#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfn n SER 2 N 0.00 -6.96 -3.79 1.61 2.88 -1.26 -4.78 113.62 101.32 1wfn n SER 2 Ca 0.00 1.07 -0.29 0.00 -1.33 0.00 0.00 58.87 58.31 1wfn n SER 2 Cb 0.00 -4.35 -0.13 0.00 -0.75 0.00 0.00 64.21 58.98 1wfn n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfn s SER 3 N -6.75 3.86 0.04 -3.46 0.15 -1.26 -5.07 113.70 101.22 1wfn s SER 3 Ca 0.00 -2.85 -0.01 0.00 0.70 0.00 0.00 55.95 53.79 1wfn s SER 3 Cb 0.00 -1.24 0.01 0.00 -1.71 0.00 0.00 66.02 63.07 1wfn s SER 3 CO 0.00 -0.24 0.07 0.61 1.20 0.00 0.00 173.24 174.88 1wfn n GLY 4 N 3.28 1.89 3.92 9.45 0.00 -1.26 -5.17 105.19 117.29 1wfn n GLY 4 Ca 0.09 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1wfn n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfn s SER 5 N -1.19 6.35 -0.24 1.61 0.15 -1.26 -5.10 113.70 114.02 1wfn s SER 5 Ca 0.01 0.25 -0.30 0.00 0.70 0.00 0.00 55.95 56.62 1wfn s SER 5 Cb -0.00 -1.95 0.17 0.00 -1.71 0.00 0.00 66.02 62.53 1wfn s SER 5 CO 0.01 0.15 1.23 -0.55 1.20 0.00 0.00 173.24 175.28 1wfn s SER 6 N -2.63 -0.16 -0.61 5.45 0.15 -1.26 -5.11 113.70 109.53 1wfn s SER 6 Ca 0.35 0.17 0.04 0.00 0.70 0.00 0.00 55.95 57.21 1wfn s SER 6 Cb -0.13 0.13 0.15 0.00 -1.71 0.00 0.00 66.02 64.47 1wfn s SER 6 CO 0.28 -0.15 0.39 -0.83 1.20 0.00 0.00 173.24 174.13 1wfn s GLY 7 N -1.06 2.63 1.10 9.45 0.00 -1.26 -5.10 107.32 113.09 1wfn s GLY 7 Ca 0.05 -3.52 -0.18 0.00 0.00 0.00 0.00 44.72 41.07 1wfn s GLY 7 CO -0.04 1.11 1.23 2.56 0.00 0.00 0.00 173.10 177.96 1wfn s PRO 8 N -0.88 -0.46 1.07 2.90 0.04 -1.26 -5.05 135.00 131.35 1wfn s PRO 8 Ca 0.22 -0.31 -0.16 0.00 0.04 0.00 0.00 61.00 60.79 1wfn s PRO 8 Cb -0.13 -1.71 0.22 0.00 0.04 0.00 0.00 34.50 32.92 1wfn s PRO 8 CO -0.10 -3.17 1.14 1.14 0.04 0.00 0.00 177.00 176.06 1wfn s GLN 9 N -5.70 -0.13 -0.07 4.56 0.00 -1.26 -5.08 119.66 111.98 1wfn s GLN 9 Ca 0.74 0.08 -0.32 0.00 -0.00 0.00 0.00 55.36 55.86 1wfn s GLN 9 Cb -0.06 -1.71 0.13 0.00 0.00 0.00 0.00 33.01 31.38 1wfn s GLN 9 CO 0.55 -3.01 1.38 -0.51 0.00 0.00 0.00 175.29 173.69 1wfn s LEU 10 N -6.51 -0.02 0.27 2.60 1.43 -1.26 -5.15 118.68 110.05 1wfn s LEU 10 Ca 0.69 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1wfn s LEU 10 Cb -0.12 1.16 0.00 0.00 0.03 0.00 0.00 46.19 47.26 1wfn s LEU 10 CO 0.55 -0.12 0.00 0.52 0.23 0.00 0.00 176.35 177.53 1wfn n VAL 11 N -0.54 -6.95 -2.07 -1.59 0.31 -1.26 -4.96 118.33 101.27 1wfn n VAL 11 Ca -0.08 2.39 0.00 0.00 -0.01 0.00 0.00 64.34 66.63 1wfn n VAL 11 Cb 0.63 -3.61 0.00 0.00 -0.91 0.00 0.00 33.84 29.95 1wfn n VAL 11 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wfn n ARG 12 N 0.71 -4.87 -3.65 5.55 1.74 -1.26 -5.09 116.66 109.79 1wfn n ARG 12 Ca 0.00 3.54 -0.01 0.00 -0.77 0.00 0.00 57.85 60.61 1wfn n ARG 12 Cb 0.00 -4.08 -0.07 0.00 -1.02 0.00 0.00 32.46 27.29 1wfn n ARG 12 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1wfn s THR 13 N -0.50 0.00 0.00 0.55 -1.32 -1.26 -5.15 115.64 107.96 1wfn s THR 13 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1wfn s THR 13 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1wfn s THR 13 CO 0.00 0.00 0.00 1.41 -2.21 0.00 0.00 174.62 173.82 1wfn n HIS 14 N 2.05 0.00 -4.38 9.09 8.25 -1.26 -5.17 115.22 123.80 1wfn n HIS 14 Ca -0.12 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.14 1wfn n HIS 14 Cb 0.57 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.53 1wfn n HIS 14 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1wfn s GLU 15 N 0.00 0.83 0.14 -0.41 8.01 -1.26 -5.05 118.70 120.96 1wfn s GLU 15 Ca 0.00 -0.32 -0.29 0.00 0.01 0.00 0.00 54.97 54.37 1wfn s GLU 15 Cb 0.00 -0.79 -0.04 0.00 -4.31 0.00 0.00 34.13 28.99 1wfn s GLU 15 CO 0.00 0.16 1.57 0.22 0.01 0.00 0.00 175.26 177.22 1wfn h ASP 16 N 6.10 -1.53 -1.93 -0.19 1.82 -2.00 -3.42 116.42 115.28 1wfn h ASP 16 Ca -0.32 0.22 -0.52 0.00 -0.39 0.00 0.00 57.03 56.02 1wfn h ASP 16 Cb 1.17 0.65 0.24 0.00 0.68 0.00 0.00 39.33 42.08 1wfn h ASP 16 CO 0.49 -0.39 -1.86 1.33 -1.61 0.00 0.00 179.24 177.20 1wfn n VAL 17 N -5.41 0.00 -1.51 2.25 0.24 -1.26 -4.75 118.33 107.90 1wfn n VAL 17 Ca -0.02 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.34 61.71 1wfn n VAL 17 Cb 0.35 -0.17 0.23 0.00 -1.47 0.00 0.00 33.84 32.78 1wfn n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wfn s PRO 18 N -2.42 -0.57 0.00 7.34 0.04 -1.26 -4.86 135.00 133.27 1wfn s PRO 18 Ca 0.43 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1wfn s PRO 18 Cb -0.08 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1wfn s PRO 18 CO 0.73 -3.23 0.00 0.41 0.04 0.00 0.00 177.00 174.95 1wfn n GLY 19 N -2.41 1.83 3.71 0.56 0.00 -1.24 -1.88 105.19 105.76 1wfn n GLY 19 Ca 0.16 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1wfn n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfn s PRO 20 N 3.50 4.44 0.25 1.61 0.04 -1.26 -3.63 135.00 139.94 1wfn s PRO 20 Ca 0.00 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 1wfn s PRO 20 Cb 0.00 -3.38 0.06 0.00 0.04 0.00 0.00 34.50 31.22 1wfn s PRO 20 CO 0.00 -0.25 0.13 1.33 0.04 0.00 0.00 177.00 178.25 1wfn n VAL 21 N 4.00 0.00 0.00 -0.36 0.24 -1.26 -4.44 118.33 116.50 1wfn n VAL 21 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1wfn n VAL 21 Cb 0.47 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 1wfn n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wfn n GLY 22 N -0.73 -3.08 3.63 7.63 0.00 0.12 -4.71 105.19 108.05 1wfn n GLY 22 Ca 0.02 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 1wfn n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wfn s HIS 23 N 0.00 3.27 0.17 1.61 -3.43 -1.26 -4.59 115.29 111.05 1wfn s HIS 23 Ca 0.00 0.93 -0.33 0.00 -0.80 0.00 0.00 55.06 54.86 1wfn s HIS 23 Cb 0.00 -3.03 -0.15 0.00 -1.43 0.00 0.00 32.58 27.96 1wfn s HIS 23 CO 0.00 -0.43 1.22 1.28 -2.00 0.00 0.00 174.74 174.81 1wfn n LEU 24 N 5.97 1.75 -4.04 5.38 7.99 -1.26 -4.52 117.00 128.28 1wfn n LEU 24 Ca 0.03 1.14 -0.08 0.00 -0.01 0.00 0.00 56.01 57.09 1wfn n LEU 24 Cb 0.48 -1.24 -0.10 0.00 -0.11 0.00 0.00 43.42 42.45 1wfn n LEU 24 CO 0.47 -1.16 -0.35 -0.55 -1.51 0.00 0.00 177.39 174.29 1wfn s SER 25 N 0.11 0.37 -0.04 -1.43 0.15 0.15 -4.74 113.70 108.27 1wfn s SER 25 Ca 0.74 -0.78 -0.10 0.00 0.70 0.00 0.00 55.95 56.50 1wfn s SER 25 Cb -0.84 0.17 0.02 0.00 -1.71 0.00 0.00 66.02 63.66 1wfn s SER 25 CO 0.51 -0.49 0.24 -0.36 1.20 0.00 0.00 173.24 174.34 1wfn s PHE 26 N -2.95 -0.16 0.27 3.44 0.40 -1.26 -0.01 117.98 117.71 1wfn s PHE 26 Ca -0.02 0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 56.51 1wfn s PHE 26 Cb 0.01 0.06 0.00 0.00 0.51 0.00 0.00 43.02 43.60 1wfn s PHE 26 CO -0.06 -0.26 0.50 -1.54 0.70 0.00 0.00 175.22 174.55 1wfn s SER 27 N -0.78 0.05 -1.41 1.36 1.04 -0.76 -4.94 113.70 108.26 1wfn s SER 27 Ca -0.09 -1.01 -0.03 0.00 0.48 0.00 0.00 55.95 55.30 1wfn s SER 27 Cb -0.05 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1wfn s SER 27 CO 0.02 -1.20 0.37 -0.62 0.98 0.00 0.00 173.24 172.79 1wfn n GLU 28 N -0.42 -2.61 -3.13 4.02 -0.58 -1.26 -1.42 120.64 115.24 1wfn n GLU 28 Ca -0.02 0.34 -0.39 0.00 -0.42 0.00 0.00 57.16 56.67 1wfn n GLU 28 Cb 0.62 -4.25 -0.05 0.00 -0.57 0.00 0.00 31.44 27.18 1wfn n GLU 28 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wfn s ILE 29 N -3.99 4.93 0.00 -3.67 1.01 -1.26 -4.06 121.20 114.15 1wfn s ILE 29 Ca 0.05 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.05 1wfn s ILE 29 Cb -0.02 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1wfn s ILE 29 CO 0.91 0.36 0.00 0.18 0.00 0.00 0.00 174.94 176.39 1wfn n LEU 30 N 3.05 0.00 -0.03 2.97 7.99 0.22 -4.34 117.00 126.86 1wfn n LEU 30 Ca -0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.92 1wfn n LEU 30 Cb 0.51 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.77 1wfn n LEU 30 CO 0.45 0.00 -0.71 -0.90 -1.51 0.00 0.00 177.39 174.72 1wfn n ASP 31 N 0.00 3.47 -0.36 -1.43 5.75 -1.26 0.20 116.55 122.93 1wfn n ASP 31 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1wfn n ASP 31 Cb 0.00 0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1wfn n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1wfn n THR 32 N -2.29 0.00 -3.71 2.12 -2.24 -1.26 -0.41 114.28 106.49 1wfn n THR 32 Ca -0.10 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1wfn n THR 32 Cb 0.69 0.53 -0.13 0.00 -2.10 0.00 0.00 70.33 69.32 1wfn n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfn s SER 33 N -0.61 -0.21 0.21 3.42 1.04 -1.26 -0.14 113.70 116.15 1wfn s SER 33 Ca 0.00 0.59 -0.10 0.00 0.48 0.00 0.00 55.95 56.92 1wfn s SER 33 Cb 0.00 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1wfn s SER 33 CO 0.00 -0.18 0.36 -1.48 0.98 0.00 0.00 173.24 172.92 1wfn s LEU 34 N 1.47 0.64 -0.06 2.42 0.05 -0.31 0.70 118.68 123.59 1wfn s LEU 34 Ca -0.08 -0.98 0.04 0.00 0.05 0.00 0.00 54.13 53.17 1wfn s LEU 34 Cb -0.10 1.37 -0.02 0.00 -2.05 0.00 0.00 46.19 45.38 1wfn s LEU 34 CO -0.09 -1.01 -0.18 -0.75 -0.55 0.00 0.00 176.35 173.76 1wfn s LYS 35 N -4.02 2.56 -0.05 1.48 2.36 -0.51 0.19 119.74 121.74 1wfn s LYS 35 Ca 0.24 -0.78 0.02 0.00 -2.55 0.00 0.00 55.97 52.90 1wfn s LYS 35 Cb 0.02 -2.31 -0.03 0.00 -1.05 0.00 0.00 37.83 34.46 1wfn s LYS 35 CO 0.07 0.51 -0.09 0.08 1.55 0.00 0.00 175.35 177.47 1wfn s VAL 36 N -0.46 3.52 0.07 4.02 1.01 0.61 -1.83 120.40 127.34 1wfn s VAL 36 Ca 0.05 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1wfn s VAL 36 Cb -0.12 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1wfn s VAL 36 CO 0.01 0.57 -0.06 -0.55 0.00 0.00 0.00 175.10 175.08 1wfn s SER 37 N -0.86 0.88 0.29 3.32 0.15 0.99 0.12 113.70 118.59 1wfn s SER 37 Ca 0.13 -0.91 -0.19 0.00 0.70 0.00 0.00 55.95 55.68 1wfn s SER 37 Cb -0.11 0.12 0.06 0.00 -1.71 0.00 0.00 66.02 64.38 1wfn s SER 37 CO 0.02 -0.46 0.90 -1.66 1.20 0.00 0.00 173.24 173.24 1wfn s TRP 38 N -3.27 0.09 0.44 3.44 -2.14 0.12 -0.67 118.94 116.94 1wfn s TRP 38 Ca 0.06 -0.64 0.02 0.00 2.66 0.00 0.00 56.10 58.21 1wfn s TRP 38 Cb 0.03 0.78 -0.01 0.00 -3.10 0.00 0.00 33.47 31.17 1wfn s TRP 38 CO -0.05 -1.28 0.09 1.04 -2.66 0.00 0.00 176.95 174.09 1wfn n GLN 39 N -0.60 0.67 -2.71 3.25 6.02 -1.26 -4.70 117.38 118.05 1wfn n GLN 39 Ca -0.06 -3.46 -0.39 0.00 -0.01 0.00 0.00 57.00 53.07 1wfn n GLN 39 Cb 0.60 1.49 -0.06 0.00 1.02 0.00 0.00 30.24 33.29 1wfn n GLN 39 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1wfn s GLU 40 N -3.62 4.75 0.49 -1.09 2.02 -1.26 0.16 118.70 120.15 1wfn s GLU 40 Ca 0.12 1.51 -0.20 0.00 0.02 0.00 0.00 54.97 56.42 1wfn s GLU 40 Cb 0.01 -3.15 -0.08 0.00 0.10 0.00 0.00 34.13 31.00 1wfn s GLU 40 CO 0.09 0.41 1.04 -1.25 0.02 0.00 0.00 175.26 175.56 1wfn s PRO 41 N -1.43 3.78 0.24 0.39 0.04 -1.26 -4.10 135.00 132.67 1wfn s PRO 41 Ca 0.44 1.35 0.09 0.00 0.04 0.00 0.00 61.00 62.91 1wfn s PRO 41 Cb -0.25 -2.09 0.25 0.00 0.04 0.00 0.00 34.50 32.44 1wfn s PRO 41 CO 0.32 -0.44 1.55 0.78 0.04 0.00 0.00 177.00 179.24 1wfn h GLY 42 N 1.51 0.05 -3.59 0.56 0.00 -1.92 -3.16 103.07 96.54 1wfn h GLY 42 Ca -0.49 -0.08 -0.28 0.00 0.00 0.00 0.00 47.33 46.48 1wfn h GLY 42 CO 0.59 0.07 0.28 1.18 0.00 0.00 0.00 176.54 178.66 1wfn n GLU 43 N -3.75 1.76 -0.57 4.80 -0.58 -1.26 -4.60 120.64 116.44 1wfn n GLU 43 Ca -0.01 -1.35 0.45 0.00 -0.42 0.00 0.00 57.16 55.83 1wfn n GLU 43 Cb 0.67 -1.61 0.73 0.00 -0.57 0.00 0.00 31.44 30.66 1wfn n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1wfn n LYS 44 N 0.80 -0.02 -2.26 3.49 5.02 -1.20 -3.58 118.16 120.40 1wfn n LYS 44 Ca 0.28 1.17 -0.02 0.00 -2.02 0.00 0.00 58.31 57.72 1wfn n LYS 44 Cb 0.58 -2.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.13 1wfn n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wfn n ASN 45 N -4.36 -1.39 0.00 4.39 3.02 -1.26 -4.01 115.26 111.65 1wfn n ASN 45 Ca 0.42 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 55.35 1wfn n ASN 45 Cb 1.75 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1wfn n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wfn n GLY 46 N -0.47 0.57 3.07 7.41 0.00 -1.26 -4.91 105.19 109.59 1wfn n GLY 46 Ca -0.03 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 1wfn n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfn s ILE 47 N -0.04 0.96 0.12 -0.61 -1.09 -1.26 -5.13 121.20 114.14 1wfn s ILE 47 Ca 0.00 -0.50 -0.23 0.00 -2.23 0.00 0.00 60.65 57.69 1wfn s ILE 47 Cb 0.00 -0.81 -0.07 0.00 -1.58 0.00 0.00 42.46 40.00 1wfn s ILE 47 CO 0.00 0.28 0.68 -0.76 -1.23 0.00 0.00 174.94 173.91 1wfn s LEU 48 N -0.18 4.56 0.00 2.97 2.01 -1.26 -4.06 118.68 122.72 1wfn s LEU 48 Ca 0.03 1.47 0.16 0.00 0.01 0.00 0.00 54.13 55.79 1wfn s LEU 48 Cb -0.06 -3.11 0.17 0.00 0.01 0.00 0.00 46.19 43.20 1wfn s LEU 48 CO -0.00 0.23 1.05 0.35 1.01 0.00 0.00 176.35 178.99 1wfn n THR 49 N 1.71 0.14 -1.26 5.49 -2.24 0.78 -4.56 114.28 114.34 1wfn n THR 49 Ca -0.08 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1wfn n THR 49 Cb 0.50 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 1wfn n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfn n GLY 50 N 0.90 -2.33 2.97 3.38 0.00 -1.13 -3.61 105.19 105.37 1wfn n GLY 50 Ca 0.10 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 1wfn n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wfn s TYR 51 N -2.32 0.33 -0.20 1.61 2.02 0.14 0.14 117.35 119.07 1wfn s TYR 51 Ca 0.00 -0.33 -0.05 0.00 -0.37 0.00 0.00 57.07 56.33 1wfn s TYR 51 Cb 0.00 -0.22 -0.02 0.00 -0.40 0.00 0.00 41.96 41.32 1wfn s TYR 51 CO 0.00 -0.09 -0.01 0.50 -1.57 0.00 0.00 175.55 174.38 1wfn s ARG 52 N -0.93 3.58 0.07 -0.62 3.52 0.10 -0.53 118.95 124.14 1wfn s ARG 52 Ca -0.08 -0.54 0.09 0.00 -0.13 0.00 0.00 55.73 55.07 1wfn s ARG 52 Cb -0.06 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.25 1wfn s ARG 52 CO -0.00 0.00 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.75 1wfn s ILE 53 N 1.02 2.42 -0.17 4.11 2.07 -1.05 0.10 121.20 129.70 1wfn s ILE 53 Ca 0.01 -1.43 -0.14 0.00 -1.41 0.00 0.00 60.65 57.69 1wfn s ILE 53 Cb -0.14 -2.01 0.05 0.00 0.13 0.00 0.00 42.46 40.48 1wfn s ILE 53 CO 0.01 0.27 0.43 -0.94 -1.91 0.00 0.00 174.94 172.81 1wfn s SER 54 N -1.57 -0.47 -0.12 4.50 1.04 -0.22 -1.85 113.70 115.01 1wfn s SER 54 Ca 0.14 0.89 -0.01 0.00 0.48 0.00 0.00 55.95 57.44 1wfn s SER 54 Cb -0.10 0.87 0.03 0.00 0.10 0.00 0.00 66.02 66.93 1wfn s SER 54 CO 0.05 -0.16 -0.04 -1.66 0.98 0.00 0.00 173.24 172.41 1wfn s TRP 55 N 0.45 1.24 -0.45 5.02 -2.14 -1.25 0.57 118.94 122.39 1wfn s TRP 55 Ca -0.02 -0.66 0.09 0.00 2.66 0.00 0.00 56.10 58.17 1wfn s TRP 55 Cb -0.04 -1.10 0.31 0.00 -3.10 0.00 0.00 33.47 29.53 1wfn s TRP 55 CO -0.02 -0.49 0.71 -0.85 -2.66 0.00 0.00 176.95 173.64 1wfn n GLU 56 N 5.00 1.54 0.00 3.25 0.28 -1.14 -2.94 120.64 126.63 1wfn n GLU 56 Ca -0.10 -3.79 0.00 0.00 -0.16 0.00 0.00 57.16 53.11 1wfn n GLU 56 Cb 0.49 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.62 1wfn n GLU 56 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1wfn n GLU 57 N 0.57 0.00 -0.01 3.44 1.02 -1.23 -3.52 120.64 120.92 1wfn n GLU 57 Ca 0.26 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.20 1wfn n GLU 57 Cb 0.54 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.82 1wfn n GLU 57 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1wfn n TYR 58 N 0.00 1.16 -2.68 -0.32 9.36 -0.01 0.03 117.16 124.70 1wfn n TYR 58 Ca 0.00 0.27 -0.08 0.00 3.32 0.00 0.00 57.90 61.41 1wfn n TYR 58 Cb 0.00 -1.16 0.05 0.00 -0.63 0.00 0.00 39.34 37.60 1wfn n TYR 58 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1wfn n ASN 59 N -3.40 0.79 -3.63 2.98 2.85 -1.26 -4.88 115.26 108.71 1wfn n ASN 59 Ca -0.30 -2.61 -0.09 0.00 -0.11 0.00 0.00 54.58 51.47 1wfn n ASN 59 Cb 1.05 -0.22 -0.10 0.00 1.24 0.00 0.00 39.78 41.75 1wfn n ASN 59 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1wfn s ARG 60 N -2.51 0.30 0.17 1.20 0.52 -1.23 -5.01 118.95 112.39 1wfn s ARG 60 Ca 0.26 0.94 0.19 0.00 -0.52 0.00 0.00 55.73 56.59 1wfn s ARG 60 Cb 0.44 0.19 -0.03 0.00 0.52 0.00 0.00 34.95 36.07 1wfn s ARG 60 CO 0.01 -0.30 1.05 1.15 0.02 0.00 0.00 175.30 177.23 1wfn h THR 61 N 6.19 0.38 -0.00 0.02 2.02 -1.95 -3.27 112.91 116.30 1wfn h THR 61 Ca -0.16 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.35 1wfn h THR 61 Cb 1.11 1.94 -0.00 0.00 -1.74 0.00 0.00 68.15 69.47 1wfn h THR 61 CO 0.14 0.22 0.01 -1.13 0.37 0.00 0.00 175.52 175.12 1wfn h ASN 62 N 0.00 0.00 -0.04 4.18 -1.24 -1.95 0.69 115.58 117.22 1wfn h ASN 62 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.93 1wfn h ASN 62 Cb 1.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.39 1wfn h ASN 62 CO 0.03 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 176.52 1wfn n THR 63 N -3.07 0.02 -2.11 -3.57 -2.24 -1.24 -4.95 114.28 97.13 1wfn n THR 63 Ca -0.03 -0.42 -0.36 0.00 -2.27 0.00 0.00 64.05 60.97 1wfn n THR 63 Cb 0.08 1.11 0.02 0.00 -2.10 0.00 0.00 70.33 69.44 1wfn n THR 63 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1wfn s ARG 64 N -1.98 3.30 0.05 -0.78 3.00 0.24 -4.03 118.95 118.76 1wfn s ARG 64 Ca 0.32 1.82 -0.11 0.00 -1.00 0.00 0.00 55.73 56.75 1wfn s ARG 64 Cb 0.20 -2.12 0.01 0.00 0.00 0.00 0.00 34.95 33.04 1wfn s ARG 64 CO 0.31 -0.94 0.25 0.54 0.00 0.00 0.00 175.30 175.46 1wfn s VAL 65 N -1.58 0.10 -0.18 7.11 0.11 -1.15 -4.92 120.40 119.89 1wfn s VAL 65 Ca 0.72 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1wfn s VAL 65 Cb -0.30 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.58 1wfn s VAL 65 CO 0.34 -0.47 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.61 1wfn s THR 66 N -2.83 1.76 0.19 5.04 2.01 -1.26 -3.81 115.64 116.74 1wfn s THR 66 Ca -0.03 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.17 1wfn s THR 66 Cb 0.00 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1wfn s THR 66 CO -0.05 0.37 -0.14 -1.00 -0.69 0.00 0.00 174.62 173.11 1wfn s HIS 67 N 1.39 1.64 -0.01 4.92 3.76 -0.77 -5.03 115.29 121.18 1wfn s HIS 67 Ca 0.02 -0.58 0.03 0.00 -0.15 0.00 0.00 55.06 54.38 1wfn s HIS 67 Cb -0.14 -0.78 -0.00 0.00 1.11 0.00 0.00 32.58 32.76 1wfn s HIS 67 CO -0.10 0.30 -0.10 0.71 -0.85 0.00 0.00 174.74 174.70 1wfn s TYR 68 N -2.83 0.91 0.15 1.40 2.02 -1.26 -2.53 117.35 115.20 1wfn s TYR 68 Ca 0.20 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.76 1wfn s TYR 68 Cb -0.01 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 40.90 1wfn s TYR 68 CO 0.06 -0.04 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.38 1wfn s LEU 69 N -0.10 2.53 0.99 -1.29 1.43 0.30 -4.95 118.68 117.59 1wfn s LEU 69 Ca 0.02 -1.02 -0.15 0.00 -1.03 0.00 0.00 54.13 51.95 1wfn s LEU 69 Cb -0.05 -0.37 0.18 0.00 0.03 0.00 0.00 46.19 45.98 1wfn s LEU 69 CO -0.00 -0.32 1.17 -2.16 0.23 0.00 0.00 176.35 175.27 1wfn s PRO 70 N -3.74 0.52 -0.04 1.29 0.04 -1.26 0.25 135.00 132.06 1wfn s PRO 70 Ca 0.17 0.06 0.03 0.00 0.04 0.00 0.00 61.00 61.30 1wfn s PRO 70 Cb 0.02 -1.79 0.15 0.00 0.04 0.00 0.00 34.50 32.92 1wfn s PRO 70 CO 0.01 -2.57 0.75 0.27 0.04 0.00 0.00 177.00 175.50 1wfn n ASN 71 N -3.98 1.80 -0.00 6.66 6.94 -1.24 -2.74 115.26 122.70 1wfn n ASN 71 Ca 0.10 -2.16 0.02 0.00 -0.02 0.00 0.00 54.58 52.52 1wfn n ASN 71 Cb 0.59 -0.51 -0.03 0.00 -2.36 0.00 0.00 39.78 37.47 1wfn n ASN 71 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1wfn n VAL 72 N 0.10 0.00 -4.43 3.53 0.24 -1.26 -4.91 118.33 111.60 1wfn n VAL 72 Ca 0.05 -0.16 -0.34 0.00 -2.04 0.00 0.00 64.34 61.85 1wfn n VAL 72 Cb 0.41 0.51 -0.10 0.00 -1.47 0.00 0.00 33.84 33.19 1wfn n VAL 72 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wfn s THR 73 N -2.15 4.04 0.00 3.34 2.01 -1.11 -4.98 115.64 116.80 1wfn s THR 73 Ca -0.01 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1wfn s THR 73 Cb 0.03 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.82 1wfn s THR 73 CO 0.19 0.53 0.59 0.18 -0.69 0.00 0.00 174.62 175.41 1wfn n LEU 74 N 1.93 0.75 -4.08 4.42 4.77 -1.26 -4.70 117.00 118.82 1wfn n LEU 74 Ca -0.17 -0.75 -0.09 0.00 -0.03 0.00 0.00 56.01 54.97 1wfn n LEU 74 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1wfn n LEU 74 CO 0.29 0.19 -0.37 -1.83 -1.33 0.00 0.00 177.39 174.34 1wfn s GLU 75 N -0.32 0.58 -0.09 3.23 1.03 -1.26 0.15 118.70 122.03 1wfn s GLU 75 Ca 0.00 -1.06 -0.30 0.00 0.03 0.00 0.00 54.97 53.65 1wfn s GLU 75 Cb 0.00 0.04 0.07 0.00 -0.80 0.00 0.00 34.13 33.44 1wfn s GLU 75 CO 0.00 -0.06 0.68 -0.47 -1.33 0.00 0.00 175.26 174.08 1wfn s TYR 76 N -3.02 -0.67 -0.22 4.83 5.04 0.32 -4.95 117.35 118.68 1wfn s TYR 76 Ca 0.01 1.24 -0.13 0.00 -2.44 0.00 0.00 57.07 55.75 1wfn s TYR 76 Cb 0.01 0.38 -0.05 0.00 0.35 0.00 0.00 41.96 42.66 1wfn s TYR 76 CO -0.06 -0.57 0.26 0.50 -1.34 0.00 0.00 175.55 174.35 1wfn s ARG 77 N -0.93 4.13 0.12 4.97 3.00 -1.26 0.22 118.95 129.20 1wfn s ARG 77 Ca -0.09 -0.06 0.02 0.00 -1.00 0.00 0.00 55.73 54.60 1wfn s ARG 77 Cb -0.01 -3.52 -0.04 0.00 0.00 0.00 0.00 34.95 31.38 1wfn s ARG 77 CO 0.08 0.05 0.24 0.08 0.00 0.00 0.00 175.30 175.75 1wfn s VAL 78 N 1.08 5.23 0.09 7.11 1.01 0.51 -4.96 120.40 130.48 1wfn s VAL 78 Ca 0.13 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 1wfn s VAL 78 Cb -0.14 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1wfn s VAL 78 CO 0.05 -0.02 0.33 0.42 0.00 0.00 0.00 175.10 175.88 1wfn s THR 79 N -1.66 0.09 0.00 3.92 -4.23 -1.26 -1.16 115.64 111.34 1wfn s THR 79 Ca 0.34 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1wfn s THR 79 Cb -0.12 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.59 1wfn s THR 79 CO 0.28 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 1wfn n GLY 80 N 0.07 0.78 0.00 3.99 0.00 0.80 -4.96 105.19 105.87 1wfn n GLY 80 Ca -0.17 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1wfn n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wfn n LEU 81 N -0.14 0.00 -4.11 0.99 4.77 -0.66 -5.06 117.00 112.80 1wfn n LEU 81 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1wfn n LEU 81 Cb 0.40 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.34 1wfn n LEU 81 CO 0.00 0.00 -0.48 -0.89 -1.33 0.00 0.00 177.39 174.69 1wfn s THR 82 N 1.64 1.16 0.43 -5.08 2.01 -1.24 -4.69 115.64 109.86 1wfn s THR 82 Ca 0.00 -0.61 -0.25 0.00 0.31 0.00 0.00 61.69 61.14 1wfn s THR 82 Cb 0.00 -0.97 -0.08 0.00 0.01 0.00 0.00 72.50 71.45 1wfn s THR 82 CO 0.00 0.33 1.30 0.00 -0.69 0.00 0.00 174.62 175.56 1wfn s ALA 83 N -0.22 3.18 -1.28 7.40 0.00 0.46 -3.08 121.76 128.23 1wfn s ALA 83 Ca 0.03 1.21 -0.28 0.00 0.00 0.00 0.00 51.96 52.92 1wfn s ALA 83 Cb -0.07 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.60 1wfn s ALA 83 CO -0.00 -0.87 0.56 1.28 0.00 0.00 0.00 175.76 176.73 1wfn n LEU 84 N -0.06 -0.41 -3.82 0.00 4.77 -1.26 -4.94 117.00 111.28 1wfn n LEU 84 Ca 0.05 -1.29 -0.13 0.00 -0.03 0.00 0.00 56.01 54.60 1wfn n LEU 84 Cb 0.44 -1.63 -0.14 0.00 -2.33 0.00 0.00 43.42 39.76 1wfn n LEU 84 CO 0.55 0.75 -0.30 -0.89 -1.33 0.00 0.00 177.39 176.16 1wfn s THR 85 N -3.69 -0.02 0.21 -5.08 2.01 -1.18 -4.92 115.64 102.98 1wfn s THR 85 Ca 0.40 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 1wfn s THR 85 Cb -0.22 -0.10 -0.08 0.00 0.01 0.00 0.00 72.50 72.10 1wfn s THR 85 CO 0.98 0.03 1.00 -0.89 -0.69 0.00 0.00 174.62 175.05 1wfn s THR 86 N 0.42 4.00 0.04 -0.82 2.01 -1.26 -1.24 115.64 118.79 1wfn s THR 86 Ca -0.03 1.89 0.03 0.00 0.31 0.00 0.00 61.69 63.89 1wfn s THR 86 Cb -0.05 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1wfn s THR 86 CO -0.01 0.40 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.91 1wfn s TYR 87 N -0.80 0.80 -0.44 4.92 1.51 0.49 -0.83 117.35 123.01 1wfn s TYR 87 Ca 0.44 -0.39 -0.08 0.00 -1.01 0.00 0.00 57.07 56.03 1wfn s TYR 87 Cb -0.27 -0.48 0.10 0.00 -0.11 0.00 0.00 41.96 41.20 1wfn s TYR 87 CO 0.34 -0.03 0.28 0.99 -1.11 0.00 0.00 175.55 176.02 1wfn s THR 88 N -1.04 4.05 -0.33 -0.71 2.01 0.10 0.11 115.64 119.84 1wfn s THR 88 Ca -0.05 -1.65 -0.17 0.00 0.31 0.00 0.00 61.69 60.13 1wfn s THR 88 Cb -0.08 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1wfn s THR 88 CO 0.01 -0.63 0.48 -0.63 -0.69 0.00 0.00 174.62 173.15 1wfn s ILE 89 N 1.35 5.06 -0.26 1.82 -1.09 -0.77 -2.87 121.20 124.45 1wfn s ILE 89 Ca 0.05 0.40 -0.09 0.00 -2.23 0.00 0.00 60.65 58.77 1wfn s ILE 89 Cb -0.24 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1wfn s ILE 89 CO -0.00 -0.11 0.12 -1.61 -1.23 0.00 0.00 174.94 172.11 1wfn s GLU 90 N 2.29 3.81 -0.24 2.79 2.02 0.19 -1.05 118.70 128.51 1wfn s GLU 90 Ca 0.18 -0.40 -0.04 0.00 0.02 0.00 0.00 54.97 54.73 1wfn s GLU 90 Cb -0.16 -3.47 -0.00 0.00 0.10 0.00 0.00 34.13 30.60 1wfn s GLU 90 CO 0.12 -0.16 -0.02 0.08 0.02 0.00 0.00 175.26 175.31 1wfn s VAL 91 N 1.60 3.46 0.32 2.63 1.01 -0.16 -1.05 120.40 128.20 1wfn s VAL 91 Ca 0.07 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.55 1wfn s VAL 91 Cb -0.15 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 1wfn s VAL 91 CO 0.07 0.32 -0.12 0.00 0.00 0.00 0.00 175.10 175.37 1wfn s ALA 92 N 1.47 2.92 0.38 5.51 0.00 0.28 -0.06 121.76 132.26 1wfn s ALA 92 Ca 0.04 -1.97 0.08 0.00 0.00 0.00 0.00 51.96 50.11 1wfn s ALA 92 Cb -0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1wfn s ALA 92 CO -0.02 0.16 0.41 0.00 0.00 0.00 0.00 175.76 176.32 1wfn s ALA 93 N -2.55 4.14 -0.03 0.00 0.00 -1.25 0.01 121.76 122.08 1wfn s ALA 93 Ca 0.32 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 1wfn s ALA 93 Cb -0.01 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.84 1wfn s ALA 93 CO 0.16 -0.15 0.06 -1.64 0.00 0.00 0.00 175.76 174.20 1wfn s MET 94 N -4.15 0.01 0.00 0.00 -1.94 0.12 -2.60 119.30 110.74 1wfn s MET 94 Ca 0.47 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.66 1wfn s MET 94 Cb -0.06 -0.18 0.00 0.00 2.01 0.00 0.00 34.83 36.60 1wfn s MET 94 CO 0.29 -0.14 0.00 0.25 -0.01 0.00 0.00 175.02 175.41 1wfn n THR 95 N 3.97 0.00 1.93 2.05 -2.24 0.14 0.27 114.28 120.41 1wfn n THR 95 Ca -0.25 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.61 1wfn n THR 95 Cb 0.52 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.18 1wfn n THR 95 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wfn n SER 96 N -0.68 0.14 -0.03 3.42 7.64 -1.26 -3.31 113.62 119.54 1wfn n SER 96 Ca 0.00 -1.56 -0.05 0.00 1.01 0.00 0.00 58.87 58.27 1wfn n SER 96 Cb 0.00 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 1wfn n SER 96 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1wfn n LYS 97 N -0.64 0.26 -1.95 1.43 -0.00 -1.26 -5.14 118.16 110.86 1wfn n LYS 97 Ca 0.11 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1wfn n LYS 97 Cb 0.07 -1.14 0.00 0.00 -0.00 0.00 0.00 35.03 33.97 1wfn n LYS 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wfn n GLY 98 N 3.16 -0.51 3.90 2.58 0.00 -1.21 -5.06 105.19 108.05 1wfn n GLY 98 Ca -0.12 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1wfn n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wfn s GLN 99 N -1.81 3.46 0.00 1.61 0.74 -1.26 0.26 119.66 122.66 1wfn s GLN 99 Ca 0.00 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.16 1wfn s GLN 99 Cb 0.00 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 31.00 1wfn s GLN 99 CO 0.00 0.69 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 1wfn n GLY 100 N 1.16 2.86 2.89 2.59 0.00 -1.07 -4.82 105.19 108.80 1wfn n GLY 100 Ca -0.13 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 43.83 1wfn n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wfn n GLN 101 N 0.00 -1.53 -3.84 1.61 7.27 -0.79 -4.62 117.38 115.49 1wfn n GLN 101 Ca 0.00 -0.73 -0.10 0.00 0.07 0.00 0.00 57.00 56.23 1wfn n GLN 101 Cb 0.00 -1.43 -0.08 0.00 2.41 0.00 0.00 30.24 31.14 1wfn n GLN 101 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1wfn s VAL 102 N -2.00 0.11 -0.33 1.69 0.11 -1.26 -3.81 120.40 114.90 1wfn s VAL 102 Ca 0.34 -0.89 0.03 0.00 -2.93 0.00 0.00 61.98 58.53 1wfn s VAL 102 Cb -0.06 -0.93 0.09 0.00 -1.53 0.00 0.00 36.38 33.95 1wfn s VAL 102 CO 0.28 -0.49 0.04 -0.44 -3.33 0.00 0.00 175.10 171.16 1wfn s SER 103 N -2.12 4.77 -0.31 3.54 0.01 0.92 -4.81 113.70 115.69 1wfn s SER 103 Ca -0.05 -2.03 -0.16 0.00 1.31 0.00 0.00 55.95 55.03 1wfn s SER 103 Cb -0.01 -1.64 -0.02 0.00 0.21 0.00 0.00 66.02 64.56 1wfn s SER 103 CO -0.04 -0.37 0.39 0.00 0.41 0.00 0.00 173.24 173.64 1wfn s ALA 104 N 0.95 3.52 -0.10 1.44 0.00 -1.25 -0.99 121.76 125.33 1wfn s ALA 104 Ca 0.08 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1wfn s ALA 104 Cb -0.19 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1wfn s ALA 104 CO -0.07 -0.93 -0.22 -1.12 0.00 0.00 0.00 175.76 173.42 1wfn s SER 105 N 1.70 2.91 -0.03 0.00 0.01 -0.22 -4.90 113.70 113.16 1wfn s SER 105 Ca 0.14 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 1wfn s SER 105 Cb -0.16 -1.33 -0.03 0.00 0.21 0.00 0.00 66.02 64.71 1wfn s SER 105 CO 0.11 0.13 1.12 -0.89 0.41 0.00 0.00 173.24 174.13 1wfn s THR 106 N 0.44 4.43 -0.03 1.44 2.01 -1.26 -1.85 115.64 120.83 1wfn s THR 106 Ca -0.17 1.74 0.01 0.00 0.31 0.00 0.00 61.69 63.58 1wfn s THR 106 Cb -0.17 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.24 1wfn s THR 106 CO 0.07 0.05 -0.04 -0.51 -0.69 0.00 0.00 174.62 173.50 1wfn s ILE 107 N 1.74 0.44 -0.27 1.82 1.10 0.31 -4.88 121.20 121.46 1wfn s ILE 107 Ca 0.54 -0.12 -0.08 0.00 -0.51 0.00 0.00 60.65 60.48 1wfn s ILE 107 Cb -0.24 -0.46 -0.02 0.00 0.15 0.00 0.00 42.46 41.89 1wfn s ILE 107 CO 0.24 0.18 0.10 -0.55 -2.11 0.00 0.00 174.94 172.80 1wfn s SER 108 N 0.65 5.31 0.52 4.50 0.15 -1.26 0.19 113.70 123.75 1wfn s SER 108 Ca -0.08 -0.32 -0.15 0.00 0.70 0.00 0.00 55.95 56.10 1wfn s SER 108 Cb -0.11 -1.95 -0.13 0.00 -1.71 0.00 0.00 66.02 62.12 1wfn s SER 108 CO -0.00 -0.09 -0.24 -1.54 1.20 0.00 0.00 173.24 172.57 1wfn n SER 109 N 4.94 -3.53 0.00 5.45 3.41 -0.38 -4.82 113.62 118.70 1wfn n SER 109 Ca -0.15 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1wfn n SER 109 Cb 0.50 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1wfn n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfn n GLY 110 N 2.29 -1.84 3.64 5.00 0.00 0.55 -4.17 105.19 110.66 1wfn n GLY 110 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 1wfn n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfn s VAL 111 N 0.00 0.00 -0.03 1.61 0.11 0.14 -4.42 120.40 117.81 1wfn s VAL 111 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1wfn s VAL 111 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1wfn s VAL 111 CO 0.00 0.00 1.20 -2.16 -3.33 0.00 0.00 175.10 170.81 1wfn s PRO 112 N -0.19 4.37 0.88 1.54 0.04 -1.26 -4.02 135.00 136.35 1wfn s PRO 112 Ca 0.05 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.67 1wfn s PRO 112 Cb -0.04 -3.51 0.12 0.00 0.04 0.00 0.00 34.50 31.11 1wfn s PRO 112 CO -0.09 -0.40 1.13 -1.25 0.04 0.00 0.00 177.00 176.42 1wfn s PRO 113 N 1.94 1.43 0.28 0.56 0.04 -1.26 -4.96 135.00 133.02 1wfn s PRO 113 Ca 0.57 0.39 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1wfn s PRO 113 Cb -0.26 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1wfn s PRO 113 CO 0.24 -2.02 0.00 0.45 0.04 0.00 0.00 177.00 175.71 1wfn n SER 114 N -3.66 -2.52 -4.17 6.66 2.88 -1.26 -5.15 113.62 106.39 1wfn n SER 114 Ca 0.07 0.65 -0.14 0.00 -1.33 0.00 0.00 58.87 58.12 1wfn n SER 114 Cb 0.58 2.51 -0.11 0.00 -0.75 0.00 0.00 64.21 66.45 1wfn n SER 114 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfn s GLY 115 N -1.78 0.83 0.83 0.46 0.00 -1.26 -5.16 107.32 101.24 1wfn s GLY 115 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 44.72 43.39 1wfn s GLY 115 CO 0.00 -1.29 1.11 2.56 0.00 0.00 0.00 173.10 175.48 1wfn s PRO 116 N -2.96 1.81 -0.07 2.90 0.04 -1.26 -4.60 135.00 130.85 1wfn s PRO 116 Ca 0.06 0.53 -0.02 0.00 0.04 0.00 0.00 61.00 61.62 1wfn s PRO 116 Cb -0.02 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1wfn s PRO 116 CO -0.01 -1.79 0.04 0.43 0.04 0.00 0.00 177.00 175.71 1wfn n SER 117 N -3.53 -6.29 -3.87 6.66 7.64 -1.26 -4.94 113.62 108.04 1wfn n SER 117 Ca 0.07 0.88 -0.29 0.00 1.01 0.00 0.00 58.87 60.54 1wfn n SER 117 Cb 0.57 -2.64 -0.12 0.00 -1.01 0.00 0.00 64.21 61.00 1wfn n SER 117 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfn s SER 118 N -0.71 4.40 0.00 6.43 1.04 -1.26 -5.22 113.70 118.39 1wfn s SER 118 Ca -0.04 -3.52 0.00 0.00 0.48 0.00 0.00 55.95 52.87 1wfn s SER 118 Cb 0.00 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.60 1wfn s SER 118 CO 0.23 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.92