#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 -7.41 0.14 1.61 2.88 -1.26 -5.04 113.62 104.55 1wfg n SER 2 Ca 0.00 1.57 0.00 0.00 -1.33 0.00 0.00 58.87 59.11 1wfg n SER 2 Cb 0.00 -4.46 0.00 0.00 -0.75 0.00 0.00 64.21 59.00 1wfg n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfg n SER 3 N -3.02 -0.63 0.00 -3.46 2.88 -1.26 -5.05 113.62 103.08 1wfg n SER 3 Ca -0.03 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1wfg n SER 3 Cb 0.49 0.78 0.00 0.00 -0.75 0.00 0.00 64.21 64.74 1wfg n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfg n GLY 4 N 1.13 1.62 1.07 0.46 0.00 -1.26 -5.08 105.19 103.12 1wfg n GLY 4 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1wfg n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfg n SER 5 N -0.25 -5.79 -4.20 1.61 2.88 -1.26 -4.85 113.62 101.76 1wfg n SER 5 Ca 0.00 1.23 -0.37 0.00 -1.33 0.00 0.00 58.87 58.40 1wfg n SER 5 Cb 0.00 -3.33 0.04 0.00 -0.75 0.00 0.00 64.21 60.17 1wfg n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfg n SER 6 N -2.72 -4.10 -2.14 -3.46 7.64 -1.26 -4.45 113.62 103.14 1wfg n SER 6 Ca -0.02 0.42 -0.03 0.00 1.01 0.00 0.00 58.87 60.26 1wfg n SER 6 Cb 0.39 -0.90 -0.02 0.00 -1.01 0.00 0.00 64.21 62.66 1wfg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfg n GLY 7 N 2.69 -4.19 3.78 0.23 0.00 -1.26 -5.04 105.19 101.40 1wfg n GLY 7 Ca 0.04 0.75 -0.31 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.50 3.22 0.00 1.61 0.00 -1.26 -5.08 115.29 113.27 1wfg s HIS 8 Ca -0.13 0.11 0.00 0.00 -3.00 0.00 0.00 55.06 52.04 1wfg s HIS 8 Cb 0.01 -1.65 0.00 0.00 -4.00 0.00 0.00 32.58 26.93 1wfg s HIS 8 CO 0.46 0.53 0.00 0.43 -1.00 0.00 0.00 174.74 175.16 1wfg n SER 9 N 0.66 0.00 -4.09 7.38 7.64 -1.26 -5.19 113.62 118.76 1wfg n SER 9 Ca -0.10 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.69 1wfg n SER 9 Cb 0.52 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.63 1wfg n SER 9 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1wfg s HIS 10 N -0.89 0.71 -0.48 1.43 0.00 -1.26 -4.98 115.29 109.82 1wfg s HIS 10 Ca 0.00 -1.10 -0.25 0.00 -3.00 0.00 0.00 55.06 50.71 1wfg s HIS 10 Cb 0.00 -0.36 0.04 0.00 -4.00 0.00 0.00 32.58 28.25 1wfg s HIS 10 CO 0.00 -0.56 0.64 0.43 -1.00 0.00 0.00 174.74 174.25 1wfg n SER 11 N -0.11 -6.61 -3.36 7.38 7.64 -1.26 -4.97 113.62 112.32 1wfg n SER 11 Ca -0.07 0.08 -0.26 0.00 1.01 0.00 0.00 58.87 59.64 1wfg n SER 11 Cb 0.63 -3.42 -0.09 0.00 -1.01 0.00 0.00 64.21 60.32 1wfg n SER 11 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1wfg n ASP 12 N -0.48 0.31 -3.70 6.43 5.75 -1.26 -5.06 116.55 118.54 1wfg n ASP 12 Ca -0.01 -2.62 -0.27 0.00 -0.01 0.00 0.00 54.79 51.87 1wfg n ASP 12 Cb 0.58 -0.61 -0.17 0.00 -1.03 0.00 0.00 41.12 39.90 1wfg n ASP 12 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1wfg s LYS 13 N -0.67 0.47 -0.01 0.11 1.02 -1.26 -5.10 119.74 114.30 1wfg s LYS 13 Ca 0.33 -0.31 -0.31 0.00 0.02 0.00 0.00 55.97 55.71 1wfg s LYS 13 Cb 0.09 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.30 1wfg s LYS 13 CO -0.15 -0.64 1.96 -2.39 -0.92 0.00 0.00 175.35 173.21 1wfg n HIS 14 N 5.12 2.44 0.01 3.18 1.44 -1.26 -4.87 115.22 121.29 1wfg n HIS 14 Ca -0.08 -0.27 -0.18 0.00 -2.01 0.00 0.00 57.72 55.18 1wfg n HIS 14 Cb 0.48 -2.76 -0.10 0.00 0.12 0.00 0.00 29.99 27.73 1wfg n HIS 14 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1wfg h PRO 15 N 10.38 0.65 -6.03 -1.40 0.13 -1.95 -3.45 132.00 130.33 1wfg h PRO 15 Ca -0.49 -0.63 -0.61 0.00 -0.87 0.00 0.00 66.00 63.40 1wfg h PRO 15 Cb 1.25 0.16 -0.05 0.00 0.13 0.00 0.00 31.00 32.49 1wfg h PRO 15 CO 0.94 1.24 -0.52 0.14 -0.23 0.00 0.00 178.00 179.56 1wfg s VAL 16 N -3.45 5.09 -0.18 1.56 -7.23 -1.26 -2.89 120.40 112.05 1wfg s VAL 16 Ca -0.11 -0.59 -0.09 0.00 -1.81 0.00 0.00 61.98 59.38 1wfg s VAL 16 Cb 0.06 -3.51 0.07 0.00 0.56 0.00 0.00 36.38 33.56 1wfg s VAL 16 CO 0.89 0.07 0.41 0.42 -0.31 0.00 0.00 175.10 176.59 1wfg s THR 17 N -1.54 -0.19 -0.32 5.32 -4.23 0.14 -4.96 115.64 109.86 1wfg s THR 17 Ca 0.33 0.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.92 1wfg s THR 17 Cb -0.12 -0.63 0.05 0.00 1.34 0.00 0.00 72.50 73.14 1wfg s THR 17 CO 0.26 0.05 0.05 0.26 -0.54 0.00 0.00 174.62 174.70 1wfg s TRP 18 N 1.74 3.28 0.03 3.99 0.52 -1.26 0.13 118.94 127.37 1wfg s TRP 18 Ca -0.07 -1.75 0.02 0.00 0.02 0.00 0.00 56.10 54.31 1wfg s TRP 18 Cb -0.09 -2.23 -0.02 0.00 -1.15 0.00 0.00 33.47 29.98 1wfg s TRP 18 CO -0.13 -0.79 -0.06 -0.65 0.02 0.00 0.00 176.95 175.34 1wfg s GLN 19 N 1.30 0.46 0.65 4.98 1.11 0.20 -4.99 119.66 123.36 1wfg s GLN 19 Ca -0.03 -0.65 -0.13 0.00 0.01 0.00 0.00 55.36 54.56 1wfg s GLN 19 Cb -0.20 -0.21 -0.01 0.00 -1.01 0.00 0.00 33.01 31.58 1wfg s GLN 19 CO 0.00 0.03 1.05 -1.25 0.01 0.00 0.00 175.29 175.14 1wfg s PRO 20 N -1.37 3.14 1.16 2.91 0.04 -1.26 0.19 135.00 139.81 1wfg s PRO 20 Ca -0.10 1.05 -0.19 0.00 0.04 0.00 0.00 61.00 61.80 1wfg s PRO 20 Cb -0.09 -2.01 0.28 0.00 0.04 0.00 0.00 34.50 32.71 1wfg s PRO 20 CO 0.00 -0.95 1.17 -1.54 0.04 0.00 0.00 177.00 175.73 1wfg s SER 21 N -3.39 1.28 0.20 6.66 1.04 -0.91 -4.65 113.70 113.94 1wfg s SER 21 Ca 0.60 0.47 -0.15 0.00 0.48 0.00 0.00 55.95 57.35 1wfg s SER 21 Cb -0.14 -0.61 0.20 0.00 0.10 0.00 0.00 66.02 65.56 1wfg s SER 21 CO 0.47 -3.88 1.62 0.50 0.98 0.00 0.00 173.24 172.93 1wfg h LYS 22 N -2.42 -0.04 0.08 4.02 1.63 -1.97 -2.90 116.57 114.96 1wfg h LYS 22 Ca -0.44 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1wfg h LYS 22 Cb 1.27 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1wfg h LYS 22 CO 0.32 -0.03 -0.04 -0.44 -3.45 0.00 0.00 179.45 175.81 1wfg h ASP 23 N -0.05 -0.09 0.00 4.20 3.32 -1.94 -3.49 116.42 118.38 1wfg h ASP 23 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1wfg h ASP 23 Cb 0.47 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1wfg h ASP 23 CO -0.62 -0.03 0.00 0.61 -1.72 0.00 0.00 179.24 177.47 1wfg n GLY 24 N 0.21 1.30 0.31 2.75 0.00 -1.10 -4.97 105.19 103.68 1wfg n GLY 24 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.22 -1.95 1.61 3.32 -1.94 -3.42 116.42 114.26 1wfg h ASP 25 Ca 0.00 -0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.55 1wfg h ASP 25 Cb 0.00 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1wfg h ASP 25 CO 0.00 0.15 -0.46 -0.13 -1.72 0.00 0.00 179.24 177.08 1wfg s ARG 26 N -5.26 2.82 -0.25 3.56 1.81 -1.26 -0.78 118.95 119.59 1wfg s ARG 26 Ca -0.07 -1.20 0.01 0.00 -1.72 0.00 0.00 55.73 52.75 1wfg s ARG 26 Cb 0.18 -2.53 0.07 0.00 -0.45 0.00 0.00 34.95 32.22 1wfg s ARG 26 CO 0.71 0.18 -0.01 -1.17 -0.68 0.00 0.00 175.30 174.33 1wfg s LEU 27 N -3.96 2.65 -0.30 2.53 1.98 0.35 -2.15 118.68 119.77 1wfg s LEU 27 Ca 0.39 -1.32 -0.28 0.00 -2.89 0.00 0.00 54.13 50.03 1wfg s LEU 27 Cb -0.07 -1.14 0.01 0.00 0.66 0.00 0.00 46.19 45.66 1wfg s LEU 27 CO 0.26 -0.28 1.02 -0.63 -1.89 0.00 0.00 176.35 174.83 1wfg s ILE 28 N 1.41 4.59 -0.11 6.68 -1.09 0.49 -1.51 121.20 131.67 1wfg s ILE 28 Ca -0.01 1.70 0.01 0.00 -2.23 0.00 0.00 60.65 60.11 1wfg s ILE 28 Cb -0.19 -4.35 -0.02 0.00 -1.58 0.00 0.00 42.46 36.33 1wfg s ILE 28 CO -0.09 -0.38 -0.12 -0.83 -1.23 0.00 0.00 174.94 172.29 1wfg s GLY 29 N 1.56 1.57 -0.11 6.18 0.00 0.23 0.59 107.32 117.34 1wfg s GLY 29 Ca 0.43 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 44.27 1wfg s GLY 29 CO 0.13 -0.37 -0.22 0.50 0.00 0.00 0.00 173.10 173.15 1wfg s ARG 30 N -0.02 3.12 -0.22 2.90 0.52 0.36 0.15 118.95 125.76 1wfg s ARG 30 Ca -0.03 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 1wfg s ARG 30 Cb -0.14 -2.37 0.05 0.00 0.52 0.00 0.00 34.95 33.01 1wfg s ARG 30 CO 0.04 0.18 -0.06 0.42 0.02 0.00 0.00 175.30 175.90 1wfg s ILE 31 N 0.35 1.50 -0.10 1.52 1.09 -0.82 0.24 121.20 124.98 1wfg s ILE 31 Ca -0.17 -1.10 -0.02 0.00 -1.10 0.00 0.00 60.65 58.25 1wfg s ILE 31 Cb -0.18 -1.71 -0.03 0.00 -1.06 0.00 0.00 42.46 39.48 1wfg s ILE 31 CO 0.08 -0.02 -0.00 -0.22 -0.10 0.00 0.00 174.94 174.68 1wfg s LEU 32 N 1.43 3.54 0.06 2.97 1.98 -1.14 0.19 118.68 127.70 1wfg s LEU 32 Ca -0.04 0.10 0.09 0.00 -2.89 0.00 0.00 54.13 51.39 1wfg s LEU 32 Cb -0.18 -1.82 -0.03 0.00 0.66 0.00 0.00 46.19 44.82 1wfg s LEU 32 CO -0.07 0.33 -0.26 -0.76 -1.89 0.00 0.00 176.35 173.71 1wfg s LEU 33 N -0.61 2.19 -0.22 -0.68 2.01 -0.48 -4.56 118.68 116.33 1wfg s LEU 33 Ca 0.10 -0.61 -0.02 0.00 0.01 0.00 0.00 54.13 53.61 1wfg s LEU 33 Cb -0.12 -1.23 0.07 0.00 0.01 0.00 0.00 46.19 44.92 1wfg s LEU 33 CO 0.02 0.23 0.03 0.21 1.01 0.00 0.00 176.35 177.86 1wfg s ASN 34 N -1.37 3.27 0.00 2.29 2.47 -1.26 -1.83 114.94 118.50 1wfg s ASN 34 Ca 0.11 -1.03 0.20 0.00 0.42 0.00 0.00 52.86 52.57 1wfg s ASN 34 Cb -0.10 -0.73 0.12 0.00 -1.45 0.00 0.00 41.25 39.09 1wfg s ASN 34 CO 0.03 -0.32 1.09 2.29 -3.72 0.00 0.00 177.10 176.47 1wfg n LYS 35 N 4.96 1.71 -1.68 0.43 0.00 -1.13 -4.97 118.16 117.48 1wfg n LYS 35 Ca -0.08 -1.50 -0.45 0.00 -0.00 0.00 0.00 58.31 56.28 1wfg n LYS 35 Cb 0.46 -1.38 -0.04 0.00 -0.00 0.00 0.00 35.03 34.07 1wfg n LYS 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wfg n ARG 36 N 0.83 2.44 -0.38 -1.58 1.74 -1.23 -4.71 116.66 113.78 1wfg n ARG 36 Ca 0.11 0.89 -0.17 0.00 -0.77 0.00 0.00 57.85 57.90 1wfg n ARG 36 Cb 0.48 -2.73 0.17 0.00 -1.02 0.00 0.00 32.46 29.35 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 5.17 0.00 0.16 0.55 4.77 -0.38 -4.73 117.00 122.53 1wfg n LEU 37 Ca 0.19 -0.50 0.13 0.00 -0.03 0.00 0.00 56.01 55.80 1wfg n LEU 37 Cb 0.33 -0.73 0.43 0.00 -2.33 0.00 0.00 43.42 41.11 1wfg n LEU 37 CO 0.67 -2.42 0.88 0.11 -1.33 0.00 0.00 177.39 175.30 1wfg h LYS 38 N 0.00 0.00 -0.88 3.23 1.79 -1.92 -2.77 116.57 116.02 1wfg h LYS 38 Ca -0.22 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 57.82 1wfg h LYS 38 Cb 0.75 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.15 1wfg h LYS 38 CO 0.13 0.00 0.51 -3.47 -1.08 0.00 0.00 179.45 175.55 1wfg n ASP 39 N -2.52 3.79 -3.55 0.86 -0.08 -1.26 -4.94 116.55 108.84 1wfg n ASP 39 Ca 0.04 -3.56 -0.18 0.00 -1.51 0.00 0.00 54.79 49.57 1wfg n ASP 39 Cb 0.37 -0.80 0.00 0.00 2.34 0.00 0.00 41.12 43.03 1wfg n ASP 39 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wfg n GLY 40 N -0.98 -1.23 3.48 0.27 0.00 -1.04 -4.99 105.19 100.69 1wfg n GLY 40 Ca 0.54 0.60 0.01 0.00 0.00 0.00 0.00 46.02 47.17 1wfg n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfg s SER 41 N -2.92 -0.40 0.17 1.61 1.04 -1.26 -4.90 113.70 107.04 1wfg s SER 41 Ca 0.02 0.59 -0.29 0.00 0.48 0.00 0.00 55.95 56.75 1wfg s SER 41 Cb -0.00 1.33 -0.07 0.00 0.10 0.00 0.00 66.02 67.37 1wfg s SER 41 CO 0.85 -0.09 0.92 -0.69 0.98 0.00 0.00 173.24 175.21 1wfg s VAL 42 N 1.82 4.31 0.92 5.02 1.01 -1.26 -1.24 120.40 130.97 1wfg s VAL 42 Ca -0.05 2.01 -0.12 0.00 0.00 0.00 0.00 61.98 63.82 1wfg s VAL 42 Cb -0.04 -4.29 0.14 0.00 0.00 0.00 0.00 36.38 32.19 1wfg s VAL 42 CO -0.15 0.42 1.14 -2.16 0.00 0.00 0.00 175.10 174.35 1wfg s PRO 43 N -0.65 1.09 0.33 2.72 0.04 -1.26 -4.89 135.00 132.38 1wfg s PRO 43 Ca 0.43 0.26 0.10 0.00 0.04 0.00 0.00 61.00 61.83 1wfg s PRO 43 Cb -0.24 -1.84 1.00 0.00 0.04 0.00 0.00 34.50 33.46 1wfg s PRO 43 CO 0.30 -2.23 1.53 -2.13 0.04 0.00 0.00 177.00 174.51 1wfg n ARG 44 N -3.78 -0.07 -3.15 4.56 0.63 -1.26 -4.07 116.66 109.53 1wfg n ARG 44 Ca 0.07 1.40 0.04 0.00 -0.92 0.00 0.00 57.85 58.44 1wfg n ARG 44 Cb 0.59 -2.35 -0.01 0.00 0.45 0.00 0.00 32.46 31.14 1wfg n ARG 44 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1wfg s ASP 45 N -4.79 -1.30 0.00 6.15 1.47 -1.26 -5.01 116.67 111.92 1wfg s ASP 45 Ca -0.11 0.44 0.00 0.00 1.18 0.00 0.00 52.55 54.06 1wfg s ASP 45 Cb 0.31 1.94 0.00 0.00 -0.34 0.00 0.00 42.92 44.83 1wfg s ASP 45 CO 0.76 -0.24 0.00 -1.20 0.68 0.00 0.00 175.17 175.17 1wfg n SER 46 N 5.40 0.00 -2.99 2.11 7.64 -1.26 -4.95 113.62 119.57 1wfg n SER 46 Ca 0.02 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.75 1wfg n SER 46 Cb 0.53 -0.38 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 1wfg n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfg n GLY 47 N 1.75 1.99 0.37 0.23 0.00 -1.26 -4.96 105.19 103.32 1wfg n GLY 47 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.18 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 3.39 1.45 -0.23 4.61 0.00 -1.90 0.23 119.26 126.81 1wfg h ALA 48 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wfg h ALA 48 Cb 1.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wfg h ALA 48 CO 0.36 0.39 0.00 -1.33 0.00 0.00 0.00 179.25 178.67 1wfg n MET 49 N -4.51 1.89 0.00 0.00 2.81 -1.26 -4.71 117.12 111.35 1wfg n MET 49 Ca 0.15 -1.35 0.00 0.00 -1.81 0.00 0.00 57.70 54.69 1wfg n MET 49 Cb 0.21 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 0.57 0.00 0.00 4.03 7.99 0.79 -2.67 117.00 127.72 1wfg n LEU 50 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.16 1wfg n LEU 50 Cb 0.38 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 1wfg n LEU 50 CO 0.13 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.62 1wfg n GLY 51 N 0.00 0.00 3.76 -0.72 0.00 -1.26 -3.73 105.19 103.24 1wfg n GLY 51 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.05 -0.06 0.99 0.05 -1.09 0.90 118.68 119.53 1wfg s LEU 52 Ca 0.00 -0.95 0.03 0.00 0.05 0.00 0.00 54.13 53.26 1wfg s LEU 52 Cb 0.00 2.51 0.01 0.00 -2.05 0.00 0.00 46.19 46.66 1wfg s LEU 52 CO 0.00 -1.45 -0.13 -0.75 -0.55 0.00 0.00 176.35 173.48 1wfg s LYS 53 N -3.24 1.61 -0.05 1.48 2.20 0.30 -4.94 119.74 117.10 1wfg s LYS 53 Ca 0.16 -0.43 0.06 0.00 -0.36 0.00 0.00 55.97 55.40 1wfg s LYS 53 Cb -0.04 -1.36 -0.01 0.00 -1.51 0.00 0.00 37.83 34.91 1wfg s LYS 53 CO 0.10 0.08 -0.23 0.08 -0.36 0.00 0.00 175.35 175.02 1wfg s VAL 54 N 0.49 1.91 -0.29 4.02 1.01 -1.26 -0.82 120.40 125.46 1wfg s VAL 54 Ca -0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 1wfg s VAL 54 Cb -0.14 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.65 1wfg s VAL 54 CO 0.03 0.53 0.03 -0.69 0.00 0.00 0.00 175.10 175.00 1wfg s VAL 55 N -0.12 3.39 0.25 2.92 1.01 -0.61 -4.95 120.40 122.29 1wfg s VAL 55 Ca -0.04 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1wfg s VAL 55 Cb -0.13 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1wfg s VAL 55 CO 0.03 0.02 0.18 -0.83 0.00 0.00 0.00 175.10 174.51 1wfg s GLY 56 N 1.37 1.43 0.00 4.51 0.00 -1.26 -2.21 107.32 111.17 1wfg s GLY 56 Ca -0.01 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1wfg s GLY 56 CO -0.00 -1.48 0.00 0.61 0.00 0.00 0.00 173.10 172.23 1wfg n GLY 57 N -1.16 0.82 3.67 0.20 0.00 -0.99 -3.14 105.19 104.60 1wfg n GLY 57 Ca -0.08 0.00 -0.42 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 -0.90 4.22 -0.23 1.61 2.47 -1.07 -4.78 119.74 121.05 1wfg s LYS 58 Ca 0.00 2.09 -0.29 0.00 -1.56 0.00 0.00 55.97 56.21 1wfg s LYS 58 Cb 0.00 -3.78 -0.01 0.00 -1.46 0.00 0.00 37.83 32.58 1wfg s LYS 58 CO 0.00 -0.74 1.33 -1.64 0.16 0.00 0.00 175.35 174.47 1wfg s MET 59 N 3.28 4.04 0.20 4.03 -1.94 -1.26 -1.94 119.30 125.71 1wfg s MET 59 Ca 0.69 1.50 -0.03 0.00 -1.71 0.00 0.00 55.69 56.14 1wfg s MET 59 Cb -0.33 -3.85 0.04 0.00 2.01 0.00 0.00 34.83 32.70 1wfg s MET 59 CO 0.27 -0.96 0.27 0.25 -0.01 0.00 0.00 175.02 174.84 1wfg n THR 60 N 5.86 0.00 1.52 2.05 -2.24 0.14 -4.95 114.28 116.66 1wfg n THR 60 Ca 0.15 -0.24 0.14 0.00 -2.27 0.00 0.00 64.05 61.83 1wfg n THR 60 Cb 0.46 -1.74 0.57 0.00 -2.10 0.00 0.00 70.33 67.51 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 -1.55 1.36 -0.25 -0.78 0.28 -1.26 -3.33 120.64 115.11 1wfg n GLU 61 Ca 0.04 -0.70 0.07 0.00 -0.16 0.00 0.00 57.16 56.41 1wfg n GLU 61 Cb 0.12 -1.49 0.20 0.00 1.43 0.00 0.00 31.44 31.71 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 -0.21 3.27 -1.22 -1.84 2.88 -1.26 -4.94 113.62 110.31 1wfg n SER 62 Ca 0.18 -2.08 -0.11 0.00 -1.33 0.00 0.00 58.87 55.53 1wfg n SER 62 Cb 0.31 -0.32 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.71 -0.00 3.64 0.46 0.00 -1.21 -5.02 105.19 103.77 1wfg n GLY 63 Ca 0.15 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.44 1.99 0.15 1.61 0.52 -1.26 -4.90 118.95 112.61 1wfg s ARG 64 Ca 0.00 -2.16 0.05 0.00 -0.52 0.00 0.00 55.73 53.10 1wfg s ARG 64 Cb 0.00 -1.57 -0.04 0.00 0.52 0.00 0.00 34.95 33.86 1wfg s ARG 64 CO 0.00 -0.12 0.11 -0.51 0.02 0.00 0.00 175.30 174.80 1wfg s LEU 65 N -3.73 3.77 0.19 2.53 1.43 -1.26 0.23 118.68 121.84 1wfg s LEU 65 Ca 0.29 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 1wfg s LEU 65 Cb 0.08 -2.40 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 1wfg s LEU 65 CO 0.15 0.09 0.37 0.00 0.23 0.00 0.00 176.35 177.19 1wfg s ALA 67 N -3.97 1.53 0.10 0.00 0.00 -1.26 -2.33 121.76 115.83 1wfg s ALA 67 Ca 0.17 -0.62 0.09 0.00 0.00 0.00 0.00 51.96 51.60 1wfg s ALA 67 Cb 0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1wfg s ALA 67 CO 0.02 -0.06 -0.23 -0.06 0.00 0.00 0.00 175.76 175.43 1wfg s PHE 68 N 0.98 1.96 0.19 0.00 0.08 -0.94 -1.82 117.98 118.42 1wfg s PHE 68 Ca -0.08 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.27 1wfg s PHE 68 Cb -0.15 -1.09 -0.08 0.00 -0.57 0.00 0.00 43.02 41.13 1wfg s PHE 68 CO -0.01 0.22 1.20 0.42 -0.10 0.00 0.00 175.22 176.96 1wfg s ILE 69 N -1.06 3.54 -0.16 0.64 1.01 -0.69 -1.58 121.20 122.91 1wfg s ILE 69 Ca 0.09 1.30 -0.02 0.00 0.00 0.00 0.00 60.65 62.02 1wfg s ILE 69 Cb -0.10 -3.83 -0.09 0.00 0.01 0.00 0.00 42.46 38.45 1wfg s ILE 69 CO 0.04 0.21 -0.16 0.35 0.00 0.00 0.00 174.94 175.38 1wfg n THR 70 N 2.49 0.92 -3.78 2.92 -2.24 0.00 -0.56 114.28 114.04 1wfg n THR 70 Ca 0.04 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1wfg n THR 70 Cb 0.45 -1.27 -0.09 0.00 -2.10 0.00 0.00 70.33 67.32 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 -2.32 0.61 -0.15 -0.78 2.20 -1.21 -4.64 119.74 113.46 1wfg s LYS 71 Ca -0.22 -0.17 -0.04 0.00 -0.36 0.00 0.00 55.97 55.18 1wfg s LYS 71 Cb 0.07 0.27 0.07 0.00 -1.51 0.00 0.00 37.83 36.72 1wfg s LYS 71 CO 0.35 -0.16 0.16 0.54 -0.36 0.00 0.00 175.35 175.87 1wfg s VAL 72 N -1.20 -0.23 0.21 4.02 0.11 -1.26 0.11 120.40 122.16 1wfg s VAL 72 Ca -0.13 0.04 -0.32 0.00 -2.93 0.00 0.00 61.98 58.64 1wfg s VAL 72 Cb -0.05 -0.51 -0.14 0.00 -1.53 0.00 0.00 36.38 34.15 1wfg s VAL 72 CO 0.03 -0.11 1.38 1.17 -3.33 0.00 0.00 175.10 174.25 1wfg n LYS 73 N 5.31 1.84 -2.83 1.54 3.00 0.26 -4.89 118.16 122.39 1wfg n LYS 73 Ca -0.06 0.66 -0.43 0.00 -0.00 0.00 0.00 58.31 58.48 1wfg n LYS 73 Cb 0.49 -2.30 -0.04 0.00 0.00 0.00 0.00 35.03 33.18 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 -0.17 3.33 0.00 1.64 2.36 -1.26 -3.39 119.74 122.26 1wfg s LYS 74 Ca 0.71 -0.26 0.00 0.00 -2.55 0.00 0.00 55.97 53.87 1wfg s LYS 74 Cb -0.71 -4.06 0.00 0.00 -1.05 0.00 0.00 37.83 32.01 1wfg s LYS 74 CO 0.48 -1.51 0.00 0.41 1.55 0.00 0.00 175.35 176.29 1wfg n GLY 75 N 5.12 1.83 3.71 5.54 0.00 -1.26 -5.06 105.19 115.06 1wfg n GLY 75 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1wfg n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 76 N -2.00 4.18 0.11 1.61 0.01 -1.22 -4.81 113.70 111.58 1wfg s SER 76 Ca 0.00 -1.30 -0.26 0.00 1.31 0.00 0.00 55.95 55.70 1wfg s SER 76 Cb 0.00 -0.23 -0.08 0.00 0.21 0.00 0.00 66.02 65.92 1wfg s SER 76 CO 0.00 -0.59 1.44 -0.07 0.41 0.00 0.00 173.24 174.43 1wfg h LEU 77 N 1.50 -1.58 -5.26 2.44 -0.00 -1.90 1.76 115.31 112.27 1wfg h LEU 77 Ca -0.43 0.22 -0.50 0.00 -0.00 0.00 0.00 57.88 57.16 1wfg h LEU 77 Cb 1.26 0.66 0.02 0.00 -0.00 0.00 0.00 40.66 42.60 1wfg h LEU 77 CO 0.74 -0.29 3.15 0.00 -0.00 0.00 0.00 178.44 182.04 1wfg n ALA 78 N -3.06 5.92 0.00 1.53 0.00 -1.26 -0.80 120.51 122.84 1wfg n ALA 78 Ca -0.02 -2.65 0.00 0.00 0.00 0.00 0.00 53.44 50.77 1wfg n ALA 78 Cb 0.26 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.55 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 3.96 0.00 0.12 0.00 2.03 -0.34 -3.97 116.55 118.34 1wfg n ASP 79 Ca 0.59 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.70 1wfg n ASP 79 Cb 0.17 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.43 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 1.40 0.00 5.18 1.35 0.28 -2.40 112.91 118.72 1wfg h THR 80 Ca 0.00 -2.86 -0.20 0.00 -0.55 0.00 0.00 66.41 62.80 1wfg h THR 80 Cb 0.00 2.95 -0.04 0.00 -1.73 0.00 0.00 68.15 69.34 1wfg h THR 80 CO 0.00 0.85 -1.74 1.33 -0.25 0.00 0.00 175.52 175.70 1wfg n VAL 81 N -3.63 0.75 0.13 6.82 0.24 -0.55 -4.66 118.33 117.43 1wfg n VAL 81 Ca -0.12 -0.28 -0.22 0.00 -2.04 0.00 0.00 64.34 61.68 1wfg n VAL 81 Cb 1.05 -0.99 -0.15 0.00 -1.47 0.00 0.00 33.84 32.28 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 0.94 0.52 -6.08 7.63 0.00 -1.17 -3.44 103.07 101.46 1wfg h GLY 82 Ca -0.29 -1.31 -0.43 0.00 0.00 0.00 0.00 47.33 45.29 1wfg h GLY 82 CO -0.05 1.15 -0.74 1.42 0.00 0.00 0.00 176.54 178.32 1wfg n HIS 83 N -3.65 -2.48 -1.45 5.60 -0.00 -0.90 -4.72 115.22 107.62 1wfg n HIS 83 Ca -0.14 0.94 -0.23 0.00 -0.00 0.00 0.00 57.72 58.30 1wfg n HIS 83 Cb 1.07 -4.47 0.17 0.00 -0.00 0.00 0.00 29.99 26.76 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 -4.74 0.00 -3.67 2.41 4.77 -1.25 -4.88 117.00 109.63 1wfg n LEU 84 Ca -0.02 -1.06 -0.14 0.00 -0.03 0.00 0.00 56.01 54.76 1wfg n LEU 84 Cb 0.56 -0.79 -0.07 0.00 -2.33 0.00 0.00 43.42 40.79 1wfg n LEU 84 CO 0.70 -1.47 0.16 -0.13 -1.33 0.00 0.00 177.39 175.32 1wfg s ARG 85 N -5.16 0.84 -0.71 3.23 0.52 -1.26 -4.82 118.95 111.59 1wfg s ARG 85 Ca 0.58 -0.13 -0.26 0.00 -0.52 0.00 0.00 55.73 55.39 1wfg s ARG 85 Cb -0.03 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.82 1wfg s ARG 85 CO 0.42 -0.26 1.58 -1.25 0.02 0.00 0.00 175.30 175.81 1wfg s PRO 86 N -1.62 2.93 0.00 3.54 0.04 -1.26 -2.82 135.00 135.82 1wfg s PRO 86 Ca -0.11 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.00 1wfg s PRO 86 Cb -0.03 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1wfg s PRO 86 CO 0.04 -2.49 0.00 0.41 0.04 0.00 0.00 177.00 175.00 1wfg n GLY 87 N 5.71 0.43 3.40 0.56 0.00 0.28 -4.84 105.19 110.74 1wfg n GLY 87 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1wfg n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wfg s ASP 88 N 0.00 -0.47 -0.30 1.61 1.01 -1.13 -4.65 116.67 112.75 1wfg s ASP 88 Ca 0.00 0.73 -0.00 0.00 0.71 0.00 0.00 52.55 53.99 1wfg s ASP 88 Cb 0.00 -1.01 0.09 0.00 1.01 0.00 0.00 42.92 43.02 1wfg s ASP 88 CO 0.00 -4.98 0.08 -0.70 0.21 0.00 0.00 175.17 169.77 1wfg s GLU 89 N -5.24 0.87 -0.64 8.23 2.12 -1.26 -1.70 118.70 121.08 1wfg s GLU 89 Ca 0.70 -1.12 -0.27 0.00 0.36 0.00 0.00 54.97 54.64 1wfg s GLU 89 Cb -0.11 -2.19 0.01 0.00 0.26 0.00 0.00 34.13 32.09 1wfg s GLU 89 CO 0.57 -0.93 1.52 0.54 -0.54 0.00 0.00 175.26 176.43 1wfg s VAL 90 N 1.53 3.60 0.04 3.70 0.11 -0.76 -2.59 120.40 126.04 1wfg s VAL 90 Ca 0.08 0.40 -0.33 0.00 -2.93 0.00 0.00 61.98 59.21 1wfg s VAL 90 Cb -0.18 -4.44 -0.18 0.00 -1.53 0.00 0.00 36.38 30.05 1wfg s VAL 90 CO -0.20 -1.33 1.39 -0.07 -3.33 0.00 0.00 175.10 171.56 1wfg h LEU 91 N 14.24 -0.96 -9.64 2.54 3.38 0.41 -3.40 115.31 121.88 1wfg h LEU 91 Ca -0.27 0.03 -0.61 0.00 0.09 0.00 0.00 57.88 57.11 1wfg h LEU 91 Cb 1.10 0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.98 1wfg h LEU 91 CO 1.23 -0.62 -0.60 -1.61 0.09 0.00 0.00 178.44 176.93 1wfg s GLU 92 N -5.46 1.99 -0.33 1.13 2.02 -0.75 0.19 118.70 117.48 1wfg s GLU 92 Ca -0.17 -1.98 -0.01 0.00 0.02 0.00 0.00 54.97 52.83 1wfg s GLU 92 Cb 0.02 -1.75 0.13 0.00 0.10 0.00 0.00 34.13 32.63 1wfg s GLU 92 CO 0.54 0.01 0.18 -0.46 0.02 0.00 0.00 175.26 175.55 1wfg s TRP 93 N -2.64 0.59 -0.45 1.61 -0.11 0.27 -2.25 118.94 115.96 1wfg s TRP 93 Ca 0.35 -1.38 0.00 0.00 1.22 0.00 0.00 56.10 56.29 1wfg s TRP 93 Cb 0.06 -0.91 0.00 0.00 -1.50 0.00 0.00 33.47 31.12 1wfg s TRP 93 CO 0.19 -0.83 0.00 -1.71 -4.62 0.00 0.00 176.95 169.98 1wfg n ASN 94 N 4.44 -3.36 0.00 5.86 2.85 0.55 -2.62 115.26 122.98 1wfg n ASN 94 Ca 0.06 0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1wfg n ASN 94 Cb 0.39 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 40.01 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 -2.31 1.24 3.57 8.20 0.00 -1.23 -4.78 105.19 109.88 1wfg n GLY 95 Ca -0.04 0.00 -0.43 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 -0.69 3.63 0.20 1.61 1.81 -1.08 -5.00 118.95 119.44 1wfg s ARG 96 Ca 0.00 0.18 -0.31 0.00 -1.72 0.00 0.00 55.73 53.89 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 -0.98 1.45 -1.17 -0.68 0.00 0.00 175.30 173.93 1wfg s LEU 97 N 3.25 4.38 -0.01 2.53 2.96 -1.26 0.96 118.68 131.49 1wfg s LEU 97 Ca 0.32 2.57 0.20 0.00 -0.22 0.00 0.00 54.13 57.00 1wfg s LEU 97 Cb -0.12 -3.61 -0.21 0.00 0.50 0.00 0.00 46.19 42.75 1wfg s LEU 97 CO 0.20 -0.71 0.58 0.18 -1.32 0.00 0.00 176.35 175.27 1wfg n LEU 98 N 3.06 0.39 -4.63 -0.68 4.77 0.49 -4.68 117.00 115.73 1wfg n LEU 98 Ca 0.09 0.16 -0.46 0.00 -0.03 0.00 0.00 56.01 55.78 1wfg n LEU 98 Cb 0.40 0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1wfg n LEU 98 CO 0.60 0.13 1.65 0.00 -1.33 0.00 0.00 177.39 178.45 1wfg n GLN 99 N -2.62 2.16 0.00 3.23 6.02 -1.21 -0.28 117.38 124.67 1wfg n GLN 99 Ca -0.12 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 1wfg n GLN 99 Cb 0.78 -2.87 0.00 0.00 1.02 0.00 0.00 30.24 29.17 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 5.07 2.96 3.77 1.08 0.00 0.27 -4.91 105.19 113.43 1wfg n GLY 100 Ca 0.26 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.66 3.24 0.72 4.61 0.00 0.61 -4.39 121.76 123.88 1wfg s ALA 101 Ca 0.00 1.29 -0.10 0.00 0.00 0.00 0.00 51.96 53.16 1wfg s ALA 101 Cb 0.00 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.64 1wfg s ALA 101 CO 0.00 -0.94 1.07 0.95 0.00 0.00 0.00 175.76 176.85 1wfg s THR 102 N -1.25 2.91 0.25 0.00 -4.23 -1.26 -3.85 115.64 108.20 1wfg s THR 102 Ca 0.58 0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 61.12 1wfg s THR 102 Cb -0.39 -3.26 0.35 0.00 1.34 0.00 0.00 72.50 70.53 1wfg s THR 102 CO 0.51 -0.33 1.57 0.15 -0.54 0.00 0.00 174.62 175.98 1wfg h PHE 103 N -0.68 -0.62 0.77 3.99 3.04 -1.85 0.48 116.94 122.07 1wfg h PHE 103 Ca -0.45 0.08 -0.04 0.00 3.98 0.00 0.00 57.97 61.54 1wfg h PHE 103 Cb 1.29 0.41 0.01 0.00 2.56 0.00 0.00 35.95 40.21 1wfg h PHE 103 CO 0.42 -0.39 -0.37 0.93 -2.02 0.00 0.00 178.31 176.88 1wfg h GLU 104 N -0.01 -0.99 -0.81 1.11 4.39 -1.92 -0.81 114.58 115.53 1wfg h GLU 104 Ca 0.40 0.07 0.19 0.00 0.34 0.00 0.00 59.36 60.36 1wfg h GLU 104 Cb 0.64 0.23 -0.14 0.00 -0.10 0.00 0.00 28.75 29.38 1wfg h GLU 104 CO -0.91 -0.65 0.08 0.93 -1.16 0.00 0.00 179.01 177.30 1wfg h GLU 105 N -1.10 0.13 -0.67 2.33 5.08 -1.43 1.57 114.58 120.50 1wfg h GLU 105 Ca -0.11 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1wfg h GLU 105 Cb 0.80 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1wfg h GLU 105 CO 0.17 0.09 0.44 0.28 -1.00 0.00 0.00 179.01 178.99 1wfg h VAL 106 N 0.14 1.16 0.44 3.13 2.07 0.08 -1.99 116.25 121.27 1wfg h VAL 106 Ca 0.46 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 1wfg h VAL 106 Cb 0.86 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1wfg h VAL 106 CO -0.67 0.16 -0.21 0.22 0.02 0.00 0.00 177.57 177.09 1wfg h TYR 107 N 0.89 -0.54 -1.57 1.57 5.03 0.17 -2.95 116.97 119.57 1wfg h TYR 107 Ca 0.25 -0.01 0.50 0.00 2.58 0.00 0.00 58.73 62.04 1wfg h TYR 107 Cb -0.08 0.18 -0.11 0.00 1.55 0.00 0.00 36.73 38.26 1wfg h TYR 107 CO -0.03 -0.25 1.07 -0.91 -1.32 0.00 0.00 178.16 176.72 1wfg h ASN 108 N -1.06 0.13 0.57 -2.11 2.35 0.20 0.81 115.58 116.46 1wfg h ASN 108 Ca -0.06 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1wfg h ASN 108 Cb 0.54 0.09 0.01 0.00 0.05 0.00 0.00 38.32 39.01 1wfg h ASN 108 CO 0.10 -0.14 -0.27 0.40 -1.65 0.00 0.00 177.43 175.86 1wfg h ILE 109 N 0.02 0.00 -0.92 2.81 2.04 -1.25 1.37 117.51 121.58 1wfg h ILE 109 Ca 0.88 -0.18 0.12 0.00 1.00 0.00 0.00 64.86 66.67 1wfg h ILE 109 Cb 3.09 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 39.10 1wfg h ILE 109 CO -0.28 0.00 0.59 0.40 0.00 0.00 0.00 178.15 178.86 1wfg h ILE 110 N -0.95 0.92 -0.19 -0.67 2.04 0.14 0.39 117.51 119.19 1wfg h ILE 110 Ca -0.08 -0.30 -0.14 0.00 1.00 0.00 0.00 64.86 65.35 1wfg h ILE 110 Cb 0.59 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1wfg h ILE 110 CO 0.13 0.16 -0.47 0.25 0.00 0.00 0.00 178.15 178.22 1wfg h LEU 111 N 0.87 0.54 -1.09 1.44 7.12 0.43 -2.54 115.31 122.07 1wfg h LEU 111 Ca 0.45 -0.26 -0.04 0.00 0.13 0.00 0.00 57.88 58.15 1wfg h LEU 111 Cb 0.51 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.49 1wfg h LEU 111 CO -0.21 0.92 -0.21 -0.33 -0.13 0.00 0.00 178.44 178.48 1wfg h GLU 112 N 0.40 0.00 -0.81 1.25 4.39 0.50 -2.49 114.58 117.82 1wfg h GLU 112 Ca 0.02 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.52 1wfg h GLU 112 Cb 0.97 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.50 1wfg h GLU 112 CO 0.09 0.21 0.26 -1.13 -1.16 0.00 0.00 179.01 177.27 1wfg n SER 113 N -3.36 4.36 0.05 1.42 3.41 0.10 -4.38 113.62 115.22 1wfg n SER 113 Ca 0.00 -3.05 -0.13 0.00 -0.26 0.00 0.00 58.87 55.44 1wfg n SER 113 Cb 0.43 -0.72 -0.09 0.00 -0.26 0.00 0.00 64.21 63.57 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 2.19 -0.12 0.00 4.33 1.57 -1.33 -3.11 116.57 120.11 1wfg h LYS 114 Ca 0.25 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.94 1wfg h LYS 114 Cb 2.13 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.46 1wfg h LYS 114 CO 0.66 0.22 -0.45 -1.00 -0.57 0.00 0.00 179.45 178.31 1wfg h PRO 115 N -0.47 0.00 -5.64 3.15 0.13 -1.83 -3.41 132.00 123.93 1wfg h PRO 115 Ca -0.01 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.49 1wfg h PRO 115 Cb 0.39 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.62 1wfg h PRO 115 CO 0.02 0.45 -0.49 0.39 -0.23 0.00 0.00 178.00 178.13 1wfg n GLU 116 N -3.42 0.00 0.12 0.86 -0.58 -1.18 -4.84 120.64 111.60 1wfg n GLU 116 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1wfg n GLU 116 Cb 0.60 -0.95 0.10 0.00 -0.57 0.00 0.00 31.44 30.62 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 0.96 0.00 -4.74 3.49 0.13 -1.89 -3.47 132.00 126.48 1wfg h PRO 117 Ca -0.27 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.47 1wfg h PRO 117 Cb 1.35 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.36 1wfg h PRO 117 CO 0.54 0.70 -0.48 1.14 -0.23 0.00 0.00 178.00 179.67 1wfg s GLN 118 N -3.31 1.66 -0.27 0.86 -2.07 -1.26 -2.82 119.66 112.45 1wfg s GLN 118 Ca -0.00 -1.90 -0.01 0.00 -1.82 0.00 0.00 55.36 51.63 1wfg s GLN 118 Cb 0.11 0.33 0.14 0.00 -1.09 0.00 0.00 33.01 32.51 1wfg s GLN 118 CO 0.77 -0.61 0.37 0.08 -1.32 0.00 0.00 175.29 174.58 1wfg s VAL 119 N -3.55 -0.57 -0.49 3.63 1.01 -0.76 -4.93 120.40 114.73 1wfg s VAL 119 Ca 0.39 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 1wfg s VAL 119 Cb 0.03 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.56 1wfg s VAL 119 CO 0.23 -0.24 0.61 -0.70 0.00 0.00 0.00 175.10 175.01 1wfg s GLU 120 N 2.51 3.14 0.58 2.72 2.12 -1.26 -1.39 118.70 127.13 1wfg s GLU 120 Ca 0.11 -0.81 -0.07 0.00 0.36 0.00 0.00 54.97 54.56 1wfg s GLU 120 Cb -0.14 -4.07 -0.00 0.00 0.26 0.00 0.00 34.13 30.18 1wfg s GLU 120 CO -0.23 -1.16 0.91 -0.51 -0.54 0.00 0.00 175.26 173.72 1wfg s LEU 121 N 2.62 3.27 -0.28 2.70 1.43 0.49 0.21 118.68 129.11 1wfg s LEU 121 Ca 0.16 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1wfg s LEU 121 Cb -0.18 -3.69 0.13 0.00 0.03 0.00 0.00 46.19 42.48 1wfg s LEU 121 CO 0.13 -1.00 0.30 -0.69 0.23 0.00 0.00 176.35 175.33 1wfg s VAL 122 N -3.00 -0.42 0.31 -1.59 1.01 -0.95 -1.94 120.40 113.82 1wfg s VAL 122 Ca 0.53 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1wfg s VAL 122 Cb -0.11 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1wfg s VAL 122 CO 0.46 -0.43 0.29 0.54 0.00 0.00 0.00 175.10 175.96 1wfg s VAL 123 N 2.38 3.92 -0.19 2.92 0.11 0.39 0.29 120.40 130.22 1wfg s VAL 123 Ca 0.09 -1.32 -0.04 0.00 -2.93 0.00 0.00 61.98 57.78 1wfg s VAL 123 Cb -0.14 -3.30 0.10 0.00 -1.53 0.00 0.00 36.38 31.51 1wfg s VAL 123 CO -0.31 -0.23 0.30 -0.55 -3.33 0.00 0.00 175.10 170.98 1wfg s SER 124 N -3.97 0.55 0.23 3.54 0.15 -1.07 0.78 113.70 113.92 1wfg s SER 124 Ca 0.39 0.30 0.11 0.00 0.70 0.00 0.00 55.95 57.44 1wfg s SER 124 Cb -0.07 0.80 -0.05 0.00 -1.71 0.00 0.00 66.02 64.99 1wfg s SER 124 CO 0.27 -0.28 -0.16 0.00 1.20 0.00 0.00 173.24 174.26 1wfg s ARG 125 N 2.45 1.80 -0.17 5.44 3.03 -0.57 -4.65 118.95 126.27 1wfg s ARG 125 Ca 0.06 -1.54 -0.27 0.00 2.03 0.00 0.00 55.73 56.00 1wfg s ARG 125 Cb -0.14 -1.93 -0.01 0.00 -1.03 0.00 0.00 34.95 31.84 1wfg s ARG 125 CO -0.12 0.38 0.93 -1.54 -1.13 0.00 0.00 175.30 173.82 1wfg s SER 126 N -3.14 7.06 1.04 -2.89 1.04 -1.26 0.13 113.70 115.68 1wfg s SER 126 Ca 0.26 1.31 -0.02 0.00 0.48 0.00 0.00 55.95 57.98 1wfg s SER 126 Cb -0.07 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.58 1wfg s SER 126 CO 0.14 -0.48 0.09 0.61 0.98 0.00 0.00 173.24 174.58 1wfg n GLY 127 N 3.34 -3.46 3.75 7.32 0.00 0.04 -4.90 105.19 111.29 1wfg n GLY 127 Ca 0.07 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.21 4.63 -0.04 1.61 0.04 -1.26 -5.02 135.00 131.76 1wfg s PRO 128 Ca 0.06 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 1wfg s PRO 128 Cb -0.01 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.32 1wfg s PRO 128 CO 0.05 0.17 0.08 -1.12 0.04 0.00 0.00 177.00 176.23 1wfg s SER 129 N -0.59 -0.05 0.77 6.66 0.01 -1.26 -5.08 113.70 114.16 1wfg s SER 129 Ca 0.46 0.16 -0.12 0.00 1.31 0.00 0.00 55.95 57.77 1wfg s SER 129 Cb -0.31 0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.08 1wfg s SER 129 CO 0.38 -0.08 1.13 -0.94 0.41 0.00 0.00 173.24 174.14 1wfg s SER 130 N 0.60 4.85 0.00 2.44 1.04 -1.26 -5.30 113.70 116.07 1wfg s SER 130 Ca -0.05 1.02 0.02 0.00 0.48 0.00 0.00 55.95 57.42 1wfg s SER 130 Cb -0.07 -1.68 0.01 0.00 0.10 0.00 0.00 66.02 64.39 1wfg s SER 130 CO -0.02 -1.71 0.55 0.61 0.98 0.00 0.00 173.24 173.65