#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 4.49 0.28 1.61 1.04 -1.26 -5.14 113.70 114.72 1wfg s SER 2 Ca 0.00 -1.13 0.04 0.00 0.48 0.00 0.00 55.95 55.33 1wfg s SER 2 Cb 0.00 -0.23 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 1wfg s SER 2 CO 0.00 -0.68 0.43 -0.44 0.98 0.00 0.00 173.24 173.53 1wfg s SER 3 N -3.99 6.28 0.00 7.02 0.01 -1.26 -5.11 113.70 116.65 1wfg s SER 3 Ca 0.37 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1wfg s SER 3 Cb 0.02 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.38 1wfg s SER 3 CO 0.21 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1wfg n GLY 4 N -1.56 0.68 1.66 3.44 0.00 -1.26 -5.08 105.19 103.07 1wfg n GLY 4 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -8.27 -3.77 1.61 7.64 -1.26 -5.09 113.62 104.48 1wfg n SER 5 Ca 0.00 1.16 -0.06 0.00 1.01 0.00 0.00 58.87 60.98 1wfg n SER 5 Cb 0.00 -4.25 -0.02 0.00 -1.01 0.00 0.00 64.21 58.93 1wfg n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfg s SER 6 N -1.48 -0.22 0.00 6.43 0.15 -1.26 -5.13 113.70 112.20 1wfg s SER 6 Ca 0.00 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1wfg s SER 6 Cb 0.00 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1wfg s SER 6 CO 0.00 -1.23 0.00 0.61 1.20 0.00 0.00 173.24 173.82 1wfg n GLY 7 N -0.47 -0.01 3.70 9.45 0.00 -1.26 -5.19 105.19 111.41 1wfg n GLY 7 Ca -0.05 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.31 1wfg n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wfg s HIS 8 N 0.00 -0.03 0.28 1.61 5.65 -1.26 -5.14 115.29 116.40 1wfg s HIS 8 Ca 0.00 -0.11 -0.26 0.00 0.25 0.00 0.00 55.06 54.95 1wfg s HIS 8 Cb 0.00 0.57 -0.16 0.00 -1.18 0.00 0.00 32.58 31.80 1wfg s HIS 8 CO 0.00 -0.36 0.41 -1.13 -0.65 0.00 0.00 174.74 173.01 1wfg n SER 9 N -0.62 -1.62 -3.95 9.88 3.41 -1.26 -4.84 113.62 114.62 1wfg n SER 9 Ca -0.06 1.02 -0.43 0.00 -0.26 0.00 0.00 58.87 59.14 1wfg n SER 9 Cb 0.62 -0.95 0.01 0.00 -0.26 0.00 0.00 64.21 63.63 1wfg n SER 9 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1wfg n HIS 10 N -0.35 2.30 -3.23 7.33 -0.00 -1.26 -4.82 115.22 115.19 1wfg n HIS 10 Ca 0.15 -2.58 -0.24 0.00 -0.00 0.00 0.00 57.72 55.05 1wfg n HIS 10 Cb 0.31 -1.24 0.02 0.00 -0.00 0.00 0.00 29.99 29.09 1wfg n HIS 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1wfg n SER 11 N 1.12 -6.50 -3.61 0.26 7.64 -1.26 -4.95 113.62 106.33 1wfg n SER 11 Ca 0.29 0.19 -0.27 0.00 1.01 0.00 0.00 58.87 60.09 1wfg n SER 11 Cb 0.32 -3.01 -0.10 0.00 -1.01 0.00 0.00 64.21 60.41 1wfg n SER 11 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wfg n ASP 12 N -0.05 2.15 -4.12 6.43 8.00 -1.26 -5.05 116.55 122.66 1wfg n ASP 12 Ca -0.01 -3.03 -0.33 0.00 0.71 0.00 0.00 54.79 52.12 1wfg n ASP 12 Cb 0.56 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 40.84 1wfg n ASP 12 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1wfg s LYS 13 N -1.35 2.41 0.48 -1.24 -2.85 -1.26 -5.09 119.74 110.84 1wfg s LYS 13 Ca 0.31 -1.25 -0.19 0.00 -1.00 0.00 0.00 55.97 53.84 1wfg s LYS 13 Cb 0.04 -2.98 -0.13 0.00 -2.06 0.00 0.00 37.83 32.70 1wfg s LYS 13 CO -0.13 -0.55 0.19 0.72 0.10 0.00 0.00 175.35 175.68 1wfg n HIS 14 N 4.53 -1.79 0.24 1.78 8.25 -1.26 -4.84 115.22 122.14 1wfg n HIS 14 Ca -0.14 0.51 0.14 0.00 -0.26 0.00 0.00 57.72 57.97 1wfg n HIS 14 Cb 0.43 -1.82 0.42 0.00 1.12 0.00 0.00 29.99 30.14 1wfg n HIS 14 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1wfg h PRO 15 N 0.26 0.00 -6.18 -0.41 0.13 -1.93 -3.43 132.00 120.44 1wfg h PRO 15 Ca -0.41 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.03 1wfg h PRO 15 Cb 1.43 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.36 1wfg h PRO 15 CO 0.46 0.03 -0.70 0.08 -0.23 0.00 0.00 178.00 177.63 1wfg s VAL 16 N -3.44 3.61 -0.20 1.56 1.01 -1.26 -1.73 120.40 119.96 1wfg s VAL 16 Ca 0.04 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 1wfg s VAL 16 Cb 0.07 -2.47 0.08 0.00 0.00 0.00 0.00 36.38 34.05 1wfg s VAL 16 CO 0.61 0.59 0.46 0.42 0.00 0.00 0.00 175.10 177.18 1wfg s THR 17 N -0.81 -0.27 -0.27 3.92 -4.23 0.42 -4.99 115.64 109.41 1wfg s THR 17 Ca 0.13 0.10 0.03 0.00 -1.18 0.00 0.00 61.69 60.76 1wfg s THR 17 Cb -0.11 -0.70 0.06 0.00 1.34 0.00 0.00 72.50 73.09 1wfg s THR 17 CO 0.02 0.04 -0.09 0.26 -0.54 0.00 0.00 174.62 174.31 1wfg s TRP 18 N 1.89 3.21 0.05 3.99 0.52 -1.26 0.59 118.94 127.93 1wfg s TRP 18 Ca -0.07 -2.33 0.02 0.00 0.02 0.00 0.00 56.10 53.74 1wfg s TRP 18 Cb -0.09 -1.99 -0.03 0.00 -1.15 0.00 0.00 33.47 30.21 1wfg s TRP 18 CO -0.14 -0.88 -0.07 -0.65 0.02 0.00 0.00 176.95 175.23 1wfg s GLN 19 N 1.12 0.55 0.66 4.98 -1.52 -0.85 -4.97 119.66 119.62 1wfg s GLN 19 Ca -0.06 -0.81 -0.13 0.00 -1.95 0.00 0.00 55.36 52.41 1wfg s GLN 19 Cb -0.20 -0.25 -0.01 0.00 -0.22 0.00 0.00 33.01 32.33 1wfg s GLN 19 CO -0.06 0.04 1.06 -1.25 -0.25 0.00 0.00 175.29 174.83 1wfg s PRO 20 N -1.83 3.10 0.80 2.91 0.04 -1.26 0.19 135.00 138.96 1wfg s PRO 20 Ca -0.08 1.03 -0.14 0.00 0.04 0.00 0.00 61.00 61.86 1wfg s PRO 20 Cb -0.08 -2.01 0.19 0.00 0.04 0.00 0.00 34.50 32.64 1wfg s PRO 20 CO -0.00 -0.97 0.92 -1.13 0.04 0.00 0.00 177.00 175.86 1wfg n SER 21 N -2.72 -0.68 -0.11 6.66 3.41 0.14 -4.69 113.62 115.63 1wfg n SER 21 Ca 0.08 -1.21 -0.06 0.00 -0.26 0.00 0.00 58.87 57.41 1wfg n SER 21 Cb 0.53 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 0.27 4.33 6.56 -1.97 -2.85 116.57 122.73 1wfg h LYS 22 Ca -0.32 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.27 1wfg h LYS 22 Cb 0.90 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.61 1wfg h LYS 22 CO 0.22 -0.12 -0.13 -0.44 -2.06 0.00 0.00 179.45 176.92 1wfg h ASP 23 N -0.18 -0.31 0.00 0.86 5.19 -1.92 -3.48 116.42 116.58 1wfg h ASP 23 Ca 0.19 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1wfg h ASP 23 Cb 0.48 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1wfg h ASP 23 CO -0.50 -0.20 0.00 0.61 -3.12 0.00 0.00 179.24 176.03 1wfg n GLY 24 N -0.82 1.53 0.00 2.75 0.00 -1.08 -4.94 105.19 102.63 1wfg n GLY 24 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1wfg n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wfg n ASP 25 N 0.00 0.00 -4.31 1.61 8.00 -1.26 -4.67 116.55 115.92 1wfg n ASP 25 Ca 0.00 0.14 -0.27 0.00 0.71 0.00 0.00 54.79 55.37 1wfg n ASP 25 Cb 0.00 -0.35 -0.13 0.00 -0.02 0.00 0.00 41.12 40.62 1wfg n ASP 25 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1wfg s ARG 26 N -2.69 1.39 -0.09 -1.24 1.81 -1.26 0.17 118.95 117.04 1wfg s ARG 26 Ca 0.16 -1.13 0.02 0.00 -1.72 0.00 0.00 55.73 53.06 1wfg s ARG 26 Cb 0.13 -1.65 -0.02 0.00 -0.45 0.00 0.00 34.95 32.96 1wfg s ARG 26 CO 0.32 0.41 -0.12 -1.17 -0.68 0.00 0.00 175.30 174.06 1wfg s LEU 27 N -1.60 2.81 -0.40 2.53 1.98 0.49 0.28 118.68 124.77 1wfg s LEU 27 Ca 0.09 -0.22 -0.03 0.00 -2.89 0.00 0.00 54.13 51.09 1wfg s LEU 27 Cb -0.10 -1.60 0.11 0.00 0.66 0.00 0.00 46.19 45.25 1wfg s LEU 27 CO 0.04 0.28 0.19 -0.63 -1.89 0.00 0.00 176.35 174.33 1wfg s ILE 28 N -0.30 3.31 -0.18 6.68 -1.09 0.49 -0.54 121.20 129.57 1wfg s ILE 28 Ca 0.03 -1.99 -0.16 0.00 -2.23 0.00 0.00 60.65 56.30 1wfg s ILE 28 Cb -0.13 -3.24 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 1wfg s ILE 28 CO 0.03 -0.65 0.42 -0.83 -1.23 0.00 0.00 174.94 172.68 1wfg s GLY 29 N 1.81 2.15 -0.21 6.18 0.00 0.78 -2.01 107.32 116.02 1wfg s GLY 29 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1wfg s GLY 29 CO -0.04 0.81 -0.13 -1.60 0.00 0.00 0.00 173.10 172.14 1wfg s ARG 30 N 1.15 2.88 0.14 2.90 3.52 0.20 0.15 118.95 129.90 1wfg s ARG 30 Ca 0.21 -0.92 0.06 0.00 -0.13 0.00 0.00 55.73 54.95 1wfg s ARG 30 Cb -0.15 -2.78 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 1wfg s ARG 30 CO 0.08 -0.31 0.00 0.42 -0.81 0.00 0.00 175.30 174.68 1wfg s ILE 31 N 1.29 3.86 0.00 4.11 1.09 -0.60 -0.44 121.20 130.51 1wfg s ILE 31 Ca 0.02 -1.24 -0.00 0.00 -1.10 0.00 0.00 60.65 58.32 1wfg s ILE 31 Cb -0.15 -2.90 -0.00 0.00 -1.06 0.00 0.00 42.46 38.35 1wfg s ILE 31 CO -0.08 -0.02 0.00 -0.22 -0.10 0.00 0.00 174.94 174.52 1wfg s LEU 32 N -2.69 2.02 0.02 2.97 1.98 -0.71 0.15 118.68 122.42 1wfg s LEU 32 Ca 0.27 -0.11 0.01 0.00 -2.89 0.00 0.00 54.13 51.41 1wfg s LEU 32 Cb -0.10 0.07 -0.01 0.00 0.66 0.00 0.00 46.19 46.80 1wfg s LEU 32 CO 0.19 -0.08 -0.05 -0.76 -1.89 0.00 0.00 176.35 173.75 1wfg s LEU 33 N -0.39 2.13 -0.01 -0.68 1.43 0.50 -4.56 118.68 117.10 1wfg s LEU 33 Ca -0.04 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1wfg s LEU 33 Cb -0.03 -0.15 -0.00 0.00 0.03 0.00 0.00 46.19 46.04 1wfg s LEU 33 CO -0.00 -0.09 0.03 0.21 0.23 0.00 0.00 176.35 176.72 1wfg s ASN 34 N -0.83 0.01 -0.03 2.29 2.47 -1.26 0.90 114.94 118.48 1wfg s ASN 34 Ca -0.05 -0.02 0.09 0.00 0.42 0.00 0.00 52.86 53.30 1wfg s ASN 34 Cb -0.06 0.07 -0.14 0.00 -1.45 0.00 0.00 41.25 39.67 1wfg s ASN 34 CO -0.00 -0.06 0.16 0.29 -3.72 0.00 0.00 177.10 173.77 1wfg n LYS 35 N 2.83 0.91 -1.27 0.43 4.01 -0.23 -4.98 118.16 119.86 1wfg n LYS 35 Ca -0.14 -0.07 -0.45 0.00 -0.51 0.00 0.00 58.31 57.14 1wfg n LYS 35 Cb 0.59 -1.23 -0.13 0.00 -0.51 0.00 0.00 35.03 33.75 1wfg n LYS 35 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1wfg n ARG 36 N -1.98 0.00 0.00 1.97 1.74 -1.25 -4.25 116.66 112.89 1wfg n ARG 36 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1wfg n ARG 36 Cb 0.40 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 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 8.42 0.00 -0.15 0.55 4.77 -1.26 -4.60 117.00 124.72 1wfg n LEU 37 Ca 0.56 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1wfg n LEU 37 Cb -0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 1wfg n LEU 37 CO 0.84 -1.32 1.13 0.50 -1.33 0.00 0.00 177.39 177.20 1wfg h LYS 38 N 0.00 0.86 -0.35 3.23 1.63 -2.02 -1.89 116.57 118.03 1wfg h LYS 38 Ca 0.00 -0.10 -0.17 0.00 -0.85 0.00 0.00 60.65 59.54 1wfg h LYS 38 Cb 0.00 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1wfg h LYS 38 CO 0.00 0.64 -0.43 0.22 -3.45 0.00 0.00 179.45 176.44 1wfg h ASP 39 N 0.87 0.99 -0.85 4.20 3.58 -1.99 -3.48 116.42 119.74 1wfg h ASP 39 Ca 0.22 -0.49 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1wfg h ASP 39 Cb 0.05 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.82 1wfg h ASP 39 CO -0.03 1.27 0.00 0.61 -2.88 0.00 0.00 179.24 178.21 1wfg n GLY 40 N 0.21 0.49 0.00 -0.78 0.00 -0.71 -5.01 105.19 99.39 1wfg n GLY 40 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1wfg n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfg n SER 41 N -0.42 0.61 -1.72 1.61 7.64 -1.26 -4.89 113.62 115.19 1wfg n SER 41 Ca 0.00 -1.29 0.00 0.00 1.01 0.00 0.00 58.87 58.59 1wfg n SER 41 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1wfg n SER 41 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1wfg n VAL 42 N -0.14 -5.52 -1.31 0.44 0.31 -1.26 -4.93 118.33 105.91 1wfg n VAL 42 Ca 0.00 2.52 -0.22 0.00 -0.01 0.00 0.00 64.34 66.63 1wfg n VAL 42 Cb 0.39 -3.39 0.17 0.00 -0.91 0.00 0.00 33.84 30.10 1wfg n VAL 42 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1wfg n PRO 43 N -0.20 -1.78 -0.30 5.55 -0.04 -1.26 -4.85 135.00 132.12 1wfg n PRO 43 Ca 0.00 -1.43 0.13 0.00 -0.04 0.00 0.00 63.50 62.17 1wfg n PRO 43 Cb 0.00 -1.12 0.26 0.00 -0.04 0.00 0.00 33.50 32.60 1wfg n PRO 43 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wfg n ARG 44 N -3.55 -0.07 0.02 0.54 5.12 -1.26 -4.58 116.66 112.88 1wfg n ARG 44 Ca 0.12 1.32 0.00 0.00 -1.93 0.00 0.00 57.85 57.36 1wfg n ARG 44 Cb 0.44 -2.10 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 1wfg n ARG 44 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1wfg n ASP 45 N -5.28 -0.40 -2.56 0.55 9.92 -1.26 -5.09 116.55 112.43 1wfg n ASP 45 Ca 0.21 0.11 -0.03 0.00 -0.53 0.00 0.00 54.79 54.55 1wfg n ASP 45 Cb 0.68 0.66 0.00 0.00 -0.64 0.00 0.00 41.12 41.83 1wfg n ASP 45 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1wfg n SER 46 N -2.45 -6.29 -2.97 -2.24 2.88 -1.26 -4.55 113.62 96.74 1wfg n SER 46 Ca 0.00 0.17 -0.01 0.00 -1.33 0.00 0.00 58.87 57.70 1wfg n SER 46 Cb 0.00 -4.18 -0.01 0.00 -0.75 0.00 0.00 64.21 59.27 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 -0.96 -1.66 0.36 0.46 0.00 -1.26 -4.55 105.19 97.59 1wfg n GLY 47 Ca 0.04 0.42 0.06 0.00 0.00 0.00 0.00 46.02 46.54 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 4.15 1.58 -0.21 4.61 0.00 -1.95 0.42 119.26 127.86 1wfg h ALA 48 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wfg h ALA 48 Cb 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wfg h ALA 48 CO 0.02 0.25 0.00 -1.33 0.00 0.00 0.00 179.25 178.18 1wfg n MET 49 N -4.52 2.09 0.00 0.00 2.81 -1.26 -4.89 117.12 111.34 1wfg n MET 49 Ca 0.15 -1.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.02 1wfg n MET 49 Cb 0.27 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 0.22 0.00 0.00 4.03 7.99 0.15 -2.75 117.00 126.64 1wfg n LEU 50 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 1wfg n LEU 50 Cb 0.46 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 1wfg n LEU 50 CO 0.09 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.58 1wfg n GLY 51 N 0.00 0.30 3.97 -0.72 0.00 -1.26 -3.76 105.19 103.71 1wfg n GLY 51 Ca 0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1wfg n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wfg s LEU 52 N 0.00 3.93 -0.13 0.99 0.05 -1.11 -2.06 118.68 120.36 1wfg s LEU 52 Ca 0.00 0.13 -0.01 0.00 0.05 0.00 0.00 54.13 54.31 1wfg s LEU 52 Cb 0.00 -3.01 -0.02 0.00 -2.05 0.00 0.00 46.19 41.11 1wfg s LEU 52 CO 0.00 -0.44 -0.10 -0.75 -0.55 0.00 0.00 176.35 174.51 1wfg s LYS 53 N -4.30 3.35 0.05 1.48 2.36 -0.23 -4.85 119.74 117.60 1wfg s LYS 53 Ca 0.43 -0.63 0.07 0.00 -2.55 0.00 0.00 55.97 53.29 1wfg s LYS 53 Cb -0.10 -2.68 -0.03 0.00 -1.05 0.00 0.00 37.83 33.97 1wfg s LYS 53 CO 0.34 0.28 -0.16 0.08 1.55 0.00 0.00 175.35 177.45 1wfg s VAL 54 N 0.19 2.96 -0.18 4.02 1.01 -1.26 -1.62 120.40 125.51 1wfg s VAL 54 Ca -0.06 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 60.74 1wfg s VAL 54 Cb -0.15 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.01 1wfg s VAL 54 CO 0.04 0.30 -0.03 -0.69 0.00 0.00 0.00 175.10 174.73 1wfg s VAL 55 N -0.98 1.02 0.47 2.92 1.01 -1.10 -4.96 120.40 118.78 1wfg s VAL 55 Ca 0.16 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1wfg s VAL 55 Cb -0.11 -1.30 0.07 0.00 0.00 0.00 0.00 36.38 35.04 1wfg s VAL 55 CO 0.07 -0.01 0.60 0.61 0.00 0.00 0.00 175.10 176.37 1wfg n GLY 56 N 4.89 2.09 2.53 4.51 0.00 -1.26 -1.89 105.19 116.06 1wfg n GLY 56 Ca -0.11 -2.22 -0.01 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.70 0.30 3.65 -0.02 0.00 -1.22 -3.84 105.19 103.36 1wfg n GLY 57 Ca 0.11 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1wfg n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wfg s LYS 58 N -1.20 4.11 -0.46 1.61 2.20 -1.24 -4.64 119.74 120.12 1wfg s LYS 58 Ca 0.00 1.94 -0.28 0.00 -0.36 0.00 0.00 55.97 57.27 1wfg s LYS 58 Cb 0.00 -3.94 0.03 0.00 -1.51 0.00 0.00 37.83 32.41 1wfg s LYS 58 CO 0.00 -0.91 1.07 1.41 -0.36 0.00 0.00 175.35 176.56 1wfg s MET 59 N 4.04 3.70 0.29 4.03 -2.45 -1.26 -3.20 119.30 124.45 1wfg s MET 59 Ca 0.68 0.49 -0.05 0.00 -1.25 0.00 0.00 55.69 55.56 1wfg s MET 59 Cb -0.29 -3.90 0.07 0.00 1.25 0.00 0.00 34.83 31.96 1wfg s MET 59 CO 0.26 -1.30 0.35 0.25 1.05 0.00 0.00 175.02 175.63 1wfg n THR 60 N 6.65 0.00 0.24 10.11 -2.24 0.66 -4.90 114.28 124.80 1wfg n THR 60 Ca 0.10 -0.24 0.14 0.00 -2.27 0.00 0.00 64.05 61.79 1wfg n THR 60 Cb 0.49 -1.65 0.36 0.00 -2.10 0.00 0.00 70.33 67.43 1wfg n THR 60 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1wfg h GLU 61 N 0.00 0.00 -0.62 -0.78 4.11 -1.95 -2.73 114.58 112.61 1wfg h GLU 61 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.31 1wfg h GLU 61 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1wfg h GLU 61 CO 0.08 0.00 0.00 0.43 0.07 0.00 0.00 179.01 179.59 1wfg n SER 62 N -3.10 3.68 -1.14 3.06 7.64 -1.26 -4.89 113.62 117.61 1wfg n SER 62 Ca 0.03 -2.20 -0.14 0.00 1.01 0.00 0.00 58.87 57.57 1wfg n SER 62 Cb 0.45 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 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 1.21 1.17 3.93 0.23 0.00 -1.03 -4.99 105.19 105.72 1wfg n GLY 63 Ca 0.21 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.42 3.51 -0.08 1.61 1.81 -1.26 -4.78 118.95 116.33 1wfg s ARG 64 Ca 0.00 -0.38 0.02 0.00 -1.72 0.00 0.00 55.73 53.66 1wfg s ARG 64 Cb 0.00 -2.82 -0.02 0.00 -0.45 0.00 0.00 34.95 31.66 1wfg s ARG 64 CO 0.00 0.37 -0.14 -0.51 -0.68 0.00 0.00 175.30 174.34 1wfg s LEU 65 N -3.52 2.71 0.01 2.53 1.43 -1.25 -0.25 118.68 120.33 1wfg s LEU 65 Ca 0.38 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 1wfg s LEU 65 Cb -0.11 -1.57 0.07 0.00 0.03 0.00 0.00 46.19 44.61 1wfg s LEU 65 CO 0.30 0.27 0.65 0.00 0.23 0.00 0.00 176.35 177.80 1wfg s ALA 67 N -1.89 3.51 -0.02 0.00 0.00 -1.26 -3.66 121.76 118.43 1wfg s ALA 67 Ca -0.08 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.77 1wfg s ALA 67 Cb -0.00 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 1wfg s ALA 67 CO 0.04 0.09 -0.17 -0.06 0.00 0.00 0.00 175.76 175.65 1wfg s PHE 68 N 0.29 1.61 0.19 0.00 0.08 -0.79 -1.40 117.98 117.96 1wfg s PHE 68 Ca 0.26 -0.36 -0.31 0.00 0.12 0.00 0.00 56.93 56.64 1wfg s PHE 68 Cb -0.16 -1.05 -0.11 0.00 -0.57 0.00 0.00 43.02 41.13 1wfg s PHE 68 CO 0.12 -0.08 1.61 0.42 -0.10 0.00 0.00 175.22 177.19 1wfg s ILE 69 N -0.25 2.39 -0.20 0.64 1.01 -0.50 -2.70 121.20 121.59 1wfg s ILE 69 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1wfg s ILE 69 Cb -0.08 -3.18 -0.13 0.00 0.01 0.00 0.00 42.46 39.08 1wfg s ILE 69 CO 0.00 0.03 -0.19 0.35 0.00 0.00 0.00 174.94 175.13 1wfg n THR 70 N 3.75 1.16 -3.76 2.92 -2.24 -0.64 -1.65 114.28 113.83 1wfg n THR 70 Ca 0.14 -0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 1wfg n THR 70 Cb 0.37 -1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 67.28 1wfg n THR 70 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1wfg s LYS 71 N -2.40 1.03 -0.14 -0.78 1.02 -1.23 -4.70 119.74 112.54 1wfg s LYS 71 Ca -0.28 -0.86 -0.04 0.00 0.02 0.00 0.00 55.97 54.81 1wfg s LYS 71 Cb 0.07 0.42 0.06 0.00 -0.52 0.00 0.00 37.83 37.86 1wfg s LYS 71 CO 0.46 -0.38 0.12 0.08 -0.92 0.00 0.00 175.35 174.71 1wfg s VAL 72 N -3.85 -0.16 -0.20 3.17 1.01 -1.26 -1.07 120.40 118.04 1wfg s VAL 72 Ca 0.06 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.76 1wfg s VAL 72 Cb 0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 35.86 1wfg s VAL 72 CO -0.09 -0.11 2.12 1.17 0.00 0.00 0.00 175.10 178.18 1wfg n LYS 73 N 5.30 1.87 -2.01 2.72 3.00 -0.87 -4.84 118.16 123.32 1wfg n LYS 73 Ca -0.06 0.58 -0.40 0.00 -0.00 0.00 0.00 58.31 58.44 1wfg n LYS 73 Cb 0.49 -2.89 -0.03 0.00 0.00 0.00 0.00 35.03 32.61 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 5.64 2.82 0.00 1.64 2.20 -1.26 -2.63 119.74 128.15 1wfg s LYS 74 Ca 1.00 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 1wfg s LYS 74 Cb -0.56 -4.34 0.00 0.00 -1.51 0.00 0.00 37.83 31.42 1wfg s LYS 74 CO 0.43 -2.49 0.00 0.41 -0.36 0.00 0.00 175.35 173.34 1wfg n GLY 75 N 5.62 0.92 3.22 5.54 0.00 -1.26 -5.10 105.19 114.14 1wfg n GLY 75 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.62 0.38 0.00 1.61 0.01 -1.08 -4.95 113.70 108.05 1wfg s SER 76 Ca 0.00 -1.44 -0.00 0.00 1.31 0.00 0.00 55.95 55.82 1wfg s SER 76 Cb 0.00 0.41 -0.00 0.00 0.21 0.00 0.00 66.02 66.64 1wfg s SER 76 CO 0.00 -0.88 1.01 -0.07 0.41 0.00 0.00 173.24 173.71 1wfg h LEU 77 N 2.54 -0.03 -6.32 2.44 3.38 -1.89 0.32 115.31 115.75 1wfg h LEU 77 Ca -0.34 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.98 1wfg h LEU 77 Cb 1.25 0.01 0.03 0.00 0.09 0.00 0.00 40.66 42.04 1wfg h LEU 77 CO 0.50 -0.00 2.50 0.00 0.09 0.00 0.00 178.44 181.52 1wfg n ALA 78 N -2.97 3.86 0.00 1.53 0.00 -1.26 -1.39 120.51 120.28 1wfg n ALA 78 Ca 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.07 1wfg n ALA 78 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 15.87 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 7.01 0.00 0.11 0.00 -0.08 -0.70 -4.39 116.55 118.50 1wfg n ASP 79 Ca 0.50 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.55 1wfg n ASP 79 Cb 0.39 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.69 1wfg n ASP 79 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1wfg h THR 80 N 0.00 1.12 0.00 5.18 1.35 -0.17 -2.37 112.91 118.02 1wfg h THR 80 Ca 0.00 -2.63 -0.32 0.00 -0.55 0.00 0.00 66.41 62.91 1wfg h THR 80 Cb 0.00 2.90 -0.06 0.00 -1.73 0.00 0.00 68.15 69.26 1wfg h THR 80 CO 0.00 0.84 -2.22 1.33 -0.25 0.00 0.00 175.52 175.22 1wfg n VAL 81 N -3.64 1.22 0.04 6.82 0.24 -0.62 -4.59 118.33 117.80 1wfg n VAL 81 Ca -0.20 -0.53 -0.19 0.00 -2.04 0.00 0.00 64.34 61.38 1wfg n VAL 81 Cb 1.09 -1.11 -0.13 0.00 -1.47 0.00 0.00 33.84 32.21 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 2.02 0.40 -0.46 7.63 0.00 -1.43 -3.44 103.07 107.79 1wfg h GLY 82 Ca -0.48 -0.88 -0.20 0.00 0.00 0.00 0.00 47.33 45.77 1wfg h GLY 82 CO -0.05 0.77 -0.18 1.42 0.00 0.00 0.00 176.54 178.50 1wfg n HIS 83 N -4.14 0.00 -0.60 5.60 -0.00 -0.89 -4.75 115.22 110.43 1wfg n HIS 83 Ca -0.13 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.31 1wfg n HIS 83 Cb 0.78 -2.00 0.25 0.00 -0.00 0.00 0.00 29.99 29.03 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 -2.19 0.52 0.03 2.41 1.43 -1.26 -4.89 118.68 114.73 1wfg s LEU 84 Ca 0.00 1.32 -0.17 0.00 -1.03 0.00 0.00 54.13 54.25 1wfg s LEU 84 Cb 0.00 -3.16 0.03 0.00 0.03 0.00 0.00 46.19 43.10 1wfg s LEU 84 CO 0.00 -4.33 0.39 -0.13 0.23 0.00 0.00 176.35 172.51 1wfg s ARG 85 N -4.63 0.87 -0.34 1.70 0.52 -1.26 -4.74 118.95 111.07 1wfg s ARG 85 Ca 0.68 -0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 55.26 1wfg s ARG 85 Cb -0.22 0.39 0.00 0.00 0.52 0.00 0.00 34.95 35.64 1wfg s ARG 85 CO 0.63 -0.29 1.37 -1.25 0.02 0.00 0.00 175.30 175.78 1wfg s PRO 86 N -2.29 3.76 0.00 3.54 0.04 -1.26 -3.14 135.00 135.65 1wfg s PRO 86 Ca -0.07 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1wfg s PRO 86 Cb -0.01 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1wfg s PRO 86 CO -0.01 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.11 1wfg n GLY 87 N 4.67 0.61 3.95 0.56 0.00 -0.66 -4.93 105.19 109.39 1wfg n GLY 87 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.13 3.76 -0.18 1.61 1.01 -1.19 -4.84 116.67 116.71 1wfg s ASP 88 Ca 0.00 0.15 -0.00 0.00 0.71 0.00 0.00 52.55 53.40 1wfg s ASP 88 Cb 0.00 -0.39 0.05 0.00 1.01 0.00 0.00 42.92 43.59 1wfg s ASP 88 CO 0.00 -2.29 -0.05 -0.70 0.21 0.00 0.00 175.17 172.34 1wfg s GLU 89 N -5.58 1.45 -0.76 8.23 2.12 -1.26 -1.41 118.70 121.48 1wfg s GLU 89 Ca 0.69 -0.61 -0.26 0.00 0.36 0.00 0.00 54.97 55.15 1wfg s GLU 89 Cb -0.06 -2.14 0.04 0.00 0.26 0.00 0.00 34.13 32.23 1wfg s GLU 89 CO 0.49 -0.48 1.25 0.54 -0.54 0.00 0.00 175.26 176.53 1wfg s VAL 90 N 1.59 3.84 0.05 3.70 0.11 -0.49 -2.59 120.40 126.61 1wfg s VAL 90 Ca -0.01 0.16 -0.33 0.00 -2.93 0.00 0.00 61.98 58.87 1wfg s VAL 90 Cb -0.16 -4.90 -0.18 0.00 -1.53 0.00 0.00 36.38 29.61 1wfg s VAL 90 CO -0.07 -1.81 1.43 -0.07 -3.33 0.00 0.00 175.10 171.24 1wfg h LEU 91 N 12.74 -1.01 -9.90 2.54 -0.00 0.38 -3.39 115.31 116.67 1wfg h LEU 91 Ca -0.23 0.03 -0.60 0.00 -0.00 0.00 0.00 57.88 57.09 1wfg h LEU 91 Cb 1.05 0.26 -0.10 0.00 -0.00 0.00 0.00 40.66 41.87 1wfg h LEU 91 CO 1.28 -0.69 -0.50 -1.61 -0.00 0.00 0.00 178.44 176.91 1wfg s GLU 92 N -5.50 2.17 -0.35 1.13 8.01 -0.64 -0.15 118.70 123.35 1wfg s GLU 92 Ca -0.17 -1.99 0.03 0.00 0.01 0.00 0.00 54.97 52.85 1wfg s GLU 92 Cb 0.02 -1.86 0.16 0.00 -4.31 0.00 0.00 34.13 28.13 1wfg s GLU 92 CO 0.52 -0.18 0.41 -0.46 0.01 0.00 0.00 175.26 175.56 1wfg s TRP 93 N -2.67 -0.63 -0.57 1.61 -0.11 0.14 -2.57 118.94 114.15 1wfg s TRP 93 Ca 0.35 -0.41 0.00 0.00 1.22 0.00 0.00 56.10 57.25 1wfg s TRP 93 Cb 0.04 -0.27 0.00 0.00 -1.50 0.00 0.00 33.47 31.74 1wfg s TRP 93 CO 0.19 -1.00 0.00 -1.71 -4.62 0.00 0.00 176.95 169.81 1wfg n ASN 94 N 4.57 -3.79 0.00 5.86 2.85 0.55 -2.26 115.26 123.04 1wfg n ASN 94 Ca 0.08 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.68 1wfg n ASN 94 Cb 0.48 -1.76 0.00 0.00 1.24 0.00 0.00 39.78 39.73 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 -2.14 0.49 3.64 8.20 0.00 -1.25 -4.85 105.19 109.28 1wfg n GLY 95 Ca -0.05 0.00 -0.41 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 -0.71 4.16 -0.03 1.61 1.81 -0.96 -5.02 118.95 119.82 1wfg s ARG 96 Ca 0.00 0.69 -0.30 0.00 -1.72 0.00 0.00 55.73 54.40 1wfg s ARG 96 Cb 0.00 -3.63 -0.04 0.00 -0.45 0.00 0.00 34.95 30.83 1wfg s ARG 96 CO 0.00 -0.39 1.22 -1.17 -0.68 0.00 0.00 175.30 174.27 1wfg s LEU 97 N 2.43 4.30 0.08 2.53 2.96 -1.26 0.29 118.68 130.00 1wfg s LEU 97 Ca 0.30 1.88 0.23 0.00 -0.22 0.00 0.00 54.13 56.31 1wfg s LEU 97 Cb -0.16 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1wfg s LEU 97 CO 0.09 -0.57 0.91 0.18 -1.32 0.00 0.00 176.35 175.64 1wfg n LEU 98 N 4.98 0.55 -4.66 -0.68 4.77 0.79 -4.65 117.00 118.11 1wfg n LEU 98 Ca 0.11 0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.75 1wfg n LEU 98 Cb 0.46 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1wfg n LEU 98 CO 0.56 -0.03 1.60 -1.10 -1.33 0.00 0.00 177.39 177.08 1wfg s GLN 99 N -3.32 4.08 0.00 3.23 -0.21 -1.24 -1.05 119.66 121.16 1wfg s GLN 99 Ca -0.00 2.54 0.00 0.00 0.02 0.00 0.00 55.36 57.92 1wfg s GLN 99 Cb 0.13 -4.16 0.00 0.00 1.00 0.00 0.00 33.01 29.97 1wfg s GLN 99 CO 0.82 -1.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.38 1wfg n GLY 100 N 4.59 2.82 3.73 3.09 0.00 0.47 -4.98 105.19 114.91 1wfg n GLY 100 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.11 1.67 -1.91 4.61 0.00 -0.21 -4.70 120.51 119.87 1wfg n ALA 101 Ca 0.00 0.23 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 1wfg n ALA 101 Cb 0.00 -2.34 0.10 0.00 0.00 0.00 0.00 19.45 17.21 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 -1.21 2.05 0.27 0.00 -4.23 -1.26 -3.39 115.64 107.87 1wfg s THR 102 Ca 0.63 -0.06 -0.01 0.00 -1.18 0.00 0.00 61.69 61.07 1wfg s THR 102 Cb -0.46 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 70.66 1wfg s THR 102 CO 0.56 0.00 1.68 0.15 -0.54 0.00 0.00 174.62 176.47 1wfg h PHE 103 N -1.04 0.39 0.61 3.99 3.57 -1.82 0.08 116.94 122.72 1wfg h PHE 103 Ca -0.45 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.06 1wfg h PHE 103 Cb 1.31 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 40.02 1wfg h PHE 103 CO 0.12 -0.11 -0.29 0.93 -2.23 0.00 0.00 178.31 176.73 1wfg h GLU 104 N 0.29 -0.79 -0.99 1.11 5.08 -1.92 -2.21 114.58 115.14 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 0.91 0.18 -0.14 0.00 0.50 0.00 0.00 28.75 30.20 1wfg h GLU 104 CO -0.56 -0.51 -0.48 0.39 -1.00 0.00 0.00 179.01 176.85 1wfg n GLU 105 N -5.33 -0.33 -0.10 2.33 1.02 -0.77 0.17 120.64 117.64 1wfg n GLU 105 Ca -0.11 1.52 -0.06 0.00 -0.02 0.00 0.00 57.16 58.49 1wfg n GLU 105 Cb 0.33 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 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 0.61 0.39 2.62 2.07 -1.06 -1.48 116.25 119.40 1wfg h VAL 106 Ca 0.26 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.77 1wfg h VAL 106 Cb 0.51 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1wfg h VAL 106 CO -0.96 0.00 -0.21 0.22 0.02 0.00 0.00 177.57 176.63 1wfg h TYR 107 N -0.03 -0.56 -0.93 1.57 5.03 0.92 -2.69 116.97 120.29 1wfg h TYR 107 Ca 0.17 -0.01 0.18 0.00 2.58 0.00 0.00 58.73 61.65 1wfg h TYR 107 Cb 0.29 0.19 -0.17 0.00 1.55 0.00 0.00 36.73 38.59 1wfg h TYR 107 CO -0.34 -0.34 -0.26 -0.91 -1.32 0.00 0.00 178.16 175.00 1wfg h ASN 108 N -0.56 -0.96 0.00 -2.11 2.35 0.23 -0.10 115.58 114.43 1wfg h ASN 108 Ca -0.05 0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1wfg h ASN 108 Cb 0.45 0.61 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1wfg h ASN 108 CO 0.06 -0.31 0.00 -0.38 -1.65 0.00 0.00 177.43 175.16 1wfg n ILE 109 N -5.57 0.00 -0.64 2.81 5.41 -0.61 0.36 119.36 121.12 1wfg n ILE 109 Ca 0.14 1.47 0.50 0.00 1.00 0.00 0.00 62.75 65.85 1wfg n ILE 109 Cb 0.46 -2.17 0.79 0.00 -0.71 0.00 0.00 39.64 38.00 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 0.02 0.37 1.39 2.04 -0.96 0.60 117.51 120.97 1wfg h ILE 110 Ca 0.00 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1wfg h ILE 110 Cb 0.00 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1wfg h ILE 110 CO 0.00 0.00 -0.18 -0.07 0.00 0.00 0.00 178.15 177.90 1wfg h LEU 111 N 0.00 -0.42 -1.69 1.44 3.38 0.14 -3.04 115.31 115.13 1wfg h LEU 111 Ca 0.91 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.95 1wfg h LEU 111 Cb 3.50 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 44.35 1wfg h LEU 111 CO -0.12 -0.10 0.50 -0.33 0.09 0.00 0.00 178.44 178.48 1wfg h GLU 112 N -0.89 0.00 -0.84 1.13 5.08 0.49 1.43 114.58 120.98 1wfg h GLU 112 Ca -0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1wfg h GLU 112 Cb 0.38 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.53 1wfg h GLU 112 CO 0.08 0.00 0.21 -1.13 -1.00 0.00 0.00 179.01 177.17 1wfg n SER 113 N -3.08 3.96 -0.04 1.42 3.41 0.52 -4.24 113.62 115.57 1wfg n SER 113 Ca 0.02 -2.86 -0.14 0.00 -0.26 0.00 0.00 58.87 55.63 1wfg n SER 113 Cb 0.59 -0.68 -0.11 0.00 -0.26 0.00 0.00 64.21 63.75 1wfg n SER 113 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1wfg h LYS 114 N 1.84 0.02 -0.01 4.33 1.79 0.20 -3.30 116.57 121.44 1wfg h LYS 114 Ca 0.20 -0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 58.48 1wfg h LYS 114 Cb 1.89 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.53 1wfg h LYS 114 CO 0.54 0.73 -0.80 -1.00 -1.08 0.00 0.00 179.45 177.85 1wfg h PRO 115 N -0.69 0.16 -5.36 3.15 0.13 -1.78 -3.46 132.00 124.14 1wfg h PRO 115 Ca -0.00 -0.15 -0.64 0.00 -0.87 0.00 0.00 66.00 64.34 1wfg h PRO 115 Cb 0.74 0.04 0.08 0.00 0.13 0.00 0.00 31.00 31.99 1wfg h PRO 115 CO 0.00 0.87 -0.28 0.39 -0.23 0.00 0.00 178.00 178.76 1wfg n GLU 116 N -3.69 0.00 0.08 0.86 1.02 -1.24 -4.84 120.64 112.82 1wfg n GLU 116 Ca -0.03 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.03 1wfg n GLU 116 Cb 0.75 -1.06 0.02 0.00 -0.02 0.00 0.00 31.44 31.13 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 1.56 0.22 -4.97 3.49 0.13 -1.90 -3.47 132.00 127.06 1wfg h PRO 117 Ca -0.33 -0.22 -0.42 0.00 -0.87 0.00 0.00 66.00 64.16 1wfg h PRO 117 Cb 1.28 0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.33 1wfg h PRO 117 CO 0.54 0.92 -0.58 1.14 -0.23 0.00 0.00 178.00 179.78 1wfg s GLN 118 N -3.35 1.58 -0.18 0.86 -2.07 -1.26 -1.06 119.66 114.18 1wfg s GLN 118 Ca -0.03 -1.89 -0.04 0.00 -1.82 0.00 0.00 55.36 51.57 1wfg s GLN 118 Cb 0.10 -0.39 0.09 0.00 -1.09 0.00 0.00 33.01 31.73 1wfg s GLN 118 CO 0.82 -0.34 0.26 0.08 -1.32 0.00 0.00 175.29 174.79 1wfg s VAL 119 N -3.55 -0.40 -0.43 3.63 1.01 0.26 -4.94 120.40 115.98 1wfg s VAL 119 Ca 0.35 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.20 1wfg s VAL 119 Cb 0.06 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.86 1wfg s VAL 119 CO 0.15 -0.08 0.34 -0.70 0.00 0.00 0.00 175.10 174.81 1wfg s GLU 120 N 2.39 2.98 0.45 2.72 2.12 -1.26 -0.37 118.70 127.73 1wfg s GLU 120 Ca 0.06 -1.09 -0.01 0.00 0.36 0.00 0.00 54.97 54.28 1wfg s GLU 120 Cb -0.14 -4.03 -0.02 0.00 0.26 0.00 0.00 34.13 30.20 1wfg s GLU 120 CO -0.11 -0.85 0.69 -0.51 -0.54 0.00 0.00 175.26 173.94 1wfg s LEU 121 N 1.72 3.69 -0.22 2.70 1.43 0.40 0.20 118.68 128.60 1wfg s LEU 121 Ca 0.05 0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.62 1wfg s LEU 121 Cb -0.20 -3.39 0.11 0.00 0.03 0.00 0.00 46.19 42.74 1wfg s LEU 121 CO 0.09 -0.61 0.31 -0.69 0.23 0.00 0.00 176.35 175.68 1wfg s VAL 122 N -2.58 -0.48 0.22 -1.59 1.01 -1.06 -1.56 120.40 114.37 1wfg s VAL 122 Ca 0.47 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.46 1wfg s VAL 122 Cb -0.10 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1wfg s VAL 122 CO 0.40 -0.14 0.07 0.54 0.00 0.00 0.00 175.10 175.97 1wfg s VAL 123 N 2.45 3.95 -0.20 2.92 0.11 0.40 0.28 120.40 130.31 1wfg s VAL 123 Ca 0.09 -1.52 -0.05 0.00 -2.93 0.00 0.00 61.98 57.57 1wfg s VAL 123 Cb -0.15 -3.07 0.07 0.00 -1.53 0.00 0.00 36.38 31.70 1wfg s VAL 123 CO -0.14 -0.26 0.11 -0.55 -3.33 0.00 0.00 175.10 170.93 1wfg s SER 124 N -3.45 2.49 0.26 3.54 0.15 -1.07 -0.15 113.70 115.47 1wfg s SER 124 Ca 0.31 -0.71 0.09 0.00 0.70 0.00 0.00 55.95 56.33 1wfg s SER 124 Cb -0.08 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 63.98 1wfg s SER 124 CO 0.21 -0.37 0.05 0.00 1.20 0.00 0.00 173.24 174.34 1wfg s ARG 125 N 2.15 2.47 -0.04 5.44 3.03 0.30 -4.71 118.95 127.59 1wfg s ARG 125 Ca 0.04 -1.30 -0.15 0.00 2.03 0.00 0.00 55.73 56.35 1wfg s ARG 125 Cb -0.16 -2.28 -0.05 0.00 -1.03 0.00 0.00 34.95 31.43 1wfg s ARG 125 CO -0.15 0.38 0.40 0.45 -1.13 0.00 0.00 175.30 175.25 1wfg s SER 126 N -3.67 6.73 0.09 -2.89 0.15 -1.26 0.19 113.70 113.04 1wfg s SER 126 Ca 0.32 0.87 0.01 0.00 0.70 0.00 0.00 55.95 57.85 1wfg s SER 126 Cb -0.07 -2.24 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 1wfg s SER 126 CO 0.21 0.25 0.12 0.61 1.20 0.00 0.00 173.24 175.63 1wfg n GLY 127 N 2.24 2.05 3.73 9.45 0.00 0.44 -4.83 105.19 118.26 1wfg n GLY 127 Ca -0.13 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 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 -2.41 4.52 -0.45 1.61 0.04 -1.26 -4.85 135.00 132.20 1wfg s PRO 128 Ca 0.09 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.89 1wfg s PRO 128 Cb -0.01 -3.31 0.19 0.00 0.04 0.00 0.00 34.50 31.42 1wfg s PRO 128 CO 0.06 -0.08 0.83 0.45 0.04 0.00 0.00 177.00 178.30 1wfg s SER 129 N 0.45 -1.09 -0.12 6.66 0.15 -1.26 -4.78 113.70 113.71 1wfg s SER 129 Ca 0.54 -1.17 -0.10 0.00 0.70 0.00 0.00 55.95 55.92 1wfg s SER 129 Cb -0.29 1.43 -0.08 0.00 -1.71 0.00 0.00 66.02 65.36 1wfg s SER 129 CO 0.32 -0.05 0.22 0.28 1.20 0.00 0.00 173.24 175.21 1wfg h SER 130 N 5.06 0.00 0.00 5.45 0.02 -2.03 -3.53 113.55 118.52 1wfg h SER 130 Ca 0.04 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1wfg h SER 130 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1wfg h SER 130 CO -0.02 0.70 0.00 0.61 -1.14 0.00 0.00 176.83 176.98