#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 6.31 0.18 1.61 0.01 -1.25 -4.72 113.70 115.84 1wfn s SER 2 Ca 0.00 0.62 0.10 0.00 1.31 0.00 0.00 55.95 57.98 1wfn s SER 2 Cb 0.00 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 1wfn s SER 2 CO 0.00 -0.36 -0.14 -0.55 0.41 0.00 0.00 173.24 172.60 1wfn s SER 3 N -3.92 4.00 0.18 2.44 0.15 -1.26 -5.01 113.70 110.29 1wfn s SER 3 Ca 0.43 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1wfn s SER 3 Cb -0.10 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1wfn s SER 3 CO 0.37 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.54 1wfn n GLY 4 N 0.16 -1.83 3.05 9.45 0.00 -1.26 -4.98 105.19 109.78 1wfn n GLY 4 Ca -0.12 0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 1wfn n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfn n SER 5 N -2.86 -5.60 -3.59 1.61 3.41 -1.26 -4.94 113.62 100.39 1wfn n SER 5 Ca 0.00 0.20 -0.27 0.00 -0.26 0.00 0.00 58.87 58.53 1wfn n SER 5 Cb 0.00 -0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 63.03 1wfn n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wfn n SER 6 N 2.95 1.12 0.00 4.04 7.64 -1.26 -5.05 113.62 123.06 1wfn n SER 6 Ca -0.01 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.10 1wfn n SER 6 Cb 0.56 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1wfn n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfn n GLY 7 N 2.34 0.66 3.68 0.23 0.00 -1.26 -5.02 105.19 105.81 1wfn n GLY 7 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 3.35 4.31 0.19 1.61 0.04 -1.26 -5.01 135.00 138.23 1wfn s PRO 8 Ca 0.00 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 1wfn s PRO 8 Cb 0.00 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 1wfn s PRO 8 CO 0.00 -0.54 0.20 1.14 0.04 0.00 0.00 177.00 177.84 1wfn s GLN 9 N 2.64 1.18 -0.02 4.56 0.00 -1.26 -5.17 119.66 121.59 1wfn s GLN 9 Ca 0.56 -1.45 -0.02 0.00 -0.00 0.00 0.00 55.36 54.46 1wfn s GLN 9 Cb -0.24 0.31 0.01 0.00 0.00 0.00 0.00 33.01 33.09 1wfn s GLN 9 CO 0.20 -0.41 0.06 -0.51 0.00 0.00 0.00 175.29 174.63 1wfn s LEU 10 N -3.08 1.62 -0.15 2.60 1.43 -1.26 -5.01 118.68 114.83 1wfn s LEU 10 Ca 0.29 0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.41 1wfn s LEU 10 Cb 0.05 0.18 0.04 0.00 0.03 0.00 0.00 46.19 46.49 1wfn s LEU 10 CO 0.07 -0.04 0.20 0.52 0.23 0.00 0.00 176.35 177.33 1wfn n VAL 11 N 3.26-11.22 -3.86 -1.59 0.31 -1.26 -5.07 118.33 98.91 1wfn n VAL 11 Ca -0.15 2.32 -0.12 0.00 -0.01 0.00 0.00 64.34 66.38 1wfn n VAL 11 Cb 0.58 -6.01 -0.13 0.00 -0.91 0.00 0.00 33.84 27.36 1wfn n VAL 11 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1wfn s ARG 12 N -0.74 0.07 0.27 5.55 3.52 -1.26 -5.16 118.95 121.20 1wfn s ARG 12 Ca -0.24 0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.41 1wfn s ARG 12 Cb 0.02 0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.43 1wfn s ARG 12 CO 0.64 -0.01 0.31 0.25 -0.81 0.00 0.00 175.30 175.68 1wfn n THR 13 N 2.96 0.00 -3.60 4.11 -2.24 -1.26 -5.15 114.28 109.10 1wfn n THR 13 Ca -0.13 -1.60 -0.36 0.00 -2.27 0.00 0.00 64.05 59.68 1wfn n THR 13 Cb 0.59 0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 69.65 1wfn n THR 13 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1wfn s HIS 14 N -3.23 3.50 0.08 4.78 2.46 -1.26 -5.08 115.29 116.54 1wfn s HIS 14 Ca 0.26 0.60 0.09 0.00 0.47 0.00 0.00 55.06 56.48 1wfn s HIS 14 Cb 0.00 -2.27 -0.03 0.00 -0.13 0.00 0.00 32.58 30.15 1wfn s HIS 14 CO 0.19 0.35 -0.24 -1.21 -2.47 0.00 0.00 174.74 171.35 1wfn s GLU 15 N 0.11 1.42 -0.06 2.88 2.02 -1.26 -5.07 118.70 118.75 1wfn s GLU 15 Ca 0.16 -1.16 -0.05 0.00 0.02 0.00 0.00 54.97 53.94 1wfn s GLU 15 Cb -0.13 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.36 1wfn s GLU 15 CO 0.04 0.42 0.25 0.22 0.02 0.00 0.00 175.26 176.21 1wfn h ASP 16 N 4.35 -0.16 -1.87 -0.19 1.82 -1.98 -3.46 116.42 114.93 1wfn h ASP 16 Ca -0.47 0.01 -0.52 0.00 -0.39 0.00 0.00 57.03 55.66 1wfn h ASP 16 Cb 1.16 0.04 0.24 0.00 0.68 0.00 0.00 39.33 41.46 1wfn h ASP 16 CO 0.41 0.22 -1.92 1.33 -1.61 0.00 0.00 179.24 177.67 1wfn n VAL 17 N -4.37 0.00 -1.45 2.25 0.24 -1.26 -4.70 118.33 109.03 1wfn n VAL 17 Ca -0.02 -0.27 -0.28 0.00 -2.04 0.00 0.00 64.34 61.73 1wfn n VAL 17 Cb 0.08 -0.14 0.21 0.00 -1.47 0.00 0.00 33.84 32.52 1wfn n VAL 17 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1wfn n PRO 18 N 1.47 -2.12 0.00 7.34 -0.04 -1.26 -4.83 135.00 135.57 1wfn n PRO 18 Ca -0.01 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1wfn n PRO 18 Cb 0.63 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1wfn n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wfn n GLY 19 N -3.77 2.52 3.74 0.55 0.00 -1.20 -1.98 105.19 105.05 1wfn n GLY 19 Ca 0.15 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 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 3.40 4.60 0.90 1.61 0.04 -1.26 -3.76 135.00 140.53 1wfn s PRO 20 Ca 0.00 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 1wfn s PRO 20 Cb 0.00 -3.25 0.23 0.00 0.04 0.00 0.00 34.50 31.52 1wfn s PRO 20 CO 0.00 0.10 0.55 1.33 0.04 0.00 0.00 177.00 179.03 1wfn n VAL 21 N 2.07 0.00 0.00 -0.36 0.24 -1.26 -4.56 118.33 114.46 1wfn n VAL 21 Ca 0.02 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1wfn n VAL 21 Cb 0.46 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 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 -3.44 -3.50 3.38 7.63 0.00 -0.77 -4.79 105.19 103.71 1wfn n GLY 22 Ca 0.09 -0.85 -0.45 0.00 0.00 0.00 0.00 46.02 44.81 1wfn n GLY 22 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wfn s HIS 23 N 0.00 3.22 0.67 1.61 0.09 -1.26 -4.71 115.29 114.90 1wfn s HIS 23 Ca 0.00 -0.95 -0.17 0.00 -0.00 0.00 0.00 55.06 53.95 1wfn s HIS 23 Cb 0.00 -3.34 -0.07 0.00 -0.00 0.00 0.00 32.58 29.16 1wfn s HIS 23 CO 0.00 -0.88 0.37 1.28 -0.00 0.00 0.00 174.74 175.51 1wfn n LEU 24 N 5.36 -0.14 -3.92 0.89 4.32 -1.26 -4.47 117.00 117.78 1wfn n LEU 24 Ca -0.12 0.62 -0.10 0.00 -0.02 0.00 0.00 56.01 56.39 1wfn n LEU 24 Cb 0.43 -1.13 -0.10 0.00 -1.62 0.00 0.00 43.42 41.00 1wfn n LEU 24 CO 0.49 -3.47 -0.23 -0.55 -1.22 0.00 0.00 177.39 172.41 1wfn s SER 25 N -1.30 0.15 -0.05 -1.43 0.15 0.26 -4.89 113.70 106.58 1wfn s SER 25 Ca 0.64 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1wfn s SER 25 Cb -0.38 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.15 1wfn s SER 25 CO 0.59 -0.43 -0.02 -0.36 1.20 0.00 0.00 173.24 174.22 1wfn s PHE 26 N -2.06 0.66 0.30 3.44 0.08 -1.26 -0.16 117.98 118.98 1wfn s PHE 26 Ca -0.10 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 56.80 1wfn s PHE 26 Cb -0.04 -0.68 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 1wfn s PHE 26 CO -0.02 -0.23 0.31 -1.54 -0.10 0.00 0.00 175.22 173.63 1wfn s SER 27 N 1.31 1.03 -1.58 1.36 1.04 -0.14 -4.90 113.70 111.81 1wfn s SER 27 Ca -0.05 -1.56 -0.05 0.00 0.48 0.00 0.00 55.95 54.77 1wfn s SER 27 Cb -0.13 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.58 1wfn s SER 27 CO -0.02 -1.08 0.24 -0.62 0.98 0.00 0.00 173.24 172.74 1wfn n GLU 28 N -0.51 -1.56 -2.90 4.02 -0.58 -1.26 0.26 120.64 118.11 1wfn n GLU 28 Ca 0.04 0.18 -0.40 0.00 -0.42 0.00 0.00 57.16 56.57 1wfn n GLU 28 Cb 0.63 -4.06 -0.06 0.00 -0.57 0.00 0.00 31.44 27.38 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 -4.05 4.26 0.00 -3.67 1.01 -1.26 -3.75 121.20 113.74 1wfn s ILE 29 Ca 0.18 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.67 1wfn s ILE 29 Cb -0.10 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1wfn s ILE 29 CO 0.98 0.52 0.00 0.18 0.00 0.00 0.00 174.94 176.61 1wfn n LEU 30 N 1.56 0.00 -0.04 2.97 7.99 0.38 -4.55 117.00 125.31 1wfn n LEU 30 Ca -0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.91 1wfn n LEU 30 Cb 0.48 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.73 1wfn n LEU 30 CO 0.47 0.00 -0.77 -0.90 -1.51 0.00 0.00 177.39 174.69 1wfn n ASP 31 N 0.00 3.11 -1.03 -1.43 5.75 -1.25 0.16 116.55 121.85 1wfn n ASP 31 Ca 0.00 -0.01 0.02 0.00 -0.01 0.00 0.00 54.79 54.79 1wfn n ASP 31 Cb 0.00 0.51 0.01 0.00 -1.03 0.00 0.00 41.12 40.62 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 -2.39 0.02 -3.59 2.12 -2.24 -1.26 -1.01 114.28 105.92 1wfn n THR 32 Ca -0.14 -0.56 -0.14 0.00 -2.27 0.00 0.00 64.05 60.94 1wfn n THR 32 Cb 0.74 0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.55 -0.65 0.18 3.42 1.04 -1.26 0.13 113.70 115.01 1wfn s SER 33 Ca 0.18 1.06 -0.17 0.00 0.48 0.00 0.00 55.95 57.50 1wfn s SER 33 Cb 0.21 1.00 0.03 0.00 0.10 0.00 0.00 66.02 67.37 1wfn s SER 33 CO -0.09 -0.36 0.49 -1.48 0.98 0.00 0.00 173.24 172.77 1wfn s LEU 34 N -0.26 0.16 -0.22 2.42 0.05 0.04 0.14 118.68 121.01 1wfn s LEU 34 Ca -0.03 -0.44 -0.09 0.00 0.05 0.00 0.00 54.13 53.61 1wfn s LEU 34 Cb -0.03 2.05 -0.05 0.00 -2.05 0.00 0.00 46.19 46.11 1wfn s LEU 34 CO 0.03 -0.99 0.12 -0.75 -0.55 0.00 0.00 176.35 174.21 1wfn s LYS 35 N -3.86 4.01 -0.02 1.48 2.47 0.14 0.29 119.74 124.25 1wfn s LYS 35 Ca 0.08 -0.31 -0.02 0.00 -1.56 0.00 0.00 55.97 54.16 1wfn s LYS 35 Cb -0.00 -3.42 -0.04 0.00 -1.46 0.00 0.00 37.83 32.91 1wfn s LYS 35 CO -0.05 0.10 0.12 0.08 0.16 0.00 0.00 175.35 175.76 1wfn s VAL 36 N 0.90 5.04 0.11 4.02 1.01 0.25 -0.97 120.40 130.76 1wfn s VAL 36 Ca 0.06 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 1wfn s VAL 36 Cb -0.13 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1wfn s VAL 36 CO 0.03 0.38 0.19 -0.55 0.00 0.00 0.00 175.10 175.15 1wfn s SER 37 N -1.69 0.14 0.00 3.32 0.15 0.77 0.70 113.70 117.09 1wfn s SER 37 Ca 0.23 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1wfn s SER 37 Cb -0.12 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1wfn s SER 37 CO 0.14 -0.77 0.00 -2.67 1.20 0.00 0.00 173.24 171.14 1wfn n TRP 38 N -0.10 -0.63 -4.41 3.44 2.14 0.79 0.89 117.44 119.55 1wfn n TRP 38 Ca -0.12 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.22 1wfn n TRP 38 Cb 0.63 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 31.05 1wfn n TRP 38 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1wfn s GLN 39 N -1.87 1.90 0.07 -2.67 -0.21 -1.26 -4.81 119.66 110.80 1wfn s GLN 39 Ca 0.00 -2.14 -0.29 0.00 0.02 0.00 0.00 55.36 52.95 1wfn s GLN 39 Cb 0.00 -0.14 -0.05 0.00 1.00 0.00 0.00 33.01 33.82 1wfn s GLN 39 CO 0.00 -0.60 0.93 -1.21 -2.12 0.00 0.00 175.29 172.29 1wfn s GLU 40 N -3.54 4.63 0.52 2.91 2.02 -1.26 -1.84 118.70 122.14 1wfn s GLU 40 Ca 0.31 1.37 -0.19 0.00 0.02 0.00 0.00 54.97 56.49 1wfn s GLU 40 Cb 0.02 -3.40 -0.07 0.00 0.10 0.00 0.00 34.13 30.78 1wfn s GLU 40 CO 0.21 0.14 1.04 -1.25 0.02 0.00 0.00 175.26 175.43 1wfn s PRO 41 N 0.30 3.67 0.21 0.39 0.04 -1.26 -4.28 135.00 134.06 1wfn s PRO 41 Ca 0.47 1.29 0.26 0.00 0.04 0.00 0.00 61.00 63.06 1wfn s PRO 41 Cb -0.22 -2.08 0.72 0.00 0.04 0.00 0.00 34.50 32.96 1wfn s PRO 41 CO 0.28 -0.53 1.70 0.78 0.04 0.00 0.00 177.00 179.26 1wfn h GLY 42 N 1.20 0.00 -4.00 0.56 0.00 -1.93 -3.24 103.07 95.65 1wfn h GLY 42 Ca -0.49 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.19 1wfn h GLY 42 CO 0.59 0.00 0.85 1.18 0.00 0.00 0.00 176.54 179.16 1wfn n GLU 43 N -2.28 2.63 -0.52 4.80 -0.58 -1.26 -4.66 120.64 118.77 1wfn n GLU 43 Ca 0.05 -3.24 0.42 0.00 -0.42 0.00 0.00 57.16 53.97 1wfn n GLU 43 Cb 0.44 -2.27 0.72 0.00 -0.57 0.00 0.00 31.44 29.76 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 1.87 0.05 -7.00 3.49 1.57 -1.94 -3.17 116.57 111.43 1wfn h LYS 44 Ca 0.61 -0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.79 1wfn h LYS 44 Cb 1.07 -0.01 -0.29 0.00 0.08 0.00 0.00 32.23 33.08 1wfn h LYS 44 CO 1.53 0.03 -0.89 0.09 -0.57 0.00 0.00 179.45 179.64 1wfn n ASN 45 N -4.36 -0.48 0.00 0.86 3.02 -1.26 -4.33 115.26 108.71 1wfn n ASN 45 Ca 0.38 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1wfn n ASN 45 Cb 1.59 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.73 0.77 3.38 7.41 0.00 -1.26 -4.76 105.19 109.00 1wfn n GLY 46 Ca -0.09 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.94 4.67 0.20 -0.61 -1.09 -1.26 -5.05 121.20 116.11 1wfn s ILE 47 Ca 0.00 -0.85 -0.33 0.00 -2.23 0.00 0.00 60.65 57.24 1wfn s ILE 47 Cb 0.00 -3.62 -0.14 0.00 -1.58 0.00 0.00 42.46 37.12 1wfn s ILE 47 CO 0.00 -0.26 1.38 0.18 -1.23 0.00 0.00 174.94 175.01 1wfn n LEU 48 N 5.02 2.64 -0.01 2.97 4.77 -1.26 -3.78 117.00 127.35 1wfn n LEU 48 Ca -0.12 1.13 0.11 0.00 -0.03 0.00 0.00 56.01 57.10 1wfn n LEU 48 Cb 0.46 -1.36 -0.15 0.00 -2.33 0.00 0.00 43.42 40.04 1wfn n LEU 48 CO 0.37 -0.67 -0.55 0.35 -1.33 0.00 0.00 177.39 175.56 1wfn n THR 49 N 2.15 0.01 -1.59 -5.08 -2.24 0.53 -4.61 114.28 103.45 1wfn n THR 49 Ca 0.14 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1wfn n THR 49 Cb 0.28 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.32 -1.91 2.85 3.38 0.00 -0.51 -3.56 105.19 106.77 1wfn n GLY 50 Ca -0.02 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.43 0.93 -0.27 1.61 2.02 0.42 0.12 117.35 119.75 1wfn s TYR 51 Ca 0.00 -0.34 -0.21 0.00 -0.37 0.00 0.00 57.07 56.16 1wfn s TYR 51 Cb 0.00 -0.88 -0.01 0.00 -0.40 0.00 0.00 41.96 40.66 1wfn s TYR 51 CO 0.00 -0.33 0.66 0.50 -1.57 0.00 0.00 175.55 174.80 1wfn s ARG 52 N 1.56 4.07 0.01 -0.62 3.52 0.06 -1.40 118.95 126.14 1wfn s ARG 52 Ca -0.00 0.54 0.01 0.00 -0.13 0.00 0.00 55.73 56.15 1wfn s ARG 52 Cb -0.13 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 1wfn s ARG 52 CO -0.04 -0.47 0.04 -1.50 -0.81 0.00 0.00 175.30 172.52 1wfn s ILE 53 N 2.58 4.38 -0.24 4.11 2.07 -1.03 0.45 121.20 133.52 1wfn s ILE 53 Ca 0.27 -0.58 -0.03 0.00 -1.41 0.00 0.00 60.65 58.90 1wfn s ILE 53 Cb -0.15 -2.99 0.13 0.00 0.13 0.00 0.00 42.46 39.58 1wfn s ILE 53 CO 0.09 0.32 0.40 -0.44 -1.91 0.00 0.00 174.94 173.41 1wfn s SER 54 N -1.75 0.05 -0.00 4.50 0.01 0.18 -1.84 113.70 114.84 1wfn s SER 54 Ca 0.22 0.37 -0.01 0.00 1.31 0.00 0.00 55.95 57.84 1wfn s SER 54 Cb -0.12 1.23 -0.04 0.00 0.21 0.00 0.00 66.02 67.30 1wfn s SER 54 CO 0.13 -0.29 0.12 -1.66 0.41 0.00 0.00 173.24 171.96 1wfn s TRP 55 N 2.58 3.39 0.06 2.43 -2.14 -1.26 0.12 118.94 124.13 1wfn s TRP 55 Ca 0.12 0.26 -0.27 0.00 2.66 0.00 0.00 56.10 58.87 1wfn s TRP 55 Cb -0.15 -1.77 0.09 0.00 -3.10 0.00 0.00 33.47 28.54 1wfn s TRP 55 CO -0.16 0.59 0.84 -1.83 -2.66 0.00 0.00 176.95 173.73 1wfn s GLU 56 N -1.85 1.00 1.22 3.25 -1.05 -1.06 -2.62 118.70 117.59 1wfn s GLU 56 Ca 0.25 -0.41 -0.18 0.00 -0.15 0.00 0.00 54.97 54.48 1wfn s GLU 56 Cb -0.12 0.43 0.27 0.00 -0.44 0.00 0.00 34.13 34.27 1wfn s GLU 56 CO 0.16 -0.44 0.61 0.39 0.95 0.00 0.00 175.26 176.93 1wfn n GLU 57 N -0.31 -3.47 0.43 -4.83 -0.58 -1.22 0.16 120.64 110.81 1wfn n GLU 57 Ca -0.10 -1.03 -0.19 0.00 -0.42 0.00 0.00 57.16 55.42 1wfn n GLU 57 Cb 0.62 -1.69 -0.10 0.00 -0.57 0.00 0.00 31.44 29.70 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 -3.14 -1.28 -2.15 -0.32 3.20 0.69 -3.25 116.97 110.72 1wfn h TYR 58 Ca -0.32 -0.01 -0.55 0.00 3.14 0.00 0.00 58.73 60.98 1wfn h TYR 58 Cb 1.02 0.45 -0.41 0.00 1.54 0.00 0.00 36.73 39.34 1wfn h TYR 58 CO -3.36 -0.72 -0.86 -1.71 -1.64 0.00 0.00 178.16 169.87 1wfn n ASN 59 N -5.49 2.75 -3.61 -2.11 2.85 -1.26 -4.78 115.26 103.60 1wfn n ASN 59 Ca -0.14 -3.33 -0.05 0.00 -0.11 0.00 0.00 54.58 50.95 1wfn n ASN 59 Cb 0.49 -0.60 -0.07 0.00 1.24 0.00 0.00 39.78 40.84 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 -2.74 0.45 0.08 1.20 0.52 -1.26 -5.02 118.95 112.19 1wfn s ARG 60 Ca 0.43 1.20 0.15 0.00 -0.52 0.00 0.00 55.73 57.00 1wfn s ARG 60 Cb 0.27 0.55 -0.12 0.00 0.52 0.00 0.00 34.95 36.17 1wfn s ARG 60 CO -0.10 -0.26 0.91 1.15 0.02 0.00 0.00 175.30 177.02 1wfn h THR 61 N 6.09 0.66 -1.07 0.02 2.02 -1.95 -3.23 112.91 115.44 1wfn h THR 61 Ca -0.17 -2.19 0.31 0.00 0.77 0.00 0.00 66.41 65.12 1wfn h THR 61 Cb 1.11 2.18 -0.12 0.00 -1.74 0.00 0.00 68.15 69.58 1wfn h THR 61 CO 0.12 0.37 0.65 0.78 0.37 0.00 0.00 175.52 177.82 1wfn h ASN 62 N 0.00 0.48 -0.59 4.18 4.21 -2.00 1.41 115.58 123.28 1wfn h ASN 62 Ca -0.15 0.14 -0.36 0.00 1.21 0.00 0.00 56.30 57.13 1wfn h ASN 62 Cb 1.62 0.07 -0.18 0.00 -1.12 0.00 0.00 38.32 38.72 1wfn h ASN 62 CO 0.06 -0.02 0.47 0.35 -1.29 0.00 0.00 177.43 176.99 1wfn n THR 63 N -4.82 2.69 -3.45 2.81 -2.24 -1.25 -4.89 114.28 103.13 1wfn n THR 63 Ca 0.30 -1.60 -0.38 0.00 -2.27 0.00 0.00 64.05 60.10 1wfn n THR 63 Cb 0.97 -1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.14 4.12 0.15 -0.78 6.06 0.48 -3.71 118.95 123.14 1wfn s ARG 64 Ca 0.37 0.07 0.07 0.00 -2.50 0.00 0.00 55.73 53.73 1wfn s ARG 64 Cb 0.30 -3.56 -0.04 0.00 0.06 0.00 0.00 34.95 31.71 1wfn s ARG 64 CO 0.02 -0.06 0.00 0.54 -2.50 0.00 0.00 175.30 173.30 1wfn s VAL 65 N 1.40 3.80 -0.19 7.11 0.11 -1.08 -5.00 120.40 126.55 1wfn s VAL 65 Ca 0.16 -1.31 0.01 0.00 -2.93 0.00 0.00 61.98 57.91 1wfn s VAL 65 Cb -0.15 -2.89 0.04 0.00 -1.53 0.00 0.00 36.38 31.85 1wfn s VAL 65 CO 0.08 -0.05 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.77 1wfn s THR 66 N -1.62 1.81 0.18 5.04 2.01 -1.26 -4.04 115.64 117.76 1wfn s THR 66 Ca 0.27 -1.01 0.07 0.00 0.31 0.00 0.00 61.69 61.33 1wfn s THR 66 Cb -0.10 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1wfn s THR 66 CO 0.18 0.29 -0.14 -1.00 -0.69 0.00 0.00 174.62 173.26 1wfn s HIS 67 N 1.34 1.61 -0.06 4.92 3.76 -0.77 -5.03 115.29 121.07 1wfn s HIS 67 Ca 0.00 -0.59 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 1wfn s HIS 67 Cb -0.15 -0.77 0.02 0.00 1.11 0.00 0.00 32.58 32.78 1wfn s HIS 67 CO -0.09 0.28 -0.08 0.71 -0.85 0.00 0.00 174.74 174.71 1wfn s TYR 68 N -2.83 1.10 0.26 1.40 2.02 -1.26 -2.46 117.35 115.58 1wfn s TYR 68 Ca 0.19 -0.39 0.11 0.00 -0.37 0.00 0.00 57.07 56.61 1wfn s TYR 68 Cb -0.01 -0.89 -0.05 0.00 -0.40 0.00 0.00 41.96 40.61 1wfn s TYR 68 CO 0.05 -0.26 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.08 1wfn s LEU 69 N 0.92 2.58 1.08 -1.29 1.43 -0.49 -4.96 118.68 117.95 1wfn s LEU 69 Ca -0.11 -1.03 -0.17 0.00 -1.03 0.00 0.00 54.13 51.79 1wfn s LEU 69 Cb -0.15 -0.98 0.24 0.00 0.03 0.00 0.00 46.19 45.34 1wfn s LEU 69 CO 0.01 -0.03 1.22 -2.16 0.23 0.00 0.00 176.35 175.62 1wfn s PRO 70 N -3.55 -0.25 -0.19 1.29 0.04 -1.26 -0.44 135.00 130.64 1wfn s PRO 70 Ca 0.28 -0.23 0.02 0.00 0.04 0.00 0.00 61.00 61.11 1wfn s PRO 70 Cb -0.04 -1.73 0.29 0.00 0.04 0.00 0.00 34.50 33.07 1wfn s PRO 70 CO 0.13 -3.04 1.39 0.27 0.04 0.00 0.00 177.00 175.79 1wfn n ASN 71 N -4.25 3.32 0.00 6.66 6.94 -1.23 -3.43 115.26 123.27 1wfn n ASN 71 Ca 0.14 -2.69 0.00 0.00 -0.02 0.00 0.00 54.58 52.01 1wfn n ASN 71 Cb 0.59 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 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 -0.21 0.00 -3.37 3.53 0.24 -1.26 -4.95 118.33 112.31 1wfn n VAL 72 Ca 0.26 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.19 1wfn n VAL 72 Cb 1.00 -0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 32.70 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 -1.74 4.87 0.00 3.34 2.01 -1.22 -4.95 115.64 117.94 1wfn s THR 73 Ca 0.00 0.92 0.00 0.00 0.31 0.00 0.00 61.69 62.92 1wfn s THR 73 Cb 0.00 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.74 1wfn s THR 73 CO 0.00 0.39 0.62 0.18 -0.69 0.00 0.00 174.62 175.12 1wfn n LEU 74 N 1.24 0.63 -3.96 4.42 4.77 -1.26 -4.74 117.00 118.10 1wfn n LEU 74 Ca -0.08 -0.63 -0.10 0.00 -0.03 0.00 0.00 56.01 55.17 1wfn n LEU 74 Cb 0.52 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1wfn n LEU 74 CO 0.41 0.16 -0.33 -1.83 -1.33 0.00 0.00 177.39 174.48 1wfn s GLU 75 N -0.30 0.33 -0.27 3.23 -1.05 -1.25 -0.15 118.70 119.23 1wfn s GLU 75 Ca 0.00 -0.54 -0.23 0.00 -0.15 0.00 0.00 54.97 54.05 1wfn s GLU 75 Cb 0.00 0.12 0.07 0.00 -0.44 0.00 0.00 34.13 33.89 1wfn s GLU 75 CO 0.00 -0.06 0.72 -0.47 0.95 0.00 0.00 175.26 176.40 1wfn s TYR 76 N -1.38 -0.85 0.02 4.83 6.14 0.22 -4.94 117.35 121.39 1wfn s TYR 76 Ca -0.15 1.96 -0.24 0.00 0.64 0.00 0.00 57.07 59.28 1wfn s TYR 76 Cb -0.09 0.37 -0.05 0.00 0.42 0.00 0.00 41.96 42.61 1wfn s TYR 76 CO -0.00 -0.41 0.74 0.50 0.64 0.00 0.00 175.55 177.01 1wfn s ARG 77 N 0.71 4.47 0.11 4.97 3.52 -1.26 0.86 118.95 132.32 1wfn s ARG 77 Ca -0.03 1.01 0.03 0.00 -0.13 0.00 0.00 55.73 56.61 1wfn s ARG 77 Cb -0.05 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 1wfn s ARG 77 CO -0.05 0.25 0.16 0.54 -0.81 0.00 0.00 175.30 175.39 1wfn s VAL 78 N 0.08 4.85 -0.15 7.11 0.11 0.84 -4.91 120.40 128.34 1wfn s VAL 78 Ca 0.38 -0.74 -0.19 0.00 -2.93 0.00 0.00 61.98 58.50 1wfn s VAL 78 Cb -0.20 -3.40 0.05 0.00 -1.53 0.00 0.00 36.38 31.30 1wfn s VAL 78 CO 0.22 0.04 0.50 0.42 -3.33 0.00 0.00 175.10 172.95 1wfn s THR 79 N -1.56 0.01 0.00 5.04 -4.23 -1.25 -0.78 115.64 112.87 1wfn s THR 79 Ca 0.32 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 1wfn s THR 79 Cb -0.12 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1wfn s THR 79 CO 0.25 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1wfn n GLY 80 N 2.34 1.73 0.00 3.99 0.00 0.35 -4.95 105.19 108.65 1wfn n GLY 80 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.16 0.99 4.77 0.08 -5.03 117.00 113.65 1wfn n LEU 81 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 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 -0.46 -0.89 -1.33 0.00 0.00 177.39 174.71 1wfn s THR 82 N 1.81 1.10 0.35 -5.08 2.01 -1.23 -4.68 115.64 109.91 1wfn s THR 82 Ca 0.00 -1.21 -0.27 0.00 0.31 0.00 0.00 61.69 60.51 1wfn s THR 82 Cb 0.00 -1.04 -0.09 0.00 0.01 0.00 0.00 72.50 71.37 1wfn s THR 82 CO 0.00 -0.16 1.19 0.00 -0.69 0.00 0.00 174.62 174.95 1wfn s ALA 83 N -1.16 3.31 -1.13 7.40 0.00 -0.18 -3.47 121.76 126.54 1wfn s ALA 83 Ca -0.01 1.03 -0.31 0.00 0.00 0.00 0.00 51.96 52.66 1wfn s ALA 83 Cb -0.09 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.68 1wfn s ALA 83 CO 0.02 -0.47 0.64 1.28 0.00 0.00 0.00 175.76 177.23 1wfn n LEU 84 N 0.55 -0.22 -3.96 0.00 4.77 -1.26 -4.94 117.00 111.94 1wfn n LEU 84 Ca 0.02 -1.23 -0.14 0.00 -0.03 0.00 0.00 56.01 54.62 1wfn n LEU 84 Cb 0.45 -1.50 -0.14 0.00 -2.33 0.00 0.00 43.42 39.90 1wfn n LEU 84 CO 0.54 0.77 -0.39 -0.89 -1.33 0.00 0.00 177.39 176.08 1wfn s THR 85 N -3.55 0.35 -0.26 -5.08 2.01 -1.23 -4.90 115.64 102.98 1wfn s THR 85 Ca 0.44 -0.35 -0.28 0.00 0.31 0.00 0.00 61.69 61.81 1wfn s THR 85 Cb -0.24 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 71.95 1wfn s THR 85 CO 0.93 -0.01 1.01 -0.89 -0.69 0.00 0.00 174.62 174.97 1wfn s THR 86 N -0.35 4.66 0.05 -0.82 2.01 -1.26 -0.46 115.64 119.47 1wfn s THR 86 Ca -0.01 1.83 0.08 0.00 0.31 0.00 0.00 61.69 63.90 1wfn s THR 86 Cb -0.03 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 1wfn s THR 86 CO -0.00 -0.26 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.14 1wfn s TYR 87 N 3.27 1.94 -0.32 4.92 1.51 0.37 0.13 117.35 129.18 1wfn s TYR 87 Ca 0.42 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 56.07 1wfn s TYR 87 Cb -0.14 -1.15 0.06 0.00 -0.11 0.00 0.00 41.96 40.61 1wfn s TYR 87 CO 0.09 0.11 0.04 0.99 -1.11 0.00 0.00 175.55 175.67 1wfn s THR 88 N -0.82 3.12 -0.29 -0.71 2.01 0.41 0.16 115.64 119.52 1wfn s THR 88 Ca 0.09 -1.43 -0.22 0.00 0.31 0.00 0.00 61.69 60.44 1wfn s THR 88 Cb -0.09 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1wfn s THR 88 CO 0.02 -0.18 0.71 -0.63 -0.69 0.00 0.00 174.62 173.85 1wfn s ILE 89 N 1.26 4.88 -0.32 1.82 -1.09 -0.68 -2.55 121.20 124.51 1wfn s ILE 89 Ca -0.03 1.10 -0.11 0.00 -2.23 0.00 0.00 60.65 59.38 1wfn s ILE 89 Cb -0.20 -4.06 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 1wfn s ILE 89 CO -0.01 -0.15 0.18 -1.61 -1.23 0.00 0.00 174.94 172.12 1wfn s GLU 90 N 2.76 3.41 -0.23 2.79 2.02 0.33 -1.65 118.70 128.13 1wfn s GLU 90 Ca 0.29 -0.68 -0.03 0.00 0.02 0.00 0.00 54.97 54.58 1wfn s GLU 90 Cb -0.15 -3.65 0.01 0.00 0.10 0.00 0.00 34.13 30.44 1wfn s GLU 90 CO 0.11 -0.42 -0.07 0.08 0.02 0.00 0.00 175.26 174.99 1wfn s VAL 91 N 1.66 3.05 0.34 2.63 1.01 0.06 0.47 120.40 129.61 1wfn s VAL 91 Ca 0.05 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.38 1wfn s VAL 91 Cb -0.17 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1wfn s VAL 91 CO 0.08 0.35 0.06 0.00 0.00 0.00 0.00 175.10 175.59 1wfn s ALA 92 N 1.40 3.31 -0.13 5.51 0.00 0.17 0.61 121.76 132.63 1wfn s ALA 92 Ca 0.04 -1.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.09 1wfn s ALA 92 Cb -0.15 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1wfn s ALA 92 CO -0.05 0.06 -0.09 0.00 0.00 0.00 0.00 175.76 175.69 1wfn s ALA 93 N -2.48 2.82 -0.09 0.00 0.00 -1.23 -0.77 121.76 120.02 1wfn s ALA 93 Ca 0.36 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 1wfn s ALA 93 Cb -0.01 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1wfn s ALA 93 CO 0.21 0.29 -0.05 -1.64 0.00 0.00 0.00 175.76 174.57 1wfn s MET 94 N 0.15 3.04 0.00 0.00 -1.94 0.33 -0.66 119.30 120.22 1wfn s MET 94 Ca -0.04 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 53.42 1wfn s MET 94 Cb -0.14 -2.71 0.00 0.00 2.01 0.00 0.00 34.83 33.99 1wfn s MET 94 CO 0.04 0.55 0.00 0.25 -0.01 0.00 0.00 175.02 175.85 1wfn n THR 95 N 2.57 0.00 1.71 2.05 -2.24 0.39 0.20 114.28 118.96 1wfn n THR 95 Ca -0.18 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1wfn n THR 95 Cb 0.53 -0.02 0.71 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.75 0.00 -0.07 3.42 7.64 -1.25 -3.05 113.62 119.56 1wfn n SER 96 Ca 0.00 -0.96 -0.10 0.00 1.01 0.00 0.00 58.87 58.82 1wfn n SER 96 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 -0.94 0.34 0.00 1.43 -0.00 -1.26 -5.13 118.16 112.60 1wfn n LYS 97 Ca 0.18 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 1wfn n LYS 97 Cb 0.08 -1.26 0.00 0.00 -0.00 0.00 0.00 35.03 33.85 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 2.80 -0.56 3.74 2.58 0.00 -1.17 -5.05 105.19 107.53 1wfn n GLY 98 Ca -0.25 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.58 3.08 0.00 1.61 0.74 -1.26 0.15 119.66 122.39 1wfn s GLN 99 Ca 0.00 -0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.04 1wfn s GLN 99 Cb 0.00 -2.88 0.00 0.00 1.10 0.00 0.00 33.01 31.23 1wfn s GLN 99 CO 0.00 0.71 0.00 0.41 -0.55 0.00 0.00 175.29 175.86 1wfn n GLY 100 N 1.96 2.83 3.05 2.59 0.00 0.17 -4.82 105.19 110.97 1wfn n GLY 100 Ca -0.18 -1.93 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.23 -3.78 1.61 7.27 -0.84 -4.57 117.38 115.85 1wfn n GLN 101 Ca 0.00 -0.36 -0.13 0.00 0.07 0.00 0.00 57.00 56.58 1wfn n GLN 101 Cb 0.00 -1.36 -0.14 0.00 2.41 0.00 0.00 30.24 31.15 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 -2.09 -0.03 -0.54 1.69 0.11 -1.26 -3.53 120.40 114.75 1wfn s VAL 102 Ca 0.37 0.13 -0.17 0.00 -2.93 0.00 0.00 61.98 59.38 1wfn s VAL 102 Cb -0.03 -0.20 0.10 0.00 -1.53 0.00 0.00 36.38 34.72 1wfn s VAL 102 CO 0.47 0.05 0.56 -0.44 -3.33 0.00 0.00 175.10 172.42 1wfn s SER 103 N 0.81 6.18 -0.31 3.54 0.01 0.20 -4.84 113.70 119.30 1wfn s SER 103 Ca -0.06 -1.43 -0.11 0.00 1.31 0.00 0.00 55.95 55.66 1wfn s SER 103 Cb -0.08 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1wfn s SER 103 CO -0.04 -0.90 0.18 0.00 0.41 0.00 0.00 173.24 172.90 1wfn s ALA 104 N 2.12 3.39 -0.08 1.44 0.00 -1.25 -0.76 121.76 126.62 1wfn s ALA 104 Ca 0.08 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 50.77 1wfn s ALA 104 Cb -0.25 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 1wfn s ALA 104 CO 0.06 -0.84 -0.24 -1.12 0.00 0.00 0.00 175.76 173.62 1wfn s SER 105 N 1.67 3.10 0.22 0.00 0.01 -0.66 -3.95 113.70 114.09 1wfn s SER 105 Ca 0.06 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 1wfn s SER 105 Cb -0.17 -1.15 -0.08 0.00 0.21 0.00 0.00 66.02 64.83 1wfn s SER 105 CO 0.08 0.20 1.05 -0.89 0.41 0.00 0.00 173.24 174.10 1wfn s THR 106 N 0.10 3.83 -0.16 1.44 2.01 -1.26 -1.69 115.64 119.90 1wfn s THR 106 Ca -0.12 1.71 -0.10 0.00 0.31 0.00 0.00 61.69 63.50 1wfn s THR 106 Cb -0.16 -4.09 0.06 0.00 0.01 0.00 0.00 72.50 68.32 1wfn s THR 106 CO 0.06 0.36 0.40 -0.51 -0.69 0.00 0.00 174.62 174.24 1wfn s ILE 107 N -0.74 -0.02 -0.29 1.82 1.10 0.42 -4.96 121.20 118.53 1wfn s ILE 107 Ca 0.46 0.08 -0.13 0.00 -0.51 0.00 0.00 60.65 60.55 1wfn s ILE 107 Cb -0.29 -0.59 -0.04 0.00 0.15 0.00 0.00 42.46 41.69 1wfn s ILE 107 CO 0.36 0.03 0.26 -0.55 -2.11 0.00 0.00 174.94 172.94 1wfn s SER 108 N 1.23 6.10 0.45 4.50 0.15 -1.26 0.14 113.70 125.02 1wfn s SER 108 Ca -0.08 0.00 -0.15 0.00 0.70 0.00 0.00 55.95 56.42 1wfn s SER 108 Cb -0.08 -2.15 -0.13 0.00 -1.71 0.00 0.00 66.02 61.95 1wfn s SER 108 CO -0.11 -0.14 -0.14 -1.54 1.20 0.00 0.00 173.24 172.52 1wfn n SER 109 N 5.17 -3.22 0.00 5.45 3.41 0.40 -4.83 113.62 120.00 1wfn n SER 109 Ca -0.12 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1wfn n SER 109 Cb 0.51 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 2.17 -1.78 3.64 5.00 0.00 0.41 -4.26 105.19 110.38 1wfn n GLY 110 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 0.79 -4.49 120.40 118.39 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 1.21 -2.16 -3.33 0.00 0.00 175.10 170.82 1wfn s PRO 112 N -0.18 4.37 0.28 1.54 0.04 -1.26 -3.96 135.00 135.83 1wfn s PRO 112 Ca 0.07 1.71 0.25 0.00 0.04 0.00 0.00 61.00 63.07 1wfn s PRO 112 Cb -0.04 -3.51 0.90 0.00 0.04 0.00 0.00 34.50 31.89 1wfn s PRO 112 CO -0.12 -0.40 1.76 -1.00 0.04 0.00 0.00 177.00 177.27 1wfn h PRO 113 N 7.31 0.00 -6.31 0.56 0.13 -2.01 -3.41 132.00 128.27 1wfn h PRO 113 Ca -0.36 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.22 1wfn h PRO 113 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 1wfn h PRO 113 CO 0.86 0.00 1.04 -1.12 -0.23 0.00 0.00 178.00 178.56 1wfn s SER 114 N -4.63 6.17 0.00 1.44 0.01 -1.26 -4.45 113.70 110.97 1wfn s SER 114 Ca 0.07 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1wfn s SER 114 Cb 0.10 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1wfn s SER 114 CO 0.51 -1.81 0.00 0.61 0.41 0.00 0.00 173.24 172.96 1wfn n GLY 115 N 5.41 0.65 3.74 3.44 0.00 -1.26 -5.07 105.19 112.09 1wfn n GLY 115 Ca 0.03 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1wfn n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfn s PRO 116 N -0.17 4.60 0.14 1.61 0.04 -1.26 -5.01 135.00 134.94 1wfn s PRO 116 Ca 0.00 1.75 -0.24 0.00 0.04 0.00 0.00 61.00 62.55 1wfn s PRO 116 Cb 0.00 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.36 1wfn s PRO 116 CO 0.00 0.10 0.70 -1.12 0.04 0.00 0.00 177.00 176.72 1wfn s SER 117 N -0.29 -0.46 0.44 6.66 0.01 -1.26 -5.08 113.70 113.72 1wfn s SER 117 Ca 0.48 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1wfn s SER 117 Cb -0.30 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1wfn s SER 117 CO 0.37 -0.94 0.00 -1.20 0.41 0.00 0.00 173.24 171.88 1wfn n SER 118 N -0.37 -3.86 0.00 2.44 7.64 -1.26 -5.23 113.62 112.98 1wfn n SER 118 Ca -0.13 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1wfn n SER 118 Cb 0.63 3.62 0.00 0.00 -1.01 0.00 0.00 64.21 67.45 1wfn n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64