#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 2.69 0.14 1.61 1.04 -1.26 -5.13 113.70 112.79 1wfg s SER 2 Ca 0.00 -0.51 -0.24 0.00 0.48 0.00 0.00 55.95 55.68 1wfg s SER 2 Cb 0.00 -0.25 0.07 0.00 0.10 0.00 0.00 66.02 65.94 1wfg s SER 2 CO 0.00 0.22 0.70 -0.55 0.98 0.00 0.00 173.24 174.59 1wfg s SER 3 N -1.02 -0.46 -0.14 7.02 0.15 -1.26 -5.14 113.70 112.85 1wfg s SER 3 Ca 0.09 -0.12 -0.22 0.00 0.70 0.00 0.00 55.95 56.40 1wfg s SER 3 Cb -0.09 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1wfg s SER 3 CO 0.01 -0.95 0.69 -0.83 1.20 0.00 0.00 173.24 173.36 1wfg s GLY 4 N -2.73 2.29 -0.33 9.45 0.00 -1.26 -4.95 107.32 109.78 1wfg s GLY 4 Ca 0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 44.72 44.62 1wfg s GLY 4 CO -0.08 1.30 1.10 -0.56 0.00 0.00 0.00 173.10 174.86 1wfg s SER 5 N 1.01 -0.26 -0.17 1.64 0.01 -1.26 -5.17 113.70 109.50 1wfg s SER 5 Ca 0.34 -0.27 -0.32 0.00 1.31 0.00 0.00 55.95 57.01 1wfg s SER 5 Cb -0.17 0.33 0.14 0.00 0.21 0.00 0.00 66.02 66.54 1wfg s SER 5 CO 0.13 -0.01 1.13 -0.55 0.41 0.00 0.00 173.24 174.35 1wfg s SER 6 N 1.18 -0.22 0.00 2.44 0.15 -1.26 -5.10 113.70 110.89 1wfg s SER 6 Ca 0.22 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1wfg s SER 6 Cb 0.11 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1wfg s SER 6 CO -0.12 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1wfg n GLY 7 N 0.25 -2.30 2.80 9.45 0.00 -1.26 -5.11 105.19 109.02 1wfg n GLY 7 Ca -0.04 0.75 -0.03 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 -2.82 -3.99 1.61 -0.00 -1.26 -4.97 115.22 103.79 1wfg n HIS 8 Ca 0.00 1.60 -0.36 0.00 -0.00 0.00 0.00 57.72 58.95 1wfg n HIS 8 Cb 0.00 -2.87 -0.07 0.00 -0.00 0.00 0.00 29.99 27.05 1wfg n HIS 8 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1wfg s SER 9 N -0.55 6.10 0.50 0.41 1.04 -1.26 -5.11 113.70 114.83 1wfg s SER 9 Ca -0.16 0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.72 1wfg s SER 9 Cb 0.01 -1.93 0.03 0.00 0.10 0.00 0.00 66.02 64.23 1wfg s SER 9 CO 0.51 0.39 0.48 -2.28 0.98 0.00 0.00 173.24 173.31 1wfg s HIS 10 N -0.91 2.00 -0.47 5.02 5.65 -1.26 -5.10 115.29 120.22 1wfg s HIS 10 Ca 0.14 -0.68 0.04 0.00 0.25 0.00 0.00 55.06 54.81 1wfg s HIS 10 Cb -0.12 -2.08 0.22 0.00 -1.18 0.00 0.00 32.58 29.42 1wfg s HIS 10 CO 0.03 -0.49 0.89 0.43 -0.65 0.00 0.00 174.74 174.95 1wfg n SER 11 N -1.79 -2.78 -3.69 9.88 7.64 -1.26 -5.07 113.62 116.56 1wfg n SER 11 Ca 0.04 -2.72 -0.27 0.00 1.01 0.00 0.00 58.87 56.93 1wfg n SER 11 Cb 0.63 1.56 -0.11 0.00 -1.01 0.00 0.00 64.21 65.27 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 2.24 2.08 0.00 6.43 9.92 -1.26 -5.01 116.55 130.96 1wfg n ASP 12 Ca 0.12 -3.00 0.00 0.00 -0.53 0.00 0.00 54.79 51.38 1wfg n ASP 12 Cb 0.61 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 1wfg n ASP 12 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1wfg n LYS 13 N 2.04 0.00 -4.96 -1.24 4.76 -1.26 -4.98 118.16 112.52 1wfg n LYS 13 Ca 0.24 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.36 1wfg n LYS 13 Cb 0.40 -0.01 -0.14 0.00 -1.84 0.00 0.00 35.03 33.44 1wfg n LYS 13 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1wfg s HIS 14 N 0.00 2.57 0.08 2.13 3.76 -1.26 -5.03 115.29 117.54 1wfg s HIS 14 Ca 0.00 -0.26 -0.14 0.00 -0.15 0.00 0.00 55.06 54.52 1wfg s HIS 14 Cb 0.00 -1.56 -0.21 0.00 1.11 0.00 0.00 32.58 31.93 1wfg s HIS 14 CO 0.00 0.14 1.23 -1.00 -0.85 0.00 0.00 174.74 174.26 1wfg h PRO 15 N 5.21 0.73 -5.78 8.40 0.13 -1.94 -3.44 132.00 135.32 1wfg h PRO 15 Ca -0.46 -0.72 -0.65 0.00 -0.87 0.00 0.00 66.00 63.30 1wfg h PRO 15 Cb 1.14 0.19 -0.07 0.00 0.13 0.00 0.00 31.00 32.39 1wfg h PRO 15 CO 0.49 1.30 -0.50 0.14 -0.23 0.00 0.00 178.00 179.20 1wfg s VAL 16 N -3.47 5.36 -0.14 1.56 -7.23 -1.26 -3.19 120.40 112.02 1wfg s VAL 16 Ca -0.10 -0.06 -0.06 0.00 -1.81 0.00 0.00 61.98 59.95 1wfg s VAL 16 Cb 0.07 -3.43 0.06 0.00 0.56 0.00 0.00 36.38 33.64 1wfg s VAL 16 CO 0.91 0.43 0.31 0.42 -0.31 0.00 0.00 175.10 176.87 1wfg s THR 17 N -1.20 -0.31 -0.35 5.32 -4.23 -0.42 -4.97 115.64 109.48 1wfg s THR 17 Ca 0.22 0.20 -0.06 0.00 -1.18 0.00 0.00 61.69 60.87 1wfg s THR 17 Cb -0.12 -0.49 0.04 0.00 1.34 0.00 0.00 72.50 73.27 1wfg s THR 17 CO 0.13 0.08 0.12 0.26 -0.54 0.00 0.00 174.62 174.67 1wfg s TRP 18 N 2.02 3.27 0.06 3.99 0.52 -1.26 0.16 118.94 127.70 1wfg s TRP 18 Ca -0.03 -1.47 0.03 0.00 0.02 0.00 0.00 56.10 54.65 1wfg s TRP 18 Cb -0.11 -2.35 -0.03 0.00 -1.15 0.00 0.00 33.47 29.83 1wfg s TRP 18 CO -0.10 -0.75 -0.10 -0.65 0.02 0.00 0.00 176.95 175.37 1wfg s GLN 19 N 1.39 0.67 0.68 4.98 1.11 0.57 -4.97 119.66 124.09 1wfg s GLN 19 Ca -0.01 -0.87 -0.11 0.00 0.01 0.00 0.00 55.36 54.38 1wfg s GLN 19 Cb -0.20 -0.52 0.00 0.00 -1.01 0.00 0.00 33.01 31.28 1wfg s GLN 19 CO 0.02 0.10 1.06 -1.25 0.01 0.00 0.00 175.29 175.24 1wfg s PRO 20 N -1.73 2.99 0.94 2.91 0.04 -1.26 0.18 135.00 139.06 1wfg s PRO 20 Ca -0.06 0.98 -0.14 0.00 0.04 0.00 0.00 61.00 61.82 1wfg s PRO 20 Cb -0.09 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.61 1wfg s PRO 20 CO 0.01 -1.06 1.18 -1.54 0.04 0.00 0.00 177.00 175.63 1wfg s SER 21 N -3.68 3.31 0.26 6.66 1.04 -0.30 -4.65 113.70 116.34 1wfg s SER 21 Ca 0.59 0.73 -0.11 0.00 0.48 0.00 0.00 55.95 57.64 1wfg s SER 21 Cb -0.14 -1.13 0.38 0.00 0.10 0.00 0.00 66.02 65.23 1wfg s SER 21 CO 0.53 -2.65 1.57 0.50 0.98 0.00 0.00 173.24 174.16 1wfg h LYS 22 N -1.57 -0.01 0.25 4.02 3.64 -1.97 -1.78 116.57 119.15 1wfg h LYS 22 Ca -0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1wfg h LYS 22 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1wfg h LYS 22 CO 0.54 -0.00 -0.12 0.22 -2.27 0.00 0.00 179.45 177.82 1wfg h ASP 23 N -0.01 -0.28 0.00 4.20 3.58 -1.93 -3.49 116.42 118.50 1wfg h ASP 23 Ca 0.43 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.89 1wfg h ASP 23 Cb 0.67 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1wfg h ASP 23 CO -0.98 -0.07 0.00 0.61 -2.88 0.00 0.00 179.24 175.93 1wfg n GLY 24 N 0.34 1.08 0.39 -0.78 0.00 -0.67 -4.94 105.19 100.61 1wfg n GLY 24 Ca -0.04 -0.03 0.20 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.82 1.61 5.19 -1.94 -3.40 116.42 117.06 1wfg h ASP 25 Ca 0.00 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.81 1wfg h ASP 25 Cb 0.00 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.39 1wfg h ASP 25 CO 0.00 0.00 -0.67 -0.13 -3.12 0.00 0.00 179.24 175.32 1wfg s ARG 26 N -4.49 2.31 -0.18 3.56 1.81 -1.26 -1.22 118.95 119.48 1wfg s ARG 26 Ca -0.04 -1.19 0.01 0.00 -1.72 0.00 0.00 55.73 52.80 1wfg s ARG 26 Cb 0.14 -2.28 0.02 0.00 -0.45 0.00 0.00 34.95 32.38 1wfg s ARG 26 CO 0.48 0.44 -0.18 -1.17 -0.68 0.00 0.00 175.30 174.18 1wfg s LEU 27 N -3.01 2.17 -0.42 2.53 1.98 0.36 -1.14 118.68 121.14 1wfg s LEU 27 Ca 0.27 -0.69 -0.19 0.00 -2.89 0.00 0.00 54.13 50.64 1wfg s LEU 27 Cb -0.09 -1.43 0.02 0.00 0.66 0.00 0.00 46.19 45.35 1wfg s LEU 27 CO 0.18 -0.03 0.52 -0.63 -1.89 0.00 0.00 176.35 174.50 1wfg s ILE 28 N 1.31 4.98 -0.14 6.68 -1.09 0.47 -0.69 121.20 132.72 1wfg s ILE 28 Ca 0.04 -0.10 -0.06 0.00 -2.23 0.00 0.00 60.65 58.30 1wfg s ILE 28 Cb -0.14 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 1wfg s ILE 28 CO -0.12 -0.47 0.07 -0.83 -1.23 0.00 0.00 174.94 172.37 1wfg s GLY 29 N 1.88 1.98 -0.06 6.18 0.00 0.62 -0.31 107.32 117.60 1wfg s GLY 29 Ca 0.17 -0.73 0.05 0.00 0.00 0.00 0.00 44.72 44.22 1wfg s GLY 29 CO 0.16 -0.24 -0.23 -1.60 0.00 0.00 0.00 173.10 171.19 1wfg s ARG 30 N -0.38 2.60 -0.19 2.90 3.52 0.12 0.89 118.95 128.41 1wfg s ARG 30 Ca 0.10 -0.87 -0.01 0.00 -0.13 0.00 0.00 55.73 54.81 1wfg s ARG 30 Cb -0.12 -2.21 0.05 0.00 -1.56 0.00 0.00 34.95 31.11 1wfg s ARG 30 CO 0.02 0.39 -0.00 0.42 -0.81 0.00 0.00 175.30 175.32 1wfg s ILE 31 N -0.18 0.86 -0.28 4.11 1.09 -0.74 -1.31 121.20 124.75 1wfg s ILE 31 Ca -0.03 -0.69 -0.06 0.00 -1.10 0.00 0.00 60.65 58.77 1wfg s ILE 31 Cb -0.14 -1.23 0.00 0.00 -1.06 0.00 0.00 42.46 40.04 1wfg s ILE 31 CO 0.03 -0.10 0.06 -0.22 -0.10 0.00 0.00 174.94 174.61 1wfg s LEU 32 N 1.71 3.63 -0.01 2.97 2.96 -1.19 0.20 118.68 128.95 1wfg s LEU 32 Ca -0.01 -0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 1wfg s LEU 32 Cb -0.17 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1wfg s LEU 32 CO -0.07 -0.14 0.10 -0.76 -1.32 0.00 0.00 176.35 174.15 1wfg s LEU 33 N 1.51 3.97 -0.05 -0.68 2.01 0.49 -4.63 118.68 121.29 1wfg s LEU 33 Ca 0.03 0.18 -0.01 0.00 0.01 0.00 0.00 54.13 54.35 1wfg s LEU 33 Cb -0.16 -2.32 0.03 0.00 0.01 0.00 0.00 46.19 43.75 1wfg s LEU 33 CO 0.02 0.27 0.00 0.21 1.01 0.00 0.00 176.35 177.86 1wfg s ASN 34 N -1.75 1.15 -0.11 2.29 3.84 -1.26 0.34 114.94 119.44 1wfg s ASN 34 Ca 0.23 -0.05 0.17 0.00 0.21 0.00 0.00 52.86 53.42 1wfg s ASN 34 Cb -0.12 -0.34 -0.24 0.00 -0.55 0.00 0.00 41.25 40.00 1wfg s ASN 34 CO 0.14 -0.16 0.38 0.29 -2.79 0.00 0.00 177.10 174.96 1wfg n LYS 35 N 4.78 0.66 -1.27 0.43 4.01 0.29 -4.92 118.16 122.14 1wfg n LYS 35 Ca -0.14 0.10 -0.51 0.00 -0.51 0.00 0.00 58.31 57.26 1wfg n LYS 35 Cb 0.50 -1.64 -0.12 0.00 -0.51 0.00 0.00 35.03 33.26 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 -2.82 0.00 -0.49 1.97 1.74 -1.24 -4.59 116.66 111.23 1wfg n ARG 36 Ca -0.23 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.65 1wfg n ARG 36 Cb 1.04 -1.43 0.17 0.00 -1.02 0.00 0.00 32.46 31.22 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 8.14 -1.25 -0.15 0.55 4.77 0.03 -4.47 117.00 124.62 1wfg n LEU 37 Ca 0.56 -0.44 -0.03 0.00 -0.03 0.00 0.00 56.01 56.07 1wfg n LEU 37 Cb -0.01 -0.81 0.03 0.00 -2.33 0.00 0.00 43.42 40.30 1wfg n LEU 37 CO 0.86 -3.42 0.77 0.50 -1.33 0.00 0.00 177.39 174.77 1wfg h LYS 38 N -2.79 0.01 -0.95 3.23 3.11 -1.88 0.46 116.57 117.76 1wfg h LYS 38 Ca -0.27 -0.00 0.19 0.00 -2.81 0.00 0.00 60.65 57.75 1wfg h LYS 38 Cb 0.86 -0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 32.00 1wfg h LYS 38 CO 0.17 0.01 0.60 -0.44 -2.81 0.00 0.00 179.45 176.98 1wfg h ASP 39 N 0.01 0.61 0.00 4.20 3.32 -2.00 -3.45 116.42 119.12 1wfg h ASP 39 Ca 0.24 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1wfg h ASP 39 Cb 0.36 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1wfg h ASP 39 CO -0.49 0.25 0.00 0.61 -1.72 0.00 0.00 179.24 177.89 1wfg n GLY 40 N -1.43 0.76 3.44 2.75 0.00 0.16 -5.14 105.19 105.74 1wfg n GLY 40 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 1wfg n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 41 N -0.80 -0.63 0.18 1.61 0.01 -1.24 -4.81 113.70 108.03 1wfg s SER 41 Ca 0.00 1.13 -0.30 0.00 1.31 0.00 0.00 55.95 58.09 1wfg s SER 41 Cb 0.00 1.09 -0.08 0.00 0.21 0.00 0.00 66.02 67.24 1wfg s SER 41 CO 0.00 -0.20 1.09 -0.69 0.41 0.00 0.00 173.24 173.85 1wfg s VAL 42 N 0.78 3.89 0.83 3.43 1.01 -1.26 -0.79 120.40 128.29 1wfg s VAL 42 Ca -0.04 1.64 -0.14 0.00 0.00 0.00 0.00 61.98 63.44 1wfg s VAL 42 Cb -0.05 -4.05 0.20 0.00 0.00 0.00 0.00 36.38 32.48 1wfg s VAL 42 CO -0.06 0.28 0.91 -0.81 0.00 0.00 0.00 175.10 175.43 1wfg n PRO 43 N 2.36 -1.79 -0.54 2.72 -0.04 -1.26 -4.84 135.00 131.61 1wfg n PRO 43 Ca 0.03 -1.43 0.44 0.00 -0.04 0.00 0.00 63.50 62.49 1wfg n PRO 43 Cb 0.46 -1.13 0.71 0.00 -0.04 0.00 0.00 33.50 33.50 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 -3.56 -0.02 0.00 0.54 5.12 -1.26 -4.07 116.66 113.41 1wfg n ARG 44 Ca 0.12 1.17 0.00 0.00 -1.93 0.00 0.00 57.85 57.21 1wfg n ARG 44 Cb 0.44 -2.43 0.00 0.00 -1.16 0.00 0.00 32.46 29.31 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 -4.40 0.00 0.09 0.55 5.75 -1.26 -5.06 116.55 112.22 1wfg n ASP 45 Ca 0.41 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 55.06 1wfg n ASP 45 Cb 1.69 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 41.72 1wfg n ASP 45 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1wfg h SER 46 N 0.00 -1.04 0.00 -1.12 0.87 -1.94 -3.43 113.55 106.89 1wfg h SER 46 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1wfg h SER 46 Cb 0.00 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1wfg h SER 46 CO 0.00 -0.42 0.00 0.61 -0.53 0.00 0.00 176.83 176.49 1wfg n GLY 47 N -1.43 -1.98 0.26 5.77 0.00 -1.26 -5.02 105.19 101.54 1wfg n GLY 47 Ca -0.06 0.96 0.05 0.00 0.00 0.00 0.00 46.02 46.97 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 0.00 0.89 0.00 4.61 0.00 -1.88 1.49 119.26 124.36 1wfg h ALA 48 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wfg h ALA 48 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wfg h ALA 48 CO 0.00 -0.35 0.00 -1.33 0.00 0.00 0.00 179.25 177.57 1wfg n MET 49 N -5.18 0.16 -0.92 0.00 2.81 -1.26 -4.78 117.12 107.94 1wfg n MET 49 Ca 0.13 0.60 0.00 0.00 -1.81 0.00 0.00 57.70 56.62 1wfg n MET 49 Cb 0.44 -1.96 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 1wfg n MET 49 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1wfg n LEU 50 N -2.28 0.56 -1.84 4.03 4.32 0.51 -2.43 117.00 119.86 1wfg n LEU 50 Ca -0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.90 1wfg n LEU 50 Cb 0.07 -1.40 0.03 0.00 -1.62 0.00 0.00 43.42 40.51 1wfg n LEU 50 CO 0.12 -0.48 0.07 0.61 -1.22 0.00 0.00 177.39 176.49 1wfg n GLY 51 N -1.11 0.25 3.42 -0.72 0.00 -1.26 -1.50 105.19 104.26 1wfg n GLY 51 Ca 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.62 -0.27 0.03 0.99 0.05 -1.02 0.21 118.68 115.06 1wfg s LEU 52 Ca 0.12 0.19 0.07 0.00 0.05 0.00 0.00 54.13 54.56 1wfg s LEU 52 Cb -0.05 2.30 -0.03 0.00 -2.05 0.00 0.00 46.19 46.35 1wfg s LEU 52 CO 0.29 -0.77 -0.17 -0.75 -0.55 0.00 0.00 176.35 174.39 1wfg s LYS 53 N -2.66 2.13 0.01 1.48 2.36 -0.50 -4.88 119.74 117.68 1wfg s LYS 53 Ca -0.04 -0.95 0.02 0.00 -2.55 0.00 0.00 55.97 52.45 1wfg s LYS 53 Cb -0.00 -2.21 -0.01 0.00 -1.05 0.00 0.00 37.83 34.55 1wfg s LYS 53 CO -0.03 0.55 -0.08 0.08 1.55 0.00 0.00 175.35 177.42 1wfg s VAL 54 N -0.91 0.58 -0.23 4.02 1.01 -1.26 -2.71 120.40 120.90 1wfg s VAL 54 Ca 0.15 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1wfg s VAL 54 Cb -0.11 -0.54 0.06 0.00 0.00 0.00 0.00 36.38 35.79 1wfg s VAL 54 CO 0.05 -0.02 -0.07 0.54 0.00 0.00 0.00 175.10 175.59 1wfg s VAL 55 N -0.58 1.65 0.29 2.92 0.11 -0.49 -4.92 120.40 119.39 1wfg s VAL 55 Ca -0.01 -1.24 0.04 0.00 -2.93 0.00 0.00 61.98 57.84 1wfg s VAL 55 Cb -0.05 -1.85 0.05 0.00 -1.53 0.00 0.00 36.38 33.00 1wfg s VAL 55 CO 0.00 -0.03 0.40 0.61 -3.33 0.00 0.00 175.10 172.76 1wfg n GLY 56 N 4.64 1.70 2.69 6.54 0.00 -1.26 -1.06 105.19 118.43 1wfg n GLY 56 Ca -0.13 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.66 1wfg n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfg n GLY 57 N 1.56 0.83 3.65 -0.02 0.00 -1.08 -3.35 105.19 106.79 1wfg n GLY 57 Ca 0.08 0.00 -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 -2.63 4.14 -0.38 1.61 2.20 -1.23 -4.63 119.74 118.81 1wfg s LYS 58 Ca 0.00 1.83 -0.29 0.00 -0.36 0.00 0.00 55.97 57.15 1wfg s LYS 58 Cb 0.00 -3.89 0.01 0.00 -1.51 0.00 0.00 37.83 32.44 1wfg s LYS 58 CO 0.00 -0.86 1.28 1.41 -0.36 0.00 0.00 175.35 176.82 1wfg s MET 59 N 3.89 3.78 0.00 4.03 1.75 -1.26 -3.11 119.30 128.38 1wfg s MET 59 Ca 0.64 0.98 0.00 0.00 -1.25 0.00 0.00 55.69 56.06 1wfg s MET 59 Cb -0.26 -3.92 0.00 0.00 2.84 0.00 0.00 34.83 33.49 1wfg s MET 59 CO 0.22 -1.30 0.00 0.25 -0.65 0.00 0.00 175.02 173.55 1wfg n THR 60 N 6.59 0.00 1.11 10.11 -2.24 -0.52 -4.95 114.28 124.38 1wfg n THR 60 Ca 0.14 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 1wfg n THR 60 Cb 0.48 -1.83 0.37 0.00 -2.10 0.00 0.00 70.33 67.24 1wfg n THR 60 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wfg n GLU 61 N -0.64 0.30 0.00 -0.78 0.28 -1.26 -3.36 120.64 115.18 1wfg n GLU 61 Ca 0.00 -0.15 0.11 0.00 -0.16 0.00 0.00 57.16 56.96 1wfg n GLU 61 Cb 0.00 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 31.45 1wfg n GLU 61 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1wfg n SER 62 N -1.22 1.93 0.00 -1.84 7.64 -1.26 -4.93 113.62 113.94 1wfg n SER 62 Ca 0.08 -1.45 0.00 0.00 1.01 0.00 0.00 58.87 58.51 1wfg n SER 62 Cb 0.33 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 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 1.40 0.66 3.96 0.23 0.00 -1.21 -5.04 105.19 105.19 1wfg n GLY 63 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.21 3.44 -0.01 1.61 1.81 -1.26 -4.83 118.95 119.51 1wfg s ARG 64 Ca 0.00 -0.69 0.01 0.00 -1.72 0.00 0.00 55.73 53.33 1wfg s ARG 64 Cb 0.00 -2.90 -0.04 0.00 -0.45 0.00 0.00 34.95 31.56 1wfg s ARG 64 CO 0.00 0.45 0.00 -0.51 -0.68 0.00 0.00 175.30 174.56 1wfg s LEU 65 N -3.76 3.54 0.01 2.53 1.43 -1.26 -1.44 118.68 119.72 1wfg s LEU 65 Ca 0.34 0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 53.19 1wfg s LEU 65 Cb -0.10 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.18 1wfg s LEU 65 CO 0.29 0.29 0.61 0.00 0.23 0.00 0.00 176.35 177.77 1wfg s ALA 67 N -1.86 3.45 -0.02 0.00 0.00 -1.26 -3.56 121.76 118.51 1wfg s ALA 67 Ca -0.08 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1wfg s ALA 67 Cb -0.01 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1wfg s ALA 67 CO 0.04 0.16 -0.16 -0.06 0.00 0.00 0.00 175.76 175.73 1wfg s PHE 68 N -0.27 1.52 -0.05 0.00 0.08 -0.22 -2.31 117.98 116.73 1wfg s PHE 68 Ca 0.34 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.74 1wfg s PHE 68 Cb -0.19 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 1wfg s PHE 68 CO 0.20 -0.08 1.24 0.42 -0.10 0.00 0.00 175.22 176.90 1wfg s ILE 69 N -0.20 4.16 -0.21 0.64 1.01 -1.02 -1.39 121.20 124.18 1wfg s ILE 69 Ca 0.02 1.49 -0.11 0.00 0.00 0.00 0.00 60.65 62.05 1wfg s ILE 69 Cb -0.08 -3.96 -0.19 0.00 0.01 0.00 0.00 42.46 38.24 1wfg s ILE 69 CO 0.00 -0.01 0.05 0.35 0.00 0.00 0.00 174.94 175.33 1wfg n THR 70 N 4.68 1.60 -3.72 2.92 -2.24 -1.10 -1.50 114.28 114.93 1wfg n THR 70 Ca 0.12 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 1wfg n THR 70 Cb 0.46 -1.79 -0.07 0.00 -2.10 0.00 0.00 70.33 66.83 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 -2.48 0.88 -0.05 -0.78 2.20 -1.26 -4.67 119.74 113.58 1wfg s LYS 71 Ca -0.30 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 54.80 1wfg s LYS 71 Cb 0.09 0.38 0.01 0.00 -1.51 0.00 0.00 37.83 36.81 1wfg s LYS 71 CO 0.62 -0.30 -0.09 0.08 -0.36 0.00 0.00 175.35 175.31 1wfg s VAL 72 N -2.79 0.86 -0.17 4.02 1.01 -1.26 -1.41 120.40 120.65 1wfg s VAL 72 Ca -0.03 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1wfg s VAL 72 Cb -0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1wfg s VAL 72 CO -0.05 0.29 2.09 -0.75 0.00 0.00 0.00 175.10 176.68 1wfg s LYS 73 N 0.68 3.40 -0.48 2.72 2.47 0.56 -4.87 119.74 124.22 1wfg s LYS 73 Ca -0.12 2.08 -0.27 0.00 -1.56 0.00 0.00 55.97 56.10 1wfg s LYS 73 Cb -0.14 -4.29 -0.02 0.00 -1.46 0.00 0.00 37.83 31.91 1wfg s LYS 73 CO 0.02 -1.79 1.84 0.21 0.16 0.00 0.00 175.35 175.79 1wfg s LYS 74 N 5.78 2.93 0.00 4.03 2.20 -1.26 -2.64 119.74 130.78 1wfg s LYS 74 Ca 0.94 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 1wfg s LYS 74 Cb -0.34 -4.30 0.00 0.00 -1.51 0.00 0.00 37.83 31.68 1wfg s LYS 74 CO 0.36 -2.35 0.00 0.41 -0.36 0.00 0.00 175.35 173.41 1wfg n GLY 75 N 5.57 0.74 3.21 5.54 0.00 -1.26 -5.11 105.19 113.88 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 -1.38 0.28 0.06 1.61 0.01 -1.08 -4.94 113.70 108.27 1wfg s SER 76 Ca 0.00 -1.40 -0.14 0.00 1.31 0.00 0.00 55.95 55.72 1wfg s SER 76 Cb 0.00 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 1wfg s SER 76 CO 0.00 -0.84 1.24 -0.07 0.41 0.00 0.00 173.24 173.99 1wfg h LEU 77 N 2.59 -0.89 -5.53 2.44 3.38 -1.89 1.38 115.31 116.80 1wfg h LEU 77 Ca -0.36 0.12 -0.46 0.00 0.09 0.00 0.00 57.88 57.27 1wfg h LEU 77 Cb 1.25 0.37 0.02 0.00 0.09 0.00 0.00 40.66 42.39 1wfg h LEU 77 CO 0.53 -0.15 2.77 0.00 0.09 0.00 0.00 178.44 181.68 1wfg n ALA 78 N -2.96 4.96 0.00 1.53 0.00 -0.57 -1.32 120.51 122.16 1wfg n ALA 78 Ca -0.01 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 51.00 1wfg n ALA 78 Cb 0.14 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.44 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 4.59 0.00 0.02 0.00 -0.08 -0.48 -4.25 116.55 116.37 1wfg n ASP 79 Ca 0.50 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.56 1wfg n ASP 79 Cb 0.19 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.51 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 0.85 0.00 5.18 1.35 0.23 -2.86 112.91 117.66 1wfg h THR 80 Ca 0.00 -2.41 -0.32 0.00 -0.55 0.00 0.00 66.41 63.14 1wfg h THR 80 Cb 0.00 2.63 -0.06 0.00 -1.73 0.00 0.00 68.15 69.00 1wfg h THR 80 CO 0.00 0.81 -2.20 1.33 -0.25 0.00 0.00 175.52 175.21 1wfg n VAL 81 N -3.68 1.21 0.11 6.82 0.24 -0.43 -4.53 118.33 118.06 1wfg n VAL 81 Ca -0.28 -0.53 -0.18 0.00 -2.04 0.00 0.00 64.34 61.31 1wfg n VAL 81 Cb 1.00 -1.07 -0.14 0.00 -1.47 0.00 0.00 33.84 32.15 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 2.08 0.38 -0.67 7.63 0.00 -1.48 -3.45 103.07 107.56 1wfg h GLY 82 Ca -0.47 -0.98 -0.29 0.00 0.00 0.00 0.00 47.33 45.59 1wfg h GLY 82 CO -0.05 0.86 -0.26 1.42 0.00 0.00 0.00 176.54 178.51 1wfg n HIS 83 N -3.57 0.00 -0.52 5.60 -0.00 -1.08 -4.77 115.22 110.88 1wfg n HIS 83 Ca -0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.32 1wfg n HIS 83 Cb 1.05 -2.67 0.24 0.00 -0.00 0.00 0.00 29.99 28.61 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 -1.61 -0.37 -3.64 2.41 4.77 -1.26 -4.88 117.00 112.42 1wfg n LEU 84 Ca -0.14 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 1wfg n LEU 84 Cb 0.52 -1.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.25 1wfg n LEU 84 CO 0.21 -3.04 0.15 -0.13 -1.33 0.00 0.00 177.39 173.26 1wfg s ARG 85 N -4.43 1.03 -0.37 3.23 0.52 -1.26 -4.69 118.95 112.98 1wfg s ARG 85 Ca 0.68 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.97 1wfg s ARG 85 Cb -0.25 0.45 0.01 0.00 0.52 0.00 0.00 34.95 35.68 1wfg s ARG 85 CO 0.64 -0.39 1.39 -1.25 0.02 0.00 0.00 175.30 175.71 1wfg s PRO 86 N -3.48 3.67 0.00 3.54 0.04 -1.26 -3.13 135.00 134.38 1wfg s PRO 86 Ca 0.01 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1wfg s PRO 86 Cb 0.01 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1wfg s PRO 86 CO -0.10 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 175.91 1wfg n GLY 87 N 4.86 0.95 3.65 0.56 0.00 -0.56 -4.95 105.19 109.71 1wfg n GLY 87 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 1.71 -0.27 1.61 1.01 -1.18 -4.80 116.67 114.75 1wfg s ASP 88 Ca 0.00 0.77 -0.00 0.00 0.71 0.00 0.00 52.55 54.03 1wfg s ASP 88 Cb 0.00 -1.14 0.08 0.00 1.01 0.00 0.00 42.92 42.88 1wfg s ASP 88 CO 0.00 -3.65 0.04 -0.70 0.21 0.00 0.00 175.17 171.07 1wfg s GLU 89 N -5.32 0.99 -0.65 8.23 2.12 -1.26 -2.44 118.70 120.37 1wfg s GLU 89 Ca 0.69 -0.99 -0.27 0.00 0.36 0.00 0.00 54.97 54.76 1wfg s GLU 89 Cb -0.12 -2.28 -0.00 0.00 0.26 0.00 0.00 34.13 31.99 1wfg s GLU 89 CO 0.56 -0.82 1.64 0.54 -0.54 0.00 0.00 175.26 176.64 1wfg s VAL 90 N 1.54 3.50 0.03 3.70 0.11 -0.98 -2.57 120.40 125.74 1wfg s VAL 90 Ca 0.04 0.29 -0.28 0.00 -2.93 0.00 0.00 61.98 59.11 1wfg s VAL 90 Cb -0.18 -4.31 -0.15 0.00 -1.53 0.00 0.00 36.38 30.21 1wfg s VAL 90 CO -0.15 -1.26 1.27 -0.07 -3.33 0.00 0.00 175.10 171.57 1wfg h LEU 91 N 15.08 -0.84-10.12 2.54 -0.00 0.44 -3.37 115.31 119.04 1wfg h LEU 91 Ca -0.27 0.03 -0.59 0.00 -0.00 0.00 0.00 57.88 57.05 1wfg h LEU 91 Cb 1.12 0.22 -0.08 0.00 -0.00 0.00 0.00 40.66 41.92 1wfg h LEU 91 CO 1.24 -0.54 -0.42 -1.61 -0.00 0.00 0.00 178.44 177.11 1wfg s GLU 92 N -4.95 2.24 -0.34 1.13 8.01 -0.62 -0.53 118.70 123.65 1wfg s GLU 92 Ca -0.14 -2.01 0.03 0.00 0.01 0.00 0.00 54.97 52.85 1wfg s GLU 92 Cb 0.01 -1.96 0.16 0.00 -4.31 0.00 0.00 34.13 28.04 1wfg s GLU 92 CO 0.43 -0.37 0.41 -0.46 0.01 0.00 0.00 175.26 175.29 1wfg s TRP 93 N -2.72 -0.73 -0.45 1.61 -0.11 0.23 -2.92 118.94 113.85 1wfg s TRP 93 Ca 0.32 -0.23 0.00 0.00 1.22 0.00 0.00 56.10 57.40 1wfg s TRP 93 Cb 0.01 -0.24 0.00 0.00 -1.50 0.00 0.00 33.47 31.74 1wfg s TRP 93 CO 0.18 -1.00 0.00 -1.71 -4.62 0.00 0.00 176.95 169.81 1wfg n ASN 94 N 4.76 -3.89 0.00 5.86 2.85 0.63 -2.14 115.26 123.34 1wfg n ASN 94 Ca 0.06 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.64 1wfg n ASN 94 Cb 0.48 -1.76 0.00 0.00 1.24 0.00 0.00 39.78 39.74 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 -1.97 0.62 3.67 8.20 0.00 -1.24 -4.82 105.19 109.64 1wfg n GLY 95 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.61 4.25 0.01 1.61 1.81 -0.91 -5.03 118.95 120.08 1wfg s ARG 96 Ca 0.00 0.59 -0.30 0.00 -1.72 0.00 0.00 55.73 54.30 1wfg s ARG 96 Cb 0.00 -3.54 -0.04 0.00 -0.45 0.00 0.00 34.95 30.91 1wfg s ARG 96 CO 0.00 -0.15 1.17 -1.17 -0.68 0.00 0.00 175.30 174.47 1wfg s LEU 97 N 1.60 4.34 0.06 2.53 2.96 -1.26 0.75 118.68 129.66 1wfg s LEU 97 Ca 0.28 1.90 0.22 0.00 -0.22 0.00 0.00 54.13 56.31 1wfg s LEU 97 Cb -0.16 -3.57 -0.13 0.00 0.50 0.00 0.00 46.19 42.83 1wfg s LEU 97 CO 0.11 -0.47 0.82 0.18 -1.32 0.00 0.00 176.35 175.66 1wfg n LEU 98 N 4.33 0.47 -4.66 -0.68 4.77 0.31 -4.69 117.00 116.85 1wfg n LEU 98 Ca 0.09 0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 1wfg n LEU 98 Cb 0.47 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1wfg n LEU 98 CO 0.55 -0.03 1.53 -1.10 -1.33 0.00 0.00 177.39 177.01 1wfg s GLN 99 N -3.36 4.14 0.00 3.23 -0.21 -1.24 -1.90 119.66 120.32 1wfg s GLN 99 Ca -0.02 2.46 0.00 0.00 0.02 0.00 0.00 55.36 57.82 1wfg s GLN 99 Cb 0.13 -4.11 0.00 0.00 1.00 0.00 0.00 33.01 30.03 1wfg s GLN 99 CO 0.84 -0.94 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 1wfg n GLY 100 N 4.43 2.78 3.72 3.09 0.00 0.96 -4.95 105.19 115.22 1wfg n GLY 100 Ca 0.19 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 1wfg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfg n ALA 101 N 0.00 1.51 -1.55 4.61 0.00 -0.80 -4.69 120.51 119.59 1wfg n ALA 101 Ca 0.00 0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 1wfg n ALA 101 Cb 0.00 -2.31 0.17 0.00 0.00 0.00 0.00 19.45 17.31 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 -1.23 1.90 0.13 0.00 -4.23 -1.26 -2.64 115.64 108.31 1wfg s THR 102 Ca 0.64 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.96 1wfg s THR 102 Cb -0.47 -2.77 -0.05 0.00 1.34 0.00 0.00 72.50 70.55 1wfg s THR 102 CO 0.56 0.00 1.76 0.15 -0.54 0.00 0.00 174.62 176.55 1wfg h PHE 103 N -1.79 0.21 -0.76 3.99 3.57 -1.81 0.11 116.94 120.46 1wfg h PHE 103 Ca -0.47 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 1wfg h PHE 103 Cb 1.29 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 1wfg h PHE 103 CO -0.71 0.12 0.44 0.93 -2.23 0.00 0.00 178.31 176.85 1wfg h GLU 104 N 0.24 1.05 0.17 1.11 5.08 -1.93 -1.43 114.58 118.86 1wfg h GLU 104 Ca 0.09 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1wfg h GLU 104 Cb 0.02 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1wfg h GLU 104 CO -0.06 0.76 -0.08 0.93 -1.00 0.00 0.00 179.01 179.56 1wfg h GLU 105 N 1.05 -0.22 -0.78 2.33 5.08 -1.80 0.79 114.58 121.04 1wfg h GLU 105 Ca 0.27 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.78 1wfg h GLU 105 Cb 0.00 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.21 1wfg h GLU 105 CO -0.05 -0.10 0.35 0.28 -1.00 0.00 0.00 179.01 178.50 1wfg h VAL 106 N -0.28 0.72 -0.23 3.13 2.07 -0.54 -0.61 116.25 120.49 1wfg h VAL 106 Ca -0.02 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1wfg h VAL 106 Cb 0.22 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1wfg h VAL 106 CO 0.04 0.10 0.10 0.22 0.02 0.00 0.00 177.57 178.04 1wfg h TYR 107 N 0.53 0.35 -0.89 1.57 5.03 -0.85 -2.03 116.97 120.68 1wfg h TYR 107 Ca 0.42 -0.02 0.22 0.00 2.58 0.00 0.00 58.73 61.93 1wfg h TYR 107 Cb 0.59 -0.11 -0.06 0.00 1.55 0.00 0.00 36.73 38.70 1wfg h TYR 107 CO -0.13 0.37 0.61 -0.91 -1.32 0.00 0.00 178.16 176.78 1wfg h ASN 108 N 0.23 0.26 0.14 -2.11 2.35 0.65 1.42 115.58 118.52 1wfg h ASN 108 Ca 0.08 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1wfg h ASN 108 Cb 0.16 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1wfg h ASN 108 CO -0.01 0.10 -0.07 0.40 -1.65 0.00 0.00 177.43 176.20 1wfg h ILE 109 N 0.26 1.02 -0.59 2.81 2.04 -0.62 0.76 117.51 123.18 1wfg h ILE 109 Ca 0.45 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1wfg h ILE 109 Cb 1.36 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.97 1wfg h ILE 109 CO -0.12 0.21 0.20 0.40 0.00 0.00 0.00 178.15 178.83 1wfg h ILE 110 N -0.64 1.22 -0.06 -0.67 2.04 -0.33 0.19 117.51 119.27 1wfg h ILE 110 Ca -0.02 -0.76 -0.14 0.00 1.00 0.00 0.00 64.86 64.94 1wfg h ILE 110 Cb 0.48 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1wfg h ILE 110 CO 0.03 0.29 -0.60 0.25 0.00 0.00 0.00 178.15 178.12 1wfg h LEU 111 N 0.87 0.24 -0.61 1.44 7.12 0.19 -2.70 115.31 121.86 1wfg h LEU 111 Ca 0.20 -0.14 -0.05 0.00 0.13 0.00 0.00 57.88 58.02 1wfg h LEU 111 Cb 0.24 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.29 1wfg h LEU 111 CO -0.01 0.79 -0.23 -0.33 -0.13 0.00 0.00 178.44 178.53 1wfg h GLU 112 N 0.16 0.00 -0.84 1.25 4.39 0.15 -2.87 114.58 116.82 1wfg h GLU 112 Ca -0.01 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1wfg h GLU 112 Cb 1.10 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.65 1wfg h GLU 112 CO 0.09 0.23 0.23 0.43 -1.16 0.00 0.00 179.01 178.83 1wfg n SER 113 N -3.25 4.02 -0.03 1.42 7.64 0.59 -4.25 113.62 119.75 1wfg n SER 113 Ca 0.02 -2.91 -0.14 0.00 1.01 0.00 0.00 58.87 56.85 1wfg n SER 113 Cb 0.52 -0.69 -0.10 0.00 -1.01 0.00 0.00 64.21 62.93 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 1.87 0.16 0.00 1.43 1.57 -1.47 -3.02 116.57 117.11 1wfg h LYS 114 Ca 0.22 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1wfg h LYS 114 Cb 1.95 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.28 1wfg h LYS 114 CO 0.57 0.75 0.00 -0.35 -0.57 0.00 0.00 179.45 179.85 1wfg n PRO 115 N -4.63 0.41 -2.37 3.15 -0.04 -1.26 -4.79 135.00 125.47 1wfg n PRO 115 Ca -0.08 0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 63.02 1wfg n PRO 115 Cb 0.39 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 1wfg n PRO 115 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1wfg s GLU 116 N -2.46 4.49 0.15 0.54 2.02 -1.14 -4.94 118.70 117.37 1wfg s GLU 116 Ca 0.24 1.88 -0.02 0.00 0.02 0.00 0.00 54.97 57.09 1wfg s GLU 116 Cb 0.15 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 31.13 1wfg s GLU 116 CO 0.33 -0.09 1.37 -1.00 0.02 0.00 0.00 175.26 175.89 1wfg h PRO 117 N 5.24 0.37 -5.36 0.39 0.13 -1.87 -3.47 132.00 127.43 1wfg h PRO 117 Ca -0.45 -0.36 -0.62 0.00 -0.87 0.00 0.00 66.00 63.71 1wfg h PRO 117 Cb 1.21 0.09 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 1wfg h PRO 117 CO 0.75 1.02 -0.56 -0.65 -0.23 0.00 0.00 178.00 178.33 1wfg s GLN 118 N -3.40 2.00 -0.28 0.86 -0.21 -1.26 -0.55 119.66 116.83 1wfg s GLN 118 Ca -0.05 -2.20 0.01 0.00 0.02 0.00 0.00 55.36 53.14 1wfg s GLN 118 Cb 0.10 -1.38 0.17 0.00 1.00 0.00 0.00 33.01 32.90 1wfg s GLN 118 CO 0.85 -0.24 0.48 0.08 -2.12 0.00 0.00 175.29 174.34 1wfg s VAL 119 N -2.91 -0.78 -0.48 1.09 1.01 0.15 -4.92 120.40 113.57 1wfg s VAL 119 Ca 0.23 -0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 1wfg s VAL 119 Cb 0.06 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.52 1wfg s VAL 119 CO 0.12 -0.13 0.67 -0.70 0.00 0.00 0.00 175.10 175.05 1wfg s GLU 120 N 2.67 3.22 0.41 2.72 2.12 -1.26 -0.38 118.70 128.20 1wfg s GLU 120 Ca 0.12 -0.55 -0.00 0.00 0.36 0.00 0.00 54.97 54.90 1wfg s GLU 120 Cb -0.13 -4.02 -0.02 0.00 0.26 0.00 0.00 34.13 30.23 1wfg s GLU 120 CO -0.25 -1.14 0.63 -0.51 -0.54 0.00 0.00 175.26 173.46 1wfg s LEU 121 N 2.87 3.80 -0.21 2.70 1.43 0.53 0.23 118.68 130.03 1wfg s LEU 121 Ca 0.21 0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 53.67 1wfg s LEU 121 Cb -0.16 -3.28 0.10 0.00 0.03 0.00 0.00 46.19 42.88 1wfg s LEU 121 CO 0.16 -0.52 0.29 -0.69 0.23 0.00 0.00 176.35 175.82 1wfg s VAL 122 N -2.47 -0.44 0.27 -1.59 1.01 -1.15 -1.80 120.40 114.24 1wfg s VAL 122 Ca 0.45 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.48 1wfg s VAL 122 Cb -0.10 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1wfg s VAL 122 CO 0.38 -0.13 0.05 0.54 0.00 0.00 0.00 175.10 175.94 1wfg s VAL 123 N 2.42 3.56 -0.21 2.92 0.11 0.26 0.30 120.40 129.77 1wfg s VAL 123 Ca 0.08 -1.79 -0.04 0.00 -2.93 0.00 0.00 61.98 57.29 1wfg s VAL 123 Cb -0.15 -2.96 0.08 0.00 -1.53 0.00 0.00 36.38 31.82 1wfg s VAL 123 CO -0.13 -0.34 0.12 -0.55 -3.33 0.00 0.00 175.10 170.87 1wfg s SER 124 N -3.73 2.48 0.35 3.54 0.15 -1.06 -0.27 113.70 115.15 1wfg s SER 124 Ca 0.33 -0.73 0.08 0.00 0.70 0.00 0.00 55.95 56.33 1wfg s SER 124 Cb -0.06 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 1wfg s SER 124 CO 0.21 -0.37 0.13 0.00 1.20 0.00 0.00 173.24 174.41 1wfg s ARG 125 N 2.16 2.33 -0.33 5.44 1.70 0.13 -4.68 118.95 125.70 1wfg s ARG 125 Ca 0.05 -1.59 -0.19 0.00 -0.47 0.00 0.00 55.73 53.53 1wfg s ARG 125 Cb -0.16 -2.13 -0.01 0.00 -0.57 0.00 0.00 34.95 32.08 1wfg s ARG 125 CO -0.17 0.09 0.56 -1.54 -1.08 0.00 0.00 175.30 173.16 1wfg s SER 126 N -3.84 6.38 0.53 -2.89 1.04 -1.26 0.13 113.70 113.80 1wfg s SER 126 Ca 0.38 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1wfg s SER 126 Cb -0.02 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1wfg s SER 126 CO 0.22 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1wfg n GLY 127 N 4.65 -3.74 3.70 7.32 0.00 -0.36 -4.79 105.19 111.98 1wfg n GLY 127 Ca -0.03 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 -4.92 4.41 0.25 1.61 0.04 -1.26 -4.71 135.00 130.42 1wfg s PRO 128 Ca 0.00 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 1wfg s PRO 128 Cb 0.00 -3.45 -0.14 0.00 0.04 0.00 0.00 34.50 30.95 1wfg s PRO 128 CO 0.00 -0.33 1.13 0.45 0.04 0.00 0.00 177.00 178.30 1wfg n SER 129 N 4.48 1.63 -4.58 6.66 2.88 -1.26 -4.82 113.62 118.61 1wfg n SER 129 Ca 0.10 1.16 -0.41 0.00 -1.33 0.00 0.00 58.87 58.39 1wfg n SER 129 Cb 0.47 -1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 62.60 1wfg n SER 129 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfg s SER 130 N -0.25 5.73 0.00 -3.46 0.01 -1.26 -5.27 113.70 109.20 1wfg s SER 130 Ca 0.64 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.67 1wfg s SER 130 Cb -0.73 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 62.97 1wfg s SER 130 CO 0.56 -1.94 0.22 0.61 0.41 0.00 0.00 173.24 173.11