#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 0.60 0.00 2.12 3.11 -2.05 -3.23 116.57 117.11 2wg5 h LYS 35 Ca 0.00 -0.83 0.00 0.00 -2.81 0.00 0.00 60.65 57.01 2wg5 h LYS 35 Cb 0.00 0.28 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 2wg5 h LYS 35 CO 0.00 1.38 0.00 1.04 -2.81 0.00 0.00 179.45 179.06 2wg5 n GLN 36 N -3.77 0.12 0.01 1.90 1.13 -1.26 -0.89 117.38 114.62 2wg5 n GLN 36 Ca -0.14 0.22 -0.17 0.00 -1.94 0.00 0.00 57.00 54.98 2wg5 n GLN 36 Cb 1.00 -1.67 -0.14 0.00 0.11 0.00 0.00 30.24 29.54 2wg5 n GLN 36 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2wg5 h LEU 37 N 0.00 0.29 -0.74 1.08 3.38 -1.99 -2.80 115.31 114.53 2wg5 h LEU 37 Ca 0.00 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.31 2wg5 h LEU 37 Cb 0.47 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2wg5 h LEU 37 CO 0.00 1.53 0.21 -0.33 0.09 0.00 0.00 178.44 179.94 2wg5 h GLU 38 N 0.05 1.16 -0.06 1.13 5.08 -1.50 0.08 114.58 120.51 2wg5 h GLU 38 Ca -0.35 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 57.75 2wg5 h GLU 38 Cb 2.03 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 2wg5 h GLU 38 CO 0.10 1.00 0.02 -0.44 -1.00 0.00 0.00 179.01 178.69 2wg5 h ASP 39 N 1.11 0.09 -0.01 1.42 5.19 -1.15 -2.51 116.42 120.56 2wg5 h ASP 39 Ca 0.24 -0.20 0.03 0.00 -0.62 0.00 0.00 57.03 56.47 2wg5 h ASP 39 Cb 0.33 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.78 2wg5 h ASP 39 CO -0.00 0.27 -0.19 0.50 -3.12 0.00 0.00 179.24 176.70 2wg5 h LYS 40 N -0.09 -0.29 -0.70 3.56 1.63 -1.39 -0.30 116.57 118.99 2wg5 h LYS 40 Ca 0.02 0.02 0.20 0.00 -0.85 0.00 0.00 60.65 60.04 2wg5 h LYS 40 Cb 0.21 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 2wg5 h LYS 40 CO -0.00 -0.19 0.50 0.28 -3.45 0.00 0.00 179.45 176.59 2wg5 h VAL 41 N -0.30 0.66 0.07 2.00 2.07 -0.96 -1.14 116.25 118.65 2wg5 h VAL 41 Ca 0.06 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.47 2wg5 h VAL 41 Cb 0.38 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2wg5 h VAL 41 CO -0.19 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 176.58 2wg5 h GLU 42 N 0.02 0.15 -0.52 1.57 4.39 -0.65 -1.72 114.58 117.82 2wg5 h GLU 42 Ca 0.33 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 2wg5 h GLU 42 Cb 1.31 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.03 2wg5 h GLU 42 CO -0.01 1.13 0.08 1.05 -1.16 0.00 0.00 179.01 180.09 2wg5 h GLU 43 N -0.67 0.82 -0.34 2.33 4.11 -0.75 -2.95 114.58 117.13 2wg5 h GLU 43 Ca -0.09 -0.19 -0.07 0.00 0.07 0.00 0.00 59.36 59.08 2wg5 h GLU 43 Cb 1.35 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2wg5 h GLU 43 CO 0.07 0.77 -0.06 -0.07 0.07 0.00 0.00 179.01 179.79 2wg5 h LEU 44 N 0.78 0.65 -1.47 3.06 3.38 -1.29 -0.01 115.31 120.41 2wg5 h LEU 44 Ca 0.16 -0.35 0.12 0.00 0.09 0.00 0.00 57.88 57.90 2wg5 h LEU 44 Cb 0.36 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2wg5 h LEU 44 CO 0.01 0.85 0.49 -0.07 0.09 0.00 0.00 178.44 179.81 2wg5 h LEU 45 N 0.44 0.51 0.09 1.67 3.38 -1.26 0.57 115.31 120.71 2wg5 h LEU 45 Ca 0.09 0.02 -0.33 0.00 0.09 0.00 0.00 57.88 57.75 2wg5 h LEU 45 Cb 0.55 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2wg5 h LEU 45 CO 0.03 0.29 -1.78 0.77 0.09 0.00 0.00 178.44 177.84 2wg5 h SER 46 N 0.56 0.30 -0.27 -0.43 4.64 -1.37 -1.88 113.55 115.10 2wg5 h SER 46 Ca 0.36 -0.58 0.05 0.00 -0.47 0.00 0.00 61.79 61.15 2wg5 h SER 46 Cb 0.61 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.55 2wg5 h SER 46 CO -0.13 1.51 -0.06 0.11 -0.87 0.00 0.00 176.83 177.39 2wg5 h LYS 47 N 0.05 0.01 -0.20 4.77 1.57 -0.85 -1.68 116.57 120.24 2wg5 h LYS 47 Ca -0.33 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 2wg5 h LYS 47 Cb 2.03 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.32 2wg5 h LYS 47 CO 0.11 0.01 -0.09 -0.91 -0.57 0.00 0.00 179.45 178.00 2wg5 h ASN 48 N 0.01 0.29 -0.46 0.86 2.35 -0.95 -0.20 115.58 117.48 2wg5 h ASN 48 Ca 0.13 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2wg5 h ASN 48 Cb 0.19 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2wg5 h ASN 48 CO -0.27 0.42 0.13 0.22 -1.65 0.00 0.00 177.43 176.28 2wg5 h TYR 49 N 0.29 0.75 -0.28 1.19 5.03 -0.90 -0.92 116.97 122.13 2wg5 h TYR 49 Ca 0.06 -0.08 -0.15 0.00 2.58 0.00 0.00 58.73 61.14 2wg5 h TYR 49 Cb 0.35 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 2wg5 h TYR 49 CO 0.01 0.68 -0.42 0.45 -1.32 0.00 0.00 178.16 177.56 2wg5 h HIS 50 N 0.60 0.82 -0.09 -3.82 3.86 -0.67 -2.00 115.15 113.85 2wg5 h HIS 50 Ca 0.15 -0.25 -0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2wg5 h HIS 50 Cb 0.30 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 2wg5 h HIS 50 CO 0.02 0.99 0.06 -0.07 0.86 0.00 0.00 177.93 179.78 2wg5 h LEU 51 N 0.56 0.11 -1.83 2.43 3.38 -0.97 -1.56 115.31 117.42 2wg5 h LEU 51 Ca 0.04 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2wg5 h LEU 51 Cb 0.96 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2wg5 h LEU 51 CO 0.09 0.12 0.19 -0.33 0.09 0.00 0.00 178.44 178.61 2wg5 h GLU 52 N 0.09 0.21 -0.06 1.13 5.08 -1.00 -0.74 114.58 119.29 2wg5 h GLU 52 Ca 0.03 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.17 2wg5 h GLU 52 Cb 0.03 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2wg5 h GLU 52 CO -0.01 0.14 -0.82 -0.97 -1.00 0.00 0.00 179.01 176.36 2wg5 h ASN 53 N 0.22 0.59 -0.38 1.42 -1.24 -1.04 -1.97 115.58 113.18 2wg5 h ASN 53 Ca 0.12 -0.42 -0.05 0.00 0.71 0.00 0.00 56.30 56.67 2wg5 h ASN 53 Cb 0.22 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 2wg5 h ASN 53 CO -0.02 1.19 0.03 -0.08 -1.29 0.00 0.00 177.43 177.26 2wg5 h GLU 54 N 0.31 0.64 -0.08 6.67 4.57 -0.25 -1.33 114.58 125.11 2wg5 h GLU 54 Ca -0.05 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 57.97 2wg5 h GLU 54 Cb 1.42 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.92 2wg5 h GLU 54 CO 0.15 0.72 -0.09 0.28 -1.18 0.00 0.00 179.01 178.89 2wg5 h VAL 55 N 0.47 0.76 -0.79 0.32 2.07 -1.17 -1.16 116.25 116.75 2wg5 h VAL 55 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.70 2wg5 h VAL 55 Cb 0.41 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 2wg5 h VAL 55 CO 0.01 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.07 2wg5 h ALA 56 N 0.94 1.08 -0.59 1.67 0.00 -1.29 -0.77 119.26 120.30 2wg5 h ALA 56 Ca 0.06 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2wg5 h ALA 56 Cb 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2wg5 h ALA 56 CO -0.14 0.15 0.12 0.00 0.00 0.00 0.00 179.25 179.37 2wg5 h ARG 57 N 0.83 0.94 0.00 0.00 3.08 -0.96 -2.57 114.38 115.69 2wg5 h ARG 57 Ca 0.36 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2wg5 h ARG 57 Cb 0.23 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2wg5 h ARG 57 CO -0.20 0.86 -0.37 -0.07 -1.07 0.00 0.00 179.97 179.12 2wg5 h LEU 58 N 0.89 0.00 -0.37 3.04 3.38 -0.56 -3.31 115.31 118.40 2wg5 h LEU 58 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2wg5 h LEU 58 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2wg5 h LEU 58 CO 0.00 0.02 -0.70 0.54 0.09 0.00 0.00 178.44 178.40 2wg5 n ARG 59 N -2.69 0.47 -2.25 1.13 1.74 -0.35 -4.97 116.66 109.74 2wg5 n ARG 59 Ca 0.03 -0.37 -0.42 0.00 -0.77 0.00 0.00 57.85 56.33 2wg5 n ARG 59 Cb 0.50 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.79 6.91 0.63 0.55 1.04 -0.98 -4.96 113.70 114.11 2wg5 s SER 60 Ca 0.13 2.27 -0.18 0.00 0.48 0.00 0.00 55.95 58.65 2wg5 s SER 60 Cb 0.17 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.69 2wg5 s SER 60 CO 0.72 -0.57 1.21 -2.84 0.98 0.00 0.00 173.24 172.74 2wg5 s PRO 61 N 0.76 2.73 0.86 4.02 0.02 -1.26 -5.01 135.00 137.12 2wg5 s PRO 61 Ca 0.61 1.82 -0.11 0.00 0.02 0.00 0.00 61.00 63.34 2wg5 s PRO 61 Cb -0.35 -1.90 0.16 0.00 0.02 0.00 0.00 34.50 32.43 2wg5 s PRO 61 CO 0.32 -1.39 1.19 -1.25 -0.33 0.00 0.00 177.00 175.54 2wg5 s PRO 62 N -3.51 1.15 -0.00 5.54 0.04 -1.26 -5.04 135.00 131.93 2wg5 s PRO 62 Ca 0.77 -0.56 0.05 0.00 0.04 0.00 0.00 61.00 61.30 2wg5 s PRO 62 Cb -0.30 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 2wg5 s PRO 62 CO 0.37 -1.99 -0.13 -0.51 0.04 0.00 0.00 177.00 174.78 2wg5 s LEU 63 N -5.60 2.83 -0.02 -3.56 1.43 -1.26 -4.12 118.68 108.37 2wg5 s LEU 63 Ca 0.70 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 53.34 2wg5 s LEU 63 Cb -0.05 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2wg5 s LEU 63 CO 0.50 0.29 0.56 -0.22 0.23 0.00 0.00 176.35 177.71 2wg5 s LEU 64 N -1.20 4.40 -0.01 1.79 2.96 -0.45 -4.77 118.68 121.41 2wg5 s LEU 64 Ca 0.14 1.09 -0.20 0.00 -0.22 0.00 0.00 54.13 54.94 2wg5 s LEU 64 Cb -0.11 -2.85 -0.05 0.00 0.50 0.00 0.00 46.19 43.68 2wg5 s LEU 64 CO 0.04 0.11 0.59 -0.69 -1.32 0.00 0.00 176.35 175.09 2wg5 s VAL 65 N -0.18 4.91 0.22 1.68 1.01 -1.26 0.23 120.40 127.02 2wg5 s VAL 65 Ca 0.29 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.53 2wg5 s VAL 65 Cb -0.18 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 2wg5 s VAL 65 CO 0.16 0.42 0.24 0.61 0.00 0.00 0.00 175.10 176.53 2wg5 n GLY 66 N 2.44 2.93 2.91 4.51 0.00 -0.59 -0.89 105.19 116.50 2wg5 n GLY 66 Ca -0.07 -1.69 -0.21 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 -2.79 0.66 0.16 1.61 1.01 -0.25 -1.20 120.40 119.60 2wg5 s VAL 67 Ca 0.23 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 2wg5 s VAL 67 Cb 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 36.38 35.61 2wg5 s VAL 67 CO 0.16 0.26 1.69 -0.69 0.00 0.00 0.00 175.10 176.52 2wg5 s VAL 68 N 0.94 2.44 -0.25 2.92 1.01 0.51 -0.57 120.40 127.39 2wg5 s VAL 68 Ca -0.11 0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.00 2wg5 s VAL 68 Cb -0.14 -3.13 -0.12 0.00 0.00 0.00 0.00 36.38 32.98 2wg5 s VAL 68 CO 0.00 0.01 -0.30 -0.24 0.00 0.00 0.00 175.10 174.58 2wg5 n SER 69 N 4.54 1.89 -3.52 3.32 2.88 0.13 -0.96 113.62 121.91 2wg5 n SER 69 Ca 0.16 0.19 -0.13 0.00 -1.33 0.00 0.00 58.87 57.76 2wg5 n SER 69 Cb 0.37 -0.65 -0.04 0.00 -0.75 0.00 0.00 64.21 63.14 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 -7.04 -0.49 -0.17 -3.46 -4.77 -1.05 -4.75 116.67 94.94 2wg5 s ASP 70 Ca -0.35 0.12 -0.12 0.00 -3.30 0.00 0.00 52.55 48.91 2wg5 s ASP 70 Cb 0.12 0.54 -0.05 0.00 -1.09 0.00 0.00 42.92 42.44 2wg5 s ASP 70 CO 0.48 -0.82 0.21 -0.63 0.70 0.00 0.00 175.17 175.11 2wg5 s ILE 71 N -2.93 5.36 0.36 2.11 -1.09 -1.26 -0.54 121.20 123.21 2wg5 s ILE 71 Ca -0.03 0.36 -0.01 0.00 -2.23 0.00 0.00 60.65 58.75 2wg5 s ILE 71 Cb -0.00 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2wg5 s ILE 71 CO -0.06 0.43 0.59 -0.76 -1.23 0.00 0.00 174.94 173.91 2wg5 s LEU 72 N 0.30 3.96 0.31 2.97 1.43 0.62 -4.99 118.68 123.28 2wg5 s LEU 72 Ca 0.12 0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 2wg5 s LEU 72 Cb -0.12 -3.42 0.52 0.00 0.03 0.00 0.00 46.19 43.20 2wg5 s LEU 72 CO 0.01 -0.33 1.88 1.05 0.23 0.00 0.00 176.35 179.19 2wg5 h GLU 73 N 0.77 0.72 0.00 1.70 4.11 -1.98 -1.89 114.58 118.00 2wg5 h GLU 73 Ca -0.49 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 58.81 2wg5 h GLU 73 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2wg5 h GLU 73 CO 0.62 0.64 0.00 -0.40 0.07 0.00 0.00 179.01 179.94 2wg5 n ASP 74 N -4.31 0.00 0.00 3.06 5.68 -1.26 -4.86 116.55 114.86 2wg5 n ASP 74 Ca 0.03 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 2wg5 n ASP 74 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 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 0.39 0.84 3.88 6.12 0.00 -0.71 -5.05 105.19 110.66 2wg5 n GLY 75 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.70 3.68 0.02 1.61 0.52 -1.26 -4.48 118.95 118.34 2wg5 s ARG 76 Ca 0.00 0.48 0.08 0.00 -0.52 0.00 0.00 55.73 55.76 2wg5 s ARG 76 Cb 0.00 -2.30 -0.02 0.00 0.52 0.00 0.00 34.95 33.15 2wg5 s ARG 76 CO 0.00 -0.22 -0.22 0.08 0.02 0.00 0.00 175.30 174.95 2wg5 s VAL 77 N -2.68 1.79 -0.27 3.52 1.01 -0.41 -0.28 120.40 123.08 2wg5 s VAL 77 Ca 0.51 -1.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 2wg5 s VAL 77 Cb -0.10 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2wg5 s VAL 77 CO 0.40 0.34 0.31 -0.69 0.00 0.00 0.00 175.10 175.46 2wg5 s VAL 78 N -0.70 5.22 -0.06 2.92 1.01 0.29 -0.40 120.40 128.70 2wg5 s VAL 78 Ca 0.09 0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.57 2wg5 s VAL 78 Cb -0.09 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2wg5 s VAL 78 CO 0.01 0.20 -0.23 -0.69 0.00 0.00 0.00 175.10 174.39 2wg5 s VAL 79 N 1.88 1.88 -0.47 2.92 1.01 0.30 0.22 120.40 128.14 2wg5 s VAL 79 Ca 0.13 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 2wg5 s VAL 79 Cb -0.16 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.66 2wg5 s VAL 79 CO 0.10 0.53 0.61 -0.75 0.00 0.00 0.00 175.10 175.58 2wg5 s LYS 80 N -0.08 3.18 0.60 2.72 2.47 0.26 -1.01 119.74 127.88 2wg5 s LYS 80 Ca -0.05 -0.66 -0.16 0.00 -1.56 0.00 0.00 55.97 53.54 2wg5 s LYS 80 Cb -0.13 -4.02 -0.03 0.00 -1.46 0.00 0.00 37.83 32.18 2wg5 s LYS 80 CO 0.04 -1.09 1.07 -1.54 0.16 0.00 0.00 175.35 173.99 2wg5 s SER 81 N 2.29 5.66 0.22 1.43 1.04 -0.46 -1.09 113.70 122.79 2wg5 s SER 81 Ca 0.18 1.87 0.24 0.00 0.48 0.00 0.00 55.95 58.72 2wg5 s SER 81 Cb -0.17 -2.54 0.92 0.00 0.10 0.00 0.00 66.02 64.34 2wg5 s SER 81 CO 0.15 -1.25 1.72 -1.54 0.98 0.00 0.00 173.24 173.30 2wg5 n SER 82 N -2.05 0.64 0.18 7.02 3.41 -0.07 -2.01 113.62 120.74 2wg5 n SER 82 Ca 0.09 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.46 2wg5 n SER 82 Cb 0.53 -0.77 0.57 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.00 0.00 6.66 1.35 -1.92 -3.48 112.91 115.51 2wg5 h THR 83 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2wg5 h THR 83 Cb 0.46 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2wg5 h THR 83 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2wg5 n GLY 84 N -0.13 2.70 3.72 5.82 0.00 -0.85 -5.12 105.19 111.33 2wg5 n GLY 84 Ca 0.01 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 1.33 -0.01 1.61 0.02 -1.26 -4.53 135.00 132.15 2wg5 s PRO 85 Ca 0.00 0.81 -0.01 0.00 0.02 0.00 0.00 61.00 61.83 2wg5 s PRO 85 Cb 0.00 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.66 2wg5 s PRO 85 CO 0.00 -2.19 0.08 0.15 -0.33 0.00 0.00 177.00 174.71 2wg5 s LYS 86 N -4.95 3.08 0.05 5.54 1.02 -1.26 -1.35 119.74 121.87 2wg5 s LYS 86 Ca 0.63 -0.47 0.05 0.00 0.02 0.00 0.00 55.97 56.20 2wg5 s LYS 86 Cb -0.18 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 2wg5 s LYS 86 CO 0.57 0.65 -0.13 -0.06 -0.92 0.00 0.00 175.35 175.46 2wg5 s PHE 87 N -1.18 1.13 -0.28 3.18 0.08 -0.18 -4.96 117.98 115.76 2wg5 s PHE 87 Ca 0.22 -0.41 -0.16 0.00 0.12 0.00 0.00 56.93 56.70 2wg5 s PHE 87 Cb -0.12 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.65 2wg5 s PHE 87 CO 0.13 0.03 0.44 0.08 -0.10 0.00 0.00 175.22 175.80 2wg5 s VAL 88 N -1.09 5.12 0.22 -0.44 1.01 -1.26 -0.54 120.40 123.43 2wg5 s VAL 88 Ca -0.01 0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.62 2wg5 s VAL 88 Cb -0.09 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2wg5 s VAL 88 CO 0.02 0.07 -0.06 0.68 0.00 0.00 0.00 175.10 175.81 2wg5 s VAL 89 N 2.19 1.31 0.43 2.92 -7.23 0.47 -4.94 120.40 115.55 2wg5 s VAL 89 Ca 0.17 -2.09 -0.11 0.00 -1.81 0.00 0.00 61.98 58.15 2wg5 s VAL 89 Cb -0.16 -2.23 -0.06 0.00 0.56 0.00 0.00 36.38 34.49 2wg5 s VAL 89 CO 0.10 -0.44 0.80 0.20 -0.31 0.00 0.00 175.10 175.46 2wg5 s ASN 90 N -3.32 6.50 0.72 4.85 0.01 -1.26 -1.28 114.94 121.15 2wg5 s ASN 90 Ca 0.26 1.17 -0.06 0.00 -0.71 0.00 0.00 52.86 53.51 2wg5 s ASN 90 Cb 0.04 -2.34 0.08 0.00 0.41 0.00 0.00 41.25 39.43 2wg5 s ASN 90 CO 0.08 -0.45 1.02 0.42 -1.51 0.00 0.00 177.10 176.66 2wg5 s THR 91 N -2.46 2.26 0.11 1.60 -4.23 -1.26 -1.18 115.64 110.47 2wg5 s THR 91 Ca 0.52 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.71 2wg5 s THR 91 Cb -0.10 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 2wg5 s THR 91 CO 0.33 0.00 0.03 -0.94 -0.54 0.00 0.00 174.62 173.50 2wg5 s SER 92 N -4.57 0.39 0.53 3.99 1.04 -0.89 -4.71 113.70 109.48 2wg5 s SER 92 Ca 0.62 -1.15 0.34 0.00 0.48 0.00 0.00 55.95 56.24 2wg5 s SER 92 Cb -0.10 0.26 1.41 0.00 0.10 0.00 0.00 66.02 67.70 2wg5 s SER 92 CO 0.45 -0.69 1.99 0.06 0.98 0.00 0.00 173.24 176.03 2wg5 h GLN 93 N 2.95 0.00 0.00 4.02 3.07 -1.94 -2.91 115.11 120.30 2wg5 h GLN 93 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.39 2wg5 h GLN 93 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 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 -3.00 0.33 0.51 0.06 4.01 -1.26 -0.55 117.16 117.26 2wg5 n TYR 94 Ca 0.00 0.15 0.11 0.00 -0.16 0.00 0.00 57.90 58.00 2wg5 n TYR 94 Cb 0.28 -0.74 0.44 0.00 -0.31 0.00 0.00 39.34 39.00 2wg5 n TYR 94 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 2wg5 n ILE 95 N -1.82 0.78 0.00 -0.72 5.41 -1.08 -4.64 119.36 117.29 2wg5 n ILE 95 Ca 0.01 0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.91 2wg5 n ILE 95 Cb 0.11 -0.98 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 2wg5 n ILE 95 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2wg5 n ASN 96 N -1.96 0.00 -0.00 4.38 3.02 0.29 -2.34 115.26 118.65 2wg5 n ASN 96 Ca 0.03 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.62 2wg5 n ASN 96 Cb 0.25 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.37 2wg5 n ASN 96 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wg5 n GLU 97 N 0.00 3.20 -1.53 3.52 1.02 -1.26 -5.02 120.64 120.56 2wg5 n GLU 97 Ca 0.00 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 2wg5 n GLU 97 Cb 0.00 -0.96 0.01 0.00 -0.02 0.00 0.00 31.44 30.47 2wg5 n GLU 97 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2wg5 n GLU 98 N -1.36 0.94 -3.87 3.49 -0.58 -0.99 -4.97 120.64 113.30 2wg5 n GLU 98 Ca 0.01 0.34 -0.35 0.00 -0.42 0.00 0.00 57.16 56.73 2wg5 n GLU 98 Cb 0.15 -1.77 -0.05 0.00 -0.57 0.00 0.00 31.44 29.19 2wg5 n GLU 98 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2wg5 s GLU 99 N -1.82 3.47 -0.21 3.49 -1.05 -1.26 -5.03 118.70 116.30 2wg5 s GLU 99 Ca 0.64 -0.19 -0.12 0.00 -0.15 0.00 0.00 54.97 55.15 2wg5 s GLU 99 Cb -0.58 -3.14 -0.05 0.00 -0.44 0.00 0.00 34.13 29.92 2wg5 s GLU 99 CO 0.57 0.71 0.21 -0.51 0.95 0.00 0.00 175.26 177.19 2wg5 s LEU 100 N -1.52 4.17 0.06 1.83 1.43 -1.26 -5.03 118.68 118.36 2wg5 s LEU 100 Ca 0.22 0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2wg5 s LEU 100 Cb -0.13 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 2wg5 s LEU 100 CO 0.12 0.09 0.03 -1.59 0.23 0.00 0.00 176.35 175.23 2wg5 s LYS 101 N 0.77 0.68 0.16 1.70 -2.85 -1.26 -5.05 119.74 113.90 2wg5 s LYS 101 Ca 0.11 -1.16 -0.33 0.00 -1.00 0.00 0.00 55.97 53.59 2wg5 s LYS 101 Cb -0.13 0.25 -0.16 0.00 -2.06 0.00 0.00 37.83 35.73 2wg5 s LYS 101 CO 0.03 -0.16 1.07 -2.30 0.10 0.00 0.00 175.35 174.09 2wg5 n PRO 102 N 0.06 0.91 -0.08 1.78 -0.02 -1.26 -1.32 135.00 135.06 2wg5 n PRO 102 Ca -0.14 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2wg5 n PRO 102 Cb 0.61 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 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 1.91 0.90 3.76 -1.23 0.00 -0.14 -4.99 105.19 105.40 2wg5 n GLY 103 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.40 3.45 -0.13 4.61 0.00 -0.44 -4.72 121.76 122.13 2wg5 s ALA 104 Ca 0.00 1.06 -0.21 0.00 0.00 0.00 0.00 51.96 52.81 2wg5 s ALA 104 Cb 0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 2wg5 s ALA 104 CO 0.00 -0.39 0.63 0.50 0.00 0.00 0.00 175.76 176.50 2wg5 s ARG 105 N -1.43 4.33 0.16 0.00 3.52 -1.26 -0.36 118.95 123.90 2wg5 s ARG 105 Ca 0.47 0.68 0.07 0.00 -0.13 0.00 0.00 55.73 56.83 2wg5 s ARG 105 Cb -0.35 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 2wg5 s ARG 105 CO 0.45 -0.04 -0.15 0.14 -0.81 0.00 0.00 175.30 174.89 2wg5 s VAL 106 N 1.22 1.56 -0.11 7.11 -7.23 -0.34 0.67 120.40 123.28 2wg5 s VAL 106 Ca 0.31 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2wg5 s VAL 106 Cb -0.16 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 2wg5 s VAL 106 CO 0.13 -0.46 -0.11 0.00 -0.31 0.00 0.00 175.10 174.35 2wg5 s ALA 107 N -2.42 2.71 -0.03 1.32 0.00 -0.67 -1.54 121.76 121.12 2wg5 s ALA 107 Ca 0.15 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2wg5 s ALA 107 Cb -0.03 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 2wg5 s ALA 107 CO 0.05 0.32 -0.13 -0.51 0.00 0.00 0.00 175.76 175.49 2wg5 s LEU 108 N 0.07 2.81 0.22 0.00 1.43 0.14 -1.13 118.68 122.23 2wg5 s LEU 108 Ca -0.04 -0.21 -0.32 0.00 -1.03 0.00 0.00 54.13 52.53 2wg5 s LEU 108 Cb -0.14 -1.60 -0.12 0.00 0.03 0.00 0.00 46.19 44.36 2wg5 s LEU 108 CO 0.04 0.32 1.66 -3.20 0.23 0.00 0.00 176.35 175.40 2wg5 n ASN 109 N 2.06 3.77 -0.16 2.29 2.85 -0.50 -1.34 115.26 124.25 2wg5 n ASN 109 Ca -0.17 1.09 -0.01 0.00 -0.11 0.00 0.00 54.58 55.38 2wg5 n ASN 109 Cb 0.52 -1.55 0.22 0.00 1.24 0.00 0.00 39.78 40.21 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 6.02 0.88 0.07 1.20 4.15 -1.92 0.40 115.11 125.91 2wg5 h GLN 110 Ca -0.44 -0.12 -0.13 0.00 0.77 0.00 0.00 58.65 58.72 2wg5 h GLN 110 Cb 1.22 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 28.75 2wg5 h GLN 110 CO 0.90 0.70 -0.62 1.96 -1.93 0.00 0.00 178.83 179.83 2wg5 h GLN 111 N 0.87 0.16 0.00 1.69 1.08 -1.93 -3.39 115.11 113.59 2wg5 h GLN 111 Ca 0.21 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2wg5 h GLN 111 Cb 0.12 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2wg5 h GLN 111 CO -0.02 1.13 -1.15 0.25 -0.95 0.00 0.00 178.83 178.08 2wg5 n THR 112 N -4.31 0.10 -0.97 -0.54 -2.24 -1.19 -4.96 114.28 100.17 2wg5 n THR 112 Ca -0.15 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2wg5 n THR 112 Cb 0.69 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.88 0.95 -4.73 3.22 4.77 0.14 -4.81 117.00 114.66 2wg5 n LEU 113 Ca 0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 2wg5 n LEU 113 Cb 0.43 -2.33 -0.01 0.00 -2.33 0.00 0.00 43.42 39.17 2wg5 n LEU 113 CO 0.42 -0.92 1.12 0.00 -1.33 0.00 0.00 177.39 176.67 2wg5 n ALA 114 N 1.00 2.00 -2.09 -1.18 0.00 -1.26 -4.54 120.51 114.43 2wg5 n ALA 114 Ca 0.00 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 2wg5 n ALA 114 Cb 0.44 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 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 -0.42 3.63 -0.10 0.00 1.01 -0.33 -1.41 121.20 123.60 2wg5 s ILE 115 Ca 0.61 0.86 0.09 0.00 0.00 0.00 0.00 60.65 62.21 2wg5 s ILE 115 Cb -0.54 -3.56 -0.12 0.00 0.01 0.00 0.00 42.46 38.26 2wg5 s ILE 115 CO 0.54 -0.05 0.03 1.33 0.00 0.00 0.00 174.94 176.79 2wg5 n VAL 116 N 5.22 0.67 -3.98 2.92 0.24 -0.28 -2.09 118.33 121.04 2wg5 n VAL 116 Ca 0.16 -0.41 -0.08 0.00 -2.04 0.00 0.00 64.34 61.96 2wg5 n VAL 116 Cb 0.43 -0.74 -0.09 0.00 -1.47 0.00 0.00 33.84 31.96 2wg5 n VAL 116 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2wg5 s ASN 117 N -4.21 0.28 -0.18 -1.34 0.02 -1.14 -2.63 114.94 105.75 2wg5 s ASN 117 Ca -0.05 -0.71 -0.08 0.00 -1.02 0.00 0.00 52.86 51.00 2wg5 s ASN 117 Cb 0.03 0.23 -0.04 0.00 0.02 0.00 0.00 41.25 41.48 2wg5 s ASN 117 CO 0.40 -0.56 0.08 -0.69 0.02 0.00 0.00 177.10 176.34 2wg5 s VAL 118 N -3.19 4.93 0.14 1.60 1.01 -1.26 -1.67 120.40 121.96 2wg5 s VAL 118 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2wg5 s VAL 118 Cb 0.02 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2wg5 s VAL 118 CO -0.07 0.46 0.33 -0.76 0.00 0.00 0.00 175.10 175.06 2wg5 s LEU 119 N 0.30 4.28 0.00 3.92 1.43 0.21 -4.94 118.68 123.88 2wg5 s LEU 119 Ca 0.05 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 2wg5 s LEU 119 Cb -0.12 -3.13 0.32 0.00 0.03 0.00 0.00 46.19 43.29 2wg5 s LEU 119 CO -0.00 0.05 0.79 -0.81 0.23 0.00 0.00 176.35 176.60