#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfn s SER 2 N 0.00 -0.18 -0.20 1.61 0.15 -1.26 -5.14 113.70 108.68 1wfn s SER 2 Ca 0.00 0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.94 1wfn s SER 2 Cb 0.00 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.73 1wfn s SER 2 CO 0.00 -0.18 -0.17 -0.55 1.20 0.00 0.00 173.24 173.55 1wfn s SER 3 N -0.34 3.55 0.00 5.45 0.15 -1.26 -5.04 113.70 116.21 1wfn s SER 3 Ca -0.04 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1wfn s SER 3 Cb -0.03 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1wfn s SER 3 CO 0.01 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1wfn n GLY 4 N 4.58 0.39 3.64 9.45 0.00 -1.26 -5.11 105.19 116.89 1wfn n GLY 4 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.00 -0.30 0.19 1.61 0.15 -1.26 -5.18 113.70 107.90 1wfn s SER 5 Ca 0.00 0.56 -0.22 0.00 0.70 0.00 0.00 55.95 56.98 1wfn s SER 5 Cb 0.00 0.72 0.06 0.00 -1.71 0.00 0.00 66.02 65.09 1wfn s SER 5 CO 0.00 -0.09 0.63 -0.94 1.20 0.00 0.00 173.24 174.04 1wfn s SER 6 N 0.46 -0.48 0.00 5.45 1.04 -1.26 -5.12 113.70 113.79 1wfn s SER 6 Ca 0.01 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1wfn s SER 6 Cb -0.04 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1wfn s SER 6 CO -0.11 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.64 1wfn n GLY 7 N -0.40 -2.04 3.68 7.32 0.00 -1.26 -5.14 105.19 107.35 1wfn n GLY 7 Ca -0.13 0.99 -0.42 0.00 0.00 0.00 0.00 46.02 46.46 1wfn n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfn s PRO 8 N 0.00 4.32 -0.32 1.61 0.04 -1.26 -4.97 135.00 134.42 1wfn s PRO 8 Ca 0.00 1.70 0.02 0.00 0.04 0.00 0.00 61.00 62.75 1wfn s PRO 8 Cb 0.00 -3.60 0.19 0.00 0.04 0.00 0.00 34.50 31.13 1wfn s PRO 8 CO 0.00 -0.51 0.73 -1.14 0.04 0.00 0.00 177.00 176.12 1wfn s GLN 9 N 2.48 0.50 0.20 4.56 0.74 -1.26 -5.16 119.66 121.72 1wfn s GLN 9 Ca 0.56 0.24 -0.04 0.00 0.05 0.00 0.00 55.36 56.18 1wfn s GLN 9 Cb -0.25 0.16 0.01 0.00 1.10 0.00 0.00 33.01 34.04 1wfn s GLN 9 CO 0.21 -0.85 0.33 1.28 -0.55 0.00 0.00 175.29 175.70 1wfn n LEU 10 N 5.00 0.00 -4.89 3.68 4.77 -1.26 -5.17 117.00 119.13 1wfn n LEU 10 Ca 0.07 -1.49 -0.29 0.00 -0.03 0.00 0.00 56.01 54.27 1wfn n LEU 10 Cb 0.56 1.64 0.00 0.00 -2.33 0.00 0.00 43.42 43.29 1wfn n LEU 10 CO -0.07 -0.40 0.58 0.54 -1.33 0.00 0.00 177.39 176.71 1wfn s VAL 11 N -2.60 4.80 -0.19 4.08 0.11 -1.26 -5.06 120.40 120.29 1wfn s VAL 11 Ca 0.13 0.56 -0.07 0.00 -2.93 0.00 0.00 61.98 59.66 1wfn s VAL 11 Cb -0.01 -3.86 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 1wfn s VAL 11 CO 0.09 -0.98 0.06 -0.13 -3.33 0.00 0.00 175.10 170.81 1wfn s ARG 12 N -4.92 3.94 0.00 1.54 3.00 -1.26 -5.09 118.95 116.16 1wfn s ARG 12 Ca 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 55.73 55.88 1wfn s ARG 12 Cb -0.11 -3.23 0.00 0.00 0.00 0.00 0.00 34.95 31.62 1wfn s ARG 12 CO 0.49 0.22 0.00 0.25 0.00 0.00 0.00 175.30 176.26 1wfn n THR 13 N 3.69 0.00 -3.69 0.02 -2.24 -1.26 -5.15 114.28 105.65 1wfn n THR 13 Ca -0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 1wfn n THR 13 Cb 0.52 -0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 1wfn n THR 13 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1wfn s HIS 14 N 0.48 -0.63 0.04 4.78 3.76 -1.26 -5.16 115.29 117.30 1wfn s HIS 14 Ca 0.00 1.33 0.01 0.00 -0.15 0.00 0.00 55.06 56.25 1wfn s HIS 14 Cb 0.00 0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.94 1wfn s HIS 14 CO 0.00 -0.36 -0.06 -1.21 -0.85 0.00 0.00 174.74 172.26 1wfn s GLU 15 N 1.56 0.52 0.10 1.40 2.02 -1.26 -5.06 118.70 117.98 1wfn s GLU 15 Ca -0.09 -0.84 -0.34 0.00 0.02 0.00 0.00 54.97 53.73 1wfn s GLU 15 Cb -0.09 -0.13 -0.14 0.00 0.10 0.00 0.00 34.13 33.87 1wfn s GLU 15 CO -0.13 0.00 1.54 0.22 0.02 0.00 0.00 175.26 176.91 1wfn h ASP 16 N 4.21 -1.57 -2.63 -0.19 3.58 -2.00 -3.42 116.42 114.40 1wfn h ASP 16 Ca -0.35 0.17 -0.49 0.00 0.42 0.00 0.00 57.03 56.78 1wfn h ASP 16 Cb 1.19 0.58 0.23 0.00 1.72 0.00 0.00 39.33 43.06 1wfn h ASP 16 CO 0.46 -0.53 -1.03 1.33 -2.88 0.00 0.00 179.24 176.59 1wfn n VAL 17 N -5.38 0.00 -1.52 2.25 0.24 -1.26 -4.73 118.33 107.93 1wfn n VAL 17 Ca -0.08 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.67 1wfn n VAL 17 Cb 0.40 -0.55 0.21 0.00 -1.47 0.00 0.00 33.84 32.43 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 -3.36 -0.22 0.00 7.34 0.04 -1.26 -4.85 135.00 132.69 1wfn s PRO 18 Ca 0.54 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1wfn s PRO 18 Cb -0.14 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1wfn s PRO 18 CO 0.67 -3.02 0.00 0.41 0.04 0.00 0.00 177.00 175.11 1wfn n GLY 19 N -2.39 2.78 3.76 0.56 0.00 -1.23 -1.40 105.19 107.27 1wfn n GLY 19 Ca 0.14 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 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 3.04 4.66 0.29 1.61 0.04 -1.26 -4.01 135.00 139.35 1wfn s PRO 20 Ca 0.00 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 1wfn s PRO 20 Cb 0.00 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 31.41 1wfn s PRO 20 CO 0.00 0.23 0.17 1.33 0.04 0.00 0.00 177.00 178.77 1wfn n VAL 21 N 1.36 0.00 0.00 -0.36 0.24 -1.26 -4.57 118.33 113.74 1wfn n VAL 21 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1wfn n VAL 21 Cb 0.45 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 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 -1.12 -1.67 2.75 7.63 0.00 -0.92 -4.78 105.19 107.07 1wfn n GLY 22 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.03 0.24 1.61 -3.43 -1.26 -4.89 115.29 107.53 1wfn s HIS 23 Ca 0.00 0.38 -0.31 0.00 -0.80 0.00 0.00 55.06 54.32 1wfn s HIS 23 Cb 0.00 -0.36 -0.13 0.00 -1.43 0.00 0.00 32.58 30.66 1wfn s HIS 23 CO 0.00 -0.21 1.49 1.28 -2.00 0.00 0.00 174.74 175.30 1wfn n LEU 24 N 5.14 3.47 -4.00 5.38 7.99 -1.26 -4.48 117.00 129.23 1wfn n LEU 24 Ca -0.07 1.13 -0.09 0.00 -0.01 0.00 0.00 56.01 56.97 1wfn n LEU 24 Cb 0.50 -1.48 -0.08 0.00 -0.11 0.00 0.00 43.42 42.25 1wfn n LEU 24 CO 0.08 -0.28 -0.17 -0.55 -1.51 0.00 0.00 177.39 174.95 1wfn s SER 25 N 0.44 0.22 0.04 -1.43 0.15 -0.28 -4.98 113.70 107.85 1wfn s SER 25 Ca 0.68 -0.91 -0.11 0.00 0.70 0.00 0.00 55.95 56.32 1wfn s SER 25 Cb -0.61 0.33 0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1wfn s SER 25 CO 0.48 -0.75 0.23 -0.36 1.20 0.00 0.00 173.24 174.04 1wfn s PHE 26 N -3.94 -0.00 -0.03 3.44 0.08 -1.26 -0.53 117.98 115.74 1wfn s PHE 26 Ca 0.13 -0.17 -0.26 0.00 0.12 0.00 0.00 56.93 56.75 1wfn s PHE 26 Cb 0.06 0.01 0.06 0.00 -0.57 0.00 0.00 43.02 42.58 1wfn s PHE 26 CO -0.05 -0.44 0.57 -1.12 -0.10 0.00 0.00 175.22 174.08 1wfn s SER 27 N -2.02 -0.52 -0.90 1.36 0.01 0.34 -4.96 113.70 107.01 1wfn s SER 27 Ca -0.06 0.49 -0.00 0.00 1.31 0.00 0.00 55.95 57.69 1wfn s SER 27 Cb -0.01 0.48 -0.00 0.00 0.21 0.00 0.00 66.02 66.69 1wfn s SER 27 CO -0.03 -0.59 0.75 -0.62 0.41 0.00 0.00 173.24 173.16 1wfn n GLU 28 N 0.91 -4.79 -2.90 12.44 -0.58 -1.26 -2.16 120.64 122.30 1wfn n GLU 28 Ca -0.20 0.65 -0.40 0.00 -0.42 0.00 0.00 57.16 56.79 1wfn n GLU 28 Cb 0.57 -5.04 -0.05 0.00 -0.57 0.00 0.00 31.44 26.35 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 -3.27 4.49 0.00 -3.67 1.01 -1.26 -4.24 121.20 114.26 1wfn s ILE 29 Ca 0.02 1.80 0.00 0.00 0.00 0.00 0.00 60.65 62.48 1wfn s ILE 29 Cb -0.00 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1wfn s ILE 29 CO 0.55 0.42 0.00 0.18 0.00 0.00 0.00 174.94 176.09 1wfn n LEU 30 N 2.29 0.00 -0.05 2.97 7.99 0.19 -4.53 117.00 125.85 1wfn n LEU 30 Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.92 1wfn n LEU 30 Cb 0.49 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.73 1wfn n LEU 30 CO 0.48 0.00 -0.82 -0.90 -1.51 0.00 0.00 177.39 174.64 1wfn n ASP 31 N 0.00 2.74 -0.47 -1.43 5.75 -1.25 0.17 116.55 122.06 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 0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 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 -2.43 0.00 -3.77 2.12 -2.24 -1.26 -1.60 114.28 105.10 1wfn n THR 32 Ca -0.16 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1wfn n THR 32 Cb 0.79 0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.65 -0.13 -0.18 3.42 1.04 -1.26 -1.46 113.70 114.48 1wfn s SER 33 Ca 0.00 0.31 -0.26 0.00 0.48 0.00 0.00 55.95 56.48 1wfn s SER 33 Cb 0.00 0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.41 1wfn s SER 33 CO 0.00 -0.12 0.67 -1.48 0.98 0.00 0.00 173.24 173.29 1wfn s LEU 34 N 0.89 -0.59 -0.12 2.42 0.05 0.17 0.54 118.68 122.03 1wfn s LEU 34 Ca -0.07 1.11 -0.07 0.00 0.05 0.00 0.00 54.13 55.16 1wfn s LEU 34 Cb -0.09 2.39 -0.04 0.00 -2.05 0.00 0.00 46.19 46.40 1wfn s LEU 34 CO -0.05 -0.37 0.12 -0.75 -0.55 0.00 0.00 176.35 174.75 1wfn s LYS 35 N -0.23 3.43 0.27 1.48 2.36 -0.92 0.23 119.74 126.36 1wfn s LYS 35 Ca -0.04 -0.17 0.09 0.00 -2.55 0.00 0.00 55.97 53.30 1wfn s LYS 35 Cb -0.03 -3.15 -0.04 0.00 -1.05 0.00 0.00 37.83 33.55 1wfn s LYS 35 CO 0.04 0.74 0.02 0.54 1.55 0.00 0.00 175.35 178.24 1wfn s VAL 36 N -0.92 3.51 -0.18 4.02 0.11 0.42 -0.51 120.40 126.85 1wfn s VAL 36 Ca 0.14 -1.86 -0.12 0.00 -2.93 0.00 0.00 61.98 57.21 1wfn s VAL 36 Cb -0.12 -2.90 0.06 0.00 -1.53 0.00 0.00 36.38 31.89 1wfn s VAL 36 CO 0.03 -0.36 0.46 -0.94 -3.33 0.00 0.00 175.10 170.96 1wfn s SER 37 N -3.69 -0.55 0.33 3.54 1.04 0.31 -0.72 113.70 113.96 1wfn s SER 37 Ca 0.32 0.97 0.04 0.00 0.48 0.00 0.00 55.95 57.76 1wfn s SER 37 Cb -0.06 0.89 -0.04 0.00 0.10 0.00 0.00 66.02 66.92 1wfn s SER 37 CO 0.20 -0.19 0.16 -1.66 0.98 0.00 0.00 173.24 172.74 1wfn s TRP 38 N 1.04 1.67 0.50 5.02 -2.14 0.38 -1.13 118.94 124.28 1wfn s TRP 38 Ca -0.06 -1.36 0.02 0.00 2.66 0.00 0.00 56.10 57.36 1wfn s TRP 38 Cb -0.06 -0.93 -0.02 0.00 -3.10 0.00 0.00 33.47 29.36 1wfn s TRP 38 CO -0.09 -0.48 0.05 -0.65 -2.66 0.00 0.00 176.95 173.11 1wfn s GLN 39 N -3.76 2.17 0.04 3.25 -0.21 -1.26 -4.67 119.66 115.22 1wfn s GLN 39 Ca 0.34 -2.31 -0.30 0.00 0.02 0.00 0.00 55.36 53.10 1wfn s GLN 39 Cb 0.04 -1.62 -0.04 0.00 1.00 0.00 0.00 33.01 32.40 1wfn s GLN 39 CO 0.18 -0.34 0.98 -1.21 -2.12 0.00 0.00 175.29 172.77 1wfn s GLU 40 N -3.90 4.60 0.51 2.91 2.02 -1.26 -2.17 118.70 121.41 1wfn s GLU 40 Ca 0.13 1.44 -0.19 0.00 0.02 0.00 0.00 54.97 56.37 1wfn s GLU 40 Cb 0.02 -3.43 -0.08 0.00 0.10 0.00 0.00 34.13 30.75 1wfn s GLU 40 CO 0.07 0.04 1.04 -1.25 0.02 0.00 0.00 175.26 175.18 1wfn s PRO 41 N 0.66 3.72 0.31 0.39 0.04 -1.26 -4.36 135.00 134.49 1wfn s PRO 41 Ca 0.50 1.32 0.25 0.00 0.04 0.00 0.00 61.00 63.12 1wfn s PRO 41 Cb -0.22 -2.08 0.71 0.00 0.04 0.00 0.00 34.50 32.94 1wfn s PRO 41 CO 0.29 -0.50 1.73 0.78 0.04 0.00 0.00 177.00 179.34 1wfn h GLY 42 N 1.33 0.00 -3.69 0.56 0.00 -1.93 -3.18 103.07 96.16 1wfn h GLY 42 Ca -0.49 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.36 1wfn h GLY 42 CO 0.59 0.00 0.62 1.18 0.00 0.00 0.00 176.54 178.93 1wfn n GLU 43 N -2.59 2.19 -0.53 4.80 -0.58 -1.26 -4.63 120.64 118.04 1wfn n GLU 43 Ca 0.04 -2.46 0.43 0.00 -0.42 0.00 0.00 57.16 54.76 1wfn n GLU 43 Cb 0.44 -1.96 0.71 0.00 -0.57 0.00 0.00 31.44 30.06 1wfn n GLU 43 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1wfn h LYS 44 N 1.43 0.00 -7.04 3.49 1.57 -1.94 -3.27 116.57 110.81 1wfn h LYS 44 Ca 0.48 -0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.64 1wfn h LYS 44 Cb 1.40 -0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.55 1wfn h LYS 44 CO 1.10 0.00 -0.98 0.09 -0.57 0.00 0.00 179.45 179.10 1wfn n ASN 45 N -4.56 -0.22 0.00 0.86 3.02 -1.26 -4.43 115.26 108.67 1wfn n ASN 45 Ca 0.42 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1wfn n ASN 45 Cb 1.68 -1.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 -2.46 0.47 3.43 7.41 0.00 -1.26 -4.75 105.19 108.03 1wfn n GLY 46 Ca -0.28 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.17 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 -0.22 4.70 0.18 -0.61 -1.09 -1.26 -5.01 121.20 117.89 1wfn s ILE 47 Ca 0.00 -0.52 -0.32 0.00 -2.23 0.00 0.00 60.65 57.58 1wfn s ILE 47 Cb 0.00 -3.47 -0.12 0.00 -1.58 0.00 0.00 42.46 37.29 1wfn s ILE 47 CO 0.00 -0.04 1.75 0.18 -1.23 0.00 0.00 174.94 175.60 1wfn n LEU 48 N 5.01 3.93 0.06 2.97 4.77 -1.26 -2.98 117.00 129.50 1wfn n LEU 48 Ca -0.13 1.04 0.11 0.00 -0.03 0.00 0.00 56.01 57.00 1wfn n LEU 48 Cb 0.48 -1.55 -0.06 0.00 -2.33 0.00 0.00 43.42 39.96 1wfn n LEU 48 CO 0.35 0.14 -0.27 0.35 -1.33 0.00 0.00 177.39 176.64 1wfn n THR 49 N 4.16 0.37 0.00 -5.08 -2.24 0.62 -4.56 114.28 107.54 1wfn n THR 49 Ca 0.17 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1wfn n THR 49 Cb 0.35 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.22 0.70 3.38 3.38 0.00 -1.02 -3.53 105.19 109.31 1wfn n GLY 50 Ca -0.01 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.00 2.27 -0.20 1.61 2.02 0.25 0.22 117.35 121.51 1wfn s TYR 51 Ca 0.00 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.28 1wfn s TYR 51 Cb 0.00 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 1wfn s TYR 51 CO 0.00 0.30 -0.04 0.50 -1.57 0.00 0.00 175.55 174.74 1wfn s ARG 52 N -1.93 3.45 -0.02 -0.62 3.52 0.12 0.86 118.95 124.32 1wfn s ARG 52 Ca 0.13 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 1wfn s ARG 52 Cb -0.10 -2.98 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1wfn s ARG 52 CO 0.05 -0.09 -0.06 -1.50 -0.81 0.00 0.00 175.30 172.90 1wfn s ILE 53 N 1.20 3.76 -0.21 4.11 2.07 -0.77 0.15 121.20 131.51 1wfn s ILE 53 Ca 0.03 -0.66 -0.06 0.00 -1.41 0.00 0.00 60.65 58.55 1wfn s ILE 53 Cb -0.14 -2.61 0.10 0.00 0.13 0.00 0.00 42.46 39.93 1wfn s ILE 53 CO -0.01 0.45 0.41 -0.94 -1.91 0.00 0.00 174.94 172.94 1wfn s SER 54 N -1.27 -0.15 -0.24 4.50 1.04 0.98 -1.58 113.70 116.98 1wfn s SER 54 Ca 0.16 0.82 -0.08 0.00 0.48 0.00 0.00 55.95 57.34 1wfn s SER 54 Cb -0.11 1.30 -0.03 0.00 0.10 0.00 0.00 66.02 67.27 1wfn s SER 54 CO 0.06 -0.25 0.08 -1.66 0.98 0.00 0.00 173.24 172.45 1wfn s TRP 55 N 2.60 3.11 -0.01 5.02 -2.14 -1.26 0.18 118.94 126.44 1wfn s TRP 55 Ca 0.02 -0.31 0.01 0.00 2.66 0.00 0.00 56.10 58.48 1wfn s TRP 55 Cb -0.13 -2.23 -0.00 0.00 -3.10 0.00 0.00 33.47 28.02 1wfn s TRP 55 CO -0.13 -0.27 -0.05 -1.83 -2.66 0.00 0.00 176.95 172.01 1wfn s GLU 56 N 1.45 0.42 1.05 3.25 -1.05 -0.78 -3.24 118.70 119.80 1wfn s GLU 56 Ca 0.06 -0.16 -0.24 0.00 -0.15 0.00 0.00 54.97 54.48 1wfn s GLU 56 Cb -0.15 -0.42 -0.08 0.00 -0.44 0.00 0.00 34.13 33.04 1wfn s GLU 56 CO 0.04 0.08 -0.91 0.39 0.95 0.00 0.00 175.26 175.81 1wfn n GLU 57 N 3.10 -0.63 0.06 -4.83 -0.58 -1.22 -0.05 120.64 116.48 1wfn n GLU 57 Ca -0.14 -0.18 -0.13 0.00 -0.42 0.00 0.00 57.16 56.29 1wfn n GLU 57 Cb 0.57 -1.28 -0.08 0.00 -0.57 0.00 0.00 31.44 30.08 1wfn n GLU 57 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1wfn h TYR 58 N -1.42 -1.22 -2.11 -0.32 3.20 -0.89 -3.31 116.97 110.88 1wfn h TYR 58 Ca -0.45 0.04 -0.55 0.00 3.14 0.00 0.00 58.73 60.91 1wfn h TYR 58 Cb 1.38 0.53 -0.41 0.00 1.54 0.00 0.00 36.73 39.77 1wfn h TYR 58 CO 0.07 -0.46 -0.91 -1.71 -1.64 0.00 0.00 178.16 173.51 1wfn n ASN 59 N -4.81 2.22 -3.39 -2.11 2.85 -1.26 -4.91 115.26 103.85 1wfn n ASN 59 Ca -0.06 -3.20 -0.02 0.00 -0.11 0.00 0.00 54.58 51.19 1wfn n ASN 59 Cb 0.31 -0.62 -0.04 0.00 1.24 0.00 0.00 39.78 40.67 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 -2.43 0.50 0.24 1.20 0.52 -1.25 -5.01 118.95 112.71 1wfn s ARG 60 Ca 0.41 1.05 0.19 0.00 -0.52 0.00 0.00 55.73 56.86 1wfn s ARG 60 Cb 0.25 0.42 0.06 0.00 0.52 0.00 0.00 34.95 36.20 1wfn s ARG 60 CO -0.09 -0.46 1.21 1.15 0.02 0.00 0.00 175.30 177.13 1wfn h THR 61 N 6.06 0.33 0.00 0.02 2.02 -1.95 -3.24 112.91 116.15 1wfn h THR 61 Ca -0.20 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.44 1wfn h THR 61 Cb 1.14 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1wfn h THR 61 CO 0.20 0.19 0.00 0.78 0.37 0.00 0.00 175.52 177.06 1wfn h ASN 62 N 0.00 0.00 -0.78 4.18 2.35 -1.99 0.27 115.58 119.61 1wfn h ASN 62 Ca -0.04 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.18 1wfn h ASN 62 Cb 1.24 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 39.29 1wfn h ASN 62 CO 0.03 0.00 -0.02 0.35 -1.65 0.00 0.00 177.43 176.14 1wfn n THR 63 N -2.58 2.96 -3.53 2.81 -2.24 -1.22 -5.01 114.28 105.46 1wfn n THR 63 Ca -0.02 -3.40 -0.32 0.00 -2.27 0.00 0.00 64.05 58.03 1wfn n THR 63 Cb 0.05 -0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 67.26 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 -3.61 3.73 0.17 -0.78 3.00 0.08 -3.82 118.95 117.72 1wfn s ARG 64 Ca 0.55 0.13 0.05 0.00 -1.00 0.00 0.00 55.73 55.46 1wfn s ARG 64 Cb 0.45 -2.78 -0.05 0.00 0.00 0.00 0.00 34.95 32.58 1wfn s ARG 64 CO 0.02 0.41 -0.10 0.08 0.00 0.00 0.00 175.30 175.71 1wfn s VAL 65 N -1.69 1.27 -0.13 7.11 1.01 -1.20 -4.98 120.40 121.78 1wfn s VAL 65 Ca 0.43 -2.09 -0.04 0.00 0.00 0.00 0.00 61.98 60.28 1wfn s VAL 65 Cb -0.12 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.36 1wfn s VAL 65 CO 0.22 -0.67 0.07 -0.89 0.00 0.00 0.00 175.10 173.84 1wfn s THR 66 N -3.26 0.00 0.08 3.92 2.01 -1.26 -4.31 115.64 112.82 1wfn s THR 66 Ca 0.19 -0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.20 1wfn s THR 66 Cb 0.02 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 1wfn s THR 66 CO 0.03 -0.13 -0.13 -1.00 -0.69 0.00 0.00 174.62 172.70 1wfn s HIS 67 N 2.11 1.21 -0.12 4.92 3.76 -0.61 -5.03 115.29 121.52 1wfn s HIS 67 Ca 0.03 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 1wfn s HIS 67 Cb -0.15 -0.67 0.02 0.00 1.11 0.00 0.00 32.58 32.89 1wfn s HIS 67 CO -0.07 0.06 -0.12 0.71 -0.85 0.00 0.00 174.74 174.47 1wfn s TYR 68 N -1.60 1.81 0.28 1.40 2.02 -1.26 -1.84 117.35 118.16 1wfn s TYR 68 Ca 0.01 -0.90 0.10 0.00 -0.37 0.00 0.00 57.07 55.91 1wfn s TYR 68 Cb -0.08 -1.37 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 1wfn s TYR 68 CO 0.02 -0.52 -0.07 -0.51 -1.57 0.00 0.00 175.55 172.90 1wfn s LEU 69 N 1.32 2.96 1.07 -1.29 1.43 0.25 -4.95 118.68 119.46 1wfn s LEU 69 Ca -0.01 -0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 52.09 1wfn s LEU 69 Cb -0.14 -1.45 0.24 0.00 0.03 0.00 0.00 46.19 44.87 1wfn s LEU 69 CO -0.06 -0.02 1.22 -2.16 0.23 0.00 0.00 176.35 175.56 1wfn s PRO 70 N -3.62 -0.21 -0.06 1.29 0.04 -1.26 0.84 135.00 132.01 1wfn s PRO 70 Ca 0.31 -0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.17 1wfn s PRO 70 Cb -0.05 -1.73 0.24 0.00 0.04 0.00 0.00 34.50 33.00 1wfn s PRO 70 CO 0.18 -3.01 0.89 0.27 0.04 0.00 0.00 177.00 175.37 1wfn n ASN 71 N -4.23 2.30 -0.01 6.66 6.94 -1.23 -3.05 115.26 122.63 1wfn n ASN 71 Ca 0.14 -2.25 0.01 0.00 -0.02 0.00 0.00 54.58 52.46 1wfn n ASN 71 Cb 0.59 -0.52 -0.05 0.00 -2.36 0.00 0.00 39.78 37.44 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 0.18 0.14 -3.87 3.53 0.24 -1.26 -4.96 118.33 112.34 1wfn n VAL 72 Ca 0.08 -0.18 -0.35 0.00 -2.04 0.00 0.00 64.34 61.85 1wfn n VAL 72 Cb 0.50 -0.08 -0.08 0.00 -1.47 0.00 0.00 33.84 32.71 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 -2.32 5.26 0.00 3.34 2.01 -1.17 -4.94 115.64 117.81 1wfn s THR 73 Ca -0.02 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1wfn s THR 73 Cb 0.03 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1wfn s THR 73 CO 0.25 0.51 0.43 0.18 -0.69 0.00 0.00 174.62 175.29 1wfn n LEU 74 N 2.97 0.83 -4.10 4.42 4.77 -1.26 -4.71 117.00 119.93 1wfn n LEU 74 Ca -0.17 -0.83 -0.17 0.00 -0.03 0.00 0.00 56.01 54.80 1wfn n LEU 74 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 1wfn n LEU 74 CO 0.34 0.21 -0.44 -1.83 -1.33 0.00 0.00 177.39 174.34 1wfn s GLU 75 N -0.06 0.73 0.03 3.23 1.03 -1.26 0.14 118.70 122.55 1wfn s GLU 75 Ca 0.00 -0.69 -0.06 0.00 0.03 0.00 0.00 54.97 54.24 1wfn s GLU 75 Cb 0.00 -0.67 -0.01 0.00 -0.80 0.00 0.00 34.13 32.65 1wfn s GLU 75 CO 0.00 0.16 0.12 -0.47 -1.33 0.00 0.00 175.26 173.74 1wfn s TYR 76 N -0.93 0.16 -0.42 4.83 6.14 0.10 -4.92 117.35 122.31 1wfn s TYR 76 Ca -0.02 -0.42 -0.15 0.00 0.64 0.00 0.00 57.07 57.12 1wfn s TYR 76 Cb -0.08 -0.11 0.03 0.00 0.42 0.00 0.00 41.96 42.22 1wfn s TYR 76 CO 0.01 -0.37 0.32 0.50 0.64 0.00 0.00 175.55 176.64 1wfn s ARG 77 N -2.48 2.97 0.23 4.97 3.52 -1.26 0.16 118.95 127.06 1wfn s ARG 77 Ca -0.06 -1.08 -0.27 0.00 -0.13 0.00 0.00 55.73 54.19 1wfn s ARG 77 Cb -0.02 -4.00 -0.09 0.00 -1.56 0.00 0.00 34.95 29.28 1wfn s ARG 77 CO -0.04 -0.80 0.88 0.08 -0.81 0.00 0.00 175.30 174.61 1wfn s VAL 78 N 1.67 4.22 0.01 7.11 1.01 0.61 -4.90 120.40 130.14 1wfn s VAL 78 Ca 0.05 1.87 -0.19 0.00 0.00 0.00 0.00 61.98 63.70 1wfn s VAL 78 Cb -0.20 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1wfn s VAL 78 CO 0.09 0.41 0.42 0.42 0.00 0.00 0.00 175.10 176.44 1wfn s THR 79 N -1.29 0.05 0.00 3.92 -4.23 -1.26 -0.66 115.64 112.18 1wfn s THR 79 Ca 0.42 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1wfn s THR 79 Cb -0.23 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.75 1wfn s THR 79 CO 0.28 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1wfn n GLY 80 N 0.79 0.83 0.00 3.99 0.00 -0.53 -5.00 105.19 105.27 1wfn n GLY 80 Ca -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 0.00 -4.07 0.99 4.77 -1.05 -5.09 117.00 112.56 1wfn n LEU 81 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1wfn n LEU 81 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1wfn n LEU 81 CO 0.00 0.00 -0.41 -0.89 -1.33 0.00 0.00 177.39 174.76 1wfn s THR 82 N 0.25 0.62 0.29 -5.08 2.01 -1.25 -4.79 115.64 107.68 1wfn s THR 82 Ca 0.00 -1.02 -0.29 0.00 0.31 0.00 0.00 61.69 60.69 1wfn s THR 82 Cb 0.00 -0.65 -0.10 0.00 0.01 0.00 0.00 72.50 71.76 1wfn s THR 82 CO 0.00 -0.30 1.27 0.00 -0.69 0.00 0.00 174.62 174.91 1wfn s ALA 83 N -1.22 3.49 -1.28 7.40 0.00 -0.63 -3.19 121.76 126.34 1wfn s ALA 83 Ca -0.07 1.16 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 1wfn s ALA 83 Cb -0.09 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1wfn s ALA 83 CO 0.01 -0.53 0.56 1.28 0.00 0.00 0.00 175.76 177.07 1wfn n LEU 84 N 1.32 -1.15 -4.03 0.00 4.77 -1.26 -4.95 117.00 111.70 1wfn n LEU 84 Ca 0.01 -1.20 -0.17 0.00 -0.03 0.00 0.00 56.01 54.62 1wfn n LEU 84 Cb 0.42 -1.85 -0.14 0.00 -2.33 0.00 0.00 43.42 39.53 1wfn n LEU 84 CO 0.58 0.64 -0.42 -0.89 -1.33 0.00 0.00 177.39 175.96 1wfn s THR 85 N -3.71 0.67 -0.18 -5.08 2.01 -1.19 -4.92 115.64 103.24 1wfn s THR 85 Ca 0.35 -0.57 -0.26 0.00 0.31 0.00 0.00 61.69 61.52 1wfn s THR 85 Cb -0.17 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 1wfn s THR 85 CO 0.94 0.04 0.86 -0.89 -0.69 0.00 0.00 174.62 174.88 1wfn s THR 86 N -0.51 4.85 0.04 -0.82 2.01 -1.26 -0.53 115.64 119.42 1wfn s THR 86 Ca 0.00 1.68 0.05 0.00 0.31 0.00 0.00 61.69 63.73 1wfn s THR 86 Cb -0.05 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 1wfn s THR 86 CO 0.00 -0.01 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.47 1wfn s TYR 87 N 2.33 1.25 -0.29 4.92 1.51 0.42 -0.17 117.35 127.32 1wfn s TYR 87 Ca 0.39 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1wfn s TYR 87 Cb -0.16 -0.74 0.06 0.00 -0.11 0.00 0.00 41.96 41.01 1wfn s TYR 87 CO 0.11 0.04 -0.03 0.99 -1.11 0.00 0.00 175.55 175.55 1wfn s THR 88 N -0.88 2.68 -0.25 -0.71 2.01 0.92 0.19 115.64 119.61 1wfn s THR 88 Ca 0.02 -1.55 -0.23 0.00 0.31 0.00 0.00 61.69 60.24 1wfn s THR 88 Cb -0.08 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 1wfn s THR 88 CO 0.01 -0.13 0.74 -0.63 -0.69 0.00 0.00 174.62 173.92 1wfn s ILE 89 N 1.18 4.90 -0.31 1.82 -1.09 -0.75 -1.87 121.20 125.08 1wfn s ILE 89 Ca -0.05 1.35 -0.11 0.00 -2.23 0.00 0.00 60.65 59.61 1wfn s ILE 89 Cb -0.20 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 1wfn s ILE 89 CO -0.03 -0.03 0.19 -1.61 -1.23 0.00 0.00 174.94 172.23 1wfn s GLU 90 N 2.69 3.64 -0.29 2.79 2.02 0.47 -1.56 118.70 128.46 1wfn s GLU 90 Ca 0.31 -0.53 -0.05 0.00 0.02 0.00 0.00 54.97 54.71 1wfn s GLU 90 Cb -0.15 -3.68 0.02 0.00 0.10 0.00 0.00 34.13 30.42 1wfn s GLU 90 CO 0.08 -0.33 0.05 0.08 0.02 0.00 0.00 175.26 175.16 1wfn s VAL 91 N 1.71 3.67 0.34 2.63 1.01 0.21 -0.01 120.40 129.96 1wfn s VAL 91 Ca 0.06 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.28 1wfn s VAL 91 Cb -0.17 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1wfn s VAL 91 CO 0.09 0.06 0.16 0.00 0.00 0.00 0.00 175.10 175.42 1wfn s ALA 92 N 1.44 3.53 0.15 5.51 0.00 0.40 0.77 121.76 133.55 1wfn s ALA 92 Ca 0.01 -1.82 0.10 0.00 0.00 0.00 0.00 51.96 50.25 1wfn s ALA 92 Cb -0.17 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1wfn s ALA 92 CO 0.01 0.03 -0.20 0.00 0.00 0.00 0.00 175.76 175.60 1wfn s ALA 93 N -2.42 2.63 -0.02 0.00 0.00 -1.23 0.12 121.76 120.84 1wfn s ALA 93 Ca 0.38 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1wfn s ALA 93 Cb -0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1wfn s ALA 93 CO 0.23 0.52 -0.14 -1.64 0.00 0.00 0.00 175.76 174.73 1wfn s MET 94 N -2.39 1.18 0.00 0.00 1.00 0.59 -0.73 119.30 118.95 1wfn s MET 94 Ca 0.19 -0.48 0.00 0.00 0.00 0.00 0.00 55.69 55.40 1wfn s MET 94 Cb -0.09 -1.12 0.00 0.00 0.00 0.00 0.00 34.83 33.62 1wfn s MET 94 CO 0.10 0.27 0.00 0.25 0.00 0.00 0.00 175.02 175.64 1wfn n THR 95 N 2.86 0.00 1.32 2.05 -2.24 0.13 0.23 114.28 118.63 1wfn n THR 95 Ca -0.15 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.74 1wfn n THR 95 Cb 0.55 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 69.42 1wfn n THR 95 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wfn n SER 96 N -0.47 0.00 -0.09 3.42 3.41 -1.16 -3.04 113.62 115.69 1wfn n SER 96 Ca 0.00 -0.52 -0.15 0.00 -0.26 0.00 0.00 58.87 57.94 1wfn n SER 96 Cb 0.00 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 63.80 1wfn n SER 96 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1wfn n LYS 97 N -1.09 0.39 -3.60 4.33 3.00 -1.26 -5.12 118.16 114.81 1wfn n LYS 97 Ca 0.15 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 1wfn n LYS 97 Cb 0.11 -1.23 0.00 0.00 0.00 0.00 0.00 35.03 33.91 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 2.30 -0.50 3.85 3.14 0.00 -1.17 -5.06 105.19 107.75 1wfn n GLY 98 Ca -0.32 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.79 3.98 0.00 1.61 0.74 -1.26 0.21 119.66 123.15 1wfn s GLN 99 Ca 0.00 0.50 0.00 0.00 0.05 0.00 0.00 55.36 55.91 1wfn s GLN 99 Cb 0.00 -2.86 0.00 0.00 1.10 0.00 0.00 33.01 31.25 1wfn s GLN 99 CO 0.00 0.43 0.00 0.41 -0.55 0.00 0.00 175.29 175.58 1wfn n GLY 100 N 0.61 5.27 3.06 2.59 0.00 0.09 -4.77 105.19 112.04 1wfn n GLY 100 Ca -0.04 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.19 -4.10 1.61 7.27 -0.49 -4.51 117.38 116.97 1wfn n GLN 101 Ca 0.00 -0.05 -0.16 0.00 0.07 0.00 0.00 57.00 56.86 1wfn n GLN 101 Cb 0.00 -1.14 -0.15 0.00 2.41 0.00 0.00 30.24 31.36 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 -2.06 0.34 -0.44 1.69 0.11 -1.26 -3.55 120.40 115.22 1wfn s VAL 102 Ca 0.41 -0.16 -0.14 0.00 -2.93 0.00 0.00 61.98 59.17 1wfn s VAL 102 Cb -0.05 -0.30 0.06 0.00 -1.53 0.00 0.00 36.38 34.56 1wfn s VAL 102 CO 0.73 0.11 0.34 -0.44 -3.33 0.00 0.00 175.10 172.50 1wfn s SER 103 N 0.03 5.98 -0.26 3.54 0.01 0.23 -4.84 113.70 118.40 1wfn s SER 103 Ca 0.00 -1.30 -0.08 0.00 1.31 0.00 0.00 55.95 55.89 1wfn s SER 103 Cb -0.03 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 1wfn s SER 103 CO -0.00 -0.58 0.08 0.00 0.41 0.00 0.00 173.24 173.15 1wfn s ALA 104 N 1.59 3.17 -0.11 1.44 0.00 -1.25 0.65 121.76 127.25 1wfn s ALA 104 Ca 0.04 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.87 1wfn s ALA 104 Cb -0.23 -2.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 1wfn s ALA 104 CO 0.06 -0.54 -0.23 -1.12 0.00 0.00 0.00 175.76 173.93 1wfn s SER 105 N 1.61 3.19 -0.00 0.00 0.01 -0.60 -4.92 113.70 113.00 1wfn s SER 105 Ca 0.06 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 1wfn s SER 105 Cb -0.15 -1.44 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 1wfn s SER 105 CO 0.04 0.15 1.11 -0.89 0.41 0.00 0.00 173.24 174.06 1wfn s THR 106 N 0.38 4.42 -0.07 1.44 2.01 -1.26 -1.81 115.64 120.75 1wfn s THR 106 Ca -0.17 1.73 -0.05 0.00 0.31 0.00 0.00 61.69 63.51 1wfn s THR 106 Cb -0.18 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.25 1wfn s THR 106 CO 0.08 0.09 0.18 -0.51 -0.69 0.00 0.00 174.62 173.77 1wfn s ILE 107 N 1.39 -0.02 -0.23 1.82 1.10 0.51 -4.97 121.20 120.80 1wfn s ILE 107 Ca 0.55 0.08 -0.08 0.00 -0.51 0.00 0.00 60.65 60.70 1wfn s ILE 107 Cb -0.25 -0.27 -0.03 0.00 0.15 0.00 0.00 42.46 42.06 1wfn s ILE 107 CO 0.26 0.03 0.08 -0.55 -2.11 0.00 0.00 174.94 172.65 1wfn s SER 108 N 0.65 5.33 0.52 4.50 0.15 -1.26 0.16 113.70 123.75 1wfn s SER 108 Ca -0.05 -0.11 -0.17 0.00 0.70 0.00 0.00 55.95 56.32 1wfn s SER 108 Cb -0.06 -1.95 -0.14 0.00 -1.71 0.00 0.00 66.02 62.16 1wfn s SER 108 CO -0.03 0.02 -0.18 -1.54 1.20 0.00 0.00 173.24 172.71 1wfn n SER 109 N 4.54 -3.68 0.00 5.45 3.41 0.31 -4.85 113.62 118.80 1wfn n SER 109 Ca -0.16 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1wfn n SER 109 Cb 0.52 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 2.46 -1.64 3.64 5.00 0.00 0.45 -4.27 105.19 110.83 1wfn n GLY 110 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.01 1.61 0.11 0.15 -4.47 120.40 117.80 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 -0.12 4.39 -0.47 1.54 0.04 -1.26 -3.95 135.00 135.17 1wfn s PRO 112 Ca 0.07 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 1wfn s PRO 112 Cb -0.04 -3.48 -0.15 0.00 0.04 0.00 0.00 34.50 30.87 1wfn s PRO 112 CO -0.12 -0.37 2.70 -0.35 0.04 0.00 0.00 177.00 178.90 1wfn n PRO 113 N 4.70 1.98 -2.73 0.56 -0.04 -1.26 -4.84 135.00 133.37 1wfn n PRO 113 Ca 0.10 -1.14 -0.43 0.00 -0.04 0.00 0.00 63.50 62.00 1wfn n PRO 113 Cb 0.46 -2.15 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 1wfn n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfn s SER 114 N 2.50 6.38 0.00 3.54 0.15 -1.26 -4.85 113.70 120.16 1wfn s SER 114 Ca 0.51 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1wfn s SER 114 Cb 0.20 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1wfn s SER 114 CO -0.02 -1.34 0.00 0.61 1.20 0.00 0.00 173.24 173.69 1wfn n GLY 115 N 5.10 -0.53 3.19 9.45 0.00 -1.26 -5.01 105.19 116.13 1wfn n GLY 115 Ca 0.04 -1.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 1wfn n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfn n PRO 116 N -0.56 -1.98 -1.41 1.61 -0.04 -1.26 -4.92 135.00 126.44 1wfn n PRO 116 Ca 0.00 -1.65 0.17 0.00 -0.04 0.00 0.00 63.50 61.97 1wfn n PRO 116 Cb 0.00 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 1wfn n PRO 116 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfn n SER 117 N -4.17 -7.67 -2.96 3.54 2.88 -1.26 -4.94 113.62 99.04 1wfn n SER 117 Ca 0.14 1.45 -0.00 0.00 -1.33 0.00 0.00 58.87 59.12 1wfn n SER 117 Cb 0.51 -4.87 -0.00 0.00 -0.75 0.00 0.00 64.21 59.09 1wfn n SER 117 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfn n SER 118 N -4.26 -6.75 0.00 -3.46 2.88 -1.26 -4.99 113.62 95.78 1wfn n SER 118 Ca -0.09 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1wfn n SER 118 Cb 0.67 -3.29 0.00 0.00 -0.75 0.00 0.00 64.21 60.83 1wfn n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42