#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfg s SER 2 N 0.00 -0.48 -0.14 1.61 0.15 -1.26 -5.14 113.70 108.44 1wfg s SER 2 Ca 0.00 -0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.62 1wfg s SER 2 Cb 0.00 1.15 0.05 0.00 -1.71 0.00 0.00 66.02 65.51 1wfg s SER 2 CO 0.00 -0.08 0.02 -0.94 1.20 0.00 0.00 173.24 173.44 1wfg s SER 3 N 2.73 2.31 -0.37 5.45 1.04 -1.26 -5.08 113.70 118.53 1wfg s SER 3 Ca 0.24 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.18 1wfg s SER 3 Cb -0.01 -0.52 0.14 0.00 0.10 0.00 0.00 66.02 65.73 1wfg s SER 3 CO -0.21 -0.26 0.22 -0.83 0.98 0.00 0.00 173.24 173.14 1wfg s GLY 4 N 1.92 1.02 0.98 7.32 0.00 -1.26 -5.13 107.32 112.16 1wfg s GLY 4 Ca 0.02 -2.02 -0.12 0.00 0.00 0.00 0.00 44.72 42.59 1wfg s GLY 4 CO -0.07 1.99 1.10 -0.56 0.00 0.00 0.00 173.10 175.57 1wfg s SER 5 N 0.89 2.84 -0.28 1.64 0.01 -1.26 -5.08 113.70 112.47 1wfg s SER 5 Ca 0.19 1.18 -0.26 0.00 1.31 0.00 0.00 55.95 58.37 1wfg s SER 5 Cb -0.22 -1.84 0.15 0.00 0.21 0.00 0.00 66.02 64.32 1wfg s SER 5 CO -0.00 -3.00 1.19 -0.44 0.41 0.00 0.00 173.24 171.40 1wfg s SER 6 N -3.54 -0.29 0.00 2.44 0.01 -1.26 -5.17 113.70 105.89 1wfg s SER 6 Ca 0.65 0.53 0.00 0.00 1.31 0.00 0.00 55.95 58.44 1wfg s SER 6 Cb -0.18 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1wfg s SER 6 CO 0.57 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.71 1wfg n GLY 7 N 1.80 2.57 2.21 3.44 0.00 -1.26 -4.98 105.19 108.98 1wfg n GLY 7 Ca -0.11 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 43.71 1wfg n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wfg n HIS 8 N 0.63 -0.06 -3.56 1.61 8.25 -1.26 -5.08 115.22 115.75 1wfg n HIS 8 Ca 0.00 -3.60 -0.15 0.00 -0.26 0.00 0.00 57.72 53.71 1wfg n HIS 8 Cb 0.00 -0.35 -0.06 0.00 1.12 0.00 0.00 29.99 30.70 1wfg n HIS 8 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wfg s SER 9 N -1.26 -0.59 -0.52 0.41 0.15 -1.26 -5.10 113.70 105.54 1wfg s SER 9 Ca 0.35 0.79 -0.26 0.00 0.70 0.00 0.00 55.95 57.53 1wfg s SER 9 Cb 0.17 0.68 -0.05 0.00 -1.71 0.00 0.00 66.02 65.11 1wfg s SER 9 CO -0.10 -0.44 2.16 -1.00 1.20 0.00 0.00 173.24 175.06 1wfg s HIS 10 N -0.77 1.33 -0.47 3.44 0.09 -1.26 -4.79 115.29 112.87 1wfg s HIS 10 Ca -0.06 1.19 0.06 0.00 -0.00 0.00 0.00 55.06 56.26 1wfg s HIS 10 Cb -0.01 -3.81 0.22 0.00 -0.00 0.00 0.00 32.58 28.97 1wfg s HIS 10 CO 0.05 -2.52 0.68 -1.13 -0.00 0.00 0.00 174.74 171.82 1wfg n SER 11 N 14.31 -2.06 -3.65 1.40 3.41 -1.26 -5.04 113.62 120.73 1wfg n SER 11 Ca 0.30 -2.91 -0.27 0.00 -0.26 0.00 0.00 58.87 55.72 1wfg n SER 11 Cb 0.53 0.92 -0.11 0.00 -0.26 0.00 0.00 64.21 65.30 1wfg n SER 11 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1wfg n ASP 12 N 2.18 1.85 -4.31 4.04 2.03 -1.26 -5.04 116.55 116.05 1wfg n ASP 12 Ca 0.18 -2.95 -0.46 0.00 0.52 0.00 0.00 54.79 52.08 1wfg n ASP 12 Cb 0.56 -0.68 -0.05 0.00 -0.72 0.00 0.00 41.12 40.24 1wfg n ASP 12 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1wfg s LYS 13 N -1.09 3.10 -0.29 -0.67 1.02 -1.26 -5.02 119.74 115.53 1wfg s LYS 13 Ca 0.30 -1.91 -0.37 0.00 0.02 0.00 0.00 55.97 54.01 1wfg s LYS 13 Cb 0.02 -4.30 -0.13 0.00 -0.52 0.00 0.00 37.83 32.89 1wfg s LYS 13 CO -0.16 -1.31 1.98 -2.39 -0.92 0.00 0.00 175.35 172.55 1wfg n HIS 14 N 4.89 1.87 0.04 3.18 1.44 -1.26 -4.82 115.22 120.56 1wfg n HIS 14 Ca -0.07 0.35 -0.15 0.00 -2.01 0.00 0.00 57.72 55.84 1wfg n HIS 14 Cb 0.42 -2.52 -0.05 0.00 0.12 0.00 0.00 29.99 27.96 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 9.84 0.56 -6.09 -1.40 0.13 -1.95 -3.45 132.00 129.64 1wfg h PRO 15 Ca -0.37 -0.55 -0.63 0.00 -0.87 0.00 0.00 66.00 63.57 1wfg h PRO 15 Cb 1.32 0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.52 1wfg h PRO 15 CO 0.99 1.18 -0.57 0.14 -0.23 0.00 0.00 178.00 179.51 1wfg s VAL 16 N -3.43 4.81 -0.19 1.56 -7.23 -1.26 -2.91 120.40 111.76 1wfg s VAL 16 Ca -0.08 -0.63 -0.08 0.00 -1.81 0.00 0.00 61.98 59.39 1wfg s VAL 16 Cb 0.08 -3.32 0.08 0.00 0.56 0.00 0.00 36.38 33.78 1wfg s VAL 16 CO 0.89 0.15 0.42 0.42 -0.31 0.00 0.00 175.10 176.66 1wfg s THR 17 N -1.41 -0.38 -0.35 5.32 -4.23 0.51 -4.97 115.64 110.13 1wfg s THR 17 Ca 0.31 0.14 -0.06 0.00 -1.18 0.00 0.00 61.69 60.89 1wfg s THR 17 Cb -0.12 -0.65 0.05 0.00 1.34 0.00 0.00 72.50 73.12 1wfg s THR 17 CO 0.23 0.06 0.13 0.26 -0.54 0.00 0.00 174.62 174.76 1wfg s TRP 18 N 2.10 3.29 0.04 3.99 0.52 -1.26 0.32 118.94 127.94 1wfg s TRP 18 Ca -0.05 -1.54 0.02 0.00 0.02 0.00 0.00 56.10 54.55 1wfg s TRP 18 Cb -0.10 -2.43 -0.02 0.00 -1.15 0.00 0.00 33.47 29.76 1wfg s TRP 18 CO -0.13 -0.77 -0.07 -0.65 0.02 0.00 0.00 176.95 175.35 1wfg s GLN 19 N 1.38 0.48 0.65 4.98 -1.52 0.13 -4.97 119.66 120.80 1wfg s GLN 19 Ca -0.01 -0.71 -0.13 0.00 -1.95 0.00 0.00 55.36 52.57 1wfg s GLN 19 Cb -0.20 -0.22 -0.01 0.00 -0.22 0.00 0.00 33.01 32.35 1wfg s GLN 19 CO 0.02 0.03 1.06 -1.25 -0.25 0.00 0.00 175.29 174.90 1wfg s PRO 20 N -1.50 3.13 0.84 2.91 0.04 -1.26 0.19 135.00 139.34 1wfg s PRO 20 Ca -0.11 1.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.85 1wfg s PRO 20 Cb -0.10 -2.01 0.20 0.00 0.04 0.00 0.00 34.50 32.63 1wfg s PRO 20 CO 0.00 -0.95 0.84 -1.13 0.04 0.00 0.00 177.00 175.80 1wfg n SER 21 N -2.63 -1.28 -0.10 6.66 3.41 -0.91 -4.68 113.62 114.09 1wfg n SER 21 Ca 0.08 -1.08 -0.07 0.00 -0.26 0.00 0.00 58.87 57.54 1wfg n SER 21 Cb 0.53 -0.73 -0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1wfg n SER 21 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1wfg h LYS 22 N 0.00 -0.18 0.00 4.33 1.57 -1.97 -3.07 116.57 117.25 1wfg h LYS 22 Ca -0.30 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1wfg h LYS 22 Cb 0.89 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1wfg h LYS 22 CO 0.20 -0.12 0.00 -0.25 -0.57 0.00 0.00 179.45 178.71 1wfg n ASP 23 N -5.39 0.00 0.00 0.86 9.92 -1.26 -4.98 116.55 115.70 1wfg n ASP 23 Ca 0.01 0.80 0.00 0.00 -0.53 0.00 0.00 54.79 55.07 1wfg n ASP 23 Cb 0.30 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 1wfg n ASP 23 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wfg n GLY 24 N -0.66 2.17 0.33 0.44 0.00 -1.16 -4.94 105.19 101.37 1wfg n GLY 24 Ca 0.00 -0.21 0.19 0.00 0.00 0.00 0.00 46.02 46.00 1wfg n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wfg h ASP 25 N 2.00 0.00 -2.38 1.61 3.32 -1.89 -3.41 116.42 115.66 1wfg h ASP 25 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1wfg h ASP 25 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1wfg h ASP 25 CO 0.00 0.00 -0.55 -0.13 -1.72 0.00 0.00 179.24 176.84 1wfg s ARG 26 N -4.29 2.88 -0.10 3.56 1.81 -1.26 0.30 118.95 121.85 1wfg s ARG 26 Ca -0.05 -1.01 0.03 0.00 -1.72 0.00 0.00 55.73 52.98 1wfg s ARG 26 Cb 0.13 -2.57 0.01 0.00 -0.45 0.00 0.00 34.95 32.07 1wfg s ARG 26 CO 0.42 0.43 -0.18 -1.17 -0.68 0.00 0.00 175.30 174.12 1wfg s LEU 27 N -3.57 1.86 -0.33 2.53 1.98 0.20 -2.15 118.68 119.19 1wfg s LEU 27 Ca 0.32 -0.45 -0.09 0.00 -2.89 0.00 0.00 54.13 51.02 1wfg s LEU 27 Cb -0.09 -1.15 0.02 0.00 0.66 0.00 0.00 46.19 45.63 1wfg s LEU 27 CO 0.24 0.08 0.14 -0.63 -1.89 0.00 0.00 176.35 174.29 1wfg s ILE 28 N 0.65 4.24 -0.14 6.68 -1.09 0.51 0.21 121.20 132.26 1wfg s ILE 28 Ca -0.13 -0.80 -0.05 0.00 -2.23 0.00 0.00 60.65 57.44 1wfg s ILE 28 Cb -0.16 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 1wfg s ILE 28 CO 0.04 -0.09 0.04 -0.83 -1.23 0.00 0.00 174.94 172.87 1wfg s GLY 29 N 1.52 1.89 -0.09 6.18 0.00 0.17 0.22 107.32 117.20 1wfg s GLY 29 Ca 0.02 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 44.01 1wfg s GLY 29 CO 0.05 -0.21 -0.22 0.50 0.00 0.00 0.00 173.10 173.22 1wfg s ARG 30 N -0.18 2.82 -0.19 2.90 3.00 0.15 0.54 118.95 128.00 1wfg s ARG 30 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 55.73 55.00 1wfg s ARG 30 Cb -0.12 -2.14 0.04 0.00 0.00 0.00 0.00 34.95 32.73 1wfg s ARG 30 CO 0.02 0.15 -0.07 0.42 0.00 0.00 0.00 175.30 175.81 1wfg s ILE 31 N 0.40 1.37 -0.08 1.52 1.09 -0.83 -0.36 121.20 124.31 1wfg s ILE 31 Ca -0.18 -0.84 0.01 0.00 -1.10 0.00 0.00 60.65 58.54 1wfg s ILE 31 Cb -0.18 -1.51 -0.03 0.00 -1.06 0.00 0.00 42.46 39.68 1wfg s ILE 31 CO 0.08 0.13 -0.09 -0.22 -0.10 0.00 0.00 174.94 174.75 1wfg s LEU 32 N 1.51 3.04 0.06 2.97 1.98 -1.14 0.20 118.68 127.31 1wfg s LEU 32 Ca -0.01 -0.09 0.09 0.00 -2.89 0.00 0.00 54.13 51.23 1wfg s LEU 32 Cb -0.16 -1.66 -0.03 0.00 0.66 0.00 0.00 46.19 45.00 1wfg s LEU 32 CO -0.08 0.32 -0.26 -0.76 -1.89 0.00 0.00 176.35 173.69 1wfg s LEU 33 N -0.58 2.20 -0.04 -0.68 2.01 -0.45 -4.58 118.68 116.55 1wfg s LEU 33 Ca 0.09 -0.62 0.02 0.00 0.01 0.00 0.00 54.13 53.62 1wfg s LEU 33 Cb -0.12 -1.24 0.01 0.00 0.01 0.00 0.00 46.19 44.85 1wfg s LEU 33 CO 0.02 0.23 -0.08 0.21 1.01 0.00 0.00 176.35 177.74 1wfg s ASN 34 N -1.41 1.22 -0.08 2.29 3.84 -1.26 -1.94 114.94 117.59 1wfg s ASN 34 Ca 0.12 -0.19 0.08 0.00 0.21 0.00 0.00 52.86 53.08 1wfg s ASN 34 Cb -0.10 -0.50 -0.11 0.00 -0.55 0.00 0.00 41.25 39.99 1wfg s ASN 34 CO 0.03 0.01 0.03 0.29 -2.79 0.00 0.00 177.10 174.67 1wfg n LYS 35 N 3.74 2.55 -1.26 0.43 5.02 -0.66 -4.98 118.16 122.99 1wfg n LYS 35 Ca -0.23 -0.01 -0.52 0.00 -2.02 0.00 0.00 58.31 55.54 1wfg n LYS 35 Cb 0.52 -1.22 -0.12 0.00 -0.02 0.00 0.00 35.03 34.19 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 -2.31 0.00 0.00 1.97 1.74 -1.26 -4.29 116.66 112.51 1wfg n ARG 36 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1wfg n ARG 36 Cb 0.77 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 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 8.00 0.00 -0.35 0.55 4.77 -1.26 -4.58 117.00 124.13 1wfg n LEU 37 Ca 0.56 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.57 1wfg n LEU 37 Cb -0.02 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.27 1wfg n LEU 37 CO 0.86 -1.40 1.26 0.50 -1.33 0.00 0.00 177.39 177.28 1wfg h LYS 38 N 0.00 1.09 -0.21 3.23 3.64 -2.02 0.05 116.57 122.35 1wfg h LYS 38 Ca 0.00 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.17 1wfg h LYS 38 Cb 0.00 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1wfg h LYS 38 CO 0.00 0.72 -0.46 -0.44 -2.27 0.00 0.00 179.45 177.00 1wfg h ASP 39 N 1.13 0.58 -1.61 4.20 5.19 -1.99 -3.48 116.42 120.43 1wfg h ASP 39 Ca 0.43 -0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1wfg h ASP 39 Cb 0.21 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1wfg h ASP 39 CO -0.18 0.96 0.00 0.61 -3.12 0.00 0.00 179.24 177.51 1wfg n GLY 40 N 0.08 0.57 0.00 2.75 0.00 0.00 -5.00 105.19 103.60 1wfg n GLY 40 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1wfg n GLY 40 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfg n SER 41 N -0.81 0.57 -1.71 1.61 2.88 -1.26 -4.86 113.62 110.04 1wfg n SER 41 Ca 0.00 -1.26 0.00 0.00 -1.33 0.00 0.00 58.87 56.28 1wfg n SER 41 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1wfg n SER 41 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1wfg n VAL 42 N -0.13 -5.50 -1.54 2.46 0.31 -1.26 -4.93 118.33 107.74 1wfg n VAL 42 Ca 0.00 2.50 -0.29 0.00 -0.01 0.00 0.00 64.34 66.55 1wfg n VAL 42 Cb 0.38 -3.37 0.14 0.00 -0.91 0.00 0.00 33.84 30.07 1wfg n VAL 42 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wfg s PRO 43 N -2.98 1.15 0.28 5.55 0.04 -1.26 -4.85 135.00 132.92 1wfg s PRO 43 Ca 0.00 0.28 -0.03 0.00 0.04 0.00 0.00 61.00 61.30 1wfg s PRO 43 Cb 0.00 -1.84 0.58 0.00 0.04 0.00 0.00 34.50 33.28 1wfg s PRO 43 CO 0.00 -2.19 1.46 0.54 0.04 0.00 0.00 177.00 176.85 1wfg n ARG 44 N -3.76 -0.08 -2.67 4.56 5.12 -1.26 -4.16 116.66 114.41 1wfg n ARG 44 Ca 0.07 1.42 -0.03 0.00 -1.93 0.00 0.00 57.85 57.38 1wfg n ARG 44 Cb 0.59 -2.20 0.04 0.00 -1.16 0.00 0.00 32.46 29.73 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 -5.45 -1.44 -0.04 0.55 5.68 -1.26 -5.04 116.55 109.56 1wfg n ASP 45 Ca 0.19 -0.97 -0.08 0.00 -0.50 0.00 0.00 54.79 53.42 1wfg n ASP 45 Cb 0.60 0.73 -0.02 0.00 -1.14 0.00 0.00 41.12 41.28 1wfg n ASP 45 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1wfg h SER 46 N 4.14 -0.35 -0.01 -1.12 0.87 -1.96 -3.43 113.55 111.69 1wfg h SER 46 Ca -0.02 0.08 0.17 0.00 -1.23 0.00 0.00 61.79 60.80 1wfg h SER 46 Cb 1.17 0.19 -0.17 0.00 -0.44 0.00 0.00 62.40 63.15 1wfg h SER 46 CO -0.12 -0.14 -0.03 -0.83 -0.53 0.00 0.00 176.83 175.19 1wfg s GLY 47 N -2.69 -1.64 0.15 5.77 0.00 -1.26 -4.98 107.32 102.66 1wfg s GLY 47 Ca -0.14 1.51 -0.20 0.00 0.00 0.00 0.00 44.72 45.89 1wfg s GLY 47 CO 0.68 4.47 1.66 0.00 0.00 0.00 0.00 173.10 179.92 1wfg h ALA 48 N 4.96 0.05 -0.07 3.20 0.00 -1.83 0.38 119.26 125.96 1wfg h ALA 48 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wfg h ALA 48 Cb 1.24 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1wfg h ALA 48 CO -0.12 -0.56 0.00 -1.33 0.00 0.00 0.00 179.25 177.25 1wfg n MET 49 N -5.31 1.17 0.00 0.00 2.81 -1.26 -4.66 117.12 109.87 1wfg n MET 49 Ca -0.01 -0.27 0.00 0.00 -1.81 0.00 0.00 57.70 55.62 1wfg n MET 49 Cb 0.23 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 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 -0.34 0.00 0.00 4.03 7.99 0.13 -2.86 117.00 125.96 1wfg n LEU 50 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 1wfg n LEU 50 Cb 0.08 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 1wfg n LEU 50 CO 0.04 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.53 1wfg n GLY 51 N 0.00 0.30 3.92 -0.72 0.00 -1.26 -3.47 105.19 103.96 1wfg n GLY 51 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 4.26 0.11 0.99 -0.00 -1.13 -2.29 118.68 120.61 1wfg s LEU 52 Ca 0.00 0.14 0.05 0.00 -0.00 0.00 0.00 54.13 54.32 1wfg s LEU 52 Cb 0.00 -2.84 -0.04 0.00 -0.00 0.00 0.00 46.19 43.31 1wfg s LEU 52 CO 0.00 0.08 0.05 -0.75 -0.00 0.00 0.00 176.35 175.72 1wfg s LYS 53 N -3.07 2.69 -0.03 1.48 2.36 0.31 -4.94 119.74 118.54 1wfg s LYS 53 Ca 0.34 -0.83 -0.02 0.00 -2.55 0.00 0.00 55.97 52.91 1wfg s LYS 53 Cb -0.11 -2.59 0.01 0.00 -1.05 0.00 0.00 37.83 34.08 1wfg s LYS 53 CO 0.28 0.53 0.07 0.08 1.55 0.00 0.00 175.35 177.85 1wfg s VAL 54 N -1.46 -0.01 -0.25 4.02 1.01 -1.26 -2.47 120.40 119.99 1wfg s VAL 54 Ca 0.28 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1wfg s VAL 54 Cb -0.11 -0.11 0.05 0.00 0.00 0.00 0.00 36.38 36.21 1wfg s VAL 54 CO 0.20 0.01 -0.10 -0.69 0.00 0.00 0.00 175.10 174.52 1wfg s VAL 55 N 0.21 2.35 0.35 2.92 1.01 -0.63 -4.93 120.40 121.69 1wfg s VAL 55 Ca -0.01 -1.41 0.04 0.00 0.00 0.00 0.00 61.98 60.60 1wfg s VAL 55 Cb -0.02 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 34.13 1wfg s VAL 55 CO -0.01 0.09 0.48 0.61 0.00 0.00 0.00 175.10 176.27 1wfg n GLY 56 N 4.52 1.70 2.59 4.51 0.00 -1.26 -2.17 105.19 115.07 1wfg n GLY 56 Ca -0.15 -2.15 -0.15 0.00 0.00 0.00 0.00 46.02 43.57 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 0.87 1.46 3.65 -0.02 0.00 -1.22 -4.09 105.19 105.85 1wfg n GLY 57 Ca 0.09 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.20 4.12 -0.47 1.61 2.20 -1.24 -4.62 119.74 118.13 1wfg s LYS 58 Ca 0.00 1.34 -0.28 0.00 -0.36 0.00 0.00 55.97 56.66 1wfg s LYS 58 Cb 0.00 -3.76 0.03 0.00 -1.51 0.00 0.00 37.83 32.59 1wfg s LYS 58 CO 0.00 -0.84 1.11 1.41 -0.36 0.00 0.00 175.35 176.67 1wfg s MET 59 N 3.63 3.70 0.00 4.03 -2.45 -1.26 -3.30 119.30 123.65 1wfg s MET 59 Ca 0.50 0.51 0.00 0.00 -1.25 0.00 0.00 55.69 55.45 1wfg s MET 59 Cb -0.16 -3.91 0.00 0.00 1.25 0.00 0.00 34.83 32.01 1wfg s MET 59 CO 0.15 -1.36 0.00 0.25 1.05 0.00 0.00 175.02 175.11 1wfg n THR 60 N 6.78 0.00 0.07 10.11 -2.24 0.30 -4.92 114.28 124.38 1wfg n THR 60 Ca 0.11 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.80 1wfg n THR 60 Cb 0.49 -1.85 -0.13 0.00 -2.10 0.00 0.00 70.33 66.74 1wfg n THR 60 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1wfg h GLU 61 N 0.00 0.06 -0.81 -0.78 4.81 -1.95 -3.16 114.58 112.75 1wfg h GLU 61 Ca 0.00 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1wfg h GLU 61 Cb 0.00 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1wfg h GLU 61 CO 0.00 1.03 0.05 0.45 -0.73 0.00 0.00 179.01 179.81 1wfg n SER 62 N -3.38 3.51 -1.43 1.04 2.88 -1.26 -4.84 113.62 110.15 1wfg n SER 62 Ca -0.03 -2.55 -0.18 0.00 -1.33 0.00 0.00 58.87 54.78 1wfg n SER 62 Cb 0.96 -0.61 -0.08 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.23 1.76 3.89 0.46 0.00 -1.19 -4.95 105.19 105.38 1wfg n GLY 63 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.56 3.73 -0.08 1.61 1.81 -1.26 -4.76 118.95 116.44 1wfg s ARG 64 Ca 0.00 0.21 0.01 0.00 -1.72 0.00 0.00 55.73 54.23 1wfg s ARG 64 Cb 0.00 -2.59 -0.02 0.00 -0.45 0.00 0.00 34.95 31.88 1wfg s ARG 64 CO 0.00 0.21 -0.10 -0.51 -0.68 0.00 0.00 175.30 174.21 1wfg s LEU 65 N -3.31 2.93 0.04 2.53 1.43 -1.26 -0.54 118.68 120.50 1wfg s LEU 65 Ca 0.47 -0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 53.19 1wfg s LEU 65 Cb -0.11 -1.63 0.05 0.00 0.03 0.00 0.00 46.19 44.53 1wfg s LEU 65 CO 0.26 0.29 0.50 0.00 0.23 0.00 0.00 176.35 177.64 1wfg s ALA 67 N -2.34 3.56 0.03 0.00 0.00 -1.26 -3.71 121.76 118.05 1wfg s ALA 67 Ca -0.06 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 50.97 1wfg s ALA 67 Cb -0.01 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 1wfg s ALA 67 CO -0.01 -0.40 -0.21 -0.06 0.00 0.00 0.00 175.76 175.08 1wfg s PHE 68 N 1.46 2.47 0.19 0.00 0.08 -0.92 -1.06 117.98 120.20 1wfg s PHE 68 Ca 0.07 -0.32 -0.31 0.00 0.12 0.00 0.00 56.93 56.49 1wfg s PHE 68 Cb -0.15 -1.46 -0.10 0.00 -0.57 0.00 0.00 43.02 40.74 1wfg s PHE 68 CO 0.08 0.17 1.54 0.42 -0.10 0.00 0.00 175.22 177.33 1wfg s ILE 69 N -0.83 2.61 -0.20 0.64 1.01 -0.51 -1.60 121.20 122.31 1wfg s ILE 69 Ca 0.13 0.45 0.02 0.00 0.00 0.00 0.00 60.65 61.25 1wfg s ILE 69 Cb -0.10 -3.29 -0.13 0.00 0.01 0.00 0.00 42.46 38.94 1wfg s ILE 69 CO 0.03 0.05 -0.18 0.35 0.00 0.00 0.00 174.94 175.19 1wfg n THR 70 N 3.49 1.15 -3.64 2.92 -2.24 -1.03 -2.01 114.28 112.92 1wfg n THR 70 Ca 0.12 -0.44 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 1wfg n THR 70 Cb 0.39 -1.21 -0.08 0.00 -2.10 0.00 0.00 70.33 67.33 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 -2.40 0.79 -0.14 -0.78 2.20 -1.26 -4.79 119.74 113.36 1wfg s LYS 71 Ca -0.27 0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 56.02 1wfg s LYS 71 Cb 0.07 0.38 0.05 0.00 -1.51 0.00 0.00 37.83 36.82 1wfg s LYS 71 CO 0.46 -0.14 0.04 0.54 -0.36 0.00 0.00 175.35 175.90 1wfg s VAL 72 N -0.03 0.32 0.40 4.02 0.11 -1.26 0.11 120.40 124.06 1wfg s VAL 72 Ca -0.03 -0.22 -0.26 0.00 -2.93 0.00 0.00 61.98 58.55 1wfg s VAL 72 Cb -0.04 -0.74 -0.11 0.00 -1.53 0.00 0.00 36.38 33.97 1wfg s VAL 72 CO 0.03 -0.06 1.19 1.17 -3.33 0.00 0.00 175.10 174.09 1wfg n LYS 73 N 5.14 1.78 -3.00 1.54 3.00 -0.97 -4.91 118.16 120.74 1wfg n LYS 73 Ca -0.08 0.63 -0.43 0.00 -0.00 0.00 0.00 58.31 58.43 1wfg n LYS 73 Cb 0.49 -2.25 -0.05 0.00 0.00 0.00 0.00 35.03 33.21 1wfg n LYS 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1wfg s LYS 74 N -2.06 3.23 0.00 1.64 2.36 -1.26 -3.67 119.74 119.98 1wfg s LYS 74 Ca 0.60 -0.58 0.00 0.00 -2.55 0.00 0.00 55.97 53.44 1wfg s LYS 74 Cb -0.54 -4.07 0.00 0.00 -1.05 0.00 0.00 37.83 32.16 1wfg s LYS 74 CO 0.59 -1.35 0.00 0.41 1.55 0.00 0.00 175.35 176.55 1wfg n GLY 75 N 5.14 1.88 3.66 5.54 0.00 -1.26 -5.08 105.19 115.08 1wfg n GLY 75 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1wfg n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfg s SER 76 N -2.00 4.20 0.08 1.61 0.15 -1.24 -4.84 113.70 111.66 1wfg s SER 76 Ca 0.00 -1.06 -0.17 0.00 0.70 0.00 0.00 55.95 55.42 1wfg s SER 76 Cb 0.00 -0.50 -0.05 0.00 -1.71 0.00 0.00 66.02 63.76 1wfg s SER 76 CO 0.00 -0.34 1.29 -0.07 1.20 0.00 0.00 173.24 175.33 1wfg h LEU 77 N 1.71 -1.07 -5.20 3.45 3.38 -1.92 1.65 115.31 117.32 1wfg h LEU 77 Ca -0.43 0.15 -0.40 0.00 0.09 0.00 0.00 57.88 57.29 1wfg h LEU 77 Cb 1.25 0.45 0.01 0.00 0.09 0.00 0.00 40.66 42.46 1wfg h LEU 77 CO 0.69 -0.18 2.47 0.00 0.09 0.00 0.00 178.44 181.51 1wfg n ALA 78 N -3.00 5.23 0.00 1.53 0.00 -1.26 -1.19 120.51 121.81 1wfg n ALA 78 Ca -0.01 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.27 1wfg n ALA 78 Cb 0.16 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 16.65 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 3.87 0.00 0.08 0.00 2.03 -0.18 -3.98 116.55 118.37 1wfg n ASP 79 Ca 0.49 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.57 1wfg n ASP 79 Cb 0.22 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.47 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 0.97 0.00 5.18 1.35 0.27 -2.72 112.91 117.96 1wfg h THR 80 Ca 0.00 -2.52 -0.29 0.00 -0.55 0.00 0.00 66.41 63.05 1wfg h THR 80 Cb 0.00 2.79 -0.05 0.00 -1.73 0.00 0.00 68.15 69.16 1wfg h THR 80 CO 0.00 0.85 -2.11 1.33 -0.25 0.00 0.00 175.52 175.34 1wfg n VAL 81 N -3.63 1.12 0.11 6.82 0.24 -0.44 -4.57 118.33 117.98 1wfg n VAL 81 Ca -0.24 -0.44 -0.18 0.00 -2.04 0.00 0.00 64.34 61.45 1wfg n VAL 81 Cb 1.07 -1.17 -0.13 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 1.55 0.42 -5.84 7.63 0.00 -1.38 -3.45 103.07 102.01 1wfg h GLY 82 Ca -0.44 -1.00 -0.39 0.00 0.00 0.00 0.00 47.33 45.51 1wfg h GLY 82 CO -0.06 0.87 -0.71 1.42 0.00 0.00 0.00 176.54 178.06 1wfg n HIS 83 N -3.62 -2.66 -1.95 5.60 -0.00 -1.03 -4.75 115.22 106.81 1wfg n HIS 83 Ca -0.10 0.99 -0.29 0.00 -0.00 0.00 0.00 57.72 58.31 1wfg n HIS 83 Cb 1.00 -4.96 0.17 0.00 -0.00 0.00 0.00 29.99 26.20 1wfg n HIS 83 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1wfg s LEU 84 N -7.07 2.69 0.03 2.41 1.43 -1.26 -4.90 118.68 112.02 1wfg s LEU 84 Ca 0.44 0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 53.72 1wfg s LEU 84 Cb -0.20 -2.47 0.03 0.00 0.03 0.00 0.00 46.19 43.58 1wfg s LEU 84 CO 0.74 -2.56 0.36 -0.13 0.23 0.00 0.00 176.35 174.99 1wfg s ARG 85 N -5.81 0.85 -0.63 1.70 0.52 -1.26 -4.78 118.95 109.54 1wfg s ARG 85 Ca 0.72 -0.38 -0.27 0.00 -0.52 0.00 0.00 55.73 55.28 1wfg s ARG 85 Cb -0.05 0.37 0.01 0.00 0.52 0.00 0.00 34.95 35.80 1wfg s ARG 85 CO 0.52 -0.28 1.54 -1.25 0.02 0.00 0.00 175.30 175.85 1wfg s PRO 86 N -2.32 3.03 0.00 3.54 0.04 -1.26 -2.87 135.00 135.16 1wfg s PRO 86 Ca -0.06 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1wfg s PRO 86 Cb -0.01 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1wfg s PRO 86 CO -0.02 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.16 1wfg n GLY 87 N 5.45 0.51 3.56 0.56 0.00 -0.85 -4.92 105.19 109.50 1wfg n GLY 87 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 0.99 -0.29 1.61 1.11 -1.14 -4.72 116.67 114.24 1wfg s ASP 88 Ca 0.00 0.83 -0.00 0.00 0.18 0.00 0.00 52.55 53.56 1wfg s ASP 88 Cb 0.00 -1.22 0.09 0.00 1.07 0.00 0.00 42.92 42.86 1wfg s ASP 88 CO 0.00 -4.10 0.06 -0.70 1.18 0.00 0.00 175.17 171.60 1wfg s GLU 89 N -5.20 0.98 -0.64 8.23 2.12 -1.26 -1.42 118.70 121.51 1wfg s GLU 89 Ca 0.69 -1.09 -0.27 0.00 0.36 0.00 0.00 54.97 54.66 1wfg s GLU 89 Cb -0.13 -2.30 -0.00 0.00 0.26 0.00 0.00 34.13 31.96 1wfg s GLU 89 CO 0.57 -0.86 1.65 0.54 -0.54 0.00 0.00 175.26 176.62 1wfg s VAL 90 N 1.50 3.49 0.03 3.70 0.11 -0.22 -2.67 120.40 126.34 1wfg s VAL 90 Ca 0.06 0.30 -0.27 0.00 -2.93 0.00 0.00 61.98 59.13 1wfg s VAL 90 Cb -0.18 -4.27 -0.17 0.00 -1.53 0.00 0.00 36.38 30.24 1wfg s VAL 90 CO -0.17 -1.21 1.32 -0.07 -3.33 0.00 0.00 175.10 171.64 1wfg h LEU 91 N 15.14 -0.56 -9.54 2.54 3.38 0.37 -3.38 115.31 123.26 1wfg h LEU 91 Ca -0.27 -0.07 -0.61 0.00 0.09 0.00 0.00 57.88 57.02 1wfg h LEU 91 Cb 1.12 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.89 1wfg h LEU 91 CO 1.23 -0.24 -0.63 -1.61 0.09 0.00 0.00 178.44 177.28 1wfg s GLU 92 N -5.08 1.88 -0.34 1.13 2.02 -0.55 0.20 118.70 117.95 1wfg s GLU 92 Ca -0.15 -2.03 0.01 0.00 0.02 0.00 0.00 54.97 52.82 1wfg s GLU 92 Cb 0.02 -1.60 0.14 0.00 0.10 0.00 0.00 34.13 32.80 1wfg s GLU 92 CO 0.54 0.01 0.31 -0.46 0.02 0.00 0.00 175.26 175.68 1wfg s TRP 93 N -2.72 -0.13 -0.33 1.61 -0.11 0.11 -2.11 118.94 115.25 1wfg s TRP 93 Ca 0.34 -0.79 0.00 0.00 1.22 0.00 0.00 56.10 56.87 1wfg s TRP 93 Cb 0.07 -0.54 0.00 0.00 -1.50 0.00 0.00 33.47 31.50 1wfg s TRP 93 CO 0.17 -0.92 0.00 -1.71 -4.62 0.00 0.00 176.95 169.87 1wfg n ASN 94 N 4.56 -3.35 0.00 5.86 2.85 0.56 -2.66 115.26 123.08 1wfg n ASN 94 Ca 0.07 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1wfg n ASN 94 Cb 0.44 -1.16 0.00 0.00 1.24 0.00 0.00 39.78 40.30 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 -2.58 0.27 3.57 8.20 0.00 -1.24 -4.81 105.19 108.60 1wfg n GLY 95 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.82 3.62 0.17 1.61 1.81 -1.09 -5.01 118.95 119.25 1wfg s ARG 96 Ca 0.00 0.17 -0.31 0.00 -1.72 0.00 0.00 55.73 53.87 1wfg s ARG 96 Cb 0.00 -3.86 -0.09 0.00 -0.45 0.00 0.00 34.95 30.54 1wfg s ARG 96 CO 0.00 -0.98 1.48 -1.17 -0.68 0.00 0.00 175.30 173.95 1wfg s LEU 97 N 3.25 4.38 0.02 2.53 2.96 -1.26 0.05 118.68 130.60 1wfg s LEU 97 Ca 0.32 2.55 0.20 0.00 -0.22 0.00 0.00 54.13 56.98 1wfg s LEU 97 Cb -0.12 -3.60 -0.21 0.00 0.50 0.00 0.00 46.19 42.76 1wfg s LEU 97 CO 0.20 -0.74 0.61 0.18 -1.32 0.00 0.00 176.35 175.28 1wfg n LEU 98 N 3.51 0.36 -4.62 -0.68 4.77 0.52 -4.66 117.00 116.21 1wfg n LEU 98 Ca 0.11 0.15 -0.48 0.00 -0.03 0.00 0.00 56.01 55.76 1wfg n LEU 98 Cb 0.40 0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 1wfg n LEU 98 CO 0.60 0.06 1.62 0.00 -1.33 0.00 0.00 177.39 178.35 1wfg n GLN 99 N -2.55 1.88 0.00 3.23 6.02 -1.21 0.06 117.38 124.81 1wfg n GLN 99 Ca -0.09 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 1wfg n GLN 99 Cb 0.71 -2.70 0.00 0.00 1.02 0.00 0.00 30.24 29.27 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 5.12 2.82 3.68 1.08 0.00 0.49 -4.97 105.19 113.42 1wfg n GLY 100 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.02 1.09 -1.64 4.61 0.00 0.11 -4.69 120.51 119.97 1wfg n ALA 101 Ca 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.52 1wfg n ALA 101 Cb 0.00 -2.22 0.13 0.00 0.00 0.00 0.00 19.45 17.36 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 -1.08 1.99 0.27 0.00 -4.23 -1.26 -3.38 115.64 107.95 1wfg s THR 102 Ca 0.56 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1wfg s THR 102 Cb -0.59 -2.82 0.26 0.00 1.34 0.00 0.00 72.50 70.69 1wfg s THR 102 CO 0.62 0.00 1.73 0.15 -0.54 0.00 0.00 174.62 176.58 1wfg h PHE 103 N -1.43 0.70 0.09 3.99 3.04 -1.82 -0.09 116.94 121.42 1wfg h PHE 103 Ca -0.49 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.49 1wfg h PHE 103 Cb 1.32 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.66 1wfg h PHE 103 CO 0.12 0.09 -0.04 0.93 -2.02 0.00 0.00 178.31 177.38 1wfg h GLU 104 N 0.52 -0.12 -0.75 1.11 5.08 -1.92 -2.57 114.58 115.94 1wfg h GLU 104 Ca 0.49 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 59.02 1wfg h GLU 104 Cb 0.80 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.94 1wfg h GLU 104 CO -0.43 0.32 -0.11 0.93 -1.00 0.00 0.00 179.01 178.72 1wfg h GLU 105 N -0.60 0.04 -0.39 2.33 5.08 -1.65 1.62 114.58 121.00 1wfg h GLU 105 Ca -0.01 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1wfg h GLU 105 Cb 0.49 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1wfg h GLU 105 CO 0.02 0.02 0.21 0.28 -1.00 0.00 0.00 179.01 178.54 1wfg h VAL 106 N 0.04 1.00 0.39 3.13 2.07 -1.05 -1.61 116.25 120.22 1wfg h VAL 106 Ca 0.38 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 1wfg h VAL 106 Cb 0.63 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1wfg h VAL 106 CO -0.72 0.08 -0.19 0.22 0.02 0.00 0.00 177.57 176.97 1wfg h TYR 107 N 0.42 -0.49 -0.99 1.57 5.03 0.19 -2.84 116.97 119.85 1wfg h TYR 107 Ca 0.16 -0.01 0.34 0.00 2.58 0.00 0.00 58.73 61.80 1wfg h TYR 107 Cb 0.05 0.16 -0.16 0.00 1.55 0.00 0.00 36.73 38.33 1wfg h TYR 107 CO -0.09 -0.18 0.51 -0.91 -1.32 0.00 0.00 178.16 176.17 1wfg h ASN 108 N -0.77 0.37 0.00 -2.11 2.35 0.23 0.71 115.58 116.37 1wfg h ASN 108 Ca -0.05 0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1wfg h ASN 108 Cb 0.52 0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1wfg h ASN 108 CO 0.09 -0.24 0.00 -0.38 -1.65 0.00 0.00 177.43 175.25 1wfg n ILE 109 N -5.15 0.00 -0.28 2.81 5.41 -0.62 0.19 119.36 121.72 1wfg n ILE 109 Ca 0.33 1.33 0.10 0.00 1.00 0.00 0.00 62.75 65.50 1wfg n ILE 109 Cb 1.05 -2.26 0.25 0.00 -0.71 0.00 0.00 39.64 37.97 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 0.35 -0.56 1.39 2.04 -1.04 1.79 117.51 121.48 1wfg h ILE 110 Ca 0.00 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1wfg h ILE 110 Cb 0.00 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 1wfg h ILE 110 CO 0.00 0.04 0.33 0.25 0.00 0.00 0.00 178.15 178.77 1wfg h LEU 111 N 0.20 0.66 -0.11 1.44 7.12 0.57 0.46 115.31 125.66 1wfg h LEU 111 Ca 0.51 -0.03 -0.23 0.00 0.13 0.00 0.00 57.88 58.25 1wfg h LEU 111 Cb 0.97 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 1wfg h LEU 111 CO -0.64 0.52 -1.01 -0.33 -0.13 0.00 0.00 178.44 176.85 1wfg h GLU 112 N 0.77 0.34 -0.87 1.25 4.39 1.34 -3.10 114.58 118.69 1wfg h GLU 112 Ca 0.20 -0.41 -0.17 0.00 0.34 0.00 0.00 59.36 59.32 1wfg h GLU 112 Cb -0.02 0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 28.66 1wfg h GLU 112 CO -0.04 1.11 0.21 0.43 -1.16 0.00 0.00 179.01 179.57 1wfg n SER 113 N -3.68 3.71 0.01 1.42 7.64 0.45 -4.25 113.62 118.92 1wfg n SER 113 Ca -0.07 -2.80 -0.13 0.00 1.01 0.00 0.00 58.87 56.89 1wfg n SER 113 Cb 0.88 -0.67 -0.10 0.00 -1.01 0.00 0.00 64.21 63.32 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 1.53 -0.08 0.00 1.43 1.57 -0.87 -3.19 116.57 116.96 1wfg h LYS 114 Ca 0.21 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1wfg h LYS 114 Cb 1.81 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.14 1wfg h LYS 114 CO 0.51 0.43 -0.09 -1.00 -0.57 0.00 0.00 179.45 178.72 1wfg h PRO 115 N -0.65 0.00 -6.12 3.15 0.13 -1.82 -3.42 132.00 123.27 1wfg h PRO 115 Ca -0.01 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.48 1wfg h PRO 115 Cb 0.55 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.80 1wfg h PRO 115 CO 0.01 0.09 -0.51 0.39 -0.23 0.00 0.00 178.00 177.76 1wfg n GLU 116 N -3.16 0.28 0.10 0.86 -0.58 -1.21 -4.86 120.64 112.07 1wfg n GLU 116 Ca 0.02 0.10 -0.06 0.00 -0.42 0.00 0.00 57.16 56.80 1wfg n GLU 116 Cb 0.45 -1.20 0.05 0.00 -0.57 0.00 0.00 31.44 30.17 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 0.11 -4.22 3.49 0.13 -1.89 -3.46 132.00 127.12 1wfg h PRO 117 Ca -0.33 -0.11 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 1wfg h PRO 117 Cb 1.42 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 32.42 1wfg h PRO 117 CO 0.54 0.83 -0.68 1.14 -0.23 0.00 0.00 178.00 179.61 1wfg s GLN 118 N -3.33 0.58 -0.15 0.86 -2.07 -1.26 -1.65 119.66 112.65 1wfg s GLN 118 Ca -0.02 -1.16 -0.04 0.00 -1.82 0.00 0.00 55.36 52.33 1wfg s GLN 118 Cb 0.11 0.19 0.05 0.00 -1.09 0.00 0.00 33.01 32.27 1wfg s GLN 118 CO 0.80 -0.10 0.06 0.08 -1.32 0.00 0.00 175.29 174.81 1wfg s VAL 119 N -3.65 0.10 -0.48 3.63 1.01 -0.82 -4.93 120.40 115.27 1wfg s VAL 119 Ca 0.05 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 1wfg s VAL 119 Cb 0.06 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.88 1wfg s VAL 119 CO -0.09 -0.14 0.51 -0.70 0.00 0.00 0.00 175.10 174.68 1wfg s GLU 120 N 2.06 3.06 0.52 2.72 2.12 -1.26 -1.35 118.70 126.58 1wfg s GLU 120 Ca 0.02 -1.05 -0.06 0.00 0.36 0.00 0.00 54.97 54.25 1wfg s GLU 120 Cb -0.15 -4.09 -0.02 0.00 0.26 0.00 0.00 34.13 30.12 1wfg s GLU 120 CO -0.07 -1.09 0.83 -0.51 -0.54 0.00 0.00 175.26 173.88 1wfg s LEU 121 N 2.18 3.48 -0.27 2.70 1.43 0.54 0.21 118.68 128.95 1wfg s LEU 121 Ca 0.10 0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 54.08 1wfg s LEU 121 Cb -0.21 -3.81 0.13 0.00 0.03 0.00 0.00 46.19 42.33 1wfg s LEU 121 CO 0.10 -0.75 0.30 -0.69 0.23 0.00 0.00 176.35 175.55 1wfg s VAL 122 N -2.84 -0.43 0.24 -1.59 1.01 -0.90 -1.97 120.40 113.91 1wfg s VAL 122 Ca 0.50 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.20 1wfg s VAL 122 Cb -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1wfg s VAL 122 CO 0.45 -0.37 0.10 0.54 0.00 0.00 0.00 175.10 175.83 1wfg s VAL 123 N 2.39 4.04 -0.08 2.92 0.11 0.19 0.28 120.40 130.24 1wfg s VAL 123 Ca 0.09 -1.53 0.03 0.00 -2.93 0.00 0.00 61.98 57.64 1wfg s VAL 123 Cb -0.14 -3.14 0.01 0.00 -1.53 0.00 0.00 36.38 31.57 1wfg s VAL 123 CO -0.27 -0.30 -0.18 -0.55 -3.33 0.00 0.00 175.10 170.47 1wfg s SER 124 N -3.59 2.45 0.28 3.54 0.15 -1.09 0.44 113.70 115.89 1wfg s SER 124 Ca 0.31 -0.43 0.09 0.00 0.70 0.00 0.00 55.95 56.63 1wfg s SER 124 Cb -0.08 -1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.11 1wfg s SER 124 CO 0.22 0.11 0.01 -0.60 1.20 0.00 0.00 173.24 174.18 1wfg s ARG 125 N 0.44 2.28 -0.30 5.44 3.52 0.57 -4.51 118.95 126.39 1wfg s ARG 125 Ca -0.16 -1.46 -0.08 0.00 -0.13 0.00 0.00 55.73 53.90 1wfg s ARG 125 Cb -0.16 -2.14 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 1wfg s ARG 125 CO 0.06 0.32 0.11 -1.54 -0.81 0.00 0.00 175.30 173.44 1wfg s SER 126 N -3.70 5.30 0.03 -2.12 1.04 -1.26 0.60 113.70 113.59 1wfg s SER 126 Ca 0.32 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1wfg s SER 126 Cb -0.05 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.13 1wfg s SER 126 CO 0.20 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1wfg n GLY 127 N 4.92 1.74 3.81 7.32 0.00 0.15 -4.93 105.19 118.19 1wfg n GLY 127 Ca -0.14 -2.05 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 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 0.92 2.42 -0.40 1.61 0.04 -1.26 -4.84 135.00 133.49 1wfg s PRO 128 Ca 0.00 0.75 0.03 0.00 0.04 0.00 0.00 61.00 61.83 1wfg s PRO 128 Cb 0.00 -1.95 0.16 0.00 0.04 0.00 0.00 34.50 32.75 1wfg s PRO 128 CO 0.00 -1.41 0.38 -1.54 0.04 0.00 0.00 177.00 174.46 1wfg s SER 129 N -3.87 1.26 0.67 6.66 1.04 -1.26 -4.24 113.70 113.96 1wfg s SER 129 Ca 0.60 -2.23 -0.17 0.00 0.48 0.00 0.00 55.95 54.63 1wfg s SER 129 Cb -0.14 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 1wfg s SER 129 CO 0.54 -0.21 0.66 -1.54 0.98 0.00 0.00 173.24 173.67 1wfg n SER 130 N 3.56 -0.62 0.00 7.02 3.41 -1.26 -5.17 113.62 120.56 1wfg n SER 130 Ca 0.19 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 1wfg n SER 130 Cb 0.46 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1wfg n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49