#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfg s SER 2 N 0.00 -0.80 0.24 1.61 1.04 -1.26 -5.14 113.70 109.40 1wfg s SER 2 Ca 0.00 1.31 -0.30 0.00 0.48 0.00 0.00 55.95 57.44 1wfg s SER 2 Cb 0.00 1.34 -0.15 0.00 0.10 0.00 0.00 66.02 67.32 1wfg s SER 2 CO 0.00 -0.22 1.09 -1.54 0.98 0.00 0.00 173.24 173.54 1wfg n SER 3 N 4.56 1.38 0.00 7.02 3.41 -1.26 -3.97 113.62 124.76 1wfg n SER 3 Ca -0.19 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 1wfg n SER 3 Cb 0.56 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1wfg n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfg n GLY 4 N 1.60 2.07 3.48 5.00 0.00 -1.26 -5.02 105.19 111.06 1wfg n GLY 4 Ca 0.12 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1wfg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 5 N 0.00 6.96 -0.92 1.61 0.01 -1.25 -4.94 113.70 115.16 1wfg s SER 5 Ca 0.00 -2.73 -0.24 0.00 1.31 0.00 0.00 55.95 54.29 1wfg s SER 5 Cb 0.00 -2.44 0.04 0.00 0.21 0.00 0.00 66.02 63.83 1wfg s SER 5 CO 0.00 -0.88 1.41 -0.55 0.41 0.00 0.00 173.24 173.63 1wfg s SER 6 N 3.23 6.33 -0.09 2.44 0.15 -1.26 -4.97 113.70 119.54 1wfg s SER 6 Ca 0.43 -1.06 -0.30 0.00 0.70 0.00 0.00 55.95 55.72 1wfg s SER 6 Cb -0.02 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1wfg s SER 6 CO -0.00 -1.67 1.22 -0.83 1.20 0.00 0.00 173.24 173.16 1wfg s GLY 7 N 4.69 1.97 -0.19 9.45 0.00 -1.26 -5.01 107.32 116.97 1wfg s GLY 7 Ca 0.43 0.58 -0.12 0.00 0.00 0.00 0.00 44.72 45.61 1wfg s GLY 7 CO -0.01 2.29 0.22 0.30 0.00 0.00 0.00 173.10 175.90 1wfg s HIS 8 N 2.56 3.41 0.00 1.90 0.09 -1.26 -4.69 115.29 117.30 1wfg s HIS 8 Ca 0.55 0.44 0.00 0.00 -0.00 0.00 0.00 55.06 56.05 1wfg s HIS 8 Cb -0.24 -2.28 0.00 0.00 -0.00 0.00 0.00 32.58 30.06 1wfg s HIS 8 CO 0.20 0.21 0.00 0.45 -0.00 0.00 0.00 174.74 175.60 1wfg n SER 9 N 3.74 0.00 -1.01 1.40 2.88 -1.26 -4.89 113.62 114.48 1wfg n SER 9 Ca -0.14 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.54 1wfg n SER 9 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 1wfg n SER 9 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1wfg n HIS 10 N 0.00 -2.54 -3.74 0.66 -0.00 -1.26 -4.92 115.22 103.43 1wfg n HIS 10 Ca 0.00 1.28 -0.23 0.00 0.46 0.00 0.00 57.72 59.23 1wfg n HIS 10 Cb 0.00 -2.31 0.00 0.00 -0.12 0.00 0.00 29.99 27.56 1wfg n HIS 10 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1wfg n SER 11 N -3.37 -5.08 -4.08 0.26 3.41 -1.26 -4.87 113.62 98.63 1wfg n SER 11 Ca -0.00 -0.90 -0.40 0.00 -0.26 0.00 0.00 58.87 57.31 1wfg n SER 11 Cb 0.46 -1.97 -0.02 0.00 -0.26 0.00 0.00 64.21 62.42 1wfg n SER 11 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1wfg n ASP 12 N -2.56 5.23 0.00 4.04 5.75 -1.26 -4.84 116.55 122.92 1wfg n ASP 12 Ca -0.30 -3.22 0.00 0.00 -0.01 0.00 0.00 54.79 51.26 1wfg n ASP 12 Cb 0.68 -1.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 1wfg n ASP 12 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1wfg n LYS 13 N 1.97 0.00 -1.64 0.11 5.02 -1.26 -5.05 118.16 117.31 1wfg n LYS 13 Ca 0.25 0.00 -0.62 0.00 -2.02 0.00 0.00 58.31 55.92 1wfg n LYS 13 Cb 0.37 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.29 1wfg n LYS 13 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1wfg n HIS 14 N 0.00 1.76 0.06 2.13 1.44 -1.26 -4.81 115.22 114.54 1wfg n HIS 14 Ca 0.00 0.80 -0.11 0.00 -2.01 0.00 0.00 57.72 56.40 1wfg n HIS 14 Cb 0.00 -2.35 -0.01 0.00 0.12 0.00 0.00 29.99 27.75 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 7.00 0.37 -6.11 -1.40 0.13 -1.97 -3.44 132.00 126.59 1wfg h PRO 15 Ca -0.38 -0.36 -0.67 0.00 -0.87 0.00 0.00 66.00 63.72 1wfg h PRO 15 Cb 1.36 0.09 -0.14 0.00 0.13 0.00 0.00 31.00 32.44 1wfg h PRO 15 CO 0.99 1.03 -0.64 0.14 -0.23 0.00 0.00 178.00 179.29 1wfg s VAL 16 N -3.39 4.20 -0.14 1.56 -7.23 -1.26 -2.98 120.40 111.15 1wfg s VAL 16 Ca -0.05 -0.52 -0.06 0.00 -1.81 0.00 0.00 61.98 59.54 1wfg s VAL 16 Cb 0.10 -2.85 0.06 0.00 0.56 0.00 0.00 36.38 34.25 1wfg s VAL 16 CO 0.85 0.43 0.32 0.42 -0.31 0.00 0.00 175.10 176.81 1wfg s THR 17 N -1.04 -0.22 -0.31 5.32 -4.23 -0.82 -4.95 115.64 109.39 1wfg s THR 17 Ca 0.18 0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.84 1wfg s THR 17 Cb -0.11 -0.50 0.05 0.00 1.34 0.00 0.00 72.50 73.28 1wfg s THR 17 CO 0.08 0.07 0.02 0.26 -0.54 0.00 0.00 174.62 174.52 1wfg s TRP 18 N 1.78 3.28 0.04 3.99 0.52 -1.26 0.76 118.94 128.06 1wfg s TRP 18 Ca -0.06 -1.86 0.02 0.00 0.02 0.00 0.00 56.10 54.22 1wfg s TRP 18 Cb -0.10 -2.19 -0.02 0.00 -1.15 0.00 0.00 33.47 30.00 1wfg s TRP 18 CO -0.10 -0.81 -0.07 -0.65 0.02 0.00 0.00 176.95 175.34 1wfg s GLN 19 N 1.26 0.52 0.64 4.98 1.11 0.21 -4.98 119.66 123.40 1wfg s GLN 19 Ca -0.04 -0.77 -0.13 0.00 0.01 0.00 0.00 55.36 54.43 1wfg s GLN 19 Cb -0.20 -0.24 -0.01 0.00 -1.01 0.00 0.00 33.01 31.55 1wfg s GLN 19 CO -0.01 0.03 1.05 -1.25 0.01 0.00 0.00 175.29 175.13 1wfg s PRO 20 N -1.70 3.15 0.95 2.91 0.04 -1.26 0.19 135.00 139.28 1wfg s PRO 20 Ca -0.09 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.85 1wfg s PRO 20 Cb -0.09 -2.01 0.17 0.00 0.04 0.00 0.00 34.50 32.61 1wfg s PRO 20 CO -0.00 -0.94 1.21 0.45 0.04 0.00 0.00 177.00 177.76 1wfg s SER 21 N -3.36 3.17 0.19 6.66 0.15 0.02 -4.66 113.70 115.87 1wfg s SER 21 Ca 0.60 0.61 -0.22 0.00 0.70 0.00 0.00 55.95 57.64 1wfg s SER 21 Cb -0.15 -0.91 0.11 0.00 -1.71 0.00 0.00 66.02 63.37 1wfg s SER 21 CO 0.47 -2.73 1.57 0.11 1.20 0.00 0.00 173.24 173.86 1wfg h LYS 22 N -1.63 -0.14 0.55 5.44 1.57 -1.97 -0.83 116.57 119.57 1wfg h LYS 22 Ca -0.46 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1wfg h LYS 22 Cb 1.29 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.64 1wfg h LYS 22 CO 0.49 -0.09 -0.27 0.22 -0.57 0.00 0.00 179.45 179.24 1wfg h ASP 23 N -0.14 -0.63 0.00 0.86 1.82 -1.93 -3.48 116.42 112.92 1wfg h ASP 23 Ca 0.23 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1wfg h ASP 23 Cb 0.56 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.73 1wfg h ASP 23 CO -0.76 -0.37 0.00 0.61 -1.61 0.00 0.00 179.24 177.11 1wfg n GLY 24 N -1.10 2.22 0.43 -0.78 0.00 -0.32 -4.92 105.19 100.72 1wfg n GLY 24 Ca -0.12 -0.74 0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 0.33 -3.10 1.61 5.19 -1.92 -3.40 116.42 117.13 1wfg h ASP 25 Ca 0.00 0.06 -0.57 0.00 -0.62 0.00 0.00 57.03 55.90 1wfg h ASP 25 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1wfg h ASP 25 CO 0.00 0.07 -0.32 -0.13 -3.12 0.00 0.00 179.24 175.75 1wfg s ARG 26 N -5.35 3.59 -0.22 3.56 1.81 -1.26 0.16 118.95 121.24 1wfg s ARG 26 Ca -0.08 -0.15 0.02 0.00 -1.72 0.00 0.00 55.73 53.80 1wfg s ARG 26 Cb 0.24 -2.85 0.04 0.00 -0.45 0.00 0.00 34.95 31.93 1wfg s ARG 26 CO 0.80 0.45 -0.15 -1.17 -0.68 0.00 0.00 175.30 174.55 1wfg s LEU 27 N -2.81 2.82 -0.30 2.53 1.98 0.35 -0.80 118.68 122.45 1wfg s LEU 27 Ca 0.40 -1.01 -0.20 0.00 -2.89 0.00 0.00 54.13 50.43 1wfg s LEU 27 Cb -0.12 -1.53 -0.01 0.00 0.66 0.00 0.00 46.19 45.20 1wfg s LEU 27 CO 0.26 -0.10 0.63 -0.63 -1.89 0.00 0.00 176.35 174.62 1wfg s ILE 28 N 1.20 4.94 -0.05 6.68 -1.09 0.51 -0.96 121.20 132.42 1wfg s ILE 28 Ca -0.02 0.90 0.03 0.00 -2.23 0.00 0.00 60.65 59.33 1wfg s ILE 28 Cb -0.17 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1wfg s ILE 28 CO -0.09 -0.12 -0.13 -0.83 -1.23 0.00 0.00 174.94 172.54 1wfg s GLY 29 N 1.62 1.56 -0.02 6.18 0.00 0.46 0.64 107.32 117.77 1wfg s GLY 29 Ca 0.25 -0.96 0.07 0.00 0.00 0.00 0.00 44.72 44.09 1wfg s GLY 29 CO 0.11 -0.75 -0.24 -1.60 0.00 0.00 0.00 173.10 170.63 1wfg s ARG 30 N -0.74 1.97 -0.16 2.90 3.52 0.23 0.13 118.95 126.79 1wfg s ARG 30 Ca 0.12 -0.87 -0.04 0.00 -0.13 0.00 0.00 55.73 54.81 1wfg s ARG 30 Cb -0.11 -1.90 0.06 0.00 -1.56 0.00 0.00 34.95 31.44 1wfg s ARG 30 CO 0.01 0.52 0.06 0.42 -0.81 0.00 0.00 175.30 175.50 1wfg s ILE 31 N -0.56 0.17 -0.07 4.11 1.09 -0.18 -1.94 121.20 123.82 1wfg s ILE 31 Ca 0.09 -0.26 0.03 0.00 -1.10 0.00 0.00 60.65 59.41 1wfg s ILE 31 Cb -0.09 -0.72 -0.02 0.00 -1.06 0.00 0.00 42.46 40.56 1wfg s ILE 31 CO -0.01 -0.19 -0.14 -0.22 -0.10 0.00 0.00 174.94 174.28 1wfg s LEU 32 N 2.02 2.74 0.06 2.97 1.98 -1.16 0.20 118.68 127.48 1wfg s LEU 32 Ca 0.01 -0.23 0.08 0.00 -2.89 0.00 0.00 54.13 51.10 1wfg s LEU 32 Cb -0.16 -1.57 -0.03 0.00 0.66 0.00 0.00 46.19 45.09 1wfg s LEU 32 CO -0.08 0.30 -0.21 -0.76 -1.89 0.00 0.00 176.35 173.70 1wfg s LEU 33 N -0.43 2.20 0.05 -0.68 2.01 0.13 -4.66 118.68 117.30 1wfg s LEU 33 Ca 0.05 -0.57 0.09 0.00 0.01 0.00 0.00 54.13 53.71 1wfg s LEU 33 Cb -0.12 -0.99 -0.03 0.00 0.01 0.00 0.00 46.19 45.06 1wfg s LEU 33 CO 0.02 0.15 -0.25 0.21 1.01 0.00 0.00 176.35 177.49 1wfg s ASN 34 N -1.35 2.99 -0.11 2.29 2.47 -1.26 -0.08 114.94 119.89 1wfg s ASN 34 Ca 0.08 -0.59 -0.05 0.00 0.42 0.00 0.00 52.86 52.73 1wfg s ASN 34 Cb -0.09 -0.26 -0.05 0.00 -1.45 0.00 0.00 41.25 39.40 1wfg s ASN 34 CO 0.02 0.22 -0.14 0.29 -3.72 0.00 0.00 177.10 173.78 1wfg n LYS 35 N 1.72 0.24 -1.18 0.43 5.02 0.60 -4.99 118.16 120.01 1wfg n LYS 35 Ca -0.17 0.10 -0.50 0.00 -2.02 0.00 0.00 58.31 55.71 1wfg n LYS 35 Cb 0.52 -0.94 -0.09 0.00 -0.02 0.00 0.00 35.03 34.51 1wfg n LYS 35 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wfg n ARG 36 N -3.40 0.00 0.00 1.97 1.74 -1.25 -4.50 116.66 111.22 1wfg n ARG 36 Ca -0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 1wfg n ARG 36 Cb 0.66 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 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 4.57 0.00 -0.23 0.55 4.77 -1.13 -4.61 117.00 120.92 1wfg n LEU 37 Ca 0.34 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.34 1wfg n LEU 37 Cb -0.04 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.31 1wfg n LEU 37 CO 0.70 -1.26 1.24 0.50 -1.33 0.00 0.00 177.39 177.24 1wfg h LYS 38 N 0.00 0.95 -0.56 3.23 3.64 -1.92 -1.25 116.57 120.66 1wfg h LYS 38 Ca 0.00 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1wfg h LYS 38 Cb 0.00 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 1wfg h LYS 38 CO 0.00 0.63 0.28 -0.44 -2.27 0.00 0.00 179.45 177.65 1wfg h ASP 39 N 0.98 0.72 0.00 4.20 3.32 -1.99 -3.47 116.42 120.17 1wfg h ASP 39 Ca 0.31 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1wfg h ASP 39 Cb 0.02 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1wfg h ASP 39 CO -0.09 0.63 0.00 0.61 -1.72 0.00 0.00 179.24 178.68 1wfg n GLY 40 N -0.97 0.70 3.57 2.75 0.00 -0.47 -5.14 105.19 105.63 1wfg n GLY 40 Ca 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.60 -0.90 0.20 1.61 0.01 -1.26 -4.85 113.70 107.90 1wfg s SER 41 Ca 0.00 1.27 -0.33 0.00 1.31 0.00 0.00 55.95 58.20 1wfg s SER 41 Cb 0.00 1.93 -0.14 0.00 0.21 0.00 0.00 66.02 68.03 1wfg s SER 41 CO 0.00 -0.18 1.47 0.52 0.41 0.00 0.00 173.24 175.46 1wfg n VAL 42 N 5.07 0.51 -1.14 3.43 0.31 -1.26 -2.84 118.33 122.40 1wfg n VAL 42 Ca -0.12 -0.13 -0.16 0.00 -0.01 0.00 0.00 64.34 63.92 1wfg n VAL 42 Cb 0.52 -1.46 0.12 0.00 -0.91 0.00 0.00 33.84 32.11 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 2.62 -1.41 -0.28 5.55 -0.04 -1.26 -4.86 135.00 135.32 1wfg n PRO 43 Ca 0.14 -1.01 0.16 0.00 -0.04 0.00 0.00 63.50 62.75 1wfg n PRO 43 Cb 0.30 -0.79 0.30 0.00 -0.04 0.00 0.00 33.50 33.26 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 -2.88 -0.06 0.00 0.54 5.12 -1.26 -4.18 116.66 113.94 1wfg n ARG 44 Ca 0.08 1.23 0.00 0.00 -1.93 0.00 0.00 57.85 57.23 1wfg n ARG 44 Cb 0.31 -2.01 0.00 0.00 -1.16 0.00 0.00 32.46 29.60 1wfg n ARG 44 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1wfg n ASP 45 N -5.13 0.00 -3.46 0.55 -0.08 -1.26 -5.05 116.55 102.12 1wfg n ASP 45 Ca 0.22 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 53.14 1wfg n ASP 45 Cb 0.74 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.14 1wfg n ASP 45 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1wfg n SER 46 N 0.00 2.46 -3.31 1.67 2.88 -1.26 -4.20 113.62 111.86 1wfg n SER 46 Ca 0.00 -2.52 -0.09 0.00 -1.33 0.00 0.00 58.87 54.93 1wfg n SER 46 Cb 0.00 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 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 4.43 -1.26 0.33 0.46 0.00 -1.26 -4.73 105.19 103.17 1wfg n GLY 47 Ca 0.44 0.51 -0.05 0.00 0.00 0.00 0.00 46.02 46.92 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 0.71 -0.02 0.00 4.61 0.00 -1.91 1.60 119.26 124.26 1wfg h ALA 48 Ca -0.23 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wfg h ALA 48 Cb 1.14 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1wfg h ALA 48 CO 0.33 -0.66 0.19 0.52 0.00 0.00 0.00 179.25 179.63 1wfg h MET 49 N -0.17 0.00 0.00 0.00 2.86 -1.89 -3.44 114.93 112.29 1wfg h MET 49 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1wfg h MET 49 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1wfg h MET 49 CO -0.63 0.00 0.00 1.28 1.06 0.00 0.00 176.91 178.62 1wfg n LEU 50 N -2.48 0.36 -0.44 1.22 4.32 0.55 -2.54 117.00 118.00 1wfg n LEU 50 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1wfg n LEU 50 Cb 0.22 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 41.28 1wfg n LEU 50 CO 0.11 -0.24 0.00 0.61 -1.22 0.00 0.00 177.39 176.65 1wfg n GLY 51 N -1.87 0.90 3.32 -0.72 0.00 -1.26 -0.30 105.19 105.26 1wfg n GLY 51 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.87 0.42 0.13 0.99 0.05 -1.05 -0.84 118.68 117.51 1wfg s LEU 52 Ca 0.00 0.01 0.09 0.00 0.05 0.00 0.00 54.13 54.28 1wfg s LEU 52 Cb 0.00 1.72 -0.04 0.00 -2.05 0.00 0.00 46.19 45.82 1wfg s LEU 52 CO 0.00 -0.65 -0.16 -0.75 -0.55 0.00 0.00 176.35 174.24 1wfg s LYS 53 N -2.39 1.87 -0.02 1.48 2.20 0.18 -4.86 119.74 118.20 1wfg s LYS 53 Ca -0.06 -1.19 -0.02 0.00 -0.36 0.00 0.00 55.97 54.35 1wfg s LYS 53 Cb -0.01 -2.14 0.01 0.00 -1.51 0.00 0.00 37.83 34.18 1wfg s LYS 53 CO -0.02 0.47 0.06 0.08 -0.36 0.00 0.00 175.35 175.58 1wfg s VAL 54 N -1.27 -0.01 -0.22 4.02 1.01 -1.26 -2.88 120.40 119.78 1wfg s VAL 54 Ca 0.20 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1wfg s VAL 54 Cb -0.10 -0.09 0.05 0.00 0.00 0.00 0.00 36.38 36.24 1wfg s VAL 54 CO 0.12 0.02 -0.09 -0.69 0.00 0.00 0.00 175.10 174.45 1wfg s VAL 55 N 0.24 1.74 0.00 2.92 1.01 -0.85 -4.95 120.40 120.51 1wfg s VAL 55 Ca -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1wfg s VAL 55 Cb -0.03 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1wfg s VAL 55 CO -0.01 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1wfg n GLY 56 N 4.62 2.09 2.50 4.51 0.00 -1.26 -2.16 105.19 115.49 1wfg n GLY 56 Ca -0.14 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.65 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 1.03 3.69 -0.02 0.00 -1.17 -4.13 105.19 109.59 1wfg n GLY 57 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.79 4.36 -0.28 1.61 2.20 -1.24 -4.69 119.74 118.92 1wfg s LYS 58 Ca 0.00 1.75 -0.29 0.00 -0.36 0.00 0.00 55.97 57.07 1wfg s LYS 58 Cb 0.00 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1wfg s LYS 58 CO 0.00 -0.42 1.26 -1.64 -0.36 0.00 0.00 175.35 174.19 1wfg s MET 59 N 1.93 4.00 0.31 4.03 -1.94 -1.26 -2.76 119.30 123.61 1wfg s MET 59 Ca 0.58 1.31 -0.03 0.00 -1.71 0.00 0.00 55.69 55.84 1wfg s MET 59 Cb -0.27 -3.84 0.07 0.00 2.01 0.00 0.00 34.83 32.80 1wfg s MET 59 CO 0.25 -1.01 0.43 0.25 -0.01 0.00 0.00 175.02 174.92 1wfg n THR 60 N 6.00 0.00 0.97 2.05 -2.24 0.31 -4.96 114.28 116.41 1wfg n THR 60 Ca 0.14 -0.46 0.13 0.00 -2.27 0.00 0.00 64.05 61.60 1wfg n THR 60 Cb 0.46 -1.52 0.51 0.00 -2.10 0.00 0.00 70.33 67.68 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 -1.85 0.02 -0.31 -0.78 0.28 -1.26 -2.93 120.64 113.81 1wfg n GLU 61 Ca 0.06 0.01 0.11 0.00 -0.16 0.00 0.00 57.16 57.19 1wfg n GLU 61 Cb 0.21 -1.52 0.28 0.00 1.43 0.00 0.00 31.44 31.84 1wfg n GLU 61 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1wfg n SER 62 N -1.56 3.72 -0.84 -1.84 3.41 -1.26 -4.92 113.62 110.33 1wfg n SER 62 Ca 0.06 -1.99 -0.10 0.00 -0.26 0.00 0.00 58.87 56.58 1wfg n SER 62 Cb 0.35 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 1wfg n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfg n GLY 63 N 1.48 1.03 3.83 5.00 0.00 -1.15 -5.01 105.19 110.37 1wfg n GLY 63 Ca 0.22 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.08 2.52 -0.09 1.61 0.52 -1.26 -4.84 118.95 114.32 1wfg s ARG 64 Ca 0.00 -1.51 -0.02 0.00 -0.52 0.00 0.00 55.73 53.68 1wfg s ARG 64 Cb 0.00 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 1wfg s ARG 64 CO 0.00 -0.05 -0.01 -0.51 0.02 0.00 0.00 175.30 174.75 1wfg s LEU 65 N -4.01 3.49 -0.13 2.53 1.43 -1.26 -0.53 118.68 120.20 1wfg s LEU 65 Ca 0.43 0.09 -0.20 0.00 -1.03 0.00 0.00 54.13 53.43 1wfg s LEU 65 Cb -0.03 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.44 1wfg s LEU 65 CO 0.26 0.35 0.50 0.00 0.23 0.00 0.00 176.35 177.69 1wfg s ALA 67 N -0.33 3.54 -0.12 0.00 0.00 -1.26 -3.64 121.76 119.95 1wfg s ALA 67 Ca -0.05 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.24 1wfg s ALA 67 Cb -0.03 -2.41 0.04 0.00 0.00 0.00 0.00 23.12 20.72 1wfg s ALA 67 CO 0.03 0.11 0.45 -0.06 0.00 0.00 0.00 175.76 176.29 1wfg s PHE 68 N -2.23 -0.45 -0.01 0.00 0.08 -0.92 -3.66 117.98 110.79 1wfg s PHE 68 Ca 0.46 1.00 -0.30 0.00 0.12 0.00 0.00 56.93 58.21 1wfg s PHE 68 Cb -0.10 0.18 -0.05 0.00 -0.57 0.00 0.00 43.02 42.47 1wfg s PHE 68 CO 0.32 -0.31 1.42 0.42 -0.10 0.00 0.00 175.22 176.97 1wfg s ILE 69 N -0.25 3.71 -0.24 0.64 1.01 -1.05 -2.01 121.20 123.00 1wfg s ILE 69 Ca -0.04 1.07 -0.14 0.00 0.00 0.00 0.00 60.65 61.54 1wfg s ILE 69 Cb -0.03 -3.69 -0.16 0.00 0.01 0.00 0.00 42.46 38.59 1wfg s ILE 69 CO 0.02 -0.02 -0.09 0.35 0.00 0.00 0.00 174.94 175.21 1wfg n THR 70 N 4.77 1.55 -3.80 2.92 -2.24 -1.14 -1.00 114.28 115.35 1wfg n THR 70 Ca 0.14 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1wfg n THR 70 Cb 0.44 -1.87 -0.09 0.00 -2.10 0.00 0.00 70.33 66.70 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 -2.47 0.57 -0.11 -0.78 2.20 -1.26 -4.65 119.74 113.24 1wfg s LYS 71 Ca -0.34 -0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 55.04 1wfg s LYS 71 Cb 0.10 0.25 0.06 0.00 -1.51 0.00 0.00 37.83 36.73 1wfg s LYS 71 CO 0.56 -0.14 0.19 0.54 -0.36 0.00 0.00 175.35 176.13 1wfg s VAL 72 N -1.18 -0.29 0.18 4.02 0.11 -1.26 0.48 120.40 122.46 1wfg s VAL 72 Ca -0.12 0.25 -0.33 0.00 -2.93 0.00 0.00 61.98 58.84 1wfg s VAL 72 Cb -0.06 -0.39 -0.14 0.00 -1.53 0.00 0.00 36.38 34.26 1wfg s VAL 72 CO 0.03 0.07 1.47 1.17 -3.33 0.00 0.00 175.10 174.51 1wfg n LYS 73 N 5.33 1.95 -2.75 1.54 3.00 -0.02 -4.88 118.16 122.33 1wfg n LYS 73 Ca -0.05 0.70 -0.43 0.00 -0.00 0.00 0.00 58.31 58.53 1wfg n LYS 73 Cb 0.50 -2.40 -0.04 0.00 0.00 0.00 0.00 35.03 33.09 1wfg n LYS 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1wfg s LYS 74 N 0.34 3.36 0.00 1.64 2.20 -1.26 -3.23 119.74 122.78 1wfg s LYS 74 Ca 0.75 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1wfg s LYS 74 Cb -0.71 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 31.55 1wfg s LYS 74 CO 0.44 -1.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.22 1wfg n GLY 75 N 5.14 1.83 3.68 5.54 0.00 -1.26 -5.07 105.19 115.04 1wfg n GLY 75 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1wfg n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfg s SER 76 N -2.00 4.30 0.05 1.61 0.01 -1.20 -4.80 113.70 111.67 1wfg s SER 76 Ca 0.00 -1.01 -0.10 0.00 1.31 0.00 0.00 55.95 56.14 1wfg s SER 76 Cb 0.00 -0.54 -0.02 0.00 0.21 0.00 0.00 66.02 65.67 1wfg s SER 76 CO 0.00 -0.35 1.14 0.18 0.41 0.00 0.00 173.24 174.62 1wfg n LEU 77 N -1.06 -0.35 -3.16 2.44 4.77 -1.22 0.21 117.00 118.62 1wfg n LEU 77 Ca -0.03 1.22 -0.23 0.00 -0.03 0.00 0.00 56.01 56.93 1wfg n LEU 77 Cb 0.63 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1wfg n LEU 77 CO 0.44 -0.80 2.43 0.00 -1.33 0.00 0.00 177.39 178.14 1wfg n ALA 78 N -3.07 4.97 0.00 -1.18 0.00 0.59 -0.89 120.51 120.93 1wfg n ALA 78 Ca 0.01 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.33 1wfg n ALA 78 Cb 0.09 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.52 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 4.11 0.00 -0.09 0.00 2.03 0.27 -3.98 116.55 118.89 1wfg n ASP 79 Ca 0.47 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.61 1wfg n ASP 79 Cb 0.15 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.44 1wfg n ASP 79 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1wfg h THR 80 N 0.00 1.19 0.03 5.18 1.35 0.29 -2.81 112.91 118.15 1wfg h THR 80 Ca 0.00 -2.16 -0.37 0.00 -0.55 0.00 0.00 66.41 63.33 1wfg h THR 80 Cb 0.00 2.52 -0.05 0.00 -1.73 0.00 0.00 68.15 68.89 1wfg h THR 80 CO 0.00 0.40 -2.22 1.33 -0.25 0.00 0.00 175.52 174.78 1wfg n VAL 81 N -4.52 1.57 0.07 6.82 0.24 -0.61 -4.45 118.33 117.44 1wfg n VAL 81 Ca -0.21 -0.69 -0.21 0.00 -2.04 0.00 0.00 64.34 61.19 1wfg n VAL 81 Cb 0.56 -1.25 -0.15 0.00 -1.47 0.00 0.00 33.84 31.53 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 2.39 0.40 -4.39 7.63 0.00 -1.24 -3.45 103.07 104.40 1wfg h GLY 82 Ca -0.49 -1.01 -0.24 0.00 0.00 0.00 0.00 47.33 45.59 1wfg h GLY 82 CO 0.01 0.89 -0.49 1.42 0.00 0.00 0.00 176.54 178.36 1wfg n HIS 83 N -4.04 -1.69 -2.21 5.60 -0.00 -1.06 -4.76 115.22 107.07 1wfg n HIS 83 Ca -0.15 0.66 -0.27 0.00 -0.00 0.00 0.00 57.72 57.96 1wfg n HIS 83 Cb 0.88 -3.94 0.12 0.00 -0.00 0.00 0.00 29.99 27.06 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 -5.09 2.82 -0.01 2.41 1.43 -1.26 -4.88 118.68 114.09 1wfg s LEU 84 Ca 0.17 0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 53.24 1wfg s LEU 84 Cb -0.08 -2.52 0.04 0.00 0.03 0.00 0.00 46.19 43.67 1wfg s LEU 84 CO 0.49 -2.08 0.43 -0.13 0.23 0.00 0.00 176.35 175.30 1wfg s ARG 85 N -5.45 0.83 -0.74 1.70 0.52 -1.26 -4.74 118.95 109.80 1wfg s ARG 85 Ca 0.67 -0.11 -0.26 0.00 -0.52 0.00 0.00 55.73 55.51 1wfg s ARG 85 Cb -0.07 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.78 1wfg s ARG 85 CO 0.48 -0.25 1.60 -1.25 0.02 0.00 0.00 175.30 175.89 1wfg s PRO 86 N -1.53 2.95 0.00 3.54 0.04 -1.26 -2.95 135.00 135.79 1wfg s PRO 86 Ca -0.11 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1wfg s PRO 86 Cb -0.03 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 30.01 1wfg s PRO 86 CO 0.04 -2.52 0.00 0.41 0.04 0.00 0.00 177.00 174.98 1wfg n GLY 87 N 5.84 0.37 2.20 0.56 0.00 -0.17 -4.88 105.19 109.12 1wfg n GLY 87 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.61 -3.65 1.61 8.00 -1.15 -4.73 116.55 114.01 1wfg n ASP 88 Ca 0.00 -0.76 -0.28 0.00 0.71 0.00 0.00 54.79 54.47 1wfg n ASP 88 Cb 0.00 -0.66 -0.16 0.00 -0.02 0.00 0.00 41.12 40.28 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 -4.50 0.40 -0.44 -1.24 2.12 -1.26 -2.54 118.70 111.23 1wfg s GLU 89 Ca 0.46 -0.46 -0.28 0.00 0.36 0.00 0.00 54.97 55.04 1wfg s GLU 89 Cb -0.06 -1.79 -0.01 0.00 0.26 0.00 0.00 34.13 32.53 1wfg s GLU 89 CO 0.37 -0.80 1.67 0.08 -0.54 0.00 0.00 175.26 176.04 1wfg s VAL 90 N 1.95 3.59 -0.03 3.70 1.01 -1.24 -2.61 120.40 126.77 1wfg s VAL 90 Ca 0.04 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 62.41 1wfg s VAL 90 Cb -0.17 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.17 1wfg s VAL 90 CO -0.18 -0.71 0.68 -0.07 0.00 0.00 0.00 175.10 174.83 1wfg h LEU 91 N 13.83 -0.44 -9.54 3.92 3.38 0.25 -3.41 115.31 123.30 1wfg h LEU 91 Ca -0.30 -0.03 -0.60 0.00 0.09 0.00 0.00 57.88 57.04 1wfg h LEU 91 Cb 1.14 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.88 1wfg h LEU 91 CO 1.10 -0.00 -0.64 -1.61 0.09 0.00 0.00 178.44 177.38 1wfg s GLU 92 N -3.41 1.95 -0.35 1.13 2.02 -1.23 0.83 118.70 119.64 1wfg s GLU 92 Ca -0.09 -1.87 0.02 0.00 0.02 0.00 0.00 54.97 53.06 1wfg s GLU 92 Cb 0.01 -1.80 0.15 0.00 0.10 0.00 0.00 34.13 32.59 1wfg s GLU 92 CO 0.28 0.11 0.36 -0.46 0.02 0.00 0.00 175.26 175.57 1wfg s TRP 93 N -2.58 -0.32 -0.64 1.61 -0.11 0.31 -2.56 118.94 114.65 1wfg s TRP 93 Ca 0.34 -0.70 -0.02 0.00 1.22 0.00 0.00 56.10 56.94 1wfg s TRP 93 Cb 0.02 -0.42 0.00 0.00 -1.50 0.00 0.00 33.47 31.57 1wfg s TRP 93 CO 0.18 -0.96 0.27 -1.71 -4.62 0.00 0.00 176.95 170.11 1wfg n ASN 94 N 4.45 -3.48 0.00 5.86 2.85 0.60 -2.34 115.26 123.20 1wfg n ASN 94 Ca 0.09 -0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1wfg n ASN 94 Cb 0.45 -2.36 0.00 0.00 1.24 0.00 0.00 39.78 39.11 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 -1.07 1.49 3.55 8.20 0.00 -1.26 -4.94 105.19 111.15 1wfg n GLY 95 Ca -0.04 0.00 -0.42 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 -0.42 3.59 0.13 1.61 1.81 -0.99 -5.03 118.95 119.64 1wfg s ARG 96 Ca 0.00 -0.15 -0.31 0.00 -1.72 0.00 0.00 55.73 53.56 1wfg s ARG 96 Cb 0.00 -3.82 -0.07 0.00 -0.45 0.00 0.00 34.95 30.60 1wfg s ARG 96 CO 0.00 -0.70 1.30 -1.17 -0.68 0.00 0.00 175.30 174.05 1wfg s LEU 97 N 2.49 4.39 0.02 2.53 2.96 -1.26 0.12 118.68 129.92 1wfg s LEU 97 Ca 0.20 2.25 0.20 0.00 -0.22 0.00 0.00 54.13 56.56 1wfg s LEU 97 Cb -0.15 -3.59 -0.20 0.00 0.50 0.00 0.00 46.19 42.74 1wfg s LEU 97 CO 0.14 -0.54 0.62 0.18 -1.32 0.00 0.00 176.35 175.43 1wfg n LEU 98 N 3.48 0.38 -4.60 -0.68 4.77 0.24 -4.64 117.00 115.95 1wfg n LEU 98 Ca 0.09 0.16 -0.46 0.00 -0.03 0.00 0.00 56.01 55.76 1wfg n LEU 98 Cb 0.44 0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1wfg n LEU 98 CO 0.57 0.07 1.71 0.00 -1.33 0.00 0.00 177.39 178.41 1wfg n GLN 99 N -2.57 1.93 0.00 3.23 6.02 -1.21 -0.04 117.38 124.75 1wfg n GLN 99 Ca -0.09 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 1wfg n GLN 99 Cb 0.72 -2.86 0.00 0.00 1.02 0.00 0.00 30.24 29.12 1wfg n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wfg n GLY 100 N 5.40 2.98 3.69 1.08 0.00 0.38 -4.99 105.19 113.73 1wfg n GLY 100 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.27 1.15 -1.80 4.61 0.00 0.95 -4.59 120.51 120.55 1wfg n ALA 101 Ca 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.36 1wfg n ALA 101 Cb 0.00 -2.25 0.12 0.00 0.00 0.00 0.00 19.45 17.32 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 -1.25 1.99 0.26 0.00 -4.23 -1.26 -3.06 115.64 108.09 1wfg s THR 102 Ca 0.64 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.14 1wfg s THR 102 Cb -0.49 -2.93 0.25 0.00 1.34 0.00 0.00 72.50 70.68 1wfg s THR 102 CO 0.55 0.00 1.83 0.15 -0.54 0.00 0.00 174.62 176.61 1wfg h PHE 103 N -1.29 1.03 -0.28 3.99 3.04 -1.84 0.15 116.94 121.75 1wfg h PHE 103 Ca -0.47 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.41 1wfg h PHE 103 Cb 1.31 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 39.50 1wfg h PHE 103 CO 0.02 0.42 -0.24 0.93 -2.02 0.00 0.00 178.31 177.42 1wfg h GLU 104 N 0.92 0.65 0.79 1.11 5.08 -1.92 -2.72 114.58 118.50 1wfg h GLU 104 Ca 0.45 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1wfg h GLU 104 Cb 0.41 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1wfg h GLU 104 CO -0.25 0.93 -0.46 0.93 -1.00 0.00 0.00 179.01 179.16 1wfg h GLU 105 N 0.39 -1.12 -0.98 2.33 5.08 -1.64 1.07 114.58 119.71 1wfg h GLU 105 Ca 0.05 0.08 0.29 0.00 -1.00 0.00 0.00 59.36 58.77 1wfg h GLU 105 Cb 0.80 0.26 -0.14 0.00 0.50 0.00 0.00 28.75 30.16 1wfg h GLU 105 CO 0.06 -0.75 0.51 0.28 -1.00 0.00 0.00 179.01 178.11 1wfg h VAL 106 N -1.17 0.36 0.12 3.13 2.07 -0.81 0.76 116.25 120.71 1wfg h VAL 106 Ca -0.11 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1wfg h VAL 106 Cb 0.93 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1wfg h VAL 106 CO 0.12 0.07 -0.06 0.22 0.02 0.00 0.00 177.57 177.94 1wfg h TYR 107 N 0.36 -0.15 -1.37 1.57 5.03 -1.07 -2.95 116.97 118.39 1wfg h TYR 107 Ca 0.68 -0.00 0.40 0.00 2.58 0.00 0.00 58.73 62.38 1wfg h TYR 107 Cb 1.45 0.05 -0.08 0.00 1.55 0.00 0.00 36.73 39.71 1wfg h TYR 107 CO -0.06 0.33 0.96 -0.91 -1.32 0.00 0.00 178.16 177.16 1wfg h ASN 108 N -0.77 0.11 0.11 -2.11 2.35 0.33 0.68 115.58 116.27 1wfg h ASN 108 Ca -0.02 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1wfg h ASN 108 Cb 0.55 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1wfg h ASN 108 CO 0.03 -0.02 -0.05 0.40 -1.65 0.00 0.00 177.43 176.13 1wfg h ILE 109 N 0.07 0.00 -1.05 2.81 2.04 -0.87 1.52 117.51 122.03 1wfg h ILE 109 Ca 0.70 -0.07 0.28 0.00 1.00 0.00 0.00 64.86 66.77 1wfg h ILE 109 Cb 2.55 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 38.56 1wfg h ILE 109 CO -0.12 0.00 0.71 0.40 0.00 0.00 0.00 178.15 179.14 1wfg h ILE 110 N -0.22 0.50 0.05 -0.67 2.04 -0.92 1.23 117.51 119.52 1wfg h ILE 110 Ca -0.02 -0.08 -0.25 0.00 1.00 0.00 0.00 64.86 65.52 1wfg h ILE 110 Cb 0.11 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1wfg h ILE 110 CO 0.02 0.04 -1.05 0.25 0.00 0.00 0.00 178.15 177.42 1wfg h LEU 111 N 0.24 0.53 -0.90 1.44 7.12 0.33 -2.89 115.31 121.20 1wfg h LEU 111 Ca 0.56 -0.47 -0.02 0.00 0.13 0.00 0.00 57.88 58.07 1wfg h LEU 111 Cb 1.71 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 41.67 1wfg h LEU 111 CO -0.18 1.30 -0.11 -0.33 -0.13 0.00 0.00 178.44 178.98 1wfg h GLU 112 N 0.19 0.00 -0.62 1.25 4.39 1.04 -2.72 114.58 118.11 1wfg h GLU 112 Ca -0.10 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.39 1wfg h GLU 112 Cb 1.72 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 30.24 1wfg h GLU 112 CO 0.18 0.11 0.21 0.43 -1.16 0.00 0.00 179.01 178.78 1wfg n SER 113 N -3.20 4.18 -0.03 1.42 7.64 0.32 -4.47 113.62 119.48 1wfg n SER 113 Ca 0.01 -3.33 -0.14 0.00 1.01 0.00 0.00 58.87 56.43 1wfg n SER 113 Cb 0.43 -0.70 -0.11 0.00 -1.01 0.00 0.00 64.21 62.82 1wfg n SER 113 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfg h LYS 114 N 2.08 0.10 0.00 1.43 3.64 -1.27 -3.26 116.57 119.30 1wfg h LYS 114 Ca 0.25 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1wfg h LYS 114 Cb 2.14 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.97 1wfg h LYS 114 CO 0.64 0.80 -0.40 -1.00 -2.27 0.00 0.00 179.45 177.21 1wfg h PRO 115 N -0.56 0.00 -6.20 1.90 0.13 -1.80 -3.47 132.00 122.00 1wfg h PRO 115 Ca -0.01 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.53 1wfg h PRO 115 Cb 0.83 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.14 1wfg h PRO 115 CO 0.02 0.40 -0.89 0.39 -0.23 0.00 0.00 178.00 177.70 1wfg n GLU 116 N -3.39 0.18 0.03 0.86 1.02 -1.23 -4.89 120.64 113.23 1wfg n GLU 116 Ca 0.01 0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 57.05 1wfg n GLU 116 Cb 0.58 -1.27 -0.07 0.00 -0.02 0.00 0.00 31.44 30.66 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 0.02 0.62 -4.86 3.49 0.13 -1.89 -3.46 132.00 126.04 1wfg h PRO 117 Ca -0.43 -0.60 -0.28 0.00 -0.87 0.00 0.00 66.00 63.82 1wfg h PRO 117 Cb 1.42 0.16 -0.15 0.00 0.13 0.00 0.00 31.00 32.56 1wfg h PRO 117 CO 0.43 1.21 -0.71 1.14 -0.23 0.00 0.00 178.00 179.84 1wfg s GLN 118 N -3.44 0.94 -0.19 0.86 -2.07 -1.26 -0.29 119.66 114.20 1wfg s GLN 118 Ca -0.08 -1.37 -0.01 0.00 -1.82 0.00 0.00 55.36 52.07 1wfg s GLN 118 Cb 0.08 -0.41 0.05 0.00 -1.09 0.00 0.00 33.01 31.64 1wfg s GLN 118 CO 0.89 0.03 -0.01 0.08 -1.32 0.00 0.00 175.29 174.96 1wfg s VAL 119 N -3.40 0.97 -0.18 3.63 1.01 0.89 -4.93 120.40 118.38 1wfg s VAL 119 Ca 0.13 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 1wfg s VAL 119 Cb 0.03 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1wfg s VAL 119 CO -0.02 -0.07 0.36 -0.70 0.00 0.00 0.00 175.10 174.67 1wfg s GLU 120 N 1.67 4.22 0.30 2.72 2.12 -1.26 -0.69 118.70 127.78 1wfg s GLU 120 Ca -0.02 0.17 0.10 0.00 0.36 0.00 0.00 54.97 55.59 1wfg s GLU 120 Cb -0.17 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 1wfg s GLU 120 CO -0.07 0.08 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.12 1wfg s LEU 121 N 0.93 2.79 -0.15 2.70 1.02 0.52 0.22 118.68 126.71 1wfg s LEU 121 Ca 0.18 -1.00 -0.05 0.00 0.02 0.00 0.00 54.13 53.28 1wfg s LEU 121 Cb -0.14 -1.22 0.07 0.00 0.02 0.00 0.00 46.19 44.92 1wfg s LEU 121 CO 0.07 -0.07 0.28 -0.69 0.02 0.00 0.00 176.35 175.96 1wfg s VAL 122 N -2.51 -0.45 0.04 -1.59 1.01 -1.06 -1.01 120.40 114.83 1wfg s VAL 122 Ca 0.32 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.61 1wfg s VAL 122 Cb -0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1wfg s VAL 122 CO 0.17 0.09 -0.19 0.68 0.00 0.00 0.00 175.10 175.85 1wfg s VAL 123 N 2.45 2.70 -0.21 2.92 -7.23 0.34 0.23 120.40 121.60 1wfg s VAL 123 Ca 0.01 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1wfg s VAL 123 Cb -0.12 -2.12 0.05 0.00 0.56 0.00 0.00 36.38 34.75 1wfg s VAL 123 CO -0.09 0.36 -0.06 -0.55 -0.31 0.00 0.00 175.10 174.44 1wfg s SER 124 N -1.37 3.56 0.27 4.85 0.15 -1.07 0.17 113.70 120.26 1wfg s SER 124 Ca 0.14 -1.02 0.10 0.00 0.70 0.00 0.00 55.95 55.88 1wfg s SER 124 Cb -0.10 -1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 63.02 1wfg s SER 124 CO 0.04 -0.21 -0.06 0.00 1.20 0.00 0.00 173.24 174.22 1wfg s ARG 125 N 1.44 2.12 -0.41 5.44 1.70 -0.14 -4.48 118.95 124.62 1wfg s ARG 125 Ca -0.04 -1.51 -0.22 0.00 -0.47 0.00 0.00 55.73 53.50 1wfg s ARG 125 Cb -0.18 -2.06 0.02 0.00 -0.57 0.00 0.00 34.95 32.17 1wfg s ARG 125 CO -0.07 0.36 0.71 -1.54 -1.08 0.00 0.00 175.30 173.68 1wfg s SER 126 N -3.59 6.41 0.69 -2.89 1.04 -1.26 0.13 113.70 114.22 1wfg s SER 126 Ca 0.31 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1wfg s SER 126 Cb -0.06 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1wfg s SER 126 CO 0.18 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1wfg n GLY 127 N 4.86 -2.76 0.00 7.32 0.00 0.12 -4.84 105.19 109.89 1wfg n GLY 127 Ca 0.01 -1.36 0.10 0.00 0.00 0.00 0.00 46.02 44.76 1wfg n GLY 127 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfg n PRO 128 N -1.14 0.75 -1.38 1.61 -0.04 -1.26 -4.95 135.00 128.59 1wfg n PRO 128 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wfg n PRO 128 Cb 0.00 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 1wfg n PRO 128 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfg n SER 129 N -0.92 -7.57 -4.61 3.54 7.64 -1.26 -4.83 113.62 105.61 1wfg n SER 129 Ca 0.15 1.06 -0.42 0.00 1.01 0.00 0.00 58.87 60.68 1wfg n SER 129 Cb 0.07 -3.94 -0.06 0.00 -1.01 0.00 0.00 64.21 59.28 1wfg n SER 129 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfg s SER 130 N -3.01 6.59 0.00 6.43 0.15 -1.26 -5.00 113.70 117.60 1wfg s SER 130 Ca 0.00 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1wfg s SER 130 Cb 0.00 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1wfg s SER 130 CO 0.00 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.48