#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 0.46 -0.38 2.12 3.11 -2.05 -1.65 116.57 118.18 2wg5 h LYS 35 Ca 0.00 -0.26 0.02 0.00 -2.81 0.00 0.00 60.65 57.59 2wg5 h LYS 35 Cb 0.00 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 2wg5 h LYS 35 CO 0.00 0.85 0.22 1.96 -2.81 0.00 0.00 179.45 179.67 2wg5 h GLN 36 N 0.36 0.44 -0.70 1.90 4.20 -2.05 -1.86 115.11 117.40 2wg5 h GLN 36 Ca 0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2wg5 h GLN 36 Cb 1.00 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 2wg5 h GLN 36 CO 0.09 0.29 0.38 -0.07 -0.67 0.00 0.00 178.83 178.85 2wg5 h LEU 37 N 0.45 0.88 -0.72 1.46 3.38 -1.97 -1.45 115.31 117.35 2wg5 h LEU 37 Ca 0.15 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2wg5 h LEU 37 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2wg5 h LEU 37 CO -0.07 0.73 -0.20 -0.33 0.09 0.00 0.00 178.44 178.66 2wg5 h GLU 38 N 0.97 0.77 -0.58 1.13 5.08 -1.12 -0.91 114.58 119.92 2wg5 h GLU 38 Ca 0.25 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2wg5 h GLU 38 Cb 0.05 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2wg5 h GLU 38 CO -0.04 0.91 0.07 -0.44 -1.00 0.00 0.00 179.01 178.51 2wg5 h ASP 39 N 0.68 0.92 -0.36 1.42 3.32 -1.20 -2.22 116.42 118.97 2wg5 h ASP 39 Ca 0.10 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.78 2wg5 h ASP 39 Cb 0.70 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2wg5 h ASP 39 CO 0.05 0.94 -0.37 0.50 -1.72 0.00 0.00 179.24 178.64 2wg5 h LYS 40 N 0.90 0.89 -0.77 3.56 1.63 -0.57 -1.36 116.57 120.84 2wg5 h LYS 40 Ca 0.18 -0.47 0.01 0.00 -0.85 0.00 0.00 60.65 59.52 2wg5 h LYS 40 Cb 0.43 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 2wg5 h LYS 40 CO 0.01 1.12 0.51 0.28 -3.45 0.00 0.00 179.45 177.92 2wg5 h VAL 41 N 0.69 1.18 -0.39 2.00 2.07 -1.13 -0.04 116.25 120.63 2wg5 h VAL 41 Ca 0.05 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 2wg5 h VAL 41 Cb 0.97 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2wg5 h VAL 41 CO 0.09 0.19 -0.11 -0.08 0.02 0.00 0.00 177.57 177.68 2wg5 h GLU 42 N 1.02 0.77 -0.30 1.57 4.81 -1.13 -0.74 114.58 120.59 2wg5 h GLU 42 Ca 0.29 -0.30 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2wg5 h GLU 42 Cb -0.09 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 2wg5 h GLU 42 CO -0.07 0.91 0.14 1.49 -0.73 0.00 0.00 179.01 180.75 2wg5 h GLU 43 N 0.58 0.29 -0.41 1.92 4.81 -0.99 -1.30 114.58 119.47 2wg5 h GLU 43 Ca 0.10 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 2wg5 h GLU 43 Cb 0.64 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2wg5 h GLU 43 CO 0.04 0.19 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.31 2wg5 h LEU 44 N 0.29 0.74 -0.60 1.64 3.38 -0.91 -1.10 115.31 118.76 2wg5 h LEU 44 Ca 0.13 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 2wg5 h LEU 44 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2wg5 h LEU 44 CO -0.10 0.90 -0.41 -0.07 0.09 0.00 0.00 178.44 178.84 2wg5 h LEU 45 N 0.68 0.68 -0.43 1.67 3.38 -0.90 0.33 115.31 120.72 2wg5 h LEU 45 Ca 0.11 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2wg5 h LEU 45 Cb 0.61 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2wg5 h LEU 45 CO 0.04 1.01 0.24 -1.28 0.09 0.00 0.00 178.44 178.55 2wg5 h SER 46 N 0.52 0.52 -0.45 -0.43 0.87 -1.07 0.11 113.55 113.62 2wg5 h SER 46 Ca 0.04 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 2wg5 h SER 46 Cb 0.94 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 2wg5 h SER 46 CO 0.08 0.44 0.13 0.50 -0.53 0.00 0.00 176.83 177.46 2wg5 h LYS 47 N 0.56 0.72 -0.75 2.24 3.64 -0.93 -1.98 116.57 120.06 2wg5 h LYS 47 Ca 0.15 -0.16 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 2wg5 h LYS 47 Cb 0.03 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 2wg5 h LYS 47 CO -0.03 0.70 0.41 -0.97 -2.27 0.00 0.00 179.45 177.29 2wg5 h ASN 48 N 0.60 0.59 -0.37 4.20 -0.73 -0.17 -1.40 115.58 118.30 2wg5 h ASN 48 Ca 0.14 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.35 2wg5 h ASN 48 Cb 0.29 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 2wg5 h ASN 48 CO -0.00 0.35 0.19 0.22 -0.37 0.00 0.00 177.43 177.82 2wg5 h TYR 49 N 0.72 0.52 -0.53 0.67 3.20 -0.46 -0.15 116.97 120.93 2wg5 h TYR 49 Ca 0.35 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.10 2wg5 h TYR 49 Cb 0.30 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 2wg5 h TYR 49 CO -0.08 0.42 -0.09 0.45 -1.64 0.00 0.00 178.16 177.22 2wg5 h HIS 50 N 0.47 1.11 -0.77 -3.82 3.86 -1.19 -2.06 115.15 112.75 2wg5 h HIS 50 Ca 0.13 -0.23 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 2wg5 h HIS 50 Cb 0.08 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.24 2wg5 h HIS 50 CO -0.02 1.03 0.42 -0.07 0.86 0.00 0.00 177.93 180.15 2wg5 h LEU 51 N 0.87 0.97 -0.72 2.43 3.38 -1.03 -1.16 115.31 120.04 2wg5 h LEU 51 Ca 0.14 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2wg5 h LEU 51 Cb 0.65 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2wg5 h LEU 51 CO 0.04 0.79 0.46 -0.33 0.09 0.00 0.00 178.44 179.49 2wg5 h GLU 52 N 1.07 0.87 -0.41 1.13 5.08 -0.76 -0.17 114.58 121.38 2wg5 h GLU 52 Ca 0.27 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2wg5 h GLU 52 Cb 0.04 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2wg5 h GLU 52 CO -0.04 0.58 0.04 -0.91 -1.00 0.00 0.00 179.01 177.67 2wg5 h ASN 53 N 0.90 0.68 -0.51 1.42 2.35 -1.06 -0.30 115.58 119.05 2wg5 h ASN 53 Ca 0.29 -0.28 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2wg5 h ASN 53 Cb 0.00 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 2wg5 h ASN 53 CO -0.10 0.79 0.28 -0.08 -1.65 0.00 0.00 177.43 176.67 2wg5 h GLU 54 N 0.55 0.54 -0.64 0.81 4.81 -1.04 -1.06 114.58 118.56 2wg5 h GLU 54 Ca 0.12 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 2wg5 h GLU 54 Cb 0.42 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 2wg5 h GLU 54 CO 0.01 0.36 0.18 0.28 -0.73 0.00 0.00 179.01 179.11 2wg5 h VAL 55 N 0.56 1.25 -0.49 0.32 2.07 -0.80 -1.52 116.25 117.63 2wg5 h VAL 55 Ca 0.22 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.87 2wg5 h VAL 55 Cb 0.08 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2wg5 h VAL 55 CO -0.13 0.34 0.30 0.00 0.02 0.00 0.00 177.57 178.10 2wg5 h ALA 56 N 1.07 0.63 -0.36 1.67 0.00 -0.85 -0.56 119.26 120.86 2wg5 h ALA 56 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wg5 h ALA 56 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2wg5 h ALA 56 CO -0.00 0.01 0.22 0.00 0.00 0.00 0.00 179.25 179.48 2wg5 h ARG 57 N 0.60 0.49 -0.15 0.00 3.08 -1.01 0.10 114.38 117.49 2wg5 h ARG 57 Ca 0.19 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2wg5 h ARG 57 Cb -0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2wg5 h ARG 57 CO -0.08 0.36 0.01 -0.07 -1.07 0.00 0.00 179.97 179.12 2wg5 h LEU 58 N 0.47 0.20 -1.19 3.04 3.38 -0.97 -2.83 115.31 117.40 2wg5 h LEU 58 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wg5 h LEU 58 Cb -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2wg5 h LEU 58 CO -0.02 0.23 -0.15 0.54 0.09 0.00 0.00 178.44 179.13 2wg5 n ARG 59 N -4.41 1.62 -2.72 1.13 1.74 -0.24 -4.79 116.66 108.99 2wg5 n ARG 59 Ca -0.01 -1.19 -0.33 0.00 -0.77 0.00 0.00 57.85 55.55 2wg5 n ARG 59 Cb 0.16 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 2wg5 n ARG 59 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wg5 s SER 60 N -2.20 6.79 0.76 0.55 1.04 -0.00 -4.99 113.70 115.65 2wg5 s SER 60 Ca 0.28 1.72 -0.15 0.00 0.48 0.00 0.00 55.95 58.28 2wg5 s SER 60 Cb 0.20 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2wg5 s SER 60 CO 0.41 -0.47 0.76 -2.65 0.98 0.00 0.00 173.24 172.27 2wg5 n PRO 61 N -0.81 0.27 -2.81 4.02 -0.02 -1.26 -4.44 135.00 129.96 2wg5 n PRO 61 Ca 0.07 0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 61.29 2wg5 n PRO 61 Cb 0.54 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.92 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 -3.25 4.66 -0.06 0.52 0.04 -1.26 -5.14 135.00 130.51 2wg5 s PRO 62 Ca 0.68 1.34 0.03 0.00 0.04 0.00 0.00 61.00 63.09 2wg5 s PRO 62 Cb -0.32 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 30.84 2wg5 s PRO 62 CO 0.56 0.28 -0.12 -0.51 0.04 0.00 0.00 177.00 177.25 2wg5 s LEU 63 N -0.21 2.84 0.27 -3.56 1.43 -1.26 -4.49 118.68 113.70 2wg5 s LEU 63 Ca 0.44 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.08 2wg5 s LEU 63 Cb -0.23 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.31 2wg5 s LEU 63 CO 0.28 0.34 1.06 -0.22 0.23 0.00 0.00 176.35 178.04 2wg5 s LEU 64 N -0.68 4.58 0.04 1.79 2.96 -0.39 -4.78 118.68 122.19 2wg5 s LEU 64 Ca 0.10 2.19 -0.19 0.00 -0.22 0.00 0.00 54.13 56.01 2wg5 s LEU 64 Cb -0.11 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 42.90 2wg5 s LEU 64 CO 0.01 -0.07 0.56 -0.69 -1.32 0.00 0.00 176.35 174.84 2wg5 s VAL 65 N -1.14 4.82 0.30 1.68 1.01 -1.26 0.05 120.40 125.85 2wg5 s VAL 65 Ca 0.44 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.63 2wg5 s VAL 65 Cb -0.30 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 2wg5 s VAL 65 CO 0.39 0.51 0.34 0.61 0.00 0.00 0.00 175.10 176.95 2wg5 n GLY 66 N 1.98 2.64 2.88 4.51 0.00 0.21 -0.81 105.19 116.59 2wg5 n GLY 66 Ca -0.09 -1.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.97 0.47 0.17 1.61 1.01 -0.49 -0.07 120.40 120.14 2wg5 s VAL 67 Ca 0.30 -0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.89 2wg5 s VAL 67 Cb 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 2wg5 s VAL 67 CO 0.21 0.21 1.53 -0.69 0.00 0.00 0.00 175.10 176.37 2wg5 s VAL 68 N 0.96 2.70 -0.25 2.92 1.01 0.11 -0.53 120.40 127.31 2wg5 s VAL 68 Ca -0.10 0.51 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 2wg5 s VAL 68 Cb -0.14 -3.33 -0.15 0.00 0.00 0.00 0.00 36.38 32.76 2wg5 s VAL 68 CO -0.00 0.05 -0.17 -0.24 0.00 0.00 0.00 175.10 174.73 2wg5 n SER 69 N 3.75 1.96 -3.56 3.32 2.88 0.15 -0.95 113.62 121.17 2wg5 n SER 69 Ca 0.13 0.25 -0.07 0.00 -1.33 0.00 0.00 58.87 57.85 2wg5 n SER 69 Cb 0.39 -0.77 -0.02 0.00 -0.75 0.00 0.00 64.21 63.06 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 -7.15 -0.31 -0.15 -3.46 -4.77 -1.08 -4.70 116.67 95.05 2wg5 s ASP 70 Ca -0.35 -0.08 -0.02 0.00 -3.30 0.00 0.00 52.55 48.80 2wg5 s ASP 70 Cb 0.11 0.39 -0.02 0.00 -1.09 0.00 0.00 42.92 42.32 2wg5 s ASP 70 CO 0.55 -0.65 -0.09 -0.63 0.70 0.00 0.00 175.17 175.05 2wg5 s ILE 71 N -3.11 3.37 0.31 2.11 -1.09 -1.26 -0.33 121.20 121.20 2wg5 s ILE 71 Ca 0.07 -0.54 -0.08 0.00 -2.23 0.00 0.00 60.65 57.87 2wg5 s ILE 71 Cb -0.01 -2.45 -0.06 0.00 -1.58 0.00 0.00 42.46 38.35 2wg5 s ILE 71 CO -0.07 0.50 0.62 -0.76 -1.23 0.00 0.00 174.94 174.01 2wg5 s LEU 72 N 0.52 4.02 0.30 2.97 1.43 0.32 -4.96 118.68 123.28 2wg5 s LEU 72 Ca -0.06 0.91 0.06 0.00 -1.03 0.00 0.00 54.13 54.01 2wg5 s LEU 72 Cb -0.15 -3.73 0.78 0.00 0.03 0.00 0.00 46.19 43.12 2wg5 s LEU 72 CO 0.03 -0.23 1.73 1.05 0.23 0.00 0.00 176.35 179.16 2wg5 h GLU 73 N 1.78 0.54 -0.00 1.70 4.11 -2.00 0.61 114.58 121.32 2wg5 h GLU 73 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2wg5 h GLU 73 Cb 1.18 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2wg5 h GLU 73 CO 0.66 0.36 0.00 -0.40 0.07 0.00 0.00 179.01 179.70 2wg5 n ASP 74 N -4.92 0.01 0.00 3.06 5.68 -1.26 -4.89 116.55 114.23 2wg5 n ASP 74 Ca 0.24 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 2wg5 n ASP 74 Cb 0.66 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 2wg5 n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wg5 n GLY 75 N 0.78 1.02 3.78 6.12 0.00 0.21 -5.05 105.19 112.05 2wg5 n GLY 75 Ca 0.13 0.00 -0.31 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 -0.38 2.43 0.01 1.61 0.52 -1.26 -4.81 118.95 117.07 2wg5 s ARG 76 Ca 0.00 1.13 0.06 0.00 -0.52 0.00 0.00 55.73 56.40 2wg5 s ARG 76 Cb 0.00 -1.92 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 2wg5 s ARG 76 CO 0.00 -1.51 -0.19 0.08 0.02 0.00 0.00 175.30 173.71 2wg5 s VAL 77 N -2.91 1.49 -0.25 3.52 1.01 -0.83 -0.52 120.40 121.91 2wg5 s VAL 77 Ca 0.61 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 2wg5 s VAL 77 Cb -0.17 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2wg5 s VAL 77 CO 0.55 0.33 0.35 -0.69 0.00 0.00 0.00 175.10 175.63 2wg5 s VAL 78 N -0.56 5.21 0.07 2.92 1.01 0.55 -0.79 120.40 128.81 2wg5 s VAL 78 Ca 0.07 0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.66 2wg5 s VAL 78 Cb -0.08 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2wg5 s VAL 78 CO 0.00 0.21 -0.15 0.68 0.00 0.00 0.00 175.10 175.83 2wg5 s VAL 79 N 1.76 3.01 -0.34 2.92 -7.23 0.00 0.30 120.40 120.82 2wg5 s VAL 79 Ca 0.15 -1.25 -0.15 0.00 -1.81 0.00 0.00 61.98 58.92 2wg5 s VAL 79 Cb -0.15 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 2wg5 s VAL 79 CO 0.09 0.23 0.34 -0.75 -0.31 0.00 0.00 175.10 174.70 2wg5 s LYS 80 N -1.79 3.54 0.49 4.82 2.20 0.31 -1.45 119.74 127.86 2wg5 s LYS 80 Ca 0.17 -0.47 -0.20 0.00 -0.36 0.00 0.00 55.97 55.11 2wg5 s LYS 80 Cb -0.11 -3.81 -0.08 0.00 -1.51 0.00 0.00 37.83 32.32 2wg5 s LYS 80 CO 0.09 -0.52 1.05 -1.54 -0.36 0.00 0.00 175.35 174.06 2wg5 s SER 81 N 1.73 6.27 0.13 1.43 1.04 -0.16 -1.40 113.70 122.75 2wg5 s SER 81 Ca 0.11 1.94 0.16 0.00 0.48 0.00 0.00 55.95 58.64 2wg5 s SER 81 Cb -0.17 -2.56 0.72 0.00 0.10 0.00 0.00 66.02 64.11 2wg5 s SER 81 CO 0.11 -0.83 1.50 -1.54 0.98 0.00 0.00 173.24 173.47 2wg5 n SER 82 N -1.03 0.30 0.13 7.02 3.41 0.01 -1.21 113.62 122.25 2wg5 n SER 82 Ca 0.09 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 2wg5 n SER 82 Cb 0.52 -0.65 0.48 0.00 -0.26 0.00 0.00 64.21 64.31 2wg5 n SER 82 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wg5 n THR 83 N -1.86 0.80 0.00 6.66 -2.24 -1.26 -4.96 114.28 111.43 2wg5 n THR 83 Ca 0.02 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 2wg5 n THR 83 Cb 0.14 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 2wg5 n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wg5 n GLY 84 N 0.12 3.09 3.71 3.38 0.00 -0.35 -5.12 105.19 110.02 2wg5 n GLY 84 Ca 0.02 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 0.56 0.00 1.61 0.02 -1.26 -4.57 135.00 131.36 2wg5 s PRO 85 Ca 0.00 0.41 0.04 0.00 0.02 0.00 0.00 61.00 61.48 2wg5 s PRO 85 Cb 0.00 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.73 2wg5 s PRO 85 CO 0.00 -2.62 -0.11 0.15 -0.33 0.00 0.00 177.00 174.09 2wg5 s LYS 86 N -5.07 2.41 0.04 5.54 1.02 -1.26 -0.99 119.74 121.43 2wg5 s LYS 86 Ca 0.65 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.88 2wg5 s LYS 86 Cb -0.17 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 2wg5 s LYS 86 CO 0.56 0.59 -0.08 -0.06 -0.92 0.00 0.00 175.35 175.44 2wg5 s PHE 87 N -0.92 0.72 -0.24 3.18 0.40 -0.53 -4.98 117.98 115.61 2wg5 s PHE 87 Ca 0.15 -0.49 -0.15 0.00 -0.60 0.00 0.00 56.93 55.84 2wg5 s PHE 87 Cb -0.11 -0.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.96 2wg5 s PHE 87 CO 0.05 -0.07 0.37 0.08 0.70 0.00 0.00 175.22 176.35 2wg5 s VAL 88 N -1.36 5.20 0.12 -0.44 1.01 -1.26 -0.82 120.40 122.86 2wg5 s VAL 88 Ca -0.09 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.52 2wg5 s VAL 88 Cb -0.10 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2wg5 s VAL 88 CO 0.01 0.22 -0.09 0.68 0.00 0.00 0.00 175.10 175.91 2wg5 s VAL 89 N 1.64 0.96 0.82 2.92 -7.23 0.03 -4.94 120.40 114.60 2wg5 s VAL 89 Ca 0.16 -1.91 -0.10 0.00 -1.81 0.00 0.00 61.98 58.32 2wg5 s VAL 89 Cb -0.15 -1.67 0.13 0.00 0.56 0.00 0.00 36.38 35.25 2wg5 s VAL 89 CO 0.08 -0.74 1.16 0.21 -0.31 0.00 0.00 175.10 175.51 2wg5 s ASN 90 N -2.94 4.06 0.03 4.85 3.84 -1.26 -1.97 114.94 121.55 2wg5 s ASN 90 Ca 0.12 0.33 -0.00 0.00 0.21 0.00 0.00 52.86 53.52 2wg5 s ASN 90 Cb 0.02 -0.69 -0.02 0.00 -0.55 0.00 0.00 41.25 40.01 2wg5 s ASN 90 CO -0.01 -2.12 -0.03 0.42 -2.79 0.00 0.00 177.10 172.57 2wg5 s THR 91 N -3.54 0.16 0.48 -5.21 -4.23 -1.26 -0.72 115.64 101.31 2wg5 s THR 91 Ca 0.67 -1.07 -0.24 0.00 -1.18 0.00 0.00 61.69 59.86 2wg5 s THR 91 Cb -0.07 -0.49 -0.07 0.00 1.34 0.00 0.00 72.50 73.20 2wg5 s THR 91 CO 0.49 -0.58 1.41 -0.55 -0.54 0.00 0.00 174.62 174.85 2wg5 s SER 92 N -1.71 5.71 0.00 3.99 0.15 0.14 -4.88 113.70 117.10 2wg5 s SER 92 Ca -0.12 2.89 0.20 0.00 0.70 0.00 0.00 55.95 59.62 2wg5 s SER 92 Cb -0.07 -2.65 0.97 0.00 -1.71 0.00 0.00 66.02 62.56 2wg5 s SER 92 CO -0.02 -1.28 1.63 0.00 1.20 0.00 0.00 173.24 174.76 2wg5 n GLN 93 N -0.41 0.21 -0.61 5.44 10.64 -1.26 -3.16 117.38 128.24 2wg5 n GLN 93 Ca 0.06 0.11 0.09 0.00 -1.83 0.00 0.00 57.00 55.44 2wg5 n GLN 93 Cb 0.42 -1.50 0.35 0.00 -0.86 0.00 0.00 30.24 28.65 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 -1.34 1.45 -2.99 2.61 4.01 -1.26 -4.94 117.16 114.71 2wg5 n TYR 94 Ca 0.08 -0.64 -0.39 0.00 -0.16 0.00 0.00 57.90 56.80 2wg5 n TYR 94 Cb 0.18 -0.27 -0.06 0.00 -0.31 0.00 0.00 39.34 38.88 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 -1.97 4.39 -0.46 -0.72 1.01 -1.19 -4.99 121.20 117.28 2wg5 s ILE 95 Ca 0.49 1.64 -0.28 0.00 0.00 0.00 0.00 60.65 62.51 2wg5 s ILE 95 Cb 0.33 -4.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.71 2wg5 s ILE 95 CO 0.22 0.45 1.60 0.21 0.00 0.00 0.00 174.94 177.41 2wg5 s ASN 96 N -1.26 5.99 0.60 3.58 3.04 -1.26 -4.87 114.94 120.76 2wg5 s ASN 96 Ca 0.38 0.76 0.31 0.00 0.04 0.00 0.00 52.86 54.34 2wg5 s ASN 96 Cb -0.22 -2.54 1.74 0.00 -1.54 0.00 0.00 41.25 38.70 2wg5 s ASN 96 CO 0.25 -1.73 2.11 -0.33 -3.04 0.00 0.00 177.10 174.37 2wg5 h GLU 97 N 12.09 0.00 -0.85 0.43 5.08 -1.94 -1.92 114.58 127.47 2wg5 h GLU 97 Ca -0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2wg5 h GLU 97 Cb 1.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2wg5 h GLU 97 CO 1.11 0.00 0.51 1.49 -1.00 0.00 0.00 179.01 181.12 2wg5 h GLU 98 N 0.00 1.15 0.00 2.33 4.81 -2.04 -2.62 114.58 118.20 2wg5 h GLU 98 Ca 0.07 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2wg5 h GLU 98 Cb 0.45 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2wg5 h GLU 98 CO -0.00 0.81 -0.14 0.39 -0.73 0.00 0.00 179.01 179.34 2wg5 n GLU 99 N -4.43 0.01 -2.74 1.92 1.02 -0.73 -4.64 120.64 111.05 2wg5 n GLU 99 Ca 0.09 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 2wg5 n GLU 99 Cb 0.06 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 2wg5 n GLU 99 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2wg5 s LEU 100 N -3.06 4.17 0.14 -4.62 0.20 -0.99 -4.79 118.68 109.74 2wg5 s LEU 100 Ca 0.13 -1.51 -0.17 0.00 0.69 0.00 0.00 54.13 53.27 2wg5 s LEU 100 Cb 0.18 -2.48 0.03 0.00 -0.43 0.00 0.00 46.19 43.49 2wg5 s LEU 100 CO 0.58 -1.36 0.44 -1.59 -0.29 0.00 0.00 176.35 174.12 2wg5 s LYS 101 N 4.07 1.16 0.15 1.98 -2.85 -1.26 -4.99 119.74 117.98 2wg5 s LYS 101 Ca 0.37 -0.74 -0.34 0.00 -1.00 0.00 0.00 55.97 54.26 2wg5 s LYS 101 Cb -0.05 0.49 -0.16 0.00 -2.06 0.00 0.00 37.83 36.05 2wg5 s LYS 101 CO -0.05 -0.47 1.18 -2.30 0.10 0.00 0.00 175.35 173.82 2wg5 n PRO 102 N -0.26 1.08 0.00 1.78 -0.02 -1.26 -1.43 135.00 134.89 2wg5 n PRO 102 Ca -0.14 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2wg5 n PRO 102 Cb 0.64 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 2.11 2.41 3.77 -1.23 0.00 -0.12 -4.98 105.19 107.14 2wg5 n GLY 103 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.24 3.34 -0.04 4.61 0.00 -0.51 -4.70 121.76 122.21 2wg5 s ALA 104 Ca 0.00 1.44 -0.15 0.00 0.00 0.00 0.00 51.96 53.24 2wg5 s ALA 104 Cb 0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 2wg5 s ALA 104 CO 0.00 -1.06 0.41 0.50 0.00 0.00 0.00 175.76 175.61 2wg5 s ARG 105 N -2.29 4.03 0.08 0.00 3.52 -1.26 -0.72 118.95 122.31 2wg5 s ARG 105 Ca 0.58 0.39 0.04 0.00 -0.13 0.00 0.00 55.73 56.61 2wg5 s ARG 105 Cb -0.43 -3.28 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 2wg5 s ARG 105 CO 0.56 0.55 -0.12 0.14 -0.81 0.00 0.00 175.30 175.62 2wg5 s VAL 106 N -0.60 0.98 -0.26 7.11 -7.23 0.90 0.19 120.40 121.49 2wg5 s VAL 106 Ca 0.24 -1.39 -0.09 0.00 -1.81 0.00 0.00 61.98 58.93 2wg5 s VAL 106 Cb -0.16 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 2wg5 s VAL 106 CO 0.12 -0.36 0.13 0.00 -0.31 0.00 0.00 175.10 174.68 2wg5 s ALA 107 N -1.67 3.35 -0.07 1.32 0.00 -0.56 -0.62 121.76 123.51 2wg5 s ALA 107 Ca -0.01 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2wg5 s ALA 107 Cb -0.08 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2wg5 s ALA 107 CO 0.01 -0.48 -0.12 -0.51 0.00 0.00 0.00 175.76 174.67 2wg5 s LEU 108 N 1.61 2.84 0.23 0.00 1.43 0.11 -0.89 118.68 124.02 2wg5 s LEU 108 Ca 0.07 -0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 52.68 2wg5 s LEU 108 Cb -0.15 -1.60 -0.13 0.00 0.03 0.00 0.00 46.19 44.34 2wg5 s LEU 108 CO 0.07 0.32 1.47 -3.20 0.23 0.00 0.00 176.35 175.23 2wg5 n ASN 109 N 2.49 2.98 0.08 2.29 2.85 -0.04 -1.26 115.26 124.65 2wg5 n ASN 109 Ca -0.17 1.13 -0.02 0.00 -0.11 0.00 0.00 54.58 55.41 2wg5 n ASN 109 Cb 0.52 -1.45 0.23 0.00 1.24 0.00 0.00 39.78 40.32 2wg5 n ASN 109 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2wg5 h GLN 110 N 4.59 0.30 0.12 1.20 4.15 -1.92 0.83 115.11 124.39 2wg5 h GLN 110 Ca -0.45 -0.13 -0.18 0.00 0.77 0.00 0.00 58.65 58.66 2wg5 h GLN 110 Cb 1.26 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.96 2wg5 h GLN 110 CO 0.78 0.62 -0.84 1.96 -1.93 0.00 0.00 178.83 179.42 2wg5 h GLN 111 N 0.26 0.25 0.00 1.69 7.50 -1.95 -3.39 115.11 119.47 2wg5 h GLN 111 Ca 0.03 -0.43 0.00 0.00 0.50 0.00 0.00 58.65 58.75 2wg5 h GLN 111 Cb 0.74 0.16 0.00 0.00 0.05 0.00 0.00 27.48 28.43 2wg5 h GLN 111 CO 0.06 1.21 -0.88 0.25 -1.50 0.00 0.00 178.83 177.97 2wg5 n THR 112 N -4.15 0.00 -1.14 -0.54 -2.24 -1.22 -4.98 114.28 100.00 2wg5 n THR 112 Ca -0.16 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 2wg5 n THR 112 Cb 0.80 0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 69.91 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 -1.46 -0.41 -4.62 3.22 4.77 0.28 -4.85 117.00 113.94 2wg5 n LEU 113 Ca 0.03 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 2wg5 n LEU 113 Cb 0.28 -2.00 0.01 0.00 -2.33 0.00 0.00 43.42 39.38 2wg5 n LEU 113 CO 0.34 -0.71 0.63 0.00 -1.33 0.00 0.00 177.39 176.32 2wg5 n ALA 114 N 0.63 0.33 -2.63 -1.18 0.00 -1.26 -4.50 120.51 111.89 2wg5 n ALA 114 Ca -0.09 0.25 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 2wg5 n ALA 114 Cb 0.42 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.25 4.49 -0.14 0.00 1.01 0.10 -0.86 121.20 124.55 2wg5 s ILE 115 Ca 0.62 1.67 -0.11 0.00 0.00 0.00 0.00 60.65 62.84 2wg5 s ILE 115 Cb -0.56 -4.43 -0.25 0.00 0.01 0.00 0.00 42.46 37.24 2wg5 s ILE 115 CO 0.57 -0.52 0.33 0.52 0.00 0.00 0.00 174.94 175.84 2wg5 n VAL 116 N 5.95 1.73 -3.77 2.92 0.31 -0.07 0.28 118.33 125.68 2wg5 n VAL 116 Ca 0.12 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.81 2wg5 n VAL 116 Cb 0.47 -1.82 -0.09 0.00 -0.91 0.00 0.00 33.84 31.49 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 -7.01 -0.22 0.25 4.52 0.02 -1.15 -4.75 114.94 106.60 2wg5 s ASN 117 Ca -0.24 0.24 -0.27 0.00 -1.02 0.00 0.00 52.86 51.57 2wg5 s ASN 117 Cb 0.06 0.42 -0.09 0.00 0.02 0.00 0.00 41.25 41.66 2wg5 s ASN 117 CO 0.73 -0.33 0.89 -0.69 0.02 0.00 0.00 177.10 177.72 2wg5 s VAL 118 N -0.83 4.21 0.15 1.60 1.01 -1.26 -1.50 120.40 123.77 2wg5 s VAL 118 Ca -0.09 1.88 0.05 0.00 0.00 0.00 0.00 61.98 63.81 2wg5 s VAL 118 Cb -0.04 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 2wg5 s VAL 118 CO 0.03 0.39 0.13 -0.76 0.00 0.00 0.00 175.10 174.88 2wg5 s LEU 119 N -1.47 3.81 0.00 3.92 1.02 0.13 -4.89 118.68 121.20 2wg5 s LEU 119 Ca 0.42 -0.10 0.19 0.00 0.02 0.00 0.00 54.13 54.66 2wg5 s LEU 119 Cb -0.23 -2.43 1.15 0.00 0.02 0.00 0.00 46.19 44.70 2wg5 s LEU 119 CO 0.28 0.09 1.54 -0.81 0.02 0.00 0.00 176.35 177.46