#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 5.07 0.37 1.61 0.15 -1.26 -4.08 113.70 115.56 1wfn s SER 2 Ca 0.00 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1wfn s SER 2 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1wfn s SER 2 CO 0.00 -2.77 0.00 -0.24 1.20 0.00 0.00 173.24 171.43 1wfn n SER 3 N 14.14 -2.62 0.00 5.45 2.88 -1.26 -5.15 113.62 127.06 1wfn n SER 3 Ca 0.37 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1wfn n SER 3 Cb 0.48 2.54 0.00 0.00 -0.75 0.00 0.00 64.21 66.47 1wfn n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfn n GLY 4 N -0.49 0.89 1.11 0.46 0.00 -1.26 -5.14 105.19 100.77 1wfn n GLY 4 Ca 0.00 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.60 1wfn n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfn n SER 5 N 0.00 -6.18 -3.91 1.61 7.64 -1.26 -5.00 113.62 106.53 1wfn n SER 5 Ca 0.00 1.07 -0.09 0.00 1.01 0.00 0.00 58.87 60.86 1wfn n SER 5 Cb 0.00 -3.79 -0.07 0.00 -1.01 0.00 0.00 64.21 59.33 1wfn n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfn s SER 6 N -6.56 0.10 0.19 6.43 0.15 -1.26 -5.18 113.70 107.56 1wfn s SER 6 Ca 0.00 -0.76 -0.23 0.00 0.70 0.00 0.00 55.95 55.66 1wfn s SER 6 Cb 0.00 0.37 0.05 0.00 -1.71 0.00 0.00 66.02 64.74 1wfn s SER 6 CO 0.00 -0.79 0.76 -0.83 1.20 0.00 0.00 173.24 173.58 1wfn s GLY 7 N -2.91 -0.31 0.64 9.45 0.00 -1.26 -5.17 107.32 107.77 1wfn s GLY 7 Ca 0.10 0.16 -0.13 0.00 0.00 0.00 0.00 44.72 44.85 1wfn s GLY 7 CO -0.06 0.05 1.05 2.56 0.00 0.00 0.00 173.10 176.70 1wfn s PRO 8 N -3.64 3.15 -0.01 2.90 0.04 -1.26 -4.98 135.00 131.20 1wfn s PRO 8 Ca 0.08 1.06 0.12 0.00 0.04 0.00 0.00 61.00 62.30 1wfn s PRO 8 Cb -0.03 -2.02 -0.16 0.00 0.04 0.00 0.00 34.50 32.33 1wfn s PRO 8 CO -0.01 -0.93 0.36 0.00 0.04 0.00 0.00 177.00 176.45 1wfn n GLN 9 N -2.58 1.52 -1.01 4.56 0.00 -1.26 -5.11 117.38 113.50 1wfn n GLN 9 Ca 0.08 -0.06 0.14 0.00 0.00 0.00 0.00 57.00 57.15 1wfn n GLN 9 Cb 0.53 -1.19 -0.03 0.00 0.00 0.00 0.00 30.24 29.55 1wfn n GLN 9 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1wfn n LEU 10 N -1.65 0.00 -4.62 2.61 7.94 -1.26 -4.87 117.00 115.15 1wfn n LEU 10 Ca -0.00 1.09 -0.25 0.00 -1.11 0.00 0.00 56.01 55.73 1wfn n LEU 10 Cb 0.26 -3.12 -0.08 0.00 0.53 0.00 0.00 43.42 41.00 1wfn n LEU 10 CO 0.25 -2.22 -0.36 0.54 -1.11 0.00 0.00 177.39 174.49 1wfn s VAL 11 N -1.68 3.41 0.00 1.96 0.11 -1.26 -5.08 120.40 117.86 1wfn s VAL 11 Ca 0.00 -1.68 0.00 0.00 -2.93 0.00 0.00 61.98 57.37 1wfn s VAL 11 Cb 0.00 -2.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.11 1wfn s VAL 11 CO 0.00 -0.19 0.00 -1.14 -3.33 0.00 0.00 175.10 170.44 1wfn n ARG 12 N -0.30 0.00 -1.17 1.54 3.00 -1.26 -5.08 116.66 113.39 1wfn n ARG 12 Ca -0.09 0.30 0.13 0.00 -0.00 0.00 0.00 57.85 58.19 1wfn n ARG 12 Cb 0.56 -0.80 -0.05 0.00 0.00 0.00 0.00 32.46 32.17 1wfn n ARG 12 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1wfn n THR 13 N -2.18 -0.22 -1.55 5.15 5.66 -1.26 -4.65 114.28 115.23 1wfn n THR 13 Ca 0.00 0.45 -0.49 0.00 -3.05 0.00 0.00 64.05 60.97 1wfn n THR 13 Cb 0.00 -0.79 -0.04 0.00 -1.55 0.00 0.00 70.33 67.95 1wfn n THR 13 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1wfn n HIS 14 N -3.72 0.99 -4.37 1.09 8.25 -1.26 -4.97 115.22 111.23 1wfn n HIS 14 Ca -0.04 0.75 -0.20 0.00 -0.26 0.00 0.00 57.72 57.98 1wfn n HIS 14 Cb 0.58 -2.21 -0.15 0.00 1.12 0.00 0.00 29.99 29.33 1wfn n HIS 14 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1wfn s GLU 15 N -0.66 0.85 -0.08 -0.41 2.12 -1.26 -5.06 118.70 114.20 1wfn s GLU 15 Ca 0.70 -0.31 -0.04 0.00 0.36 0.00 0.00 54.97 55.69 1wfn s GLU 15 Cb -0.87 -0.81 -0.01 0.00 0.26 0.00 0.00 34.13 32.70 1wfn s GLU 15 CO 0.55 0.14 -0.07 0.22 -0.54 0.00 0.00 175.26 175.56 1wfn h ASP 16 N 6.20 0.00 -1.86 -1.70 1.82 -1.97 -3.48 116.42 115.43 1wfn h ASP 16 Ca -0.32 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 55.81 1wfn h ASP 16 Cb 1.17 0.00 0.24 0.00 0.68 0.00 0.00 39.33 41.43 1wfn h ASP 16 CO 0.49 0.40 -1.92 1.33 -1.61 0.00 0.00 179.24 177.93 1wfn n VAL 17 N -3.65 0.00 -1.46 2.25 0.24 -1.26 -4.72 118.33 109.73 1wfn n VAL 17 Ca -0.03 -0.25 -0.28 0.00 -2.04 0.00 0.00 64.34 61.74 1wfn n VAL 17 Cb 0.10 -0.16 0.22 0.00 -1.47 0.00 0.00 33.84 32.53 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 1.32 -2.13 0.00 7.34 -0.04 -1.25 -4.85 135.00 135.39 1wfn n PRO 18 Ca -0.01 -1.82 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 1wfn n PRO 18 Cb 0.64 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 -3.85 2.59 3.72 0.55 0.00 -1.24 -2.01 105.19 104.96 1wfn n GLY 19 Ca 0.15 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 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 3.48 4.49 0.36 1.61 0.04 -1.26 -3.62 135.00 140.10 1wfn s PRO 20 Ca 0.00 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 1wfn s PRO 20 Cb 0.00 -3.33 0.08 0.00 0.04 0.00 0.00 34.50 31.29 1wfn s PRO 20 CO 0.00 -0.14 0.19 1.33 0.04 0.00 0.00 177.00 178.42 1wfn n VAL 21 N 3.41 0.00 0.00 -0.36 0.24 -1.26 -4.39 118.33 115.97 1wfn n VAL 21 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1wfn n VAL 21 Cb 0.47 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 -1.06 -2.41 3.39 7.63 0.00 -0.62 -4.72 105.19 107.41 1wfn n GLY 22 Ca 0.03 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 3.25 0.72 1.61 0.09 -1.26 -4.70 115.29 115.00 1wfn s HIS 23 Ca 0.00 -0.90 -0.16 0.00 -0.00 0.00 0.00 55.06 54.00 1wfn s HIS 23 Cb 0.00 -2.57 -0.01 0.00 -0.00 0.00 0.00 32.58 30.00 1wfn s HIS 23 CO 0.00 -0.66 0.80 1.28 -0.00 0.00 0.00 174.74 176.16 1wfn n LEU 24 N 5.05 2.47 -3.96 0.89 4.32 -1.26 -4.43 117.00 120.07 1wfn n LEU 24 Ca -0.11 0.63 -0.09 0.00 -0.02 0.00 0.00 56.01 56.43 1wfn n LEU 24 Cb 0.46 -1.33 -0.09 0.00 -1.62 0.00 0.00 43.42 40.83 1wfn n LEU 24 CO 0.39 -2.46 -0.24 -0.55 -1.22 0.00 0.00 177.39 173.31 1wfn s SER 25 N -1.59 0.26 -0.03 -1.43 0.15 0.25 -4.91 113.70 106.41 1wfn s SER 25 Ca 0.70 -0.69 -0.01 0.00 0.70 0.00 0.00 55.95 56.65 1wfn s SER 25 Cb -0.35 0.24 0.03 0.00 -1.71 0.00 0.00 66.02 64.23 1wfn s SER 25 CO 0.53 -0.57 0.05 -0.36 1.20 0.00 0.00 173.24 174.09 1wfn s PHE 26 N -3.20 0.05 0.31 3.44 0.08 -1.26 -0.79 117.98 116.61 1wfn s PHE 26 Ca 0.00 0.20 0.04 0.00 0.12 0.00 0.00 56.93 57.29 1wfn s PHE 26 Cb 0.02 -0.37 -0.03 0.00 -0.57 0.00 0.00 43.02 42.07 1wfn s PHE 26 CO -0.07 -0.14 0.18 -1.12 -0.10 0.00 0.00 175.22 173.96 1wfn s SER 27 N 1.66 1.61 -1.50 1.36 0.01 -0.76 -4.87 113.70 111.20 1wfn s SER 27 Ca -0.02 -1.60 -0.00 0.00 1.31 0.00 0.00 55.95 55.64 1wfn s SER 27 Cb -0.12 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1wfn s SER 27 CO -0.03 -0.92 0.14 -0.62 0.41 0.00 0.00 173.24 172.22 1wfn n GLU 28 N -0.60 -1.71 -3.00 12.44 -0.58 -1.26 -0.53 120.64 125.39 1wfn n GLU 28 Ca 0.02 0.19 -0.40 0.00 -0.42 0.00 0.00 57.16 56.55 1wfn n GLU 28 Cb 0.64 -3.90 -0.05 0.00 -0.57 0.00 0.00 31.44 27.57 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 -4.24 4.83 0.00 -3.67 1.01 -1.26 -3.93 121.20 113.94 1wfn s ILE 29 Ca 0.01 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.23 1wfn s ILE 29 Cb -0.00 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1wfn s ILE 29 CO 0.96 0.33 0.00 0.18 0.00 0.00 0.00 174.94 176.41 1wfn n LEU 30 N 3.10 0.00 -0.04 2.97 7.99 0.29 -4.49 117.00 126.83 1wfn n LEU 30 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.95 1wfn n LEU 30 Cb 0.51 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.74 1wfn n LEU 30 CO 0.47 0.00 -0.78 -0.90 -1.51 0.00 0.00 177.39 174.67 1wfn n ASP 31 N 0.00 2.52 -0.59 -1.43 5.75 -1.25 0.18 116.55 121.72 1wfn n ASP 31 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1wfn n ASP 31 Cb 0.00 0.92 -0.00 0.00 -1.03 0.00 0.00 41.12 41.00 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 -2.26 0.00 -3.72 2.12 -2.24 -1.26 0.77 114.28 107.69 1wfn n THR 32 Ca -0.13 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 1wfn n THR 32 Cb 0.71 0.35 -0.12 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.71 -0.38 -0.07 3.42 1.04 -1.26 -1.27 113.70 114.47 1wfn s SER 33 Ca 0.02 0.69 -0.21 0.00 0.48 0.00 0.00 55.95 56.93 1wfn s SER 33 Cb 0.03 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.78 1wfn s SER 33 CO -0.01 -0.17 0.49 -1.48 0.98 0.00 0.00 173.24 173.04 1wfn s LEU 34 N 1.21 0.13 -0.01 2.42 0.05 -0.66 0.11 118.68 121.92 1wfn s LEU 34 Ca -0.08 0.55 -0.17 0.00 0.05 0.00 0.00 54.13 54.48 1wfn s LEU 34 Cb -0.09 1.83 -0.05 0.00 -2.05 0.00 0.00 46.19 45.82 1wfn s LEU 34 CO -0.09 -0.43 0.48 -0.75 -0.55 0.00 0.00 176.35 175.00 1wfn s LYS 35 N -0.85 4.13 -0.04 1.48 2.36 0.31 0.14 119.74 127.26 1wfn s LYS 35 Ca -0.09 0.52 0.02 0.00 -2.55 0.00 0.00 55.97 53.87 1wfn s LYS 35 Cb -0.03 -3.29 -0.03 0.00 -1.05 0.00 0.00 37.83 33.43 1wfn s LYS 35 CO 0.05 0.51 -0.07 0.08 1.55 0.00 0.00 175.35 177.48 1wfn s VAL 36 N -0.56 3.70 0.05 4.02 1.01 0.52 -1.82 120.40 127.31 1wfn s VAL 36 Ca 0.26 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1wfn s VAL 36 Cb -0.17 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1wfn s VAL 36 CO 0.14 0.53 0.02 -0.55 0.00 0.00 0.00 175.10 175.24 1wfn s SER 37 N -1.02 0.33 0.35 3.32 0.15 0.03 0.78 113.70 117.63 1wfn s SER 37 Ca 0.14 -0.76 -0.17 0.00 0.70 0.00 0.00 55.95 55.86 1wfn s SER 37 Cb -0.11 0.20 0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1wfn s SER 37 CO 0.04 -0.54 0.82 -1.66 1.20 0.00 0.00 173.24 173.09 1wfn s TRP 38 N -3.15 0.08 0.45 3.44 -2.14 0.16 0.88 118.94 118.67 1wfn s TRP 38 Ca -0.00 -0.70 0.01 0.00 2.66 0.00 0.00 56.10 58.06 1wfn s TRP 38 Cb 0.02 0.81 -0.00 0.00 -3.10 0.00 0.00 33.47 31.20 1wfn s TRP 38 CO -0.07 -1.46 0.04 1.04 -2.66 0.00 0.00 176.95 173.84 1wfn n GLN 39 N -0.54 0.77 -2.66 3.25 6.02 -1.26 -4.73 117.38 118.22 1wfn n GLN 39 Ca -0.07 -3.43 -0.40 0.00 -0.01 0.00 0.00 57.00 53.09 1wfn n GLN 39 Cb 0.60 1.19 -0.05 0.00 1.02 0.00 0.00 30.24 32.99 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 -3.65 4.76 0.48 -1.09 2.02 -1.26 -1.58 118.70 118.38 1wfn s GLU 40 Ca 0.06 1.58 -0.20 0.00 0.02 0.00 0.00 54.97 56.42 1wfn s GLU 40 Cb 0.00 -3.21 -0.09 0.00 0.10 0.00 0.00 34.13 30.94 1wfn s GLU 40 CO 0.04 0.40 1.04 -1.25 0.02 0.00 0.00 175.26 175.51 1wfn s PRO 41 N -1.33 3.81 0.21 0.39 0.04 -1.26 -3.71 135.00 133.14 1wfn s PRO 41 Ca 0.43 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.85 1wfn s PRO 41 Cb -0.27 -2.10 0.17 0.00 0.04 0.00 0.00 34.50 32.34 1wfn s PRO 41 CO 0.34 -0.42 1.52 0.78 0.04 0.00 0.00 177.00 179.25 1wfn h GLY 42 N 1.57 0.35 -3.78 0.56 0.00 -1.90 -3.16 103.07 96.72 1wfn h GLY 42 Ca -0.49 -0.45 -0.29 0.00 0.00 0.00 0.00 47.33 46.09 1wfn h GLY 42 CO 0.59 0.41 0.18 1.18 0.00 0.00 0.00 176.54 178.90 1wfn n GLU 43 N -3.87 1.86 -0.39 4.80 -0.58 -1.26 -4.61 120.64 116.58 1wfn n GLU 43 Ca -0.03 -1.39 0.35 0.00 -0.42 0.00 0.00 57.16 55.68 1wfn n GLU 43 Cb 0.64 -1.72 0.62 0.00 -0.57 0.00 0.00 31.44 30.41 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 1.10 -0.04 -2.11 3.49 5.02 -1.20 -3.59 118.16 120.83 1wfn n LYS 44 Ca 0.32 1.26 -0.04 0.00 -2.02 0.00 0.00 58.31 57.84 1wfn n LYS 44 Cb 0.62 -2.39 -0.01 0.00 -0.02 0.00 0.00 35.03 33.23 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 -4.88 -1.70 0.00 4.39 3.02 -1.26 -4.37 115.26 110.47 1wfn n ASN 45 Ca 0.38 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 55.25 1wfn n ASN 45 Cb 1.40 -1.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 -0.46 0.78 3.13 7.41 0.00 -1.26 -4.89 105.19 109.91 1wfn n GLY 46 Ca -0.05 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.54 3.44 0.18 -0.61 1.09 -1.26 -5.06 121.20 115.43 1wfn s ILE 47 Ca 0.00 -2.12 -0.29 0.00 -1.10 0.00 0.00 60.65 57.14 1wfn s ILE 47 Cb 0.00 -3.34 -0.17 0.00 -1.06 0.00 0.00 42.46 37.89 1wfn s ILE 47 CO 0.00 -0.72 0.57 0.18 -0.10 0.00 0.00 174.94 174.87 1wfn n LEU 48 N 4.51 -1.13 -0.70 2.97 7.99 -1.26 -4.58 117.00 124.81 1wfn n LEU 48 Ca -0.02 1.13 0.07 0.00 -0.01 0.00 0.00 56.01 57.18 1wfn n LEU 48 Cb 0.41 -0.94 0.12 0.00 -0.11 0.00 0.00 43.42 42.90 1wfn n LEU 48 CO 0.34 -2.87 0.56 0.35 -1.51 0.00 0.00 177.39 174.26 1wfn n THR 49 N 0.14 0.43 0.00 -5.08 -2.24 1.12 -4.56 114.28 104.09 1wfn n THR 49 Ca 0.18 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1wfn n THR 49 Cb 0.23 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 0.84 -0.45 2.77 3.38 0.00 -1.00 -3.95 105.19 106.78 1wfn n GLY 50 Ca 0.12 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.72 1wfn n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wfn s TYR 51 N -2.00 0.17 -0.22 1.61 2.02 0.10 0.87 117.35 119.90 1wfn s TYR 51 Ca 0.00 0.08 -0.14 0.00 -0.37 0.00 0.00 57.07 56.64 1wfn s TYR 51 Cb 0.00 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 41.15 1wfn s TYR 51 CO 0.00 -0.13 0.34 0.50 -1.57 0.00 0.00 175.55 174.69 1wfn s ARG 52 N 1.25 4.12 0.10 -0.62 3.52 0.28 -1.37 118.95 126.23 1wfn s ARG 52 Ca -0.07 0.06 0.10 0.00 -0.13 0.00 0.00 55.73 55.69 1wfn s ARG 52 Cb -0.13 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 1wfn s ARG 52 CO -0.03 -0.07 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.66 1wfn s ILE 53 N 1.42 2.46 -0.23 4.11 2.07 -1.16 0.16 121.20 130.02 1wfn s ILE 53 Ca 0.16 -1.55 -0.04 0.00 -1.41 0.00 0.00 60.65 57.80 1wfn s ILE 53 Cb -0.15 -2.07 0.12 0.00 0.13 0.00 0.00 42.46 40.49 1wfn s ILE 53 CO 0.08 0.18 0.41 -0.44 -1.91 0.00 0.00 174.94 173.25 1wfn s SER 54 N -1.85 -0.07 -0.00 4.50 0.01 0.14 -2.24 113.70 114.19 1wfn s SER 54 Ca 0.15 0.60 -0.01 0.00 1.31 0.00 0.00 55.95 58.00 1wfn s SER 54 Cb -0.10 1.28 -0.04 0.00 0.21 0.00 0.00 66.02 67.37 1wfn s SER 54 CO 0.06 -0.27 0.11 -1.66 0.41 0.00 0.00 173.24 171.90 1wfn s TRP 55 N 2.59 3.36 0.28 2.43 -2.14 -1.26 0.11 118.94 124.32 1wfn s TRP 55 Ca 0.07 0.25 -0.19 0.00 2.66 0.00 0.00 56.10 58.89 1wfn s TRP 55 Cb -0.14 -1.76 0.07 0.00 -3.10 0.00 0.00 33.47 28.54 1wfn s TRP 55 CO -0.15 0.58 0.93 -0.85 -2.66 0.00 0.00 176.95 174.81 1wfn n GLU 56 N 1.08 0.87 -1.66 3.25 0.28 -0.67 -2.19 120.64 121.60 1wfn n GLU 56 Ca -0.12 -1.82 -0.29 0.00 -0.16 0.00 0.00 57.16 54.76 1wfn n GLU 56 Cb 0.53 2.37 0.17 0.00 1.43 0.00 0.00 31.44 35.93 1wfn n GLU 56 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1wfn s GLU 57 N -2.07 0.64 0.08 3.44 0.41 -1.20 0.86 118.70 120.87 1wfn s GLU 57 Ca 0.20 -0.08 -0.31 0.00 -0.41 0.00 0.00 54.97 54.37 1wfn s GLU 57 Cb -0.04 -1.81 -0.14 0.00 -1.78 0.00 0.00 34.13 30.36 1wfn s GLU 57 CO 0.08 -2.47 1.49 -0.92 -0.49 0.00 0.00 175.26 172.95 1wfn h TYR 58 N -1.69 -1.30 -2.01 1.61 3.20 0.31 -3.32 116.97 113.76 1wfn h TYR 58 Ca -0.46 0.02 -0.52 0.00 3.14 0.00 0.00 58.73 60.91 1wfn h TYR 58 Cb 1.29 0.53 -0.41 0.00 1.54 0.00 0.00 36.73 39.68 1wfn h TYR 58 CO -0.71 -0.56 -0.98 0.27 -1.64 0.00 0.00 178.16 174.54 1wfn n ASN 59 N -5.12 2.36 -3.24 -2.11 0.23 -1.26 -4.83 115.26 101.28 1wfn n ASN 59 Ca -0.09 -3.26 -0.04 0.00 -0.53 0.00 0.00 54.58 50.66 1wfn n ASN 59 Cb 0.38 -0.58 -0.03 0.00 -2.08 0.00 0.00 39.78 37.47 1wfn n ASN 59 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1wfn s ARG 60 N -2.90 0.56 0.08 -3.83 0.52 -1.25 -4.99 118.95 107.14 1wfn s ARG 60 Ca 0.43 0.10 0.23 0.00 -0.52 0.00 0.00 55.73 55.97 1wfn s ARG 60 Cb 0.34 -0.09 0.93 0.00 0.52 0.00 0.00 34.95 36.64 1wfn s ARG 60 CO -0.10 -1.08 1.72 2.41 0.02 0.00 0.00 175.30 178.27 1wfn n THR 61 N 5.10 0.55 0.26 0.02 -1.04 -1.26 -2.70 114.28 115.21 1wfn n THR 61 Ca 0.05 0.06 0.15 0.00 -2.04 0.00 0.00 64.05 62.27 1wfn n THR 61 Cb 0.52 -0.78 0.76 0.00 -1.82 0.00 0.00 70.33 69.01 1wfn n THR 61 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1wfn h ASN 62 N 0.00 0.00 -0.57 8.00 -0.73 -1.98 -0.55 115.58 119.75 1wfn h ASN 62 Ca 0.00 0.00 -0.39 0.00 1.87 0.00 0.00 56.30 57.78 1wfn h ASN 62 Cb 0.44 0.00 -0.26 0.00 0.27 0.00 0.00 38.32 38.77 1wfn h ASN 62 CO 0.00 0.00 -0.35 0.35 -0.37 0.00 0.00 177.43 177.06 1wfn n THR 63 N -2.56 2.64 -3.94 -3.57 -2.24 -1.10 -5.02 114.28 98.49 1wfn n THR 63 Ca -0.01 -3.52 -0.33 0.00 -2.27 0.00 0.00 64.05 57.92 1wfn n THR 63 Cb 0.10 -0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 67.49 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 -3.49 3.35 0.20 -0.78 3.52 -0.21 -3.92 118.95 117.62 1wfn s ARG 64 Ca 0.49 -0.39 0.07 0.00 -0.13 0.00 0.00 55.73 55.78 1wfn s ARG 64 Cb 0.42 -3.03 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 1wfn s ARG 64 CO 0.01 0.65 -0.13 0.54 -0.81 0.00 0.00 175.30 175.55 1wfn s VAL 65 N -1.35 1.66 -0.21 7.11 0.11 -0.93 -4.99 120.40 121.80 1wfn s VAL 65 Ca 0.28 -2.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 1wfn s VAL 65 Cb -0.13 -2.04 0.06 0.00 -1.53 0.00 0.00 36.38 32.74 1wfn s VAL 65 CO 0.20 -0.60 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.43 1wfn s THR 66 N -3.02 1.33 0.30 5.04 2.01 -1.26 -3.98 115.64 116.07 1wfn s THR 66 Ca 0.22 -1.01 0.10 0.00 0.31 0.00 0.00 61.69 61.31 1wfn s THR 66 Cb -0.00 -1.60 -0.06 0.00 0.01 0.00 0.00 72.50 70.85 1wfn s THR 66 CO 0.06 -0.05 -0.13 -1.00 -0.69 0.00 0.00 174.62 172.81 1wfn s HIS 67 N 1.50 2.26 -0.03 4.92 3.76 -0.95 -5.05 115.29 121.71 1wfn s HIS 67 Ca -0.04 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 54.43 1wfn s HIS 67 Cb -0.18 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.35 1wfn s HIS 67 CO -0.07 0.59 -0.09 0.71 -0.85 0.00 0.00 174.74 175.02 1wfn s TYR 68 N -2.64 0.97 0.16 1.40 2.02 -1.26 -3.01 117.35 114.98 1wfn s TYR 68 Ca 0.31 -0.24 0.05 0.00 -0.37 0.00 0.00 57.07 56.81 1wfn s TYR 68 Cb -0.00 -0.69 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 1wfn s TYR 68 CO 0.15 -0.10 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.42 1wfn s LEU 69 N 0.16 2.50 1.04 -1.29 1.43 -0.47 -4.98 118.68 117.07 1wfn s LEU 69 Ca -0.03 -1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 51.88 1wfn s LEU 69 Cb -0.08 -0.35 0.21 0.00 0.03 0.00 0.00 46.19 46.00 1wfn s LEU 69 CO 0.00 -0.34 1.20 -2.16 0.23 0.00 0.00 176.35 175.28 1wfn s PRO 70 N -3.75 0.10 -0.11 1.29 0.04 -1.26 0.03 135.00 131.33 1wfn s PRO 70 Ca 0.18 -0.10 0.03 0.00 0.04 0.00 0.00 61.00 61.14 1wfn s PRO 70 Cb 0.03 -1.75 0.23 0.00 0.04 0.00 0.00 34.50 33.04 1wfn s PRO 70 CO 0.01 -2.83 1.11 0.27 0.04 0.00 0.00 177.00 175.61 1wfn n ASN 71 N -4.13 2.91 -0.00 6.66 6.94 -1.25 -3.22 115.26 123.17 1wfn n ASN 71 Ca 0.12 -2.41 -0.00 0.00 -0.02 0.00 0.00 54.58 52.28 1wfn n ASN 71 Cb 0.59 -0.58 -0.00 0.00 -2.36 0.00 0.00 39.78 37.43 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 0.08 0.00 -3.51 3.53 0.24 -1.26 -4.89 118.33 112.51 1wfn n VAL 72 Ca 0.14 -0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.10 1wfn n VAL 72 Cb 0.73 -0.91 -0.05 0.00 -1.47 0.00 0.00 33.84 32.13 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 -2.00 5.03 -0.00 3.34 2.01 -1.20 -4.96 115.64 117.85 1wfn s THR 73 Ca -0.00 0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.54 1wfn s THR 73 Cb 0.00 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.85 1wfn s THR 73 CO 0.00 0.25 0.68 0.18 -0.69 0.00 0.00 174.62 175.04 1wfn n LEU 74 N 0.79 0.32 -3.90 4.42 4.77 -1.26 -4.75 117.00 117.40 1wfn n LEU 74 Ca -0.07 -0.54 -0.11 0.00 -0.03 0.00 0.00 56.01 55.27 1wfn n LEU 74 Cb 0.52 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1wfn n LEU 74 CO 0.43 0.13 -0.20 -1.83 -1.33 0.00 0.00 177.39 174.59 1wfn s GLU 75 N -0.22 0.49 0.03 3.23 -1.05 -1.26 0.37 118.70 120.29 1wfn s GLU 75 Ca 0.01 -0.50 -0.23 0.00 -0.15 0.00 0.00 54.97 54.10 1wfn s GLU 75 Cb 0.01 0.20 0.05 0.00 -0.44 0.00 0.00 34.13 33.95 1wfn s GLU 75 CO 0.00 -0.11 0.54 -0.47 0.95 0.00 0.00 175.26 176.17 1wfn s TYR 76 N -1.64 -0.46 -0.24 4.83 6.14 0.23 -4.96 117.35 121.26 1wfn s TYR 76 Ca -0.13 0.57 -0.18 0.00 0.64 0.00 0.00 57.07 57.96 1wfn s TYR 76 Cb -0.07 0.35 -0.03 0.00 0.42 0.00 0.00 41.96 42.63 1wfn s TYR 76 CO 0.00 -0.63 0.52 0.50 0.64 0.00 0.00 175.55 176.58 1wfn s ARG 77 N -2.22 4.11 0.19 4.97 3.52 -1.26 0.19 118.95 128.45 1wfn s ARG 77 Ca -0.06 0.36 -0.09 0.00 -0.13 0.00 0.00 55.73 55.81 1wfn s ARG 77 Cb -0.01 -3.62 -0.07 0.00 -1.56 0.00 0.00 34.95 29.69 1wfn s ARG 77 CO 0.00 -0.29 0.49 0.08 -0.81 0.00 0.00 175.30 174.77 1wfn s VAL 78 N 2.12 5.00 -0.06 7.11 1.01 0.38 -4.95 120.40 131.01 1wfn s VAL 78 Ca 0.22 0.39 -0.25 0.00 0.00 0.00 0.00 61.98 62.34 1wfn s VAL 78 Cb -0.16 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.65 1wfn s VAL 78 CO 0.09 0.01 0.56 0.42 0.00 0.00 0.00 175.10 176.17 1wfn s THR 79 N -1.72 0.02 0.00 3.92 -4.23 -1.26 -1.65 115.64 110.72 1wfn s THR 79 Ca 0.44 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 1wfn s THR 79 Cb -0.12 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.86 1wfn s THR 79 CO 0.22 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 1wfn n GLY 80 N 1.21 1.39 0.00 3.99 0.00 -0.40 -5.00 105.19 106.38 1wfn n GLY 80 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.99 0.99 4.77 -1.05 -5.07 117.00 112.64 1wfn n LEU 81 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1wfn n LEU 81 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1wfn n LEU 81 CO 0.00 0.00 -0.40 -0.89 -1.33 0.00 0.00 177.39 174.77 1wfn s THR 82 N 1.17 0.42 0.28 -5.08 2.01 -1.22 -4.71 115.64 108.52 1wfn s THR 82 Ca 0.00 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1wfn s THR 82 Cb 0.00 -0.42 -0.10 0.00 0.01 0.00 0.00 72.50 71.99 1wfn s THR 82 CO 0.00 -0.09 1.31 0.00 -0.69 0.00 0.00 174.62 175.15 1wfn s ALA 83 N -0.62 3.52 -1.24 7.40 0.00 0.23 -3.10 121.76 127.95 1wfn s ALA 83 Ca -0.03 1.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.96 1wfn s ALA 83 Cb -0.05 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1wfn s ALA 83 CO -0.00 -0.59 0.64 1.28 0.00 0.00 0.00 175.76 177.09 1wfn n LEU 84 N 1.55 -2.11 -3.93 0.00 4.77 -1.26 -4.97 117.00 111.06 1wfn n LEU 84 Ca 0.03 -1.08 -0.13 0.00 -0.03 0.00 0.00 56.01 54.80 1wfn n LEU 84 Cb 0.42 -2.17 -0.13 0.00 -2.33 0.00 0.00 43.42 39.21 1wfn n LEU 84 CO 0.59 0.53 -0.37 -0.89 -1.33 0.00 0.00 177.39 175.91 1wfn s THR 85 N -3.65 0.17 -0.23 -5.08 2.01 -1.18 -4.91 115.64 102.76 1wfn s THR 85 Ca 0.33 -0.30 -0.27 0.00 0.31 0.00 0.00 61.69 61.76 1wfn s THR 85 Cb -0.14 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.19 1wfn s THR 85 CO 0.90 -0.08 0.95 -0.89 -0.69 0.00 0.00 174.62 174.80 1wfn s THR 86 N -0.39 4.75 0.24 -0.82 2.01 -1.26 -0.24 115.64 119.93 1wfn s THR 86 Ca -0.03 1.84 0.11 0.00 0.31 0.00 0.00 61.69 63.92 1wfn s THR 86 Cb -0.03 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 1wfn s THR 86 CO -0.00 -0.13 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.30 1wfn s TYR 87 N 3.03 2.11 -0.15 4.92 1.51 0.44 0.96 117.35 130.18 1wfn s TYR 87 Ca 0.40 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.06 1wfn s TYR 87 Cb -0.15 -0.95 0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1wfn s TYR 87 CO 0.07 0.58 -0.13 0.99 -1.11 0.00 0.00 175.55 175.95 1wfn s THR 88 N -2.51 1.52 -0.31 -0.71 2.01 0.25 0.19 115.64 116.07 1wfn s THR 88 Ca 0.26 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.50 1wfn s THR 88 Cb -0.04 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1wfn s THR 88 CO 0.12 0.41 0.20 -0.63 -0.69 0.00 0.00 174.62 174.03 1wfn s ILE 89 N 1.50 5.11 -0.24 1.82 -1.09 -0.56 -1.67 121.20 126.07 1wfn s ILE 89 Ca 0.04 -0.15 -0.09 0.00 -2.23 0.00 0.00 60.65 58.23 1wfn s ILE 89 Cb -0.13 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1wfn s ILE 89 CO -0.10 0.10 0.11 -1.61 -1.23 0.00 0.00 174.94 172.20 1wfn s GLU 90 N 1.71 3.83 -0.20 2.79 8.01 0.12 -1.52 118.70 133.43 1wfn s GLU 90 Ca 0.06 -0.39 0.01 0.00 0.01 0.00 0.00 54.97 54.66 1wfn s GLU 90 Cb -0.17 -3.42 0.03 0.00 -4.31 0.00 0.00 34.13 26.26 1wfn s GLU 90 CO 0.09 -0.08 -0.16 0.08 0.01 0.00 0.00 175.26 175.20 1wfn s VAL 91 N 1.39 2.25 0.18 2.63 1.01 0.96 0.25 120.40 129.07 1wfn s VAL 91 Ca 0.06 -1.04 0.11 0.00 0.00 0.00 0.00 61.98 61.11 1wfn s VAL 91 Cb -0.15 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1wfn s VAL 91 CO 0.05 0.40 -0.21 0.00 0.00 0.00 0.00 175.10 175.34 1wfn s ALA 92 N 1.27 2.60 0.49 5.51 0.00 0.42 0.86 121.76 132.91 1wfn s ALA 92 Ca 0.02 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.41 1wfn s ALA 92 Cb -0.15 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1wfn s ALA 92 CO -0.10 0.45 0.69 0.00 0.00 0.00 0.00 175.76 176.80 1wfn s ALA 93 N -1.62 3.94 -0.02 0.00 0.00 -1.24 0.99 121.76 123.82 1wfn s ALA 93 Ca 0.21 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 1wfn s ALA 93 Cb -0.08 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 21.04 1wfn s ALA 93 CO 0.11 -0.52 0.04 -1.64 0.00 0.00 0.00 175.76 173.75 1wfn s MET 94 N -4.60 -0.01 0.00 0.00 -1.94 0.25 -2.02 119.30 110.98 1wfn s MET 94 Ca 0.53 0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.69 1wfn s MET 94 Cb -0.10 -0.19 0.00 0.00 2.01 0.00 0.00 34.83 36.55 1wfn s MET 94 CO 0.37 -0.13 0.00 0.25 -0.01 0.00 0.00 175.02 175.50 1wfn n THR 95 N 3.96 0.00 0.38 2.05 -2.24 0.04 0.36 114.28 118.83 1wfn n THR 95 Ca -0.24 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.62 1wfn n THR 95 Cb 0.52 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.00 0.28 -0.09 3.42 7.64 -1.26 -2.75 113.62 119.86 1wfn n SER 96 Ca 0.00 0.58 -0.16 0.00 1.01 0.00 0.00 58.87 60.30 1wfn n SER 96 Cb 0.00 -0.63 -0.08 0.00 -1.01 0.00 0.00 64.21 62.48 1wfn n SER 96 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1wfn h LYS 97 N 0.00 0.00 0.00 1.43 1.79 -1.97 -3.51 116.57 114.30 1wfn h LYS 97 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wfn h LYS 97 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1wfn h LYS 97 CO 0.00 0.69 0.00 0.41 -1.08 0.00 0.00 179.45 179.47 1wfn n GLY 98 N 1.50 -0.79 3.09 3.86 0.00 -1.11 -5.08 105.19 106.65 1wfn n GLY 98 Ca -0.24 0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.99 0.00 1.61 0.74 -1.26 -0.78 119.66 120.96 1wfn s GLN 99 Ca 0.00 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 54.92 1wfn s GLN 99 Cb 0.00 -0.96 0.00 0.00 1.10 0.00 0.00 33.01 33.15 1wfn s GLN 99 CO 0.00 0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.41 1wfn n GLY 100 N 2.64 2.96 3.12 2.59 0.00 -0.86 -4.82 105.19 110.81 1wfn n GLY 100 Ca -0.15 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.57 -4.27 1.61 7.27 -0.85 -4.51 117.38 116.05 1wfn n GLN 101 Ca 0.00 -0.16 -0.18 0.00 0.07 0.00 0.00 57.00 56.73 1wfn n GLN 101 Cb 0.00 -1.29 -0.15 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 0.59 -0.49 1.69 0.11 -1.26 -3.60 120.40 115.34 1wfn s VAL 102 Ca 0.44 -0.29 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 1wfn s VAL 102 Cb -0.01 -0.52 0.09 0.00 -1.53 0.00 0.00 36.38 34.41 1wfn s VAL 102 CO 0.68 0.18 0.41 -0.44 -3.33 0.00 0.00 175.10 172.60 1wfn s SER 103 N 0.03 6.12 -0.28 3.54 0.01 0.25 -4.83 113.70 118.54 1wfn s SER 103 Ca -0.00 -1.47 -0.08 0.00 1.31 0.00 0.00 55.95 55.71 1wfn s SER 103 Cb -0.05 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 1wfn s SER 103 CO -0.00 -0.70 0.11 0.00 0.41 0.00 0.00 173.24 173.06 1wfn s ALA 104 N 1.61 3.22 -0.06 1.44 0.00 -1.25 -0.02 121.76 126.70 1wfn s ALA 104 Ca 0.04 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.78 1wfn s ALA 104 Cb -0.26 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 1wfn s ALA 104 CO 0.05 -0.71 -0.23 -1.12 0.00 0.00 0.00 175.76 173.76 1wfn s SER 105 N 1.61 2.80 0.16 0.00 0.01 -0.58 -4.91 113.70 112.79 1wfn s SER 105 Ca 0.05 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.55 1wfn s SER 105 Cb -0.16 -0.80 -0.07 0.00 0.21 0.00 0.00 66.02 65.20 1wfn s SER 105 CO 0.05 0.21 1.02 -0.89 0.41 0.00 0.00 173.24 174.04 1wfn s THR 106 N -0.08 4.16 -0.12 1.44 2.01 -1.26 -1.49 115.64 120.30 1wfn s THR 106 Ca -0.04 1.87 -0.07 0.00 0.31 0.00 0.00 61.69 63.76 1wfn s THR 106 Cb -0.13 -4.20 0.05 0.00 0.01 0.00 0.00 72.50 68.23 1wfn s THR 106 CO 0.03 0.33 0.29 -0.51 -0.69 0.00 0.00 174.62 174.08 1wfn s ILE 107 N -0.30 -0.03 -0.27 1.82 1.10 0.50 -4.96 121.20 119.06 1wfn s ILE 107 Ca 0.47 0.11 -0.11 0.00 -0.51 0.00 0.00 60.65 60.61 1wfn s ILE 107 Cb -0.26 -0.44 -0.05 0.00 0.15 0.00 0.00 42.46 41.86 1wfn s ILE 107 CO 0.32 0.05 0.21 -0.55 -2.11 0.00 0.00 174.94 172.86 1wfn s SER 108 N 1.12 6.06 0.64 4.50 0.15 -1.26 0.17 113.70 125.09 1wfn s SER 108 Ca -0.08 0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.45 1wfn s SER 108 Cb -0.09 -2.13 -0.14 0.00 -1.71 0.00 0.00 66.02 61.96 1wfn s SER 108 CO -0.08 -0.05 -0.36 -1.54 1.20 0.00 0.00 173.24 172.41 1wfn n SER 109 N 4.98 -4.25 0.00 5.45 3.41 0.67 -4.83 113.62 119.04 1wfn n SER 109 Ca -0.13 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1wfn n SER 109 Cb 0.52 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 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 2.68 -1.18 3.64 5.00 0.00 0.49 -4.20 105.19 111.61 1wfn n GLY 110 Ca 0.04 0.00 -0.06 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 -0.01 1.61 0.11 0.91 -4.34 120.40 118.68 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 -0.09 4.39 0.44 1.54 0.04 -1.26 -3.97 135.00 136.08 1wfn s PRO 112 Ca 0.05 1.71 0.24 0.00 0.04 0.00 0.00 61.00 63.04 1wfn s PRO 112 Cb -0.04 -3.48 0.71 0.00 0.04 0.00 0.00 34.50 31.73 1wfn s PRO 112 CO -0.10 -0.37 1.73 -1.00 0.04 0.00 0.00 177.00 177.30 1wfn h PRO 113 N 7.22 0.00 -5.66 0.56 0.13 -1.96 -3.48 132.00 128.81 1wfn h PRO 113 Ca -0.37 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.85 0.17 -0.94 0.43 -0.23 0.00 0.00 178.00 178.27 1wfn n SER 114 N -3.22 -4.89 0.00 1.44 7.64 -1.26 -4.47 113.62 108.86 1wfn n SER 114 Ca 0.02 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1wfn n SER 114 Cb 0.48 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 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 0.37 0.30 3.76 0.23 0.00 -1.26 -4.84 105.19 103.76 1wfn n GLY 115 Ca -0.04 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 -0.63 -0.01 1.61 0.04 -1.26 -5.10 135.00 129.64 1wfn s PRO 116 Ca 0.00 -0.37 -0.13 0.00 0.04 0.00 0.00 61.00 60.54 1wfn s PRO 116 Cb 0.00 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.87 1wfn s PRO 116 CO 0.00 -3.27 0.28 0.45 0.04 0.00 0.00 177.00 174.50 1wfn s SER 117 N -4.49 -0.15 0.05 6.66 0.15 -1.26 -5.05 113.70 109.61 1wfn s SER 117 Ca 0.74 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 57.41 1wfn s SER 117 Cb -0.05 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1wfn s SER 117 CO 0.55 -0.44 -0.03 -0.55 1.20 0.00 0.00 173.24 173.97 1wfn s SER 118 N -1.36 0.47 0.00 5.45 0.15 -1.26 -5.27 113.70 111.88 1wfn s SER 118 Ca -0.14 -0.96 0.17 0.00 0.70 0.00 0.00 55.95 55.72 1wfn s SER 118 Cb -0.06 0.19 0.99 0.00 -1.71 0.00 0.00 66.02 65.44 1wfn s SER 118 CO 0.04 -0.58 1.40 0.61 1.20 0.00 0.00 173.24 175.91