 Ca 0.47 -0.68 -0.21 0.00 -1.03 0.00 0.00 54.13 52.68 2wg5 s LEU 63 Cb -0.30 -1.26 -0.07 0.00 0.03 0.00 0.00 46.19 44.59 2wg5 s LEU 63 CO 0.36 0.21 0.63 -0.22 0.23 0.00 0.00 176.35 177.56 2wg5 s LEU 64 N -1.79 4.52 0.04 1.79 2.96 -0.14 -4.81 118.68 121.25 2wg5 s LEU 64 Ca 0.13 1.34 -0.22 0.00 -0.22 0.00 0.00 54.13 55.17 2wg5 s LEU 64 Cb -0.10 -3.01 -0.06 0.00 0.50 0.00 0.00 46.19 43.53 2wg5 s LEU 64 CO 0.05 0.22 0.64 -0.69 -1.32 0.00 0.00 176.35 175.24 2wg5 s VAL 65 N -0.89 4.79 0.05 1.68 1.01 -1.26 0.04 120.40 125.82 2wg5 s VAL 65 Ca 0.31 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.66 2wg5 s VAL 65 Cb -0.20 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 2wg5 s VAL 65 CO 0.20 0.44 0.05 0.61 0.00 0.00 0.00 175.10 176.41 2wg5 n GLY 66 N 2.21 3.80 3.09 4.51 0.00 -0.21 -1.45 105.19 117.14 2wg5 n GLY 66 Ca -0.07 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.23 1.17 0.21 1.61 1.01 0.10 -0.46 120.40 121.81 2wg5 s VAL 67 Ca 0.06 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 2wg5 s VAL 67 Cb 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 36.38 35.28 2wg5 s VAL 67 CO 0.05 0.34 1.37 -0.69 0.00 0.00 0.00 175.10 176.17 2wg5 s VAL 68 N 0.05 2.97 -0.19 2.92 1.01 0.12 -1.03 120.40 126.25 2wg5 s VAL 68 Ca -0.02 0.80 -0.08 0.00 0.00 0.00 0.00 61.98 62.68 2wg5 s VAL 68 Cb -0.10 -3.51 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 2wg5 s VAL 68 CO 0.01 0.12 -0.23 -0.24 0.00 0.00 0.00 175.10 174.76 2wg5 n SER 69 N 2.60 1.59 -3.69 3.32 2.88 0.22 -0.98 113.62 119.56 2wg5 n SER 69 Ca 0.07 0.17 -0.07 0.00 -1.33 0.00 0.00 58.87 57.72 2wg5 n SER 69 Cb 0.42 -0.52 -0.02 0.00 -0.75 0.00 0.00 64.21 63.34 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 -6.56 -0.30 -0.11 -3.46 -4.77 -1.08 -4.62 116.67 95.77 2wg5 s ASP 70 Ca -0.26 -0.32 0.02 0.00 -3.30 0.00 0.00 52.55 48.68 2wg5 s ASP 70 Cb 0.10 0.56 -0.01 0.00 -1.09 0.00 0.00 42.92 42.48 2wg5 s ASP 70 CO 0.35 -0.99 -0.19 -0.63 0.70 0.00 0.00 175.17 174.41 2wg5 s ILE 71 N -3.51 2.49 0.57 2.11 -1.09 -1.26 -0.27 121.20 120.24 2wg5 s ILE 71 Ca 0.09 -0.87 -0.06 0.00 -2.23 0.00 0.00 60.65 57.58 2wg5 s ILE 71 Cb -0.03 -2.00 0.00 0.00 -1.58 0.00 0.00 42.46 38.86 2wg5 s ILE 71 CO -0.01 0.54 0.88 -0.76 -1.23 0.00 0.00 174.94 174.37 2wg5 s LEU 72 N 0.33 3.30 0.19 2.97 1.43 -0.13 -5.00 118.68 121.77 2wg5 s LEU 72 Ca -0.15 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 2wg5 s LEU 72 Cb -0.17 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.57 2wg5 s LEU 72 CO 0.08 -0.98 1.85 1.05 0.23 0.00 0.00 176.35 178.57 2wg5 h GLU 73 N -0.11 0.81 0.00 1.70 4.11 -2.00 -2.18 114.58 116.91 2wg5 h GLU 73 Ca -0.46 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2wg5 h GLU 73 Cb 1.25 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2wg5 h GLU 73 CO 0.61 0.53 0.00 -0.40 0.07 0.00 0.00 179.01 179.82 2wg5 n ASP 74 N -4.66 0.00 0.00 3.06 5.75 -1.26 -4.87 116.55 114.57 2wg5 n ASP 74 Ca 0.05 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.36 2wg5 n ASP 74 Cb 0.03 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.26 2.30 3.78 6.12 0.00 -0.82 -5.08 105.19 111.75 2wg5 n GLY 75 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.79 2.66 0.04 1.61 0.52 -1.26 -4.77 118.95 116.96 2wg5 s ARG 76 Ca 0.00 1.22 0.09 0.00 -0.52 0.00 0.00 55.73 56.52 2wg5 s ARG 76 Cb 0.00 -1.94 -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 -2.68 2.02 -0.23 3.52 1.01 -0.23 -0.96 120.40 122.86 2wg5 s VAL 77 Ca 0.63 -1.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 2wg5 s VAL 77 Cb -0.18 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2wg5 s VAL 77 CO 0.49 0.33 0.19 -0.69 0.00 0.00 0.00 175.10 175.41 2wg5 s VAL 78 N -0.80 5.35 0.06 2.92 1.01 0.63 -0.14 120.40 129.43 2wg5 s VAL 78 Ca 0.11 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.41 2wg5 s VAL 78 Cb -0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 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 1.46 -0.28 2.92 -7.23 0.10 -0.61 120.40 117.70 2wg5 s VAL 79 Ca 0.09 -1.23 -0.13 0.00 -1.81 0.00 0.00 61.98 58.91 2wg5 s VAL 79 Cb -0.13 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 2wg5 s VAL 79 CO 0.04 0.04 0.27 -0.75 -0.31 0.00 0.00 175.10 174.39 2wg5 s LYS 80 N -1.39 3.97 0.43 4.82 2.20 -0.20 -0.83 119.74 128.74 2wg5 s LYS 80 Ca 0.05 -0.18 -0.16 0.00 -0.36 0.00 0.00 55.97 55.32 2wg5 s LYS 80 Cb -0.09 -3.66 -0.09 0.00 -1.51 0.00 0.00 37.83 32.48 2wg5 s LYS 80 CO 0.02 -0.23 0.87 -1.54 -0.36 0.00 0.00 175.35 174.12 2wg5 s SER 81 N 1.71 6.71 0.25 1.43 1.04 -0.36 -0.72 113.70 123.76 2wg5 s SER 81 Ca 0.10 1.44 0.23 0.00 0.48 0.00 0.00 55.95 58.20 2wg5 s SER 81 Cb -0.16 -2.45 0.97 0.00 0.10 0.00 0.00 66.02 64.48 2wg5 s SER 81 CO 0.11 -0.41 1.70 -1.54 0.98 0.00 0.00 173.24 174.08 2wg5 n SER 82 N -1.02 0.64 0.06 7.02 3.41 -0.53 -0.92 113.62 122.28 2wg5 n SER 82 Ca 0.05 0.66 -0.01 0.00 -0.26 0.00 0.00 58.87 59.32 2wg5 n SER 82 Cb 0.54 -0.79 0.29 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.23 0.00 6.66 1.35 -1.93 -3.48 112.91 116.75 2wg5 h THR 83 Ca 0.00 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2wg5 h THR 83 Cb 0.35 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2wg5 h THR 83 CO 0.00 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 2wg5 n GLY 84 N -0.60 4.01 3.67 5.82 0.00 -0.10 -5.13 105.19 112.87 2wg5 n GLY 84 Ca -0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.10 0.01 1.61 0.02 -1.26 -4.56 135.00 130.72 2wg5 s PRO 85 Ca 0.00 0.21 0.03 0.00 0.02 0.00 0.00 61.00 61.26 2wg5 s PRO 85 Cb 0.00 -1.70 -0.03 0.00 0.02 0.00 0.00 34.50 32.78 2wg5 s PRO 85 CO 0.00 -3.02 -0.06 0.15 -0.33 0.00 0.00 177.00 173.74 2wg5 s LYS 86 N -5.22 2.57 0.06 5.54 1.02 -1.26 -1.22 119.74 121.23 2wg5 s LYS 86 Ca 0.68 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.97 2wg5 s LYS 86 Cb -0.14 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.62 2wg5 s LYS 86 CO 0.56 0.60 -0.07 -0.06 -0.92 0.00 0.00 175.35 175.46 2wg5 s PHE 87 N -1.02 0.70 -0.30 3.18 0.40 -0.01 -4.97 117.98 115.97 2wg5 s PHE 87 Ca 0.18 -0.62 -0.12 0.00 -0.60 0.00 0.00 56.93 55.76 2wg5 s PHE 87 Cb -0.11 -0.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.96 2wg5 s PHE 87 CO 0.08 -0.11 0.22 0.08 0.70 0.00 0.00 175.22 176.19 2wg5 s VAL 88 N -2.03 5.29 0.26 -0.44 1.01 -1.26 0.01 120.40 123.23 2wg5 s VAL 88 Ca -0.04 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.13 2wg5 s VAL 88 Cb -0.06 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2wg5 s VAL 88 CO -0.01 0.17 -0.12 0.68 0.00 0.00 0.00 175.10 175.81 2wg5 s VAL 89 N 1.79 1.88 0.74 2.92 -7.23 0.81 -4.93 120.40 116.38 2wg5 s VAL 89 Ca 0.08 -2.22 -0.04 0.00 -1.81 0.00 0.00 61.98 57.99 2wg5 s VAL 89 Cb -0.16 -2.28 0.12 0.00 0.56 0.00 0.00 36.38 34.62 2wg5 s VAL 89 CO 0.11 -0.43 1.03 0.21 -0.31 0.00 0.00 175.10 175.71 2wg5 s ASN 90 N -3.42 4.29 0.04 4.85 3.84 -1.26 -1.07 114.94 122.21 2wg5 s ASN 90 Ca 0.27 -0.10 0.01 0.00 0.21 0.00 0.00 52.86 53.25 2wg5 s ASN 90 Cb 0.00 -0.31 -0.03 0.00 -0.55 0.00 0.00 41.25 40.36 2wg5 s ASN 90 CO 0.11 -1.90 -0.05 0.42 -2.79 0.00 0.00 177.10 172.89 2wg5 s THR 91 N -3.25 0.32 0.46 -5.21 -4.23 -1.26 -1.57 115.64 100.89 2wg5 s THR 91 Ca 0.66 -1.14 -0.24 0.00 -1.18 0.00 0.00 61.69 59.79 2wg5 s THR 91 Cb -0.06 -0.62 -0.07 0.00 1.34 0.00 0.00 72.50 73.09 2wg5 s THR 91 CO 0.45 -0.54 1.31 -0.55 -0.54 0.00 0.00 174.62 174.75 2wg5 s SER 92 N -1.77 5.97 0.28 3.99 0.15 0.13 -4.87 113.70 117.58 2wg5 s SER 92 Ca -0.10 2.65 0.25 0.00 0.70 0.00 0.00 55.95 59.46 2wg5 s SER 92 Cb -0.07 -2.63 0.98 0.00 -1.71 0.00 0.00 66.02 62.58 2wg5 s SER 92 CO -0.02 -1.08 1.75 0.06 1.20 0.00 0.00 173.24 175.14 2wg5 h GLN 93 N 2.21 0.00 -0.66 5.44 3.07 -1.96 -3.17 115.11 120.04 2wg5 h GLN 93 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.24 2wg5 h GLN 93 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 2wg5 h GLN 93 CO 0.61 0.00 0.00 0.66 0.09 0.00 0.00 178.83 180.19 2wg5 n TYR 94 N -2.33 1.23 -3.69 0.06 4.01 -1.26 -4.90 117.16 110.28 2wg5 n TYR 94 Ca 0.03 -0.45 -0.37 0.00 -0.16 0.00 0.00 57.90 56.94 2wg5 n TYR 94 Cb 0.27 -0.28 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 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 5.26 -0.24 -0.72 1.01 -1.20 -5.02 121.20 118.32 2wg5 s ILE 95 Ca 0.37 0.52 -0.29 0.00 0.00 0.00 0.00 60.65 61.24 2wg5 s ILE 95 Cb 0.26 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 2wg5 s ILE 95 CO 0.14 0.58 1.61 0.21 0.00 0.00 0.00 174.94 177.48 2wg5 s ASN 96 N -1.09 6.35 0.41 3.58 2.47 -1.26 -4.88 114.94 120.51 2wg5 s ASN 96 Ca 0.20 1.53 0.12 0.00 0.42 0.00 0.00 52.86 55.13 2wg5 s ASN 96 Cb -0.14 -2.53 0.85 0.00 -1.45 0.00 0.00 41.25 37.98 2wg5 s ASN 96 CO 0.09 -1.30 1.93 1.05 -3.72 0.00 0.00 177.10 175.16 2wg5 h GLU 97 N 10.84 0.12 -0.43 0.43 4.11 -1.95 -0.98 114.58 126.73 2wg5 h GLU 97 Ca -0.33 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.11 2wg5 h GLU 97 Cb 1.15 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2wg5 h GLU 97 CO 1.01 0.31 0.29 1.05 0.07 0.00 0.00 179.01 181.73 2wg5 h GLU 98 N 0.11 0.42 0.00 1.06 9.09 -2.06 -2.63 114.58 120.57 2wg5 h GLU 98 Ca 0.02 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2wg5 h GLU 98 Cb 0.39 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 2wg5 h GLU 98 CO 0.03 0.28 -0.12 0.39 0.05 0.00 0.00 179.01 179.63 2wg5 n GLU 99 N -4.48 0.10 -2.81 1.06 1.02 -0.38 -4.63 120.64 110.54 2wg5 n GLU 99 Ca 0.05 0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.83 2wg5 n GLU 99 Cb 0.18 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 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 -3.56 4.26 -0.01 -4.62 1.43 -0.99 -4.82 118.68 110.37 2wg5 s LEU 100 Ca 0.12 -1.10 -0.22 0.00 -1.03 0.00 0.00 54.13 51.90 2wg5 s LEU 100 Cb 0.16 -2.45 0.05 0.00 0.03 0.00 0.00 46.19 43.98 2wg5 s LEU 100 CO 0.59 -1.45 0.48 -1.59 0.23 0.00 0.00 176.35 174.61 2wg5 s LYS 101 N 4.15 0.89 0.09 1.70 -2.85 -1.26 -5.01 119.74 117.46 2wg5 s LYS 101 Ca 0.27 -0.07 -0.25 0.00 -1.00 0.00 0.00 55.97 54.92 2wg5 s LYS 101 Cb -0.13 0.41 -0.14 0.00 -2.06 0.00 0.00 37.83 35.91 2wg5 s LYS 101 CO 0.07 -0.28 0.57 -2.30 0.10 0.00 0.00 175.35 173.50 2wg5 n PRO 102 N 0.90 0.00 0.00 1.78 -0.02 -1.26 -0.60 135.00 135.80 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 0.58 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 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 1.37 2.73 3.77 -1.23 0.00 -0.15 -4.97 105.19 106.71 2wg5 n GLY 103 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.07 3.58 0.03 4.61 0.00 0.23 -4.65 121.76 123.49 2wg5 s ALA 104 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 51.96 53.13 2wg5 s ALA 104 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2wg5 s ALA 104 CO 0.00 -0.89 0.93 0.50 0.00 0.00 0.00 175.76 176.30 2wg5 s ARG 105 N -1.61 4.59 0.12 0.00 3.52 -1.26 -0.70 118.95 123.61 2wg5 s ARG 105 Ca 0.54 1.35 0.08 0.00 -0.13 0.00 0.00 55.73 57.56 2wg5 s ARG 105 Cb -0.44 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 2wg5 s ARG 105 CO 0.56 0.07 -0.18 0.14 -0.81 0.00 0.00 175.30 175.08 2wg5 s VAL 106 N 0.59 1.62 -0.20 7.11 -7.23 0.39 -0.15 120.40 122.53 2wg5 s VAL 106 Ca 0.48 -1.66 -0.10 0.00 -1.81 0.00 0.00 61.98 58.89 2wg5 s VAL 106 Cb -0.21 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 2wg5 s VAL 106 CO 0.27 -0.21 0.12 0.00 -0.31 0.00 0.00 175.10 174.97 2wg5 s ALA 107 N -1.60 3.67 -0.06 1.32 0.00 0.08 -1.04 121.76 124.13 2wg5 s ALA 107 Ca 0.09 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.41 2wg5 s ALA 107 Cb -0.08 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 2wg5 s ALA 107 CO 0.05 0.17 -0.22 -0.51 0.00 0.00 0.00 175.76 175.25 2wg5 s LEU 108 N 0.32 2.26 0.15 0.00 1.43 0.11 -0.64 118.68 122.32 2wg5 s LEU 108 Ca 0.08 -0.42 -0.32 0.00 -1.03 0.00 0.00 54.13 52.44 2wg5 s LEU 108 Cb -0.11 -1.43 -0.12 0.00 0.03 0.00 0.00 46.19 44.57 2wg5 s LEU 108 CO -0.02 0.27 1.77 -3.20 0.23 0.00 0.00 176.35 175.41 2wg5 n ASN 109 N 2.78 3.93 0.16 2.29 2.85 -0.26 -0.96 115.26 126.04 2wg5 n ASN 109 Ca -0.17 1.02 0.06 0.00 -0.11 0.00 0.00 54.58 55.38 2wg5 n ASN 109 Cb 0.52 -1.54 0.52 0.00 1.24 0.00 0.00 39.78 40.52 2wg5 n ASN 109 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2wg5 h GLN 110 N 7.66 0.20 0.16 1.20 4.20 -1.92 0.30 115.11 126.91 2wg5 h GLN 110 Ca -0.45 -0.02 -0.30 0.00 0.06 0.00 0.00 58.65 57.94 2wg5 h GLN 110 Cb 1.22 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.97 2wg5 h GLN 110 CO 0.95 0.19 -1.50 1.96 -0.67 0.00 0.00 178.83 179.75 2wg5 h GLN 111 N 0.20 0.34 -0.00 1.46 7.50 -1.96 -3.39 115.11 119.26 2wg5 h GLN 111 Ca 0.05 -0.59 0.00 0.00 0.50 0.00 0.00 58.65 58.61 2wg5 h GLN 111 Cb 0.08 0.22 0.00 0.00 0.05 0.00 0.00 27.48 27.83 2wg5 h GLN 111 CO -0.00 1.28 -0.38 0.25 -1.50 0.00 0.00 178.83 178.47 2wg5 n THR 112 N -3.79 0.00 -1.33 -0.54 -2.24 -1.19 -4.99 114.28 100.20 2wg5 n THR 112 Ca -0.23 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.12 2wg5 n THR 112 Cb 0.99 1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 70.23 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 -0.77 -0.85 -4.69 3.22 4.77 0.10 -4.83 117.00 113.96 2wg5 n LEU 113 Ca 0.03 0.30 -0.43 0.00 -0.03 0.00 0.00 56.01 55.88 2wg5 n LEU 113 Cb 0.20 -1.93 -0.01 0.00 -2.33 0.00 0.00 43.42 39.35 2wg5 n LEU 113 CO 0.18 -0.67 0.91 0.00 -1.33 0.00 0.00 177.39 176.49 2wg5 n ALA 114 N 0.46 1.24 -2.48 -1.18 0.00 -1.26 -4.52 120.51 112.78 2wg5 n ALA 114 Ca -0.12 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.26 2wg5 n ALA 114 Cb 0.41 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 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 -0.92 4.24 -0.23 0.00 1.01 -0.61 -1.11 121.20 123.59 2wg5 s ILE 115 Ca 0.57 1.42 -0.01 0.00 0.00 0.00 0.00 60.65 62.63 2wg5 s ILE 115 Cb -0.58 -4.21 -0.19 0.00 0.01 0.00 0.00 42.46 37.49 2wg5 s ILE 115 CO 0.60 -0.45 -0.10 0.52 0.00 0.00 0.00 174.94 175.51 2wg5 n VAL 116 N 6.05 1.56 -3.83 2.92 0.31 0.19 0.18 118.33 125.72 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 0.47 -1.52 -0.10 0.00 -0.91 0.00 0.00 33.84 31.78 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 -6.69 -0.08 0.19 4.52 0.01 -1.13 -4.80 114.94 106.95 2wg5 s ASN 117 Ca -0.32 -0.01 -0.29 0.00 -0.71 0.00 0.00 52.86 51.53 2wg5 s ASN 117 Cb 0.09 0.28 -0.08 0.00 0.41 0.00 0.00 41.25 41.95 2wg5 s ASN 117 CO 0.63 -0.34 0.90 -0.69 -1.51 0.00 0.00 177.10 176.10 2wg5 s VAL 118 N -1.08 4.25 0.19 1.60 1.01 -1.26 -0.74 120.40 124.36 2wg5 s VAL 118 Ca -0.12 1.99 0.03 0.00 0.00 0.00 0.00 61.98 63.89 2wg5 s VAL 118 Cb -0.06 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 2wg5 s VAL 118 CO 0.02 0.46 0.32 -0.76 0.00 0.00 0.00 175.10 175.14 2wg5 s LEU 119 N -0.88 4.32 0.00 3.92 1.02 0.79 -4.89 118.68 122.96 2wg5 s LEU 119 Ca 0.41 0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.70 2wg5 s LEU 119 Cb -0.25 -2.90 0.00 0.00 0.02 0.00 0.00 46.19 43.06 2wg5 s LEU 119 CO 0.30 -0.00 0.48 -0.81 0.02 0.00 0.00 176.35 176.34