#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 1.13 0.40 1.61 0.01 -1.26 -5.14 113.70 110.46 1wfn s SER 2 Ca 0.00 -1.86 0.07 0.00 1.31 0.00 0.00 55.95 55.48 1wfn s SER 2 Cb 0.00 0.45 -0.06 0.00 0.21 0.00 0.00 66.02 66.62 1wfn s SER 2 CO 0.00 -0.23 0.11 -0.44 0.41 0.00 0.00 173.24 173.09 1wfn s SER 3 N 1.16 4.25 0.00 2.44 0.01 -1.26 -5.15 113.70 115.14 1wfn s SER 3 Ca 0.20 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1wfn s SER 3 Cb -0.12 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.64 1wfn s SER 3 CO -0.04 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1wfn n GLY 4 N -1.13 2.99 3.15 3.44 0.00 -1.26 -5.09 105.19 107.29 1wfn n GLY 4 Ca -0.03 -1.85 0.06 0.00 0.00 0.00 0.00 46.02 44.20 1wfn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfn s SER 5 N -0.31 -0.07 0.61 1.61 1.04 -1.26 -5.15 113.70 110.16 1wfn s SER 5 Ca 0.00 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1wfn s SER 5 Cb 0.00 1.06 0.00 0.00 0.10 0.00 0.00 66.02 67.18 1wfn s SER 5 CO 0.00 -0.01 0.00 -1.20 0.98 0.00 0.00 173.24 173.01 1wfn n SER 6 N 5.38 -8.09 -4.87 7.02 7.64 -1.26 -4.88 113.62 114.56 1wfn n SER 6 Ca -0.05 1.39 -0.30 0.00 1.01 0.00 0.00 58.87 60.92 1wfn n SER 6 Cb 0.56 -4.96 -0.02 0.00 -1.01 0.00 0.00 64.21 58.78 1wfn n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfn s GLY 7 N -7.29 1.81 -0.20 0.23 0.00 -1.26 -5.01 107.32 95.60 1wfn s GLY 7 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 44.72 44.25 1wfn s GLY 7 CO 0.00 0.04 1.29 2.56 0.00 0.00 0.00 173.10 176.99 1wfn s PRO 8 N -4.34 4.14 -0.73 2.90 0.04 -1.26 -4.95 135.00 130.80 1wfn s PRO 8 Ca 0.52 1.58 0.04 0.00 0.04 0.00 0.00 61.00 63.18 1wfn s PRO 8 Cb -0.10 -3.81 0.25 0.00 0.04 0.00 0.00 34.50 30.88 1wfn s PRO 8 CO 0.39 -0.83 0.85 0.94 0.04 0.00 0.00 177.00 178.39 1wfn n GLN 9 N 6.82 2.81 -3.55 4.56 7.27 -1.26 -5.01 117.38 129.03 1wfn n GLN 9 Ca 0.14 -4.63 -0.15 0.00 0.07 0.00 0.00 57.00 52.43 1wfn n GLN 9 Cb 0.45 -2.31 -0.06 0.00 2.41 0.00 0.00 30.24 30.73 1wfn n GLN 9 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1wfn s LEU 10 N -2.40 -0.56 -0.05 1.69 2.96 -1.26 -5.12 118.68 113.93 1wfn s LEU 10 Ca 0.37 0.66 -0.40 0.00 -0.22 0.00 0.00 54.13 54.54 1wfn s LEU 10 Cb 0.10 2.30 -0.18 0.00 0.50 0.00 0.00 46.19 48.91 1wfn s LEU 10 CO -0.01 -0.49 1.29 0.55 -1.32 0.00 0.00 176.35 176.37 1wfn n VAL 11 N 0.99 0.03 0.01 1.68 3.14 -1.26 -4.86 118.33 118.05 1wfn n VAL 11 Ca -0.16 -0.01 -0.02 0.00 -2.96 0.00 0.00 64.34 61.19 1wfn n VAL 11 Cb 0.57 -0.45 -0.01 0.00 -1.06 0.00 0.00 33.84 32.89 1wfn n VAL 11 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1wfn n ARG 12 N 2.50 0.14 0.00 1.45 0.63 -1.26 -5.11 116.66 115.01 1wfn n ARG 12 Ca 0.21 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1wfn n ARG 12 Cb 0.11 -0.72 0.00 0.00 0.45 0.00 0.00 32.46 32.29 1wfn n ARG 12 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1wfn n THR 13 N -3.69 0.00 -2.48 5.15 -2.24 -1.26 -4.30 114.28 105.45 1wfn n THR 13 Ca -0.04 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 1wfn n THR 13 Cb 0.14 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 1wfn n THR 13 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1wfn s HIS 14 N 0.00 2.89 -0.19 4.78 -3.43 -1.26 -4.99 115.29 113.09 1wfn s HIS 14 Ca 0.00 1.04 -0.17 0.00 -0.80 0.00 0.00 55.06 55.13 1wfn s HIS 14 Cb 0.00 -3.65 0.05 0.00 -1.43 0.00 0.00 32.58 27.55 1wfn s HIS 14 CO 0.00 -1.42 0.51 -1.21 -2.00 0.00 0.00 174.74 170.63 1wfn s GLU 15 N 3.73 0.59 -0.09 -0.38 2.02 -1.26 -5.08 118.70 118.24 1wfn s GLU 15 Ca 0.53 0.74 -0.05 0.00 0.02 0.00 0.00 54.97 56.20 1wfn s GLU 15 Cb -0.18 0.26 -0.02 0.00 0.10 0.00 0.00 34.13 34.30 1wfn s GLU 15 CO 0.17 -0.08 -0.10 0.22 0.02 0.00 0.00 175.26 175.48 1wfn h ASP 16 N 5.53 0.00 -1.81 -0.19 1.82 -1.96 -3.48 116.42 116.33 1wfn h ASP 16 Ca -0.28 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 55.84 1wfn h ASP 16 Cb 1.18 0.00 0.24 0.00 0.68 0.00 0.00 39.33 41.43 1wfn h ASP 16 CO 0.19 0.46 -1.97 1.33 -1.61 0.00 0.00 179.24 177.64 1wfn n VAL 17 N -3.73 0.00 -1.36 2.25 0.24 -1.26 -4.71 118.33 109.75 1wfn n VAL 17 Ca -0.04 -0.25 -0.24 0.00 -2.04 0.00 0.00 64.34 61.76 1wfn n VAL 17 Cb 0.16 -0.13 0.19 0.00 -1.47 0.00 0.00 33.84 32.58 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 1.53 -1.91 0.00 7.34 -0.04 -1.26 -4.83 135.00 135.83 1wfn n PRO 18 Ca -0.01 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1wfn n PRO 18 Cb 0.64 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 -2.82 3.16 3.73 0.55 0.00 -1.22 -2.01 105.19 106.58 1wfn n GLY 19 Ca 0.13 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 3.00 4.55 1.19 1.61 0.04 -1.26 -3.93 135.00 140.20 1wfn s PRO 20 Ca 0.00 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.62 1wfn s PRO 20 Cb 0.00 -3.29 0.23 0.00 0.04 0.00 0.00 34.50 31.49 1wfn s PRO 20 CO 0.00 -0.01 0.58 1.33 0.04 0.00 0.00 177.00 178.94 1wfn n VAL 21 N 2.69 0.00 0.00 -0.36 0.24 -1.26 -4.47 118.33 115.17 1wfn n VAL 21 Ca 0.04 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1wfn n VAL 21 Cb 0.46 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 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 1.59 -2.06 3.63 7.63 0.00 -0.48 -4.77 105.19 110.73 1wfn n GLY 22 Ca 0.03 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.57 -0.87 0.42 1.61 -3.43 -1.26 -4.87 115.29 106.32 1wfn s HIS 23 Ca 0.00 1.92 -0.26 0.00 -0.80 0.00 0.00 55.06 55.92 1wfn s HIS 23 Cb 0.00 0.42 -0.09 0.00 -1.43 0.00 0.00 32.58 31.48 1wfn s HIS 23 CO 0.00 -0.42 1.43 -0.51 -2.00 0.00 0.00 174.74 173.24 1wfn s LEU 24 N 0.89 4.20 -0.06 5.38 2.01 -1.26 -4.10 118.68 125.75 1wfn s LEU 24 Ca -0.04 2.93 -0.02 0.00 0.01 0.00 0.00 54.13 57.01 1wfn s LEU 24 Cb -0.05 -3.83 0.04 0.00 0.01 0.00 0.00 46.19 42.35 1wfn s LEU 24 CO -0.08 -1.02 0.13 -0.44 1.01 0.00 0.00 176.35 175.94 1wfn s SER 25 N -0.41 -0.08 -0.08 2.29 0.01 0.37 -4.94 113.70 110.86 1wfn s SER 25 Ca 0.57 0.26 0.04 0.00 1.31 0.00 0.00 55.95 58.13 1wfn s SER 25 Cb -0.44 0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1wfn s SER 25 CO 0.58 -0.15 -0.21 -0.36 0.41 0.00 0.00 173.24 173.52 1wfn s PHE 26 N 1.15 2.20 0.29 2.43 0.08 -1.26 0.18 117.98 123.05 1wfn s PHE 26 Ca -0.09 -0.83 0.00 0.00 0.12 0.00 0.00 56.93 56.13 1wfn s PHE 26 Cb -0.12 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 1wfn s PHE 26 CO -0.05 -0.34 0.31 -1.54 -0.10 0.00 0.00 175.22 173.50 1wfn s SER 27 N 0.32 0.88 -1.75 1.36 1.04 -0.75 -4.89 113.70 109.93 1wfn s SER 27 Ca -0.15 -1.50 -0.16 0.00 0.48 0.00 0.00 55.95 54.62 1wfn s SER 27 Cb -0.16 0.54 0.15 0.00 0.10 0.00 0.00 66.02 66.65 1wfn s SER 27 CO 0.06 -1.08 0.47 -0.62 0.98 0.00 0.00 173.24 173.06 1wfn n GLU 28 N -0.49 -1.32 -2.44 4.02 -0.58 -1.26 -1.18 120.64 117.39 1wfn n GLU 28 Ca 0.03 0.18 -0.34 0.00 -0.42 0.00 0.00 57.16 56.61 1wfn n GLU 28 Cb 0.63 -4.48 -0.02 0.00 -0.57 0.00 0.00 31.44 26.99 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 -3.58 3.66 0.00 -3.67 1.01 -1.26 -4.11 121.20 113.24 1wfn s ILE 29 Ca 0.56 1.01 0.00 0.00 0.00 0.00 0.00 60.65 62.22 1wfn s ILE 29 Cb -0.32 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1wfn s ILE 29 CO 1.00 -0.25 0.00 0.18 0.00 0.00 0.00 174.94 175.87 1wfn n LEU 30 N -1.13 0.00 -0.05 2.97 4.77 0.23 -4.72 117.00 119.06 1wfn n LEU 30 Ca 0.10 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.07 1wfn n LEU 30 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 1wfn n LEU 30 CO 0.41 0.00 -0.90 -0.90 -1.33 0.00 0.00 177.39 174.66 1wfn n ASP 31 N 0.00 0.93 -1.14 -1.43 5.75 -1.25 0.21 116.55 119.62 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 1.28 -0.02 0.00 -1.03 0.00 0.00 41.12 41.35 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 -2.41 0.00 -3.63 2.12 -2.24 -1.26 0.11 114.28 106.98 1wfn n THR 32 Ca -0.17 -0.42 -0.04 0.00 -2.27 0.00 0.00 64.05 61.15 1wfn n THR 32 Cb 0.80 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.34 -0.84 0.01 3.42 1.04 -1.26 -1.74 113.70 112.99 1wfn s SER 33 Ca 0.14 1.29 -0.14 0.00 0.48 0.00 0.00 55.95 57.72 1wfn s SER 33 Cb 0.16 1.49 0.02 0.00 0.10 0.00 0.00 66.02 67.80 1wfn s SER 33 CO -0.07 -0.20 0.31 -1.48 0.98 0.00 0.00 173.24 172.78 1wfn s LEU 34 N 1.80 0.85 -0.03 2.42 0.05 -0.68 0.75 118.68 123.83 1wfn s LEU 34 Ca -0.09 -0.04 -0.11 0.00 0.05 0.00 0.00 54.13 53.94 1wfn s LEU 34 Cb -0.06 1.32 -0.05 0.00 -2.05 0.00 0.00 46.19 45.35 1wfn s LEU 34 CO -0.18 -0.53 0.30 -0.75 -0.55 0.00 0.00 176.35 174.63 1wfn s LYS 35 N -1.93 3.70 -0.09 1.48 2.20 -0.33 0.16 119.74 124.93 1wfn s LYS 35 Ca -0.09 0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.70 1wfn s LYS 35 Cb -0.03 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.11 1wfn s LYS 35 CO 0.01 0.71 -0.21 0.08 -0.36 0.00 0.00 175.35 175.57 1wfn s VAL 36 N -1.12 2.39 0.10 4.02 1.01 0.29 -1.80 120.40 125.29 1wfn s VAL 36 Ca 0.22 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1wfn s VAL 36 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1wfn s VAL 36 CO 0.11 0.56 -0.09 -0.55 0.00 0.00 0.00 175.10 175.12 1wfn s SER 37 N 0.12 1.41 0.00 3.32 0.15 0.47 0.14 113.70 119.31 1wfn s SER 37 Ca -0.10 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.67 1wfn s SER 37 Cb -0.16 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 1wfn s SER 37 CO 0.06 -0.32 0.00 -2.67 1.20 0.00 0.00 173.24 171.51 1wfn n TRP 38 N 0.34 -0.81 -4.39 3.44 2.14 0.14 0.14 117.44 118.44 1wfn n TRP 38 Ca -0.14 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.20 1wfn n TRP 38 Cb 0.59 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 31.01 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 -1.85 1.87 0.12 -2.67 -1.52 -1.26 -4.78 119.66 109.58 1wfn s GLN 39 Ca 0.00 -2.12 -0.29 0.00 -1.95 0.00 0.00 55.36 51.00 1wfn s GLN 39 Cb 0.00 -0.03 -0.06 0.00 -0.22 0.00 0.00 33.01 32.69 1wfn s GLN 39 CO 0.00 -0.61 0.93 -1.21 -0.25 0.00 0.00 175.29 174.14 1wfn s GLU 40 N -3.51 4.69 0.49 2.91 2.02 -1.26 -1.38 118.70 122.67 1wfn s GLU 40 Ca 0.33 1.40 -0.20 0.00 0.02 0.00 0.00 54.97 56.52 1wfn s GLU 40 Cb 0.02 -3.36 -0.08 0.00 0.10 0.00 0.00 34.13 30.81 1wfn s GLU 40 CO 0.23 0.28 1.04 -1.25 0.02 0.00 0.00 175.26 175.58 1wfn s PRO 41 N -0.23 3.77 0.00 0.39 0.04 -1.26 -3.78 135.00 133.93 1wfn s PRO 41 Ca 0.45 1.34 0.28 0.00 0.04 0.00 0.00 61.00 63.11 1wfn s PRO 41 Cb -0.23 -2.09 1.26 0.00 0.04 0.00 0.00 34.50 33.48 1wfn s PRO 41 CO 0.29 -0.46 1.92 0.41 0.04 0.00 0.00 177.00 179.20 1wfn n GLY 42 N -0.32 -1.38 2.19 0.56 0.00 -1.26 -3.28 105.19 101.69 1wfn n GLY 42 Ca 0.09 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1wfn n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfn n GLU 43 N -1.43 2.95 -0.48 1.61 -0.58 -1.26 -4.74 120.64 116.71 1wfn n GLU 43 Ca 0.09 -3.56 0.41 0.00 -0.42 0.00 0.00 57.16 53.67 1wfn n GLU 43 Cb 0.29 -2.27 0.69 0.00 -0.57 0.00 0.00 31.44 29.58 1wfn n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1wfn n LYS 44 N -0.87 -0.04 -4.19 3.49 5.02 -1.21 -3.42 118.16 116.95 1wfn n LYS 44 Ca 0.56 1.26 -0.37 0.00 -2.02 0.00 0.00 58.31 57.74 1wfn n LYS 44 Cb 0.81 -2.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.27 1wfn n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wfn n ASN 45 N -4.72 -1.12 0.00 4.39 3.02 -1.26 -4.38 115.26 111.18 1wfn n ASN 45 Ca 0.41 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1wfn n ASN 45 Cb 1.59 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 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 -2.35 0.64 3.23 7.41 0.00 -1.26 -4.73 105.19 108.13 1wfn n GLY 46 Ca -0.23 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.20 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 -0.80 4.44 0.12 -0.61 -1.09 -1.26 -5.04 121.20 116.95 1wfn s ILE 47 Ca 0.00 -1.77 -0.33 0.00 -2.23 0.00 0.00 60.65 56.32 1wfn s ILE 47 Cb 0.00 -3.90 -0.18 0.00 -1.58 0.00 0.00 42.46 36.80 1wfn s ILE 47 CO 0.00 -0.80 0.79 0.18 -1.23 0.00 0.00 174.94 173.88 1wfn n LEU 48 N 4.93 -0.52 -0.00 2.97 4.77 -1.26 -4.14 117.00 123.75 1wfn n LEU 48 Ca -0.08 1.14 0.07 0.00 -0.03 0.00 0.00 56.01 57.11 1wfn n LEU 48 Cb 0.41 -0.96 -0.10 0.00 -2.33 0.00 0.00 43.42 40.44 1wfn n LEU 48 CO 0.45 -2.41 -0.25 0.35 -1.33 0.00 0.00 177.39 174.20 1wfn n THR 49 N 0.72 0.00 -2.57 -5.08 -2.24 0.51 -4.71 114.28 100.91 1wfn n THR 49 Ca 0.19 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1wfn n THR 49 Cb 0.18 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.44 -1.75 2.88 3.38 0.00 -0.40 -3.80 105.19 106.93 1wfn n GLY 50 Ca 0.01 -1.18 -0.17 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 -2.68 0.42 -0.33 1.61 2.02 0.88 0.20 117.35 119.47 1wfn s TYR 51 Ca 0.00 -0.07 -0.12 0.00 -0.37 0.00 0.00 57.07 56.51 1wfn s TYR 51 Cb 0.00 -0.40 -0.02 0.00 -0.40 0.00 0.00 41.96 41.14 1wfn s TYR 51 CO 0.00 -0.10 0.23 0.50 -1.57 0.00 0.00 175.55 174.61 1wfn s ARG 52 N 0.59 3.56 0.05 -0.62 3.52 0.76 -1.11 118.95 125.69 1wfn s ARG 52 Ca -0.06 -0.60 0.03 0.00 -0.13 0.00 0.00 55.73 54.97 1wfn s ARG 52 Cb -0.10 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 1wfn s ARG 52 CO -0.01 -0.40 0.00 -1.50 -0.81 0.00 0.00 175.30 172.59 1wfn s ILE 53 N 1.72 4.11 -0.22 4.11 2.07 -1.06 0.16 121.20 132.09 1wfn s ILE 53 Ca 0.06 -0.80 -0.05 0.00 -1.41 0.00 0.00 60.65 58.46 1wfn s ILE 53 Cb -0.17 -2.90 0.11 0.00 0.13 0.00 0.00 42.46 39.63 1wfn s ILE 53 CO 0.10 0.24 0.41 -0.44 -1.91 0.00 0.00 174.94 173.35 1wfn s SER 54 N -1.97 -0.11 0.03 4.50 0.01 0.17 -1.81 113.70 114.53 1wfn s SER 54 Ca 0.23 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1wfn s SER 54 Cb -0.12 1.30 -0.04 0.00 0.21 0.00 0.00 66.02 67.37 1wfn s SER 54 CO 0.15 -0.26 0.13 -1.66 0.41 0.00 0.00 173.24 172.00 1wfn s TRP 55 N 2.60 3.36 -0.14 2.43 -2.14 -1.25 0.50 118.94 124.30 1wfn s TRP 55 Ca 0.06 0.21 -0.30 0.00 2.66 0.00 0.00 56.10 58.73 1wfn s TRP 55 Cb -0.14 -1.73 0.12 0.00 -3.10 0.00 0.00 33.47 28.62 1wfn s TRP 55 CO -0.15 0.57 0.97 -1.83 -2.66 0.00 0.00 176.95 173.85 1wfn s GLU 56 N -2.10 0.65 0.96 3.25 -1.05 -0.19 -2.22 118.70 118.00 1wfn s GLU 56 Ca 0.28 0.11 -0.12 0.00 -0.15 0.00 0.00 54.97 55.09 1wfn s GLU 56 Cb -0.12 0.30 0.19 0.00 -0.44 0.00 0.00 34.13 34.06 1wfn s GLU 56 CO 0.20 -0.21 0.43 0.39 0.95 0.00 0.00 175.26 177.01 1wfn n GLU 57 N 0.64 -1.47 0.26 -4.83 1.02 -1.24 0.22 120.64 115.24 1wfn n GLU 57 Ca -0.11 -0.72 -0.15 0.00 -0.02 0.00 0.00 57.16 56.17 1wfn n GLU 57 Cb 0.58 -1.41 -0.08 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 -2.80 -1.08 -1.53 -0.32 3.20 -0.83 -3.24 116.97 110.36 1wfn h TYR 58 Ca -0.19 0.00 -0.47 0.00 3.14 0.00 0.00 58.73 61.21 1wfn h TYR 58 Cb 0.65 0.41 -0.41 0.00 1.54 0.00 0.00 36.73 38.93 1wfn h TYR 58 CO 0.00 -0.54 -1.01 0.27 -1.64 0.00 0.00 178.16 175.24 1wfn n ASN 59 N -4.81 2.48 -3.35 -2.11 6.94 -1.26 -4.79 115.26 108.36 1wfn n ASN 59 Ca -0.10 -3.15 -0.24 0.00 -0.02 0.00 0.00 54.58 51.07 1wfn n ASN 59 Cb 0.37 -0.54 -0.09 0.00 -2.36 0.00 0.00 39.78 37.16 1wfn n ASN 59 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1wfn s ARG 60 N -3.11 0.78 0.42 -3.83 0.52 -1.26 -4.97 118.95 107.51 1wfn s ARG 60 Ca 0.38 -1.62 0.11 0.00 -0.52 0.00 0.00 55.73 54.08 1wfn s ARG 60 Cb 0.40 -1.16 0.91 0.00 0.52 0.00 0.00 34.95 35.62 1wfn s ARG 60 CO -0.07 -1.31 1.98 1.15 0.02 0.00 0.00 175.30 177.07 1wfn h THR 61 N 4.82 1.14 -0.41 0.02 2.02 -1.93 -1.56 112.91 117.01 1wfn h THR 61 Ca 0.16 -0.59 0.12 0.00 0.77 0.00 0.00 66.41 66.87 1wfn h THR 61 Cb 0.97 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1wfn h THR 61 CO 0.28 0.18 0.63 -1.13 0.37 0.00 0.00 175.52 175.85 1wfn h ASN 62 N 0.17 0.00 -0.82 4.18 -0.73 -2.00 1.42 115.58 117.80 1wfn h ASN 62 Ca 0.04 0.00 -0.51 0.00 1.87 0.00 0.00 56.30 57.70 1wfn h ASN 62 Cb 0.27 0.00 -0.28 0.00 0.27 0.00 0.00 38.32 38.58 1wfn h ASN 62 CO 0.01 0.00 0.36 0.35 -0.37 0.00 0.00 177.43 177.78 1wfn n THR 63 N -3.33 3.13 -3.96 -3.57 -2.24 -0.59 -4.98 114.28 98.75 1wfn n THR 63 Ca 0.08 -2.82 -0.32 0.00 -2.27 0.00 0.00 64.05 58.72 1wfn n THR 63 Cb 0.79 -0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 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 -3.53 3.31 0.20 -0.78 3.52 0.49 -4.13 118.95 118.02 1wfn s ARG 64 Ca 0.56 -0.46 0.07 0.00 -0.13 0.00 0.00 55.73 55.78 1wfn s ARG 64 Cb 0.47 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.82 1wfn s ARG 64 CO 0.03 0.62 -0.13 0.54 -0.81 0.00 0.00 175.30 175.56 1wfn s VAL 65 N -1.41 1.58 -0.27 7.11 0.11 -0.94 -5.00 120.40 121.58 1wfn s VAL 65 Ca 0.31 -2.17 0.00 0.00 -2.93 0.00 0.00 61.98 57.20 1wfn s VAL 65 Cb -0.13 -2.03 0.08 0.00 -1.53 0.00 0.00 36.38 32.77 1wfn s VAL 65 CO 0.23 -0.61 0.01 -0.89 -3.33 0.00 0.00 175.10 170.52 1wfn s THR 66 N -3.07 1.36 0.28 5.04 2.01 -1.26 -3.95 115.64 116.05 1wfn s THR 66 Ca 0.22 -1.38 0.10 0.00 0.31 0.00 0.00 61.69 60.94 1wfn s THR 66 Cb 0.00 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.65 1wfn s THR 66 CO 0.06 -0.35 -0.05 -1.00 -0.69 0.00 0.00 174.62 172.59 1wfn s HIS 67 N 1.43 2.59 -0.01 4.92 3.76 -0.75 -5.04 115.29 122.19 1wfn s HIS 67 Ca 0.02 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 54.70 1wfn s HIS 67 Cb -0.18 -1.17 -0.01 0.00 1.11 0.00 0.00 32.58 32.33 1wfn s HIS 67 CO -0.12 0.63 -0.10 0.71 -0.85 0.00 0.00 174.74 175.01 1wfn s TYR 68 N -2.38 0.95 0.11 1.40 2.02 -1.26 -2.55 117.35 115.64 1wfn s TYR 68 Ca 0.31 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 1wfn s TYR 68 Cb -0.06 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 1wfn s TYR 68 CO 0.19 -0.03 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.55 1wfn s LEU 69 N -0.20 2.51 1.10 -1.29 1.43 -0.27 -4.99 118.68 116.97 1wfn s LEU 69 Ca 0.03 -0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 51.96 1wfn s LEU 69 Cb -0.05 -0.17 0.26 0.00 0.03 0.00 0.00 46.19 46.26 1wfn s LEU 69 CO -0.00 -0.41 1.23 -2.16 0.23 0.00 0.00 176.35 175.23 1wfn s PRO 70 N -3.72 -0.45 -0.08 1.29 0.04 -1.26 -0.08 135.00 130.74 1wfn s PRO 70 Ca 0.13 -0.31 0.05 0.00 0.04 0.00 0.00 61.00 60.90 1wfn s PRO 70 Cb 0.04 -1.71 0.28 0.00 0.04 0.00 0.00 34.50 33.15 1wfn s PRO 70 CO -0.03 -3.16 0.95 0.27 0.04 0.00 0.00 177.00 175.08 1wfn n ASN 71 N -4.31 2.57 -0.02 6.66 6.94 -1.25 -3.20 115.26 122.64 1wfn n ASN 71 Ca 0.15 -2.30 -0.01 0.00 -0.02 0.00 0.00 54.58 52.40 1wfn n ASN 71 Cb 0.59 -0.54 -0.05 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.22 0.32 -3.79 3.53 0.24 -1.26 -4.95 118.33 112.65 1wfn n VAL 72 Ca 0.10 -0.25 -0.36 0.00 -2.04 0.00 0.00 64.34 61.79 1wfn n VAL 72 Cb 0.56 -0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 32.41 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 -2.27 5.36 0.00 3.34 2.01 -1.19 -4.96 115.64 117.92 1wfn s THR 73 Ca -0.03 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1wfn s THR 73 Cb 0.03 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1wfn s THR 73 CO 0.29 0.47 0.60 0.18 -0.69 0.00 0.00 174.62 175.48 1wfn n LEU 74 N 1.48 0.47 -3.95 4.42 4.77 -1.26 -4.73 117.00 118.20 1wfn n LEU 74 Ca -0.15 -0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 55.27 1wfn n LEU 74 Cb 0.53 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 1wfn n LEU 74 CO 0.37 0.12 -0.30 -1.83 -1.33 0.00 0.00 177.39 174.42 1wfn s GLU 75 N -0.23 0.38 -0.18 3.23 -1.05 -1.26 0.26 118.70 119.84 1wfn s GLU 75 Ca 0.00 -0.57 -0.24 0.00 -0.15 0.00 0.00 54.97 54.01 1wfn s GLU 75 Cb 0.00 0.14 0.06 0.00 -0.44 0.00 0.00 34.13 33.89 1wfn s GLU 75 CO 0.00 -0.07 0.63 -0.47 0.95 0.00 0.00 175.26 176.30 1wfn s TYR 76 N -1.55 -0.66 -0.11 4.83 6.14 0.37 -4.96 117.35 121.40 1wfn s TYR 76 Ca -0.15 1.50 -0.22 0.00 0.64 0.00 0.00 57.07 58.84 1wfn s TYR 76 Cb -0.09 0.27 -0.03 0.00 0.42 0.00 0.00 41.96 42.53 1wfn s TYR 76 CO -0.01 -0.41 0.64 0.50 0.64 0.00 0.00 175.55 176.92 1wfn s ARG 77 N -0.12 4.36 0.09 4.97 3.52 -1.26 0.10 118.95 130.62 1wfn s ARG 77 Ca -0.03 0.74 -0.02 0.00 -0.13 0.00 0.00 55.73 56.28 1wfn s ARG 77 Cb -0.03 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 1wfn s ARG 77 CO 0.03 -0.01 0.28 0.08 -0.81 0.00 0.00 175.30 174.88 1wfn s VAL 78 N 1.09 5.29 -0.03 7.11 1.01 0.42 -4.95 120.40 130.34 1wfn s VAL 78 Ca 0.33 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 1wfn s VAL 78 Cb -0.17 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1wfn s VAL 78 CO 0.14 0.10 0.42 0.42 0.00 0.00 0.00 175.10 176.19 1wfn s THR 79 N -1.57 0.04 0.00 3.92 -4.23 -1.26 -1.69 115.64 110.84 1wfn s THR 79 Ca 0.37 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 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 0.26 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1wfn n GLY 80 N 1.28 1.71 0.00 3.99 0.00 -0.71 -5.00 105.19 106.46 1wfn n GLY 80 Ca -0.20 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.06 0.99 4.77 -1.14 -5.06 117.00 112.49 1wfn n LEU 81 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1wfn n LEU 81 Cb 0.03 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.99 1wfn n LEU 81 CO 0.00 0.00 -0.43 -0.89 -1.33 0.00 0.00 177.39 174.74 1wfn s THR 82 N 1.45 0.76 0.37 -5.08 2.01 -1.21 -4.67 115.64 109.27 1wfn s THR 82 Ca 0.00 -0.75 -0.27 0.00 0.31 0.00 0.00 61.69 60.99 1wfn s THR 82 Cb 0.00 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.72 1wfn s THR 82 CO 0.00 -0.03 1.22 0.00 -0.69 0.00 0.00 174.62 175.12 1wfn s ALA 83 N -0.71 3.27 -1.23 7.40 0.00 0.31 -3.33 121.76 127.48 1wfn s ALA 83 Ca -0.01 1.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.76 1wfn s ALA 83 Cb -0.06 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1wfn s ALA 83 CO 0.00 -0.57 0.65 1.28 0.00 0.00 0.00 175.76 177.12 1wfn n LEU 84 N 0.36 -1.16 -3.88 0.00 4.77 -1.26 -4.96 117.00 110.88 1wfn n LEU 84 Ca 0.03 -1.20 -0.12 0.00 -0.03 0.00 0.00 56.01 54.69 1wfn n LEU 84 Cb 0.45 -1.88 -0.13 0.00 -2.33 0.00 0.00 43.42 39.53 1wfn n LEU 84 CO 0.54 0.67 -0.32 -0.89 -1.33 0.00 0.00 177.39 176.06 1wfn s THR 85 N -3.60 0.02 0.05 -5.08 2.01 -1.21 -4.92 115.64 102.92 1wfn s THR 85 Ca 0.43 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 1wfn s THR 85 Cb -0.21 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1wfn s THR 85 CO 0.94 -0.11 1.01 -0.89 -0.69 0.00 0.00 174.62 174.88 1wfn s THR 86 N -0.31 4.59 0.10 -0.82 2.01 -1.26 0.14 115.64 120.09 1wfn s THR 86 Ca -0.04 1.97 0.01 0.00 0.31 0.00 0.00 61.69 63.95 1wfn s THR 86 Cb -0.02 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1wfn s THR 86 CO -0.00 0.21 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.78 1wfn s TYR 87 N 0.61 0.86 -0.10 4.92 2.02 0.35 -0.16 117.35 125.85 1wfn s TYR 87 Ca 0.51 -0.95 -0.01 0.00 -0.37 0.00 0.00 57.07 56.25 1wfn s TYR 87 Cb -0.23 -0.51 0.03 0.00 -0.40 0.00 0.00 41.96 40.84 1wfn s TYR 87 CO 0.29 -0.19 -0.06 0.99 -1.57 0.00 0.00 175.55 175.01 1wfn s THR 88 N -3.67 0.88 -0.24 -0.71 2.01 0.58 0.20 115.64 114.68 1wfn s THR 88 Ca 0.12 -0.20 -0.08 0.00 0.31 0.00 0.00 61.69 61.84 1wfn s THR 88 Cb 0.06 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1wfn s THR 88 CO -0.05 0.34 0.08 -0.63 -0.69 0.00 0.00 174.62 173.68 1wfn s ILE 89 N 1.73 4.49 -0.23 1.82 -1.09 -0.84 -1.02 121.20 126.05 1wfn s ILE 89 Ca 0.04 -0.11 -0.06 0.00 -2.23 0.00 0.00 60.65 58.28 1wfn s ILE 89 Cb -0.13 -3.10 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 1wfn s ILE 89 CO -0.07 0.34 0.04 -1.61 -1.23 0.00 0.00 174.94 172.41 1wfn s GLU 90 N 1.47 3.63 -0.24 2.79 2.02 0.18 -1.65 118.70 126.90 1wfn s GLU 90 Ca 0.06 -0.50 -0.02 0.00 0.02 0.00 0.00 54.97 54.53 1wfn s GLU 90 Cb -0.15 -3.23 0.02 0.00 0.10 0.00 0.00 34.13 30.87 1wfn s GLU 90 CO 0.04 -0.12 -0.06 0.08 0.02 0.00 0.00 175.26 175.22 1wfn s VAL 91 N 1.41 2.96 0.38 2.63 1.01 0.57 0.46 120.40 129.83 1wfn s VAL 91 Ca 0.05 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1wfn s VAL 91 Cb -0.15 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1wfn s VAL 91 CO 0.02 0.25 0.15 0.00 0.00 0.00 0.00 175.10 175.52 1wfn s ALA 92 N 1.36 3.51 0.01 5.51 0.00 0.41 -0.37 121.76 132.18 1wfn s ALA 92 Ca 0.02 -1.99 0.07 0.00 0.00 0.00 0.00 51.96 50.05 1wfn s ALA 92 Cb -0.16 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1wfn s ALA 92 CO -0.04 -0.07 -0.21 0.00 0.00 0.00 0.00 175.76 175.44 1wfn s ALA 93 N -2.53 2.43 -0.07 0.00 0.00 -1.25 -0.17 121.76 120.17 1wfn s ALA 93 Ca 0.39 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1wfn s ALA 93 Cb 0.01 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1wfn s ALA 93 CO 0.22 0.55 -0.19 -1.64 0.00 0.00 0.00 175.76 174.70 1wfn s MET 94 N -1.07 2.68 0.00 0.00 -1.94 0.52 -1.28 119.30 118.21 1wfn s MET 94 Ca 0.12 -0.79 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 1wfn s MET 94 Cb -0.10 -2.32 0.00 0.00 2.01 0.00 0.00 34.83 34.41 1wfn s MET 94 CO 0.02 0.44 0.00 0.25 -0.01 0.00 0.00 175.02 175.72 1wfn n THR 95 N 2.82 0.00 1.59 2.05 -2.24 0.29 0.19 114.28 118.98 1wfn n THR 95 Ca -0.17 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 1wfn n THR 95 Cb 0.52 -0.02 0.76 0.00 -2.10 0.00 0.00 70.33 69.49 1wfn n THR 95 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wfn n SER 96 N -0.87 0.00 -0.06 3.42 2.88 -1.26 -3.03 113.62 114.69 1wfn n SER 96 Ca 0.00 -0.77 -0.09 0.00 -1.33 0.00 0.00 58.87 56.67 1wfn n SER 96 Cb 0.00 -0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.39 1wfn n SER 96 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1wfn n LYS 97 N -1.01 0.31 -2.15 -1.46 3.00 -1.26 -5.13 118.16 110.46 1wfn n LYS 97 Ca 0.19 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1wfn n LYS 97 Cb 0.09 -1.23 0.00 0.00 0.00 0.00 0.00 35.03 33.89 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 2.84 -0.51 3.89 3.14 0.00 -1.17 -5.05 105.19 108.34 1wfn n GLY 98 Ca -0.23 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.77 3.48 0.00 1.61 0.74 -1.26 0.10 119.66 122.56 1wfn s GLN 99 Ca 0.00 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.19 1wfn s GLN 99 Cb 0.00 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 31.00 1wfn s GLN 99 CO 0.00 0.68 0.00 0.41 -0.55 0.00 0.00 175.29 175.83 1wfn n GLY 100 N 1.17 3.98 3.12 2.59 0.00 -0.40 -4.79 105.19 110.85 1wfn n GLY 100 Ca -0.12 -1.94 -0.36 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 -0.67 -3.84 1.61 7.27 -0.85 -4.58 117.38 116.32 1wfn n GLN 101 Ca 0.00 -0.19 -0.13 0.00 0.07 0.00 0.00 57.00 56.75 1wfn n GLN 101 Cb 0.00 -1.30 -0.14 0.00 2.41 0.00 0.00 30.24 31.21 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 -2.10 -0.02 -0.46 1.69 0.11 -1.26 -3.79 120.40 114.56 1wfn s VAL 102 Ca 0.45 0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 59.40 1wfn s VAL 102 Cb 0.00 -0.04 0.06 0.00 -1.53 0.00 0.00 36.38 34.88 1wfn s VAL 102 CO 0.67 0.02 0.39 -0.44 -3.33 0.00 0.00 175.10 172.41 1wfn s SER 103 N 0.28 6.15 -0.26 3.54 0.01 0.50 -4.85 113.70 119.07 1wfn s SER 103 Ca -0.02 -1.24 -0.07 0.00 1.31 0.00 0.00 55.95 55.93 1wfn s SER 103 Cb -0.03 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 1wfn s SER 103 CO -0.01 -0.63 0.05 0.00 0.41 0.00 0.00 173.24 173.07 1wfn s ALA 104 N 1.70 3.07 -0.06 1.44 0.00 -1.25 -0.31 121.76 126.33 1wfn s ALA 104 Ca 0.05 -1.23 0.06 0.00 0.00 0.00 0.00 51.96 50.83 1wfn s ALA 104 Cb -0.23 -2.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 1wfn s ALA 104 CO 0.07 -0.61 -0.24 -1.12 0.00 0.00 0.00 175.76 173.87 1wfn s SER 105 N 1.56 2.99 0.10 0.00 0.01 -0.66 -4.92 113.70 112.78 1wfn s SER 105 Ca 0.05 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 1wfn s SER 105 Cb -0.16 -0.93 -0.06 0.00 0.21 0.00 0.00 66.02 65.09 1wfn s SER 105 CO 0.02 0.22 1.06 -0.89 0.41 0.00 0.00 173.24 174.06 1wfn s THR 106 N -0.04 4.28 -0.11 1.44 2.01 -1.26 -1.99 115.64 119.97 1wfn s THR 106 Ca -0.07 1.80 -0.06 0.00 0.31 0.00 0.00 61.69 63.68 1wfn s THR 106 Cb -0.14 -4.15 0.05 0.00 0.01 0.00 0.00 72.50 68.26 1wfn s THR 106 CO 0.05 0.23 0.25 -0.51 -0.69 0.00 0.00 174.62 173.95 1wfn s ILE 107 N 0.33 -0.04 -0.26 1.82 1.10 0.52 -4.96 121.20 119.71 1wfn s ILE 107 Ca 0.51 0.14 -0.10 0.00 -0.51 0.00 0.00 60.65 60.68 1wfn s ILE 107 Cb -0.26 -0.39 -0.05 0.00 0.15 0.00 0.00 42.46 41.92 1wfn s ILE 107 CO 0.31 0.06 0.16 -0.55 -2.11 0.00 0.00 174.94 172.80 1wfn s SER 108 N 1.18 5.88 0.31 4.50 0.15 -1.26 0.13 113.70 124.60 1wfn s SER 108 Ca -0.09 -0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.39 1wfn s SER 108 Cb -0.10 -2.08 -0.12 0.00 -1.71 0.00 0.00 66.02 62.02 1wfn s SER 108 CO -0.08 -0.01 0.06 -1.54 1.20 0.00 0.00 173.24 172.87 1wfn n SER 109 N 4.80 -2.20 0.00 5.45 3.41 0.12 -4.81 113.62 120.38 1wfn n SER 109 Ca -0.15 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1wfn n SER 109 Cb 0.52 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 1.78 -1.76 3.62 5.00 0.00 0.56 -4.06 105.19 110.33 1wfn n GLY 110 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.82 -4.28 120.40 116.99 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 -0.11 4.37 0.38 1.54 0.04 -1.26 -3.79 135.00 136.16 1wfn s PRO 112 Ca 0.01 1.71 0.20 0.00 0.04 0.00 0.00 61.00 62.96 1wfn s PRO 112 Cb -0.04 -3.51 0.56 0.00 0.04 0.00 0.00 34.50 31.55 1wfn s PRO 112 CO -0.04 -0.40 1.67 -1.00 0.04 0.00 0.00 177.00 177.27 1wfn h PRO 113 N 7.32 0.00 -6.40 0.56 0.13 -2.00 -3.48 132.00 128.13 1wfn h PRO 113 Ca -0.36 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.37 1wfn h PRO 113 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1wfn h PRO 113 CO 0.86 0.33 -1.13 0.43 -0.23 0.00 0.00 178.00 178.26 1wfn n SER 114 N -3.34 -4.95 0.00 1.44 7.64 -1.26 -4.66 113.62 108.50 1wfn n SER 114 Ca 0.01 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.52 1wfn n SER 114 Cb 0.55 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1wfn n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfn n GLY 115 N -0.55 -1.74 3.70 0.23 0.00 -1.26 -4.59 105.19 100.98 1wfn n GLY 115 Ca -0.15 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.61 4.41 0.00 1.61 0.04 -1.26 -4.16 135.00 133.02 1wfn s PRO 116 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1wfn s PRO 116 Cb 0.00 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1wfn s PRO 116 CO 0.00 -0.32 0.00 0.45 0.04 0.00 0.00 177.00 177.17 1wfn n SER 117 N 4.43 0.00 0.09 6.66 2.88 -1.26 -3.45 113.62 122.96 1wfn n SER 117 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1wfn n SER 117 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1wfn n SER 117 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wfn n SER 118 N 2.24 -1.53 0.00 -3.46 3.41 -1.26 -5.06 113.62 107.96 1wfn n SER 118 Ca 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1wfn n SER 118 Cb 0.00 1.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.63 1wfn n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49