#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 -0.05 -0.19 1.61 0.01 -1.26 -5.19 113.70 108.64 1wfn s SER 2 Ca 0.00 -0.01 -0.35 0.00 1.31 0.00 0.00 55.95 56.90 1wfn s SER 2 Cb 0.00 0.06 0.14 0.00 0.21 0.00 0.00 66.02 66.42 1wfn s SER 2 CO 0.00 -0.09 1.20 -0.55 0.41 0.00 0.00 173.24 174.21 1wfn s SER 3 N -2.19 -0.14 0.00 2.44 0.15 -1.26 -5.18 113.70 107.52 1wfn s SER 3 Ca 0.11 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1wfn s SER 3 Cb 0.00 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1wfn s SER 3 CO -0.03 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1wfn n GLY 4 N -0.07 4.55 0.00 9.45 0.00 -1.26 -5.16 105.19 112.70 1wfn n GLY 4 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1wfn n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfn n SER 5 N 0.00 0.00 -3.63 1.61 2.88 -1.26 -5.19 113.62 108.03 1wfn n SER 5 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1wfn n SER 5 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1wfn n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfn s SER 6 N 0.00 -0.25 0.00 -3.46 0.15 -1.26 -5.19 113.70 103.70 1wfn s SER 6 Ca 0.00 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1wfn s SER 6 Cb 0.00 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1wfn s SER 6 CO 0.00 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1wfn n GLY 7 N -0.36 3.84 3.79 9.45 0.00 -1.26 -5.16 105.19 115.49 1wfn n GLY 7 Ca -0.07 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 1wfn n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfn s PRO 8 N -2.47 1.42 -0.30 1.61 0.04 -1.26 -5.07 135.00 128.97 1wfn s PRO 8 Ca 0.00 0.39 -0.00 0.00 0.04 0.00 0.00 61.00 61.43 1wfn s PRO 8 Cb 0.00 -1.86 0.13 0.00 0.04 0.00 0.00 34.50 32.81 1wfn s PRO 8 CO 0.00 -2.03 0.28 -1.14 0.04 0.00 0.00 177.00 174.15 1wfn s GLN 9 N -5.24 0.34 -0.45 4.56 -0.44 -1.26 -5.07 119.66 112.10 1wfn s GLN 9 Ca 0.63 -0.28 0.02 0.00 -2.50 0.00 0.00 55.36 53.23 1wfn s GLN 9 Cb -0.15 -0.73 0.14 0.00 -1.64 0.00 0.00 33.01 30.63 1wfn s GLN 9 CO 0.54 -1.05 0.26 -0.51 0.50 0.00 0.00 175.29 175.03 1wfn s LEU 10 N 2.22 2.60 -0.38 3.68 1.02 -1.26 -5.08 118.68 121.47 1wfn s LEU 10 Ca 0.10 -2.70 -0.29 0.00 0.02 0.00 0.00 54.13 51.26 1wfn s LEU 10 Cb -0.14 -0.98 0.01 0.00 0.02 0.00 0.00 46.19 45.10 1wfn s LEU 10 CO -0.30 -0.25 1.37 0.54 0.02 0.00 0.00 176.35 177.73 1wfn s VAL 11 N 0.28 3.98 -0.24 -1.59 0.11 -1.26 -4.93 120.40 116.75 1wfn s VAL 11 Ca 0.19 1.03 -0.28 0.00 -2.93 0.00 0.00 61.98 59.99 1wfn s VAL 11 Cb -0.21 -4.21 0.16 0.00 -1.53 0.00 0.00 36.38 30.59 1wfn s VAL 11 CO -0.02 -0.69 1.19 -0.13 -3.33 0.00 0.00 175.10 172.11 1wfn s ARG 12 N 4.71 0.33 -0.35 1.54 0.52 -1.26 -5.10 118.95 119.33 1wfn s ARG 12 Ca 0.59 0.15 -0.27 0.00 -0.52 0.00 0.00 55.73 55.68 1wfn s ARG 12 Cb -0.14 0.16 -0.06 0.00 0.52 0.00 0.00 34.95 35.43 1wfn s ARG 12 CO 0.30 -0.09 2.29 0.95 0.02 0.00 0.00 175.30 178.77 1wfn s THR 13 N -0.76 3.02 -0.91 0.02 -4.23 -1.26 -4.84 115.64 106.69 1wfn s THR 13 Ca 0.04 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1wfn s THR 13 Cb -0.02 -3.04 0.34 0.00 1.34 0.00 0.00 72.50 71.12 1wfn s THR 13 CO -0.05 -0.03 1.90 1.41 -0.54 0.00 0.00 174.62 177.31 1wfn n HIS 14 N 13.59 2.93 -1.54 3.99 8.25 -1.26 -4.98 115.22 136.21 1wfn n HIS 14 Ca 0.33 -2.48 0.00 0.00 -0.26 0.00 0.00 57.72 55.31 1wfn n HIS 14 Cb 0.50 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.46 1wfn n HIS 14 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1wfn n GLU 15 N -0.34 -4.22 0.28 -0.41 1.02 -1.26 -4.76 120.64 110.96 1wfn n GLU 15 Ca 0.50 3.21 -0.16 0.00 -0.02 0.00 0.00 57.16 60.69 1wfn n GLU 15 Cb 0.26 -3.81 -0.08 0.00 -0.02 0.00 0.00 31.44 27.79 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 0.88 -0.60 -1.89 1.62 1.82 -1.97 -3.44 116.42 112.83 1wfn h ASP 16 Ca 0.00 -0.04 -0.52 0.00 -0.39 0.00 0.00 57.03 56.08 1wfn h ASP 16 Cb 0.47 0.16 0.24 0.00 0.68 0.00 0.00 39.33 40.88 1wfn h ASP 16 CO 0.00 -0.32 -1.90 1.33 -1.61 0.00 0.00 179.24 176.73 1wfn n VAL 17 N -5.34 0.00 -1.51 2.25 0.24 -1.26 -4.74 118.33 107.97 1wfn n VAL 17 Ca -0.12 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.34 61.61 1wfn n VAL 17 Cb 0.32 -0.15 0.23 0.00 -1.47 0.00 0.00 33.84 32.77 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 -2.37 -0.56 0.00 7.34 0.04 -1.26 -4.85 135.00 133.34 1wfn s PRO 18 Ca 0.43 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1wfn s PRO 18 Cb -0.08 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1wfn s PRO 18 CO 0.74 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.96 1wfn n GLY 19 N -2.43 1.88 3.70 0.56 0.00 -1.23 -1.84 105.19 105.84 1wfn n GLY 19 Ca 0.16 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 3.73 4.40 0.00 1.61 0.04 -1.26 -3.53 135.00 139.99 1wfn s PRO 20 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1wfn s PRO 20 Cb 0.00 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1wfn s PRO 20 CO 0.00 -0.33 0.00 1.33 0.04 0.00 0.00 177.00 178.04 1wfn n VAL 21 N 4.23 0.00 0.00 -0.36 0.24 -1.26 -4.44 118.33 116.73 1wfn n VAL 21 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1wfn n VAL 21 Cb 0.47 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 0.00 -2.88 3.58 7.63 0.00 0.87 -4.69 105.19 109.70 1wfn n GLY 22 Ca 0.00 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 1wfn n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1wfn s HIS 23 N 0.00 3.21 0.23 1.61 -3.43 -1.26 -4.65 115.29 111.00 1wfn s HIS 23 Ca 0.00 0.34 -0.31 0.00 -0.80 0.00 0.00 55.06 54.28 1wfn s HIS 23 Cb 0.00 -2.81 -0.14 0.00 -1.43 0.00 0.00 32.58 28.20 1wfn s HIS 23 CO 0.00 -0.42 1.27 1.28 -2.00 0.00 0.00 174.74 174.87 1wfn n LEU 24 N 5.62 2.42 -3.91 5.38 7.99 -1.26 -4.59 117.00 128.65 1wfn n LEU 24 Ca -0.05 1.15 -0.10 0.00 -0.01 0.00 0.00 56.01 57.00 1wfn n LEU 24 Cb 0.49 -1.34 -0.10 0.00 -0.11 0.00 0.00 43.42 42.36 1wfn n LEU 24 CO 0.42 -0.88 -0.24 -0.44 -1.51 0.00 0.00 177.39 174.75 1wfn s SER 25 N 0.05 0.11 -0.02 -1.43 0.01 -0.66 -5.03 113.70 106.73 1wfn s SER 25 Ca 0.68 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.62 1wfn s SER 25 Cb -0.72 0.17 0.01 0.00 0.21 0.00 0.00 66.02 65.69 1wfn s SER 25 CO 0.52 -0.36 -0.04 -0.36 0.41 0.00 0.00 173.24 173.41 1wfn s PHE 26 N -1.54 0.57 0.22 2.43 0.08 -1.26 -1.76 117.98 116.72 1wfn s PHE 26 Ca -0.14 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.79 1wfn s PHE 26 Cb -0.08 -0.48 -0.04 0.00 -0.57 0.00 0.00 43.02 41.85 1wfn s PHE 26 CO 0.00 -0.10 0.11 -1.12 -0.10 0.00 0.00 175.22 174.01 1wfn s SER 27 N 0.48 0.63 -1.40 1.36 0.01 -1.03 -4.88 113.70 108.87 1wfn s SER 27 Ca -0.06 -1.37 -0.15 0.00 1.31 0.00 0.00 55.95 55.69 1wfn s SER 27 Cb -0.09 0.27 0.02 0.00 0.21 0.00 0.00 66.02 66.43 1wfn s SER 27 CO -0.00 -0.78 0.27 -0.62 0.41 0.00 0.00 173.24 172.53 1wfn n GLU 28 N -0.34 -0.63 -2.92 12.44 1.02 -1.26 -2.18 120.64 126.77 1wfn n GLU 28 Ca 0.00 0.07 -0.34 0.00 -0.02 0.00 0.00 57.16 56.88 1wfn n GLU 28 Cb 0.66 -3.07 -0.07 0.00 -0.02 0.00 0.00 31.44 28.94 1wfn n GLU 28 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wfn s ILE 29 N -4.04 4.45 0.00 -3.67 1.01 -1.26 -4.09 121.20 113.61 1wfn s ILE 29 Ca 0.20 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.24 1wfn s ILE 29 Cb -0.11 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1wfn s ILE 29 CO 0.98 -0.15 0.00 0.18 0.00 0.00 0.00 174.94 175.95 1wfn n LEU 30 N -0.22 0.00 -0.04 2.97 4.77 0.17 -4.67 117.00 119.98 1wfn n LEU 30 Ca 0.04 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.03 1wfn n LEU 30 Cb 0.53 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.50 1wfn n LEU 30 CO 0.40 0.00 -0.82 -0.90 -1.33 0.00 0.00 177.39 174.74 1wfn n ASP 31 N 0.00 1.44 -1.04 -1.43 5.75 -1.25 0.22 116.55 120.23 1wfn n ASP 31 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 1wfn n ASP 31 Cb 0.00 1.30 -0.02 0.00 -1.03 0.00 0.00 41.12 41.36 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 -2.28 0.00 -3.64 2.12 -2.24 -1.26 -0.59 114.28 106.40 1wfn n THR 32 Ca -0.13 -0.32 -0.05 0.00 -2.27 0.00 0.00 64.05 61.28 1wfn n THR 32 Cb 0.68 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.18 -0.95 -0.02 3.42 1.04 -1.26 -1.51 113.70 113.23 1wfn s SER 33 Ca 0.11 1.47 -0.18 0.00 0.48 0.00 0.00 55.95 57.82 1wfn s SER 33 Cb 0.13 1.56 0.03 0.00 0.10 0.00 0.00 66.02 67.84 1wfn s SER 33 CO -0.05 -0.23 0.39 -1.48 0.98 0.00 0.00 173.24 172.85 1wfn s LEU 34 N 1.87 0.51 -0.02 2.42 0.05 -0.05 0.45 118.68 123.91 1wfn s LEU 34 Ca -0.09 0.22 -0.16 0.00 0.05 0.00 0.00 54.13 54.15 1wfn s LEU 34 Cb -0.06 1.56 -0.05 0.00 -2.05 0.00 0.00 46.19 45.58 1wfn s LEU 34 CO -0.19 -0.49 0.44 -0.75 -0.55 0.00 0.00 176.35 174.81 1wfn s LYS 35 N -1.34 4.07 -0.07 1.48 2.36 -0.93 0.14 119.74 125.45 1wfn s LYS 35 Ca -0.13 0.45 0.02 0.00 -2.55 0.00 0.00 55.97 53.77 1wfn s LYS 35 Cb -0.04 -3.28 -0.03 0.00 -1.05 0.00 0.00 37.83 33.43 1wfn s LYS 35 CO 0.05 0.54 -0.11 0.08 1.55 0.00 0.00 175.35 177.46 1wfn s VAL 36 N -0.61 3.30 0.03 4.02 1.01 0.48 -2.47 120.40 126.17 1wfn s VAL 36 Ca 0.25 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1wfn s VAL 36 Cb -0.17 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1wfn s VAL 36 CO 0.13 0.58 -0.04 -0.94 0.00 0.00 0.00 175.10 174.82 1wfn s SER 37 N -0.53 0.47 0.27 3.32 1.04 -0.72 0.11 113.70 117.66 1wfn s SER 37 Ca 0.07 -0.58 -0.06 0.00 0.48 0.00 0.00 55.95 55.87 1wfn s SER 37 Cb -0.12 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.12 1wfn s SER 37 CO 0.02 -0.31 0.45 -2.67 0.98 0.00 0.00 173.24 171.71 1wfn n TRP 38 N 1.36 -1.56 -4.48 5.02 2.14 0.22 -1.66 117.44 118.49 1wfn n TRP 38 Ca -0.22 -1.52 -0.24 0.00 2.07 0.00 0.00 57.50 57.58 1wfn n TRP 38 Cb 0.56 0.53 -0.07 0.00 -0.81 0.00 0.00 31.31 31.51 1wfn n TRP 38 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1wfn n GLN 39 N -0.40 0.59 -2.68 -2.67 1.13 -1.26 -4.72 117.38 107.36 1wfn n GLN 39 Ca -0.03 -3.32 -0.40 0.00 -1.94 0.00 0.00 57.00 51.31 1wfn n GLN 39 Cb 0.42 1.83 -0.06 0.00 0.11 0.00 0.00 30.24 32.55 1wfn n GLN 39 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1wfn s GLU 40 N -3.49 4.79 0.53 -1.09 2.02 -1.26 -0.09 118.70 120.11 1wfn s GLU 40 Ca 0.20 1.56 -0.18 0.00 0.02 0.00 0.00 54.97 56.57 1wfn s GLU 40 Cb 0.01 -3.23 -0.06 0.00 0.10 0.00 0.00 34.13 30.94 1wfn s GLU 40 CO 0.14 0.43 1.04 -1.25 0.02 0.00 0.00 175.26 175.65 1wfn s PRO 41 N -1.29 3.61 0.19 0.39 0.04 -1.26 -4.10 135.00 132.58 1wfn s PRO 41 Ca 0.42 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.76 1wfn s PRO 41 Cb -0.27 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.29 1wfn s PRO 41 CO 0.34 -0.58 1.45 0.78 0.04 0.00 0.00 177.00 179.03 1wfn h GLY 42 N 1.05 0.27 -3.76 0.56 0.00 -1.91 -3.21 103.07 96.07 1wfn h GLY 42 Ca -0.48 -0.41 -0.28 0.00 0.00 0.00 0.00 47.33 46.16 1wfn h GLY 42 CO 0.58 0.36 0.17 1.18 0.00 0.00 0.00 176.54 178.83 1wfn n GLU 43 N -3.76 1.84 -0.57 4.80 -0.58 -1.26 -4.59 120.64 116.52 1wfn n GLU 43 Ca -0.03 -1.34 0.45 0.00 -0.42 0.00 0.00 57.16 55.82 1wfn n GLU 43 Cb 0.73 -1.71 0.75 0.00 -0.57 0.00 0.00 31.44 30.64 1wfn n GLU 43 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1wfn h LYS 44 N 2.08 0.02 -4.24 3.49 1.57 -1.94 -3.25 116.57 114.30 1wfn h LYS 44 Ca 0.24 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1wfn h LYS 44 Cb 1.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1wfn h LYS 44 CO 0.53 0.02 -0.05 0.09 -0.57 0.00 0.00 179.45 179.47 1wfn n ASN 45 N -4.29 -1.34 0.00 0.86 3.02 -1.26 -3.97 115.26 108.28 1wfn n ASN 45 Ca 0.40 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 55.32 1wfn n ASN 45 Cb 1.72 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.60 3.04 7.41 0.00 -1.26 -4.92 105.19 109.61 1wfn n GLY 46 Ca -0.03 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 1wfn n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfn s ILE 47 N 0.00 0.78 0.12 -0.61 -1.09 -1.25 -5.14 121.20 114.01 1wfn s ILE 47 Ca 0.00 -0.45 -0.20 0.00 -2.23 0.00 0.00 60.65 57.77 1wfn s ILE 47 Cb 0.00 -0.66 -0.07 0.00 -1.58 0.00 0.00 42.46 40.15 1wfn s ILE 47 CO 0.00 0.20 0.63 -0.76 -1.23 0.00 0.00 174.94 173.78 1wfn s LEU 48 N -0.29 4.49 0.00 2.97 2.01 -1.26 -4.03 118.68 122.58 1wfn s LEU 48 Ca 0.03 1.33 0.12 0.00 0.01 0.00 0.00 54.13 55.63 1wfn s LEU 48 Cb -0.04 -3.12 0.13 0.00 0.01 0.00 0.00 46.19 43.17 1wfn s LEU 48 CO -0.00 0.21 0.94 0.35 1.01 0.00 0.00 176.35 178.85 1wfn n THR 49 N 1.43 0.15 -0.56 5.49 -2.24 0.61 -4.56 114.28 114.60 1wfn n THR 49 Ca -0.08 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1wfn n THR 49 Cb 0.51 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 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 0.67 -2.28 2.81 3.38 0.00 -1.13 -3.50 105.19 105.13 1wfn n GLY 50 Ca 0.08 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.15 -0.03 -0.21 1.61 2.02 0.64 0.14 117.35 119.38 1wfn s TYR 51 Ca 0.00 0.24 -0.17 0.00 -0.37 0.00 0.00 57.07 56.78 1wfn s TYR 51 Cb 0.00 -0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.31 1wfn s TYR 51 CO 0.00 -0.12 0.44 0.50 -1.57 0.00 0.00 175.55 174.80 1wfn s ARG 52 N 1.19 4.17 0.07 -0.62 3.52 0.19 -1.52 118.95 125.95 1wfn s ARG 52 Ca -0.08 0.27 0.07 0.00 -0.13 0.00 0.00 55.73 55.86 1wfn s ARG 52 Cb -0.13 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 1wfn s ARG 52 CO -0.04 -0.10 -0.15 -1.50 -0.81 0.00 0.00 175.30 172.70 1wfn s ILE 53 N 1.49 3.02 -0.22 4.11 2.07 -1.06 0.11 121.20 130.73 1wfn s ILE 53 Ca 0.21 -1.24 -0.06 0.00 -1.41 0.00 0.00 60.65 58.15 1wfn s ILE 53 Cb -0.15 -2.33 0.10 0.00 0.13 0.00 0.00 42.46 40.21 1wfn s ILE 53 CO 0.09 0.24 0.44 -0.94 -1.91 0.00 0.00 174.94 172.86 1wfn s SER 54 N -1.77 -0.31 -0.24 4.50 1.04 0.11 -1.76 113.70 115.27 1wfn s SER 54 Ca 0.17 0.94 -0.06 0.00 0.48 0.00 0.00 55.95 57.48 1wfn s SER 54 Cb -0.11 1.44 -0.02 0.00 0.10 0.00 0.00 66.02 67.43 1wfn s SER 54 CO 0.08 -0.24 0.02 -1.66 0.98 0.00 0.00 173.24 172.43 1wfn s TRP 55 N 2.64 3.03 0.01 5.02 -2.14 -1.26 0.16 118.94 126.40 1wfn s TRP 55 Ca 0.01 -0.64 0.01 0.00 2.66 0.00 0.00 56.10 58.13 1wfn s TRP 55 Cb -0.13 -2.19 -0.01 0.00 -3.10 0.00 0.00 33.47 28.05 1wfn s TRP 55 CO -0.14 -0.44 -0.02 -1.83 -2.66 0.00 0.00 176.95 171.86 1wfn s GLU 56 N 1.56 0.20 0.94 3.25 -1.05 -0.56 -3.42 118.70 119.62 1wfn s GLU 56 Ca 0.06 -0.23 -0.13 0.00 -0.15 0.00 0.00 54.97 54.53 1wfn s GLU 56 Cb -0.15 -0.09 0.12 0.00 -0.44 0.00 0.00 34.13 33.58 1wfn s GLU 56 CO 0.01 0.02 0.15 0.39 0.95 0.00 0.00 175.26 176.78 1wfn n GLU 57 N 2.62 -1.80 0.31 -4.83 -0.58 -1.24 0.42 120.64 115.53 1wfn n GLU 57 Ca -0.16 -0.53 -0.16 0.00 -0.42 0.00 0.00 57.16 55.89 1wfn n GLU 57 Cb 0.58 -1.39 -0.08 0.00 -0.57 0.00 0.00 31.44 29.97 1wfn n GLU 57 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1wfn h TYR 58 N -2.46 -1.18 -2.13 -0.32 3.20 -1.64 -3.35 116.97 109.08 1wfn h TYR 58 Ca -0.24 -0.00 -0.56 0.00 3.14 0.00 0.00 58.73 61.07 1wfn h TYR 58 Cb 0.73 0.44 -0.41 0.00 1.54 0.00 0.00 36.73 39.03 1wfn h TYR 58 CO -2.63 -0.60 -0.85 -1.71 -1.64 0.00 0.00 178.16 170.73 1wfn n ASN 59 N -5.08 2.52 -3.28 -2.11 2.85 -1.26 -4.93 115.26 103.97 1wfn n ASN 59 Ca -0.11 -3.25 -0.05 0.00 -0.11 0.00 0.00 54.58 51.06 1wfn n ASN 59 Cb 0.41 -0.62 -0.06 0.00 1.24 0.00 0.00 39.78 40.75 1wfn n ASN 59 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1wfn s ARG 60 N -2.44 0.42 0.00 1.20 0.52 -1.26 -4.99 118.95 112.41 1wfn s ARG 60 Ca 0.41 0.65 0.28 0.00 -0.52 0.00 0.00 55.73 56.56 1wfn s ARG 60 Cb 0.23 -0.14 1.13 0.00 0.52 0.00 0.00 34.95 36.69 1wfn s ARG 60 CO -0.08 -0.67 1.80 2.41 0.02 0.00 0.00 175.30 178.77 1wfn n THR 61 N 5.38 0.00 0.03 0.02 -1.04 -1.26 -3.60 114.28 113.81 1wfn n THR 61 Ca -0.02 -0.10 -0.16 0.00 -2.04 0.00 0.00 64.05 61.73 1wfn n THR 61 Cb 0.50 0.08 -0.06 0.00 -1.82 0.00 0.00 70.33 69.03 1wfn n THR 61 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1wfn h ASN 62 N 0.92 0.78 -0.49 8.00 2.35 -1.99 -3.15 115.58 121.99 1wfn h ASN 62 Ca 0.00 -0.56 -0.33 0.00 -0.55 0.00 0.00 56.30 54.86 1wfn h ASN 62 Cb 0.39 -0.23 -0.14 0.00 0.05 0.00 0.00 38.32 38.39 1wfn h ASN 62 CO 0.00 1.35 0.41 0.35 -1.65 0.00 0.00 177.43 177.89 1wfn n THR 63 N -3.86 2.80 -3.45 2.81 -2.24 -1.24 -4.91 114.28 104.19 1wfn n THR 63 Ca -0.08 -1.70 -0.36 0.00 -2.27 0.00 0.00 64.05 59.64 1wfn n THR 63 Cb 0.80 -1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 67.62 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 -1.80 3.93 0.21 -0.78 3.00 -1.19 -3.86 118.95 118.46 1wfn s ARG 64 Ca 0.32 0.41 0.08 0.00 -1.00 0.00 0.00 55.73 55.54 1wfn s ARG 64 Cb 0.25 -3.06 -0.05 0.00 0.00 0.00 0.00 34.95 32.09 1wfn s ARG 64 CO -0.01 0.57 -0.13 0.08 0.00 0.00 0.00 175.30 175.81 1wfn s VAL 65 N -1.31 1.72 -0.30 7.11 1.01 -1.22 -4.97 120.40 122.44 1wfn s VAL 65 Ca 0.32 -2.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.07 1wfn s VAL 65 Cb -0.16 -2.08 0.12 0.00 0.00 0.00 0.00 36.38 34.26 1wfn s VAL 65 CO 0.17 -0.57 0.21 -0.89 0.00 0.00 0.00 175.10 174.03 1wfn s THR 66 N -2.98 -0.21 0.27 3.92 2.01 -1.26 -4.25 115.64 113.14 1wfn s THR 66 Ca 0.23 -0.69 0.09 0.00 0.31 0.00 0.00 61.69 61.63 1wfn s THR 66 Cb -0.00 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1wfn s THR 66 CO 0.07 -0.62 0.05 -1.00 -0.69 0.00 0.00 174.62 172.43 1wfn s HIS 67 N 2.14 2.78 -0.08 4.92 3.76 -0.72 -5.00 115.29 123.10 1wfn s HIS 67 Ca 0.10 -0.21 -0.00 0.00 -0.15 0.00 0.00 55.06 54.79 1wfn s HIS 67 Cb -0.15 -1.28 0.02 0.00 1.11 0.00 0.00 32.58 32.28 1wfn s HIS 67 CO -0.32 0.57 -0.05 0.71 -0.85 0.00 0.00 174.74 174.80 1wfn s TYR 68 N -2.30 1.06 0.29 1.40 2.02 -1.26 -2.57 117.35 116.00 1wfn s TYR 68 Ca 0.32 -0.42 0.11 0.00 -0.37 0.00 0.00 57.07 56.71 1wfn s TYR 68 Cb -0.06 -0.96 -0.05 0.00 -0.40 0.00 0.00 41.96 40.48 1wfn s TYR 68 CO 0.21 -0.36 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.19 1wfn s LEU 69 N 1.53 2.75 1.00 -1.29 1.43 -0.57 -4.95 118.68 118.58 1wfn s LEU 69 Ca -0.00 -0.99 -0.15 0.00 -1.03 0.00 0.00 54.13 51.96 1wfn s LEU 69 Cb -0.13 -1.21 0.20 0.00 0.03 0.00 0.00 46.19 45.07 1wfn s LEU 69 CO -0.04 -0.03 1.18 -2.16 0.23 0.00 0.00 176.35 175.53 1wfn s PRO 70 N -3.57 0.36 -0.04 1.29 0.04 -1.26 -0.26 135.00 131.56 1wfn s PRO 70 Ca 0.31 -0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.37 1wfn s PRO 70 Cb -0.04 -1.78 0.16 0.00 0.04 0.00 0.00 34.50 32.88 1wfn s PRO 70 CO 0.16 -2.67 0.81 0.27 0.04 0.00 0.00 177.00 175.61 1wfn n ASN 71 N -4.04 1.73 -0.00 6.66 6.94 -1.23 -2.81 115.26 122.52 1wfn n ASN 71 Ca 0.11 -2.15 0.03 0.00 -0.02 0.00 0.00 54.58 52.55 1wfn n ASN 71 Cb 0.59 -0.46 -0.05 0.00 -2.36 0.00 0.00 39.78 37.50 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 0.09 0.01 -4.21 3.53 0.24 -1.26 -4.90 118.33 111.83 1wfn n VAL 72 Ca 0.05 -0.16 -0.32 0.00 -2.04 0.00 0.00 64.34 61.87 1wfn n VAL 72 Cb 0.38 0.32 -0.08 0.00 -1.47 0.00 0.00 33.84 32.99 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 -2.48 4.30 -0.00 3.34 2.01 -1.12 -4.98 115.64 116.70 1wfn s THR 73 Ca -0.03 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1wfn s THR 73 Cb 0.04 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.61 1wfn s THR 73 CO 0.29 0.32 0.65 0.18 -0.69 0.00 0.00 174.62 175.37 1wfn n LEU 74 N 1.18 0.24 -3.92 4.42 4.77 -1.26 -4.71 117.00 117.72 1wfn n LEU 74 Ca -0.13 -0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 55.31 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 0.36 0.11 -0.24 -1.83 -1.33 0.00 0.00 177.39 174.46 1wfn s GLU 75 N -0.16 0.45 0.03 3.23 1.03 -1.26 0.73 118.70 122.75 1wfn s GLU 75 Ca 0.01 -0.54 -0.24 0.00 0.03 0.00 0.00 54.97 54.23 1wfn s GLU 75 Cb 0.01 0.18 0.06 0.00 -0.80 0.00 0.00 34.13 33.57 1wfn s GLU 75 CO 0.00 -0.10 0.56 -0.47 -1.33 0.00 0.00 175.26 173.92 1wfn s TYR 76 N -1.64 -0.48 -0.21 4.83 5.04 0.31 -4.96 117.35 120.24 1wfn s TYR 76 Ca -0.13 0.60 -0.17 0.00 -2.44 0.00 0.00 57.07 54.92 1wfn s TYR 76 Cb -0.07 0.37 -0.03 0.00 0.35 0.00 0.00 41.96 42.57 1wfn s TYR 76 CO -0.00 -0.64 0.47 0.50 -1.34 0.00 0.00 175.55 174.53 1wfn s ARG 77 N -2.23 4.17 -0.05 4.97 3.52 -1.26 0.18 118.95 128.25 1wfn s ARG 77 Ca -0.06 0.31 -0.10 0.00 -0.13 0.00 0.00 55.73 55.75 1wfn s ARG 77 Cb -0.01 -3.56 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 1wfn s ARG 77 CO 0.00 -0.12 0.27 0.08 -0.81 0.00 0.00 175.30 174.72 1wfn s VAL 78 N 1.57 5.28 -0.08 7.11 1.01 0.36 -4.95 120.40 130.70 1wfn s VAL 78 Ca 0.22 0.46 -0.15 0.00 0.00 0.00 0.00 61.98 62.50 1wfn s VAL 78 Cb -0.15 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1wfn s VAL 78 CO 0.09 0.56 0.37 0.42 0.00 0.00 0.00 175.10 176.54 1wfn s THR 79 N -1.10 0.03 0.00 3.92 -4.23 -1.26 -0.87 115.64 112.12 1wfn s THR 79 Ca 0.21 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1wfn s THR 79 Cb -0.14 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.10 1wfn s THR 79 CO 0.10 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1wfn n GLY 80 N 2.02 1.44 0.00 3.99 0.00 -0.57 -5.00 105.19 107.06 1wfn n GLY 80 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1wfn n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wfn n LEU 81 N 0.00 0.00 -4.07 0.99 4.77 -1.15 -5.07 117.00 112.47 1wfn n LEU 81 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 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 -0.43 -0.89 -1.33 0.00 0.00 177.39 174.74 1wfn s THR 82 N 0.74 0.73 0.38 -5.08 2.01 -1.24 -4.75 115.64 108.42 1wfn s THR 82 Ca 0.00 -0.85 -0.27 0.00 0.31 0.00 0.00 61.69 60.88 1wfn s THR 82 Cb 0.00 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.71 1wfn s THR 82 CO 0.00 -0.12 1.33 0.00 -0.69 0.00 0.00 174.62 175.14 1wfn s ALA 83 N -0.89 3.37 -1.14 7.40 0.00 0.25 -3.19 121.76 127.57 1wfn s ALA 83 Ca -0.03 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 1wfn s ALA 83 Cb -0.07 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.59 1wfn s ALA 83 CO 0.01 -0.79 0.66 1.28 0.00 0.00 0.00 175.76 176.91 1wfn n LEU 84 N 0.39 -0.40 -3.96 0.00 4.77 -1.26 -4.94 117.00 111.59 1wfn n LEU 84 Ca 0.02 -1.25 -0.09 0.00 -0.03 0.00 0.00 56.01 54.66 1wfn n LEU 84 Cb 0.42 -1.57 -0.11 0.00 -2.33 0.00 0.00 43.42 39.83 1wfn n LEU 84 CO 0.58 0.75 -0.36 -0.89 -1.33 0.00 0.00 177.39 176.14 1wfn s THR 85 N -3.44 0.09 -0.09 -5.08 2.01 -1.19 -4.91 115.64 103.03 1wfn s THR 85 Ca 0.40 -0.78 -0.25 0.00 0.31 0.00 0.00 61.69 61.37 1wfn s THR 85 Cb -0.23 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 1wfn s THR 85 CO 0.96 -0.43 0.80 -0.89 -0.69 0.00 0.00 174.62 174.37 1wfn s THR 86 N -1.25 4.96 0.01 -0.82 2.01 -1.26 0.08 115.64 119.36 1wfn s THR 86 Ca -0.14 1.63 0.03 0.00 0.31 0.00 0.00 61.69 63.52 1wfn s THR 86 Cb -0.09 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 1wfn s THR 86 CO -0.01 0.16 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.69 1wfn s TYR 87 N 1.28 0.77 -0.27 4.92 1.51 0.38 -1.62 117.35 124.32 1wfn s TYR 87 Ca 0.41 -0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 56.25 1wfn s TYR 87 Cb -0.18 -0.49 0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1wfn s TYR 87 CO 0.18 -0.01 -0.04 0.99 -1.11 0.00 0.00 175.55 175.55 1wfn s THR 88 N -0.43 2.78 -0.25 -0.71 2.01 0.17 0.20 115.64 119.40 1wfn s THR 88 Ca 0.01 -1.31 -0.18 0.00 0.31 0.00 0.00 61.69 60.52 1wfn s THR 88 Cb -0.05 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1wfn s THR 88 CO 0.00 0.01 0.52 -0.63 -0.69 0.00 0.00 174.62 173.83 1wfn s ILE 89 N 1.25 5.07 -0.29 1.82 -1.09 -0.81 -1.49 121.20 125.66 1wfn s ILE 89 Ca -0.04 0.90 -0.09 0.00 -2.23 0.00 0.00 60.65 59.18 1wfn s ILE 89 Cb -0.19 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.84 1wfn s ILE 89 CO -0.03 0.09 0.14 -1.61 -1.23 0.00 0.00 174.94 172.30 1wfn s GLU 90 N 2.25 3.56 -0.23 2.79 2.02 0.43 -1.76 118.70 127.76 1wfn s GLU 90 Ca 0.22 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.60 1wfn s GLU 90 Cb -0.16 -3.52 -0.01 0.00 0.10 0.00 0.00 34.13 30.55 1wfn s GLU 90 CO 0.09 -0.30 -0.03 0.08 0.02 0.00 0.00 175.26 175.12 1wfn s VAL 91 N 1.65 3.41 0.23 2.63 1.01 0.04 0.04 120.40 129.40 1wfn s VAL 91 Ca 0.06 -0.51 0.11 0.00 0.00 0.00 0.00 61.98 61.64 1wfn s VAL 91 Cb -0.16 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1wfn s VAL 91 CO 0.06 0.40 -0.21 0.00 0.00 0.00 0.00 175.10 175.35 1wfn s ALA 92 N 1.48 2.56 0.43 5.51 0.00 0.31 0.12 121.76 132.17 1wfn s ALA 92 Ca 0.05 -1.73 0.05 0.00 0.00 0.00 0.00 51.96 50.33 1wfn s ALA 92 Cb -0.14 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1wfn s ALA 92 CO -0.03 0.34 0.60 0.00 0.00 0.00 0.00 175.76 176.66 1wfn s ALA 93 N -2.11 4.22 -0.03 0.00 0.00 -1.25 0.56 121.76 123.15 1wfn s ALA 93 Ca 0.24 -1.46 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 1wfn s ALA 93 Cb -0.06 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.28 1wfn s ALA 93 CO 0.12 -0.32 0.05 -1.64 0.00 0.00 0.00 175.76 173.97 1wfn s MET 94 N -4.41 0.01 0.00 0.00 -1.94 0.12 -2.70 119.30 110.37 1wfn s MET 94 Ca 0.52 0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.68 1wfn s MET 94 Cb -0.10 -0.16 0.00 0.00 2.01 0.00 0.00 34.83 36.58 1wfn s MET 94 CO 0.34 -0.12 0.00 0.25 -0.01 0.00 0.00 175.02 175.48 1wfn n THR 95 N 3.86 0.00 1.95 2.05 -2.24 0.15 0.23 114.28 120.26 1wfn n THR 95 Ca -0.23 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.63 1wfn n THR 95 Cb 0.53 -0.02 0.45 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.72 0.11 -0.04 3.42 3.41 -1.26 -3.27 113.62 115.28 1wfn n SER 96 Ca 0.00 -1.54 -0.05 0.00 -0.26 0.00 0.00 58.87 57.02 1wfn n SER 96 Cb 0.00 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 1wfn n SER 96 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1wfn n LYS 97 N -0.67 0.40 -1.30 4.33 3.00 -1.26 -5.14 118.16 117.52 1wfn n LYS 97 Ca 0.12 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1wfn n LYS 97 Cb 0.07 -1.16 0.00 0.00 0.00 0.00 0.00 35.03 33.94 1wfn n LYS 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wfn n GLY 98 N 3.09 -0.50 3.89 3.14 0.00 -1.20 -5.06 105.19 108.54 1wfn n GLY 98 Ca -0.14 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.89 3.40 0.00 1.61 0.74 -1.26 0.29 119.66 122.54 1wfn s GLN 99 Ca 0.00 -0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.08 1wfn s GLN 99 Cb 0.00 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 31.03 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 1.04 3.05 3.00 2.59 0.00 -1.10 -4.81 105.19 108.97 1wfn n GLY 100 Ca -0.12 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.18 -3.79 1.61 7.27 -0.77 -4.67 117.38 114.86 1wfn n GLN 101 Ca 0.00 -0.65 -0.13 0.00 0.07 0.00 0.00 57.00 56.30 1wfn n GLN 101 Cb 0.00 -1.44 -0.11 0.00 2.41 0.00 0.00 30.24 31.10 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 -2.07 0.01 -0.44 1.69 0.11 -1.26 -3.87 120.40 114.58 1wfn s VAL 102 Ca 0.34 -0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 59.19 1wfn s VAL 102 Cb -0.06 -0.41 0.10 0.00 -1.53 0.00 0.00 36.38 34.48 1wfn s VAL 102 CO 0.31 -0.06 0.29 -0.44 -3.33 0.00 0.00 175.10 171.87 1wfn s SER 103 N -0.16 5.63 -0.29 3.54 0.01 0.12 -4.87 113.70 117.69 1wfn s SER 103 Ca -0.03 -1.68 -0.09 0.00 1.31 0.00 0.00 55.95 55.45 1wfn s SER 103 Cb -0.03 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.19 1wfn s SER 103 CO 0.01 -0.59 0.14 0.00 0.41 0.00 0.00 173.24 173.21 1wfn s ALA 104 N 1.38 3.32 -0.09 1.44 0.00 -1.25 -0.78 121.76 125.78 1wfn s ALA 104 Ca 0.04 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.82 1wfn s ALA 104 Cb -0.24 -2.33 -0.00 0.00 0.00 0.00 0.00 23.12 20.55 1wfn s ALA 104 CO 0.01 -0.68 -0.24 -1.12 0.00 0.00 0.00 175.76 173.73 1wfn s SER 105 N 1.66 3.12 0.11 0.00 0.01 -0.72 -4.92 113.70 112.96 1wfn s SER 105 Ca 0.06 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1wfn s SER 105 Cb -0.16 -1.32 -0.06 0.00 0.21 0.00 0.00 66.02 64.68 1wfn s SER 105 CO 0.07 0.17 1.07 -0.89 0.41 0.00 0.00 173.24 174.07 1wfn s THR 106 N 0.26 4.20 -0.09 1.44 2.01 -1.26 -1.92 115.64 120.27 1wfn s THR 106 Ca -0.16 1.76 -0.05 0.00 0.31 0.00 0.00 61.69 63.55 1wfn s THR 106 Cb -0.17 -4.12 0.04 0.00 0.01 0.00 0.00 72.50 68.26 1wfn s THR 106 CO 0.08 0.24 0.22 -0.51 -0.69 0.00 0.00 174.62 173.96 1wfn s ILE 107 N 0.25 -0.04 -0.28 1.82 1.10 0.53 -4.96 121.20 119.62 1wfn s ILE 107 Ca 0.51 0.14 -0.11 0.00 -0.51 0.00 0.00 60.65 60.68 1wfn s ILE 107 Cb -0.27 -0.34 -0.05 0.00 0.15 0.00 0.00 42.46 41.95 1wfn s ILE 107 CO 0.32 0.06 0.19 -0.55 -2.11 0.00 0.00 174.94 172.85 1wfn s SER 108 N 1.15 6.01 0.32 4.50 0.15 -1.26 0.14 113.70 124.71 1wfn s SER 108 Ca -0.08 -0.04 -0.21 0.00 0.70 0.00 0.00 55.95 56.32 1wfn s SER 108 Cb -0.10 -2.12 -0.14 0.00 -1.71 0.00 0.00 66.02 61.95 1wfn s SER 108 CO -0.07 -0.06 0.18 -1.54 1.20 0.00 0.00 173.24 172.94 1wfn n SER 109 N 5.06 -2.23 0.00 5.45 3.41 0.11 -4.83 113.62 120.59 1wfn n SER 109 Ca -0.14 0.81 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1wfn n SER 109 Cb 0.52 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 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 2.04 -2.11 3.64 5.00 0.00 0.59 -4.19 105.19 110.16 1wfn n GLY 110 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.13 0.00 -0.03 1.61 0.11 -0.79 -4.50 120.40 116.67 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 -0.30 4.36 0.96 1.54 0.04 -1.26 -3.86 135.00 136.48 1wfn s PRO 112 Ca 0.07 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.68 1wfn s PRO 112 Cb -0.04 -3.52 0.17 0.00 0.04 0.00 0.00 34.50 31.15 1wfn s PRO 112 CO -0.12 -0.42 1.16 -1.25 0.04 0.00 0.00 177.00 176.41 1wfn s PRO 113 N 2.03 0.75 -0.30 0.56 0.04 -1.26 -5.04 135.00 131.78 1wfn s PRO 113 Ca 0.57 0.14 -0.13 0.00 0.04 0.00 0.00 61.00 61.62 1wfn s PRO 113 Cb -0.26 -1.81 0.17 0.00 0.04 0.00 0.00 34.50 32.65 1wfn s PRO 113 CO 0.23 -2.43 0.97 0.45 0.04 0.00 0.00 177.00 176.27 1wfn s SER 114 N -4.13 -0.62 0.30 6.66 0.15 -1.26 -5.15 113.70 109.65 1wfn s SER 114 Ca 0.66 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1wfn s SER 114 Cb -0.13 1.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.80 1wfn s SER 114 CO 0.54 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.47 1wfn n GLY 115 N 5.19 -1.64 3.57 9.45 0.00 -1.26 -4.13 105.19 116.37 1wfn n GLY 115 Ca -0.07 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.46 3.18 0.65 1.61 0.04 -1.26 -4.95 135.00 131.81 1wfn s PRO 116 Ca 0.00 -1.21 -0.08 0.00 0.04 0.00 0.00 61.00 59.76 1wfn s PRO 116 Cb 0.00 -5.32 0.03 0.00 0.04 0.00 0.00 34.50 29.25 1wfn s PRO 116 CO 0.00 -2.96 0.98 -1.54 0.04 0.00 0.00 177.00 173.52 1wfn s SER 117 N 5.83 5.33 -0.88 6.66 1.04 -1.26 -5.03 113.70 125.39 1wfn s SER 117 Ca 0.60 0.75 -0.02 0.00 0.48 0.00 0.00 55.95 57.76 1wfn s SER 117 Cb -0.00 -1.60 0.22 0.00 0.10 0.00 0.00 66.02 64.74 1wfn s SER 117 CO 0.03 -1.29 0.76 -0.44 0.98 0.00 0.00 173.24 173.29 1wfn s SER 118 N -4.38 5.94 0.00 7.02 0.01 -1.26 -5.15 113.70 115.88 1wfn s SER 118 Ca 0.57 -3.69 0.10 0.00 1.31 0.00 0.00 55.95 54.23 1wfn s SER 118 Cb -0.11 -1.90 0.08 0.00 0.21 0.00 0.00 66.02 64.30 1wfn s SER 118 CO 0.47 -0.19 0.80 0.61 0.41 0.00 0.00 173.24 175.34