#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 -0.62 -0.21 1.61 0.15 -1.26 -5.10 113.70 108.26 1wfn s SER 2 Ca 0.00 0.77 -0.15 0.00 0.70 0.00 0.00 55.95 57.27 1wfn s SER 2 Cb 0.00 0.64 0.06 0.00 -1.71 0.00 0.00 66.02 65.01 1wfn s SER 2 CO 0.00 -0.51 0.54 -0.44 1.20 0.00 0.00 173.24 174.03 1wfn s SER 3 N -0.92 -0.66 0.14 5.45 0.01 -1.26 -5.16 113.70 111.30 1wfn s SER 3 Ca -0.08 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1wfn s SER 3 Cb -0.01 1.07 0.00 0.00 0.21 0.00 0.00 66.02 67.29 1wfn s SER 3 CO 0.07 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1wfn n GLY 4 N 3.75 0.81 3.37 3.44 0.00 -1.26 -5.10 105.19 110.20 1wfn n GLY 4 Ca -0.19 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 1wfn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfn s SER 5 N -1.00 -0.60 0.07 1.61 0.01 -1.26 -5.16 113.70 107.37 1wfn s SER 5 Ca 0.00 1.04 0.04 0.00 1.31 0.00 0.00 55.95 58.34 1wfn s SER 5 Cb 0.00 0.95 -0.04 0.00 0.21 0.00 0.00 66.02 67.14 1wfn s SER 5 CO 0.00 -0.20 -0.00 -0.55 0.41 0.00 0.00 173.24 172.90 1wfn s SER 6 N 1.19 5.02 0.44 2.44 0.15 -1.26 -5.13 113.70 116.55 1wfn s SER 6 Ca -0.07 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.49 1wfn s SER 6 Cb -0.07 -1.22 0.07 0.00 -1.71 0.00 0.00 66.02 63.10 1wfn s SER 6 CO -0.11 0.20 0.58 0.61 1.20 0.00 0.00 173.24 175.72 1wfn n GLY 7 N 0.77 1.76 2.91 9.45 0.00 -1.26 -4.97 105.19 113.86 1wfn n GLY 7 Ca -0.12 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 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 -1.94 2.15 -3.67 1.61 -0.04 -1.26 -4.77 135.00 127.08 1wfn n PRO 8 Ca 0.11 -2.19 -0.09 0.00 -0.04 0.00 0.00 63.50 61.30 1wfn n PRO 8 Cb 0.42 -3.08 -0.09 0.00 -0.04 0.00 0.00 33.50 30.71 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 4.12 0.54 -0.00 0.54 0.74 -1.26 -5.16 119.66 119.17 1wfn s GLN 9 Ca 0.53 1.01 0.06 0.00 0.05 0.00 0.00 55.36 57.01 1wfn s GLN 9 Cb 0.14 0.08 -0.02 0.00 1.10 0.00 0.00 33.01 34.32 1wfn s GLN 9 CO 0.02 -0.16 -0.20 -1.17 -0.55 0.00 0.00 175.29 173.23 1wfn s LEU 10 N 1.58 2.07 0.04 3.68 2.96 -1.26 -5.13 118.68 122.61 1wfn s LEU 10 Ca -0.09 -0.40 -0.27 0.00 -0.22 0.00 0.00 54.13 53.15 1wfn s LEU 10 Cb -0.07 -1.03 0.09 0.00 0.50 0.00 0.00 46.19 45.68 1wfn s LEU 10 CO -0.16 0.23 0.78 0.54 -1.32 0.00 0.00 176.35 176.42 1wfn s VAL 11 N -0.54 0.00 0.00 1.68 0.11 -1.26 -5.18 120.40 115.21 1wfn s VAL 11 Ca 0.08 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.88 1wfn s VAL 11 Cb -0.08 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.83 1wfn s VAL 11 CO -0.00 0.00 0.56 0.00 -3.33 0.00 0.00 175.10 172.33 1wfn s ARG 12 N -3.05 1.00 0.09 1.54 1.70 -1.26 -5.18 118.95 113.79 1wfn s ARG 12 Ca 0.02 -0.03 -0.07 0.00 -0.47 0.00 0.00 55.73 55.18 1wfn s ARG 12 Cb -0.01 0.46 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 1wfn s ARG 12 CO -0.08 -0.34 0.34 -2.37 -1.08 0.00 0.00 175.30 171.77 1wfn n THR 13 N 0.71 0.00 -4.69 4.99 5.66 -1.26 -5.16 114.28 114.53 1wfn n THR 13 Ca -0.19 -0.24 -0.33 0.00 -3.05 0.00 0.00 64.05 60.24 1wfn n THR 13 Cb 0.58 0.29 -0.14 0.00 -1.55 0.00 0.00 70.33 69.52 1wfn n THR 13 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1wfn s HIS 14 N -5.20 2.86 0.20 1.09 3.76 -1.26 -5.11 115.29 111.62 1wfn s HIS 14 Ca 0.07 -0.53 0.05 0.00 -0.15 0.00 0.00 55.06 54.50 1wfn s HIS 14 Cb -0.01 -1.86 -0.05 0.00 1.11 0.00 0.00 32.58 31.77 1wfn s HIS 14 CO 0.03 -0.14 -0.08 -1.21 -0.85 0.00 0.00 174.74 172.48 1wfn s GLU 15 N 0.28 1.24 -0.17 1.40 8.01 -1.26 -5.08 118.70 123.13 1wfn s GLU 15 Ca -0.08 -1.58 -0.14 0.00 0.01 0.00 0.00 54.97 53.18 1wfn s GLU 15 Cb -0.15 -0.78 -0.07 0.00 -4.31 0.00 0.00 34.13 28.82 1wfn s GLU 15 CO 0.05 0.05 -0.30 -3.47 0.01 0.00 0.00 175.26 171.60 1wfn n ASP 16 N -0.34 1.77 -4.10 -0.19 -0.08 -1.26 -5.01 116.55 107.34 1wfn n ASP 16 Ca -0.08 0.30 -0.36 0.00 -1.51 0.00 0.00 54.79 53.14 1wfn n ASP 16 Cb 0.62 -0.69 0.07 0.00 2.34 0.00 0.00 41.12 43.46 1wfn n ASP 16 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1wfn n VAL 17 N -4.24 0.00 -1.51 5.18 0.24 -1.26 -4.73 118.33 112.01 1wfn n VAL 17 Ca -0.23 -0.22 -0.30 0.00 -2.04 0.00 0.00 64.34 61.55 1wfn n VAL 17 Cb 0.57 -0.18 0.21 0.00 -1.47 0.00 0.00 33.84 32.97 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 -2.46 -0.31 0.00 7.34 0.04 -1.26 -4.84 135.00 133.51 1wfn s PRO 18 Ca 0.43 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1wfn s PRO 18 Cb -0.05 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1wfn s PRO 18 CO 0.71 -3.08 0.00 0.41 0.04 0.00 0.00 177.00 175.09 1wfn n GLY 19 N -2.38 1.74 3.71 0.56 0.00 -1.23 -1.65 105.19 105.94 1wfn n GLY 19 Ca 0.14 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 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 3.34 4.43 0.25 1.61 0.04 -1.26 -3.51 135.00 139.89 1wfn s PRO 20 Ca 0.00 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.72 1wfn s PRO 20 Cb 0.00 -3.40 0.06 0.00 0.04 0.00 0.00 34.50 31.20 1wfn s PRO 20 CO 0.00 -0.27 0.13 1.33 0.04 0.00 0.00 177.00 178.23 1wfn n VAL 21 N 4.04 0.00 0.00 -0.36 0.24 -1.26 -4.46 118.33 116.53 1wfn n VAL 21 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1wfn n VAL 21 Cb 0.47 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 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 -0.69 -2.98 3.59 7.63 0.00 0.14 -4.70 105.19 108.17 1wfn n GLY 22 Ca 0.02 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 3.23 0.42 1.61 -3.43 -1.26 -4.60 115.29 111.25 1wfn s HIS 23 Ca 0.00 0.48 -0.23 0.00 -0.80 0.00 0.00 55.06 54.50 1wfn s HIS 23 Cb 0.00 -2.84 -0.12 0.00 -1.43 0.00 0.00 32.58 28.19 1wfn s HIS 23 CO 0.00 -0.40 0.72 1.28 -2.00 0.00 0.00 174.74 174.33 1wfn n LEU 24 N 5.68 0.95 -3.94 5.38 7.99 -1.26 -4.51 117.00 127.28 1wfn n LEU 24 Ca -0.04 0.96 -0.09 0.00 -0.01 0.00 0.00 56.01 56.83 1wfn n LEU 24 Cb 0.49 -1.20 -0.10 0.00 -0.11 0.00 0.00 43.42 42.51 1wfn n LEU 24 CO 0.43 -2.38 -0.24 -0.44 -1.51 0.00 0.00 177.39 173.25 1wfn s SER 25 N -0.89 0.19 0.00 -1.43 0.01 0.10 -4.96 113.70 106.74 1wfn s SER 25 Ca 0.64 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1wfn s SER 25 Cb -0.59 0.20 -0.00 0.00 0.21 0.00 0.00 66.02 65.83 1wfn s SER 25 CO 0.57 -0.46 -0.01 -0.36 0.41 0.00 0.00 173.24 173.39 1wfn s PHE 26 N -2.35 0.08 0.15 2.43 0.08 -1.26 -1.37 117.98 115.74 1wfn s PHE 26 Ca -0.07 -0.10 -0.15 0.00 0.12 0.00 0.00 56.93 56.73 1wfn s PHE 26 Cb -0.03 -0.06 0.02 0.00 -0.57 0.00 0.00 43.02 42.39 1wfn s PHE 26 CO -0.04 -0.03 0.40 -1.12 -0.10 0.00 0.00 175.22 174.33 1wfn s SER 27 N -0.27 -0.17 -1.32 1.36 0.01 -0.95 -4.95 113.70 107.41 1wfn s SER 27 Ca -0.03 -0.48 -0.09 0.00 1.31 0.00 0.00 55.95 56.66 1wfn s SER 27 Cb -0.02 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1wfn s SER 27 CO -0.00 -0.91 0.52 -0.62 0.41 0.00 0.00 173.24 172.64 1wfn n GLU 28 N -0.24 -2.31 -2.99 12.44 1.02 -1.26 -1.45 120.64 125.84 1wfn n GLU 28 Ca -0.13 0.37 -0.40 0.00 -0.02 0.00 0.00 57.16 56.98 1wfn n GLU 28 Cb 0.63 -4.17 -0.05 0.00 -0.02 0.00 0.00 31.44 27.82 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 -3.81 4.61 0.00 -3.67 1.01 -1.26 -4.15 121.20 113.92 1wfn s ILE 29 Ca 0.17 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.46 1wfn s ILE 29 Cb -0.07 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1wfn s ILE 29 CO 0.90 0.42 0.00 0.18 0.00 0.00 0.00 174.94 176.44 1wfn n LEU 30 N 2.36 0.00 -0.04 2.97 7.99 0.22 -4.62 117.00 125.88 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 0.50 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.74 1wfn n LEU 30 CO 0.47 0.00 -0.76 -0.90 -1.51 0.00 0.00 177.39 174.68 1wfn n ASP 31 N 0.00 3.04 -0.51 -1.43 5.75 -1.25 0.19 116.55 122.35 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 0.64 -0.00 0.00 -1.03 0.00 0.00 41.12 40.73 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 -2.33 0.00 -3.76 2.12 -2.24 -1.26 -2.08 114.28 104.73 1wfn n THR 32 Ca -0.13 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 1wfn n THR 32 Cb 0.76 0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.77 -0.28 -0.08 3.42 1.04 -1.26 -1.84 113.70 113.94 1wfn s SER 33 Ca 0.00 0.53 -0.28 0.00 0.48 0.00 0.00 55.95 56.68 1wfn s SER 33 Cb 0.00 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1wfn s SER 33 CO -0.00 -0.12 0.64 -1.48 0.98 0.00 0.00 173.24 173.26 1wfn s LEU 34 N 0.60 -0.49 -0.00 2.42 0.05 -0.74 0.70 118.68 121.23 1wfn s LEU 34 Ca -0.04 0.75 -0.16 0.00 0.05 0.00 0.00 54.13 54.73 1wfn s LEU 34 Cb -0.05 2.38 -0.06 0.00 -2.05 0.00 0.00 46.19 46.41 1wfn s LEU 34 CO -0.03 -0.54 0.46 -0.75 -0.55 0.00 0.00 176.35 174.93 1wfn s LYS 35 N -0.98 4.05 -0.05 1.48 2.36 -0.53 0.42 119.74 126.49 1wfn s LYS 35 Ca -0.10 0.49 0.04 0.00 -2.55 0.00 0.00 55.97 53.85 1wfn s LYS 35 Cb -0.01 -3.26 -0.02 0.00 -1.05 0.00 0.00 37.83 33.49 1wfn s LYS 35 CO 0.08 0.60 -0.15 0.08 1.55 0.00 0.00 175.35 177.51 1wfn s VAL 36 N -0.83 2.98 0.02 4.02 1.01 0.43 -2.25 120.40 125.79 1wfn s VAL 36 Ca 0.25 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1wfn s VAL 36 Cb -0.17 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1wfn s VAL 36 CO 0.14 0.59 -0.04 -0.94 0.00 0.00 0.00 175.10 174.85 1wfn s SER 37 N -0.66 0.36 0.35 3.32 1.04 -0.47 0.83 113.70 118.46 1wfn s SER 37 Ca 0.10 -0.50 -0.06 0.00 0.48 0.00 0.00 55.95 55.96 1wfn s SER 37 Cb -0.11 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.12 1wfn s SER 37 CO 0.01 -0.28 0.57 -2.67 0.98 0.00 0.00 173.24 171.85 1wfn n TRP 38 N 1.59 -1.74 -4.51 5.02 2.14 0.24 0.02 117.44 120.20 1wfn n TRP 38 Ca -0.24 -2.09 -0.25 0.00 2.07 0.00 0.00 57.50 56.99 1wfn n TRP 38 Cb 0.55 0.66 -0.07 0.00 -0.81 0.00 0.00 31.31 31.64 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 -0.54 0.63 -2.67 -2.67 1.13 -1.26 -4.72 117.38 107.28 1wfn n GLN 39 Ca -0.03 -3.33 -0.40 0.00 -1.94 0.00 0.00 57.00 51.30 1wfn n GLN 39 Cb 0.57 1.67 -0.05 0.00 0.11 0.00 0.00 30.24 32.53 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 -3.52 4.76 0.55 -1.09 2.02 -1.26 0.23 118.70 120.38 1wfn s GLU 40 Ca 0.17 1.57 -0.17 0.00 0.02 0.00 0.00 54.97 56.56 1wfn s GLU 40 Cb 0.01 -3.20 -0.06 0.00 0.10 0.00 0.00 34.13 30.98 1wfn s GLU 40 CO 0.12 0.40 1.04 -1.25 0.02 0.00 0.00 175.26 175.59 1wfn s PRO 41 N -1.35 3.54 0.18 0.39 0.04 -1.26 -4.07 135.00 132.48 1wfn s PRO 41 Ca 0.43 1.24 0.05 0.00 0.04 0.00 0.00 61.00 62.76 1wfn s PRO 41 Cb -0.27 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.25 1wfn s PRO 41 CO 0.34 -0.63 1.42 0.78 0.04 0.00 0.00 177.00 178.95 1wfn h GLY 42 N 0.87 0.13 -3.57 0.56 0.00 -1.91 -3.21 103.07 95.94 1wfn h GLY 42 Ca -0.48 -0.23 -0.28 0.00 0.00 0.00 0.00 47.33 46.34 1wfn h GLY 42 CO 0.58 0.20 0.29 1.18 0.00 0.00 0.00 176.54 178.79 1wfn n GLU 43 N -3.64 1.75 -0.55 4.80 -0.58 -1.26 -4.60 120.64 116.56 1wfn n GLU 43 Ca -0.02 -1.35 0.44 0.00 -0.42 0.00 0.00 57.16 55.81 1wfn n GLU 43 Cb 0.78 -1.60 0.72 0.00 -0.57 0.00 0.00 31.44 30.77 1wfn n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1wfn n LYS 44 N 0.77 -0.02 -2.22 3.49 5.02 -1.22 -3.51 118.16 120.47 1wfn n LYS 44 Ca 0.28 1.17 -0.02 0.00 -2.02 0.00 0.00 58.31 57.72 1wfn n LYS 44 Cb 0.58 -2.44 -0.00 0.00 -0.02 0.00 0.00 35.03 33.15 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 -4.39 -1.38 0.00 4.39 3.02 -1.26 -4.05 115.26 111.59 1wfn n ASN 45 Ca 0.41 0.37 0.00 0.00 -0.03 0.00 0.00 54.58 55.33 1wfn n ASN 45 Cb 1.70 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.55 3.11 7.41 0.00 -1.26 -4.89 105.19 109.64 1wfn n GLY 46 Ca -0.03 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.85 1.14 0.11 -0.61 -1.09 -1.26 -5.13 121.20 113.50 1wfn s ILE 47 Ca 0.00 -0.62 -0.21 0.00 -2.23 0.00 0.00 60.65 57.59 1wfn s ILE 47 Cb 0.00 -0.95 -0.07 0.00 -1.58 0.00 0.00 42.46 39.86 1wfn s ILE 47 CO 0.00 0.32 0.63 -0.76 -1.23 0.00 0.00 174.94 173.90 1wfn s LEU 48 N -0.35 4.53 0.00 2.97 2.01 -1.26 -4.21 118.68 122.37 1wfn s LEU 48 Ca 0.06 1.36 0.13 0.00 0.01 0.00 0.00 54.13 55.69 1wfn s LEU 48 Cb -0.06 -3.04 0.13 0.00 0.01 0.00 0.00 46.19 43.23 1wfn s LEU 48 CO -0.01 0.24 0.95 0.35 1.01 0.00 0.00 176.35 178.90 1wfn n THR 49 N 1.61 0.11 0.00 5.49 -2.24 0.79 -4.55 114.28 115.48 1wfn n THR 49 Ca -0.09 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1wfn n THR 49 Cb 0.50 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 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 0.73 -0.72 2.77 3.38 0.00 -1.12 -3.49 105.19 106.73 1wfn n GLY 50 Ca 0.08 -1.21 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 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 0.21 -0.18 1.61 2.02 0.16 0.72 117.35 119.88 1wfn s TYR 51 Ca 0.00 0.08 -0.19 0.00 -0.37 0.00 0.00 57.07 56.59 1wfn s TYR 51 Cb 0.00 -0.41 -0.03 0.00 -0.40 0.00 0.00 41.96 41.11 1wfn s TYR 51 CO 0.00 -0.15 0.55 0.50 -1.57 0.00 0.00 175.55 174.88 1wfn s ARG 52 N 1.39 4.23 0.07 -0.62 3.52 0.23 -2.04 118.95 125.73 1wfn s ARG 52 Ca -0.05 0.49 0.08 0.00 -0.13 0.00 0.00 55.73 56.12 1wfn s ARG 52 Cb -0.13 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1wfn s ARG 52 CO -0.03 -0.12 -0.18 -1.50 -0.81 0.00 0.00 175.30 172.66 1wfn s ILE 53 N 1.52 2.79 -0.23 4.11 2.07 -1.16 0.12 121.20 130.42 1wfn s ILE 53 Ca 0.26 -1.32 -0.05 0.00 -1.41 0.00 0.00 60.65 58.13 1wfn s ILE 53 Cb -0.16 -2.22 0.12 0.00 0.13 0.00 0.00 42.46 40.34 1wfn s ILE 53 CO 0.10 0.24 0.43 -0.94 -1.91 0.00 0.00 174.94 172.86 1wfn s SER 54 N -1.72 -0.19 -0.31 4.50 1.04 0.11 -2.03 113.70 115.10 1wfn s SER 54 Ca 0.16 0.70 -0.10 0.00 0.48 0.00 0.00 55.95 57.19 1wfn s SER 54 Cb -0.10 1.37 -0.01 0.00 0.10 0.00 0.00 66.02 67.38 1wfn s SER 54 CO 0.07 -0.26 0.15 -1.66 0.98 0.00 0.00 173.24 172.52 1wfn s TRP 55 N 2.62 3.18 0.02 5.02 -2.14 -1.26 0.16 118.94 126.53 1wfn s TRP 55 Ca 0.06 -0.56 0.03 0.00 2.66 0.00 0.00 56.10 58.29 1wfn s TRP 55 Cb -0.14 -2.35 -0.01 0.00 -3.10 0.00 0.00 33.47 27.87 1wfn s TRP 55 CO -0.15 -0.45 -0.10 -1.83 -2.66 0.00 0.00 176.95 171.76 1wfn s GLU 56 N 1.61 0.74 1.05 3.25 -1.05 0.86 -3.39 118.70 121.78 1wfn s GLU 56 Ca 0.05 -0.52 -0.23 0.00 -0.15 0.00 0.00 54.97 54.11 1wfn s GLU 56 Cb -0.17 -0.70 -0.06 0.00 -0.44 0.00 0.00 34.13 32.77 1wfn s GLU 56 CO 0.06 0.18 -0.84 0.39 0.95 0.00 0.00 175.26 176.00 1wfn n GLU 57 N 2.34 -0.75 -0.07 -4.83 -0.58 -1.13 0.21 120.64 115.83 1wfn n GLU 57 Ca -0.16 -0.21 -0.11 0.00 -0.42 0.00 0.00 57.16 56.26 1wfn n GLU 57 Cb 0.56 -1.31 -0.07 0.00 -0.57 0.00 0.00 31.44 30.05 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 -1.51 -1.26 -2.14 -0.32 3.20 -1.15 -3.26 116.97 110.53 1wfn h TYR 58 Ca -0.45 0.06 -0.54 0.00 3.14 0.00 0.00 58.73 60.94 1wfn h TYR 58 Cb 1.36 0.58 -0.41 0.00 1.54 0.00 0.00 36.73 39.79 1wfn h TYR 58 CO -0.03 -0.38 -0.92 0.27 -1.64 0.00 0.00 178.16 175.46 1wfn n ASN 59 N -4.70 2.66 -3.19 -2.11 6.94 -1.26 -4.85 115.26 108.75 1wfn n ASN 59 Ca -0.03 -3.34 0.00 0.00 -0.02 0.00 0.00 54.58 51.19 1wfn n ASN 59 Cb 0.27 -0.59 -0.02 0.00 -2.36 0.00 0.00 39.78 37.08 1wfn n ASN 59 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1wfn s ARG 60 N -2.92 0.53 0.36 -3.83 0.52 -1.23 -4.99 118.95 107.38 1wfn s ARG 60 Ca 0.44 0.41 0.26 0.00 -0.52 0.00 0.00 55.73 56.31 1wfn s ARG 60 Cb 0.31 0.10 0.70 0.00 0.52 0.00 0.00 34.95 36.58 1wfn s ARG 60 CO -0.11 -1.05 1.73 1.15 0.02 0.00 0.00 175.30 177.04 1wfn h THR 61 N 6.00 0.00 -0.12 0.02 2.02 -1.94 -2.97 112.91 115.92 1wfn h THR 61 Ca -0.03 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.51 1wfn h THR 61 Cb 1.17 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1wfn h THR 61 CO 0.18 0.00 0.17 -1.13 0.37 0.00 0.00 175.52 175.11 1wfn h ASN 62 N 0.00 0.00 -0.72 4.18 -1.24 -1.98 0.44 115.58 116.27 1wfn h ASN 62 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.68 1wfn h ASN 62 Cb 0.78 0.00 -0.20 0.00 0.73 0.00 0.00 38.32 39.63 1wfn h ASN 62 CO 0.00 0.00 0.33 0.35 -1.29 0.00 0.00 177.43 176.82 1wfn n THR 63 N -3.63 2.91 -3.50 -3.57 -2.24 -1.16 -4.97 114.28 98.12 1wfn n THR 63 Ca 0.00 -2.11 -0.38 0.00 -2.27 0.00 0.00 64.05 59.29 1wfn n THR 63 Cb 0.27 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.20 3.95 0.21 -0.78 3.52 0.15 -4.15 118.95 118.66 1wfn s ARG 64 Ca 0.52 0.38 0.11 0.00 -0.13 0.00 0.00 55.73 56.61 1wfn s ARG 64 Cb 0.44 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 1wfn s ARG 64 CO 0.08 0.63 -0.18 0.54 -0.81 0.00 0.00 175.30 175.56 1wfn s VAL 65 N -0.86 2.68 -0.28 7.11 0.11 -1.22 -4.97 120.40 122.97 1wfn s VAL 65 Ca 0.23 -2.01 0.02 0.00 -2.93 0.00 0.00 61.98 57.29 1wfn s VAL 65 Cb -0.16 -2.34 0.08 0.00 -1.53 0.00 0.00 36.38 32.43 1wfn s VAL 65 CO 0.12 -0.20 -0.00 -0.89 -3.33 0.00 0.00 175.10 170.80 1wfn s THR 66 N -1.91 1.71 0.33 5.04 2.01 -1.26 -4.00 115.64 117.55 1wfn s THR 66 Ca 0.25 -1.63 0.09 0.00 0.31 0.00 0.00 61.69 60.70 1wfn s THR 66 Cb -0.07 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1wfn s THR 66 CO 0.13 -0.34 0.07 -1.00 -0.69 0.00 0.00 174.62 172.80 1wfn s HIS 67 N 1.25 2.65 -0.02 4.92 3.76 -0.86 -5.02 115.29 121.97 1wfn s HIS 67 Ca 0.01 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.57 1wfn s HIS 67 Cb -0.19 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 31.99 1wfn s HIS 67 CO -0.10 0.43 -0.08 0.71 -0.85 0.00 0.00 174.74 174.85 1wfn s TYR 68 N -2.44 0.90 0.14 1.40 2.02 -1.26 -2.98 117.35 115.13 1wfn s TYR 68 Ca 0.36 -0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.88 1wfn s TYR 68 Cb -0.02 -0.64 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 1wfn s TYR 68 CO 0.21 -0.09 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.49 1wfn s LEU 69 N 0.19 2.52 1.01 -1.29 1.43 -0.87 -4.97 118.68 116.71 1wfn s LEU 69 Ca -0.03 -1.02 -0.15 0.00 -1.03 0.00 0.00 54.13 51.90 1wfn s LEU 69 Cb -0.08 -0.32 0.20 0.00 0.03 0.00 0.00 46.19 46.02 1wfn s LEU 69 CO 0.00 -0.35 1.19 -2.16 0.23 0.00 0.00 176.35 175.26 1wfn s PRO 70 N -3.76 0.29 -0.07 1.29 0.04 -1.26 -0.66 135.00 130.87 1wfn s PRO 70 Ca 0.16 -0.03 0.04 0.00 0.04 0.00 0.00 61.00 61.21 1wfn s PRO 70 Cb 0.03 -1.77 0.22 0.00 0.04 0.00 0.00 34.50 33.02 1wfn s PRO 70 CO 0.00 -2.71 0.86 0.27 0.04 0.00 0.00 177.00 175.46 1wfn n ASN 71 N -4.06 2.34 -0.01 6.66 0.23 -1.23 -2.97 115.26 116.22 1wfn n ASN 71 Ca 0.11 -2.26 0.01 0.00 -0.53 0.00 0.00 54.58 51.91 1wfn n ASN 71 Cb 0.59 -0.55 -0.03 0.00 -2.08 0.00 0.00 39.78 37.71 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 0.16 0.05 -4.11 3.53 0.24 -1.26 -4.90 118.33 112.04 1wfn n VAL 72 Ca 0.08 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.34 61.93 1wfn n VAL 72 Cb 0.52 0.15 -0.07 0.00 -1.47 0.00 0.00 33.84 32.98 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 -2.26 4.72 -0.00 3.34 2.01 -1.16 -4.98 115.64 117.31 1wfn s THR 73 Ca -0.02 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1wfn s THR 73 Cb 0.02 -3.14 0.01 0.00 0.01 0.00 0.00 72.50 69.40 1wfn s THR 73 CO 0.18 0.38 0.68 0.18 -0.69 0.00 0.00 174.62 175.35 1wfn n LEU 74 N 1.30 0.32 -3.93 4.42 4.77 -1.26 -4.72 117.00 117.90 1wfn n LEU 74 Ca -0.14 -0.54 -0.10 0.00 -0.03 0.00 0.00 56.01 55.20 1wfn n LEU 74 Cb 0.53 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1wfn n LEU 74 CO 0.37 0.13 -0.25 -1.83 -1.33 0.00 0.00 177.39 174.48 1wfn s GLU 75 N -0.22 0.45 0.03 3.23 1.03 -1.26 0.81 118.70 122.77 1wfn s GLU 75 Ca 0.01 -0.56 -0.26 0.00 0.03 0.00 0.00 54.97 54.19 1wfn s GLU 75 Cb 0.01 0.17 0.06 0.00 -0.80 0.00 0.00 34.13 33.58 1wfn s GLU 75 CO 0.00 -0.10 0.59 -0.47 -1.33 0.00 0.00 175.26 173.96 1wfn s TYR 76 N -1.70 -0.53 -0.19 4.83 5.04 0.24 -4.96 117.35 120.08 1wfn s TYR 76 Ca -0.13 0.70 -0.13 0.00 -2.44 0.00 0.00 57.07 55.07 1wfn s TYR 76 Cb -0.07 0.40 -0.05 0.00 0.35 0.00 0.00 41.96 42.60 1wfn s TYR 76 CO -0.01 -0.66 0.28 0.50 -1.34 0.00 0.00 175.55 174.32 1wfn s ARG 77 N -2.15 4.19 0.03 4.97 3.00 -1.26 0.16 118.95 127.89 1wfn s ARG 77 Ca -0.07 0.02 -0.02 0.00 -1.00 0.00 0.00 55.73 54.66 1wfn s ARG 77 Cb -0.01 -3.48 -0.04 0.00 0.00 0.00 0.00 34.95 31.42 1wfn s ARG 77 CO 0.01 0.14 0.22 0.08 0.00 0.00 0.00 175.30 175.75 1wfn s VAL 78 N 0.80 5.38 0.06 7.11 1.01 0.17 -4.96 120.40 129.96 1wfn s VAL 78 Ca 0.15 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 1wfn s VAL 78 Cb -0.13 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1wfn s VAL 78 CO 0.04 0.23 0.44 0.42 0.00 0.00 0.00 175.10 176.24 1wfn s THR 79 N -1.42 0.05 0.00 3.92 -4.23 -1.26 -1.78 115.64 110.91 1wfn s THR 79 Ca 0.32 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1wfn s THR 79 Cb -0.13 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.72 1wfn s THR 79 CO 0.23 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1wfn n GLY 80 N 0.36 1.02 0.00 3.99 0.00 -0.77 -5.00 105.19 104.80 1wfn n GLY 80 Ca -0.18 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.15 0.00 -3.99 0.99 4.77 -0.99 -5.09 117.00 112.55 1wfn n LEU 81 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1wfn n LEU 81 Cb 0.28 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 1wfn n LEU 81 CO 0.00 0.00 -0.36 -0.89 -1.33 0.00 0.00 177.39 174.81 1wfn s THR 82 N 3.76 0.16 0.31 -5.08 2.01 -1.25 -4.85 115.64 110.69 1wfn s THR 82 Ca 0.00 -0.95 -0.28 0.00 0.31 0.00 0.00 61.69 60.77 1wfn s THR 82 Cb 0.00 -0.32 -0.09 0.00 0.01 0.00 0.00 72.50 72.09 1wfn s THR 82 CO 0.00 -0.50 1.10 0.00 -0.69 0.00 0.00 174.62 174.53 1wfn s ALA 83 N -1.50 3.35 -1.28 7.40 0.00 -0.88 -3.57 121.76 125.27 1wfn s ALA 83 Ca -0.15 0.88 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 1wfn s ALA 83 Cb -0.10 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1wfn s ALA 83 CO -0.01 -0.20 0.56 1.28 0.00 0.00 0.00 175.76 177.39 1wfn n LEU 84 N 0.93 -0.75 -3.93 0.00 4.77 -1.26 -4.94 117.00 111.81 1wfn n LEU 84 Ca 0.00 -1.25 -0.15 0.00 -0.03 0.00 0.00 56.01 54.58 1wfn n LEU 84 Cb 0.45 -1.73 -0.14 0.00 -2.33 0.00 0.00 43.42 39.67 1wfn n LEU 84 CO 0.53 0.70 -0.39 -0.89 -1.33 0.00 0.00 177.39 176.01 1wfn s THR 85 N -3.70 0.29 0.08 -5.08 2.01 -1.23 -4.92 115.64 103.09 1wfn s THR 85 Ca 0.38 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 1wfn s THR 85 Cb -0.20 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1wfn s THR 85 CO 0.96 0.08 1.00 -0.89 -0.69 0.00 0.00 174.62 175.09 1wfn s THR 86 N -0.08 4.49 0.08 -0.82 2.01 -1.26 -0.71 115.64 119.36 1wfn s THR 86 Ca 0.01 1.97 0.02 0.00 0.31 0.00 0.00 61.69 64.00 1wfn s THR 86 Cb -0.02 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1wfn s THR 86 CO -0.00 0.25 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.80 1wfn s TYR 87 N 0.33 0.85 -0.16 4.92 2.02 0.50 -0.61 117.35 125.19 1wfn s TYR 87 Ca 0.50 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1wfn s TYR 87 Cb -0.24 -0.49 0.03 0.00 -0.40 0.00 0.00 41.96 40.86 1wfn s TYR 87 CO 0.30 -0.12 -0.10 0.99 -1.57 0.00 0.00 175.55 175.05 1wfn s THR 88 N -2.97 1.38 -0.35 -0.71 2.01 0.57 0.13 115.64 115.69 1wfn s THR 88 Ca 0.06 -0.68 -0.16 0.00 0.31 0.00 0.00 61.69 61.22 1wfn s THR 88 Cb 0.01 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 1wfn s THR 88 CO -0.03 0.28 0.39 -0.63 -0.69 0.00 0.00 174.62 173.93 1wfn s ILE 89 N 1.54 5.14 -0.34 1.82 -1.09 0.14 -0.10 121.20 128.31 1wfn s ILE 89 Ca 0.02 0.03 -0.13 0.00 -2.23 0.00 0.00 60.65 58.34 1wfn s ILE 89 Cb -0.14 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1wfn s ILE 89 CO -0.09 -0.15 0.26 -1.61 -1.23 0.00 0.00 174.94 172.13 1wfn s GLU 90 N 2.07 3.49 -0.24 2.79 8.01 0.41 -0.02 118.70 135.22 1wfn s GLU 90 Ca 0.12 -0.62 -0.05 0.00 0.01 0.00 0.00 54.97 54.44 1wfn s GLU 90 Cb -0.16 -3.81 -0.01 0.00 -4.31 0.00 0.00 34.13 25.83 1wfn s GLU 90 CO 0.12 -0.47 -0.01 0.08 0.01 0.00 0.00 175.26 175.00 1wfn s VAL 91 N 1.77 3.60 0.20 2.63 1.01 0.34 0.07 120.40 130.00 1wfn s VAL 91 Ca 0.07 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 61.67 1wfn s VAL 91 Cb -0.17 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1wfn s VAL 91 CO 0.11 0.36 -0.21 0.00 0.00 0.00 0.00 175.10 175.35 1wfn s ALA 92 N 1.50 2.38 0.51 5.51 0.00 0.32 0.52 121.76 132.50 1wfn s ALA 92 Ca 0.05 -1.63 0.01 0.00 0.00 0.00 0.00 51.96 50.39 1wfn s ALA 92 Cb -0.15 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1wfn s ALA 92 CO -0.01 0.34 0.74 0.00 0.00 0.00 0.00 175.76 176.82 1wfn s ALA 93 N -1.94 3.82 -0.02 0.00 0.00 -1.24 0.75 121.76 123.13 1wfn s ALA 93 Ca 0.20 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1wfn s ALA 93 Cb -0.07 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 20.96 1wfn s ALA 93 CO 0.09 -0.60 0.02 -1.64 0.00 0.00 0.00 175.76 173.63 1wfn s MET 94 N -4.69 0.07 0.00 0.00 -1.94 0.22 -2.32 119.30 110.65 1wfn s MET 94 Ca 0.54 0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.67 1wfn s MET 94 Cb -0.10 -0.33 0.00 0.00 2.01 0.00 0.00 34.83 36.41 1wfn s MET 94 CO 0.38 -0.16 0.00 0.25 -0.01 0.00 0.00 175.02 175.48 1wfn n THR 95 N 4.18 0.00 -0.08 2.05 -2.24 0.92 0.28 114.28 119.39 1wfn n THR 95 Ca -0.27 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 1wfn n THR 95 Cb 0.50 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 1wfn n THR 95 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1wfn h SER 96 N 0.00 0.50 0.28 3.42 0.87 -1.97 -3.24 113.55 113.41 1wfn h SER 96 Ca 0.00 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 1wfn h SER 96 Cb 0.00 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1wfn h SER 96 CO 0.00 0.80 -0.14 0.07 -0.53 0.00 0.00 176.83 177.04 1wfn h LYS 97 N 0.19 -0.36 0.00 2.24 -0.00 -1.96 -3.49 116.57 113.18 1wfn h LYS 97 Ca 0.05 0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.72 1wfn h LYS 97 Cb 0.62 0.08 0.00 0.00 -0.00 0.00 0.00 32.23 32.93 1wfn h LYS 97 CO 0.04 -0.11 0.00 0.41 -0.00 0.00 0.00 179.45 179.79 1wfn n GLY 98 N -0.67 -0.61 3.84 0.07 0.00 -1.22 -5.10 105.19 101.50 1wfn n GLY 98 Ca -0.10 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.78 4.00 0.00 1.61 0.74 -1.26 -0.06 119.66 123.91 1wfn s GLN 99 Ca 0.00 0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.95 1wfn s GLN 99 Cb 0.00 -2.83 0.00 0.00 1.10 0.00 0.00 33.01 31.28 1wfn s GLN 99 CO 0.00 0.41 0.00 0.41 -0.55 0.00 0.00 175.29 175.56 1wfn n GLY 100 N 0.53 2.68 2.95 2.59 0.00 -0.98 -4.83 105.19 108.13 1wfn n GLY 100 Ca -0.03 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 1wfn n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wfn n GLN 101 N 0.00 -1.59 -3.86 1.61 7.27 -0.66 -4.62 117.38 115.53 1wfn n GLN 101 Ca 0.00 -0.76 -0.11 0.00 0.07 0.00 0.00 57.00 56.20 1wfn n GLN 101 Cb 0.00 -1.46 -0.10 0.00 2.41 0.00 0.00 30.24 31.09 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 -2.03 0.07 -0.35 1.69 0.11 -1.26 -3.71 120.40 114.91 1wfn s VAL 102 Ca 0.35 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1wfn s VAL 102 Cb -0.06 -0.41 0.09 0.00 -1.53 0.00 0.00 36.38 34.47 1wfn s VAL 102 CO 0.29 -0.31 0.08 -0.44 -3.33 0.00 0.00 175.10 171.39 1wfn s SER 103 N -1.13 4.94 -0.18 3.54 0.01 0.19 -4.83 113.70 116.24 1wfn s SER 103 Ca -0.12 -1.85 -0.18 0.00 1.31 0.00 0.00 55.95 55.11 1wfn s SER 103 Cb -0.06 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1wfn s SER 103 CO 0.01 -0.40 0.49 0.00 0.41 0.00 0.00 173.24 173.76 1wfn s ALA 104 N 1.08 3.53 -0.16 1.44 0.00 -1.25 -0.51 121.76 125.89 1wfn s ALA 104 Ca 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 1wfn s ALA 104 Cb -0.21 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1wfn s ALA 104 CO -0.05 -0.29 -0.15 -1.54 0.00 0.00 0.00 175.76 173.73 1wfn s SER 105 N 0.98 3.65 -0.12 0.00 1.04 0.97 -4.87 113.70 115.36 1wfn s SER 105 Ca 0.24 -0.49 -0.28 0.00 0.48 0.00 0.00 55.95 55.90 1wfn s SER 105 Cb -0.15 -1.57 -0.02 0.00 0.10 0.00 0.00 66.02 64.38 1wfn s SER 105 CO 0.09 0.06 0.92 -0.89 0.98 0.00 0.00 173.24 174.41 1wfn s THR 106 N 0.95 4.84 -0.13 2.02 2.01 -1.26 -0.68 115.64 123.39 1wfn s THR 106 Ca -0.03 1.86 -0.12 0.00 0.31 0.00 0.00 61.69 63.72 1wfn s THR 106 Cb -0.15 -4.23 0.04 0.00 0.01 0.00 0.00 72.50 68.16 1wfn s THR 106 CO -0.02 0.04 0.35 -0.51 -0.69 0.00 0.00 174.62 173.79 1wfn s ILE 107 N 1.89 -0.00 -0.18 1.82 1.10 0.35 -4.97 121.20 121.21 1wfn s ILE 107 Ca 0.44 0.01 -0.03 0.00 -0.51 0.00 0.00 60.65 60.56 1wfn s ILE 107 Cb -0.18 -0.50 -0.02 0.00 0.15 0.00 0.00 42.46 41.91 1wfn s ILE 107 CO 0.17 0.00 -0.04 -0.55 -2.11 0.00 0.00 174.94 172.41 1wfn s SER 108 N 0.26 4.52 0.31 4.50 0.15 -1.26 0.19 113.70 122.37 1wfn s SER 108 Ca -0.01 -0.26 -0.20 0.00 0.70 0.00 0.00 55.95 56.18 1wfn s SER 108 Cb -0.03 -1.75 -0.14 0.00 -1.71 0.00 0.00 66.02 62.39 1wfn s SER 108 CO -0.00 0.08 0.17 -1.54 1.20 0.00 0.00 173.24 173.15 1wfn n SER 109 N 4.11 -2.15 0.00 5.45 3.41 0.12 -4.82 113.62 119.74 1wfn n SER 109 Ca -0.18 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1wfn n SER 109 Cb 0.52 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1wfn n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfn n GLY 110 N 1.96 -2.32 3.64 5.00 0.00 0.52 -4.10 105.19 109.89 1wfn n GLY 110 Ca 0.11 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 -0.34 0.00 -0.02 1.61 0.11 0.42 -4.49 120.40 117.69 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 -0.18 4.38 -0.33 1.54 0.04 -1.26 -3.92 135.00 135.27 1wfn s PRO 112 Ca 0.07 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 1wfn s PRO 112 Cb -0.04 -3.50 -0.17 0.00 0.04 0.00 0.00 34.50 30.83 1wfn s PRO 112 CO -0.13 -0.39 2.75 -0.35 0.04 0.00 0.00 177.00 178.92 1wfn n PRO 113 N 4.83 1.84 -2.97 0.56 -0.04 -1.26 -4.80 135.00 133.16 1wfn n PRO 113 Ca 0.10 -1.02 -0.44 0.00 -0.04 0.00 0.00 63.50 62.10 1wfn n PRO 113 Cb 0.46 -2.07 -0.03 0.00 -0.04 0.00 0.00 33.50 31.82 1wfn n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfn s SER 114 N 2.42 6.40 0.00 3.54 0.15 -1.26 -4.67 113.70 120.27 1wfn s SER 114 Ca 0.51 -1.63 0.00 0.00 0.70 0.00 0.00 55.95 55.53 1wfn s SER 114 Cb 0.21 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1wfn s SER 114 CO -0.01 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 173.88 1wfn n GLY 115 N 5.30 1.03 3.60 9.45 0.00 -1.26 -5.01 105.19 118.29 1wfn n GLY 115 Ca 0.07 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.95 3.52 -0.14 1.61 0.04 -1.26 -4.94 135.00 132.87 1wfn s PRO 116 Ca 0.00 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 1wfn s PRO 116 Cb 0.00 -4.05 0.11 0.00 0.04 0.00 0.00 34.50 30.60 1wfn s PRO 116 CO 0.00 -1.64 0.89 0.45 0.04 0.00 0.00 177.00 176.74 1wfn s SER 117 N 4.10 -0.49 0.49 6.66 0.15 -1.26 -5.16 113.70 118.20 1wfn s SER 117 Ca 0.61 0.59 -0.22 0.00 0.70 0.00 0.00 55.95 57.63 1wfn s SER 117 Cb -0.13 0.48 -0.07 0.00 -1.71 0.00 0.00 66.02 64.59 1wfn s SER 117 CO 0.32 -0.41 1.16 -0.94 1.20 0.00 0.00 173.24 174.57 1wfn s SER 118 N -0.95 6.00 0.00 5.45 1.04 -1.26 -5.18 113.70 118.80 1wfn s SER 118 Ca -0.04 2.27 0.00 0.00 0.48 0.00 0.00 55.95 58.66 1wfn s SER 118 Cb -0.01 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1wfn s SER 118 CO 0.04 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.83