#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfg n SER 2 N 0.00 -5.05 -3.56 1.61 2.88 -1.26 -5.05 113.62 103.20 1wfg n SER 2 Ca 0.00 1.11 -0.16 0.00 -1.33 0.00 0.00 58.87 58.50 1wfg n SER 2 Cb 0.00 -3.72 -0.06 0.00 -0.75 0.00 0.00 64.21 59.68 1wfg n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfg s SER 3 N -0.79 -0.63 0.00 -3.46 1.04 -1.26 -5.18 113.70 103.43 1wfg s SER 3 Ca -0.10 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1wfg s SER 3 Cb 0.01 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1wfg s SER 3 CO 0.46 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1wfg n GLY 4 N 1.34 3.90 2.94 7.32 0.00 -1.26 -5.13 105.19 114.31 1wfg n GLY 4 Ca -0.16 -1.72 -0.01 0.00 0.00 0.00 0.00 46.02 44.13 1wfg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfg s SER 5 N 0.23 -1.33 -0.08 1.61 0.15 -1.26 -5.14 113.70 107.88 1wfg s SER 5 Ca 0.00 -1.14 0.01 0.00 0.70 0.00 0.00 55.95 55.52 1wfg s SER 5 Cb 0.00 1.72 -0.03 0.00 -1.71 0.00 0.00 66.02 66.00 1wfg s SER 5 CO 0.00 -0.10 -0.10 -0.55 1.20 0.00 0.00 173.24 173.69 1wfg s SER 6 N 1.35 4.35 0.00 5.45 0.15 -1.26 -5.02 113.70 118.73 1wfg s SER 6 Ca 0.23 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1wfg s SER 6 Cb -0.01 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1wfg s SER 6 CO -0.07 0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1wfg n GLY 7 N 2.58 -0.64 2.87 9.45 0.00 -1.26 -5.10 105.19 113.09 1wfg n GLY 7 Ca -0.18 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.74 -0.49 -0.16 1.61 0.00 -1.26 -5.17 115.29 108.08 1wfg s HIS 8 Ca 0.00 0.12 -0.32 0.00 -3.00 0.00 0.00 55.06 51.86 1wfg s HIS 8 Cb 0.00 0.09 0.14 0.00 -4.00 0.00 0.00 32.58 28.80 1wfg s HIS 8 CO 0.00 -0.33 1.12 0.45 -1.00 0.00 0.00 174.74 174.98 1wfg s SER 9 N 2.14 -0.22 0.12 7.38 0.15 -1.26 -5.18 113.70 116.83 1wfg s SER 9 Ca 0.17 0.09 0.10 0.00 0.70 0.00 0.00 55.95 57.01 1wfg s SER 9 Cb 0.02 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1wfg s SER 9 CO -0.16 -0.31 -0.24 -1.38 1.20 0.00 0.00 173.24 172.35 1wfg s HIS 10 N -2.11 2.08 0.00 3.44 0.00 -1.26 -5.07 115.29 112.38 1wfg s HIS 10 Ca 0.06 -0.40 0.00 0.00 -3.00 0.00 0.00 55.06 51.72 1wfg s HIS 10 Cb -0.01 -1.13 0.00 0.00 -4.00 0.00 0.00 32.58 27.44 1wfg s HIS 10 CO -0.05 0.28 0.00 0.43 -1.00 0.00 0.00 174.74 174.40 1wfg n SER 11 N 1.01 0.00 -3.71 7.38 7.64 -1.26 -5.09 113.62 119.59 1wfg n SER 11 Ca -0.19 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.42 1wfg n SER 11 Cb 0.53 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 1wfg n SER 11 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wfg n ASP 12 N 0.00 2.49 -3.85 6.43 9.92 -1.26 -5.04 116.55 125.24 1wfg n ASP 12 Ca 0.00 -3.10 -0.27 0.00 -0.53 0.00 0.00 54.79 50.88 1wfg n ASP 12 Cb 0.00 -0.71 -0.17 0.00 -0.64 0.00 0.00 41.12 39.61 1wfg n ASP 12 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1wfg s LYS 13 N -1.40 1.22 0.52 -1.24 1.02 -1.26 -5.12 119.74 113.48 1wfg s LYS 13 Ca 0.29 -0.43 -0.21 0.00 0.02 0.00 0.00 55.97 55.64 1wfg s LYS 13 Cb 0.01 -1.90 -0.08 0.00 -0.52 0.00 0.00 37.83 35.34 1wfg s LYS 13 CO -0.15 -0.45 0.87 0.72 -0.92 0.00 0.00 175.35 175.43 1wfg n HIS 14 N 4.93 0.58 0.05 3.18 8.25 -1.26 -4.90 115.22 126.05 1wfg n HIS 14 Ca -0.11 0.49 -0.13 0.00 -0.26 0.00 0.00 57.72 57.71 1wfg n HIS 14 Cb 0.48 -2.13 -0.03 0.00 1.12 0.00 0.00 29.99 29.43 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 0.86 0.45 -5.62 -0.41 0.13 -1.96 -3.44 132.00 122.01 1wfg h PRO 15 Ca -0.46 -0.44 -0.66 0.00 -0.87 0.00 0.00 66.00 63.57 1wfg h PRO 15 Cb 1.36 0.11 -0.07 0.00 0.13 0.00 0.00 31.00 32.53 1wfg h PRO 15 CO 0.52 1.09 -0.47 0.08 -0.23 0.00 0.00 178.00 178.99 1wfg s VAL 16 N -3.40 5.48 -0.21 1.56 1.01 -1.26 -2.65 120.40 120.93 1wfg s VAL 16 Ca -0.06 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 1wfg s VAL 16 Cb 0.09 -3.42 0.09 0.00 0.00 0.00 0.00 36.38 33.15 1wfg s VAL 16 CO 0.86 0.60 0.45 0.42 0.00 0.00 0.00 175.10 177.43 1wfg s THR 17 N -0.90 -0.66 -0.37 3.92 -4.23 -0.33 -5.00 115.64 108.06 1wfg s THR 17 Ca 0.15 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.72 1wfg s THR 17 Cb -0.12 -0.71 0.05 0.00 1.34 0.00 0.00 72.50 73.06 1wfg s THR 17 CO 0.04 0.06 0.16 0.26 -0.54 0.00 0.00 174.62 174.60 1wfg s TRP 18 N 2.59 3.29 0.07 3.99 0.52 -1.26 -0.19 118.94 127.95 1wfg s TRP 18 Ca -0.03 -1.43 0.05 0.00 0.02 0.00 0.00 56.10 54.71 1wfg s TRP 18 Cb -0.12 -2.52 -0.03 0.00 -1.15 0.00 0.00 33.47 29.65 1wfg s TRP 18 CO -0.14 -0.76 -0.13 -0.65 0.02 0.00 0.00 176.95 175.30 1wfg s GLN 19 N 1.42 0.78 0.64 4.98 1.11 -0.10 -4.98 119.66 123.52 1wfg s GLN 19 Ca 0.01 -0.96 -0.13 0.00 0.01 0.00 0.00 55.36 54.29 1wfg s GLN 19 Cb -0.20 -0.72 -0.02 0.00 -1.01 0.00 0.00 33.01 31.06 1wfg s GLN 19 CO 0.03 0.15 1.05 -1.25 0.01 0.00 0.00 175.29 175.28 1wfg s PRO 20 N -1.86 3.16 0.27 2.91 0.04 -1.26 0.15 135.00 138.40 1wfg s PRO 20 Ca -0.02 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.03 1wfg s PRO 20 Cb -0.09 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.50 1wfg s PRO 20 CO 0.02 -0.93 0.22 -1.13 0.04 0.00 0.00 177.00 175.22 1wfg n SER 21 N -2.58 -1.45 0.24 6.66 3.41 -0.77 -4.63 113.62 114.50 1wfg n SER 21 Ca 0.08 -0.56 0.08 0.00 -0.26 0.00 0.00 58.87 58.21 1wfg n SER 21 Cb 0.53 -0.21 0.58 0.00 -0.26 0.00 0.00 64.21 64.85 1wfg n SER 21 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1wfg h LYS 22 N 0.00 0.00 0.00 4.33 3.64 -1.97 -3.24 116.57 119.33 1wfg h LYS 22 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1wfg h LYS 22 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1wfg h LYS 22 CO 0.06 0.15 -0.05 0.22 -2.27 0.00 0.00 179.45 177.55 1wfg h ASP 23 N 0.00 0.00 0.00 4.20 1.82 -1.92 -3.50 116.42 117.02 1wfg h ASP 23 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1wfg h ASP 23 Cb 0.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1wfg h ASP 23 CO 0.02 0.15 0.00 0.61 -1.61 0.00 0.00 179.24 178.41 1wfg n GLY 24 N 1.84 1.23 0.29 -0.78 0.00 -1.23 -4.96 105.19 101.59 1wfg n GLY 24 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 1.55 0.32 -2.25 1.61 5.19 -1.96 -3.43 116.42 117.46 1wfg h ASP 25 Ca 0.00 -0.01 -0.48 0.00 -0.62 0.00 0.00 57.03 55.92 1wfg h ASP 25 Cb 0.00 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 1wfg h ASP 25 CO 0.00 0.25 -0.45 -0.13 -3.12 0.00 0.00 179.24 175.79 1wfg s ARG 26 N -5.33 3.36 -0.21 3.56 1.81 -1.26 0.16 118.95 121.04 1wfg s ARG 26 Ca -0.07 -0.78 0.01 0.00 -1.72 0.00 0.00 55.73 53.17 1wfg s ARG 26 Cb 0.17 -2.85 0.05 0.00 -0.45 0.00 0.00 34.95 31.87 1wfg s ARG 26 CO 0.71 0.44 -0.09 -1.17 -0.68 0.00 0.00 175.30 174.51 1wfg s LEU 27 N -3.85 2.43 -0.49 2.53 1.98 0.44 -1.84 118.68 119.88 1wfg s LEU 27 Ca 0.34 -1.00 -0.21 0.00 -2.89 0.00 0.00 54.13 50.36 1wfg s LEU 27 Cb -0.09 -1.23 0.04 0.00 0.66 0.00 0.00 46.19 45.57 1wfg s LEU 27 CO 0.28 -0.18 0.71 -0.63 -1.89 0.00 0.00 176.35 174.65 1wfg s ILE 28 N 1.38 4.73 -0.15 6.68 -1.09 0.39 -0.82 121.20 132.33 1wfg s ILE 28 Ca -0.03 -0.04 -0.07 0.00 -2.23 0.00 0.00 60.65 58.28 1wfg s ILE 28 Cb -0.17 -4.32 -0.04 0.00 -1.58 0.00 0.00 42.46 36.35 1wfg s ILE 28 CO -0.07 -0.79 0.09 -0.83 -1.23 0.00 0.00 174.94 172.10 1wfg s GLY 29 N 2.44 2.01 -0.12 6.18 0.00 0.52 -0.92 107.32 117.42 1wfg s GLY 29 Ca 0.22 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.26 1wfg s GLY 29 CO 0.17 -0.20 -0.20 0.50 0.00 0.00 0.00 173.10 173.37 1wfg s ARG 30 N -0.36 3.15 -0.25 2.90 0.52 0.73 0.14 118.95 125.77 1wfg s ARG 30 Ca 0.10 -0.81 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1wfg s ARG 30 Cb -0.12 -2.43 0.06 0.00 0.52 0.00 0.00 34.95 32.98 1wfg s ARG 30 CO 0.01 0.15 -0.07 0.42 0.02 0.00 0.00 175.30 175.84 1wfg s ILE 31 N 0.45 1.78 -0.27 1.52 1.09 -0.60 -1.19 121.20 123.98 1wfg s ILE 31 Ca -0.14 -1.42 -0.07 0.00 -1.10 0.00 0.00 60.65 57.92 1wfg s ILE 31 Cb -0.17 -2.01 -0.01 0.00 -1.06 0.00 0.00 42.46 39.22 1wfg s ILE 31 CO 0.06 -0.11 0.07 -0.22 -0.10 0.00 0.00 174.94 174.64 1wfg s LEU 32 N 1.27 3.61 -0.10 2.97 2.96 -1.08 0.13 118.68 128.44 1wfg s LEU 32 Ca -0.06 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.33 1wfg s LEU 32 Cb -0.19 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1wfg s LEU 32 CO -0.06 -0.11 0.15 -0.76 -1.32 0.00 0.00 176.35 174.24 1wfg s LEU 33 N 1.55 4.39 -0.19 -0.68 2.01 -0.12 -4.60 118.68 121.04 1wfg s LEU 33 Ca 0.05 0.45 -0.02 0.00 0.01 0.00 0.00 54.13 54.62 1wfg s LEU 33 Cb -0.16 -2.16 0.06 0.00 0.01 0.00 0.00 46.19 43.94 1wfg s LEU 33 CO 0.03 0.39 0.00 0.21 1.01 0.00 0.00 176.35 177.99 1wfg s ASN 34 N -1.18 3.05 -0.20 2.29 3.84 -1.26 -1.57 114.94 119.91 1wfg s ASN 34 Ca 0.17 -0.85 0.16 0.00 0.21 0.00 0.00 52.86 52.55 1wfg s ASN 34 Cb -0.12 -0.75 0.62 0.00 -0.55 0.00 0.00 41.25 40.45 1wfg s ASN 34 CO 0.06 -0.27 1.53 2.29 -2.79 0.00 0.00 177.10 177.92 1wfg n LYS 35 N 4.95 3.52 -2.44 0.43 0.00 -0.99 -4.97 118.16 118.65 1wfg n LYS 35 Ca -0.10 -2.95 -0.42 0.00 -0.00 0.00 0.00 58.31 54.84 1wfg n LYS 35 Cb 0.47 -1.98 -0.03 0.00 -0.00 0.00 0.00 35.03 33.49 1wfg n LYS 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1wfg s ARG 36 N -2.82 4.33 1.36 -1.58 0.52 -1.25 -4.39 118.95 115.11 1wfg s ARG 36 Ca 0.46 1.68 -0.20 0.00 -0.52 0.00 0.00 55.73 57.15 1wfg s ARG 36 Cb 0.37 -3.60 0.34 0.00 0.52 0.00 0.00 34.95 32.58 1wfg s ARG 36 CO 0.11 -0.50 0.86 1.28 0.02 0.00 0.00 175.30 177.06 1wfg n LEU 37 N 5.48 -0.95 0.02 2.53 4.77 -1.00 -4.70 117.00 123.15 1wfg n LEU 37 Ca 0.12 -0.61 -0.10 0.00 -0.03 0.00 0.00 56.01 55.38 1wfg n LEU 37 Cb 0.46 -1.07 -0.04 0.00 -2.33 0.00 0.00 43.42 40.45 1wfg n LEU 37 CO 0.55 -4.12 0.76 0.50 -1.33 0.00 0.00 177.39 173.76 1wfg h LYS 38 N -3.28 -0.20 -0.06 3.23 3.64 -1.95 0.32 116.57 118.27 1wfg h LYS 38 Ca -0.47 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1wfg h LYS 38 Cb 1.31 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1wfg h LYS 38 CO 0.32 -0.13 0.19 0.22 -2.27 0.00 0.00 179.45 177.79 1wfg h ASP 39 N -0.20 0.00 0.00 4.20 3.58 -2.03 -3.44 116.42 118.52 1wfg h ASP 39 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1wfg h ASP 39 Cb 0.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1wfg h ASP 39 CO -0.20 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.77 1wfg n GLY 40 N -1.24 1.00 3.15 -0.78 0.00 0.11 -5.08 105.19 102.35 1wfg n GLY 40 Ca -0.01 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.11 3.09 0.37 1.61 0.01 -1.25 -4.68 113.70 110.73 1wfg s SER 41 Ca 0.00 -0.61 -0.27 0.00 1.31 0.00 0.00 55.95 56.37 1wfg s SER 41 Cb 0.00 -1.44 -0.09 0.00 0.21 0.00 0.00 66.02 64.69 1wfg s SER 41 CO 0.00 0.05 1.30 -0.69 0.41 0.00 0.00 173.24 174.31 1wfg s VAL 42 N 1.00 2.67 1.08 3.43 1.01 -1.26 -2.38 120.40 125.95 1wfg s VAL 42 Ca -0.02 0.64 -0.17 0.00 0.00 0.00 0.00 61.98 62.42 1wfg s VAL 42 Cb -0.15 -3.39 0.24 0.00 0.00 0.00 0.00 36.38 33.09 1wfg s VAL 42 CO -0.06 0.12 1.22 -2.16 0.00 0.00 0.00 175.10 174.22 1wfg s PRO 43 N -2.05 -0.24 0.44 2.72 0.04 -1.26 -4.84 135.00 129.81 1wfg s PRO 43 Ca 0.53 -0.24 0.35 0.00 0.04 0.00 0.00 61.00 61.69 1wfg s PRO 43 Cb -0.39 -1.73 1.46 0.00 0.04 0.00 0.00 34.50 33.89 1wfg s PRO 43 CO 0.50 -3.03 1.46 0.54 0.04 0.00 0.00 177.00 176.52 1wfg n ARG 44 N -4.24 -0.02 0.00 4.56 5.12 -1.26 -4.23 116.66 116.59 1wfg n ARG 44 Ca 0.14 1.13 0.00 0.00 -1.93 0.00 0.00 57.85 57.19 1wfg n ARG 44 Cb 0.59 -2.32 0.00 0.00 -1.16 0.00 0.00 32.46 29.57 1wfg n ARG 44 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1wfg n ASP 45 N -4.37 0.00 -0.26 0.55 5.68 -1.26 -5.01 116.55 111.89 1wfg n ASP 45 Ca 0.39 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.82 1wfg n ASP 45 Cb 1.59 0.00 0.69 0.00 -1.14 0.00 0.00 41.12 42.25 1wfg n ASP 45 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1wfg n SER 46 N 0.00 0.79 0.00 -1.12 2.88 -1.26 -4.81 113.62 110.10 1wfg n SER 46 Ca 0.00 -1.31 0.00 0.00 -1.33 0.00 0.00 58.87 56.23 1wfg n SER 46 Cb 0.00 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 1.07 0.57 0.40 0.46 0.00 -1.26 -4.89 105.19 101.53 1wfg n GLY 47 Ca 0.20 -0.39 0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.30 -0.17 4.61 0.00 -1.87 1.43 119.26 125.56 1wfg h ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wfg h ALA 48 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1wfg h ALA 48 CO 0.00 -0.54 0.00 -1.33 0.00 0.00 0.00 179.25 177.38 1wfg n MET 49 N -4.45 1.46 0.00 0.00 2.81 -1.26 -4.78 117.12 110.91 1wfg n MET 49 Ca 0.16 -0.71 0.00 0.00 -1.81 0.00 0.00 57.70 55.34 1wfg n MET 49 Cb 0.67 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.96 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 0.03 0.00 0.00 4.03 7.99 0.49 -2.57 117.00 126.97 1wfg n LEU 50 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 1wfg n LEU 50 Cb 0.19 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 1wfg n LEU 50 CO 0.07 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.56 1wfg n GLY 51 N 0.00 0.00 3.78 -0.72 0.00 -1.26 -3.94 105.19 103.04 1wfg n GLY 51 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.08 -0.05 0.99 0.05 -1.06 -1.58 118.68 116.95 1wfg s LEU 52 Ca 0.00 -0.71 0.05 0.00 0.05 0.00 0.00 54.13 53.52 1wfg s LEU 52 Cb 0.00 2.44 -0.01 0.00 -2.05 0.00 0.00 46.19 46.57 1wfg s LEU 52 CO 0.00 -1.29 -0.20 -0.75 -0.55 0.00 0.00 176.35 173.56 1wfg s LYS 53 N -3.94 2.14 0.00 1.48 2.20 0.45 -4.94 119.74 117.14 1wfg s LYS 53 Ca 0.15 -0.73 0.06 0.00 -0.36 0.00 0.00 55.97 55.09 1wfg s LYS 53 Cb -0.04 -1.82 -0.02 0.00 -1.51 0.00 0.00 37.83 34.44 1wfg s LYS 53 CO 0.08 0.28 -0.20 0.08 -0.36 0.00 0.00 175.35 175.23 1wfg s VAL 54 N 0.01 1.59 -0.24 4.02 1.01 -1.26 -0.78 120.40 124.74 1wfg s VAL 54 Ca -0.05 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1wfg s VAL 54 Cb -0.13 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 34.96 1wfg s VAL 54 CO 0.03 0.37 -0.13 -0.69 0.00 0.00 0.00 175.10 174.69 1wfg s VAL 55 N -0.57 2.21 0.35 2.92 1.01 -0.34 -4.92 120.40 121.06 1wfg s VAL 55 Ca 0.08 -1.43 0.04 0.00 0.00 0.00 0.00 61.98 60.66 1wfg s VAL 55 Cb -0.08 -2.20 0.06 0.00 0.00 0.00 0.00 36.38 34.16 1wfg s VAL 55 CO -0.00 0.12 0.48 0.61 0.00 0.00 0.00 175.10 176.30 1wfg n GLY 56 N 4.50 1.59 2.77 4.51 0.00 -1.26 -1.94 105.19 115.35 1wfg n GLY 56 Ca -0.16 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 43.72 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 0.98 0.23 3.65 -0.02 0.00 -1.23 -4.11 105.19 104.69 1wfg n GLY 57 Ca 0.09 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.73 4.11 -0.48 1.61 2.20 -1.18 -4.66 119.74 119.62 1wfg s LYS 58 Ca 0.00 1.96 -0.26 0.00 -0.36 0.00 0.00 55.97 57.31 1wfg s LYS 58 Cb 0.00 -3.95 0.03 0.00 -1.51 0.00 0.00 37.83 32.40 1wfg s LYS 58 CO 0.00 -0.91 0.96 1.41 -0.36 0.00 0.00 175.35 176.46 1wfg s MET 59 N 4.05 3.54 0.00 4.03 -2.45 -1.26 -3.05 119.30 124.15 1wfg s MET 59 Ca 0.69 0.18 0.00 0.00 -1.25 0.00 0.00 55.69 55.30 1wfg s MET 59 Cb -0.29 -3.94 0.00 0.00 1.25 0.00 0.00 34.83 31.85 1wfg s MET 59 CO 0.26 -1.29 0.00 0.25 1.05 0.00 0.00 175.02 175.29 1wfg n THR 60 N 6.47 0.00 1.32 10.11 -2.24 -0.47 -4.94 114.28 124.53 1wfg n THR 60 Ca 0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1wfg n THR 60 Cb 0.48 -1.62 0.37 0.00 -2.10 0.00 0.00 70.33 67.47 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 -0.25 1.69 -0.16 -0.78 0.28 -1.26 -3.63 120.64 116.53 1wfg n GLU 61 Ca 0.00 -1.14 0.06 0.00 -0.16 0.00 0.00 57.16 55.92 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 0.45 -0.16 0.00 0.00 177.13 177.42 1wfg n SER 62 N 0.34 2.86 -0.08 -1.84 2.88 -1.26 -4.94 113.62 111.59 1wfg n SER 62 Ca 0.16 -1.93 -0.01 0.00 -1.33 0.00 0.00 58.87 55.77 1wfg n SER 62 Cb 0.42 -0.21 -0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1wfg n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfg n GLY 63 N 0.62 0.39 3.92 0.46 0.00 -1.24 -5.00 105.19 104.35 1wfg n GLY 63 Ca 0.12 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.01 3.56 -0.04 1.61 0.52 -1.26 -4.85 118.95 117.48 1wfg s ARG 64 Ca 0.00 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 1wfg s ARG 64 Cb 0.00 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 1wfg s ARG 64 CO 0.00 0.28 -0.12 -0.51 0.02 0.00 0.00 175.30 174.97 1wfg s LEU 65 N -3.59 2.89 0.27 2.53 1.43 -1.26 -1.37 118.68 119.58 1wfg s LEU 65 Ca 0.41 -0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 1wfg s LEU 65 Cb -0.11 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1wfg s LEU 65 CO 0.31 0.33 0.55 0.00 0.23 0.00 0.00 176.35 177.77 1wfg s ALA 67 N -3.81 2.55 -0.00 0.00 0.00 -1.25 -3.10 121.76 116.15 1wfg s ALA 67 Ca 0.20 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.22 1wfg s ALA 67 Cb -0.02 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 1wfg s ALA 67 CO 0.10 0.03 -0.21 -0.06 0.00 0.00 0.00 175.76 175.61 1wfg s PHE 68 N 0.71 1.88 0.16 0.00 0.08 -0.82 -0.61 117.98 119.39 1wfg s PHE 68 Ca -0.06 -0.36 -0.31 0.00 0.12 0.00 0.00 56.93 56.32 1wfg s PHE 68 Cb -0.15 -1.19 -0.09 0.00 -0.57 0.00 0.00 43.02 41.02 1wfg s PHE 68 CO 0.02 -0.00 1.40 0.42 -0.10 0.00 0.00 175.22 176.96 1wfg s ILE 69 N -0.56 3.08 -0.03 0.64 1.01 -1.20 -1.20 121.20 122.93 1wfg s ILE 69 Ca 0.08 0.82 0.13 0.00 0.00 0.00 0.00 60.65 61.67 1wfg s ILE 69 Cb -0.08 -3.52 -0.19 0.00 0.01 0.00 0.00 42.46 38.67 1wfg s ILE 69 CO -0.00 0.09 0.24 0.35 0.00 0.00 0.00 174.94 175.62 1wfg n THR 70 N 3.38 0.13 -3.60 2.92 -2.24 0.04 -1.53 114.28 113.37 1wfg n THR 70 Ca 0.10 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1wfg n THR 70 Cb 0.41 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.64 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 -2.80 0.74 -0.22 -0.78 2.20 -1.22 -4.76 119.74 112.90 1wfg s LYS 71 Ca -0.05 0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 56.11 1wfg s LYS 71 Cb 0.07 0.36 0.09 0.00 -1.51 0.00 0.00 37.83 36.84 1wfg s LYS 71 CO 0.53 -0.15 0.18 0.54 -0.36 0.00 0.00 175.35 176.09 1wfg s VAL 72 N -0.23 -0.23 -0.81 4.02 0.11 -1.26 0.17 120.40 122.17 1wfg s VAL 72 Ca -0.02 -0.28 -0.22 0.00 -2.93 0.00 0.00 61.98 58.53 1wfg s VAL 72 Cb -0.03 -0.74 -0.18 0.00 -1.53 0.00 0.00 36.38 33.90 1wfg s VAL 72 CO 0.01 -0.35 2.37 1.17 -3.33 0.00 0.00 175.10 174.98 1wfg n LYS 73 N 5.30 0.46 -1.53 1.54 3.00 -0.61 -4.79 118.16 121.52 1wfg n LYS 73 Ca -0.06 -0.45 -0.45 0.00 -0.00 0.00 0.00 58.31 57.36 1wfg n LYS 73 Cb 0.48 -2.84 -0.05 0.00 0.00 0.00 0.00 35.03 32.62 1wfg n LYS 73 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1wfg n LYS 74 N 8.02 1.48 0.00 1.64 4.81 -1.26 -1.82 118.16 131.03 1wfg n LYS 74 Ca 0.52 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 1wfg n LYS 74 Cb 0.35 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.46 1wfg n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wfg n GLY 75 N 6.11 0.51 0.00 3.14 0.00 -1.26 -5.05 105.19 108.64 1wfg n GLY 75 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1wfg n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfg n SER 76 N 0.00 1.36 0.11 1.61 7.64 -0.75 -4.85 113.62 118.73 1wfg n SER 76 Ca 0.00 -0.70 -0.04 0.00 1.01 0.00 0.00 58.87 59.13 1wfg n SER 76 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1wfg n SER 76 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wfg h LEU 77 N 0.00 -0.23 -5.27 -3.43 3.38 -1.88 0.31 115.31 108.19 1wfg h LEU 77 Ca 0.00 0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1wfg h LEU 77 Cb 0.00 0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1wfg h LEU 77 CO 0.00 -0.16 2.18 0.00 0.09 0.00 0.00 178.44 180.55 1wfg n ALA 78 N -2.15 4.61 0.03 1.53 0.00 -1.26 -1.39 120.51 121.88 1wfg n ALA 78 Ca -0.03 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.57 1wfg n ALA 78 Cb 0.11 -2.88 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 -0.25 0.00 0.00 0.00 177.50 177.25 1wfg n ASP 79 N 3.95 -0.51 0.14 0.00 9.92 -1.18 -4.16 116.55 124.70 1wfg n ASP 79 Ca 0.41 0.19 -0.25 0.00 -0.53 0.00 0.00 54.79 54.62 1wfg n ASP 79 Cb 0.20 0.70 -0.16 0.00 -0.64 0.00 0.00 41.12 41.22 1wfg n ASP 79 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1wfg h THR 80 N 0.00 1.30 0.00 -3.53 1.35 -0.09 -1.52 112.91 110.41 1wfg h THR 80 Ca 0.00 -2.67 -0.36 0.00 -0.55 0.00 0.00 66.41 62.83 1wfg h THR 80 Cb 0.00 3.04 -0.06 0.00 -1.73 0.00 0.00 68.15 69.39 1wfg h THR 80 CO 0.00 0.80 -2.34 1.33 -0.25 0.00 0.00 175.52 175.06 1wfg n VAL 81 N -3.75 1.35 0.05 6.82 0.24 -0.60 -4.53 118.33 117.91 1wfg n VAL 81 Ca -0.17 -0.61 -0.20 0.00 -2.04 0.00 0.00 64.34 61.32 1wfg n VAL 81 Cb 1.08 -1.09 -0.13 0.00 -1.47 0.00 0.00 33.84 32.23 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 2.41 0.57 -4.34 7.63 0.00 -1.41 -3.44 103.07 104.49 1wfg h GLY 82 Ca -0.53 -1.15 -0.31 0.00 0.00 0.00 0.00 47.33 45.34 1wfg h GLY 82 CO -0.05 1.01 -0.50 1.42 0.00 0.00 0.00 176.54 178.42 1wfg n HIS 83 N -3.99 -2.00 -2.20 5.60 8.25 -0.57 -4.78 115.22 115.53 1wfg n HIS 83 Ca -0.13 0.66 -0.27 0.00 -0.26 0.00 0.00 57.72 57.72 1wfg n HIS 83 Cb 0.85 -3.97 0.17 0.00 1.12 0.00 0.00 29.99 28.17 1wfg n HIS 83 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1wfg n LEU 84 N -3.70 0.00 -3.46 2.41 4.77 -1.26 -4.94 117.00 110.81 1wfg n LEU 84 Ca -0.02 -1.75 -0.13 0.00 -0.03 0.00 0.00 56.01 54.08 1wfg n LEU 84 Cb 0.56 -0.89 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1wfg n LEU 84 CO 0.45 -1.28 0.39 -0.13 -1.33 0.00 0.00 177.39 175.49 1wfg s ARG 85 N -5.65 1.20 -1.08 3.23 0.52 -1.26 -4.82 118.95 111.10 1wfg s ARG 85 Ca 0.73 -0.30 -0.22 0.00 -0.52 0.00 0.00 55.73 55.41 1wfg s ARG 85 Cb -0.03 0.56 -0.00 0.00 0.52 0.00 0.00 34.95 36.00 1wfg s ARG 85 CO 0.50 -0.49 1.75 -1.25 0.02 0.00 0.00 175.30 175.83 1wfg s PRO 86 N -3.09 3.15 0.00 3.54 0.04 -1.26 -2.93 135.00 134.45 1wfg s PRO 86 Ca -0.02 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 59.95 1wfg s PRO 86 Cb -0.01 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1wfg s PRO 86 CO -0.07 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.47 1wfg n GLY 87 N 6.35 0.53 2.78 0.56 0.00 -0.58 -4.83 105.19 110.00 1wfg n GLY 87 Ca 0.41 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.40 -3.62 1.61 8.00 -1.15 -4.73 116.55 113.27 1wfg n ASP 88 Ca 0.00 -0.58 -0.29 0.00 0.71 0.00 0.00 54.79 54.63 1wfg n ASP 88 Cb 0.00 -0.78 -0.15 0.00 -0.02 0.00 0.00 41.12 40.17 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 -4.03 0.38 -0.24 -1.24 2.12 -1.26 -3.23 118.70 111.20 1wfg s GLU 89 Ca 0.44 -0.67 -0.29 0.00 0.36 0.00 0.00 54.97 54.81 1wfg s GLU 89 Cb -0.08 -1.52 -0.02 0.00 0.26 0.00 0.00 34.13 32.77 1wfg s GLU 89 CO 0.37 -0.96 1.48 0.54 -0.54 0.00 0.00 175.26 176.15 1wfg s VAL 90 N 1.93 3.88 -0.12 3.70 0.11 0.22 -2.52 120.40 127.60 1wfg s VAL 90 Ca 0.08 1.00 -0.08 0.00 -2.93 0.00 0.00 61.98 60.05 1wfg s VAL 90 Cb -0.16 -3.88 -0.07 0.00 -1.53 0.00 0.00 36.38 30.73 1wfg s VAL 90 CO -0.30 -0.35 0.17 -0.07 -3.33 0.00 0.00 175.10 171.22 1wfg h LEU 91 N 11.28 0.00 -9.55 2.54 3.38 0.25 -3.32 115.31 119.88 1wfg h LEU 91 Ca -0.31 -0.25 -0.58 0.00 0.09 0.00 0.00 57.88 56.84 1wfg h LEU 91 Cb 1.13 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.78 1wfg h LEU 91 CO 1.01 0.68 -0.64 -1.61 0.09 0.00 0.00 178.44 177.97 1wfg s GLU 92 N -1.80 2.12 -0.32 1.13 2.02 -1.22 0.20 118.70 120.83 1wfg s GLU 92 Ca -0.07 -1.63 -0.01 0.00 0.02 0.00 0.00 54.97 53.28 1wfg s GLU 92 Cb -0.00 -2.00 0.12 0.00 0.10 0.00 0.00 34.13 32.35 1wfg s GLU 92 CO 0.20 0.23 0.20 -0.46 0.02 0.00 0.00 175.26 175.46 1wfg s TRP 93 N -2.45 0.31 -0.52 1.61 -0.11 0.18 -2.64 118.94 115.32 1wfg s TRP 93 Ca 0.33 -1.07 0.00 0.00 1.22 0.00 0.00 56.10 56.59 1wfg s TRP 93 Cb -0.03 -0.80 0.00 0.00 -1.50 0.00 0.00 33.47 31.14 1wfg s TRP 93 CO 0.19 -0.86 0.00 -1.71 -4.62 0.00 0.00 176.95 169.96 1wfg n ASN 94 N 4.70 -3.92 0.00 5.86 2.85 0.58 -2.17 115.26 123.16 1wfg n ASN 94 Ca 0.03 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 1wfg n ASN 94 Cb 0.41 -1.85 0.00 0.00 1.24 0.00 0.00 39.78 39.58 1wfg n ASN 94 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wfg n GLY 95 N -1.94 1.44 3.60 8.20 0.00 -1.26 -4.84 105.19 110.40 1wfg n GLY 95 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.51 3.82 0.17 1.61 1.81 -0.92 -5.01 118.95 119.93 1wfg s ARG 96 Ca 0.00 0.52 -0.31 0.00 -1.72 0.00 0.00 55.73 54.23 1wfg s ARG 96 Cb 0.00 -3.81 -0.09 0.00 -0.45 0.00 0.00 34.95 30.61 1wfg s ARG 96 CO 0.00 -0.93 1.36 -1.17 -0.68 0.00 0.00 175.30 173.88 1wfg s LEU 97 N 3.41 4.39 -0.02 2.53 2.96 -1.26 0.48 118.68 131.16 1wfg s LEU 97 Ca 0.37 2.41 0.20 0.00 -0.22 0.00 0.00 54.13 56.89 1wfg s LEU 97 Cb -0.12 -3.60 -0.24 0.00 0.50 0.00 0.00 46.19 42.72 1wfg s LEU 97 CO 0.18 -0.60 0.51 0.18 -1.32 0.00 0.00 176.35 175.30 1wfg n LEU 98 N 3.14 0.24 -4.62 -0.68 4.77 0.55 -4.69 117.00 115.71 1wfg n LEU 98 Ca 0.08 0.10 -0.49 0.00 -0.03 0.00 0.00 56.01 55.67 1wfg n LEU 98 Cb 0.42 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1wfg n LEU 98 CO 0.58 0.11 1.60 0.00 -1.33 0.00 0.00 177.39 178.35 1wfg n GLN 99 N -2.52 1.77 0.00 3.23 6.02 -1.22 0.07 117.38 124.73 1wfg n GLN 99 Ca -0.11 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1wfg n GLN 99 Cb 0.74 -2.61 0.00 0.00 1.02 0.00 0.00 30.24 29.39 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 5.09 2.78 3.64 1.08 0.00 0.44 -4.95 105.19 113.27 1wfg n GLY 100 Ca 0.29 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1wfg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg n ALA 101 N 0.00 0.52 -1.92 4.61 0.00 0.11 -4.65 120.51 119.18 1wfg n ALA 101 Ca 0.00 0.26 -0.28 0.00 0.00 0.00 0.00 53.44 53.42 1wfg n ALA 101 Cb 0.00 -2.14 0.11 0.00 0.00 0.00 0.00 19.45 17.43 1wfg n ALA 101 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wfg s THR 102 N -1.22 2.05 0.26 0.00 -4.23 -1.26 -3.48 115.64 107.75 1wfg s THR 102 Ca 0.62 -0.07 -0.01 0.00 -1.18 0.00 0.00 61.69 61.05 1wfg s THR 102 Cb -0.56 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 70.54 1wfg s THR 102 CO 0.58 0.00 1.77 0.15 -0.54 0.00 0.00 174.62 176.58 1wfg h PHE 103 N -1.13 0.80 0.03 3.99 3.57 -1.83 0.37 116.94 122.74 1wfg h PHE 103 Ca -0.45 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1wfg h PHE 103 Cb 1.30 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1wfg h PHE 103 CO -0.11 0.21 -0.02 0.93 -2.23 0.00 0.00 178.31 177.09 1wfg h GLU 104 N 0.65 -0.04 -0.04 1.11 5.08 -1.92 -2.60 114.58 116.81 1wfg h GLU 104 Ca 0.46 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.85 1wfg h GLU 104 Cb 0.63 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1wfg h GLU 104 CO -0.35 0.37 -0.48 0.93 -1.00 0.00 0.00 179.01 178.48 1wfg h GLU 105 N -0.47 -0.55 -0.73 2.33 5.08 -1.70 1.24 114.58 119.78 1wfg h GLU 105 Ca -0.00 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.54 1wfg h GLU 105 Cb 0.43 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.67 1wfg h GLU 105 CO 0.01 -0.37 -0.16 0.28 -1.00 0.00 0.00 179.01 177.77 1wfg h VAL 106 N -0.58 0.28 0.66 3.13 2.07 -1.03 0.19 116.25 120.98 1wfg h VAL 106 Ca 0.02 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1wfg h VAL 106 Cb 0.63 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1wfg h VAL 106 CO -0.35 0.00 -0.32 0.22 0.02 0.00 0.00 177.57 177.15 1wfg h TYR 107 N 0.01 -0.83 -0.91 1.57 5.03 -0.78 -2.75 116.97 118.32 1wfg h TYR 107 Ca 0.36 -0.02 0.25 0.00 2.58 0.00 0.00 58.73 61.90 1wfg h TYR 107 Cb 0.56 0.27 -0.16 0.00 1.55 0.00 0.00 36.73 38.95 1wfg h TYR 107 CO -0.56 -0.49 0.15 -0.91 -1.32 0.00 0.00 178.16 175.03 1wfg h ASN 108 N -0.98 -0.20 0.00 -2.11 2.35 0.28 0.11 115.58 115.03 1wfg h ASN 108 Ca -0.09 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1wfg h ASN 108 Cb 0.71 0.36 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1wfg h ASN 108 CO 0.15 -0.25 0.00 -0.38 -1.65 0.00 0.00 177.43 175.30 1wfg n ILE 109 N -5.34 0.00 -0.53 2.81 5.41 0.52 0.69 119.36 122.92 1wfg n ILE 109 Ca 0.22 1.24 0.45 0.00 1.00 0.00 0.00 62.75 65.66 1wfg n ILE 109 Cb 0.72 -2.04 0.73 0.00 -0.71 0.00 0.00 39.64 38.34 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 0.07 0.43 1.39 2.04 -1.04 0.56 117.51 120.96 1wfg h ILE 110 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1wfg h ILE 110 Cb 0.00 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1wfg h ILE 110 CO 0.00 0.00 -0.20 0.25 0.00 0.00 0.00 178.15 178.20 1wfg h LEU 111 N 0.00 -0.49 -1.86 1.44 6.46 0.11 -2.60 115.31 118.38 1wfg h LEU 111 Ca 0.77 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.55 1wfg h LEU 111 Cb 3.32 0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 43.37 1wfg h LEU 111 CO -0.01 -0.16 0.38 -0.33 -0.62 0.00 0.00 178.44 177.70 1wfg h GLU 112 N -0.95 0.00 -0.64 1.25 5.08 0.55 1.37 114.58 121.23 1wfg h GLU 112 Ca -0.06 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.06 1wfg h GLU 112 Cb 0.44 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.54 1wfg h GLU 112 CO 0.10 0.00 0.24 -1.13 -1.00 0.00 0.00 179.01 177.21 1wfg n SER 113 N -2.86 3.91 -0.02 1.42 3.41 -0.06 -4.51 113.62 114.91 1wfg n SER 113 Ca -0.02 -3.41 -0.13 0.00 -0.26 0.00 0.00 58.87 55.05 1wfg n SER 113 Cb 0.42 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 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 1.79 0.04 0.00 4.33 1.79 0.22 -3.17 116.57 121.57 1wfg h LYS 114 Ca 0.30 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.69 1wfg h LYS 114 Cb 2.17 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.81 1wfg h LYS 114 CO 0.67 0.55 -0.30 -1.00 -1.08 0.00 0.00 179.45 178.29 1wfg h PRO 115 N -0.47 0.00 -5.17 3.15 0.13 -1.79 -3.40 132.00 124.44 1wfg h PRO 115 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 1wfg h PRO 115 Cb 0.55 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.77 1wfg h PRO 115 CO 0.00 0.30 -0.41 0.39 -0.23 0.00 0.00 178.00 178.05 1wfg n GLU 116 N -3.31 0.00 0.12 0.86 -0.58 -1.20 -4.84 120.64 111.69 1wfg n GLU 116 Ca 0.01 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.73 1wfg n GLU 116 Cb 0.54 -0.90 0.09 0.00 -0.57 0.00 0.00 31.44 30.60 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 1.03 0.00 -4.83 3.49 0.13 -1.90 -3.47 132.00 126.46 1wfg h PRO 117 Ca -0.26 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.47 1wfg h PRO 117 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1wfg h PRO 117 CO 0.50 0.70 -0.54 1.14 -0.23 0.00 0.00 178.00 179.57 1wfg s GLN 118 N -3.30 1.58 -0.23 0.86 -2.07 -1.26 -2.34 119.66 112.89 1wfg s GLN 118 Ca -0.00 -1.90 -0.04 0.00 -1.82 0.00 0.00 55.36 51.59 1wfg s GLN 118 Cb 0.11 0.15 0.12 0.00 -1.09 0.00 0.00 33.01 32.31 1wfg s GLN 118 CO 0.77 -0.52 0.43 0.08 -1.32 0.00 0.00 175.29 174.73 1wfg s VAL 119 N -3.66 -0.68 -0.40 3.63 1.01 -0.61 -4.95 120.40 114.74 1wfg s VAL 119 Ca 0.38 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 1wfg s VAL 119 Cb 0.04 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1wfg s VAL 119 CO 0.20 -0.03 0.45 -0.70 0.00 0.00 0.00 175.10 175.03 1wfg s GLU 120 N 2.62 3.23 0.39 2.72 2.12 -1.26 -0.94 118.70 127.58 1wfg s GLU 120 Ca 0.07 -0.61 0.02 0.00 0.36 0.00 0.00 54.97 54.81 1wfg s GLU 120 Cb -0.14 -3.93 -0.01 0.00 0.26 0.00 0.00 34.13 30.31 1wfg s GLU 120 CO -0.15 -0.80 0.58 -0.51 -0.54 0.00 0.00 175.26 173.84 1wfg s LEU 121 N 2.21 3.84 -0.26 2.70 1.43 0.36 0.21 118.68 129.18 1wfg s LEU 121 Ca 0.14 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1wfg s LEU 121 Cb -0.17 -3.09 0.13 0.00 0.03 0.00 0.00 46.19 43.09 1wfg s LEU 121 CO 0.14 -0.51 0.31 -0.69 0.23 0.00 0.00 176.35 175.82 1wfg s VAL 122 N -2.38 -0.45 -0.02 -1.59 1.01 -1.08 -1.56 120.40 114.33 1wfg s VAL 122 Ca 0.45 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 1wfg s VAL 122 Cb -0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1wfg s VAL 122 CO 0.35 -0.31 0.04 0.68 0.00 0.00 0.00 175.10 175.86 1wfg s VAL 123 N 2.41 4.46 -0.23 2.92 -7.23 0.37 0.22 120.40 123.32 1wfg s VAL 123 Ca 0.10 -0.44 0.01 0.00 -1.81 0.00 0.00 61.98 59.83 1wfg s VAL 123 Cb -0.15 -2.99 0.06 0.00 0.56 0.00 0.00 36.38 33.86 1wfg s VAL 123 CO -0.24 0.41 -0.07 -0.55 -0.31 0.00 0.00 175.10 174.34 1wfg s SER 124 N -1.51 3.77 0.25 4.85 0.15 -1.05 0.19 113.70 120.36 1wfg s SER 124 Ca 0.20 -1.11 0.11 0.00 0.70 0.00 0.00 55.95 55.84 1wfg s SER 124 Cb -0.12 -1.21 -0.05 0.00 -1.71 0.00 0.00 66.02 62.94 1wfg s SER 124 CO 0.10 -0.21 -0.15 0.00 1.20 0.00 0.00 173.24 174.19 1wfg s ARG 125 N 1.38 1.85 -0.05 5.44 1.70 0.00 -4.55 118.95 124.73 1wfg s ARG 125 Ca -0.05 -1.59 -0.30 0.00 -0.47 0.00 0.00 55.73 53.32 1wfg s ARG 125 Cb -0.18 -1.92 -0.02 0.00 -0.57 0.00 0.00 34.95 32.26 1wfg s ARG 125 CO -0.07 0.36 0.99 -1.54 -1.08 0.00 0.00 175.30 173.97 1wfg s SER 126 N -3.35 7.31 0.53 -2.89 1.04 -1.26 0.17 113.70 115.24 1wfg s SER 126 Ca 0.28 1.60 0.00 0.00 0.48 0.00 0.00 55.95 58.32 1wfg s SER 126 Cb -0.06 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1wfg s SER 126 CO 0.15 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1wfg n GLY 127 N 2.99 -2.72 3.71 7.32 0.00 0.12 -4.85 105.19 111.77 1wfg n GLY 127 Ca 0.07 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.58 4.43 -0.30 1.61 0.04 -1.26 -5.01 135.00 132.94 1wfg s PRO 128 Ca 0.00 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 62.72 1wfg s PRO 128 Cb 0.00 -3.39 0.17 0.00 0.04 0.00 0.00 34.50 31.32 1wfg s PRO 128 CO 0.00 -0.26 0.61 -1.12 0.04 0.00 0.00 177.00 176.27 1wfg s SER 129 N 1.12 -1.30 0.28 6.66 0.01 -1.26 -5.04 113.70 114.18 1wfg s SER 129 Ca 0.58 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.91 1wfg s SER 129 Cb -0.28 2.20 0.00 0.00 0.21 0.00 0.00 66.02 68.15 1wfg s SER 129 CO 0.28 -0.25 0.00 -1.20 0.41 0.00 0.00 173.24 172.48 1wfg n SER 130 N 5.43 -0.67 -0.30 2.44 7.64 -1.26 -5.26 113.62 121.65 1wfg n SER 130 Ca -0.04 0.49 0.15 0.00 1.01 0.00 0.00 58.87 60.48 1wfg n SER 130 Cb 0.50 0.82 0.69 0.00 -1.01 0.00 0.00 64.21 65.21 1wfg n SER 130 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64