#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfg s SER 2 N 0.00 -1.08 0.54 1.61 1.04 -1.26 -5.13 113.70 109.42 1wfg s SER 2 Ca 0.00 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1wfg s SER 2 Cb 0.00 1.68 0.00 0.00 0.10 0.00 0.00 66.02 67.80 1wfg s SER 2 CO 0.00 -0.13 0.00 -1.20 0.98 0.00 0.00 173.24 172.89 1wfg n SER 3 N 3.76 -8.11 -4.97 7.02 7.64 -1.26 -4.92 113.62 112.78 1wfg n SER 3 Ca 0.15 1.22 -0.21 0.00 1.01 0.00 0.00 58.87 61.03 1wfg n SER 3 Cb 0.55 -4.72 -0.01 0.00 -1.01 0.00 0.00 64.21 59.01 1wfg n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfg s GLY 4 N -7.20 1.33 0.52 0.23 0.00 -1.26 -5.10 107.32 95.84 1wfg s GLY 4 Ca 0.00 -1.21 -0.17 0.00 0.00 0.00 0.00 44.72 43.34 1wfg s GLY 4 CO 0.00 -1.19 0.99 -0.56 0.00 0.00 0.00 173.10 172.34 1wfg s SER 5 N -4.04 6.57 0.50 1.64 0.01 -1.26 -4.98 113.70 112.14 1wfg s SER 5 Ca 0.38 1.60 -0.19 0.00 1.31 0.00 0.00 55.95 59.05 1wfg s SER 5 Cb -0.09 -2.51 -0.13 0.00 0.21 0.00 0.00 66.02 63.50 1wfg s SER 5 CO 0.31 -0.62 0.20 -0.24 0.41 0.00 0.00 173.24 173.30 1wfg n SER 6 N -1.55 -2.34 0.00 2.44 2.88 -1.26 -4.90 113.62 108.88 1wfg n SER 6 Ca 0.07 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1wfg n SER 6 Cb 0.54 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1wfg n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfg n GLY 7 N 2.15 3.79 3.54 0.46 0.00 -1.26 -5.07 105.19 108.80 1wfg n GLY 7 Ca 0.10 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 1wfg n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wfg s HIS 8 N 0.00 2.97 0.00 1.61 0.00 -1.26 -4.87 115.29 113.74 1wfg s HIS 8 Ca 0.00 0.13 0.00 0.00 -3.00 0.00 0.00 55.06 52.19 1wfg s HIS 8 Cb 0.00 -3.72 0.00 0.00 -4.00 0.00 0.00 32.58 24.86 1wfg s HIS 8 CO 0.00 -1.03 0.00 0.43 -1.00 0.00 0.00 174.74 173.14 1wfg n SER 9 N 6.80 0.00 -0.04 7.38 7.64 -1.26 -5.08 113.62 129.07 1wfg n SER 9 Ca 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.89 1wfg n SER 9 Cb 0.48 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1wfg n SER 9 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1wfg h HIS 10 N 0.00 0.00 0.00 1.43 3.86 -2.05 -3.48 115.15 114.92 1wfg h HIS 10 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1wfg h HIS 10 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1wfg h HIS 10 CO 0.00 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.66 1wfg n SER 11 N -3.80 0.00 -3.41 2.45 3.41 -1.26 -5.09 113.62 105.92 1wfg n SER 11 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.33 1wfg n SER 11 Cb 0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.93 1wfg n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wfg n ASP 12 N 0.00 0.48 -3.48 4.04 8.00 -1.26 -4.99 116.55 119.33 1wfg n ASP 12 Ca 0.00 -2.65 -0.32 0.00 0.71 0.00 0.00 54.79 52.53 1wfg n ASP 12 Cb 0.00 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 40.44 1wfg n ASP 12 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1wfg n LYS 13 N 2.19 3.30 -1.61 -1.24 2.85 -1.26 -5.07 118.16 117.32 1wfg n LYS 13 Ca 0.26 -4.68 -0.37 0.00 -1.05 0.00 0.00 58.31 52.47 1wfg n LYS 13 Cb 0.47 -2.33 0.07 0.00 -0.65 0.00 0.00 35.03 32.59 1wfg n LYS 13 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1wfg n HIS 14 N 0.70 1.17 0.03 5.58 8.25 -1.26 -4.92 115.22 124.77 1wfg n HIS 14 Ca 0.30 0.42 -0.17 0.00 -0.26 0.00 0.00 57.72 58.02 1wfg n HIS 14 Cb 0.38 -2.17 -0.07 0.00 1.12 0.00 0.00 29.99 29.25 1wfg n HIS 14 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1wfg h PRO 15 N 0.33 0.64 -5.83 -0.41 0.13 -1.95 -3.44 132.00 121.46 1wfg h PRO 15 Ca -0.49 -0.62 -0.64 0.00 -0.87 0.00 0.00 66.00 63.38 1wfg h PRO 15 Cb 1.35 0.16 -0.05 0.00 0.13 0.00 0.00 31.00 32.59 1wfg h PRO 15 CO 0.51 1.23 -0.50 0.14 -0.23 0.00 0.00 178.00 179.15 1wfg s VAL 16 N -3.46 5.41 -0.19 1.56 -7.23 -1.26 -2.92 120.40 112.30 1wfg s VAL 16 Ca -0.09 -0.21 -0.08 0.00 -1.81 0.00 0.00 61.98 59.79 1wfg s VAL 16 Cb 0.08 -3.55 0.08 0.00 0.56 0.00 0.00 36.38 33.55 1wfg s VAL 16 CO 0.90 0.29 0.42 0.42 -0.31 0.00 0.00 175.10 176.82 1wfg s THR 17 N -1.36 -0.43 -0.36 5.32 -4.23 -0.58 -4.96 115.64 109.04 1wfg s THR 17 Ca 0.29 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.86 1wfg s THR 17 Cb -0.13 -0.65 0.04 0.00 1.34 0.00 0.00 72.50 73.10 1wfg s THR 17 CO 0.20 0.06 0.15 0.26 -0.54 0.00 0.00 174.62 174.75 1wfg s TRP 18 N 2.20 3.26 0.04 3.99 0.52 -1.26 0.44 118.94 128.13 1wfg s TRP 18 Ca -0.04 -1.29 0.03 0.00 0.02 0.00 0.00 56.10 54.81 1wfg s TRP 18 Cb -0.11 -2.38 -0.02 0.00 -1.15 0.00 0.00 33.47 29.81 1wfg s TRP 18 CO -0.13 -0.72 -0.09 -0.65 0.02 0.00 0.00 176.95 175.38 1wfg s GLN 19 N 1.45 0.60 0.71 4.98 1.11 0.14 -4.98 119.66 123.68 1wfg s GLN 19 Ca -0.00 -0.76 -0.11 0.00 0.01 0.00 0.00 55.36 54.50 1wfg s GLN 19 Cb -0.20 -0.45 0.02 0.00 -1.01 0.00 0.00 33.01 31.37 1wfg s GLN 19 CO 0.04 0.09 1.07 -1.25 0.01 0.00 0.00 175.29 175.25 1wfg s PRO 20 N -1.48 2.80 1.07 2.91 0.04 -1.26 0.15 135.00 139.22 1wfg s PRO 20 Ca -0.07 0.90 -0.18 0.00 0.04 0.00 0.00 61.00 61.70 1wfg s PRO 20 Cb -0.09 -1.98 0.25 0.00 0.04 0.00 0.00 34.50 32.71 1wfg s PRO 20 CO 0.01 -1.19 1.27 -1.54 0.04 0.00 0.00 177.00 175.59 1wfg s SER 21 N -3.81 2.18 0.19 6.66 1.04 -0.47 -4.65 113.70 114.83 1wfg s SER 21 Ca 0.58 0.30 -0.20 0.00 0.48 0.00 0.00 55.95 57.12 1wfg s SER 21 Cb -0.14 -0.34 0.13 0.00 0.10 0.00 0.00 66.02 65.77 1wfg s SER 21 CO 0.55 -3.32 1.59 0.11 0.98 0.00 0.00 173.24 173.15 1wfg h LYS 22 N -2.04 -0.15 0.30 4.02 1.57 -1.97 -2.68 116.57 115.62 1wfg h LYS 22 Ca -0.44 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1wfg h LYS 22 Cb 1.24 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1wfg h LYS 22 CO 0.33 -0.10 -0.14 0.22 -0.57 0.00 0.00 179.45 179.18 1wfg h ASP 23 N -0.15 -0.34 0.00 0.86 1.82 -1.93 -3.48 116.42 113.19 1wfg h ASP 23 Ca 0.24 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 1wfg h ASP 23 Cb 0.54 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1wfg h ASP 23 CO -0.65 -0.19 0.00 0.61 -1.61 0.00 0.00 179.24 177.40 1wfg n GLY 24 N -0.39 1.80 0.45 -0.78 0.00 -1.01 -4.95 105.19 100.31 1wfg n GLY 24 Ca -0.05 -0.22 0.27 0.00 0.00 0.00 0.00 46.02 46.02 1wfg n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wfg h ASP 25 N 2.00 0.00 -2.77 1.61 3.32 -1.94 -3.40 116.42 115.24 1wfg h ASP 25 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1wfg h ASP 25 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1wfg h ASP 25 CO 0.00 0.00 -0.52 -0.13 -1.72 0.00 0.00 179.24 176.87 1wfg s ARG 26 N -4.96 3.22 -0.21 3.56 1.81 -1.26 -0.58 118.95 120.53 1wfg s ARG 26 Ca -0.05 -0.64 0.02 0.00 -1.72 0.00 0.00 55.73 53.34 1wfg s ARG 26 Cb 0.21 -2.87 0.04 0.00 -0.45 0.00 0.00 34.95 31.88 1wfg s ARG 26 CO 0.76 0.54 -0.14 -1.17 -0.68 0.00 0.00 175.30 174.61 1wfg s LEU 27 N -2.90 2.63 -0.32 2.53 1.98 0.57 -1.37 118.68 121.80 1wfg s LEU 27 Ca 0.33 -0.99 -0.19 0.00 -2.89 0.00 0.00 54.13 50.40 1wfg s LEU 27 Cb -0.11 -1.42 -0.01 0.00 0.66 0.00 0.00 46.19 45.31 1wfg s LEU 27 CO 0.26 -0.11 0.55 -0.63 -1.89 0.00 0.00 176.35 174.52 1wfg s ILE 28 N 1.26 5.00 -0.10 6.68 -1.09 0.40 -0.24 121.20 133.10 1wfg s ILE 28 Ca -0.02 0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 58.99 1wfg s ILE 28 Cb -0.16 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.74 1wfg s ILE 28 CO -0.09 -0.13 -0.01 -0.83 -1.23 0.00 0.00 174.94 172.66 1wfg s GLY 29 N 1.69 1.82 -0.00 6.18 0.00 0.32 0.25 107.32 117.58 1wfg s GLY 29 Ca 0.21 -0.81 0.08 0.00 0.00 0.00 0.00 44.72 44.20 1wfg s GLY 29 CO 0.12 -0.46 -0.24 0.50 0.00 0.00 0.00 173.10 173.03 1wfg s ARG 30 N -0.60 2.08 -0.18 2.90 0.52 0.17 0.16 118.95 124.01 1wfg s ARG 30 Ca 0.10 -0.95 -0.05 0.00 -0.52 0.00 0.00 55.73 54.31 1wfg s ARG 30 Cb -0.12 -2.08 0.06 0.00 0.52 0.00 0.00 34.95 33.33 1wfg s ARG 30 CO 0.02 0.55 0.10 0.42 0.02 0.00 0.00 175.30 176.42 1wfg s ILE 31 N -0.71 -0.11 -0.32 1.52 1.09 -0.55 -1.53 121.20 120.61 1wfg s ILE 31 Ca 0.11 -0.18 -0.10 0.00 -1.10 0.00 0.00 60.65 59.39 1wfg s ILE 31 Cb -0.10 -0.59 -0.00 0.00 -1.06 0.00 0.00 42.46 40.70 1wfg s ILE 31 CO 0.01 -0.29 0.16 -0.22 -0.10 0.00 0.00 174.94 174.49 1wfg s LEU 32 N 2.15 4.17 -0.12 2.97 2.96 -1.15 0.17 118.68 129.84 1wfg s LEU 32 Ca 0.03 -0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 53.23 1wfg s LEU 32 Cb -0.16 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 1wfg s LEU 32 CO -0.10 -0.22 0.26 -0.76 -1.32 0.00 0.00 176.35 174.22 1wfg s LEU 33 N 1.60 4.33 -0.19 -0.68 2.01 0.21 -4.65 118.68 121.32 1wfg s LEU 33 Ca 0.04 0.58 -0.00 0.00 0.01 0.00 0.00 54.13 54.76 1wfg s LEU 33 Cb -0.17 -2.32 0.05 0.00 0.01 0.00 0.00 46.19 43.76 1wfg s LEU 33 CO 0.06 0.24 -0.05 0.21 1.01 0.00 0.00 176.35 177.82 1wfg s ASN 34 N -0.30 3.15 0.01 2.29 3.84 -1.26 -0.11 114.94 122.56 1wfg s ASN 34 Ca 0.17 -0.82 0.01 0.00 0.21 0.00 0.00 52.86 52.43 1wfg s ASN 34 Cb -0.13 -1.00 -0.26 0.00 -0.55 0.00 0.00 41.25 39.31 1wfg s ASN 34 CO 0.06 -0.20 0.89 0.11 -2.79 0.00 0.00 177.10 175.17 1wfg h LYS 35 N 8.07 0.17 -6.00 0.43 1.57 -1.01 -3.46 116.57 116.34 1wfg h LYS 35 Ca -0.23 -0.29 -0.77 0.00 -1.87 0.00 0.00 60.65 57.50 1wfg h LYS 35 Cb 1.10 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1wfg h LYS 35 CO 0.41 1.00 1.27 0.54 -0.57 0.00 0.00 179.45 182.10 1wfg n ARG 36 N -3.37 0.16 -0.62 3.15 1.74 -1.24 -4.48 116.66 111.99 1wfg n ARG 36 Ca -0.14 0.04 -0.28 0.00 -0.77 0.00 0.00 57.85 56.70 1wfg n ARG 36 Cb 1.03 -1.63 0.17 0.00 -1.02 0.00 0.00 32.46 31.00 1wfg n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wfg n LEU 37 N 7.43 -2.02 -0.24 0.55 4.77 -0.05 -4.56 117.00 122.89 1wfg n LEU 37 Ca 0.51 -0.23 0.04 0.00 -0.03 0.00 0.00 56.01 56.29 1wfg n LEU 37 Cb -0.01 -0.88 0.16 0.00 -2.33 0.00 0.00 43.42 40.36 1wfg n LEU 37 CO 0.87 -3.16 0.98 0.50 -1.33 0.00 0.00 177.39 175.24 1wfg h LYS 38 N -2.28 0.36 -0.95 3.23 3.64 -1.88 0.39 116.57 119.07 1wfg h LYS 38 Ca -0.45 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1wfg h LYS 38 Cb 1.20 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 1wfg h LYS 38 CO 0.31 0.24 0.61 -0.44 -2.27 0.00 0.00 179.45 177.89 1wfg h ASP 39 N 0.37 0.86 0.00 4.20 3.32 -2.00 -3.46 116.42 119.72 1wfg h ASP 39 Ca 0.38 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1wfg h ASP 39 Cb 0.57 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1wfg h ASP 39 CO -0.41 0.48 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 1wfg n GLY 40 N -1.38 0.85 3.36 2.75 0.00 0.14 -5.14 105.19 105.76 1wfg n GLY 40 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1wfg n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 41 N -0.68 -0.61 0.23 1.61 0.01 -1.24 -4.82 113.70 108.19 1wfg s SER 41 Ca 0.00 1.03 -0.31 0.00 1.31 0.00 0.00 55.95 57.99 1wfg s SER 41 Cb 0.00 0.92 -0.10 0.00 0.21 0.00 0.00 66.02 67.05 1wfg s SER 41 CO 0.00 -0.20 1.51 -0.69 0.41 0.00 0.00 173.24 174.27 1wfg s VAL 42 N 1.34 2.56 0.00 3.43 1.01 -1.26 -0.87 120.40 126.61 1wfg s VAL 42 Ca -0.09 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1wfg s VAL 42 Cb -0.07 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1wfg s VAL 42 CO -0.13 0.06 0.00 -0.81 0.00 0.00 0.00 175.10 174.22 1wfg n PRO 43 N 2.90 0.62 -0.41 2.72 -0.04 -1.26 -4.80 135.00 134.72 1wfg n PRO 43 Ca 0.09 0.00 0.37 0.00 -0.04 0.00 0.00 63.50 63.92 1wfg n PRO 43 Cb 0.39 0.00 0.63 0.00 -0.04 0.00 0.00 33.50 34.48 1wfg n PRO 43 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wfg n ARG 44 N -0.32 -0.04 0.00 0.54 3.00 -1.26 -4.48 116.66 114.10 1wfg n ARG 44 Ca 0.00 1.23 0.00 0.00 -0.01 0.00 0.00 57.85 59.07 1wfg n ARG 44 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 32.46 30.09 1wfg n ARG 44 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1wfg n ASP 45 N -4.77 0.00 -1.34 0.55 5.75 -1.26 -5.02 116.55 110.46 1wfg n ASP 45 Ca 0.38 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 55.07 1wfg n ASP 45 Cb 1.43 0.11 0.01 0.00 -1.03 0.00 0.00 41.12 41.64 1wfg n ASP 45 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1wfg n SER 46 N -1.76 -3.39 -2.71 -1.12 2.88 -1.26 -4.30 113.62 101.95 1wfg n SER 46 Ca 0.00 -0.10 -0.01 0.00 -1.33 0.00 0.00 58.87 57.43 1wfg n SER 46 Cb 0.00 -2.36 -0.01 0.00 -0.75 0.00 0.00 64.21 61.09 1wfg n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfg n GLY 47 N -1.06 -4.39 0.36 0.46 0.00 -1.26 -4.55 105.19 94.75 1wfg n GLY 47 Ca -0.06 0.64 0.18 0.00 0.00 0.00 0.00 46.02 46.78 1wfg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg h ALA 48 N 3.22 2.11 -0.18 4.61 0.00 -1.77 0.93 119.26 128.18 1wfg h ALA 48 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wfg h ALA 48 Cb 0.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wfg h ALA 48 CO 0.09 -0.48 0.00 -1.33 0.00 0.00 0.00 179.25 177.53 1wfg n MET 49 N -4.00 1.58 0.00 0.00 2.81 -1.26 -4.67 117.12 111.58 1wfg n MET 49 Ca 0.05 -0.73 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 1wfg n MET 49 Cb 0.47 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 1wfg n MET 49 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1wfg n LEU 50 N 0.09 0.00 0.00 4.03 7.99 0.32 -2.87 117.00 126.56 1wfg n LEU 50 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 1wfg n LEU 50 Cb 0.24 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.55 1wfg n LEU 50 CO 0.05 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.54 1wfg n GLY 51 N 0.00 0.31 4.00 -0.72 0.00 -1.26 -3.49 105.19 104.03 1wfg n GLY 51 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1wfg n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wfg s LEU 52 N 0.00 3.52 -0.18 0.99 0.05 -1.14 -2.98 118.68 118.94 1wfg s LEU 52 Ca 0.00 -0.27 0.01 0.00 0.05 0.00 0.00 54.13 53.92 1wfg s LEU 52 Cb 0.00 -2.74 0.02 0.00 -2.05 0.00 0.00 46.19 41.42 1wfg s LEU 52 CO 0.00 -0.90 -0.20 -0.75 -0.55 0.00 0.00 176.35 173.95 1wfg s LYS 53 N -4.50 2.95 -0.11 1.48 2.20 0.23 -4.89 119.74 117.09 1wfg s LYS 53 Ca 0.56 -0.83 -0.05 0.00 -0.36 0.00 0.00 55.97 55.29 1wfg s LYS 53 Cb -0.10 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 1wfg s LYS 53 CO 0.35 -0.22 0.09 0.08 -0.36 0.00 0.00 175.35 175.29 1wfg s VAL 54 N 1.29 5.05 -0.23 4.02 1.01 -1.26 -0.70 120.40 129.59 1wfg s VAL 54 Ca 0.05 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1wfg s VAL 54 Cb -0.13 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 33.12 1wfg s VAL 54 CO -0.13 0.60 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 1wfg s VAL 55 N -0.89 1.84 0.28 2.92 1.01 -1.06 -4.96 120.40 119.54 1wfg s VAL 55 Ca 0.14 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 60.88 1wfg s VAL 55 Cb -0.12 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.37 1wfg s VAL 55 CO 0.03 0.07 0.39 0.61 0.00 0.00 0.00 175.10 176.20 1wfg n GLY 56 N 4.59 1.58 2.84 4.51 0.00 -1.26 -2.10 105.19 115.34 1wfg n GLY 56 Ca -0.14 -2.12 -0.06 0.00 0.00 0.00 0.00 46.02 43.70 1wfg n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfg n GLY 57 N 1.73 0.60 3.70 -0.02 0.00 -1.23 -4.13 105.19 105.83 1wfg n GLY 57 Ca 0.07 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1wfg n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wfg s LYS 58 N -2.43 4.28 -0.55 1.61 2.47 -1.25 -4.60 119.74 119.27 1wfg s LYS 58 Ca 0.00 2.09 -0.22 0.00 -1.56 0.00 0.00 55.97 56.28 1wfg s LYS 58 Cb 0.00 -3.43 0.05 0.00 -1.46 0.00 0.00 37.83 32.99 1wfg s LYS 58 CO 0.00 -0.55 0.80 1.41 0.16 0.00 0.00 175.35 177.17 1wfg s MET 59 N 1.87 3.21 0.00 4.03 1.75 -1.26 -3.28 119.30 125.62 1wfg s MET 59 Ca 0.66 -0.64 0.00 0.00 -1.25 0.00 0.00 55.69 54.46 1wfg s MET 59 Cb -0.35 -4.10 0.00 0.00 2.84 0.00 0.00 34.83 33.21 1wfg s MET 59 CO 0.29 -1.42 0.00 0.25 -0.65 0.00 0.00 175.02 173.49 1wfg n THR 60 N 5.89 0.00 1.20 10.11 -2.24 -0.66 -4.92 114.28 123.66 1wfg n THR 60 Ca -0.03 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1wfg n THR 60 Cb 0.46 -1.07 0.27 0.00 -2.10 0.00 0.00 70.33 67.89 1wfg n THR 60 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wfg n GLU 61 N -0.17 1.40 -0.16 -0.78 0.28 -1.26 -3.73 120.64 116.23 1wfg n GLU 61 Ca 0.00 -0.99 0.06 0.00 -0.16 0.00 0.00 57.16 56.07 1wfg n GLU 61 Cb 0.00 -1.48 0.15 0.00 1.43 0.00 0.00 31.44 31.54 1wfg n GLU 61 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1wfg n SER 62 N 0.07 2.84 -0.04 -1.84 7.64 -1.26 -4.94 113.62 116.09 1wfg n SER 62 Ca 0.13 -1.91 -0.01 0.00 1.01 0.00 0.00 58.87 58.10 1wfg n SER 62 Cb 0.43 -0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1wfg n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfg n GLY 63 N 0.64 0.38 3.90 0.23 0.00 -1.24 -5.00 105.19 104.09 1wfg n GLY 63 Ca 0.12 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1wfg n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfg s ARG 64 N -0.81 3.64 -0.08 1.61 0.52 -1.26 -4.84 118.95 117.73 1wfg s ARG 64 Ca 0.00 0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.27 1wfg s ARG 64 Cb 0.00 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.83 1wfg s ARG 64 CO 0.00 0.18 -0.10 -0.51 0.02 0.00 0.00 175.30 174.88 1wfg s LEU 65 N -3.63 2.95 -0.13 2.53 1.43 -1.26 -1.66 118.68 118.91 1wfg s LEU 65 Ca 0.45 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.10 1wfg s LEU 65 Cb -0.11 -1.64 0.08 0.00 0.03 0.00 0.00 46.19 44.56 1wfg s LEU 65 CO 0.31 0.30 0.76 0.00 0.23 0.00 0.00 176.35 177.95 1wfg s ALA 67 N -0.76 3.39 0.00 0.00 0.00 -1.26 -3.85 121.76 119.28 1wfg s ALA 67 Ca -0.06 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.07 1wfg s ALA 67 Cb -0.01 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 1wfg s ALA 67 CO 0.06 -0.00 -0.18 -0.06 0.00 0.00 0.00 175.76 175.58 1wfg s PHE 68 N 0.41 1.58 0.21 0.00 0.08 -0.89 -1.23 117.98 118.13 1wfg s PHE 68 Ca 0.35 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.77 1wfg s PHE 68 Cb -0.18 -1.00 -0.11 0.00 -0.57 0.00 0.00 43.02 41.16 1wfg s PHE 68 CO 0.18 -0.00 1.64 0.42 -0.10 0.00 0.00 175.22 177.36 1wfg s ILE 69 N -0.52 2.27 -0.23 0.64 1.01 -1.10 -2.55 121.20 120.73 1wfg s ILE 69 Ca 0.06 0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 1wfg s ILE 69 Cb -0.07 -3.13 -0.11 0.00 0.01 0.00 0.00 42.46 39.16 1wfg s ILE 69 CO -0.00 0.02 -0.27 0.35 0.00 0.00 0.00 174.94 175.04 1wfg n THR 70 N 3.66 1.26 -3.75 2.92 -2.24 0.12 -1.61 114.28 114.63 1wfg n THR 70 Ca 0.14 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 1wfg n THR 70 Cb 0.37 -1.68 -0.09 0.00 -2.10 0.00 0.00 70.33 66.83 1wfg n THR 70 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wfg s LYS 71 N -2.42 0.57 -0.20 -0.78 2.20 -1.22 -4.70 119.74 113.19 1wfg s LYS 71 Ca -0.31 0.11 -0.04 0.00 -0.36 0.00 0.00 55.97 55.36 1wfg s LYS 71 Cb 0.11 0.26 0.07 0.00 -1.51 0.00 0.00 37.83 36.76 1wfg s LYS 71 CO 0.43 -0.13 0.09 0.54 -0.36 0.00 0.00 175.35 175.92 1wfg s VAL 72 N -0.68 0.03 0.47 4.02 0.11 -1.26 0.76 120.40 123.85 1wfg s VAL 72 Ca -0.08 -0.38 -0.23 0.00 -2.93 0.00 0.00 61.98 58.36 1wfg s VAL 72 Cb -0.04 -0.76 -0.09 0.00 -1.53 0.00 0.00 36.38 33.97 1wfg s VAL 72 CO 0.03 -0.38 1.02 1.17 -3.33 0.00 0.00 175.10 173.61 1wfg n LYS 73 N 5.23 1.30 -3.00 1.54 3.00 -1.16 -4.90 118.16 120.17 1wfg n LYS 73 Ca -0.07 0.47 -0.43 0.00 -0.00 0.00 0.00 58.31 58.28 1wfg n LYS 73 Cb 0.47 -2.11 -0.05 0.00 0.00 0.00 0.00 35.03 33.33 1wfg n LYS 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1wfg s LYS 74 N -2.23 3.27 0.00 1.64 2.47 -1.26 -3.63 119.74 120.00 1wfg s LYS 74 Ca 0.66 -0.45 0.00 0.00 -1.56 0.00 0.00 55.97 54.62 1wfg s LYS 74 Cb -0.51 -4.03 0.00 0.00 -1.46 0.00 0.00 37.83 31.83 1wfg s LYS 74 CO 0.54 -1.27 0.00 0.41 0.16 0.00 0.00 175.35 175.20 1wfg n GLY 75 N 5.10 1.80 3.65 5.54 0.00 -1.26 -5.07 105.19 114.96 1wfg n GLY 75 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1wfg n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfg s SER 76 N -2.00 4.14 0.13 1.61 1.04 -1.24 -4.82 113.70 112.56 1wfg s SER 76 Ca 0.00 -1.12 -0.28 0.00 0.48 0.00 0.00 55.95 55.03 1wfg s SER 76 Cb 0.00 -0.47 -0.08 0.00 0.10 0.00 0.00 66.02 65.57 1wfg s SER 76 CO 0.00 -0.37 1.48 -0.07 0.98 0.00 0.00 173.24 175.26 1wfg h LEU 77 N 1.72 -1.81 -5.13 2.42 -0.00 -1.91 1.64 115.31 112.24 1wfg h LEU 77 Ca -0.43 0.26 -0.44 0.00 -0.00 0.00 0.00 57.88 57.27 1wfg h LEU 77 Cb 1.25 0.78 0.01 0.00 -0.00 0.00 0.00 40.66 42.70 1wfg h LEU 77 CO 0.71 -0.26 2.65 0.00 -0.00 0.00 0.00 178.44 181.54 1wfg n ALA 78 N -3.15 5.70 0.00 1.53 0.00 -1.26 -0.40 120.51 122.93 1wfg n ALA 78 Ca -0.00 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.03 1wfg n ALA 78 Cb 0.26 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 16.68 1wfg n ALA 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wfg n ASP 79 N 3.78 0.00 0.09 0.00 2.03 0.05 -4.03 116.55 118.47 1wfg n ASP 79 Ca 0.54 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.72 1wfg n ASP 79 Cb 0.24 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.50 1wfg n ASP 79 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1wfg h THR 80 N 0.00 1.51 0.00 5.18 1.35 0.25 -2.57 112.91 118.63 1wfg h THR 80 Ca 0.00 -3.12 -0.08 0.00 -0.55 0.00 0.00 66.41 62.66 1wfg h THR 80 Cb 0.00 2.90 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 1wfg h THR 80 CO 0.00 0.90 -1.30 1.33 -0.25 0.00 0.00 175.52 176.20 1wfg n VAL 81 N -3.47 0.30 0.12 6.82 0.24 -0.46 -4.66 118.33 117.23 1wfg n VAL 81 Ca -0.07 -0.12 0.02 0.00 -2.04 0.00 0.00 64.34 62.13 1wfg n VAL 81 Cb 1.01 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 1wfg n VAL 81 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1wfg h GLY 82 N 0.42 0.00 -7.18 7.63 0.00 -0.94 -3.44 103.07 99.56 1wfg h GLY 82 Ca -0.12 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.59 1wfg h GLY 82 CO -0.02 0.00 -0.91 1.42 0.00 0.00 0.00 176.54 177.03 1wfg n HIS 83 N -3.18 -1.19 -0.83 5.60 -0.00 -0.97 -4.66 115.22 109.98 1wfg n HIS 83 Ca 0.00 0.69 -0.05 0.00 -0.00 0.00 0.00 57.72 58.37 1wfg n HIS 83 Cb 0.76 -1.94 0.04 0.00 -0.00 0.00 0.00 29.99 28.84 1wfg n HIS 83 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1wfg n LEU 84 N -4.09 0.00 -3.62 2.41 4.77 -1.26 -4.88 117.00 110.33 1wfg n LEU 84 Ca 0.10 -0.22 -0.16 0.00 -0.03 0.00 0.00 56.01 55.70 1wfg n LEU 84 Cb 0.46 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1wfg n LEU 84 CO 0.96 -0.98 0.29 -0.13 -1.33 0.00 0.00 177.39 176.21 1wfg s ARG 85 N -3.46 0.87 -0.64 3.23 0.52 -1.26 -4.83 118.95 113.38 1wfg s ARG 85 Ca 0.13 0.27 -0.27 0.00 -0.52 0.00 0.00 55.73 55.33 1wfg s ARG 85 Cb -0.01 0.41 0.01 0.00 0.52 0.00 0.00 34.95 35.88 1wfg s ARG 85 CO 0.09 -0.24 1.54 -1.25 0.02 0.00 0.00 175.30 175.47 1wfg s PRO 86 N -0.89 3.01 0.00 3.54 0.04 -1.26 -2.83 135.00 136.61 1wfg s PRO 86 Ca -0.09 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1wfg s PRO 86 Cb -0.02 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1wfg s PRO 86 CO 0.06 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 175.20 1wfg n GLY 87 N 5.47 0.53 0.67 0.56 0.00 -0.63 -4.90 105.19 106.89 1wfg n GLY 87 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 1wfg n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wfg n ASP 88 N 0.00 -1.43 -3.68 1.61 8.00 -1.13 -4.76 116.55 115.16 1wfg n ASP 88 Ca 0.00 -0.55 -0.27 0.00 0.71 0.00 0.00 54.79 54.68 1wfg n ASP 88 Cb 0.00 -0.20 -0.16 0.00 -0.02 0.00 0.00 41.12 40.74 1wfg n ASP 88 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wfg s GLU 89 N -3.47 0.42 -0.72 -1.24 2.12 -1.26 -2.69 118.70 111.86 1wfg s GLU 89 Ca 0.14 -0.36 -0.27 0.00 0.36 0.00 0.00 54.97 54.84 1wfg s GLU 89 Cb -0.02 -1.93 0.02 0.00 0.26 0.00 0.00 34.13 32.46 1wfg s GLU 89 CO 0.11 -0.70 1.40 0.54 -0.54 0.00 0.00 175.26 176.07 1wfg s VAL 90 N 1.96 3.64 0.04 3.70 0.11 -0.37 -2.35 120.40 127.13 1wfg s VAL 90 Ca 0.01 0.35 -0.32 0.00 -2.93 0.00 0.00 61.98 59.10 1wfg s VAL 90 Cb -0.17 -4.71 -0.18 0.00 -1.53 0.00 0.00 36.38 29.79 1wfg s VAL 90 CO -0.12 -1.66 1.33 -0.07 -3.33 0.00 0.00 175.10 171.26 1wfg h LEU 91 N 13.75 -0.95 -9.69 2.54 -0.00 0.41 -3.38 115.31 118.00 1wfg h LEU 91 Ca -0.27 0.03 -0.60 0.00 -0.00 0.00 0.00 57.88 57.04 1wfg h LEU 91 Cb 1.07 0.24 -0.11 0.00 -0.00 0.00 0.00 40.66 41.87 1wfg h LEU 91 CO 1.27 -0.60 -0.58 -1.61 -0.00 0.00 0.00 178.44 176.92 1wfg s GLU 92 N -5.31 2.05 -0.35 1.13 2.02 -0.28 0.67 118.70 118.64 1wfg s GLU 92 Ca -0.17 -1.91 0.02 0.00 0.02 0.00 0.00 54.97 52.93 1wfg s GLU 92 Cb 0.02 -1.83 0.15 0.00 0.10 0.00 0.00 34.13 32.57 1wfg s GLU 92 CO 0.51 0.00 0.35 -0.46 0.02 0.00 0.00 175.26 175.69 1wfg s TRP 93 N -2.61 -0.33 -0.19 1.61 -0.11 0.66 -1.90 118.94 116.06 1wfg s TRP 93 Ca 0.36 -0.65 0.00 0.00 1.22 0.00 0.00 56.10 57.04 1wfg s TRP 93 Cb 0.05 -0.43 0.00 0.00 -1.50 0.00 0.00 33.47 31.58 1wfg s TRP 93 CO 0.20 -0.95 0.00 -1.71 -4.62 0.00 0.00 176.95 169.86 1wfg n ASN 94 N 4.55 -3.26 0.00 5.86 5.15 0.57 -2.70 115.26 125.43 1wfg n ASN 94 Ca 0.07 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1wfg n ASN 94 Cb 0.45 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.78 1wfg n ASN 94 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wfg n GLY 95 N -2.71 0.42 3.53 8.20 0.00 -1.24 -4.82 105.19 108.56 1wfg n GLY 95 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1wfg n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfg s ARG 96 N -0.92 3.42 0.22 1.61 1.81 -1.10 -5.04 118.95 118.96 1wfg s ARG 96 Ca 0.00 -0.46 -0.30 0.00 -1.72 0.00 0.00 55.73 53.24 1wfg s ARG 96 Cb 0.00 -3.86 -0.10 0.00 -0.45 0.00 0.00 34.95 30.54 1wfg s ARG 96 CO 0.00 -0.67 1.47 -1.17 -0.68 0.00 0.00 175.30 174.25 1wfg s LEU 97 N 2.17 4.38 -0.04 2.53 2.96 -1.26 -0.25 118.68 129.17 1wfg s LEU 97 Ca 0.14 2.64 0.20 0.00 -0.22 0.00 0.00 54.13 56.89 1wfg s LEU 97 Cb -0.16 -3.61 -0.26 0.00 0.50 0.00 0.00 46.19 42.65 1wfg s LEU 97 CO 0.13 -0.74 0.46 0.18 -1.32 0.00 0.00 176.35 175.06 1wfg n LEU 98 N 2.84 0.18 -4.63 -0.68 4.77 0.21 -4.69 117.00 115.01 1wfg n LEU 98 Ca 0.09 0.07 -0.44 0.00 -0.03 0.00 0.00 56.01 55.70 1wfg n LEU 98 Cb 0.40 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1wfg n LEU 98 CO 0.61 0.13 1.69 0.00 -1.33 0.00 0.00 177.39 178.49 1wfg n GLN 99 N -2.50 2.32 0.00 3.23 6.02 -1.23 -0.39 117.38 124.82 1wfg n GLN 99 Ca -0.12 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 1wfg n GLN 99 Cb 0.76 -3.00 0.00 0.00 1.02 0.00 0.00 30.24 29.01 1wfg n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wfg n GLY 100 N 5.10 3.06 3.76 1.08 0.00 0.23 -4.99 105.19 113.43 1wfg n GLY 100 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 1wfg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg s ALA 101 N -2.72 2.87 0.72 4.61 0.00 0.47 -4.78 121.76 122.93 1wfg s ALA 101 Ca 0.00 1.18 -0.07 0.00 0.00 0.00 0.00 51.96 53.08 1wfg s ALA 101 Cb 0.00 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.69 1wfg s ALA 101 CO 0.00 -1.11 1.03 0.95 0.00 0.00 0.00 175.76 176.62 1wfg s THR 102 N -1.39 2.26 0.24 0.00 -4.23 -1.26 -3.55 115.64 107.71 1wfg s THR 102 Ca 0.69 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.86 1wfg s THR 102 Cb -0.36 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 70.74 1wfg s THR 102 CO 0.43 0.00 1.68 0.15 -0.54 0.00 0.00 174.62 176.34 1wfg h PHE 103 N -0.64 0.22 0.38 3.99 3.57 -1.81 0.23 116.94 122.88 1wfg h PHE 103 Ca -0.44 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1wfg h PHE 103 Cb 1.31 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1wfg h PHE 103 CO 0.23 -0.11 -0.18 0.93 -2.23 0.00 0.00 178.31 176.95 1wfg h GLU 104 N 0.24 -0.50 -0.25 1.11 5.08 -1.93 -1.18 114.58 117.15 1wfg h GLU 104 Ca 0.41 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.85 1wfg h GLU 104 Cb 0.71 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 1wfg h GLU 104 CO -0.53 -0.21 -0.48 0.93 -1.00 0.00 0.00 179.01 177.71 1wfg h GLU 105 N -0.74 -0.44 -0.57 2.33 5.08 -1.67 1.49 114.58 120.05 1wfg h GLU 105 Ca -0.05 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 1wfg h GLU 105 Cb 0.51 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.77 1wfg h GLU 105 CO 0.09 -0.30 0.02 0.28 -1.00 0.00 0.00 179.01 178.10 1wfg h VAL 106 N -0.46 0.56 0.47 3.13 2.07 -0.61 -0.27 116.25 121.13 1wfg h VAL 106 Ca 0.08 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1wfg h VAL 106 Cb 0.63 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1wfg h VAL 106 CO -0.49 0.03 -0.22 0.22 0.02 0.00 0.00 177.57 177.12 1wfg h TYR 107 N 0.14 -0.58 -0.83 1.57 5.03 0.28 -2.85 116.97 119.73 1wfg h TYR 107 Ca 0.30 -0.01 0.18 0.00 2.58 0.00 0.00 58.73 61.77 1wfg h TYR 107 Cb 0.47 0.19 -0.16 0.00 1.55 0.00 0.00 36.73 38.78 1wfg h TYR 107 CO -0.33 -0.32 -0.15 -0.91 -1.32 0.00 0.00 178.16 175.13 1wfg h ASN 108 N -0.70 -0.67 0.00 -2.11 2.35 0.28 -0.05 115.58 114.68 1wfg h ASN 108 Ca -0.06 0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1wfg h ASN 108 Cb 0.52 0.48 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1wfg h ASN 108 CO 0.11 -0.27 0.00 -0.38 -1.65 0.00 0.00 177.43 175.24 1wfg n ILE 109 N -5.50 0.00 -0.57 2.81 5.41 -0.19 0.12 119.36 121.44 1wfg n ILE 109 Ca 0.13 1.29 0.46 0.00 1.00 0.00 0.00 62.75 65.63 1wfg n ILE 109 Cb 0.46 -1.96 0.74 0.00 -0.71 0.00 0.00 39.64 38.17 1wfg n ILE 109 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1wfg h ILE 110 N 0.00 0.03 0.44 1.39 2.04 -1.17 1.01 117.51 121.25 1wfg h ILE 110 Ca 0.00 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1wfg h ILE 110 Cb 0.00 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1wfg h ILE 110 CO 0.00 0.00 -0.21 0.25 0.00 0.00 0.00 178.15 178.19 1wfg h LEU 111 N 0.01 -0.50 -1.85 1.44 6.46 0.14 1.65 115.31 122.67 1wfg h LEU 111 Ca 0.89 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 58.56 1wfg h LEU 111 Cb 3.21 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 43.27 1wfg h LEU 111 CO -0.25 -0.10 0.09 -0.33 -0.62 0.00 0.00 178.44 177.23 1wfg h GLU 112 N -1.00 0.00 0.00 1.25 5.08 0.87 0.24 114.58 121.02 1wfg h GLU 112 Ca -0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1wfg h GLU 112 Cb 0.56 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1wfg h GLU 112 CO 0.10 0.00 -0.38 -1.13 -1.00 0.00 0.00 179.01 176.60 1wfg n SER 113 N -2.53 1.63 0.02 1.42 3.41 0.73 -4.73 113.62 113.57 1wfg n SER 113 Ca -0.02 -3.09 -0.10 0.00 -0.26 0.00 0.00 58.87 55.40 1wfg n SER 113 Cb 0.13 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 1wfg n SER 113 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1wfg h LYS 114 N 0.48 -0.15 0.00 4.33 1.57 0.60 -3.23 116.57 120.16 1wfg h LYS 114 Ca -0.03 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1wfg h LYS 114 Cb 1.17 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1wfg h LYS 114 CO 0.01 0.32 0.00 -0.35 -0.57 0.00 0.00 179.45 178.86 1wfg n PRO 115 N -4.86 0.09 -1.37 3.15 -0.04 -1.26 -4.40 135.00 126.31 1wfg n PRO 115 Ca -0.07 0.20 -0.38 0.00 -0.04 0.00 0.00 63.50 63.21 1wfg n PRO 115 Cb 0.27 -1.64 0.03 0.00 -0.04 0.00 0.00 33.50 32.12 1wfg n PRO 115 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wfg n GLU 116 N -1.81 0.29 0.08 0.54 -0.58 -1.22 -4.88 120.64 113.06 1wfg n GLU 116 Ca 0.05 0.12 -0.09 0.00 -0.42 0.00 0.00 57.16 56.81 1wfg n GLU 116 Cb 0.29 -1.42 0.01 0.00 -0.57 0.00 0.00 31.44 29.75 1wfg n GLU 116 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1wfg h PRO 117 N 0.10 0.26 -4.56 3.49 0.13 -1.89 -3.47 132.00 126.06 1wfg h PRO 117 Ca -0.44 -0.26 -0.23 0.00 -0.87 0.00 0.00 66.00 64.21 1wfg h PRO 117 Cb 1.42 0.07 -0.15 0.00 0.13 0.00 0.00 31.00 32.46 1wfg h PRO 117 CO 0.44 0.95 -0.65 1.14 -0.23 0.00 0.00 178.00 179.65 1wfg s GLN 118 N -3.37 1.03 -0.15 0.86 -2.07 -1.26 -0.32 119.66 114.39 1wfg s GLN 118 Ca -0.04 -1.50 -0.05 0.00 -1.82 0.00 0.00 55.36 51.95 1wfg s GLN 118 Cb 0.10 0.09 0.07 0.00 -1.09 0.00 0.00 33.01 32.18 1wfg s GLN 118 CO 0.83 -0.25 0.28 0.08 -1.32 0.00 0.00 175.29 174.91 1wfg s VAL 119 N -3.95 -0.44 -0.51 3.63 1.01 0.84 -4.94 120.40 116.04 1wfg s VAL 119 Ca 0.27 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.31 1wfg s VAL 119 Cb 0.07 -0.50 0.10 0.00 0.00 0.00 0.00 36.38 36.05 1wfg s VAL 119 CO 0.04 0.08 0.49 -0.70 0.00 0.00 0.00 175.10 175.01 1wfg s GLU 120 N 2.44 3.00 0.50 2.72 2.12 -1.26 0.66 118.70 128.88 1wfg s GLU 120 Ca 0.02 -1.45 -0.05 0.00 0.36 0.00 0.00 54.97 53.85 1wfg s GLU 120 Cb -0.12 -4.21 -0.02 0.00 0.26 0.00 0.00 34.13 30.03 1wfg s GLU 120 CO -0.09 -1.22 0.80 -0.51 -0.54 0.00 0.00 175.26 173.70 1wfg s LEU 121 N 1.81 3.54 -0.23 2.70 1.02 0.45 0.21 118.68 128.19 1wfg s LEU 121 Ca 0.05 0.80 -0.03 0.00 0.02 0.00 0.00 54.13 54.97 1wfg s LEU 121 Cb -0.26 -3.71 0.11 0.00 0.02 0.00 0.00 46.19 42.35 1wfg s LEU 121 CO 0.06 -0.71 0.30 -0.69 0.02 0.00 0.00 176.35 175.32 1wfg s VAL 122 N -2.78 -0.46 0.28 -1.59 1.01 -0.80 -1.47 120.40 114.59 1wfg s VAL 122 Ca 0.49 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.44 1wfg s VAL 122 Cb -0.10 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1wfg s VAL 122 CO 0.44 -0.18 0.20 0.54 0.00 0.00 0.00 175.10 176.10 1wfg s VAL 123 N 2.43 4.03 -0.11 2.92 0.11 0.42 0.29 120.40 130.49 1wfg s VAL 123 Ca 0.10 -1.46 -0.04 0.00 -2.93 0.00 0.00 61.98 57.64 1wfg s VAL 123 Cb -0.16 -3.27 0.06 0.00 -1.53 0.00 0.00 36.38 31.48 1wfg s VAL 123 CO -0.15 -0.30 0.21 -0.44 -3.33 0.00 0.00 175.10 171.10 1wfg s SER 124 N -3.87 0.56 0.21 3.54 0.01 -0.99 0.12 113.70 113.28 1wfg s SER 124 Ca 0.35 0.46 0.08 0.00 1.31 0.00 0.00 55.95 58.15 1wfg s SER 124 Cb -0.07 0.49 -0.05 0.00 0.21 0.00 0.00 66.02 66.61 1wfg s SER 124 CO 0.25 -0.24 -0.15 0.00 0.41 0.00 0.00 173.24 173.50 1wfg s ARG 125 N 2.36 1.35 -0.28 12.44 1.70 0.66 -4.60 118.95 132.58 1wfg s ARG 125 Ca 0.02 -1.58 -0.20 0.00 -0.47 0.00 0.00 55.73 53.50 1wfg s ARG 125 Cb -0.12 -1.20 -0.01 0.00 -0.57 0.00 0.00 34.95 33.05 1wfg s ARG 125 CO -0.07 0.21 0.64 0.45 -1.08 0.00 0.00 175.30 175.44 1wfg s SER 126 N -3.24 6.54 0.00 -2.89 0.15 -1.26 0.21 113.70 113.22 1wfg s SER 126 Ca 0.22 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1wfg s SER 126 Cb -0.02 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1wfg s SER 126 CO 0.07 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1wfg n GLY 127 N 4.28 -1.69 3.78 9.45 0.00 0.26 -4.91 105.19 116.36 1wfg n GLY 127 Ca -0.01 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 1wfg n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfg s PRO 128 N -3.46 0.68 -0.13 1.61 0.04 -1.26 -4.55 135.00 127.93 1wfg s PRO 128 Ca 0.00 0.12 -0.29 0.00 0.04 0.00 0.00 61.00 60.87 1wfg s PRO 128 Cb 0.00 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 1wfg s PRO 128 CO 0.00 -2.47 2.07 -1.54 0.04 0.00 0.00 177.00 175.10 1wfg s SER 129 N -4.15 5.89 0.50 6.66 1.04 -1.26 -4.79 113.70 117.59 1wfg s SER 129 Ca 0.67 2.14 0.41 0.00 0.48 0.00 0.00 55.95 59.64 1wfg s SER 129 Cb -0.12 -2.52 1.60 0.00 0.10 0.00 0.00 66.02 65.08 1wfg s SER 129 CO 0.54 -1.57 1.60 0.77 0.98 0.00 0.00 173.24 175.56 1wfg h SER 130 N 13.07 0.10 0.00 7.02 4.64 -1.98 -3.56 113.55 132.83 1wfg h SER 130 Ca -0.43 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1wfg h SER 130 Cb 1.23 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1wfg h SER 130 CO 0.96 -0.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.43