#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 -0.26 -0.12 1.61 0.15 -1.26 -5.16 113.70 108.67 1wfn s SER 2 Ca 0.00 0.46 0.02 0.00 0.70 0.00 0.00 55.95 57.13 1wfn s SER 2 Cb 0.00 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.78 1wfn s SER 2 CO 0.00 -0.12 -0.16 -0.44 1.20 0.00 0.00 173.24 173.72 1wfn s SER 3 N -0.14 2.56 0.00 5.45 0.01 -1.26 -5.13 113.70 115.20 1wfn s SER 3 Ca 0.05 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1wfn s SER 3 Cb -0.04 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 65.04 1wfn s SER 3 CO -0.09 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1wfn n GLY 4 N 4.25 3.44 3.64 3.44 0.00 -1.26 -5.16 105.19 113.54 1wfn n GLY 4 Ca -0.19 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.78 -0.83 -0.47 1.61 0.15 -1.26 -5.11 113.70 107.00 1wfn s SER 5 Ca 0.00 1.36 -0.28 0.00 0.70 0.00 0.00 55.95 57.73 1wfn s SER 5 Cb 0.00 1.35 -0.00 0.00 -1.71 0.00 0.00 66.02 65.65 1wfn s SER 5 CO 0.00 -0.22 1.62 -0.55 1.20 0.00 0.00 173.24 175.30 1wfn s SER 6 N 1.41 5.92 0.00 5.45 0.15 -1.26 -4.79 113.70 120.58 1wfn s SER 6 Ca -0.08 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1wfn s SER 6 Cb -0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1wfn s SER 6 CO -0.16 -1.79 0.00 0.61 1.20 0.00 0.00 173.24 173.09 1wfn n GLY 7 N 5.36 1.04 3.76 9.45 0.00 -1.26 -5.17 105.19 118.38 1wfn n GLY 7 Ca 0.18 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 1.97 -0.40 0.00 1.61 0.04 -1.26 -5.06 135.00 131.90 1wfn s PRO 8 Ca 0.00 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.75 1wfn s PRO 8 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1wfn s PRO 8 CO 0.00 -3.13 0.00 0.94 0.04 0.00 0.00 177.00 174.85 1wfn n GLN 9 N -4.30 0.00 -3.54 4.56 7.27 -1.26 -5.07 117.38 115.05 1wfn n GLN 9 Ca 0.15 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.12 1wfn n GLN 9 Cb 0.59 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.22 1wfn n GLN 9 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1wfn s LEU 10 N -4.26 -0.47 -0.07 1.69 2.34 -1.26 -5.16 118.68 111.49 1wfn s LEU 10 Ca 0.00 -0.15 0.03 0.00 0.06 0.00 0.00 54.13 54.07 1wfn s LEU 10 Cb 0.00 2.55 0.01 0.00 -0.56 0.00 0.00 46.19 48.19 1wfn s LEU 10 CO 0.00 -1.01 -0.13 0.54 -1.06 0.00 0.00 176.35 174.68 1wfn s VAL 11 N -3.70 1.23 -0.60 1.48 0.11 -1.26 -5.09 120.40 112.56 1wfn s VAL 11 Ca 0.04 -0.54 -0.26 0.00 -2.93 0.00 0.00 61.98 58.29 1wfn s VAL 11 Cb -0.02 -1.11 0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1wfn s VAL 11 CO -0.08 0.37 1.12 -0.60 -3.33 0.00 0.00 175.10 172.59 1wfn s ARG 12 N 0.59 3.38 -0.12 1.54 3.52 -1.26 -4.99 118.95 121.62 1wfn s ARG 12 Ca -0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 1wfn s ARG 12 Cb -0.16 -4.07 0.02 0.00 -1.56 0.00 0.00 34.95 29.19 1wfn s ARG 12 CO 0.04 -1.71 -0.11 0.95 -0.81 0.00 0.00 175.30 173.66 1wfn s THR 13 N 4.73 1.27 0.16 4.11 -4.23 -1.26 -5.11 115.64 115.31 1wfn s THR 13 Ca 0.37 -0.47 -0.31 0.00 -1.18 0.00 0.00 61.69 60.09 1wfn s THR 13 Cb -0.10 -1.22 -0.10 0.00 1.34 0.00 0.00 72.50 72.43 1wfn s THR 13 CO 0.21 0.40 1.54 -1.00 -0.54 0.00 0.00 174.62 175.23 1wfn s HIS 14 N 1.39 3.09 -0.26 3.99 3.76 -1.26 -4.98 115.29 121.02 1wfn s HIS 14 Ca 0.00 0.68 -0.26 0.00 -0.15 0.00 0.00 55.06 55.33 1wfn s HIS 14 Cb -0.13 -3.89 0.14 0.00 1.11 0.00 0.00 32.58 29.81 1wfn s HIS 14 CO -0.06 -3.26 1.13 -1.21 -0.85 0.00 0.00 174.74 170.49 1wfn s GLU 15 N 1.10 0.40 0.05 1.40 2.02 -1.26 -5.07 118.70 117.34 1wfn s GLU 15 Ca 0.69 0.34 -0.19 0.00 0.02 0.00 0.00 54.97 55.83 1wfn s GLU 15 Cb -0.43 0.19 -0.09 0.00 0.10 0.00 0.00 34.13 33.91 1wfn s GLU 15 CO 0.31 -0.07 1.30 0.22 0.02 0.00 0.00 175.26 177.04 1wfn h ASP 16 N 3.46 -0.78 -2.20 -0.19 1.82 -1.96 -3.43 116.42 113.14 1wfn h ASP 16 Ca -0.24 0.07 -0.51 0.00 -0.39 0.00 0.00 57.03 55.96 1wfn h ASP 16 Cb 1.18 0.26 0.24 0.00 0.68 0.00 0.00 39.33 41.69 1wfn h ASP 16 CO 0.18 -0.35 -1.56 1.33 -1.61 0.00 0.00 179.24 177.23 1wfn n VAL 17 N -4.03 0.00 -1.51 2.25 0.24 -1.26 -4.72 118.33 109.31 1wfn n VAL 17 Ca -0.06 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 61.68 1wfn n VAL 17 Cb 0.24 -0.30 0.23 0.00 -1.47 0.00 0.00 33.84 32.54 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 -2.76 -0.62 0.00 7.34 0.04 -1.26 -4.84 135.00 132.91 1wfn s PRO 18 Ca 0.47 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.14 1wfn s PRO 18 Cb -0.11 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1wfn s PRO 18 CO 0.71 -3.26 0.00 0.41 0.04 0.00 0.00 177.00 174.90 1wfn n GLY 19 N -2.42 1.84 3.71 0.56 0.00 -1.22 -1.81 105.19 105.85 1wfn n GLY 19 Ca 0.16 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 3.39 4.46 0.57 1.61 0.04 -1.26 -3.55 135.00 140.25 1wfn s PRO 20 Ca 0.00 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 1wfn s PRO 20 Cb 0.00 -3.36 0.12 0.00 0.04 0.00 0.00 34.50 31.31 1wfn s PRO 20 CO 0.00 -0.22 0.28 1.33 0.04 0.00 0.00 177.00 178.44 1wfn n VAL 21 N 3.85 0.00 0.00 -0.36 0.24 -1.26 -4.45 118.33 116.35 1wfn n VAL 21 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1wfn n VAL 21 Cb 0.47 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 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 -1.34 -2.77 3.55 7.63 0.00 0.12 -4.72 105.19 107.66 1wfn n GLY 22 Ca 0.04 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 2.81 0.61 1.61 -3.43 -1.26 -4.54 115.29 111.08 1wfn s HIS 23 Ca 0.00 0.25 -0.18 0.00 -0.80 0.00 0.00 55.06 54.33 1wfn s HIS 23 Cb 0.00 -4.14 -0.06 0.00 -1.43 0.00 0.00 32.58 26.95 1wfn s HIS 23 CO 0.00 -1.30 0.69 1.28 -2.00 0.00 0.00 174.74 173.42 1wfn n LEU 24 N 7.55 1.94 -3.87 5.38 4.32 -1.26 -4.57 117.00 126.49 1wfn n LEU 24 Ca 0.05 0.74 -0.11 0.00 -0.02 0.00 0.00 56.01 56.67 1wfn n LEU 24 Cb 0.48 -1.26 -0.11 0.00 -1.62 0.00 0.00 43.42 40.91 1wfn n LEU 24 CO 0.66 -2.61 -0.21 -0.44 -1.22 0.00 0.00 177.39 173.56 1wfn s SER 25 N -1.26 0.01 -0.04 -1.43 0.01 0.12 -4.94 113.70 106.17 1wfn s SER 25 Ca 0.71 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.90 1wfn s SER 25 Cb -0.42 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1wfn s SER 25 CO 0.52 -0.26 -0.13 -0.36 0.41 0.00 0.00 173.24 173.42 1wfn s PHE 26 N -0.94 1.34 0.21 2.43 0.08 -1.26 0.19 117.98 120.03 1wfn s PHE 26 Ca -0.10 -0.39 -0.06 0.00 0.12 0.00 0.00 56.93 56.50 1wfn s PHE 26 Cb -0.06 -0.94 -0.02 0.00 -0.57 0.00 0.00 43.02 41.43 1wfn s PHE 26 CO 0.01 -0.16 0.27 -1.12 -0.10 0.00 0.00 175.22 174.11 1wfn s SER 27 N 0.24 0.06 -1.33 1.36 0.01 -0.78 -4.92 113.70 108.33 1wfn s SER 27 Ca -0.06 -1.18 -0.12 0.00 1.31 0.00 0.00 55.95 55.91 1wfn s SER 27 Cb -0.11 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.58 1wfn s SER 27 CO 0.02 -0.95 0.49 -0.62 0.41 0.00 0.00 173.24 172.59 1wfn n GLU 28 N -0.30 -1.87 -3.20 12.44 -0.58 -1.26 -0.82 120.64 125.04 1wfn n GLU 28 Ca -0.00 0.31 -0.39 0.00 -0.42 0.00 0.00 57.16 56.66 1wfn n GLU 28 Cb 0.64 -3.93 -0.06 0.00 -0.57 0.00 0.00 31.44 27.53 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 -3.83 4.95 0.00 -3.67 1.01 -1.26 -3.99 121.20 114.41 1wfn s ILE 29 Ca 0.21 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.09 1wfn s ILE 29 Cb -0.09 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1wfn s ILE 29 CO 0.91 0.39 0.00 0.18 0.00 0.00 0.00 174.94 176.43 1wfn n LEU 30 N 2.92 0.00 -0.06 2.97 7.99 0.22 -4.51 117.00 126.53 1wfn n LEU 30 Ca -0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 55.88 1wfn n LEU 30 Cb 0.51 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.72 1wfn n LEU 30 CO 0.44 0.00 -0.92 -0.90 -1.51 0.00 0.00 177.39 174.50 1wfn n ASP 31 N 0.00 1.70 -0.84 -1.43 5.75 -1.25 0.19 116.55 120.67 1wfn n ASP 31 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 1wfn n ASP 31 Cb 0.00 0.89 -0.01 0.00 -1.03 0.00 0.00 41.12 40.97 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 -2.46 0.00 -3.72 2.12 -2.24 -1.26 -0.11 114.28 106.62 1wfn n THR 32 Ca -0.20 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.23 1wfn n THR 32 Cb 0.89 0.47 -0.13 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.95 -0.31 -0.05 3.42 1.04 -1.26 -0.95 113.70 114.63 1wfn s SER 33 Ca 0.08 0.61 -0.23 0.00 0.48 0.00 0.00 55.95 56.89 1wfn s SER 33 Cb 0.09 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.76 1wfn s SER 33 CO -0.04 -0.17 0.52 -1.48 0.98 0.00 0.00 173.24 173.04 1wfn s LEU 34 N 1.32 0.01 -0.12 2.42 0.05 -0.40 0.72 118.68 122.68 1wfn s LEU 34 Ca -0.09 0.51 -0.15 0.00 0.05 0.00 0.00 54.13 54.45 1wfn s LEU 34 Cb -0.10 1.96 -0.05 0.00 -2.05 0.00 0.00 46.19 45.95 1wfn s LEU 34 CO -0.10 -0.50 0.35 -0.75 -0.55 0.00 0.00 176.35 174.80 1wfn s LYS 35 N -1.09 4.15 -0.10 1.48 2.20 -0.00 0.92 119.74 127.30 1wfn s LYS 35 Ca -0.11 0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 55.71 1wfn s LYS 35 Cb -0.03 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1wfn s LYS 35 CO 0.07 0.35 -0.02 0.08 -0.36 0.00 0.00 175.35 175.46 1wfn s VAL 36 N 0.09 4.08 0.09 4.02 1.01 0.32 -1.87 120.40 128.14 1wfn s VAL 36 Ca 0.20 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1wfn s VAL 36 Cb -0.14 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1wfn s VAL 36 CO 0.07 0.58 -0.08 -0.94 0.00 0.00 0.00 175.10 174.73 1wfn s SER 37 N -0.59 1.19 0.29 3.32 1.04 0.13 0.61 113.70 119.69 1wfn s SER 37 Ca 0.09 -0.88 -0.20 0.00 0.48 0.00 0.00 55.95 55.45 1wfn s SER 37 Cb -0.12 0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.11 1wfn s SER 37 CO 0.02 -0.37 0.84 -1.66 0.98 0.00 0.00 173.24 173.05 1wfn s TRP 38 N -2.94 -0.02 0.44 5.02 -2.14 0.16 0.11 118.94 119.58 1wfn s TRP 38 Ca 0.07 -0.50 0.02 0.00 2.66 0.00 0.00 56.10 58.35 1wfn s TRP 38 Cb 0.01 0.75 -0.01 0.00 -3.10 0.00 0.00 33.47 31.12 1wfn s TRP 38 CO -0.02 -1.25 0.06 1.04 -2.66 0.00 0.00 176.95 174.11 1wfn n GLN 39 N -0.53 0.74 -2.69 3.25 6.02 -1.26 -4.69 117.38 118.22 1wfn n GLN 39 Ca -0.06 -3.38 -0.39 0.00 -0.01 0.00 0.00 57.00 53.16 1wfn n GLN 39 Cb 0.60 1.28 -0.06 0.00 1.02 0.00 0.00 30.24 33.08 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 -3.61 4.74 0.52 -1.09 2.02 -1.26 -0.70 118.70 119.32 1wfn s GLU 40 Ca 0.08 1.53 -0.19 0.00 0.02 0.00 0.00 54.97 56.42 1wfn s GLU 40 Cb 0.00 -3.15 -0.07 0.00 0.10 0.00 0.00 34.13 31.01 1wfn s GLU 40 CO 0.06 0.39 1.04 -1.25 0.02 0.00 0.00 175.26 175.52 1wfn s PRO 41 N -1.43 3.64 0.20 0.39 0.04 -1.26 -3.94 135.00 132.63 1wfn s PRO 41 Ca 0.44 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.80 1wfn s PRO 41 Cb -0.26 -2.07 0.11 0.00 0.04 0.00 0.00 34.50 32.32 1wfn s PRO 41 CO 0.32 -0.55 1.46 0.78 0.04 0.00 0.00 177.00 179.05 1wfn h GLY 42 N 1.15 0.25 -3.74 0.56 0.00 -1.91 -3.20 103.07 96.18 1wfn h GLY 42 Ca -0.48 -0.37 -0.28 0.00 0.00 0.00 0.00 47.33 46.19 1wfn h GLY 42 CO 0.59 0.33 0.20 1.18 0.00 0.00 0.00 176.54 178.83 1wfn n GLU 43 N -3.77 1.83 -0.55 4.80 -0.58 -1.26 -4.60 120.64 116.51 1wfn n GLU 43 Ca -0.03 -1.37 0.44 0.00 -0.42 0.00 0.00 57.16 55.79 1wfn n GLU 43 Cb 0.71 -1.69 0.73 0.00 -0.57 0.00 0.00 31.44 30.62 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 2.02 0.02 -3.93 3.49 1.57 -1.93 -3.24 116.57 114.57 1wfn h LYS 44 Ca 0.24 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1wfn h LYS 44 Cb 0.98 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1wfn h LYS 44 CO 0.56 0.01 -0.08 0.09 -0.57 0.00 0.00 179.45 179.46 1wfn n ASN 45 N -4.40 -1.55 0.00 0.86 3.02 -1.26 -4.01 115.26 107.91 1wfn n ASN 45 Ca 0.41 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 55.29 1wfn n ASN 45 Cb 1.70 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.45 0.60 3.07 7.41 0.00 -1.26 -4.91 105.19 109.65 1wfn n GLY 46 Ca -0.04 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 0.90 0.11 -0.61 -1.09 -1.26 -5.14 121.20 114.12 1wfn s ILE 47 Ca 0.00 -0.55 -0.18 0.00 -2.23 0.00 0.00 60.65 57.69 1wfn s ILE 47 Cb 0.00 -0.77 -0.07 0.00 -1.58 0.00 0.00 42.46 40.04 1wfn s ILE 47 CO 0.00 0.21 0.59 -0.76 -1.23 0.00 0.00 174.94 173.75 1wfn s LEU 48 N -0.38 4.46 0.00 2.97 2.01 -1.26 -4.14 118.68 122.34 1wfn s LEU 48 Ca 0.04 1.24 0.12 0.00 0.01 0.00 0.00 54.13 55.54 1wfn s LEU 48 Cb -0.05 -3.07 0.13 0.00 0.01 0.00 0.00 46.19 43.21 1wfn s LEU 48 CO -0.00 0.21 0.93 0.35 1.01 0.00 0.00 176.35 178.84 1wfn n THR 49 N 1.39 0.16 -0.13 5.49 -2.24 0.65 -4.53 114.28 115.06 1wfn n THR 49 Ca -0.08 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1wfn n THR 49 Cb 0.51 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.64 -2.50 2.77 3.38 0.00 -1.14 -3.41 105.19 104.92 1wfn n GLY 50 Ca 0.08 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.03 0.01 -0.15 1.61 2.02 -0.00 0.54 117.35 119.34 1wfn s TYR 51 Ca 0.00 0.21 -0.21 0.00 -0.37 0.00 0.00 57.07 56.71 1wfn s TYR 51 Cb 0.00 -0.27 -0.03 0.00 -0.40 0.00 0.00 41.96 41.25 1wfn s TYR 51 CO 0.00 -0.13 0.60 0.50 -1.57 0.00 0.00 175.55 174.95 1wfn s ARG 52 N 1.37 4.29 0.07 -0.62 3.52 0.16 -2.17 118.95 125.57 1wfn s ARG 52 Ca -0.06 0.62 0.08 0.00 -0.13 0.00 0.00 55.73 56.24 1wfn s ARG 52 Cb -0.13 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1wfn s ARG 52 CO -0.03 -0.06 -0.17 -1.50 -0.81 0.00 0.00 175.30 172.73 1wfn s ILE 53 N 1.31 2.91 -0.24 4.11 2.07 -1.11 0.90 121.20 131.14 1wfn s ILE 53 Ca 0.30 -1.30 -0.04 0.00 -1.41 0.00 0.00 60.65 58.20 1wfn s ILE 53 Cb -0.16 -2.28 0.13 0.00 0.13 0.00 0.00 42.46 40.28 1wfn s ILE 53 CO 0.12 0.23 0.43 -0.94 -1.91 0.00 0.00 174.94 172.86 1wfn s SER 54 N -1.78 -0.16 -0.28 4.50 1.04 0.12 -2.25 113.70 114.89 1wfn s SER 54 Ca 0.17 0.59 -0.09 0.00 0.48 0.00 0.00 55.95 57.09 1wfn s SER 54 Cb -0.11 1.36 -0.03 0.00 0.10 0.00 0.00 66.02 67.35 1wfn s SER 54 CO 0.08 -0.27 0.13 -1.66 0.98 0.00 0.00 173.24 172.50 1wfn s TRP 55 N 2.62 3.15 0.01 5.02 -2.14 -1.26 0.14 118.94 126.49 1wfn s TRP 55 Ca 0.09 -0.29 0.02 0.00 2.66 0.00 0.00 56.10 58.58 1wfn s TRP 55 Cb -0.14 -2.32 -0.01 0.00 -3.10 0.00 0.00 33.47 27.90 1wfn s TRP 55 CO -0.16 -0.32 -0.07 -1.83 -2.66 0.00 0.00 176.95 171.91 1wfn s GLU 56 N 1.66 0.54 0.96 3.25 -1.05 0.08 -3.00 118.70 121.14 1wfn s GLU 56 Ca 0.06 -0.42 -0.14 0.00 -0.15 0.00 0.00 54.97 54.32 1wfn s GLU 56 Cb -0.16 -0.46 0.11 0.00 -0.44 0.00 0.00 34.13 33.18 1wfn s GLU 56 CO 0.07 0.11 0.08 0.39 0.95 0.00 0.00 175.26 176.86 1wfn n GLU 57 N 2.40 -1.72 0.06 -4.83 1.02 -1.21 0.19 120.64 116.55 1wfn n GLU 57 Ca -0.16 -0.51 -0.10 0.00 -0.02 0.00 0.00 57.16 56.37 1wfn n GLU 57 Cb 0.57 -1.40 -0.06 0.00 -0.02 0.00 0.00 31.44 30.52 1wfn n GLU 57 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1wfn h TYR 58 N -2.38 -1.00 -2.14 -0.32 3.20 0.13 -3.31 116.97 111.14 1wfn h TYR 58 Ca -0.26 0.03 -0.57 0.00 3.14 0.00 0.00 58.73 61.07 1wfn h TYR 58 Cb 0.80 0.43 -0.41 0.00 1.54 0.00 0.00 36.73 39.09 1wfn h TYR 58 CO -2.32 -0.38 -0.82 -1.71 -1.64 0.00 0.00 178.16 171.30 1wfn n ASN 59 N -4.39 2.68 -3.19 -2.11 2.85 -1.26 -4.85 115.26 104.99 1wfn n ASN 59 Ca -0.05 -3.27 0.01 0.00 -0.11 0.00 0.00 54.58 51.16 1wfn n ASN 59 Cb 0.26 -0.63 -0.02 0.00 1.24 0.00 0.00 39.78 40.63 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 0.53 0.30 1.20 0.52 -1.25 -5.01 118.95 112.81 1wfn s ARG 60 Ca 0.41 0.68 0.16 0.00 -0.52 0.00 0.00 55.73 56.46 1wfn s ARG 60 Cb 0.22 0.24 0.15 0.00 0.52 0.00 0.00 34.95 36.08 1wfn s ARG 60 CO -0.08 -0.84 1.49 1.15 0.02 0.00 0.00 175.30 177.04 1wfn h THR 61 N 6.04 0.79 0.00 0.02 2.02 -1.94 -3.03 112.91 116.81 1wfn h THR 61 Ca -0.12 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.00 1wfn h THR 61 Cb 1.17 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1wfn h THR 61 CO 0.22 0.44 0.00 -1.13 0.37 0.00 0.00 175.52 175.42 1wfn h ASN 62 N 0.00 0.00 -0.69 4.18 -1.24 -1.99 0.70 115.58 116.54 1wfn h ASN 62 Ca -0.00 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.82 1wfn h ASN 62 Cb 1.31 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 40.25 1wfn h ASN 62 CO 0.06 0.00 0.22 0.35 -1.29 0.00 0.00 177.43 176.77 1wfn n THR 63 N -2.71 2.88 -3.61 -3.57 -2.24 -1.15 -4.95 114.28 98.93 1wfn n THR 63 Ca -0.01 -1.67 -0.34 0.00 -2.27 0.00 0.00 64.05 59.76 1wfn n THR 63 Cb 0.13 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.98 3.71 0.27 -0.78 3.52 0.24 -3.80 118.95 119.14 1wfn s ARG 64 Ca 0.54 0.10 0.12 0.00 -0.13 0.00 0.00 55.73 56.35 1wfn s ARG 64 Cb 0.43 -2.96 -0.05 0.00 -1.56 0.00 0.00 34.95 30.82 1wfn s ARG 64 CO 0.13 0.54 -0.18 0.08 -0.81 0.00 0.00 175.30 175.06 1wfn s VAL 65 N -1.46 2.59 -0.26 7.11 1.01 -1.16 -4.93 120.40 123.31 1wfn s VAL 65 Ca 0.35 -2.32 -0.00 0.00 0.00 0.00 0.00 61.98 60.00 1wfn s VAL 65 Cb -0.13 -2.36 0.07 0.00 0.00 0.00 0.00 36.38 33.96 1wfn s VAL 65 CO 0.19 -0.38 0.02 -0.89 0.00 0.00 0.00 175.10 174.05 1wfn s THR 66 N -2.43 1.17 0.27 3.92 2.01 -1.26 -3.92 115.64 115.40 1wfn s THR 66 Ca 0.30 -1.21 0.12 0.00 0.31 0.00 0.00 61.69 61.20 1wfn s THR 66 Cb -0.05 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 1wfn s THR 66 CO 0.15 -0.34 -0.20 -1.00 -0.69 0.00 0.00 174.62 172.55 1wfn s HIS 67 N 1.53 2.26 -0.07 4.92 3.76 -0.95 -5.01 115.29 121.73 1wfn s HIS 67 Ca 0.01 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.59 1wfn s HIS 67 Cb -0.18 -0.98 0.02 0.00 1.11 0.00 0.00 32.58 32.55 1wfn s HIS 67 CO -0.12 0.70 -0.07 0.71 -0.85 0.00 0.00 174.74 175.10 1wfn s TYR 68 N -2.52 1.12 0.27 1.40 2.02 -1.26 -2.77 117.35 115.61 1wfn s TYR 68 Ca 0.29 -0.42 0.10 0.00 -0.37 0.00 0.00 57.07 56.67 1wfn s TYR 68 Cb -0.05 -0.92 -0.05 0.00 -0.40 0.00 0.00 41.96 40.54 1wfn s TYR 68 CO 0.15 -0.29 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.17 1wfn s LEU 69 N 1.07 2.59 1.02 -1.29 1.43 -0.92 -4.96 118.68 117.61 1wfn s LEU 69 Ca -0.08 -1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 51.80 1wfn s LEU 69 Cb -0.14 -0.90 0.20 0.00 0.03 0.00 0.00 46.19 45.38 1wfn s LEU 69 CO -0.01 -0.10 1.19 -2.16 0.23 0.00 0.00 176.35 175.50 1wfn s PRO 70 N -3.59 0.25 -0.05 1.29 0.04 -1.26 -0.82 135.00 130.85 1wfn s PRO 70 Ca 0.28 -0.05 0.03 0.00 0.04 0.00 0.00 61.00 61.30 1wfn s PRO 70 Cb -0.02 -1.77 0.18 0.00 0.04 0.00 0.00 34.50 32.94 1wfn s PRO 70 CO 0.12 -2.74 0.81 0.27 0.04 0.00 0.00 177.00 175.51 1wfn n ASN 71 N -4.07 1.94 -0.01 6.66 6.94 -1.22 -2.89 115.26 122.61 1wfn n ASN 71 Ca 0.11 -2.19 0.02 0.00 -0.02 0.00 0.00 54.58 52.51 1wfn n ASN 71 Cb 0.59 -0.50 -0.05 0.00 -2.36 0.00 0.00 39.78 37.46 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 0.12 0.08 -4.07 3.53 0.24 -1.26 -4.90 118.33 112.07 1wfn n VAL 72 Ca 0.06 -0.17 -0.34 0.00 -2.04 0.00 0.00 64.34 61.85 1wfn n VAL 72 Cb 0.43 0.12 -0.07 0.00 -1.47 0.00 0.00 33.84 32.86 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 -2.40 4.88 -0.00 3.34 2.01 -1.14 -4.97 115.64 117.35 1wfn s THR 73 Ca -0.03 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1wfn s THR 73 Cb 0.04 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.34 1wfn s THR 73 CO 0.27 0.40 0.64 0.18 -0.69 0.00 0.00 174.62 175.42 1wfn n LEU 74 N 1.32 0.24 -3.81 4.42 4.77 -1.26 -4.73 117.00 117.95 1wfn n LEU 74 Ca -0.14 -0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 55.32 1wfn n LEU 74 Cb 0.53 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1wfn n LEU 74 CO 0.37 0.10 -0.12 -1.83 -1.33 0.00 0.00 177.39 174.59 1wfn s GLU 75 N -0.15 0.37 0.01 3.23 1.03 -1.26 0.41 118.70 122.34 1wfn s GLU 75 Ca 0.01 0.04 -0.14 0.00 0.03 0.00 0.00 54.97 54.91 1wfn s GLU 75 Cb 0.01 0.17 0.02 0.00 -0.80 0.00 0.00 34.13 33.53 1wfn s GLU 75 CO 0.00 -0.07 0.30 -0.47 -1.33 0.00 0.00 175.26 173.69 1wfn s TYR 76 N -0.49 -0.14 -0.21 4.83 5.04 0.20 -4.96 117.35 121.62 1wfn s TYR 76 Ca -0.06 0.12 -0.18 0.00 -2.44 0.00 0.00 57.07 54.51 1wfn s TYR 76 Cb -0.04 0.09 -0.03 0.00 0.35 0.00 0.00 41.96 42.33 1wfn s TYR 76 CO 0.01 -0.44 0.49 0.50 -1.34 0.00 0.00 175.55 174.77 1wfn s ARG 77 N -1.91 4.16 0.03 4.97 3.52 -1.26 0.12 118.95 128.58 1wfn s ARG 77 Ca -0.10 0.35 -0.07 0.00 -0.13 0.00 0.00 55.73 55.78 1wfn s ARG 77 Cb -0.03 -3.58 -0.05 0.00 -1.56 0.00 0.00 34.95 29.73 1wfn s ARG 77 CO 0.01 -0.17 0.29 0.08 -0.81 0.00 0.00 175.30 174.70 1wfn s VAL 78 N 1.71 5.26 -0.10 7.11 1.01 0.26 -4.96 120.40 130.70 1wfn s VAL 78 Ca 0.22 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.21 1wfn s VAL 78 Cb -0.15 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.68 1wfn s VAL 78 CO 0.09 0.33 0.46 0.42 0.00 0.00 0.00 175.10 176.40 1wfn s THR 79 N -1.34 0.02 0.00 3.92 -4.23 -1.26 -1.28 115.64 111.47 1wfn s THR 79 Ca 0.29 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1wfn s THR 79 Cb -0.13 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1wfn s THR 79 CO 0.17 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1wfn n GLY 80 N 1.89 1.23 0.00 3.99 0.00 -0.13 -5.00 105.19 107.17 1wfn n GLY 80 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.86 0.99 4.77 -1.10 -5.08 117.00 112.72 1wfn n LEU 81 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1wfn n LEU 81 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1wfn n LEU 81 CO 0.00 0.00 -0.19 -0.89 -1.33 0.00 0.00 177.39 174.98 1wfn s THR 82 N 0.20 0.06 0.24 -5.08 2.01 -1.23 -4.81 115.64 107.03 1wfn s THR 82 Ca 0.00 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 1wfn s THR 82 Cb 0.00 -0.35 -0.09 0.00 0.01 0.00 0.00 72.50 72.07 1wfn s THR 82 CO 0.00 -0.25 1.19 0.00 -0.69 0.00 0.00 174.62 174.87 1wfn s ALA 83 N -0.87 3.45 -1.24 7.40 0.00 0.85 -3.35 121.76 127.99 1wfn s ALA 83 Ca -0.10 1.00 -0.15 0.00 0.00 0.00 0.00 51.96 52.71 1wfn s ALA 83 Cb -0.05 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1wfn s ALA 83 CO 0.01 -0.36 0.65 1.28 0.00 0.00 0.00 175.76 177.33 1wfn n LEU 84 N 1.77 -2.32 -3.95 0.00 4.77 -1.26 -4.97 117.00 111.04 1wfn n LEU 84 Ca 0.02 -1.05 -0.13 0.00 -0.03 0.00 0.00 56.01 54.82 1wfn n LEU 84 Cb 0.44 -2.24 -0.13 0.00 -2.33 0.00 0.00 43.42 39.16 1wfn n LEU 84 CO 0.56 0.50 -0.38 -0.89 -1.33 0.00 0.00 177.39 175.85 1wfn s THR 85 N -3.65 0.24 -0.30 -5.08 2.01 -1.21 -4.92 115.64 102.73 1wfn s THR 85 Ca 0.31 -0.47 -0.24 0.00 0.31 0.00 0.00 61.69 61.61 1wfn s THR 85 Cb -0.12 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.12 1wfn s THR 85 CO 0.88 -0.15 0.82 -0.89 -0.69 0.00 0.00 174.62 174.59 1wfn s THR 86 N -0.62 4.78 0.14 -0.82 2.01 -1.26 -0.12 115.64 119.75 1wfn s THR 86 Ca -0.05 1.29 0.10 0.00 0.31 0.00 0.00 61.69 63.34 1wfn s THR 86 Cb -0.05 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1wfn s THR 86 CO -0.00 -0.24 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.13 1wfn s TYR 87 N 2.99 2.19 -0.23 4.92 2.02 0.34 0.16 117.35 129.74 1wfn s TYR 87 Ca 0.34 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 1wfn s TYR 87 Cb -0.14 -1.16 0.05 0.00 -0.40 0.00 0.00 41.96 40.30 1wfn s TYR 87 CO 0.12 0.35 -0.14 0.99 -1.57 0.00 0.00 175.55 175.30 1wfn s THR 88 N -1.24 2.07 -0.28 -0.71 2.01 0.49 0.20 115.64 118.18 1wfn s THR 88 Ca 0.14 -1.34 -0.16 0.00 0.31 0.00 0.00 61.69 60.64 1wfn s THR 88 Cb -0.09 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1wfn s THR 88 CO 0.06 0.17 0.41 -0.63 -0.69 0.00 0.00 174.62 173.95 1wfn s ILE 89 N 1.20 5.14 -0.29 1.82 -1.09 -0.76 -0.74 121.20 126.48 1wfn s ILE 89 Ca -0.04 0.61 -0.10 0.00 -2.23 0.00 0.00 60.65 58.89 1wfn s ILE 89 Cb -0.17 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1wfn s ILE 89 CO -0.08 0.11 0.15 -1.61 -1.23 0.00 0.00 174.94 172.28 1wfn s GLU 90 N 2.14 3.64 -0.21 2.79 8.01 0.37 -1.67 118.70 133.78 1wfn s GLU 90 Ca 0.16 -0.52 -0.03 0.00 0.01 0.00 0.00 54.97 54.60 1wfn s GLU 90 Cb -0.16 -3.55 -0.00 0.00 -4.31 0.00 0.00 34.13 26.11 1wfn s GLU 90 CO 0.10 -0.28 -0.08 0.08 0.01 0.00 0.00 175.26 175.09 1wfn s VAL 91 N 1.67 3.10 0.23 2.63 1.01 0.11 0.13 120.40 129.29 1wfn s VAL 91 Ca 0.06 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.56 1wfn s VAL 91 Cb -0.16 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1wfn s VAL 91 CO 0.07 0.45 -0.19 0.00 0.00 0.00 0.00 175.10 175.44 1wfn s ALA 92 N 1.38 2.42 0.43 5.51 0.00 0.26 0.15 121.76 131.91 1wfn s ALA 92 Ca 0.05 -1.74 0.05 0.00 0.00 0.00 0.00 51.96 50.32 1wfn s ALA 92 Cb -0.14 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1wfn s ALA 92 CO -0.05 0.23 0.60 0.00 0.00 0.00 0.00 175.76 176.55 1wfn s ALA 93 N -2.47 4.15 -0.02 0.00 0.00 -1.24 0.37 121.76 122.56 1wfn s ALA 93 Ca 0.25 -1.41 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1wfn s ALA 93 Cb -0.04 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.26 1wfn s ALA 93 CO 0.11 -0.33 0.03 -1.64 0.00 0.00 0.00 175.76 173.93 1wfn s MET 94 N -4.43 -0.02 0.00 0.00 -1.94 0.19 -2.51 119.30 110.59 1wfn s MET 94 Ca 0.51 0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.64 1wfn s MET 94 Cb -0.10 -0.17 0.00 0.00 2.01 0.00 0.00 34.83 36.57 1wfn s MET 94 CO 0.35 -0.12 0.00 0.25 -0.01 0.00 0.00 175.02 175.49 1wfn n THR 95 N 3.86 0.00 1.73 2.05 -2.24 0.12 0.24 114.28 120.04 1wfn n THR 95 Ca -0.23 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.61 1wfn n THR 95 Cb 0.53 0.00 0.33 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.61 0.52 -0.03 3.42 3.41 -1.26 -3.43 113.62 115.64 1wfn n SER 96 Ca 0.00 -1.70 -0.04 0.00 -0.26 0.00 0.00 58.87 56.87 1wfn n SER 96 Cb 0.00 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1wfn n SER 96 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1wfn n LYS 97 N -0.36 0.38 -1.89 4.33 -0.00 -1.26 -5.14 118.16 114.22 1wfn n LYS 97 Ca 0.10 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1wfn n LYS 97 Cb 0.12 -1.12 0.00 0.00 -0.00 0.00 0.00 35.03 34.03 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 3.17 -0.52 3.87 2.58 0.00 -1.22 -5.06 105.19 108.01 1wfn n GLY 98 Ca -0.11 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.71 3.37 0.00 1.61 0.74 -1.26 0.13 119.66 122.55 1wfn s GLN 99 Ca 0.00 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.15 1wfn s GLN 99 Cb 0.00 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 31.01 1wfn s GLN 99 CO 0.00 0.72 0.00 0.41 -0.55 0.00 0.00 175.29 175.87 1wfn n GLY 100 N 1.50 2.53 3.19 2.59 0.00 -1.05 -4.83 105.19 109.13 1wfn n GLY 100 Ca -0.16 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.12 -4.04 1.61 7.27 -0.75 -4.62 117.38 115.74 1wfn n GLN 101 Ca 0.00 -0.31 -0.15 0.00 0.07 0.00 0.00 57.00 56.61 1wfn n GLN 101 Cb 0.00 -1.49 -0.15 0.00 2.41 0.00 0.00 30.24 31.02 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 -2.16 0.26 -0.49 1.69 0.11 -1.26 -3.66 120.40 114.88 1wfn s VAL 102 Ca 0.50 -0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 59.30 1wfn s VAL 102 Cb -0.05 -0.24 0.10 0.00 -1.53 0.00 0.00 36.38 34.66 1wfn s VAL 102 CO 0.66 0.09 0.42 -0.44 -3.33 0.00 0.00 175.10 172.50 1wfn s SER 103 N 0.12 6.09 -0.28 3.54 0.01 0.40 -4.83 113.70 118.75 1wfn s SER 103 Ca -0.01 -1.55 -0.09 0.00 1.31 0.00 0.00 55.95 55.62 1wfn s SER 103 Cb -0.04 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 1wfn s SER 103 CO -0.00 -0.72 0.12 0.00 0.41 0.00 0.00 173.24 173.05 1wfn s ALA 104 N 1.59 3.25 -0.08 1.44 0.00 -1.25 0.07 121.76 126.78 1wfn s ALA 104 Ca 0.04 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1wfn s ALA 104 Cb -0.26 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1wfn s ALA 104 CO 0.04 -0.69 -0.20 -1.12 0.00 0.00 0.00 175.76 173.79 1wfn s SER 105 N 1.63 2.62 0.21 0.00 0.01 -0.67 -4.92 113.70 112.58 1wfn s SER 105 Ca 0.06 -0.46 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 1wfn s SER 105 Cb -0.16 -1.12 -0.08 0.00 0.21 0.00 0.00 66.02 64.86 1wfn s SER 105 CO 0.06 0.13 1.04 -0.89 0.41 0.00 0.00 173.24 173.99 1wfn s THR 106 N 0.37 3.88 -0.13 1.44 2.01 -1.26 -1.84 115.64 120.11 1wfn s THR 106 Ca -0.15 1.75 -0.08 0.00 0.31 0.00 0.00 61.69 63.52 1wfn s THR 106 Cb -0.16 -4.12 0.05 0.00 0.01 0.00 0.00 72.50 68.28 1wfn s THR 106 CO 0.06 0.36 0.32 -0.51 -0.69 0.00 0.00 174.62 174.17 1wfn s ILE 107 N -0.71 -0.03 -0.31 1.82 1.10 0.53 -4.96 121.20 118.64 1wfn s ILE 107 Ca 0.46 0.11 -0.14 0.00 -0.51 0.00 0.00 60.65 60.57 1wfn s ILE 107 Cb -0.29 -0.48 -0.03 0.00 0.15 0.00 0.00 42.46 41.81 1wfn s ILE 107 CO 0.35 0.04 0.30 -0.55 -2.11 0.00 0.00 174.94 172.97 1wfn s SER 108 N 1.17 6.13 0.56 4.50 0.15 -1.26 0.13 113.70 125.08 1wfn s SER 108 Ca -0.08 -0.10 -0.15 0.00 0.70 0.00 0.00 55.95 56.31 1wfn s SER 108 Cb -0.08 -2.17 -0.13 0.00 -1.71 0.00 0.00 66.02 61.93 1wfn s SER 108 CO -0.09 -0.21 -0.28 -1.54 1.20 0.00 0.00 173.24 172.31 1wfn n SER 109 N 5.24 -3.80 0.00 5.45 3.41 0.83 -4.83 113.62 119.92 1wfn n SER 109 Ca -0.11 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1wfn n SER 109 Cb 0.50 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 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 2.43 -1.30 3.64 5.00 0.00 0.51 -4.21 105.19 111.26 1wfn n GLY 110 Ca 0.04 0.00 -0.05 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 -0.02 1.61 0.11 0.54 -4.36 120.40 118.27 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 -0.18 4.37 0.49 1.54 0.04 -1.26 -3.96 135.00 136.05 1wfn s PRO 112 Ca 0.06 1.70 0.28 0.00 0.04 0.00 0.00 61.00 63.09 1wfn s PRO 112 Cb -0.04 -3.51 0.86 0.00 0.04 0.00 0.00 34.50 31.86 1wfn s PRO 112 CO -0.11 -0.40 1.80 -1.00 0.04 0.00 0.00 177.00 177.34 1wfn h PRO 113 N 7.30 0.00 -6.06 0.56 0.13 -1.97 -3.46 132.00 128.52 1wfn h PRO 113 Ca -0.36 0.00 -0.81 0.00 -0.87 0.00 0.00 66.00 63.95 1wfn h PRO 113 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 1wfn h PRO 113 CO 0.86 0.00 0.58 0.45 -0.23 0.00 0.00 178.00 179.66 1wfn n SER 114 N -3.08 1.24 0.00 1.44 2.88 -1.26 -4.47 113.62 110.36 1wfn n SER 114 Ca 0.02 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1wfn n SER 114 Cb 0.41 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 1wfn n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfn n GLY 115 N 3.37 1.04 3.30 0.46 0.00 -1.26 -4.73 105.19 107.36 1wfn n GLY 115 Ca 0.27 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 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 1.08 2.29 -3.67 1.61 -0.04 -1.26 -4.89 135.00 130.11 1wfn n PRO 116 Ca 0.00 -2.58 -0.39 0.00 -0.04 0.00 0.00 63.50 60.49 1wfn n PRO 116 Cb 0.00 -3.39 -0.12 0.00 -0.04 0.00 0.00 33.50 29.95 1wfn n PRO 116 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wfn s SER 117 N 4.82 5.52 0.11 3.54 1.04 -1.26 -4.88 113.70 122.59 1wfn s SER 117 Ca 0.57 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1wfn s SER 117 Cb 0.07 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1wfn s SER 117 CO 0.07 -0.35 0.00 -1.54 0.98 0.00 0.00 173.24 172.40 1wfn n SER 118 N 4.91 0.64 0.00 7.02 3.41 -1.26 -5.06 113.62 123.28 1wfn n SER 118 Ca -0.12 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1wfn n SER 118 Cb 0.45 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1wfn n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49