#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 0.52 0.76 1.61 1.04 -1.26 -4.88 113.70 111.50 1wfn s SER 2 Ca 0.00 0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 1wfn s SER 2 Cb 0.00 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.11 1wfn s SER 2 CO 0.00 -0.18 1.12 -0.44 0.98 0.00 0.00 173.24 174.72 1wfn s SER 3 N 1.58 4.81 -0.36 7.02 0.01 -1.26 -5.05 113.70 120.45 1wfn s SER 3 Ca -0.03 0.80 -0.06 0.00 1.31 0.00 0.00 55.95 57.97 1wfn s SER 3 Cb -0.12 -1.41 0.06 0.00 0.21 0.00 0.00 66.02 64.76 1wfn s SER 3 CO -0.03 -1.69 0.14 -0.83 0.41 0.00 0.00 173.24 171.24 1wfn s GLY 4 N -4.51 1.89 -0.30 3.44 0.00 -1.26 -4.99 107.32 101.59 1wfn s GLY 4 Ca 0.60 -2.00 -0.12 0.00 0.00 0.00 0.00 44.72 43.21 1wfn s GLY 4 CO 0.49 0.86 1.05 -0.45 0.00 0.00 0.00 173.10 175.04 1wfn s SER 5 N 1.64 -0.41 0.06 1.64 0.15 -1.26 -5.17 113.70 110.35 1wfn s SER 5 Ca 0.01 0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.77 1wfn s SER 5 Cb -0.21 1.27 -0.04 0.00 -1.71 0.00 0.00 66.02 65.33 1wfn s SER 5 CO 0.01 -0.08 -0.04 -0.44 1.20 0.00 0.00 173.24 173.89 1wfn s SER 6 N 2.96 4.80 0.24 5.45 0.01 -1.26 -5.13 113.70 120.77 1wfn s SER 6 Ca 0.24 -0.19 -0.11 0.00 1.31 0.00 0.00 55.95 57.21 1wfn s SER 6 Cb -0.03 -1.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.08 1wfn s SER 6 CO -0.22 0.22 0.43 -0.83 0.41 0.00 0.00 173.24 173.25 1wfn s GLY 7 N -1.94 0.66 0.73 3.44 0.00 -1.26 -5.17 107.32 103.79 1wfn s GLY 7 Ca 0.22 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.83 1wfn s GLY 7 CO 0.13 -0.73 1.07 2.56 0.00 0.00 0.00 173.10 176.13 1wfn s PRO 8 N -4.04 2.61 0.21 2.90 0.04 -1.26 -5.08 135.00 130.39 1wfn s PRO 8 Ca 0.25 0.83 -0.23 0.00 0.04 0.00 0.00 61.00 61.89 1wfn s PRO 8 Cb 0.00 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.63 1wfn s PRO 8 CO 0.09 -1.30 0.79 -0.65 0.04 0.00 0.00 177.00 175.98 1wfn s GLN 9 N -5.09 1.47 0.49 4.56 -0.21 -1.26 -5.17 119.66 114.46 1wfn s GLN 9 Ca 0.59 -0.77 -0.14 0.00 0.02 0.00 0.00 55.36 55.06 1wfn s GLN 9 Cb -0.14 0.53 -0.07 0.00 1.00 0.00 0.00 33.01 34.33 1wfn s GLN 9 CO 0.55 -0.67 0.91 -0.51 -2.12 0.00 0.00 175.29 173.45 1wfn s LEU 10 N -2.88 3.66 0.01 2.90 1.02 -1.26 -5.06 118.68 117.07 1wfn s LEU 10 Ca 0.10 1.39 -0.08 0.00 0.02 0.00 0.00 54.13 55.56 1wfn s LEU 10 Cb -0.04 -4.32 -0.05 0.00 0.02 0.00 0.00 46.19 41.81 1wfn s LEU 10 CO 0.02 -0.55 0.29 0.54 0.02 0.00 0.00 176.35 176.66 1wfn s VAL 11 N -2.60 5.27 -0.12 -1.59 0.11 -1.26 -4.72 120.40 115.49 1wfn s VAL 11 Ca 0.56 0.27 -0.03 0.00 -2.93 0.00 0.00 61.98 59.85 1wfn s VAL 11 Cb -0.10 -3.57 0.01 0.00 -1.53 0.00 0.00 36.38 31.18 1wfn s VAL 11 CO 0.34 0.40 0.05 -1.14 -3.33 0.00 0.00 175.10 171.42 1wfn n ARG 12 N 1.23 -2.21 -4.26 1.54 0.63 -1.26 -5.03 116.66 107.30 1wfn n ARG 12 Ca -0.12 1.94 -0.14 0.00 -0.92 0.00 0.00 57.85 58.61 1wfn n ARG 12 Cb 0.53 -2.88 -0.10 0.00 0.45 0.00 0.00 32.46 30.46 1wfn n ARG 12 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1wfn s THR 13 N -0.86 0.37 0.16 5.15 -1.32 -1.26 -5.17 115.64 112.71 1wfn s THR 13 Ca -0.06 -1.99 0.05 0.00 -1.21 0.00 0.00 61.69 58.48 1wfn s THR 13 Cb 0.00 -2.47 -0.05 0.00 -1.51 0.00 0.00 72.50 68.48 1wfn s THR 13 CO 0.36 -0.11 -0.10 -2.28 -2.21 0.00 0.00 174.62 170.28 1wfn s HIS 14 N -3.89 1.37 -0.30 9.09 2.46 -1.26 -5.15 115.29 117.62 1wfn s HIS 14 Ca 0.35 -0.73 -0.17 0.00 0.47 0.00 0.00 55.06 54.98 1wfn s HIS 14 Cb 0.07 -0.69 0.18 0.00 -0.13 0.00 0.00 32.58 32.02 1wfn s HIS 14 CO 0.11 0.13 1.14 -1.21 -2.47 0.00 0.00 174.74 172.44 1wfn s GLU 15 N -3.74 0.17 -0.04 2.88 2.02 -1.26 -5.07 118.70 113.66 1wfn s GLU 15 Ca 0.19 0.35 -0.10 0.00 0.02 0.00 0.00 54.97 55.43 1wfn s GLU 15 Cb 0.02 0.12 -0.05 0.00 0.10 0.00 0.00 34.13 34.32 1wfn s GLU 15 CO 0.02 -0.05 0.46 0.22 0.02 0.00 0.00 175.26 175.94 1wfn h ASP 16 N 6.31 -0.29 -1.78 -0.19 1.82 -2.00 -3.46 116.42 116.83 1wfn h ASP 16 Ca -0.21 0.01 -0.51 0.00 -0.39 0.00 0.00 57.03 55.93 1wfn h ASP 16 Cb 1.15 0.08 0.25 0.00 0.68 0.00 0.00 39.33 41.48 1wfn h ASP 16 CO 0.15 0.06 -1.98 1.33 -1.61 0.00 0.00 179.24 177.20 1wfn n VAL 17 N -4.44 0.00 -1.51 2.25 0.24 -1.26 -4.64 118.33 108.97 1wfn n VAL 17 Ca -0.04 -0.22 -0.30 0.00 -2.04 0.00 0.00 64.34 61.73 1wfn n VAL 17 Cb 0.14 -0.16 0.22 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.41 -0.44 0.00 7.34 0.04 -1.24 -4.76 135.00 133.53 1wfn s PRO 18 Ca 0.43 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1wfn s PRO 18 Cb -0.05 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1wfn s PRO 18 CO 0.71 -3.15 0.00 0.41 0.04 0.00 0.00 177.00 175.01 1wfn n GLY 19 N -2.41 1.80 3.71 0.56 0.00 -1.10 -2.04 105.19 105.71 1wfn n GLY 19 Ca 0.15 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 3.53 4.43 0.00 1.61 0.04 -1.26 -3.25 135.00 140.10 1wfn s PRO 20 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1wfn s PRO 20 Cb 0.00 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1wfn s PRO 20 CO 0.00 -0.26 0.00 1.33 0.04 0.00 0.00 177.00 178.11 1wfn n VAL 21 N 4.02 0.00 0.00 -0.36 0.24 -1.26 -4.52 118.33 116.45 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 0.00 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 -3.20 3.37 7.63 0.00 -0.22 -4.71 105.19 108.07 1wfn n GLY 22 Ca 0.00 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 3.01 0.29 1.61 -3.43 -1.26 -4.77 115.29 110.74 1wfn s HIS 23 Ca 0.00 -0.70 -0.29 0.00 -0.80 0.00 0.00 55.06 53.27 1wfn s HIS 23 Cb 0.00 -2.14 -0.13 0.00 -1.43 0.00 0.00 32.58 28.88 1wfn s HIS 23 CO 0.00 -0.44 1.18 1.28 -2.00 0.00 0.00 174.74 174.77 1wfn n LEU 24 N 4.72 2.62 -3.87 5.38 7.99 -1.26 -4.52 117.00 128.08 1wfn n LEU 24 Ca -0.17 1.18 -0.12 0.00 -0.01 0.00 0.00 56.01 56.89 1wfn n LEU 24 Cb 0.51 -1.38 -0.12 0.00 -0.11 0.00 0.00 43.42 42.33 1wfn n LEU 24 CO 0.30 -0.92 -0.24 -0.55 -1.51 0.00 0.00 177.39 174.47 1wfn s SER 25 N -0.31 -0.02 0.03 -1.43 0.15 0.28 -5.00 113.70 107.40 1wfn s SER 25 Ca 0.60 0.00 0.04 0.00 0.70 0.00 0.00 55.95 57.28 1wfn s SER 25 Cb -0.65 0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 63.84 1wfn s SER 25 CO 0.59 -0.16 -0.11 -0.36 1.20 0.00 0.00 173.24 174.39 1wfn s PHE 26 N -0.54 1.00 0.32 3.44 0.08 -1.26 -0.92 117.98 120.10 1wfn s PHE 26 Ca -0.06 -0.32 -0.15 0.00 0.12 0.00 0.00 56.93 56.52 1wfn s PHE 26 Cb -0.04 -0.60 0.02 0.00 -0.57 0.00 0.00 43.02 41.83 1wfn s PHE 26 CO 0.00 0.00 0.66 -1.54 -0.10 0.00 0.00 175.22 174.25 1wfn s SER 27 N -0.95 0.00 -1.52 1.36 1.04 -0.68 -4.95 113.70 108.00 1wfn s SER 27 Ca 0.00 -0.96 -0.00 0.00 0.48 0.00 0.00 55.95 55.47 1wfn s SER 27 Cb -0.07 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1wfn s SER 27 CO 0.01 -1.41 0.00 -0.62 0.98 0.00 0.00 173.24 172.20 1wfn n GLU 28 N -0.48 -0.94 -2.80 4.02 -0.58 -1.26 -0.92 120.64 117.67 1wfn n GLU 28 Ca -0.04 0.09 -0.40 0.00 -0.42 0.00 0.00 57.16 56.38 1wfn n GLU 28 Cb 0.60 -3.51 -0.06 0.00 -0.57 0.00 0.00 31.44 27.90 1wfn n GLU 28 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wfn s ILE 29 N -4.36 4.27 0.00 -3.67 1.01 -1.26 -4.00 121.20 113.19 1wfn s ILE 29 Ca 0.00 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.64 1wfn s ILE 29 Cb -0.00 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1wfn s ILE 29 CO 0.98 0.45 0.00 0.18 0.00 0.00 0.00 174.94 176.55 1wfn n LEU 30 N 1.91 0.00 -0.03 2.97 7.99 0.31 -4.56 117.00 125.58 1wfn n LEU 30 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.95 1wfn n LEU 30 Cb 0.48 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.75 1wfn n LEU 30 CO 0.49 0.00 -0.71 -0.90 -1.51 0.00 0.00 177.39 174.76 1wfn n ASP 31 N 0.00 3.51 -0.68 -1.43 5.75 -1.25 0.11 116.55 122.55 1wfn n ASP 31 Ca 0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 54.79 54.78 1wfn n ASP 31 Cb 0.00 0.35 0.01 0.00 -1.03 0.00 0.00 41.12 40.46 1wfn n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1wfn n THR 32 N -2.41 0.11 -3.67 2.12 -2.24 -1.26 -1.86 114.28 105.08 1wfn n THR 32 Ca -0.11 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.19 1wfn n THR 32 Cb 0.67 0.56 -0.08 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.31 -0.55 0.08 3.42 1.04 -1.25 0.73 113.70 115.86 1wfn s SER 33 Ca 0.09 0.96 -0.15 0.00 0.48 0.00 0.00 55.95 57.32 1wfn s SER 33 Cb 0.09 0.97 0.03 0.00 0.10 0.00 0.00 66.02 67.21 1wfn s SER 33 CO -0.03 -0.29 0.36 -1.48 0.98 0.00 0.00 173.24 172.78 1wfn s LEU 34 N -0.10 0.61 -0.19 2.42 0.05 -0.53 0.11 118.68 121.04 1wfn s LEU 34 Ca -0.03 -0.24 -0.16 0.00 0.05 0.00 0.00 54.13 53.75 1wfn s LEU 34 Cb -0.03 1.63 -0.04 0.00 -2.05 0.00 0.00 46.19 45.70 1wfn s LEU 34 CO 0.03 -0.74 0.41 -0.75 -0.55 0.00 0.00 176.35 174.75 1wfn s LYS 35 N -3.19 4.21 -0.07 1.48 2.36 -0.10 0.11 119.74 124.54 1wfn s LYS 35 Ca -0.01 0.25 -0.02 0.00 -2.55 0.00 0.00 55.97 53.64 1wfn s LYS 35 Cb 0.01 -3.52 -0.04 0.00 -1.05 0.00 0.00 37.83 33.24 1wfn s LYS 35 CO -0.07 -0.00 0.04 0.08 1.55 0.00 0.00 175.35 176.95 1wfn s VAL 36 N 1.19 4.60 -0.06 4.02 1.01 0.63 -1.68 120.40 130.10 1wfn s VAL 36 Ca 0.20 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 1wfn s VAL 36 Cb -0.15 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1wfn s VAL 36 CO 0.08 0.54 0.19 -0.94 0.00 0.00 0.00 175.10 174.97 1wfn s SER 37 N -1.13 -0.17 0.18 3.32 1.04 -0.10 0.11 113.70 116.95 1wfn s SER 37 Ca 0.16 0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.90 1wfn s SER 37 Cb -0.12 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.37 1wfn s SER 37 CO 0.05 -0.11 0.22 -2.67 0.98 0.00 0.00 173.24 171.71 1wfn n TRP 38 N 2.74 -0.77 -4.46 5.02 2.14 0.22 -0.55 117.44 121.78 1wfn n TRP 38 Ca -0.14 -1.34 -0.24 0.00 2.07 0.00 0.00 57.50 57.85 1wfn n TRP 38 Cb 0.58 0.24 -0.08 0.00 -0.81 0.00 0.00 31.31 31.24 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 -2.53 1.91 0.14 -2.67 -0.21 -1.26 -4.73 119.66 110.31 1wfn s GLN 39 Ca 0.18 -2.16 -0.30 0.00 0.02 0.00 0.00 55.36 53.10 1wfn s GLN 39 Cb 0.00 -0.36 -0.06 0.00 1.00 0.00 0.00 33.01 33.58 1wfn s GLN 39 CO 0.12 -0.54 0.95 -1.21 -2.12 0.00 0.00 175.29 172.49 1wfn s GLU 40 N -3.63 4.73 0.50 2.91 2.02 -1.26 -1.05 118.70 122.92 1wfn s GLU 40 Ca 0.27 1.45 -0.19 0.00 0.02 0.00 0.00 54.97 56.52 1wfn s GLU 40 Cb 0.02 -3.35 -0.08 0.00 0.10 0.00 0.00 34.13 30.82 1wfn s GLU 40 CO 0.18 0.28 1.04 -1.25 0.02 0.00 0.00 175.26 175.53 1wfn s PRO 41 N -0.27 3.72 0.00 0.39 0.04 -1.26 -4.25 135.00 133.38 1wfn s PRO 41 Ca 0.45 1.32 0.30 0.00 0.04 0.00 0.00 61.00 63.12 1wfn s PRO 41 Cb -0.24 -2.08 1.44 0.00 0.04 0.00 0.00 34.50 33.65 1wfn s PRO 41 CO 0.30 -0.49 2.00 0.41 0.04 0.00 0.00 177.00 179.26 1wfn n GLY 42 N -0.41 -1.18 2.31 0.56 0.00 -1.26 -3.52 105.19 101.68 1wfn n GLY 42 Ca 0.09 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1wfn n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wfn n GLU 43 N -1.19 3.38 -0.41 1.61 0.28 -1.26 -4.80 120.64 118.24 1wfn n GLU 43 Ca 0.14 -4.16 0.33 0.00 -0.16 0.00 0.00 57.16 53.32 1wfn n GLU 43 Cb 0.25 -2.27 0.61 0.00 1.43 0.00 0.00 31.44 31.46 1wfn n GLU 43 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1wfn h LYS 44 N 2.39 0.14 -7.02 3.44 1.57 -1.94 -2.92 116.57 112.24 1wfn h LYS 44 Ca 0.38 -0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.56 1wfn h LYS 44 Cb 1.09 -0.03 -0.34 0.00 0.08 0.00 0.00 32.23 33.03 1wfn h LYS 44 CO 0.94 0.10 -0.88 0.09 -0.57 0.00 0.00 179.45 179.12 1wfn n ASN 45 N -4.72 -1.18 0.00 0.86 3.02 -1.26 -3.71 115.26 108.27 1wfn n ASN 45 Ca 0.35 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1wfn n ASN 45 Cb 1.30 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1wfn n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wfn n GLY 46 N -1.35 2.13 3.63 7.41 0.00 -1.26 -4.59 105.19 111.16 1wfn n GLY 46 Ca 0.02 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.50 4.62 0.08 -0.61 -1.09 -1.26 -4.98 121.20 116.45 1wfn s ILE 47 Ca 0.00 1.53 -0.31 0.00 -2.23 0.00 0.00 60.65 59.64 1wfn s ILE 47 Cb 0.00 -4.32 -0.09 0.00 -1.58 0.00 0.00 42.46 36.48 1wfn s ILE 47 CO 0.00 -0.39 1.74 -0.76 -1.23 0.00 0.00 174.94 174.30 1wfn s LEU 48 N 3.38 4.38 0.02 2.97 1.43 -1.26 -4.04 118.68 125.56 1wfn s LEU 48 Ca 0.40 2.58 0.22 0.00 -1.03 0.00 0.00 54.13 56.31 1wfn s LEU 48 Cb -0.13 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.42 1wfn s LEU 48 CO 0.14 -0.94 0.87 0.35 0.23 0.00 0.00 176.35 177.00 1wfn n THR 49 N 4.84 0.09 -3.67 5.49 -2.24 0.55 -4.61 114.28 114.73 1wfn n THR 49 Ca 0.17 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1wfn n THR 49 Cb 0.40 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.38 -0.97 2.97 3.38 0.00 0.21 -3.63 105.19 108.53 1wfn n GLY 50 Ca 0.01 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.00 0.05 -0.20 1.61 2.02 0.19 0.16 117.35 118.19 1wfn s TYR 51 Ca 0.00 -0.10 -0.04 0.00 -0.37 0.00 0.00 57.07 56.56 1wfn s TYR 51 Cb 0.00 -0.05 -0.02 0.00 -0.40 0.00 0.00 41.96 41.49 1wfn s TYR 51 CO 0.00 -0.12 -0.02 0.50 -1.57 0.00 0.00 175.55 174.35 1wfn s ARG 52 N -0.64 3.56 0.04 -0.62 3.52 0.14 0.25 118.95 125.20 1wfn s ARG 52 Ca -0.07 -0.55 0.06 0.00 -0.13 0.00 0.00 55.73 55.04 1wfn s ARG 52 Cb -0.04 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1wfn s ARG 52 CO -0.00 -0.00 -0.14 -1.50 -0.81 0.00 0.00 175.30 172.85 1wfn s ILE 53 N 1.02 3.10 -0.24 4.11 2.07 -1.08 -0.51 121.20 129.68 1wfn s ILE 53 Ca 0.01 -1.09 -0.04 0.00 -1.41 0.00 0.00 60.65 58.13 1wfn s ILE 53 Cb -0.14 -2.34 0.13 0.00 0.13 0.00 0.00 42.46 40.23 1wfn s ILE 53 CO 0.01 0.32 0.42 -0.44 -1.91 0.00 0.00 174.94 173.34 1wfn s SER 54 N -1.54 -0.11 -0.29 4.50 0.01 0.44 -2.29 113.70 114.42 1wfn s SER 54 Ca 0.16 0.56 -0.10 0.00 1.31 0.00 0.00 55.95 57.88 1wfn s SER 54 Cb -0.11 1.32 -0.03 0.00 0.21 0.00 0.00 66.02 67.41 1wfn s SER 54 CO 0.07 -0.27 0.16 -1.66 0.41 0.00 0.00 173.24 171.95 1wfn s TRP 55 N 2.61 3.18 0.01 2.43 -2.14 -1.26 0.79 118.94 124.56 1wfn s TRP 55 Ca 0.09 -0.23 0.03 0.00 2.66 0.00 0.00 56.10 58.65 1wfn s TRP 55 Cb -0.14 -2.36 -0.01 0.00 -3.10 0.00 0.00 33.47 27.86 1wfn s TRP 55 CO -0.15 -0.31 -0.09 -1.83 -2.66 0.00 0.00 176.95 171.90 1wfn s GLU 56 N 1.69 0.69 0.99 3.25 -1.05 -0.70 -3.33 118.70 120.23 1wfn s GLU 56 Ca 0.06 -0.44 -0.19 0.00 -0.15 0.00 0.00 54.97 54.26 1wfn s GLU 56 Cb -0.16 -0.65 0.00 0.00 -0.44 0.00 0.00 34.13 32.88 1wfn s GLU 56 CO 0.08 0.17 -0.49 0.39 0.95 0.00 0.00 175.26 176.36 1wfn n GLU 57 N 2.52 -1.02 -0.02 -4.83 1.02 -1.21 0.15 120.64 117.24 1wfn n GLU 57 Ca -0.15 -0.30 -0.09 0.00 -0.02 0.00 0.00 57.16 56.61 1wfn n GLU 57 Cb 0.56 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 30.60 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 -1.82 -0.93 -2.13 -0.32 3.20 -0.41 -3.30 116.97 111.26 1wfn h TYR 58 Ca -0.37 0.04 -0.56 0.00 3.14 0.00 0.00 58.73 60.98 1wfn h TYR 58 Cb 1.11 0.42 -0.41 0.00 1.54 0.00 0.00 36.73 39.39 1wfn h TYR 58 CO -0.89 -0.31 -0.86 -1.71 -1.64 0.00 0.00 178.16 172.76 1wfn n ASN 59 N -4.19 2.43 -3.20 -2.11 2.85 -1.26 -4.84 115.26 104.93 1wfn n ASN 59 Ca -0.03 -3.23 0.00 0.00 -0.11 0.00 0.00 54.58 51.21 1wfn n ASN 59 Cb 0.21 -0.62 -0.02 0.00 1.24 0.00 0.00 39.78 40.58 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 -2.39 0.51 0.12 1.20 0.52 -1.24 -5.02 118.95 112.65 1wfn s ARG 60 Ca 0.41 0.62 -0.03 0.00 -0.52 0.00 0.00 55.73 56.21 1wfn s ARG 60 Cb 0.23 0.16 -0.13 0.00 0.52 0.00 0.00 34.95 35.73 1wfn s ARG 60 CO -0.08 -0.86 1.27 1.15 0.02 0.00 0.00 175.30 176.80 1wfn h THR 61 N 6.05 1.45 -1.06 0.02 2.02 -1.94 -3.14 112.91 116.31 1wfn h THR 61 Ca -0.11 -2.66 0.30 0.00 0.77 0.00 0.00 66.41 64.70 1wfn h THR 61 Cb 1.16 2.58 -0.05 0.00 -1.74 0.00 0.00 68.15 70.10 1wfn h THR 61 CO 0.22 0.78 0.75 -1.13 0.37 0.00 0.00 175.52 176.51 1wfn h ASN 62 N 0.16 0.10 -0.66 4.18 -1.24 -2.00 1.45 115.58 117.57 1wfn h ASN 62 Ca -0.09 0.02 -0.35 0.00 0.71 0.00 0.00 56.30 56.59 1wfn h ASN 62 Cb 1.67 0.00 -0.20 0.00 0.73 0.00 0.00 38.32 40.52 1wfn h ASN 62 CO 0.17 0.02 0.44 0.35 -1.29 0.00 0.00 177.43 177.12 1wfn n THR 63 N -4.30 2.47 -3.71 -3.57 -2.24 -1.19 -4.90 114.28 96.84 1wfn n THR 63 Ca 0.23 -1.29 -0.37 0.00 -2.27 0.00 0.00 64.05 60.35 1wfn n THR 63 Cb 1.08 -0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 68.58 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 -2.18 3.69 0.28 -0.78 6.06 0.50 -4.05 118.95 122.45 1wfn s ARG 64 Ca 0.38 0.08 0.11 0.00 -2.50 0.00 0.00 55.73 53.80 1wfn s ARG 64 Cb 0.32 -3.22 -0.05 0.00 0.06 0.00 0.00 34.95 32.06 1wfn s ARG 64 CO 0.07 0.70 -0.12 0.54 -2.50 0.00 0.00 175.30 173.99 1wfn s VAL 65 N -0.92 2.87 -0.08 7.11 0.11 -1.21 -5.00 120.40 123.29 1wfn s VAL 65 Ca 0.18 -2.20 0.02 0.00 -2.93 0.00 0.00 61.98 57.05 1wfn s VAL 65 Cb -0.14 -2.53 0.01 0.00 -1.53 0.00 0.00 36.38 32.20 1wfn s VAL 65 CO 0.07 -0.39 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.44 1wfn s THR 66 N -2.44 1.22 0.06 5.04 2.01 -1.26 -4.14 115.64 116.14 1wfn s THR 66 Ca 0.31 -0.51 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 1wfn s THR 66 Cb -0.05 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 1wfn s THR 66 CO 0.17 0.38 0.05 -1.00 -0.69 0.00 0.00 174.62 173.53 1wfn s HIS 67 N 0.79 0.36 -0.04 4.92 3.76 -0.97 -5.03 115.29 119.07 1wfn s HIS 67 Ca -0.12 -0.83 0.02 0.00 -0.15 0.00 0.00 55.06 53.98 1wfn s HIS 67 Cb -0.15 -0.25 0.01 0.00 1.11 0.00 0.00 32.58 33.30 1wfn s HIS 67 CO 0.02 -0.42 -0.08 0.71 -0.85 0.00 0.00 174.74 174.12 1wfn s TYR 68 N -3.65 0.98 0.25 1.40 2.02 -1.26 -2.64 117.35 114.45 1wfn s TYR 68 Ca 0.04 -0.30 0.10 0.00 -0.37 0.00 0.00 57.07 56.54 1wfn s TYR 68 Cb 0.05 -0.77 -0.05 0.00 -0.40 0.00 0.00 41.96 40.80 1wfn s TYR 68 CO -0.09 -0.18 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.02 1wfn s LEU 69 N 0.63 2.58 1.06 -1.29 1.43 0.14 -4.94 118.68 118.28 1wfn s LEU 69 Ca -0.10 -1.03 -0.17 0.00 -1.03 0.00 0.00 54.13 51.80 1wfn s LEU 69 Cb -0.13 -0.92 0.23 0.00 0.03 0.00 0.00 46.19 45.40 1wfn s LEU 69 CO 0.01 -0.05 1.21 -2.16 0.23 0.00 0.00 176.35 175.59 1wfn s PRO 70 N -3.57 -0.08 -0.08 1.29 0.04 -1.26 0.56 135.00 131.90 1wfn s PRO 70 Ca 0.27 -0.16 0.05 0.00 0.04 0.00 0.00 61.00 61.19 1wfn s PRO 70 Cb -0.03 -1.74 0.28 0.00 0.04 0.00 0.00 34.50 33.05 1wfn s PRO 70 CO 0.12 -2.93 0.93 0.27 0.04 0.00 0.00 177.00 175.42 1wfn n ASN 71 N -4.19 2.59 -0.01 6.66 6.94 -1.24 -3.10 115.26 122.92 1wfn n ASN 71 Ca 0.13 -2.31 0.02 0.00 -0.02 0.00 0.00 54.58 52.40 1wfn n ASN 71 Cb 0.59 -0.55 -0.04 0.00 -2.36 0.00 0.00 39.78 37.42 1wfn n ASN 71 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1wfn n VAL 72 N 0.21 0.07 -4.34 3.53 0.24 -1.26 -4.96 118.33 111.83 1wfn n VAL 72 Ca 0.09 -0.14 -0.35 0.00 -2.04 0.00 0.00 64.34 61.91 1wfn n VAL 72 Cb 0.57 0.13 -0.09 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 -2.31 4.36 0.00 3.34 2.01 -1.18 -4.97 115.64 116.89 1wfn s THR 73 Ca -0.02 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1wfn s THR 73 Cb 0.03 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.69 1wfn s THR 73 CO 0.21 0.58 0.60 0.18 -0.69 0.00 0.00 174.62 175.50 1wfn n LEU 74 N 2.03 0.68 -4.02 4.42 4.77 -1.26 -4.68 117.00 118.94 1wfn n LEU 74 Ca -0.18 -0.68 -0.11 0.00 -0.03 0.00 0.00 56.01 55.01 1wfn n LEU 74 Cb 0.54 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1wfn n LEU 74 CO 0.29 0.17 -0.38 -1.83 -1.33 0.00 0.00 177.39 174.31 1wfn s GLU 75 N -0.31 0.42 -0.07 3.23 -1.05 -1.26 0.71 118.70 120.37 1wfn s GLU 75 Ca 0.00 -0.68 -0.31 0.00 -0.15 0.00 0.00 54.97 53.84 1wfn s GLU 75 Cb 0.00 -0.09 0.07 0.00 -0.44 0.00 0.00 34.13 33.67 1wfn s GLU 75 CO 0.00 0.00 0.69 -0.47 0.95 0.00 0.00 175.26 176.44 1wfn s TYR 76 N -1.40 -0.66 -0.17 4.83 6.14 0.29 -4.95 117.35 121.43 1wfn s TYR 76 Ca -0.13 1.17 -0.11 0.00 0.64 0.00 0.00 57.07 58.64 1wfn s TYR 76 Cb -0.10 0.40 -0.05 0.00 0.42 0.00 0.00 41.96 42.64 1wfn s TYR 76 CO -0.00 -0.58 0.20 0.50 0.64 0.00 0.00 175.55 176.30 1wfn s ARG 77 N -1.08 4.08 0.11 4.97 3.52 -1.26 0.23 118.95 129.53 1wfn s ARG 77 Ca -0.10 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 1wfn s ARG 77 Cb -0.00 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 1wfn s ARG 77 CO 0.09 0.37 0.27 0.54 -0.81 0.00 0.00 175.30 175.76 1wfn s VAL 78 N 0.11 5.33 -0.19 7.11 0.11 0.30 -4.91 120.40 128.26 1wfn s VAL 78 Ca 0.13 -0.46 -0.18 0.00 -2.93 0.00 0.00 61.98 58.53 1wfn s VAL 78 Cb -0.12 -3.68 0.05 0.00 -1.53 0.00 0.00 36.38 31.10 1wfn s VAL 78 CO 0.02 0.01 0.51 0.42 -3.33 0.00 0.00 175.10 172.73 1wfn s THR 79 N -1.65 0.00 0.00 5.04 -4.23 -1.25 -1.45 115.64 112.10 1wfn s THR 79 Ca 0.36 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1wfn s THR 79 Cb -0.12 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 73.00 1wfn s THR 79 CO 0.28 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 1wfn n GLY 80 N 2.78 0.99 0.00 3.99 0.00 0.22 -4.96 105.19 108.22 1wfn n GLY 80 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.30 0.99 4.77 0.53 -5.00 117.00 114.00 1wfn n LEU 81 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1wfn n LEU 81 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 1wfn n LEU 81 CO 0.00 -0.73 -0.55 -0.89 -1.33 0.00 0.00 177.39 173.89 1wfn s THR 82 N -0.22 1.93 0.36 -5.08 2.01 -1.26 -4.63 115.64 108.76 1wfn s THR 82 Ca 0.00 -1.21 -0.28 0.00 0.31 0.00 0.00 61.69 60.51 1wfn s THR 82 Cb 0.00 -1.64 -0.10 0.00 0.01 0.00 0.00 72.50 70.77 1wfn s THR 82 CO 0.00 0.39 1.36 0.00 -0.69 0.00 0.00 174.62 175.68 1wfn s ALA 83 N -0.71 3.48 -1.21 7.40 0.00 -0.78 -3.03 121.76 126.91 1wfn s ALA 83 Ca 0.10 1.36 -0.33 0.00 0.00 0.00 0.00 51.96 53.09 1wfn s ALA 83 Cb -0.09 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.54 1wfn s ALA 83 CO 0.01 -0.81 0.69 1.28 0.00 0.00 0.00 175.76 176.92 1wfn n LEU 84 N 0.56 -0.54 -3.99 0.00 4.77 -1.26 -4.95 117.00 111.60 1wfn n LEU 84 Ca 0.01 -1.27 -0.11 0.00 -0.03 0.00 0.00 56.01 54.61 1wfn n LEU 84 Cb 0.41 -1.71 -0.12 0.00 -2.33 0.00 0.00 43.42 39.68 1wfn n LEU 84 CO 0.60 0.78 -0.37 -0.89 -1.33 0.00 0.00 177.39 176.17 1wfn s THR 85 N -3.53 0.23 -0.07 -5.08 2.01 -1.17 -4.93 115.64 103.10 1wfn s THR 85 Ca 0.49 -0.84 -0.22 0.00 0.31 0.00 0.00 61.69 61.43 1wfn s THR 85 Cb -0.26 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1wfn s THR 85 CO 0.96 -0.39 0.66 -0.89 -0.69 0.00 0.00 174.62 174.27 1wfn s THR 86 N -1.24 5.06 0.05 -0.82 2.01 -1.26 -0.26 115.64 119.17 1wfn s THR 86 Ca -0.12 1.35 0.01 0.00 0.31 0.00 0.00 61.69 63.25 1wfn s THR 86 Cb -0.09 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1wfn s THR 86 CO -0.00 0.28 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.83 1wfn s TYR 87 N 0.70 0.62 -0.25 4.92 1.51 0.95 0.35 117.35 126.15 1wfn s TYR 87 Ca 0.35 -0.63 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1wfn s TYR 87 Cb -0.17 -0.38 0.06 0.00 -0.11 0.00 0.00 41.96 41.35 1wfn s TYR 87 CO 0.17 -0.14 -0.11 0.99 -1.11 0.00 0.00 175.55 175.35 1wfn s THR 88 N -2.03 2.02 -0.25 -0.71 2.01 0.39 0.15 115.64 117.23 1wfn s THR 88 Ca -0.06 -1.48 -0.22 0.00 0.31 0.00 0.00 61.69 60.25 1wfn s THR 88 Cb -0.06 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 1wfn s THR 88 CO -0.02 0.01 0.70 -0.63 -0.69 0.00 0.00 174.62 173.99 1wfn s ILE 89 N 1.18 4.93 -0.26 1.82 -1.09 -0.68 -1.73 121.20 125.38 1wfn s ILE 89 Ca -0.07 1.27 -0.10 0.00 -2.23 0.00 0.00 60.65 59.53 1wfn s ILE 89 Cb -0.19 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 1wfn s ILE 89 CO -0.06 -0.01 0.14 -1.61 -1.23 0.00 0.00 174.94 172.17 1wfn s GLU 90 N 2.62 3.85 -0.13 2.79 2.02 0.24 -1.42 118.70 128.67 1wfn s GLU 90 Ca 0.29 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.92 1wfn s GLU 90 Cb -0.15 -3.52 -0.01 0.00 0.10 0.00 0.00 34.13 30.55 1wfn s GLU 90 CO 0.08 -0.16 -0.17 0.08 0.02 0.00 0.00 175.26 175.11 1wfn s VAL 91 N 1.62 2.63 0.08 2.63 1.01 -0.70 -0.42 120.40 127.26 1wfn s VAL 91 Ca 0.07 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1wfn s VAL 91 Cb -0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1wfn s VAL 91 CO 0.08 0.53 -0.06 0.00 0.00 0.00 0.00 175.10 175.65 1wfn s ALA 92 N 0.47 0.83 -0.12 5.51 0.00 0.33 0.99 121.76 129.76 1wfn s ALA 92 Ca -0.12 -1.23 -0.09 0.00 0.00 0.00 0.00 51.96 50.52 1wfn s ALA 92 Cb -0.16 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1wfn s ALA 92 CO 0.05 -0.23 0.18 0.00 0.00 0.00 0.00 175.76 175.76 1wfn s ALA 93 N -3.34 3.80 -0.14 0.00 0.00 -1.25 0.28 121.76 121.12 1wfn s ALA 93 Ca 0.08 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 1wfn s ALA 93 Cb 0.03 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 1wfn s ALA 93 CO -0.05 0.48 -0.07 -1.64 0.00 0.00 0.00 175.76 174.48 1wfn s MET 94 N -0.66 3.50 0.00 0.00 -1.94 0.43 -0.29 119.30 120.34 1wfn s MET 94 Ca 0.15 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 1wfn s MET 94 Cb -0.12 -2.80 0.00 0.00 2.01 0.00 0.00 34.83 33.91 1wfn s MET 94 CO 0.04 0.28 0.00 0.25 -0.01 0.00 0.00 175.02 175.58 1wfn n THR 95 N 3.38 0.00 0.88 2.05 -2.24 -0.48 0.21 114.28 118.07 1wfn n THR 95 Ca -0.18 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.70 1wfn n THR 95 Cb 0.53 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.30 0.00 -0.11 3.42 3.41 -1.26 -3.00 113.62 115.78 1wfn n SER 96 Ca 0.00 0.03 -0.22 0.00 -0.26 0.00 0.00 58.87 58.42 1wfn n SER 96 Cb 0.00 -0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 63.57 1wfn n SER 96 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wfn n LYS 97 N -1.29 0.56 0.00 4.33 4.76 -1.26 -5.10 118.16 120.16 1wfn n LYS 97 Ca 0.09 0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 1wfn n LYS 97 Cb 0.15 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 1wfn n LYS 97 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfn n GLY 98 N 1.39 -0.85 3.04 0.72 0.00 -1.16 -5.07 105.19 103.26 1wfn n GLY 98 Ca -0.37 0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 1.15 0.00 1.61 0.74 -1.26 -1.38 119.66 120.52 1wfn s GLN 99 Ca 0.00 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.02 1wfn s GLN 99 Cb 0.00 -1.06 0.00 0.00 1.10 0.00 0.00 33.01 33.05 1wfn s GLN 99 CO 0.00 0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.31 1wfn n GLY 100 N 3.18 1.86 2.93 2.59 0.00 0.61 -4.85 105.19 111.51 1wfn n GLY 100 Ca -0.18 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.00 0.00 -4.57 1.61 7.27 -0.87 -4.40 117.38 115.42 1wfn n GLN 101 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1wfn n GLN 101 Cb 0.00 -0.95 -0.15 0.00 2.41 0.00 0.00 30.24 31.55 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 -1.90 1.02 -0.49 1.69 0.11 -1.26 -3.78 120.40 115.79 1wfn s VAL 102 Ca 0.44 -0.53 -0.13 0.00 -2.93 0.00 0.00 61.98 58.83 1wfn s VAL 102 Cb -0.28 -0.86 0.11 0.00 -1.53 0.00 0.00 36.38 33.81 1wfn s VAL 102 CO 0.73 0.29 0.40 -0.44 -3.33 0.00 0.00 175.10 172.75 1wfn s SER 103 N -0.16 5.96 -0.30 3.54 0.01 0.28 -4.81 113.70 118.23 1wfn s SER 103 Ca 0.02 -1.70 -0.17 0.00 1.31 0.00 0.00 55.95 55.42 1wfn s SER 103 Cb -0.07 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 1wfn s SER 103 CO 0.00 -0.73 0.46 0.00 0.41 0.00 0.00 173.24 173.38 1wfn s ALA 104 N 1.51 3.54 -0.13 1.44 0.00 -1.25 -1.73 121.76 125.15 1wfn s ALA 104 Ca 0.04 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1wfn s ALA 104 Cb -0.27 -2.87 -0.00 0.00 0.00 0.00 0.00 23.12 19.98 1wfn s ALA 104 CO 0.02 -0.89 -0.18 -1.12 0.00 0.00 0.00 175.76 173.60 1wfn s SER 105 N 1.66 3.56 0.06 0.00 0.01 -0.51 -4.89 113.70 113.58 1wfn s SER 105 Ca 0.18 -0.46 -0.30 0.00 1.31 0.00 0.00 55.95 56.67 1wfn s SER 105 Cb -0.16 -1.52 -0.05 0.00 0.21 0.00 0.00 66.02 64.50 1wfn s SER 105 CO 0.11 0.14 1.11 -0.89 0.41 0.00 0.00 173.24 174.11 1wfn s THR 106 N 0.51 4.30 -0.13 1.44 2.01 -1.26 -1.68 115.64 120.83 1wfn s THR 106 Ca -0.12 1.69 -0.06 0.00 0.31 0.00 0.00 61.69 63.51 1wfn s THR 106 Cb -0.16 -4.08 0.05 0.00 0.01 0.00 0.00 72.50 68.32 1wfn s THR 106 CO 0.05 0.15 0.30 -0.51 -0.69 0.00 0.00 174.62 173.92 1wfn s ILE 107 N 0.87 -0.05 -0.27 1.82 1.10 0.41 -4.96 121.20 120.12 1wfn s ILE 107 Ca 0.55 0.13 -0.13 0.00 -0.51 0.00 0.00 60.65 60.69 1wfn s ILE 107 Cb -0.27 -0.45 -0.04 0.00 0.15 0.00 0.00 42.46 41.85 1wfn s ILE 107 CO 0.29 0.05 0.30 -0.55 -2.11 0.00 0.00 174.94 172.93 1wfn s SER 108 N 1.34 6.17 0.62 4.50 0.15 -1.26 -0.03 113.70 125.19 1wfn s SER 108 Ca -0.09 0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.59 1wfn s SER 108 Cb -0.10 -2.18 -0.13 0.00 -1.71 0.00 0.00 66.02 61.91 1wfn s SER 108 CO -0.10 -0.13 -0.37 -1.54 1.20 0.00 0.00 173.24 172.30 1wfn n SER 109 N 5.20 -4.07 0.00 5.45 3.41 0.64 -4.85 113.62 119.41 1wfn n SER 109 Ca -0.11 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1wfn n SER 109 Cb 0.51 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 2.53 -0.67 3.64 5.00 0.00 0.31 -4.38 105.19 111.62 1wfn n GLY 110 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1wfn n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfn s VAL 111 N 0.00 0.00 -0.03 1.61 0.11 0.10 -4.48 120.40 117.72 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 -0.23 4.37 -0.47 1.54 0.04 -1.26 -3.94 135.00 135.04 1wfn s PRO 112 Ca 0.07 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 1wfn s PRO 112 Cb -0.04 -3.51 -0.15 0.00 0.04 0.00 0.00 34.50 30.84 1wfn s PRO 112 CO -0.12 -0.40 2.70 -0.35 0.04 0.00 0.00 177.00 178.87 1wfn n PRO 113 N 4.89 1.99 0.00 0.56 -0.04 -1.26 -4.34 135.00 136.80 1wfn n PRO 113 Ca 0.10 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1wfn n PRO 113 Cb 0.46 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1wfn n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfn n SER 114 N 3.13 0.00 -4.73 3.54 2.88 -1.26 -5.02 113.62 112.17 1wfn n SER 114 Ca 0.43 0.13 -0.22 0.00 -1.33 0.00 0.00 58.87 57.87 1wfn n SER 114 Cb 0.49 -0.26 -0.06 0.00 -0.75 0.00 0.00 64.21 63.63 1wfn n SER 114 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfn s GLY 115 N -1.77 1.58 1.09 0.46 0.00 -1.26 -5.13 107.32 102.28 1wfn s GLY 115 Ca 0.00 -1.57 -0.18 0.00 0.00 0.00 0.00 44.72 42.97 1wfn s GLY 115 CO 0.00 -1.62 1.22 2.56 0.00 0.00 0.00 173.10 175.26 1wfn s PRO 116 N -3.76 -0.32 -0.18 2.90 0.04 -1.26 -5.06 135.00 127.36 1wfn s PRO 116 Ca 0.33 -0.25 -0.28 0.00 0.04 0.00 0.00 61.00 60.84 1wfn s PRO 116 Cb -0.07 -1.72 0.08 0.00 0.04 0.00 0.00 34.50 32.84 1wfn s PRO 116 CO 0.22 -3.08 0.78 -1.54 0.04 0.00 0.00 177.00 173.42 1wfn s SER 117 N -4.40 -0.64 -0.33 6.66 1.04 -1.26 -5.14 113.70 109.64 1wfn s SER 117 Ca 0.73 1.00 -0.05 0.00 0.48 0.00 0.00 55.95 58.10 1wfn s SER 117 Cb -0.07 0.93 0.05 0.00 0.10 0.00 0.00 66.02 67.03 1wfn s SER 117 CO 0.54 -0.38 0.08 -0.44 0.98 0.00 0.00 173.24 174.03 1wfn s SER 118 N -0.37 5.19 0.00 7.02 0.01 -1.26 -5.31 113.70 118.98 1wfn s SER 118 Ca -0.04 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1wfn s SER 118 Cb -0.03 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.38 1wfn s SER 118 CO 0.03 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.97