#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfn s SER 2 N 0.00 -0.67 0.27 1.61 0.15 -1.26 -5.17 113.70 108.63 1wfn s SER 2 Ca 0.00 0.02 0.11 0.00 0.70 0.00 0.00 55.95 56.78 1wfn s SER 2 Cb 0.00 1.34 -0.05 0.00 -1.71 0.00 0.00 66.02 65.60 1wfn s SER 2 CO 0.00 -0.12 -0.18 -0.94 1.20 0.00 0.00 173.24 173.21 1wfn s SER 3 N 2.78 3.37 0.00 5.45 1.04 -1.26 -5.00 113.70 120.08 1wfn s SER 3 Ca 0.23 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1wfn s SER 3 Cb -0.03 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1wfn s SER 3 CO -0.22 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1wfn n GLY 4 N -0.58 0.75 1.78 7.32 0.00 -1.26 -5.10 105.19 108.09 1wfn n GLY 4 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.10 0.00 1.61 7.64 -1.26 -5.14 113.62 116.57 1wfn n SER 5 Ca 0.00 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1wfn n SER 5 Cb 0.00 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1wfn n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfn n SER 6 N -3.38 0.00 0.00 6.43 2.88 -1.26 -5.19 113.62 113.10 1wfn n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wfn n SER 6 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1wfn n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfn n GLY 7 N -0.00 2.47 2.57 0.46 0.00 -1.26 -5.16 105.19 104.27 1wfn n GLY 7 Ca 0.00 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 1wfn n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfn n PRO 8 N -1.11 -1.70 -3.76 1.61 -0.04 -1.26 -5.08 135.00 123.66 1wfn n PRO 8 Ca 0.00 -1.33 -0.26 0.00 -0.04 0.00 0.00 63.50 61.88 1wfn n PRO 8 Cb 0.00 -1.05 -0.17 0.00 -0.04 0.00 0.00 33.50 32.24 1wfn n PRO 8 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1wfn s GLN 9 N -4.88 0.70 -0.04 0.54 0.74 -1.26 -5.12 119.66 110.34 1wfn s GLN 9 Ca 0.51 -0.20 -0.09 0.00 0.05 0.00 0.00 55.36 55.63 1wfn s GLN 9 Cb -0.03 -1.62 0.02 0.00 1.10 0.00 0.00 33.01 32.47 1wfn s GLN 9 CO 0.37 -0.48 0.22 -0.51 -0.55 0.00 0.00 175.29 174.35 1wfn s LEU 10 N 1.89 1.19 0.45 3.68 1.02 -1.26 -5.11 118.68 120.55 1wfn s LEU 10 Ca 0.02 0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.33 1wfn s LEU 10 Cb -0.15 0.87 0.00 0.00 0.02 0.00 0.00 46.19 46.93 1wfn s LEU 10 CO -0.07 -0.26 0.00 0.55 0.02 0.00 0.00 176.35 176.59 1wfn n VAL 11 N 2.07 -1.41 0.05 -1.59 3.14 -1.26 -5.03 118.33 114.30 1wfn n VAL 11 Ca -0.18 0.89 0.00 0.00 -2.96 0.00 0.00 64.34 62.09 1wfn n VAL 11 Cb 0.57 -1.42 0.00 0.00 -1.06 0.00 0.00 33.84 31.92 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 -3.06 0.00 -3.49 1.45 0.63 -1.26 -5.07 116.66 105.85 1wfn n ARG 12 Ca -0.04 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.69 1wfn n ARG 12 Cb 0.44 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.22 1wfn n ARG 12 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1wfn s THR 13 N -2.00 -0.28 0.00 5.15 -4.23 -1.26 -5.10 115.64 107.92 1wfn s THR 13 Ca 0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1wfn s THR 13 Cb 0.00 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.08 1wfn s THR 13 CO 0.00 -0.32 0.00 1.57 -0.54 0.00 0.00 174.62 175.33 1wfn n HIS 14 N 5.30 0.00 0.00 3.99 -0.00 -1.26 -5.18 115.22 118.08 1wfn n HIS 14 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 1wfn n HIS 14 Cb 0.48 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 1wfn n HIS 14 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1wfn n GLU 15 N 0.00 0.00 -0.06 1.57 1.02 -1.26 -5.07 120.64 116.84 1wfn n GLU 15 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1wfn n GLU 15 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1wfn n GLU 15 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1wfn h ASP 16 N 0.00 0.00 -1.82 1.62 1.82 -2.00 -3.47 116.42 112.57 1wfn h ASP 16 Ca 0.00 -0.29 -0.51 0.00 -0.39 0.00 0.00 57.03 55.84 1wfn h ASP 16 Cb 0.00 0.00 0.24 0.00 0.68 0.00 0.00 39.33 40.25 1wfn h ASP 16 CO 0.00 0.66 -1.93 1.33 -1.61 0.00 0.00 179.24 177.69 1wfn n VAL 17 N -4.72 0.00 -1.51 2.25 0.24 -1.26 -4.71 118.33 108.62 1wfn n VAL 17 Ca -0.03 -0.23 -0.30 0.00 -2.04 0.00 0.00 64.34 61.73 1wfn n VAL 17 Cb 0.15 -0.18 0.23 0.00 -1.47 0.00 0.00 33.84 32.58 1wfn n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wfn s PRO 18 N -2.44 -0.64 0.00 7.34 0.04 -1.25 -4.84 135.00 133.21 1wfn s PRO 18 Ca 0.43 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.09 1wfn s PRO 18 Cb -0.06 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1wfn s PRO 18 CO 0.72 -3.27 0.00 0.41 0.04 0.00 0.00 177.00 174.89 1wfn n GLY 19 N -2.43 2.67 3.71 0.56 0.00 -1.23 -1.92 105.19 106.55 1wfn n GLY 19 Ca 0.16 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 3.42 4.45 0.34 1.61 0.04 -1.26 -3.72 135.00 139.89 1wfn s PRO 20 Ca 0.00 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.71 1wfn s PRO 20 Cb 0.00 -3.36 0.08 0.00 0.04 0.00 0.00 34.50 31.26 1wfn s PRO 20 CO 0.00 -0.22 0.18 1.33 0.04 0.00 0.00 177.00 178.33 1wfn n VAL 21 N 3.90 0.00 0.00 -0.36 0.24 -1.26 -4.54 118.33 116.31 1wfn n VAL 21 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1wfn n VAL 21 Cb 0.47 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 1wfn n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wfn n GLY 22 N -1.01 -3.02 3.58 7.63 0.00 0.48 -4.71 105.19 108.14 1wfn n GLY 22 Ca 0.03 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 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 3.20 0.56 1.61 0.09 -1.26 -4.61 115.29 114.88 1wfn s HIS 23 Ca 0.00 0.35 -0.21 0.00 -0.00 0.00 0.00 55.06 55.20 1wfn s HIS 23 Cb 0.00 -2.92 -0.04 0.00 -0.00 0.00 0.00 32.58 29.62 1wfn s HIS 23 CO 0.00 -0.49 1.34 -0.51 -0.00 0.00 0.00 174.74 175.08 1wfn s LEU 24 N 2.45 3.81 0.20 0.89 1.02 -1.26 -4.37 118.68 121.41 1wfn s LEU 24 Ca 0.21 2.73 -0.05 0.00 0.02 0.00 0.00 54.13 57.03 1wfn s LEU 24 Cb -0.15 -4.33 -0.03 0.00 0.02 0.00 0.00 46.19 41.70 1wfn s LEU 24 CO 0.12 -1.63 0.23 -0.44 0.02 0.00 0.00 176.35 174.66 1wfn s SER 25 N -1.04 0.09 0.02 2.29 0.01 0.20 -4.94 113.70 110.32 1wfn s SER 25 Ca 0.73 -1.20 -0.09 0.00 1.31 0.00 0.00 55.95 56.70 1wfn s SER 25 Cb -0.39 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1wfn s SER 25 CO 0.46 -0.91 0.19 -0.36 0.41 0.00 0.00 173.24 173.02 1wfn s PHE 26 N -4.09 0.03 0.27 2.43 0.08 -1.26 -1.20 117.98 114.24 1wfn s PHE 26 Ca 0.31 -0.18 -0.19 0.00 0.12 0.00 0.00 56.93 56.98 1wfn s PHE 26 Cb 0.05 -0.03 0.02 0.00 -0.57 0.00 0.00 43.02 42.49 1wfn s PHE 26 CO 0.09 -0.38 0.68 -1.12 -0.10 0.00 0.00 175.22 174.38 1wfn s SER 27 N -1.80 -0.23 -1.36 1.36 0.01 -0.95 -4.97 113.70 105.76 1wfn s SER 27 Ca -0.09 -0.67 -0.18 0.00 1.31 0.00 0.00 55.95 56.32 1wfn s SER 27 Cb -0.03 0.70 0.02 0.00 0.21 0.00 0.00 66.02 66.92 1wfn s SER 27 CO -0.01 -1.31 0.40 -0.62 0.41 0.00 0.00 173.24 172.10 1wfn n GLU 28 N -0.45 -0.81 -2.97 12.44 -0.58 -1.26 -1.75 120.64 125.25 1wfn n GLU 28 Ca -0.04 0.13 -0.40 0.00 -0.42 0.00 0.00 57.16 56.43 1wfn n GLU 28 Cb 0.60 -3.18 -0.06 0.00 -0.57 0.00 0.00 31.44 28.23 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 -3.90 4.53 0.00 -3.67 1.01 -1.26 -4.14 121.20 113.76 1wfn s ILE 29 Ca 0.26 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.59 1wfn s ILE 29 Cb -0.14 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1wfn s ILE 29 CO 0.97 0.45 0.00 0.18 0.00 0.00 0.00 174.94 176.54 1wfn n LEU 30 N 2.16 0.00 -0.04 2.97 7.99 0.15 -4.57 117.00 125.67 1wfn n LEU 30 Ca -0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.92 1wfn n LEU 30 Cb 0.49 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.75 1wfn n LEU 30 CO 0.47 0.00 -0.74 -0.90 -1.51 0.00 0.00 177.39 174.71 1wfn n ASP 31 N 0.00 3.34 -0.58 -1.43 5.68 -1.25 0.21 116.55 122.51 1wfn n ASP 31 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1wfn n ASP 31 Cb 0.00 0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1wfn n ASP 31 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1wfn n THR 32 N -2.41 0.00 -3.71 2.12 -2.24 -1.26 -1.47 114.28 105.31 1wfn n THR 32 Ca -0.12 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1wfn n THR 32 Cb 0.70 0.49 -0.12 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.98 -0.42 0.01 3.42 1.04 -1.26 -1.88 113.70 113.63 1wfn s SER 33 Ca 0.03 0.75 -0.16 0.00 0.48 0.00 0.00 55.95 57.05 1wfn s SER 33 Cb 0.03 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.82 1wfn s SER 33 CO -0.01 -0.18 0.33 -1.48 0.98 0.00 0.00 173.24 172.88 1wfn s LEU 34 N 1.25 0.75 -0.05 2.42 0.05 -0.90 0.35 118.68 122.55 1wfn s LEU 34 Ca -0.09 0.02 -0.15 0.00 0.05 0.00 0.00 54.13 53.97 1wfn s LEU 34 Cb -0.09 1.39 -0.05 0.00 -2.05 0.00 0.00 46.19 45.39 1wfn s LEU 34 CO -0.10 -0.52 0.39 -0.75 -0.55 0.00 0.00 176.35 174.81 1wfn s LYS 35 N -1.79 4.01 0.02 1.48 2.36 -0.72 0.66 119.74 125.76 1wfn s LYS 35 Ca -0.10 0.34 0.05 0.00 -2.55 0.00 0.00 55.97 53.71 1wfn s LYS 35 Cb -0.03 -3.28 -0.03 0.00 -1.05 0.00 0.00 37.83 33.43 1wfn s LYS 35 CO 0.02 0.55 -0.10 0.08 1.55 0.00 0.00 175.35 177.44 1wfn s VAL 36 N -0.58 3.36 0.13 4.02 1.01 0.51 -2.25 120.40 126.59 1wfn s VAL 36 Ca 0.23 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1wfn s VAL 36 Cb -0.16 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1wfn s VAL 36 CO 0.11 0.36 0.12 -0.55 0.00 0.00 0.00 175.10 175.14 1wfn s SER 37 N -1.48 0.24 0.19 3.32 0.15 -0.34 0.69 113.70 116.47 1wfn s SER 37 Ca 0.17 -1.04 -0.20 0.00 0.70 0.00 0.00 55.95 55.58 1wfn s SER 37 Cb -0.11 0.33 0.07 0.00 -1.71 0.00 0.00 66.02 64.60 1wfn s SER 37 CO 0.07 -0.76 0.94 -2.67 1.20 0.00 0.00 173.24 172.03 1wfn n TRP 38 N -0.10 -1.42 -4.61 3.44 2.14 0.12 -0.63 117.44 116.38 1wfn n TRP 38 Ca -0.08 -1.25 -0.29 0.00 2.07 0.00 0.00 57.50 57.95 1wfn n TRP 38 Cb 0.63 0.61 -0.08 0.00 -0.81 0.00 0.00 31.31 31.67 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 -2.05 2.06 0.09 -2.67 -0.21 -1.26 -4.76 119.66 110.85 1wfn s GLN 39 Ca 0.21 -2.29 -0.29 0.00 0.02 0.00 0.00 55.36 53.00 1wfn s GLN 39 Cb -0.03 -0.91 -0.05 0.00 1.00 0.00 0.00 33.01 33.02 1wfn s GLN 39 CO 0.06 -0.47 0.93 -1.21 -2.12 0.00 0.00 175.29 172.48 1wfn s GLU 40 N -3.75 4.66 0.48 2.91 2.02 -1.26 -0.38 118.70 123.38 1wfn s GLU 40 Ca 0.16 1.39 -0.20 0.00 0.02 0.00 0.00 54.97 56.34 1wfn s GLU 40 Cb 0.01 -3.38 -0.09 0.00 0.10 0.00 0.00 34.13 30.78 1wfn s GLU 40 CO 0.10 0.20 1.04 -1.25 0.02 0.00 0.00 175.26 175.37 1wfn s PRO 41 N 0.08 3.81 0.00 0.39 0.04 -1.26 -4.18 135.00 133.88 1wfn s PRO 41 Ca 0.46 1.36 0.29 0.00 0.04 0.00 0.00 61.00 63.15 1wfn s PRO 41 Cb -0.23 -2.10 1.35 0.00 0.04 0.00 0.00 34.50 33.56 1wfn s PRO 41 CO 0.29 -0.42 1.96 0.41 0.04 0.00 0.00 177.00 179.28 1wfn n GLY 42 N -0.25 -1.35 2.07 0.56 0.00 -1.26 -3.20 105.19 101.76 1wfn n GLY 42 Ca 0.09 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.39 2.46 -0.39 1.61 -0.58 -1.26 -4.70 120.64 116.39 1wfn n GLU 43 Ca 0.11 -3.25 0.35 0.00 -0.42 0.00 0.00 57.16 53.95 1wfn n GLU 43 Cb 0.28 -2.17 0.61 0.00 -0.57 0.00 0.00 31.44 29.59 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 -1.03 -0.04 -4.22 3.49 5.02 -1.19 -3.55 118.16 116.64 1wfn n LYS 44 Ca 0.55 1.21 -0.31 0.00 -2.02 0.00 0.00 58.31 57.74 1wfn n LYS 44 Cb 1.14 -2.31 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 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 -4.76 0.26 0.00 4.39 3.02 -1.26 -4.27 115.26 112.64 1wfn n ASN 45 Ca 0.37 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1wfn n ASN 45 Cb 1.38 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.12 0.78 3.39 7.41 0.00 -1.26 -4.72 105.19 108.67 1wfn n GLY 46 Ca -0.20 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 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 -1.69 4.88 0.02 -0.61 -1.09 -1.26 -5.04 121.20 116.42 1wfn s ILE 47 Ca 0.00 -0.93 -0.34 0.00 -2.23 0.00 0.00 60.65 57.15 1wfn s ILE 47 Cb 0.00 -3.81 -0.13 0.00 -1.58 0.00 0.00 42.46 36.95 1wfn s ILE 47 CO 0.00 -0.38 1.73 0.18 -1.23 0.00 0.00 174.94 175.24 1wfn n LEU 48 N 5.08 3.24 0.03 2.97 4.77 -1.26 -4.41 117.00 127.42 1wfn n LEU 48 Ca -0.11 1.03 0.11 0.00 -0.03 0.00 0.00 56.01 57.00 1wfn n LEU 48 Cb 0.45 -1.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.14 1wfn n LEU 48 CO 0.41 -0.18 -0.10 0.35 -1.33 0.00 0.00 177.39 176.54 1wfn n THR 49 N 4.33 0.17 -2.52 -5.08 -2.24 0.56 -4.56 114.28 104.94 1wfn n THR 49 Ca 0.20 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1wfn n THR 49 Cb 0.29 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.35 -1.54 2.98 3.38 0.00 -0.70 -3.42 105.19 107.23 1wfn n GLY 50 Ca 0.01 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.71 0.56 -0.40 1.61 2.02 0.11 0.19 117.35 118.73 1wfn s TYR 51 Ca 0.00 -0.15 -0.10 0.00 -0.37 0.00 0.00 57.07 56.45 1wfn s TYR 51 Cb 0.00 -0.36 0.06 0.00 -0.40 0.00 0.00 41.96 41.26 1wfn s TYR 51 CO 0.00 -0.02 0.23 0.50 -1.57 0.00 0.00 175.55 174.69 1wfn s ARG 52 N -0.34 2.70 0.01 -0.62 3.52 0.37 -0.96 118.95 123.64 1wfn s ARG 52 Ca 0.01 -1.29 -0.02 0.00 -0.13 0.00 0.00 55.73 54.30 1wfn s ARG 52 Cb -0.03 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 1wfn s ARG 52 CO -0.00 -0.83 0.18 -1.50 -0.81 0.00 0.00 175.30 172.33 1wfn s ILE 53 N 1.48 5.33 -0.23 4.11 2.07 -1.11 0.67 121.20 133.51 1wfn s ILE 53 Ca 0.02 -0.27 -0.05 0.00 -1.41 0.00 0.00 60.65 58.94 1wfn s ILE 53 Cb -0.21 -3.52 0.12 0.00 0.13 0.00 0.00 42.46 38.97 1wfn s ILE 53 CO 0.04 0.27 0.42 -0.94 -1.91 0.00 0.00 174.94 172.82 1wfn s SER 54 N -2.10 -0.16 0.05 4.50 1.04 0.16 -1.41 113.70 115.79 1wfn s SER 54 Ca 0.29 0.69 0.01 0.00 0.48 0.00 0.00 55.95 57.42 1wfn s SER 54 Cb -0.13 1.34 -0.04 0.00 0.10 0.00 0.00 66.02 67.29 1wfn s SER 54 CO 0.21 -0.26 0.15 -1.66 0.98 0.00 0.00 173.24 172.66 1wfn s TRP 55 N 2.61 3.40 -0.16 5.02 -2.14 -1.25 0.44 118.94 126.86 1wfn s TRP 55 Ca 0.06 0.20 -0.30 0.00 2.66 0.00 0.00 56.10 58.72 1wfn s TRP 55 Cb -0.14 -1.72 0.13 0.00 -3.10 0.00 0.00 33.47 28.65 1wfn s TRP 55 CO -0.15 0.57 1.03 -1.83 -2.66 0.00 0.00 176.95 173.92 1wfn s GLU 56 N -2.35 0.55 1.16 3.25 -1.05 -0.51 -2.39 118.70 117.36 1wfn s GLU 56 Ca 0.31 0.06 -0.17 0.00 -0.15 0.00 0.00 54.97 55.02 1wfn s GLU 56 Cb -0.13 0.26 0.20 0.00 -0.44 0.00 0.00 34.13 34.02 1wfn s GLU 56 CO 0.24 -0.19 0.37 0.39 0.95 0.00 0.00 175.26 177.02 1wfn n GLU 57 N 0.54 -2.51 0.15 -4.83 1.02 -1.24 0.18 120.64 113.96 1wfn n GLU 57 Ca -0.08 -0.73 -0.15 0.00 -0.02 0.00 0.00 57.16 56.18 1wfn n GLU 57 Cb 0.58 -1.73 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.62 -1.33 -0.47 -0.32 3.20 -1.41 -3.32 116.97 110.70 1wfn h TYR 58 Ca -0.45 0.03 -0.32 0.00 3.14 0.00 0.00 58.73 61.13 1wfn h TYR 58 Cb 1.19 0.55 -0.39 0.00 1.54 0.00 0.00 36.73 39.62 1wfn h TYR 58 CO -1.41 -0.55 -0.99 -1.71 -1.64 0.00 0.00 178.16 171.86 1wfn n ASN 59 N -5.14 2.60 -3.80 -2.11 2.85 -1.26 -4.85 115.26 103.56 1wfn n ASN 59 Ca -0.09 -2.67 -0.28 0.00 -0.11 0.00 0.00 54.58 51.43 1wfn n ASN 59 Cb 0.38 -0.42 -0.12 0.00 1.24 0.00 0.00 39.78 40.86 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 -3.39 1.97 0.42 1.20 0.52 -1.25 -4.92 118.95 113.50 1wfn s ARG 60 Ca 0.36 -2.85 0.09 0.00 -0.52 0.00 0.00 55.73 52.81 1wfn s ARG 60 Cb 0.36 -2.92 0.89 0.00 0.52 0.00 0.00 34.95 33.80 1wfn s ARG 60 CO -0.03 -1.26 2.02 1.15 0.02 0.00 0.00 175.30 177.20 1wfn h THR 61 N 4.71 1.11 -0.56 0.02 2.02 -1.92 -1.34 112.91 116.95 1wfn h THR 61 Ca 0.11 -0.38 0.16 0.00 0.77 0.00 0.00 66.41 67.08 1wfn h THR 61 Cb 0.82 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1wfn h THR 61 CO 0.62 0.14 0.77 0.78 0.37 0.00 0.00 175.52 178.20 1wfn h ASN 62 N 0.35 0.00 -1.69 4.18 4.21 -1.99 0.65 115.58 121.29 1wfn h ASN 62 Ca 0.09 0.00 -0.68 0.00 1.21 0.00 0.00 56.30 56.91 1wfn h ASN 62 Cb 0.11 0.00 -0.34 0.00 -1.12 0.00 0.00 38.32 36.97 1wfn h ASN 62 CO -0.01 0.00 0.27 0.35 -1.29 0.00 0.00 177.43 176.75 1wfn n THR 63 N -3.33 3.07 -4.09 2.81 -2.24 -0.51 -5.00 114.28 105.00 1wfn n THR 63 Ca 0.11 -4.46 -0.30 0.00 -2.27 0.00 0.00 64.05 57.13 1wfn n THR 63 Cb 0.96 -1.24 -0.07 0.00 -2.10 0.00 0.00 70.33 67.88 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 -3.83 2.76 0.06 -0.78 3.00 0.23 -3.81 118.95 116.58 1wfn s ARG 64 Ca 0.51 -0.74 -0.01 0.00 -1.00 0.00 0.00 55.73 54.50 1wfn s ARG 64 Cb 0.43 -2.66 -0.04 0.00 0.00 0.00 0.00 34.95 32.67 1wfn s ARG 64 CO -0.28 0.56 -0.03 0.54 0.00 0.00 0.00 175.30 176.08 1wfn s VAL 65 N -1.35 0.28 -0.22 7.11 0.11 -1.00 -5.01 120.40 120.32 1wfn s VAL 65 Ca 0.28 -1.83 -0.03 0.00 -2.93 0.00 0.00 61.98 57.47 1wfn s VAL 65 Cb -0.12 -1.55 0.07 0.00 -1.53 0.00 0.00 36.38 33.25 1wfn s VAL 65 CO 0.20 -0.98 0.07 -0.89 -3.33 0.00 0.00 175.10 170.17 1wfn s THR 66 N -3.88 0.41 0.36 5.04 2.01 -1.26 -3.85 115.64 114.47 1wfn s THR 66 Ca 0.08 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.50 1wfn s THR 66 Cb 0.08 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1wfn s THR 66 CO -0.09 -0.36 0.16 -1.00 -0.69 0.00 0.00 174.62 172.64 1wfn s HIS 67 N 1.89 2.67 -0.01 4.92 3.76 -0.50 -5.02 115.29 123.00 1wfn s HIS 67 Ca 0.02 -0.45 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 1wfn s HIS 67 Cb -0.17 -1.75 -0.00 0.00 1.11 0.00 0.00 32.58 31.77 1wfn s HIS 67 CO -0.15 0.27 -0.09 0.71 -0.85 0.00 0.00 174.74 174.63 1wfn s TYR 68 N -2.48 0.89 0.12 1.40 2.02 -1.26 -2.75 117.35 115.29 1wfn s TYR 68 Ca 0.39 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.93 1wfn s TYR 68 Cb -0.01 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 1wfn s TYR 68 CO 0.23 -0.04 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.57 1wfn s LEU 69 N -0.08 2.51 1.09 -1.29 1.43 -0.14 -4.98 118.68 117.22 1wfn s LEU 69 Ca 0.01 -0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 51.94 1wfn s LEU 69 Cb -0.05 -0.20 0.25 0.00 0.03 0.00 0.00 46.19 46.22 1wfn s LEU 69 CO -0.00 -0.40 1.22 -2.16 0.23 0.00 0.00 176.35 175.25 1wfn s PRO 70 N -3.71 -0.34 -0.07 1.29 0.04 -1.26 0.06 135.00 131.00 1wfn s PRO 70 Ca 0.13 -0.27 0.06 0.00 0.04 0.00 0.00 61.00 60.96 1wfn s PRO 70 Cb 0.04 -1.72 0.29 0.00 0.04 0.00 0.00 34.50 33.15 1wfn s PRO 70 CO -0.02 -3.09 1.00 0.27 0.04 0.00 0.00 177.00 175.19 1wfn n ASN 71 N -4.28 2.54 -0.01 6.66 0.23 -1.22 -3.15 115.26 116.03 1wfn n ASN 71 Ca 0.15 -2.29 0.02 0.00 -0.53 0.00 0.00 54.58 51.93 1wfn n ASN 71 Cb 0.59 -0.51 -0.06 0.00 -2.08 0.00 0.00 39.78 37.73 1wfn n ASN 71 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1wfn n VAL 72 N 0.24 0.11 -4.05 3.53 0.24 -1.26 -4.94 118.33 112.20 1wfn n VAL 72 Ca 0.10 -0.20 -0.34 0.00 -2.04 0.00 0.00 64.34 61.87 1wfn n VAL 72 Cb 0.54 0.05 -0.07 0.00 -1.47 0.00 0.00 33.84 32.90 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 -2.43 4.96 -0.00 3.34 2.01 -1.19 -4.97 115.64 117.36 1wfn s THR 73 Ca -0.03 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1wfn s THR 73 Cb 0.04 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.31 1wfn s THR 73 CO 0.30 0.41 0.65 0.18 -0.69 0.00 0.00 174.62 175.47 1wfn n LEU 74 N 1.36 0.30 -3.90 4.42 4.77 -1.26 -4.73 117.00 117.96 1wfn n LEU 74 Ca -0.14 -0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 55.27 1wfn n LEU 74 Cb 0.53 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1wfn n LEU 74 CO 0.37 0.11 -0.21 -1.83 -1.33 0.00 0.00 177.39 174.51 1wfn s GLU 75 N -0.19 0.48 0.03 3.23 1.03 -1.26 0.11 118.70 122.13 1wfn s GLU 75 Ca 0.01 -0.51 -0.25 0.00 0.03 0.00 0.00 54.97 54.24 1wfn s GLU 75 Cb 0.01 0.19 0.06 0.00 -0.80 0.00 0.00 34.13 33.59 1wfn s GLU 75 CO 0.00 -0.11 0.58 -0.47 -1.33 0.00 0.00 175.26 173.93 1wfn s TYR 76 N -1.67 -0.52 -0.22 4.83 6.14 0.22 -4.95 117.35 121.18 1wfn s TYR 76 Ca -0.13 0.67 -0.13 0.00 0.64 0.00 0.00 57.07 58.11 1wfn s TYR 76 Cb -0.07 0.40 -0.04 0.00 0.42 0.00 0.00 41.96 42.67 1wfn s TYR 76 CO -0.00 -0.66 0.29 0.50 0.64 0.00 0.00 175.55 176.32 1wfn s ARG 77 N -2.21 4.12 0.19 4.97 3.00 -1.26 0.19 118.95 127.95 1wfn s ARG 77 Ca -0.06 -0.01 -0.04 0.00 -1.00 0.00 0.00 55.73 54.62 1wfn s ARG 77 Cb -0.01 -3.54 -0.05 0.00 0.00 0.00 0.00 34.95 31.35 1wfn s ARG 77 CO 0.00 -0.00 0.42 0.08 0.00 0.00 0.00 175.30 175.80 1wfn s VAL 78 N 1.22 5.14 0.04 7.11 1.01 0.21 -4.95 120.40 130.18 1wfn s VAL 78 Ca 0.14 -0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 1wfn s VAL 78 Cb -0.14 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.61 1wfn s VAL 78 CO 0.06 -0.09 0.45 0.42 0.00 0.00 0.00 175.10 175.95 1wfn s THR 79 N -1.80 0.05 0.00 3.92 -4.23 -1.26 -2.13 115.64 110.19 1wfn s THR 79 Ca 0.41 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1wfn s THR 79 Cb -0.11 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.78 1wfn s THR 79 CO 0.26 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1wfn n GLY 80 N 0.52 1.22 0.00 3.99 0.00 -0.79 -5.00 105.19 105.13 1wfn n GLY 80 Ca -0.19 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.05 0.00 -3.97 0.99 4.77 -1.01 -5.09 117.00 112.64 1wfn n LEU 81 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1wfn n LEU 81 Cb 0.22 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.19 1wfn n LEU 81 CO 0.00 0.00 -0.37 -0.89 -1.33 0.00 0.00 177.39 174.80 1wfn s THR 82 N 2.90 0.18 0.38 -5.08 2.01 -1.25 -4.81 115.64 109.97 1wfn s THR 82 Ca 0.00 -0.71 -0.26 0.00 0.31 0.00 0.00 61.69 61.02 1wfn s THR 82 Cb 0.00 -0.28 -0.09 0.00 0.01 0.00 0.00 72.50 72.15 1wfn s THR 82 CO 0.00 -0.34 1.21 0.00 -0.69 0.00 0.00 174.62 174.80 1wfn s ALA 83 N -1.07 3.26 -1.42 7.40 0.00 -0.54 -3.18 121.76 126.21 1wfn s ALA 83 Ca -0.11 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.79 1wfn s ALA 83 Cb -0.08 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1wfn s ALA 83 CO -0.01 -0.57 0.26 1.28 0.00 0.00 0.00 175.76 176.73 1wfn n LEU 84 N 0.33 -0.72 -4.08 0.00 4.77 -1.26 -4.93 117.00 111.12 1wfn n LEU 84 Ca 0.03 -1.28 -0.18 0.00 -0.03 0.00 0.00 56.01 54.55 1wfn n LEU 84 Cb 0.45 -1.62 -0.13 0.00 -2.33 0.00 0.00 43.42 39.79 1wfn n LEU 84 CO 0.54 0.60 -0.44 -0.89 -1.33 0.00 0.00 177.39 175.87 1wfn s THR 85 N -4.06 0.82 0.07 -5.08 2.01 -1.19 -4.93 115.64 103.28 1wfn s THR 85 Ca 0.18 -0.80 -0.27 0.00 0.31 0.00 0.00 61.69 61.11 1wfn s THR 85 Cb -0.10 -0.76 -0.06 0.00 0.01 0.00 0.00 72.50 71.59 1wfn s THR 85 CO 0.99 -0.03 0.83 -0.89 -0.69 0.00 0.00 174.62 174.83 1wfn s THR 86 N -0.76 4.63 0.06 -0.82 2.01 -1.26 -0.70 115.64 118.80 1wfn s THR 86 Ca -0.01 1.79 0.00 0.00 0.31 0.00 0.00 61.69 63.78 1wfn s THR 86 Cb -0.07 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1wfn s THR 86 CO 0.01 0.36 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.94 1wfn s TYR 87 N -0.10 0.60 -0.15 4.92 1.51 0.11 -1.10 117.35 123.13 1wfn s TYR 87 Ca 0.41 -0.90 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 1wfn s TYR 87 Cb -0.22 -0.40 0.02 0.00 -0.11 0.00 0.00 41.96 41.26 1wfn s TYR 87 CO 0.25 -0.26 -0.15 0.99 -1.11 0.00 0.00 175.55 175.27 1wfn s THR 88 N -3.27 1.66 -0.31 -0.71 2.01 0.47 0.20 115.64 115.69 1wfn s THR 88 Ca 0.04 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 1wfn s THR 88 Cb 0.03 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1wfn s THR 88 CO -0.06 0.47 0.18 -0.63 -0.69 0.00 0.00 174.62 173.89 1wfn s ILE 89 N 1.41 4.96 -0.26 1.82 -1.09 -0.63 -1.43 121.20 125.98 1wfn s ILE 89 Ca 0.04 -0.21 -0.10 0.00 -2.23 0.00 0.00 60.65 58.16 1wfn s ILE 89 Cb -0.13 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 1wfn s ILE 89 CO -0.10 0.10 0.15 -1.61 -1.23 0.00 0.00 174.94 172.25 1wfn s GLU 90 N 1.68 3.92 -0.23 2.79 2.02 0.17 -1.40 118.70 127.66 1wfn s GLU 90 Ca 0.06 -0.34 -0.03 0.00 0.02 0.00 0.00 54.97 54.68 1wfn s GLU 90 Cb -0.17 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.53 1wfn s GLU 90 CO 0.08 -0.09 -0.05 0.08 0.02 0.00 0.00 175.26 175.30 1wfn s VAL 91 N 1.47 3.15 0.31 2.63 1.01 -0.05 0.36 120.40 129.28 1wfn s VAL 91 Ca 0.07 -0.70 0.11 0.00 0.00 0.00 0.00 61.98 61.45 1wfn s VAL 91 Cb -0.15 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.69 1wfn s VAL 91 CO 0.07 0.34 -0.14 0.00 0.00 0.00 0.00 175.10 175.37 1wfn s ALA 92 N 1.42 2.86 0.29 5.51 0.00 0.21 0.49 121.76 132.55 1wfn s ALA 92 Ca 0.04 -1.96 0.07 0.00 0.00 0.00 0.00 51.96 50.11 1wfn s ALA 92 Cb -0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1wfn s ALA 92 CO -0.04 0.19 0.24 0.00 0.00 0.00 0.00 175.76 176.15 1wfn s ALA 93 N -2.54 3.70 -0.07 0.00 0.00 -1.25 0.14 121.76 121.75 1wfn s ALA 93 Ca 0.31 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1wfn s ALA 93 Cb -0.02 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.87 1wfn s ALA 93 CO 0.16 0.15 -0.04 -1.64 0.00 0.00 0.00 175.76 174.38 1wfn s MET 94 N -3.91 0.97 0.00 0.00 -1.94 0.50 -2.13 119.30 112.78 1wfn s MET 94 Ca 0.36 -0.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.24 1wfn s MET 94 Cb -0.07 -1.06 0.00 0.00 2.01 0.00 0.00 34.83 35.71 1wfn s MET 94 CO 0.26 -0.16 0.00 0.25 -0.01 0.00 0.00 175.02 175.35 1wfn n THR 95 N 4.49 0.00 0.46 2.05 -2.24 0.68 0.21 114.28 119.92 1wfn n THR 95 Ca -0.17 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1wfn n THR 95 Cb 0.51 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 69.20 1wfn n THR 95 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wfn n SER 96 N -0.66 0.61 -0.10 3.42 3.41 -1.26 -3.09 113.62 115.95 1wfn n SER 96 Ca 0.00 0.63 -0.18 0.00 -0.26 0.00 0.00 58.87 59.06 1wfn n SER 96 Cb 0.00 -0.77 -0.10 0.00 -0.26 0.00 0.00 64.21 63.08 1wfn n SER 96 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1wfn h LYS 97 N 0.00 0.00 0.00 4.33 1.79 -1.96 -3.51 116.57 117.22 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 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1wfn h LYS 97 CO 0.00 0.84 0.00 0.41 -1.08 0.00 0.00 179.45 179.62 1wfn n GLY 98 N 1.48 -0.52 3.44 3.86 0.00 -1.18 -5.05 105.19 107.21 1wfn n GLY 98 Ca -0.26 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 3.24 0.00 1.61 0.74 -1.26 -0.23 119.66 123.76 1wfn s GLN 99 Ca 0.00 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 54.77 1wfn s GLN 99 Cb 0.00 -2.65 0.00 0.00 1.10 0.00 0.00 33.01 31.46 1wfn s GLN 99 CO 0.00 0.33 0.00 0.41 -0.55 0.00 0.00 175.29 175.48 1wfn n GLY 100 N 3.20 1.64 3.10 2.59 0.00 -0.91 -4.88 105.19 109.93 1wfn n GLY 100 Ca -0.18 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.33 -0.52 -4.02 1.61 7.27 -0.81 -4.47 117.38 116.11 1wfn n GLN 101 Ca 0.00 -0.15 -0.14 0.00 0.07 0.00 0.00 57.00 56.79 1wfn n GLN 101 Cb 0.00 -1.25 -0.14 0.00 2.41 0.00 0.00 30.24 31.26 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 0.23 -0.49 1.69 0.11 -1.26 -3.75 120.40 114.84 1wfn s VAL 102 Ca 0.43 -0.24 -0.13 0.00 -2.93 0.00 0.00 61.98 59.12 1wfn s VAL 102 Cb 0.01 -0.22 0.11 0.00 -1.53 0.00 0.00 36.38 34.75 1wfn s VAL 102 CO 0.67 -0.01 0.40 -0.44 -3.33 0.00 0.00 175.10 172.39 1wfn s SER 103 N -0.27 5.95 -0.32 3.54 0.01 0.18 -4.82 113.70 117.98 1wfn s SER 103 Ca -0.01 -1.69 -0.13 0.00 1.31 0.00 0.00 55.95 55.43 1wfn s SER 103 Cb -0.02 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.07 1wfn s SER 103 CO -0.00 -0.72 0.28 0.00 0.41 0.00 0.00 173.24 173.21 1wfn s ALA 104 N 1.51 3.52 -0.10 1.44 0.00 -1.25 -0.87 121.76 126.01 1wfn s ALA 104 Ca 0.04 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1wfn s ALA 104 Cb -0.27 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 1wfn s ALA 104 CO 0.02 -0.86 -0.21 -1.12 0.00 0.00 0.00 175.76 173.59 1wfn s SER 105 N 1.73 3.35 -0.12 0.00 0.01 -0.49 -4.20 113.70 113.98 1wfn s SER 105 Ca 0.09 -0.48 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 1wfn s SER 105 Cb -0.17 -1.33 -0.02 0.00 0.21 0.00 0.00 66.02 64.71 1wfn s SER 105 CO 0.11 0.18 1.19 -0.89 0.41 0.00 0.00 173.24 174.24 1wfn s THR 106 N 0.21 4.36 -0.05 1.44 2.01 -1.26 -1.60 115.64 120.75 1wfn s THR 106 Ca -0.13 1.66 -0.02 0.00 0.31 0.00 0.00 61.69 63.51 1wfn s THR 106 Cb -0.16 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.31 1wfn s THR 106 CO 0.07 -0.07 0.09 -0.51 -0.69 0.00 0.00 174.62 173.51 1wfn s ILE 107 N 2.77 -0.08 -0.13 1.82 -1.16 0.54 -4.95 121.20 120.01 1wfn s ILE 107 Ca 0.54 0.24 -0.06 0.00 -0.51 0.00 0.00 60.65 60.85 1wfn s ILE 107 Cb -0.22 -0.17 -0.04 0.00 0.61 0.00 0.00 42.46 42.64 1wfn s ILE 107 CO 0.17 0.10 0.09 -0.55 -2.81 0.00 0.00 174.94 171.94 1wfn s SER 108 N 1.32 5.96 0.99 4.50 0.15 -1.26 0.08 113.70 125.45 1wfn s SER 108 Ca -0.07 0.30 -0.17 0.00 0.70 0.00 0.00 55.95 56.72 1wfn s SER 108 Cb -0.12 -1.91 -0.05 0.00 -1.71 0.00 0.00 66.02 62.22 1wfn s SER 108 CO -0.04 0.34 -0.30 -1.54 1.20 0.00 0.00 173.24 172.89 1wfn n SER 109 N 2.46 -3.72 0.00 5.45 3.41 0.12 -4.88 113.62 116.47 1wfn n SER 109 Ca -0.19 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wfn n SER 109 Cb 0.54 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 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 2.52 0.84 3.64 5.00 0.00 0.55 -4.41 105.19 113.33 1wfn n GLY 110 Ca 0.02 0.00 -0.04 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 -0.07 0.00 -0.01 1.61 0.11 0.20 -4.44 120.40 117.80 1wfn s VAL 111 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1wfn s VAL 111 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1wfn s VAL 111 CO 0.00 0.00 1.20 -2.16 -3.33 0.00 0.00 175.10 170.81 1wfn s PRO 112 N -0.19 4.38 0.93 1.54 0.04 -1.26 -3.97 135.00 136.46 1wfn s PRO 112 Ca 0.07 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.69 1wfn s PRO 112 Cb -0.04 -3.49 0.15 0.00 0.04 0.00 0.00 34.50 31.16 1wfn s PRO 112 CO -0.12 -0.38 1.14 -1.25 0.04 0.00 0.00 177.00 176.43 1wfn s PRO 113 N 1.82 1.00 -0.30 0.56 0.04 -1.26 -5.06 135.00 131.80 1wfn s PRO 113 Ca 0.57 0.24 -0.19 0.00 0.04 0.00 0.00 61.00 61.66 1wfn s PRO 113 Cb -0.26 -1.83 0.19 0.00 0.04 0.00 0.00 34.50 32.64 1wfn s PRO 113 CO 0.25 -2.28 1.27 0.45 0.04 0.00 0.00 177.00 176.72 1wfn s SER 114 N -4.06 -0.08 0.89 6.66 0.15 -1.26 -5.15 113.70 110.84 1wfn s SER 114 Ca 0.65 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1wfn s SER 114 Cb -0.14 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 1wfn s SER 114 CO 0.53 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.57 1wfn n GLY 115 N 4.80 0.81 3.82 9.45 0.00 -1.26 -4.76 105.19 118.05 1wfn n GLY 115 Ca -0.07 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 3.01 0.18 1.61 0.04 -1.26 -5.07 135.00 133.52 1wfn s PRO 116 Ca 0.00 0.99 0.06 0.00 0.04 0.00 0.00 61.00 62.09 1wfn s PRO 116 Cb 0.00 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1wfn s PRO 116 CO 0.00 -1.04 0.10 -1.12 0.04 0.00 0.00 177.00 174.97 1wfn s SER 117 N -3.65 5.24 -0.35 6.66 0.01 -1.26 -5.10 113.70 115.26 1wfn s SER 117 Ca 0.59 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.63 1wfn s SER 117 Cb -0.14 -1.28 0.19 0.00 0.21 0.00 0.00 66.02 65.00 1wfn s SER 117 CO 0.52 0.06 0.70 -0.55 0.41 0.00 0.00 173.24 174.38 1wfn s SER 118 N -3.19 -1.34 0.00 2.44 0.15 -1.26 -5.24 113.70 105.26 1wfn s SER 118 Ca 0.30 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1wfn s SER 118 Cb -0.09 1.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.98 1wfn s SER 118 CO 0.22 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.08