#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 -8.61 -4.66 1.61 7.64 -1.26 -4.65 113.62 103.70 1wfg n SER 2 Ca 0.00 1.15 -0.43 0.00 1.01 0.00 0.00 58.87 60.60 1wfg n SER 2 Cb 0.00 -4.83 -0.02 0.00 -1.01 0.00 0.00 64.21 58.35 1wfg n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfg s SER 3 N -7.27 7.03 0.00 6.43 0.15 -1.26 -5.02 113.70 113.75 1wfg s SER 3 Ca 0.00 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.09 1wfg s SER 3 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1wfg s SER 3 CO 0.00 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1wfg n GLY 4 N 3.48 -0.66 2.05 9.45 0.00 -1.26 -5.07 105.19 113.18 1wfg n GLY 4 Ca 0.13 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1wfg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfg n SER 5 N 0.00 -1.09 0.00 1.61 7.64 -1.26 -5.16 113.62 115.36 1wfg n SER 5 Ca 0.00 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1wfg n SER 5 Cb 0.00 1.19 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 1wfg n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfg n SER 6 N -3.36 0.00 -3.43 6.43 2.88 -1.26 -5.19 113.62 109.69 1wfg n SER 6 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1wfg n SER 6 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1wfg n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfg s GLY 7 N 0.00 0.36 -0.29 0.46 0.00 -1.26 -5.17 107.32 101.42 1wfg s GLY 7 Ca 0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 44.72 43.88 1wfg s GLY 7 CO 0.00 -0.35 0.71 -2.38 0.00 0.00 0.00 173.10 171.08 1wfg s HIS 8 N -3.18 -1.13 0.18 1.90 0.00 -1.26 -5.17 115.29 106.64 1wfg s HIS 8 Ca 0.16 2.10 0.08 0.00 -3.00 0.00 0.00 55.06 54.41 1wfg s HIS 8 Cb -0.04 0.68 -0.04 0.00 -4.00 0.00 0.00 32.58 29.17 1wfg s HIS 8 CO 0.11 -0.56 -0.06 -1.54 -1.00 0.00 0.00 174.74 171.69 1wfg s SER 9 N 2.17 4.45 -0.57 7.38 1.04 -1.26 -5.09 113.70 121.83 1wfg s SER 9 Ca -0.08 -0.52 -0.09 0.00 0.48 0.00 0.00 55.95 55.75 1wfg s SER 9 Cb -0.08 -0.83 0.15 0.00 0.10 0.00 0.00 66.02 65.36 1wfg s SER 9 CO -0.19 0.09 0.45 -2.28 0.98 0.00 0.00 173.24 172.29 1wfg s HIS 10 N -1.75 3.48 -0.90 5.02 5.65 -1.26 -4.98 115.29 120.56 1wfg s HIS 10 Ca 0.26 -2.08 -0.01 0.00 0.25 0.00 0.00 55.06 53.48 1wfg s HIS 10 Cb -0.09 -3.50 0.26 0.00 -1.18 0.00 0.00 32.58 28.08 1wfg s HIS 10 CO 0.17 -0.96 1.01 0.43 -0.65 0.00 0.00 174.74 174.74 1wfg n SER 11 N 4.42 4.84 -3.75 9.88 7.64 -1.26 -4.91 113.62 130.47 1wfg n SER 11 Ca -0.00 -3.31 -0.28 0.00 1.01 0.00 0.00 58.87 56.29 1wfg n SER 11 Cb 0.41 -1.03 -0.11 0.00 -1.01 0.00 0.00 64.21 62.47 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 1.60 2.68 0.00 6.43 8.00 -1.26 -4.98 116.55 129.02 1wfg n ASP 12 Ca 0.25 -3.14 0.00 0.00 0.71 0.00 0.00 54.79 52.61 1wfg n ASP 12 Cb 0.37 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1wfg n ASP 12 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wfg n LYS 13 N 1.87 0.00 -3.74 -1.24 4.76 -1.26 -5.05 118.16 113.50 1wfg n LYS 13 Ca 0.23 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.31 1wfg n LYS 13 Cb 0.38 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.51 1wfg n LYS 13 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1wfg s HIS 14 N 1.33 3.61 0.20 2.13 3.76 -1.26 -4.99 115.29 120.06 1wfg s HIS 14 Ca 0.00 0.64 0.10 0.00 -0.15 0.00 0.00 55.06 55.65 1wfg s HIS 14 Cb 0.00 -2.03 0.21 0.00 1.11 0.00 0.00 32.58 31.87 1wfg s HIS 14 CO 0.00 0.64 1.52 -1.00 -0.85 0.00 0.00 174.74 175.05 1wfg h PRO 15 N 4.31 0.00 -6.15 8.40 0.13 -1.93 -3.44 132.00 133.33 1wfg h PRO 15 Ca -0.51 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.95 1wfg h PRO 15 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1wfg h PRO 15 CO 0.64 0.70 -0.64 0.14 -0.23 0.00 0.00 178.00 178.61 1wfg s VAL 16 N -3.31 4.21 -0.14 1.56 -7.23 -1.26 -2.18 120.40 112.05 1wfg s VAL 16 Ca -0.00 -0.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 1wfg s VAL 16 Cb 0.11 -2.89 0.07 0.00 0.56 0.00 0.00 36.38 34.23 1wfg s VAL 16 CO 0.77 0.36 0.29 0.42 -0.31 0.00 0.00 175.10 176.64 1wfg s THR 17 N -1.11 -0.37 -0.36 5.32 -4.23 0.14 -4.98 115.64 110.05 1wfg s THR 17 Ca 0.20 0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.87 1wfg s THR 17 Cb -0.12 -0.48 0.04 0.00 1.34 0.00 0.00 72.50 73.29 1wfg s THR 17 CO 0.11 0.10 0.15 0.26 -0.54 0.00 0.00 174.62 174.69 1wfg s TRP 18 N 2.20 3.26 0.05 3.99 0.52 -1.26 0.44 118.94 128.13 1wfg s TRP 18 Ca -0.02 -1.33 0.04 0.00 0.02 0.00 0.00 56.10 54.81 1wfg s TRP 18 Cb -0.12 -2.39 -0.02 0.00 -1.15 0.00 0.00 33.47 29.79 1wfg s TRP 18 CO -0.09 -0.72 -0.12 -0.65 0.02 0.00 0.00 176.95 175.38 1wfg s GLN 19 N 1.44 0.78 0.66 4.98 1.11 0.13 -4.98 119.66 123.78 1wfg s GLN 19 Ca -0.00 -0.77 -0.12 0.00 0.01 0.00 0.00 55.36 54.47 1wfg s GLN 19 Cb -0.20 -0.74 -0.01 0.00 -1.01 0.00 0.00 33.01 31.05 1wfg s GLN 19 CO 0.04 0.17 1.06 -1.25 0.01 0.00 0.00 175.29 175.32 1wfg s PRO 20 N -1.32 3.07 0.89 2.91 0.04 -1.26 0.19 135.00 139.52 1wfg s PRO 20 Ca -0.02 1.02 -0.15 0.00 0.04 0.00 0.00 61.00 61.89 1wfg s PRO 20 Cb -0.08 -2.01 0.22 0.00 0.04 0.00 0.00 34.50 32.67 1wfg s PRO 20 CO 0.01 -1.00 0.87 0.43 0.04 0.00 0.00 177.00 177.36 1wfg n SER 21 N -2.79 -1.40 -0.11 6.66 7.64 0.94 -4.63 113.62 119.92 1wfg n SER 21 Ca 0.08 -1.09 -0.05 0.00 1.01 0.00 0.00 58.87 58.82 1wfg n SER 21 Cb 0.53 -0.76 0.02 0.00 -1.01 0.00 0.00 64.21 62.99 1wfg n SER 21 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfg h LYS 22 N 0.00 0.06 0.36 1.43 1.63 -1.97 -2.83 116.57 115.24 1wfg h LYS 22 Ca -0.31 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.46 1wfg h LYS 22 Cb 0.94 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1wfg h LYS 22 CO 0.21 0.04 -0.17 -0.44 -3.45 0.00 0.00 179.45 175.64 1wfg h ASP 23 N 0.06 -0.40 0.00 4.20 5.19 -1.92 -3.48 116.42 120.06 1wfg h ASP 23 Ca 0.19 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1wfg h ASP 23 Cb 0.27 0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1wfg h ASP 23 CO -0.35 0.04 0.00 0.61 -3.12 0.00 0.00 179.24 176.42 1wfg n GLY 24 N 0.14 1.07 0.38 2.75 0.00 -1.07 -4.93 105.19 103.52 1wfg n GLY 24 Ca -0.08 -0.14 0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.23 1.61 3.32 -1.93 -3.40 116.42 114.78 1wfg h ASP 25 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1wfg h ASP 25 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 1wfg h ASP 25 CO 0.00 0.00 -0.62 -0.13 -1.72 0.00 0.00 179.24 176.77 1wfg s ARG 26 N -4.68 2.81 -0.23 3.56 1.81 -1.26 0.80 118.95 121.75 1wfg s ARG 26 Ca -0.04 -0.70 -0.01 0.00 -1.72 0.00 0.00 55.73 53.26 1wfg s ARG 26 Cb 0.16 -2.69 0.03 0.00 -0.45 0.00 0.00 34.95 32.00 1wfg s ARG 26 CO 0.57 0.57 -0.10 -1.17 -0.68 0.00 0.00 175.30 174.50 1wfg s LEU 27 N -2.24 2.95 -0.30 2.53 1.98 0.53 -0.04 118.68 124.09 1wfg s LEU 27 Ca 0.27 -0.85 -0.15 0.00 -2.89 0.00 0.00 54.13 50.51 1wfg s LEU 27 Cb -0.12 -1.61 -0.03 0.00 0.66 0.00 0.00 46.19 45.09 1wfg s LEU 27 CO 0.19 -0.10 0.37 -0.63 -1.89 0.00 0.00 176.35 174.30 1wfg s ILE 28 N 1.30 5.17 -0.19 6.68 -1.09 0.50 -0.24 121.20 133.33 1wfg s ILE 28 Ca 0.01 0.37 -0.03 0.00 -2.23 0.00 0.00 60.65 58.76 1wfg s ILE 28 Cb -0.16 -3.75 -0.01 0.00 -1.58 0.00 0.00 42.46 36.96 1wfg s ILE 28 CO -0.06 0.05 -0.07 -0.83 -1.23 0.00 0.00 174.94 172.80 1wfg s GLY 29 N 1.69 1.61 -0.32 6.18 0.00 0.46 0.19 107.32 117.13 1wfg s GLY 29 Ca 0.14 -1.04 -0.03 0.00 0.00 0.00 0.00 44.72 43.79 1wfg s GLY 29 CO 0.11 0.19 0.04 0.50 0.00 0.00 0.00 173.10 173.94 1wfg s ARG 30 N 1.00 2.42 0.09 2.90 0.52 0.17 0.14 118.95 126.20 1wfg s ARG 30 Ca -0.00 -1.31 0.01 0.00 -0.52 0.00 0.00 55.73 53.92 1wfg s ARG 30 Cb -0.15 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 1wfg s ARG 30 CO -0.00 -0.67 0.21 0.42 0.02 0.00 0.00 175.30 175.27 1wfg s ILE 31 N 1.27 5.19 -0.02 1.52 1.09 -0.50 0.23 121.20 129.98 1wfg s ILE 31 Ca -0.03 -0.57 -0.01 0.00 -1.10 0.00 0.00 60.65 58.94 1wfg s ILE 31 Cb -0.20 -3.57 0.01 0.00 -1.06 0.00 0.00 42.46 37.63 1wfg s ILE 31 CO -0.01 0.06 0.04 -0.22 -0.10 0.00 0.00 174.94 174.72 1wfg s LEU 32 N -2.72 1.70 0.03 2.97 1.98 -0.93 0.21 118.68 121.93 1wfg s LEU 32 Ca 0.34 0.08 0.04 0.00 -2.89 0.00 0.00 54.13 51.70 1wfg s LEU 32 Cb -0.12 0.12 -0.02 0.00 0.66 0.00 0.00 46.19 46.83 1wfg s LEU 32 CO 0.27 -0.03 -0.11 -0.76 -1.89 0.00 0.00 176.35 173.83 1wfg s LEU 33 N 0.20 2.15 0.37 -0.68 1.43 0.95 -4.64 118.68 118.46 1wfg s LEU 33 Ca -0.02 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 1wfg s LEU 33 Cb -0.02 -0.44 -0.06 0.00 0.03 0.00 0.00 46.19 45.69 1wfg s LEU 33 CO -0.01 -0.00 0.04 0.21 0.23 0.00 0.00 176.35 176.81 1wfg s ASN 34 N -0.98 4.12 0.00 2.29 3.84 -1.26 0.19 114.94 123.14 1wfg s ASN 34 Ca -0.01 -1.11 0.00 0.00 0.21 0.00 0.00 52.86 51.95 1wfg s ASN 34 Cb -0.07 -0.47 0.00 0.00 -0.55 0.00 0.00 41.25 40.16 1wfg s ASN 34 CO 0.01 -0.34 0.00 0.29 -2.79 0.00 0.00 177.10 174.27 1wfg n LYS 35 N -1.00 0.00 -1.08 0.43 5.02 0.98 -4.92 118.16 117.60 1wfg n LYS 35 Ca -0.04 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.79 1wfg n LYS 35 Cb 0.64 -0.31 -0.08 0.00 -0.02 0.00 0.00 35.03 35.26 1wfg n LYS 35 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wfg n ARG 36 N -2.35 0.00 -0.04 1.97 1.74 -1.24 -4.75 116.66 111.98 1wfg n ARG 36 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1wfg n ARG 36 Cb 0.14 -1.09 0.03 0.00 -1.02 0.00 0.00 32.46 30.52 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 4.22 0.00 -0.12 0.55 4.77 -0.27 -4.55 117.00 121.60 1wfg n LEU 37 Ca 0.32 -0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 1wfg n LEU 37 Cb -0.04 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1wfg n LEU 37 CO 0.64 -1.51 0.99 0.50 -1.33 0.00 0.00 177.39 176.69 1wfg h LYS 38 N 0.00 0.40 -0.77 3.23 1.63 -1.89 -1.60 116.57 117.57 1wfg h LYS 38 Ca -0.03 -0.02 0.12 0.00 -0.85 0.00 0.00 60.65 59.86 1wfg h LYS 38 Cb 0.12 -0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.57 1wfg h LYS 38 CO 0.02 0.27 0.38 0.22 -3.45 0.00 0.00 179.45 176.89 1wfg h ASP 39 N 0.42 0.46 0.00 4.20 1.82 -2.00 -3.46 116.42 117.86 1wfg h ASP 39 Ca 0.16 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1wfg h ASP 39 Cb 0.05 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1wfg h ASP 39 CO -0.10 0.22 0.00 0.61 -1.61 0.00 0.00 179.24 178.37 1wfg n GLY 40 N -1.32 0.80 3.55 -0.78 0.00 -0.60 -5.15 105.19 101.70 1wfg n GLY 40 Ca 0.14 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.36 -0.67 0.03 1.61 0.01 -1.26 -4.84 113.70 108.22 1wfg s SER 41 Ca 0.00 1.21 -0.27 0.00 1.31 0.00 0.00 55.95 58.19 1wfg s SER 41 Cb 0.00 1.20 -0.05 0.00 0.21 0.00 0.00 66.02 67.38 1wfg s SER 41 CO 0.00 -0.29 0.87 -0.69 0.41 0.00 0.00 173.24 173.53 1wfg s VAL 42 N 0.08 4.75 0.59 3.43 1.01 -1.26 -1.12 120.40 127.87 1wfg s VAL 42 Ca -0.02 1.84 -0.10 0.00 0.00 0.00 0.00 61.98 63.70 1wfg s VAL 42 Cb -0.04 -4.22 0.14 0.00 0.00 0.00 0.00 36.38 32.27 1wfg s VAL 42 CO 0.02 0.28 0.65 -0.81 0.00 0.00 0.00 175.10 175.24 1wfg n PRO 43 N 3.24 -1.40 -0.44 2.72 -0.04 -1.26 -4.86 135.00 132.96 1wfg n PRO 43 Ca 0.01 -1.01 0.36 0.00 -0.04 0.00 0.00 63.50 62.82 1wfg n PRO 43 Cb 0.50 -0.80 0.64 0.00 -0.04 0.00 0.00 33.50 33.81 1wfg n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wfg h ARG 44 N 0.00 0.10 0.00 0.54 -0.00 -2.03 -3.38 114.38 109.62 1wfg h ARG 44 Ca -0.22 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.25 1wfg h ARG 44 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.60 1wfg h ARG 44 CO 0.15 0.07 0.00 -0.40 0.00 0.00 0.00 179.97 179.79 1wfg n ASP 45 N -4.69 0.00 -2.30 7.04 5.75 -1.26 -5.03 116.55 116.05 1wfg n ASP 45 Ca 0.36 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.95 1wfg n ASP 45 Cb 1.40 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 41.36 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 0.00 5.98 -2.80 -1.12 2.88 -1.26 -4.68 113.62 112.63 1wfg n SER 46 Ca 0.00 -2.69 -0.04 0.00 -1.33 0.00 0.00 58.87 54.81 1wfg n SER 46 Cb 0.00 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 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 2.18 -1.20 0.32 0.46 0.00 -1.26 -4.70 105.19 100.99 1wfg n GLY 47 Ca 0.49 0.78 0.13 0.00 0.00 0.00 0.00 46.02 47.42 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 1.13 1.49 0.00 4.61 0.00 -1.85 1.66 119.26 126.30 1wfg h ALA 48 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wfg h ALA 48 Cb 0.95 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wfg h ALA 48 CO 0.22 -0.28 0.02 -1.33 0.00 0.00 0.00 179.25 177.88 1wfg n MET 49 N -4.98 0.12 0.00 0.00 2.81 -1.26 -4.79 117.12 109.01 1wfg n MET 49 Ca 0.22 0.61 0.00 0.00 -1.81 0.00 0.00 57.70 56.72 1wfg n MET 49 Cb 0.64 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 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 -2.13 0.00 0.00 4.03 4.32 0.57 -2.67 117.00 121.12 1wfg n LEU 50 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1wfg n LEU 50 Cb 0.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1wfg n LEU 50 CO 0.08 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.86 1wfg n GLY 51 N 0.00 0.00 3.45 -0.72 0.00 -1.26 -3.50 105.19 103.16 1wfg n GLY 51 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.11 0.07 0.99 0.05 -1.09 0.19 118.68 118.78 1wfg s LEU 52 Ca 0.00 -0.27 0.08 0.00 0.05 0.00 0.00 54.13 54.00 1wfg s LEU 52 Cb 0.00 2.28 -0.03 0.00 -2.05 0.00 0.00 46.19 46.39 1wfg s LEU 52 CO 0.00 -0.99 -0.22 -0.75 -0.55 0.00 0.00 176.35 173.84 1wfg s LYS 53 N -3.81 1.36 0.01 1.48 2.36 0.86 -4.93 119.74 117.08 1wfg s LYS 53 Ca 0.05 -1.07 0.01 0.00 -2.55 0.00 0.00 55.97 52.41 1wfg s LYS 53 Cb -0.01 -1.57 -0.01 0.00 -1.05 0.00 0.00 37.83 35.20 1wfg s LYS 53 CO -0.08 0.39 -0.05 0.08 1.55 0.00 0.00 175.35 177.23 1wfg s VAL 54 N -0.93 0.37 -0.22 4.02 1.01 -1.26 -2.43 120.40 120.95 1wfg s VAL 54 Ca 0.08 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1wfg s VAL 54 Cb -0.09 -0.37 0.05 0.00 0.00 0.00 0.00 36.38 35.97 1wfg s VAL 54 CO 0.03 -0.09 -0.09 -0.69 0.00 0.00 0.00 175.10 174.25 1wfg s VAL 55 N -0.58 1.72 0.33 2.92 1.01 -0.12 -4.92 120.40 120.76 1wfg s VAL 55 Ca -0.03 -1.19 0.05 0.00 0.00 0.00 0.00 61.98 60.82 1wfg s VAL 55 Cb -0.05 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.54 1wfg s VAL 55 CO -0.00 0.07 0.44 0.61 0.00 0.00 0.00 175.10 176.22 1wfg n GLY 56 N 4.63 1.99 2.57 4.51 0.00 -1.26 -1.57 105.19 116.06 1wfg n GLY 56 Ca -0.14 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.58 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 1.03 1.14 3.65 -0.02 0.00 -1.22 -3.82 105.19 105.95 1wfg n GLY 57 Ca 0.09 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.78 4.13 -0.41 1.61 2.20 -1.23 -4.67 119.74 118.58 1wfg s LYS 58 Ca 0.00 1.58 -0.28 0.00 -0.36 0.00 0.00 55.97 56.91 1wfg s LYS 58 Cb 0.00 -3.81 0.02 0.00 -1.51 0.00 0.00 37.83 32.53 1wfg s LYS 58 CO 0.00 -0.84 1.06 1.41 -0.36 0.00 0.00 175.35 176.61 1wfg s MET 59 N 3.74 3.82 0.00 4.03 1.75 -1.26 -2.84 119.30 128.54 1wfg s MET 59 Ca 0.57 0.66 0.00 0.00 -1.25 0.00 0.00 55.69 55.67 1wfg s MET 59 Cb -0.21 -3.84 0.00 0.00 2.84 0.00 0.00 34.83 33.62 1wfg s MET 59 CO 0.18 -1.15 0.00 0.25 -0.65 0.00 0.00 175.02 173.65 1wfg n THR 60 N 6.36 0.00 1.28 10.11 -2.24 -0.28 -4.95 114.28 124.56 1wfg n THR 60 Ca 0.10 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 1wfg n THR 60 Cb 0.48 -1.91 0.34 0.00 -2.10 0.00 0.00 70.33 67.14 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 -0.05 1.92 -0.18 -0.78 0.28 -1.26 -3.72 120.64 116.85 1wfg n GLU 61 Ca 0.00 -1.36 0.05 0.00 -0.16 0.00 0.00 57.16 55.69 1wfg n GLU 61 Cb 0.00 -1.47 0.14 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 0.65 2.90 -0.34 -1.84 7.64 -1.26 -4.94 113.62 116.43 1wfg n SER 62 Ca 0.17 -2.15 -0.04 0.00 1.01 0.00 0.00 58.87 57.85 1wfg n SER 62 Cb 0.46 -0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.19 0.65 3.96 0.23 0.00 -1.24 -4.99 105.19 103.98 1wfg n GLY 63 Ca 0.11 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.80 3.39 -0.07 1.61 0.52 -1.26 -4.85 118.95 116.48 1wfg s ARG 64 Ca 0.00 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 54.67 1wfg s ARG 64 Cb 0.00 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.70 1wfg s ARG 64 CO 0.00 0.20 -0.16 -0.51 0.02 0.00 0.00 175.30 174.85 1wfg s LEU 65 N -4.20 2.62 -0.06 2.53 1.43 -1.26 -1.13 118.68 118.61 1wfg s LEU 65 Ca 0.39 -0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 53.01 1wfg s LEU 65 Cb -0.09 -1.54 0.04 0.00 0.03 0.00 0.00 46.19 44.63 1wfg s LEU 65 CO 0.33 0.28 0.44 0.00 0.23 0.00 0.00 176.35 177.63 1wfg s ALA 67 N -0.95 3.53 -0.01 0.00 0.00 -1.26 -3.57 121.76 119.51 1wfg s ALA 67 Ca -0.10 -0.23 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 1wfg s ALA 67 Cb -0.03 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1wfg s ALA 67 CO 0.05 0.48 0.10 -0.06 0.00 0.00 0.00 175.76 176.33 1wfg s PHE 68 N -1.85 0.01 0.12 0.00 0.08 -0.61 -2.87 117.98 112.87 1wfg s PHE 68 Ca 0.48 -0.03 -0.30 0.00 0.12 0.00 0.00 56.93 57.20 1wfg s PHE 68 Cb -0.11 -0.04 -0.07 0.00 -0.57 0.00 0.00 43.02 42.23 1wfg s PHE 68 CO 0.21 -0.19 1.24 0.42 -0.10 0.00 0.00 175.22 176.80 1wfg s ILE 69 N -0.86 3.68 -0.20 0.64 1.01 -1.11 -0.95 121.20 123.42 1wfg s ILE 69 Ca -0.09 1.28 -0.02 0.00 0.00 0.00 0.00 60.65 61.82 1wfg s ILE 69 Cb -0.05 -3.82 -0.12 0.00 0.01 0.00 0.00 42.46 38.48 1wfg s ILE 69 CO 0.01 0.14 -0.20 0.35 0.00 0.00 0.00 174.94 175.24 1wfg n THR 70 N 3.38 1.12 -3.75 2.92 -2.24 -1.02 -2.28 114.28 112.41 1wfg n THR 70 Ca 0.08 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 1wfg n THR 70 Cb 0.45 -1.35 -0.08 0.00 -2.10 0.00 0.00 70.33 67.25 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 -2.39 0.75 -0.04 -0.78 2.20 -1.26 -4.68 119.74 113.55 1wfg s LYS 71 Ca -0.27 -0.37 0.03 0.00 -0.36 0.00 0.00 55.97 54.99 1wfg s LYS 71 Cb 0.08 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.74 1wfg s LYS 71 CO 0.43 -0.23 -0.11 0.08 -0.36 0.00 0.00 175.35 175.16 1wfg s VAL 72 N -2.04 0.98 0.09 4.02 1.01 -1.26 -0.09 120.40 123.09 1wfg s VAL 72 Ca -0.09 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 1wfg s VAL 72 Cb -0.03 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.39 1wfg s VAL 72 CO -0.00 0.31 1.62 -0.75 0.00 0.00 0.00 175.10 176.28 1wfg s LYS 73 N 0.42 4.21 -0.56 2.72 2.47 0.49 -4.92 119.74 124.56 1wfg s LYS 73 Ca -0.08 2.32 -0.28 0.00 -1.56 0.00 0.00 55.97 56.37 1wfg s LYS 73 Cb -0.12 -3.50 0.03 0.00 -1.46 0.00 0.00 37.83 32.78 1wfg s LYS 73 CO 0.02 -0.70 1.17 0.21 0.16 0.00 0.00 175.35 176.21 1wfg s LYS 74 N 2.29 3.54 0.00 4.03 2.47 -1.26 -3.52 119.74 127.28 1wfg s LYS 74 Ca 0.73 0.27 0.00 0.00 -1.56 0.00 0.00 55.97 55.41 1wfg s LYS 74 Cb -0.40 -4.00 0.00 0.00 -1.46 0.00 0.00 37.83 31.97 1wfg s LYS 74 CO 0.32 -1.62 0.00 0.41 0.16 0.00 0.00 175.35 174.62 1wfg n GLY 75 N 5.03 0.51 2.32 5.54 0.00 -1.26 -5.10 105.19 112.23 1wfg n GLY 75 Ca 0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.23 -0.57 0.01 1.61 7.64 -1.23 -4.95 113.62 115.90 1wfg n SER 76 Ca 0.00 -2.55 -0.01 0.00 1.01 0.00 0.00 58.87 57.32 1wfg n SER 76 Cb 0.13 1.28 -0.00 0.00 -1.01 0.00 0.00 64.21 64.61 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 -0.07 -6.10 -3.43 -0.00 -1.89 0.52 115.31 104.34 1wfg h LEU 77 Ca -0.17 0.01 -0.60 0.00 -0.00 0.00 0.00 57.88 57.11 1wfg h LEU 77 Cb 0.86 0.03 0.03 0.00 -0.00 0.00 0.00 40.66 41.58 1wfg h LEU 77 CO 0.25 -0.03 2.58 0.00 -0.00 0.00 0.00 178.44 181.24 1wfg n ALA 78 N -2.43 4.18 0.00 1.53 0.00 -1.26 -1.17 120.51 121.36 1wfg n ALA 78 Ca -0.00 -3.12 0.00 0.00 0.00 0.00 0.00 53.44 50.31 1wfg n ALA 78 Cb 0.02 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.00 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 6.35 0.00 0.07 0.00 2.03 -1.10 -4.34 116.55 119.55 1wfg n ASP 79 Ca 0.50 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.58 1wfg n ASP 79 Cb 0.33 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.58 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 1.12 0.00 5.18 1.35 0.31 -2.50 112.91 118.37 1wfg h THR 80 Ca 0.00 -2.53 -0.34 0.00 -0.55 0.00 0.00 66.41 62.99 1wfg h THR 80 Cb 0.00 2.88 -0.06 0.00 -1.73 0.00 0.00 68.15 69.24 1wfg h THR 80 CO 0.00 0.79 -2.27 1.33 -0.25 0.00 0.00 175.52 175.12 1wfg n VAL 81 N -3.78 1.28 0.09 6.82 0.24 -0.60 -4.56 118.33 117.82 1wfg n VAL 81 Ca -0.22 -0.57 -0.22 0.00 -2.04 0.00 0.00 64.34 61.30 1wfg n VAL 81 Cb 1.01 -1.09 -0.14 0.00 -1.47 0.00 0.00 33.84 32.14 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 2.23 0.52 -0.27 7.63 0.00 -1.35 -3.44 103.07 108.39 1wfg h GLY 82 Ca -0.50 -1.23 -0.12 0.00 0.00 0.00 0.00 47.33 45.49 1wfg h GLY 82 CO -0.05 1.08 -0.11 1.42 0.00 0.00 0.00 176.54 178.88 1wfg n HIS 83 N -3.94 0.00 -0.45 5.60 -0.00 -0.94 -4.74 115.22 110.75 1wfg n HIS 83 Ca -0.14 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.29 1wfg n HIS 83 Cb 0.93 -1.73 0.26 0.00 -0.00 0.00 0.00 29.99 29.45 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 -0.65 -1.80 -3.60 2.41 4.77 -1.26 -4.87 117.00 112.01 1wfg n LEU 84 Ca -0.06 -0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 55.50 1wfg n LEU 84 Cb 0.36 -1.16 -0.05 0.00 -2.33 0.00 0.00 43.42 40.24 1wfg n LEU 84 CO 0.09 -3.52 0.23 -0.13 -1.33 0.00 0.00 177.39 172.73 1wfg s ARG 85 N -4.33 1.04 -0.56 3.23 0.52 -1.26 -4.71 118.95 112.88 1wfg s ARG 85 Ca 0.67 -0.39 -0.28 0.00 -0.52 0.00 0.00 55.73 55.20 1wfg s ARG 85 Cb -0.22 0.47 0.01 0.00 0.52 0.00 0.00 34.95 35.72 1wfg s ARG 85 CO 0.64 -0.39 1.49 -1.25 0.02 0.00 0.00 175.30 175.82 1wfg s PRO 86 N -2.88 3.21 0.00 3.54 0.04 -1.26 -3.28 135.00 134.38 1wfg s PRO 86 Ca -0.03 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1wfg s PRO 86 Cb -0.00 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1wfg s PRO 86 CO -0.05 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.36 1wfg n GLY 87 N 5.33 1.40 3.04 0.56 0.00 -0.97 -4.92 105.19 109.64 1wfg n GLY 87 Ca 0.14 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.04 -3.63 1.61 8.00 -1.20 -4.75 116.55 112.54 1wfg n ASP 88 Ca 0.00 -0.85 -0.29 0.00 0.71 0.00 0.00 54.79 54.36 1wfg n ASP 88 Cb 0.00 -0.95 -0.15 0.00 -0.02 0.00 0.00 41.12 40.00 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 -5.00 0.40 -0.09 -1.24 2.12 -1.26 -2.76 118.70 110.87 1wfg s GLU 89 Ca 0.64 -0.68 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 1wfg s GLU 89 Cb -0.11 -1.56 -0.04 0.00 0.26 0.00 0.00 34.13 32.68 1wfg s GLU 89 CO 0.54 -0.96 1.41 0.54 -0.54 0.00 0.00 175.26 176.25 1wfg s VAL 90 N 1.92 3.94 -0.17 3.70 0.11 -1.14 -2.67 120.40 126.09 1wfg s VAL 90 Ca 0.08 1.19 -0.15 0.00 -2.93 0.00 0.00 61.98 60.18 1wfg s VAL 90 Cb -0.17 -3.77 -0.10 0.00 -1.53 0.00 0.00 36.38 30.82 1wfg s VAL 90 CO -0.29 -0.08 -0.02 0.18 -3.33 0.00 0.00 175.10 171.57 1wfg n LEU 91 N 6.41 1.83 -4.59 2.54 4.77 0.55 -4.02 117.00 124.49 1wfg n LEU 91 Ca 0.15 0.54 -0.25 0.00 -0.03 0.00 0.00 56.01 56.41 1wfg n LEU 91 Cb 0.44 -0.91 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 1wfg n LEU 91 CO 0.58 -0.14 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.51 1wfg s GLU 92 N -2.30 2.13 -0.32 3.23 2.02 -1.23 0.19 118.70 122.43 1wfg s GLU 92 Ca -0.21 -1.35 -0.02 0.00 0.02 0.00 0.00 54.97 53.40 1wfg s GLU 92 Cb 0.04 -2.14 0.11 0.00 0.10 0.00 0.00 34.13 32.24 1wfg s GLU 92 CO 0.38 0.40 0.15 -0.46 0.02 0.00 0.00 175.26 175.75 1wfg s TRP 93 N -2.00 0.78 -1.13 1.61 -0.11 0.35 -2.60 118.94 115.84 1wfg s TRP 93 Ca 0.28 -1.31 0.00 0.00 1.22 0.00 0.00 56.10 56.29 1wfg s TRP 93 Cb -0.08 -1.12 0.00 0.00 -1.50 0.00 0.00 33.47 30.77 1wfg s TRP 93 CO 0.17 -0.84 0.00 0.09 -4.62 0.00 0.00 176.95 171.75 1wfg n ASN 94 N 4.79 -4.11 0.00 5.86 3.02 0.59 -1.73 115.26 123.68 1wfg n ASN 94 Ca -0.00 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1wfg n ASN 94 Cb 0.40 -2.98 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 1wfg n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wfg n GLY 95 N -1.28 1.31 3.63 7.41 0.00 -1.26 -4.90 105.19 110.10 1wfg n GLY 95 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.88 4.06 0.16 1.61 1.81 -0.71 -5.01 118.95 119.99 1wfg s ARG 96 Ca 0.00 0.87 -0.30 0.00 -1.72 0.00 0.00 55.73 54.58 1wfg s ARG 96 Cb 0.00 -3.71 -0.08 0.00 -0.45 0.00 0.00 34.95 30.72 1wfg s ARG 96 CO 0.00 -0.70 1.24 -1.17 -0.68 0.00 0.00 175.30 173.99 1wfg s LEU 97 N 3.15 4.42 -0.06 2.53 2.96 -1.26 0.13 118.68 130.56 1wfg s LEU 97 Ca 0.38 2.23 0.21 0.00 -0.22 0.00 0.00 54.13 56.73 1wfg s LEU 97 Cb -0.14 -3.60 -0.30 0.00 0.50 0.00 0.00 46.19 42.65 1wfg s LEU 97 CO 0.12 -0.45 0.42 0.18 -1.32 0.00 0.00 176.35 175.30 1wfg n LEU 98 N 2.96 0.05 -4.68 -0.68 4.77 0.51 -4.73 117.00 115.21 1wfg n LEU 98 Ca 0.06 0.02 -0.48 0.00 -0.03 0.00 0.00 56.01 55.59 1wfg n LEU 98 Cb 0.44 0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1wfg n LEU 98 CO 0.56 0.10 1.50 0.00 -1.33 0.00 0.00 177.39 178.23 1wfg n GLN 99 N -2.40 2.23 0.00 3.23 6.02 -1.23 -0.22 117.38 125.02 1wfg n GLN 99 Ca -0.10 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1wfg n GLN 99 Cb 0.70 -2.67 0.00 0.00 1.02 0.00 0.00 30.24 29.29 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 4.42 2.74 3.69 1.08 0.00 0.50 -4.97 105.19 112.65 1wfg n GLY 100 Ca 0.22 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 0.89 -1.95 4.61 0.00 0.70 -4.63 120.51 120.12 1wfg n ALA 101 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 53.44 53.24 1wfg n ALA 101 Cb 0.00 -2.25 0.08 0.00 0.00 0.00 0.00 19.45 17.29 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 -1.39 2.29 0.27 0.00 -4.23 -1.26 -3.42 115.64 107.90 1wfg s THR 102 Ca 0.76 -0.37 -0.00 0.00 -1.18 0.00 0.00 61.69 60.90 1wfg s THR 102 Cb -0.41 -2.92 0.26 0.00 1.34 0.00 0.00 72.50 70.77 1wfg s THR 102 CO 0.46 0.00 1.69 0.15 -0.54 0.00 0.00 174.62 176.39 1wfg h PHE 103 N -0.58 0.49 0.54 3.99 3.57 -1.83 0.09 116.94 123.21 1wfg h PHE 103 Ca -0.43 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.09 1wfg h PHE 103 Cb 1.30 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.96 1wfg h PHE 103 CO 0.11 -0.05 -0.26 0.93 -2.23 0.00 0.00 178.31 176.80 1wfg h GLU 104 N 0.35 -0.70 -0.98 1.11 5.08 -1.93 -2.35 114.58 115.17 1wfg h GLU 104 Ca 0.49 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 59.03 1wfg h GLU 104 Cb 0.89 0.16 -0.14 0.00 0.50 0.00 0.00 28.75 30.16 1wfg h GLU 104 CO -0.52 -0.47 -0.47 0.39 -1.00 0.00 0.00 179.01 176.95 1wfg n GLU 105 N -4.58 -0.32 -0.24 2.33 1.02 -0.90 0.15 120.64 118.10 1wfg n GLU 105 Ca -0.09 1.49 0.04 0.00 -0.02 0.00 0.00 57.16 58.59 1wfg n GLU 105 Cb 0.29 -2.21 0.16 0.00 -0.02 0.00 0.00 31.44 29.66 1wfg n GLU 105 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wfg h VAL 106 N 0.00 0.56 0.57 2.62 2.07 -1.04 0.23 116.25 121.26 1wfg h VAL 106 Ca 0.26 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 1wfg h VAL 106 Cb 0.51 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1wfg h VAL 106 CO -0.95 0.05 -0.27 0.22 0.02 0.00 0.00 177.57 176.64 1wfg h TYR 107 N 0.28 -0.71 -0.89 1.57 5.03 0.19 -2.93 116.97 119.51 1wfg h TYR 107 Ca 0.39 -0.02 0.20 0.00 2.58 0.00 0.00 58.73 61.89 1wfg h TYR 107 Cb 0.64 0.23 -0.16 0.00 1.55 0.00 0.00 36.73 38.99 1wfg h TYR 107 CO -0.25 -0.38 -0.09 -0.91 -1.32 0.00 0.00 178.16 175.20 1wfg h ASN 108 N -0.97 -0.60 0.00 -2.11 2.35 0.13 0.42 115.58 114.80 1wfg h ASN 108 Ca -0.08 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1wfg h ASN 108 Cb 0.65 0.48 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1wfg h ASN 108 CO 0.13 -0.28 0.00 -0.38 -1.65 0.00 0.00 177.43 175.25 1wfg n ILE 109 N -5.49 0.00 -0.52 2.81 5.41 -0.00 0.11 119.36 121.69 1wfg n ILE 109 Ca 0.16 1.30 0.44 0.00 1.00 0.00 0.00 62.75 65.65 1wfg n ILE 109 Cb 0.55 -2.01 0.73 0.00 -0.71 0.00 0.00 39.64 38.20 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 0.08 0.28 1.39 2.04 -1.11 0.45 117.51 120.64 1wfg h ILE 110 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1wfg h ILE 110 Cb 0.00 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1wfg h ILE 110 CO 0.00 0.00 -0.13 0.25 0.00 0.00 0.00 178.15 178.27 1wfg h LEU 111 N 0.00 -0.32 -1.78 1.44 6.46 0.17 -3.14 115.31 118.15 1wfg h LEU 111 Ca 0.76 0.01 0.16 0.00 -0.12 0.00 0.00 57.88 58.69 1wfg h LEU 111 Cb 3.27 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 43.26 1wfg h LEU 111 CO -0.01 -0.04 0.62 -0.33 -0.62 0.00 0.00 178.44 178.06 1wfg h GLU 112 N -0.75 0.00 -0.89 1.25 5.08 0.52 1.47 114.58 121.26 1wfg h GLU 112 Ca -0.04 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1wfg h GLU 112 Cb 0.29 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.43 1wfg h GLU 112 CO 0.06 0.00 0.22 0.43 -1.00 0.00 0.00 179.01 178.72 1wfg n SER 113 N -3.59 3.63 -0.02 1.42 7.64 0.38 -4.23 113.62 118.85 1wfg n SER 113 Ca 0.11 -2.78 -0.13 0.00 1.01 0.00 0.00 58.87 57.07 1wfg n SER 113 Cb 0.83 -0.66 -0.10 0.00 -1.01 0.00 0.00 64.21 63.26 1wfg n SER 113 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1wfg h LYS 114 N 1.39 0.01 0.00 1.43 1.57 0.21 -3.17 116.57 118.01 1wfg h LYS 114 Ca 0.21 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1wfg h LYS 114 Cb 1.80 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.11 1wfg h LYS 114 CO 0.50 0.57 -0.08 -1.00 -0.57 0.00 0.00 179.45 178.87 1wfg h PRO 115 N -0.56 0.00 -6.06 3.15 0.13 -1.79 -3.44 132.00 123.44 1wfg h PRO 115 Ca 0.00 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.42 1wfg h PRO 115 Cb 0.57 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.78 1wfg h PRO 115 CO 0.00 0.08 -0.18 0.39 -0.23 0.00 0.00 178.00 178.05 1wfg n GLU 116 N -3.15 0.19 0.13 0.86 1.02 -1.20 -4.84 120.64 113.65 1wfg n GLU 116 Ca 0.02 0.07 -0.01 0.00 -0.02 0.00 0.00 57.16 57.22 1wfg n GLU 116 Cb 0.45 -1.33 0.12 0.00 -0.02 0.00 0.00 31.44 30.66 1wfg n GLU 116 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wfg h PRO 117 N 2.09 0.00 -4.99 3.49 0.13 -1.89 -3.46 132.00 127.37 1wfg h PRO 117 Ca -0.39 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.30 1wfg h PRO 117 Cb 1.42 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.41 1wfg h PRO 117 CO 0.62 0.64 -0.57 1.14 -0.23 0.00 0.00 178.00 179.60 1wfg s GLN 118 N -3.32 1.63 -0.26 0.86 -2.07 -1.26 -0.01 119.66 115.23 1wfg s GLN 118 Ca 0.00 -1.93 -0.02 0.00 -1.82 0.00 0.00 55.36 51.59 1wfg s GLN 118 Cb 0.11 -0.42 0.11 0.00 -1.09 0.00 0.00 33.01 31.73 1wfg s GLN 118 CO 0.76 -0.36 0.24 0.08 -1.32 0.00 0.00 175.29 174.69 1wfg s VAL 119 N -3.49 -0.32 -0.26 3.63 1.01 0.51 -4.92 120.40 116.56 1wfg s VAL 119 Ca 0.34 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 1wfg s VAL 119 Cb 0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1wfg s VAL 119 CO 0.15 -0.41 0.34 -0.70 0.00 0.00 0.00 175.10 174.48 1wfg s GLU 120 N 2.31 4.03 0.33 2.72 2.12 -1.26 -0.04 118.70 128.92 1wfg s GLU 120 Ca 0.08 -0.01 0.08 0.00 0.36 0.00 0.00 54.97 55.48 1wfg s GLU 120 Cb -0.15 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 1wfg s GLU 120 CO -0.26 -0.20 0.26 -0.51 -0.54 0.00 0.00 175.26 174.02 1wfg s LEU 121 N 1.84 3.54 -0.25 2.70 1.43 0.57 0.22 118.68 128.73 1wfg s LEU 121 Ca 0.14 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1wfg s LEU 121 Cb -0.15 -2.13 0.12 0.00 0.03 0.00 0.00 46.19 44.06 1wfg s LEU 121 CO 0.09 -0.34 0.30 -0.69 0.23 0.00 0.00 176.35 175.94 1wfg s VAL 122 N -2.32 -0.44 0.02 -1.59 1.01 -1.07 -1.41 120.40 114.60 1wfg s VAL 122 Ca 0.40 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1wfg s VAL 122 Cb -0.05 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1wfg s VAL 122 CO 0.26 -0.30 0.02 0.68 0.00 0.00 0.00 175.10 175.76 1wfg s VAL 123 N 2.40 4.23 -0.25 2.92 -7.23 0.38 0.21 120.40 123.06 1wfg s VAL 123 Ca 0.09 -0.66 -0.01 0.00 -1.81 0.00 0.00 61.98 59.60 1wfg s VAL 123 Cb -0.15 -2.93 0.08 0.00 0.56 0.00 0.00 36.38 33.94 1wfg s VAL 123 CO -0.23 0.31 0.03 -0.55 -0.31 0.00 0.00 175.10 174.36 1wfg s SER 124 N -1.77 3.64 0.09 4.85 0.15 -1.09 0.18 113.70 119.75 1wfg s SER 124 Ca 0.22 -1.27 0.05 0.00 0.70 0.00 0.00 55.95 55.65 1wfg s SER 124 Cb -0.12 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.26 1wfg s SER 124 CO 0.13 -0.33 -0.01 0.00 1.20 0.00 0.00 173.24 174.23 1wfg s ARG 125 N 1.61 2.50 -0.23 5.44 1.70 0.67 -4.62 118.95 126.01 1wfg s ARG 125 Ca 0.02 -0.87 -0.24 0.00 -0.47 0.00 0.00 55.73 54.18 1wfg s ARG 125 Cb -0.18 -2.51 -0.01 0.00 -0.57 0.00 0.00 34.95 31.68 1wfg s ARG 125 CO -0.14 0.53 0.77 -1.54 -1.08 0.00 0.00 175.30 173.85 1wfg s SER 126 N -2.32 6.79 0.49 -2.89 1.04 -1.26 0.20 113.70 115.74 1wfg s SER 126 Ca 0.25 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1wfg s SER 126 Cb -0.12 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wfg s SER 126 CO 0.18 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1wfg n GLY 127 N 3.79 -3.07 0.00 7.32 0.00 0.24 -4.82 105.19 108.64 1wfg n GLY 127 Ca 0.04 -1.29 0.10 0.00 0.00 0.00 0.00 46.02 44.86 1wfg n GLY 127 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfg n PRO 128 N -0.89 0.75 0.07 1.61 -0.04 -1.26 -3.61 135.00 131.63 1wfg n PRO 128 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1wfg n PRO 128 Cb 0.00 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.03 1wfg n PRO 128 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wfg h SER 129 N 0.00 -0.18 -2.53 3.54 0.02 -1.88 -3.43 113.55 109.08 1wfg h SER 129 Ca 0.00 0.01 -0.54 0.00 -0.84 0.00 0.00 61.79 60.42 1wfg h SER 129 Cb 0.00 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1wfg h SER 129 CO 0.00 0.05 1.13 -0.55 -1.14 0.00 0.00 176.83 176.32 1wfg s SER 130 N -3.96 6.59 0.00 3.07 0.15 -1.24 -5.12 113.70 113.19 1wfg s SER 130 Ca -0.03 2.41 0.00 0.00 0.70 0.00 0.00 55.95 59.03 1wfg s SER 130 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1wfg s SER 130 CO 0.10 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.18