#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 6.38 0.24 1.61 1.04 -1.26 -5.00 113.70 116.71 1wfg s SER 2 Ca 0.00 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1wfg s SER 2 Cb 0.00 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.15 1wfg s SER 2 CO 0.00 0.07 0.00 -1.20 0.98 0.00 0.00 173.24 173.09 1wfg n SER 3 N -0.21 0.04 -1.45 7.02 7.64 -1.26 -5.16 113.62 120.23 1wfg n SER 3 Ca -0.05 0.41 0.08 0.00 1.01 0.00 0.00 58.87 60.32 1wfg n SER 3 Cb 0.53 0.27 -0.05 0.00 -1.01 0.00 0.00 64.21 63.95 1wfg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfg n GLY 4 N 1.84 -3.71 0.66 0.23 0.00 -1.26 -4.94 105.19 98.01 1wfg n GLY 4 Ca 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.40 1.19 0.05 1.61 2.88 -1.26 -4.78 113.62 109.91 1wfg n SER 5 Ca -0.05 0.18 -0.15 0.00 -1.33 0.00 0.00 58.87 57.53 1wfg n SER 5 Cb 0.56 -0.45 -0.08 0.00 -0.75 0.00 0.00 64.21 63.49 1wfg n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wfg h SER 6 N -0.33 -1.50 -4.52 -3.46 0.02 -2.09 -3.48 113.55 98.20 1wfg h SER 6 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1wfg h SER 6 Cb 0.33 0.58 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1wfg h SER 6 CO 0.00 -0.49 -0.55 0.61 -1.14 0.00 0.00 176.83 175.25 1wfg n GLY 7 N -1.46 -2.76 3.68 -3.77 0.00 -1.26 -4.92 105.19 94.70 1wfg n GLY 7 Ca -0.06 0.49 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 1wfg n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wfg s HIS 8 N -1.54 2.92 -0.00 1.61 0.09 -1.26 -4.89 115.29 112.22 1wfg s HIS 8 Ca 0.07 0.97 -0.02 0.00 -0.00 0.00 0.00 55.06 56.08 1wfg s HIS 8 Cb -0.02 -3.55 -0.01 0.00 -0.00 0.00 0.00 32.58 29.00 1wfg s HIS 8 CO 0.54 -1.94 -0.04 -1.13 -0.00 0.00 0.00 174.74 172.18 1wfg n SER 9 N 5.69 0.39 0.00 1.40 3.41 -1.26 -5.09 113.62 118.16 1wfg n SER 9 Ca 0.13 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1wfg n SER 9 Cb 0.45 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.87 -0.75 -2.67 7.33 -0.00 -1.26 -5.09 115.22 109.91 1wfg n HIS 10 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.67 1wfg n HIS 10 Cb 0.05 0.33 0.05 0.00 -0.00 0.00 0.00 29.99 30.42 1wfg n HIS 10 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1wfg n SER 11 N -1.99 -1.50 -3.63 0.26 3.41 -1.26 -5.07 113.62 103.84 1wfg n SER 11 Ca 0.00 -1.28 -0.31 0.00 -0.26 0.00 0.00 58.87 57.02 1wfg n SER 11 Cb 0.00 0.78 -0.06 0.00 -0.26 0.00 0.00 64.21 64.67 1wfg n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wfg n ASP 12 N 2.28 4.37 -4.27 4.04 8.00 -1.26 -5.00 116.55 124.71 1wfg n ASP 12 Ca 0.09 -3.41 -0.43 0.00 0.71 0.00 0.00 54.79 51.75 1wfg n ASP 12 Cb 0.66 -0.84 -0.07 0.00 -0.02 0.00 0.00 41.12 40.85 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 -2.42 2.73 -0.40 -1.24 -2.85 -1.26 -5.02 119.74 109.27 1wfg s LYS 13 Ca 0.36 -1.68 -0.41 0.00 -1.00 0.00 0.00 55.97 53.25 1wfg s LYS 13 Cb 0.10 -4.07 -0.16 0.00 -2.06 0.00 0.00 37.83 31.64 1wfg s LYS 13 CO -0.00 -1.21 1.98 -2.39 0.10 0.00 0.00 175.35 173.83 1wfg n HIS 14 N 5.06 1.60 0.20 1.78 1.44 -1.26 -4.78 115.22 119.26 1wfg n HIS 14 Ca -0.11 0.61 0.08 0.00 -2.01 0.00 0.00 57.72 56.30 1wfg n HIS 14 Cb 0.41 -2.40 0.30 0.00 0.12 0.00 0.00 29.99 28.42 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 9.02 0.00 -6.32 -1.40 0.13 -1.93 -3.44 132.00 128.06 1wfg h PRO 15 Ca -0.29 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.16 1wfg h PRO 15 Cb 1.36 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.29 1wfg h PRO 15 CO 1.02 0.27 -0.74 0.14 -0.23 0.00 0.00 178.00 178.47 1wfg s VAL 16 N -3.39 3.32 -0.19 1.56 -7.23 -1.26 -1.16 120.40 112.05 1wfg s VAL 16 Ca 0.02 -0.78 -0.07 0.00 -1.81 0.00 0.00 61.98 59.35 1wfg s VAL 16 Cb 0.09 -2.38 0.08 0.00 0.56 0.00 0.00 36.38 34.73 1wfg s VAL 16 CO 0.67 0.48 0.40 0.42 -0.31 0.00 0.00 175.10 176.77 1wfg s THR 17 N -0.87 -0.54 -0.33 5.32 -4.23 0.14 -4.97 115.64 110.16 1wfg s THR 17 Ca 0.14 0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 60.77 1wfg s THR 17 Cb -0.11 -0.64 0.05 0.00 1.34 0.00 0.00 72.50 73.14 1wfg s THR 17 CO 0.04 0.07 0.08 0.26 -0.54 0.00 0.00 174.62 174.53 1wfg s TRP 18 N 2.43 3.27 0.05 3.99 0.52 -1.26 0.28 118.94 128.23 1wfg s TRP 18 Ca -0.02 -1.59 0.03 0.00 0.02 0.00 0.00 56.10 54.53 1wfg s TRP 18 Cb -0.12 -2.26 -0.03 0.00 -1.15 0.00 0.00 33.47 29.91 1wfg s TRP 18 CO -0.12 -0.76 -0.09 -0.65 0.02 0.00 0.00 176.95 175.35 1wfg s GLN 19 N 1.35 0.61 0.78 4.98 1.11 0.97 -4.99 119.66 124.47 1wfg s GLN 19 Ca -0.02 -0.85 -0.11 0.00 0.01 0.00 0.00 55.36 54.38 1wfg s GLN 19 Cb -0.20 -0.39 0.06 0.00 -1.01 0.00 0.00 33.01 31.47 1wfg s GLN 19 CO 0.01 0.07 1.09 -1.25 0.01 0.00 0.00 175.29 175.22 1wfg s PRO 20 N -1.82 2.27 0.72 2.91 0.04 -1.26 0.12 135.00 137.98 1wfg s PRO 20 Ca -0.06 0.71 -0.12 0.00 0.04 0.00 0.00 61.00 61.56 1wfg s PRO 20 Cb -0.09 -1.93 0.18 0.00 0.04 0.00 0.00 34.50 32.70 1wfg s PRO 20 CO 0.00 -1.51 0.51 -1.13 0.04 0.00 0.00 177.00 174.92 1wfg n SER 21 N -3.37 -2.43 -0.00 6.66 3.41 0.27 -4.64 113.62 113.53 1wfg n SER 21 Ca 0.07 -0.64 -0.09 0.00 -0.26 0.00 0.00 58.87 57.95 1wfg n SER 21 Cb 0.56 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1wfg n SER 21 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1wfg h LYS 22 N 0.00 -0.25 0.00 4.33 1.63 -1.97 -3.33 116.57 116.98 1wfg h LYS 22 Ca -0.21 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1wfg h LYS 22 Cb 0.68 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1wfg h LYS 22 CO 0.13 -0.17 0.00 -0.25 -3.45 0.00 0.00 179.45 175.71 1wfg n ASP 23 N -5.35 0.00 0.00 4.20 8.00 -1.26 -5.02 116.55 117.12 1wfg n ASP 23 Ca -0.03 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1wfg n ASP 23 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1wfg n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfg n GLY 24 N 1.79 0.00 0.18 0.44 0.00 -1.25 -5.06 105.19 101.29 1wfg n GLY 24 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 2.93 -4.68 1.61 9.92 -1.26 -4.57 116.55 120.50 1wfg n ASP 25 Ca 0.00 -0.01 -0.34 0.00 -0.53 0.00 0.00 54.79 53.91 1wfg n ASP 25 Cb 0.00 -0.12 -0.09 0.00 -0.64 0.00 0.00 41.12 40.27 1wfg n ASP 25 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1wfg s ARG 26 N -2.13 2.87 -0.43 -1.24 1.81 -1.26 0.19 118.95 118.77 1wfg s ARG 26 Ca -0.09 -0.52 -0.13 0.00 -1.72 0.00 0.00 55.73 53.27 1wfg s ARG 26 Cb 0.02 -2.72 0.05 0.00 -0.45 0.00 0.00 34.95 31.86 1wfg s ARG 26 CO 0.14 0.66 0.30 -1.17 -0.68 0.00 0.00 175.30 174.56 1wfg s LEU 27 N -1.23 5.21 -0.19 2.53 1.98 0.50 0.98 118.68 128.47 1wfg s LEU 27 Ca 0.17 -1.19 -0.24 0.00 -2.89 0.00 0.00 54.13 49.97 1wfg s LEU 27 Cb -0.11 -2.10 -0.01 0.00 0.66 0.00 0.00 46.19 44.62 1wfg s LEU 27 CO 0.06 -0.52 0.80 -0.63 -1.89 0.00 0.00 176.35 174.17 1wfg s ILE 28 N 1.59 4.90 -0.21 6.68 -1.09 0.33 0.21 121.20 133.61 1wfg s ILE 28 Ca 0.04 1.54 -0.00 0.00 -2.23 0.00 0.00 60.65 60.00 1wfg s ILE 28 Cb -0.22 -4.10 0.02 0.00 -1.58 0.00 0.00 42.46 36.58 1wfg s ILE 28 CO 0.07 0.02 -0.14 -0.83 -1.23 0.00 0.00 174.94 172.83 1wfg s GLY 29 N 1.20 1.49 -0.35 6.18 0.00 0.54 -0.02 107.32 116.37 1wfg s GLY 29 Ca 0.36 -1.30 -0.05 0.00 0.00 0.00 0.00 44.72 43.74 1wfg s GLY 29 CO 0.11 0.38 0.11 0.50 0.00 0.00 0.00 173.10 174.19 1wfg s ARG 30 N 1.32 2.45 0.18 2.90 0.52 0.14 0.12 118.95 126.58 1wfg s ARG 30 Ca 0.03 -1.35 0.04 0.00 -0.52 0.00 0.00 55.73 53.94 1wfg s ARG 30 Cb -0.14 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 1wfg s ARG 30 CO -0.09 -0.75 0.23 0.42 0.02 0.00 0.00 175.30 175.12 1wfg s ILE 31 N 1.31 4.88 -0.01 1.52 1.09 -0.61 0.27 121.20 129.65 1wfg s ILE 31 Ca -0.01 -0.97 -0.02 0.00 -1.10 0.00 0.00 60.65 58.55 1wfg s ILE 31 Cb -0.21 -3.54 -0.00 0.00 -1.06 0.00 0.00 42.46 37.65 1wfg s ILE 31 CO 0.00 -0.17 0.05 -0.22 -0.10 0.00 0.00 174.94 174.50 1wfg s LEU 32 N -3.37 1.87 0.02 2.97 1.98 -0.31 0.15 118.68 121.99 1wfg s LEU 32 Ca 0.33 -0.07 0.03 0.00 -2.89 0.00 0.00 54.13 51.52 1wfg s LEU 32 Cb -0.10 0.23 -0.02 0.00 0.66 0.00 0.00 46.19 46.96 1wfg s LEU 32 CO 0.26 -0.13 -0.08 -0.76 -1.89 0.00 0.00 176.35 173.75 1wfg s LEU 33 N -0.50 2.14 -0.04 -0.68 1.43 -0.34 -4.68 118.68 116.03 1wfg s LEU 33 Ca -0.06 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1wfg s LEU 33 Cb -0.04 -0.31 0.01 0.00 0.03 0.00 0.00 46.19 45.88 1wfg s LEU 33 CO -0.00 -0.05 -0.07 0.21 0.23 0.00 0.00 176.35 176.68 1wfg s ASN 34 N -0.94 1.05 -0.00 2.29 2.47 -1.26 0.17 114.94 118.73 1wfg s ASN 34 Ca -0.03 -0.16 0.04 0.00 0.42 0.00 0.00 52.86 53.14 1wfg s ASN 34 Cb -0.07 -0.41 -0.05 0.00 -1.45 0.00 0.00 41.25 39.27 1wfg s ASN 34 CO 0.00 0.00 0.18 2.29 -3.72 0.00 0.00 177.10 175.86 1wfg n LYS 35 N 3.70 5.28 -1.49 0.43 2.85 -0.73 -5.02 118.16 123.18 1wfg n LYS 35 Ca -0.22 -0.00 -0.56 0.00 -1.05 0.00 0.00 58.31 56.48 1wfg n LYS 35 Cb 0.52 -0.73 -0.07 0.00 -0.65 0.00 0.00 35.03 34.11 1wfg n LYS 35 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wfg n ARG 36 N -1.13 0.15 -0.36 -1.58 1.74 -1.21 -4.39 116.66 109.87 1wfg n ARG 36 Ca 0.01 0.05 -0.07 0.00 -0.77 0.00 0.00 57.85 57.07 1wfg n ARG 36 Cb 0.07 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.69 0.00 0.11 0.55 4.77 -1.26 -4.73 117.00 118.12 1wfg n LEU 37 Ca 0.19 -0.30 0.10 0.00 -0.03 0.00 0.00 56.01 55.97 1wfg n LEU 37 Cb 0.13 -0.23 0.58 0.00 -2.33 0.00 0.00 43.42 41.57 1wfg n LEU 37 CO 0.60 -0.88 1.13 0.11 -1.33 0.00 0.00 177.39 177.02 1wfg h LYS 38 N 0.00 0.17 0.04 3.23 6.56 -2.02 0.15 116.57 124.71 1wfg h LYS 38 Ca -0.09 -0.01 -0.25 0.00 -1.06 0.00 0.00 60.65 59.23 1wfg h LYS 38 Cb 0.27 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.86 1wfg h LYS 38 CO 0.07 0.11 -1.29 -0.44 -2.06 0.00 0.00 179.45 175.84 1wfg h ASP 39 N 0.18 0.13 -1.07 0.86 5.19 -2.00 -3.48 116.42 116.22 1wfg h ASP 39 Ca 0.12 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1wfg h ASP 39 Cb 0.25 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1wfg h ASP 39 CO -0.02 1.14 0.00 0.61 -3.12 0.00 0.00 179.24 177.85 1wfg n GLY 40 N 1.48 0.55 0.00 2.75 0.00 0.04 -5.00 105.19 105.01 1wfg n GLY 40 Ca -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.35 0.86 -1.87 1.61 7.64 -1.26 -4.81 113.62 115.44 1wfg n SER 41 Ca 0.00 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.58 1wfg n SER 41 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.15 -5.84 -1.56 0.44 0.31 -1.26 -4.89 118.33 105.38 1wfg n VAL 42 Ca 0.00 2.69 -0.30 0.00 -0.01 0.00 0.00 64.34 66.72 1wfg n VAL 42 Cb 0.24 -3.54 0.09 0.00 -0.91 0.00 0.00 33.84 29.71 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 -2.47 2.19 0.24 5.55 0.04 -1.26 -4.85 135.00 134.45 1wfg s PRO 43 Ca 0.00 0.67 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 1wfg s PRO 43 Cb 0.00 -1.93 0.34 0.00 0.04 0.00 0.00 34.50 32.95 1wfg s PRO 43 CO 0.00 -1.55 1.44 0.54 0.04 0.00 0.00 177.00 177.47 1wfg n ARG 44 N -3.39 -0.14 -3.31 4.56 3.00 -1.26 -4.11 116.66 112.01 1wfg n ARG 44 Ca 0.07 1.43 -0.07 0.00 -0.01 0.00 0.00 57.85 59.28 1wfg n ARG 44 Cb 0.56 -2.13 -0.06 0.00 0.00 0.00 0.00 32.46 30.82 1wfg n ARG 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1wfg s ASP 45 N -5.28 -0.01 0.00 0.55 1.47 -1.26 -5.02 116.67 107.12 1wfg s ASP 45 Ca -0.13 0.19 0.00 0.00 1.18 0.00 0.00 52.55 53.78 1wfg s ASP 45 Cb 0.22 1.29 0.00 0.00 -0.34 0.00 0.00 42.92 44.09 1wfg s ASP 45 CO 0.69 -0.31 0.00 -1.54 0.68 0.00 0.00 175.17 174.70 1wfg n SER 46 N 5.37 0.00 -3.36 2.11 3.41 -1.26 -4.96 113.62 114.94 1wfg n SER 46 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.33 1wfg n SER 46 Cb 0.50 -0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 63.99 1wfg n SER 46 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wfg s GLY 47 N -2.84 1.05 0.07 5.00 0.00 -1.26 -4.96 107.32 104.37 1wfg s GLY 47 Ca 0.00 -2.33 -0.37 0.00 0.00 0.00 0.00 44.72 42.02 1wfg s GLY 47 CO 0.00 2.21 1.56 0.00 0.00 0.00 0.00 173.10 176.88 1wfg h ALA 48 N 5.61 -1.32 -0.17 3.20 0.00 -1.93 -2.81 119.26 121.84 1wfg h ALA 48 Ca 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wfg h ALA 48 Cb 0.92 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1wfg h ALA 48 CO 0.35 -1.25 0.00 -1.33 0.00 0.00 0.00 179.25 177.02 1wfg n MET 49 N -5.62 1.84 -0.91 0.00 2.81 -1.26 -4.77 117.12 109.20 1wfg n MET 49 Ca -0.16 -1.25 0.00 0.00 -1.81 0.00 0.00 57.70 54.48 1wfg n MET 49 Cb 0.52 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 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 0.48 0.56 0.00 4.03 7.99 -1.06 -1.63 117.00 127.37 1wfg n LEU 50 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 1wfg n LEU 50 Cb 0.37 -1.37 0.00 0.00 -0.11 0.00 0.00 43.42 42.31 1wfg n LEU 50 CO 0.14 -0.47 0.00 0.61 -1.51 0.00 0.00 177.39 176.16 1wfg n GLY 51 N -1.15 2.08 3.91 -0.72 0.00 -1.26 -2.25 105.19 105.80 1wfg n GLY 51 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 3.87 0.02 0.99 0.05 -0.65 -2.16 118.68 120.81 1wfg s LEU 52 Ca 0.00 -0.26 0.09 0.00 0.05 0.00 0.00 54.13 54.00 1wfg s LEU 52 Cb 0.00 -2.51 -0.03 0.00 -2.05 0.00 0.00 46.19 41.60 1wfg s LEU 52 CO 0.00 -0.28 -0.26 -0.75 -0.55 0.00 0.00 176.35 174.52 1wfg s LYS 53 N -4.02 1.86 -0.02 1.48 2.20 0.24 -4.74 119.74 116.74 1wfg s LYS 53 Ca 0.40 -1.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 1wfg s LYS 53 Cb -0.08 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.29 1wfg s LYS 53 CO 0.28 0.52 -0.10 0.08 -0.36 0.00 0.00 175.35 175.77 1wfg s VAL 54 N -0.73 0.86 -0.27 4.02 1.01 -1.26 -1.10 120.40 122.91 1wfg s VAL 54 Ca 0.11 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1wfg s VAL 54 Cb -0.10 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1wfg s VAL 54 CO 0.01 0.26 -0.03 -0.69 0.00 0.00 0.00 175.10 174.65 1wfg s VAL 55 N 0.09 2.97 0.00 2.92 1.01 -0.26 -4.92 120.40 122.21 1wfg s VAL 55 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1wfg s VAL 55 Cb -0.08 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1wfg s VAL 55 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1wfg n GLY 56 N 4.66 1.57 2.16 4.51 0.00 -1.26 -1.63 105.19 115.20 1wfg n GLY 56 Ca -0.15 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 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 5.00 1.21 3.66 -0.02 0.00 -1.20 -4.14 105.19 109.71 1wfg n GLY 57 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.01 4.22 -0.22 1.61 2.20 -0.78 -4.73 119.74 119.03 1wfg s LYS 58 Ca 0.00 1.93 -0.29 0.00 -0.36 0.00 0.00 55.97 57.25 1wfg s LYS 58 Cb 0.00 -3.83 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 1wfg s LYS 58 CO 0.00 -0.74 1.52 -1.64 -0.36 0.00 0.00 175.35 174.13 1wfg s MET 59 N 3.56 3.90 0.09 4.03 -1.94 -1.26 -2.08 119.30 125.60 1wfg s MET 59 Ca 0.64 1.62 -0.01 0.00 -1.71 0.00 0.00 55.69 56.23 1wfg s MET 59 Cb -0.28 -3.97 0.02 0.00 2.01 0.00 0.00 34.83 32.61 1wfg s MET 59 CO 0.23 -1.16 0.12 0.25 -0.01 0.00 0.00 175.02 174.45 1wfg n THR 60 N 6.19 0.00 1.25 2.05 -2.24 0.10 -4.95 114.28 116.67 1wfg n THR 60 Ca 0.17 -0.13 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1wfg n THR 60 Cb 0.45 -1.69 0.50 0.00 -2.10 0.00 0.00 70.33 67.49 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 -1.25 0.51 -0.39 -0.78 0.28 -1.26 -3.25 120.64 114.49 1wfg n GLU 61 Ca 0.02 -0.21 0.08 0.00 -0.16 0.00 0.00 57.16 56.88 1wfg n GLU 61 Cb 0.06 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 31.68 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 -1.06 3.76 -1.05 -1.84 2.88 -1.26 -4.92 113.62 110.13 1wfg n SER 62 Ca 0.11 -2.52 -0.13 0.00 -1.33 0.00 0.00 58.87 55.00 1wfg n SER 62 Cb 0.31 -0.44 -0.05 0.00 -0.75 0.00 0.00 64.21 63.28 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 1.31 3.92 0.46 0.00 -1.20 -4.99 105.19 104.92 1wfg n GLY 63 Ca 0.19 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.23 2.75 -0.01 1.61 0.52 -1.26 -4.84 118.95 114.50 1wfg s ARG 64 Ca 0.00 -1.31 0.02 0.00 -0.52 0.00 0.00 55.73 53.92 1wfg s ARG 64 Cb 0.00 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 1wfg s ARG 64 CO 0.00 -0.08 -0.04 -0.51 0.02 0.00 0.00 175.30 174.69 1wfg s LEU 65 N -4.14 3.33 0.18 2.53 1.43 -1.26 0.00 118.68 120.75 1wfg s LEU 65 Ca 0.47 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.36 1wfg s LEU 65 Cb -0.06 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1wfg s LEU 65 CO 0.29 0.29 0.42 0.00 0.23 0.00 0.00 176.35 177.58 1wfg s ALA 67 N -3.92 2.63 -0.03 0.00 0.00 -1.26 -1.87 121.76 117.31 1wfg s ALA 67 Ca 0.13 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 1wfg s ALA 67 Cb 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1wfg s ALA 67 CO -0.01 0.57 0.15 -0.06 0.00 0.00 0.00 175.76 176.40 1wfg s PHE 68 N -0.87 -0.08 0.37 0.00 0.40 -0.64 -2.52 117.98 114.65 1wfg s PHE 68 Ca 0.14 0.18 -0.28 0.00 -0.60 0.00 0.00 56.93 56.37 1wfg s PHE 68 Cb -0.11 0.01 -0.10 0.00 0.51 0.00 0.00 43.02 43.34 1wfg s PHE 68 CO 0.04 -0.17 1.38 0.42 0.70 0.00 0.00 175.22 177.59 1wfg s ILE 69 N -0.54 2.40 -0.11 0.64 1.01 -1.02 -1.10 121.20 122.47 1wfg s ILE 69 Ca -0.06 0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 1wfg s ILE 69 Cb -0.04 -3.25 -0.06 0.00 0.01 0.00 0.00 42.46 39.13 1wfg s ILE 69 CO 0.01 0.08 -0.13 0.35 0.00 0.00 0.00 174.94 175.25 1wfg n THR 70 N 0.45 0.61 -3.73 2.92 -2.24 -0.26 -2.49 114.28 109.55 1wfg n THR 70 Ca 0.02 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1wfg n THR 70 Cb 0.41 -1.37 -0.09 0.00 -2.10 0.00 0.00 70.33 67.18 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 -2.21 0.60 -0.19 -0.78 2.20 -1.25 -4.65 119.74 113.47 1wfg s LYS 71 Ca -0.15 0.24 -0.04 0.00 -0.36 0.00 0.00 55.97 55.66 1wfg s LYS 71 Cb 0.05 0.28 0.06 0.00 -1.51 0.00 0.00 37.83 36.71 1wfg s LYS 71 CO 0.21 -0.13 0.06 0.54 -0.36 0.00 0.00 175.35 175.67 1wfg s VAL 72 N -0.52 0.27 0.58 4.02 0.11 -1.26 0.80 120.40 124.40 1wfg s VAL 72 Ca -0.06 -0.42 -0.19 0.00 -2.93 0.00 0.00 61.98 58.38 1wfg s VAL 72 Cb -0.04 -0.86 -0.06 0.00 -1.53 0.00 0.00 36.38 33.90 1wfg s VAL 72 CO 0.03 -0.26 0.87 1.17 -3.33 0.00 0.00 175.10 173.58 1wfg n LYS 73 N 5.14 0.84 -3.13 1.54 4.81 -0.92 -4.91 118.16 121.53 1wfg n LYS 73 Ca -0.08 0.32 -0.43 0.00 -0.87 0.00 0.00 58.31 57.25 1wfg n LYS 73 Cb 0.48 -2.06 -0.07 0.00 0.02 0.00 0.00 35.03 33.40 1wfg n LYS 73 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1wfg s LYS 74 N -2.56 3.21 0.00 1.64 2.47 -1.26 -3.77 119.74 119.47 1wfg s LYS 74 Ca 0.73 -0.57 0.00 0.00 -1.56 0.00 0.00 55.97 54.57 1wfg s LYS 74 Cb -0.43 -4.00 0.00 0.00 -1.46 0.00 0.00 37.83 31.93 1wfg s LYS 74 CO 0.49 -1.09 0.00 0.41 0.16 0.00 0.00 175.35 175.33 1wfg n GLY 75 N 5.09 1.74 3.81 5.54 0.00 -1.26 -5.07 105.19 115.04 1wfg n GLY 75 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1wfg n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfg s SER 76 N -2.00 4.66 0.01 1.61 1.04 -1.25 -4.84 113.70 112.93 1wfg s SER 76 Ca 0.00 -1.01 -0.03 0.00 0.48 0.00 0.00 55.95 55.39 1wfg s SER 76 Cb 0.00 -0.34 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 1wfg s SER 76 CO 0.00 -0.68 1.05 -0.07 0.98 0.00 0.00 173.24 174.52 1wfg h LEU 77 N 1.18 -0.19 -5.32 2.42 3.38 -1.89 0.38 115.31 115.27 1wfg h LEU 77 Ca -0.41 0.03 -0.42 0.00 0.09 0.00 0.00 57.88 57.17 1wfg h LEU 77 Cb 1.27 0.08 0.02 0.00 0.09 0.00 0.00 40.66 42.11 1wfg h LEU 77 CO 0.64 -0.04 2.72 0.00 0.09 0.00 0.00 178.44 181.85 1wfg n ALA 78 N -2.80 5.19 0.03 1.53 0.00 -0.95 -0.22 120.51 123.28 1wfg n ALA 78 Ca -0.00 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.22 1wfg n ALA 78 Cb 0.03 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 16.45 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 4.03 -0.51 0.05 0.00 2.03 -0.47 -3.72 116.55 117.96 1wfg n ASP 79 Ca 0.50 0.16 -0.21 0.00 0.52 0.00 0.00 54.79 55.76 1wfg n ASP 79 Cb 0.17 0.73 -0.15 0.00 -0.72 0.00 0.00 41.12 41.15 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 0.90 0.00 5.18 1.35 -0.08 -2.86 112.91 117.40 1wfg h THR 80 Ca 0.00 -2.54 -0.29 0.00 -0.55 0.00 0.00 66.41 63.03 1wfg h THR 80 Cb 0.00 2.69 -0.05 0.00 -1.73 0.00 0.00 68.15 69.06 1wfg h THR 80 CO 0.00 0.84 -2.11 1.33 -0.25 0.00 0.00 175.52 175.34 1wfg n VAL 81 N -3.51 1.11 0.01 6.82 0.24 -0.52 -4.63 118.33 117.85 1wfg n VAL 81 Ca -0.24 -0.45 -0.18 0.00 -2.04 0.00 0.00 64.34 61.42 1wfg n VAL 81 Cb 1.06 -1.13 -0.14 0.00 -1.47 0.00 0.00 33.84 32.17 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 1.68 0.27 -3.39 7.63 0.00 -0.82 -3.45 103.07 104.99 1wfg h GLY 82 Ca -0.43 -0.65 -0.33 0.00 0.00 0.00 0.00 47.33 45.92 1wfg h GLY 82 CO -0.06 0.57 -0.48 1.42 0.00 0.00 0.00 176.54 178.00 1wfg n HIS 83 N -4.26 -1.41 -0.75 5.60 -0.00 -1.08 -4.73 115.22 108.59 1wfg n HIS 83 Ca -0.12 0.33 -0.07 0.00 -0.00 0.00 0.00 57.72 57.85 1wfg n HIS 83 Cb 0.71 -3.73 0.06 0.00 -0.00 0.00 0.00 29.99 27.03 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 -3.09 0.00 -3.51 2.41 7.99 -1.24 -4.89 117.00 114.66 1wfg n LEU 84 Ca -0.12 -0.30 -0.17 0.00 -0.01 0.00 0.00 56.01 55.41 1wfg n LEU 84 Cb 0.61 -0.24 -0.06 0.00 -0.11 0.00 0.00 43.42 43.62 1wfg n LEU 84 CO 0.35 -1.17 0.44 -0.13 -1.51 0.00 0.00 177.39 175.37 1wfg s ARG 85 N -3.63 1.07 -0.94 3.23 0.52 -1.26 -4.84 118.95 113.11 1wfg s ARG 85 Ca 0.17 0.20 -0.24 0.00 -0.52 0.00 0.00 55.73 55.35 1wfg s ARG 85 Cb -0.01 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.96 1wfg s ARG 85 CO 0.13 -0.35 1.69 -1.25 0.02 0.00 0.00 175.30 175.54 1wfg s PRO 86 N -1.40 3.07 0.00 3.54 0.04 -1.26 -3.05 135.00 135.94 1wfg s PRO 86 Ca -0.10 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1wfg s PRO 86 Cb -0.00 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1wfg s PRO 86 CO 0.08 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 174.77 1wfg n GLY 87 N 6.77 1.16 3.01 0.56 0.00 -1.04 -4.85 105.19 110.80 1wfg n GLY 87 Ca 0.35 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 46.11 1wfg n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wfg n ASP 88 N 0.00 -3.14 -3.62 1.61 8.00 -1.17 -4.60 116.55 113.63 1wfg n ASP 88 Ca 0.00 -0.45 -0.29 0.00 0.71 0.00 0.00 54.79 54.76 1wfg n ASP 88 Cb 0.00 -0.77 -0.15 0.00 -0.02 0.00 0.00 41.12 40.18 1wfg n ASP 88 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wfg s GLU 89 N -3.60 0.40 -0.08 -1.24 2.12 -1.26 -2.44 118.70 112.59 1wfg s GLU 89 Ca 0.36 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.69 1wfg s GLU 89 Cb -0.06 -1.53 -0.03 0.00 0.26 0.00 0.00 34.13 32.76 1wfg s GLU 89 CO 0.31 -0.98 1.24 0.54 -0.54 0.00 0.00 175.26 175.83 1wfg s VAL 90 N 1.91 4.21 -0.19 3.70 0.11 -1.05 -2.58 120.40 126.52 1wfg s VAL 90 Ca 0.09 1.53 -0.16 0.00 -2.93 0.00 0.00 61.98 60.50 1wfg s VAL 90 Cb -0.16 -3.98 -0.12 0.00 -1.53 0.00 0.00 36.38 30.59 1wfg s VAL 90 CO -0.30 -0.04 -0.02 0.18 -3.33 0.00 0.00 175.10 171.59 1wfg n LEU 91 N 5.63 1.85 -4.68 2.54 4.77 0.46 -4.10 117.00 123.47 1wfg n LEU 91 Ca 0.12 0.49 -0.23 0.00 -0.03 0.00 0.00 56.01 56.36 1wfg n LEU 91 Cb 0.46 -0.90 -0.07 0.00 -2.33 0.00 0.00 43.42 40.57 1wfg n LEU 91 CO 0.56 -0.00 -0.30 -1.61 -1.33 0.00 0.00 177.39 174.71 1wfg s GLU 92 N -2.37 2.41 -0.34 3.23 2.02 -1.23 0.18 118.70 122.60 1wfg s GLU 92 Ca -0.25 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 53.39 1wfg s GLU 92 Cb 0.05 -2.23 0.14 0.00 0.10 0.00 0.00 34.13 32.19 1wfg s GLU 92 CO 0.44 0.37 0.25 -0.46 0.02 0.00 0.00 175.26 175.88 1wfg s TRP 93 N -2.29 0.28 -0.14 1.61 -0.11 0.93 -2.95 118.94 116.28 1wfg s TRP 93 Ca 0.32 -1.19 0.00 0.00 1.22 0.00 0.00 56.10 56.45 1wfg s TRP 93 Cb -0.07 -0.73 0.00 0.00 -1.50 0.00 0.00 33.47 31.17 1wfg s TRP 93 CO 0.21 -0.88 0.00 -1.71 -4.62 0.00 0.00 176.95 169.95 1wfg n ASN 94 N 4.35 -3.44 0.00 5.86 2.85 0.59 -2.54 115.26 122.93 1wfg n ASN 94 Ca 0.08 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 1wfg n ASN 94 Cb 0.41 -1.06 0.00 0.00 1.24 0.00 0.00 39.78 40.37 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 -2.45 0.92 3.63 8.20 0.00 -1.26 -4.83 105.19 109.40 1wfg n GLY 95 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.46 4.09 0.13 1.61 1.81 -1.05 -5.01 118.95 120.06 1wfg s ARG 96 Ca 0.00 0.76 -0.31 0.00 -1.72 0.00 0.00 55.73 54.46 1wfg s ARG 96 Cb 0.00 -3.68 -0.08 0.00 -0.45 0.00 0.00 34.95 30.74 1wfg s ARG 96 CO 0.00 -0.57 1.35 -1.17 -0.68 0.00 0.00 175.30 174.22 1wfg s LEU 97 N 2.86 4.38 -0.01 2.53 2.96 -1.26 -0.05 118.68 130.09 1wfg s LEU 97 Ca 0.33 2.32 0.21 0.00 -0.22 0.00 0.00 54.13 56.76 1wfg s LEU 97 Cb -0.15 -3.59 -0.24 0.00 0.50 0.00 0.00 46.19 42.71 1wfg s LEU 97 CO 0.10 -0.60 0.54 0.18 -1.32 0.00 0.00 176.35 175.25 1wfg n LEU 98 N 3.55 0.25 -4.64 -0.68 4.77 0.49 -4.68 117.00 116.06 1wfg n LEU 98 Ca 0.10 0.10 -0.46 0.00 -0.03 0.00 0.00 56.01 55.72 1wfg n LEU 98 Cb 0.43 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1wfg n LEU 98 CO 0.58 0.08 1.62 0.00 -1.33 0.00 0.00 177.39 178.34 1wfg n GLN 99 N -2.50 2.23 0.00 3.23 6.02 -1.24 -0.38 117.38 124.74 1wfg n GLN 99 Ca -0.09 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 1wfg n GLN 99 Cb 0.71 -2.84 0.00 0.00 1.02 0.00 0.00 30.24 29.13 1wfg n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wfg n GLY 100 N 4.91 2.85 3.76 1.08 0.00 0.11 -4.99 105.19 112.91 1wfg n GLY 100 Ca 0.25 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1wfg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg s ALA 101 N -2.11 3.10 0.73 4.61 0.00 0.49 -4.69 121.76 123.90 1wfg s ALA 101 Ca 0.00 1.45 -0.11 0.00 0.00 0.00 0.00 51.96 53.30 1wfg s ALA 101 Cb 0.00 -3.59 0.04 0.00 0.00 0.00 0.00 23.12 19.57 1wfg s ALA 101 CO 0.00 -1.29 1.10 0.95 0.00 0.00 0.00 175.76 176.53 1wfg s THR 102 N -1.23 2.85 0.25 0.00 -4.23 -1.26 -3.21 115.64 108.82 1wfg s THR 102 Ca 0.65 0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 61.29 1wfg s THR 102 Cb -0.43 -3.26 0.29 0.00 1.34 0.00 0.00 72.50 70.44 1wfg s THR 102 CO 0.54 -0.33 1.63 0.15 -0.54 0.00 0.00 174.62 176.08 1wfg h PHE 103 N -0.75 -0.02 0.36 3.99 3.04 -1.85 0.25 116.94 121.96 1wfg h PHE 103 Ca -0.45 0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.54 1wfg h PHE 103 Cb 1.29 0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.93 1wfg h PHE 103 CO 0.41 -0.25 -0.17 0.93 -2.02 0.00 0.00 178.31 177.22 1wfg h GLU 104 N 0.11 -0.47 -0.38 1.11 5.08 -1.92 -1.52 114.58 116.60 1wfg h GLU 104 Ca 0.43 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.89 1wfg h GLU 104 Cb 0.78 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.05 1wfg h GLU 104 CO -0.68 -0.20 -0.41 0.93 -1.00 0.00 0.00 179.01 177.66 1wfg h GLU 105 N -0.68 -0.32 -0.36 2.33 5.08 -1.50 1.26 114.58 120.39 1wfg h GLU 105 Ca -0.05 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1wfg h GLU 105 Cb 0.48 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.72 1wfg h GLU 105 CO 0.08 -0.21 -0.18 0.28 -1.00 0.00 0.00 179.01 177.98 1wfg h VAL 106 N -0.33 0.45 0.78 3.13 2.07 -0.55 -0.42 116.25 121.38 1wfg h VAL 106 Ca 0.14 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 1wfg h VAL 106 Cb 0.58 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1wfg h VAL 106 CO -0.55 0.00 -0.42 0.22 0.02 0.00 0.00 177.57 176.84 1wfg h TYR 107 N -0.13 -1.11 -0.99 1.57 5.03 0.01 -2.61 116.97 118.75 1wfg h TYR 107 Ca 0.18 -0.02 0.23 0.00 2.58 0.00 0.00 58.73 61.70 1wfg h TYR 107 Cb 0.40 0.38 -0.19 0.00 1.55 0.00 0.00 36.73 38.88 1wfg h TYR 107 CO -0.40 -0.66 -0.13 -0.91 -1.32 0.00 0.00 178.16 174.74 1wfg h ASN 108 N -1.11 -0.74 -0.06 -2.11 2.35 0.20 0.72 115.58 114.83 1wfg h ASN 108 Ca -0.10 0.29 0.04 0.00 -0.55 0.00 0.00 56.30 55.97 1wfg h ASN 108 Cb 0.87 0.56 -0.06 0.00 0.05 0.00 0.00 38.32 39.74 1wfg h ASN 108 CO 0.14 -0.34 -0.40 0.40 -1.65 0.00 0.00 177.43 175.58 1wfg h ILE 109 N 0.00 0.17 -0.14 2.81 2.04 -0.75 0.87 117.51 122.51 1wfg h ILE 109 Ca 0.53 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.43 1wfg h ILE 109 Cb 0.94 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1wfg h ILE 109 CO -0.98 0.00 0.22 0.40 0.00 0.00 0.00 178.15 177.79 1wfg h ILE 110 N -0.52 0.30 0.00 -0.67 2.04 0.66 0.92 117.51 120.24 1wfg h ILE 110 Ca 0.06 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.80 1wfg h ILE 110 Cb 0.63 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1wfg h ILE 110 CO -0.35 0.00 -0.81 0.25 0.00 0.00 0.00 178.15 177.24 1wfg h LEU 111 N 0.00 0.00 0.00 1.44 5.85 0.29 -3.20 115.31 119.69 1wfg h LEU 111 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1wfg h LEU 111 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1wfg h LEU 111 CO -0.00 0.53 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.10 1wfg h GLU 112 N 0.00 0.00 -0.44 1.25 5.08 0.71 -3.07 114.58 118.12 1wfg h GLU 112 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1wfg h GLU 112 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1wfg h GLU 112 CO 0.06 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.94 1wfg n SER 113 N -2.73 2.83 0.10 1.42 3.41 -0.13 -4.28 113.62 114.24 1wfg n SER 113 Ca 0.04 -1.94 -0.13 0.00 -0.26 0.00 0.00 58.87 56.58 1wfg n SER 113 Cb 0.50 -0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 1wfg n SER 113 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1wfg h LYS 114 N 3.35 -0.23 -0.00 4.33 3.64 -1.56 -2.71 116.57 123.39 1wfg h LYS 114 Ca 0.00 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1wfg h LYS 114 Cb 0.75 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1wfg h LYS 114 CO 0.00 -0.15 -0.76 -1.00 -2.27 0.00 0.00 179.45 175.27 1wfg h PRO 115 N -0.24 0.04 -5.95 1.90 0.13 -1.82 -3.47 132.00 122.59 1wfg h PRO 115 Ca 0.00 -0.04 -0.62 0.00 -0.87 0.00 0.00 66.00 64.47 1wfg h PRO 115 Cb 0.23 0.01 0.15 0.00 0.13 0.00 0.00 31.00 31.52 1wfg h PRO 115 CO -0.03 0.78 -0.88 0.39 -0.23 0.00 0.00 178.00 178.03 1wfg n GLU 116 N -3.66 0.00 0.08 0.86 -0.58 -1.02 -4.86 120.64 111.46 1wfg n GLU 116 Ca -0.01 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.64 1wfg n GLU 116 Cb 0.73 -0.99 0.02 0.00 -0.57 0.00 0.00 31.44 30.63 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 0.41 0.24 -4.95 3.49 0.13 -1.90 -3.46 132.00 125.97 1wfg h PRO 117 Ca -0.35 -0.23 -0.51 0.00 -0.87 0.00 0.00 66.00 64.04 1wfg h PRO 117 Cb 1.43 0.06 -0.13 0.00 0.13 0.00 0.00 31.00 32.49 1wfg h PRO 117 CO 0.48 0.93 -0.50 1.14 -0.23 0.00 0.00 178.00 179.82 1wfg s GLN 118 N -3.36 1.83 -0.23 0.86 -2.07 -1.26 -1.77 119.66 113.66 1wfg s GLN 118 Ca -0.04 -2.08 -0.03 0.00 -1.82 0.00 0.00 55.36 51.39 1wfg s GLN 118 Cb 0.10 -0.01 0.11 0.00 -1.09 0.00 0.00 33.01 32.13 1wfg s GLN 118 CO 0.83 -0.60 0.28 0.08 -1.32 0.00 0.00 175.29 174.56 1wfg s VAL 119 N -3.36 -0.43 -0.23 3.63 1.01 0.13 -4.93 120.40 116.22 1wfg s VAL 119 Ca 0.34 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 1wfg s VAL 119 Cb 0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1wfg s VAL 119 CO 0.23 -0.21 0.51 -0.70 0.00 0.00 0.00 175.10 174.93 1wfg s GLU 120 N 2.40 4.14 0.28 2.72 2.12 -1.26 -1.20 118.70 127.90 1wfg s GLU 120 Ca 0.09 0.37 0.07 0.00 0.36 0.00 0.00 54.97 55.86 1wfg s GLU 120 Cb -0.15 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 1wfg s GLU 120 CO -0.16 -0.24 0.22 -0.51 -0.54 0.00 0.00 175.26 174.03 1wfg s LEU 121 N 1.93 3.75 -0.27 2.70 1.43 0.40 0.22 118.68 128.83 1wfg s LEU 121 Ca 0.23 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1wfg s LEU 121 Cb -0.15 -2.30 0.14 0.00 0.03 0.00 0.00 46.19 43.90 1wfg s LEU 121 CO 0.09 -0.13 0.32 -0.69 0.23 0.00 0.00 176.35 176.18 1wfg s VAL 122 N -2.18 -0.48 -0.01 -1.59 1.01 -1.15 -1.58 120.40 114.42 1wfg s VAL 122 Ca 0.35 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1wfg s VAL 122 Cb -0.07 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1wfg s VAL 122 CO 0.25 -0.35 -0.02 0.68 0.00 0.00 0.00 175.10 175.66 1wfg s VAL 123 N 2.43 3.98 -0.22 2.92 -7.23 0.32 0.17 120.40 122.77 1wfg s VAL 123 Ca 0.10 -0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 59.63 1wfg s VAL 123 Cb -0.14 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.07 1wfg s VAL 123 CO -0.27 0.41 -0.10 -0.55 -0.31 0.00 0.00 175.10 174.27 1wfg s SER 124 N -1.42 3.95 0.31 4.85 0.15 -1.06 0.20 113.70 120.68 1wfg s SER 124 Ca 0.18 -0.71 0.07 0.00 0.70 0.00 0.00 55.95 56.18 1wfg s SER 124 Cb -0.11 -1.62 -0.02 0.00 -1.71 0.00 0.00 66.02 62.56 1wfg s SER 124 CO 0.08 -0.06 0.38 -0.60 1.20 0.00 0.00 173.24 174.24 1wfg s ARG 125 N 1.34 3.04 -0.25 5.44 3.52 0.57 -4.52 118.95 128.09 1wfg s ARG 125 Ca 0.03 -1.06 -0.10 0.00 -0.13 0.00 0.00 55.73 54.47 1wfg s ARG 125 Cb -0.15 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 1wfg s ARG 125 CO -0.07 0.16 0.14 0.45 -0.81 0.00 0.00 175.30 175.17 1wfg s SER 126 N -4.06 5.81 0.36 -2.12 0.15 -1.26 0.19 113.70 112.77 1wfg s SER 126 Ca 0.41 -0.01 0.05 0.00 0.70 0.00 0.00 55.95 57.11 1wfg s SER 126 Cb -0.08 -2.05 0.05 0.00 -1.71 0.00 0.00 66.02 62.23 1wfg s SER 126 CO 0.29 0.02 0.44 0.61 1.20 0.00 0.00 173.24 175.79 1wfg n GLY 127 N 4.61 2.22 3.76 9.45 0.00 0.51 -4.83 105.19 120.90 1wfg n GLY 127 Ca -0.15 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.26 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 -3.61 4.66 0.16 1.61 0.04 -1.26 -4.83 135.00 131.77 1wfg s PRO 128 Ca 0.33 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1wfg s PRO 128 Cb -0.03 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1wfg s PRO 128 CO 0.21 0.24 0.00 0.45 0.04 0.00 0.00 177.00 177.95 1wfg n SER 129 N 1.21 -0.98 -3.06 6.66 2.88 -1.26 -4.55 113.62 114.52 1wfg n SER 129 Ca -0.01 0.29 -0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1wfg n SER 129 Cb 0.45 1.11 -0.00 0.00 -0.75 0.00 0.00 64.21 65.02 1wfg n SER 129 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfg s SER 130 N -3.36 -1.46 0.00 -3.46 1.04 -1.26 -5.16 113.70 100.03 1wfg s SER 130 Ca 0.00 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1wfg s SER 130 Cb 0.00 1.89 0.00 0.00 0.10 0.00 0.00 66.02 68.01 1wfg s SER 130 CO 0.00 -0.13 0.06 0.61 0.98 0.00 0.00 173.24 174.76