#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 4.71 -0.29 1.61 1.04 -1.26 -5.14 113.70 114.37 1wfn s SER 2 Ca 0.00 -0.95 -0.16 0.00 0.48 0.00 0.00 55.95 55.32 1wfn s SER 2 Cb 0.00 -0.45 0.17 0.00 0.10 0.00 0.00 66.02 65.84 1wfn s SER 2 CO 0.00 -0.63 1.06 -0.44 0.98 0.00 0.00 173.24 174.21 1wfn s SER 3 N -4.03 -0.38 0.00 7.02 0.01 -1.26 -5.16 113.70 109.90 1wfn s SER 3 Ca 0.43 0.60 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1wfn s SER 3 Cb 0.00 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.42 1wfn s SER 3 CO 0.25 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1wfn n GLY 4 N 3.62 2.15 3.64 3.44 0.00 -1.26 -5.18 105.19 111.60 1wfn n GLY 4 Ca -0.17 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -0.69 0.13 1.61 0.01 -1.26 -5.05 113.70 108.45 1wfn s SER 5 Ca 0.00 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1wfn s SER 5 Cb 0.00 1.26 0.00 0.00 0.21 0.00 0.00 66.02 67.49 1wfn s SER 5 CO 0.00 -0.20 0.00 -1.54 0.41 0.00 0.00 173.24 171.91 1wfn n SER 6 N 3.16 -1.18 0.00 2.44 3.41 -1.26 -5.17 113.62 115.03 1wfn n SER 6 Ca -0.16 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1wfn n SER 6 Cb 0.57 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 1wfn n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfn n GLY 7 N -1.14 -1.13 3.76 5.00 0.00 -1.26 -5.05 105.19 105.37 1wfn n GLY 7 Ca 0.00 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 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 -5.58 -0.46 0.43 1.61 0.04 -1.26 -5.02 135.00 124.76 1wfn s PRO 8 Ca 0.00 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1wfn s PRO 8 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1wfn s PRO 8 CO 0.00 -3.17 0.00 1.04 0.04 0.00 0.00 177.00 174.91 1wfn n GLN 9 N -4.32 0.00 -4.29 4.56 6.02 -1.26 -5.16 117.38 112.93 1wfn n GLN 9 Ca 0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.93 1wfn n GLN 9 Cb 0.59 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.78 1wfn n GLN 9 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wfn n LEU 10 N -3.42 0.00 -4.88 1.08 4.77 -1.26 -5.17 117.00 108.11 1wfn n LEU 10 Ca 0.00 -3.17 -0.21 0.00 -0.03 0.00 0.00 56.01 52.60 1wfn n LEU 10 Cb 0.00 1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 42.57 1wfn n LEU 10 CO 0.00 -0.52 -0.06 0.54 -1.33 0.00 0.00 177.39 176.02 1wfn s VAL 11 N -3.29 3.87 1.03 4.08 0.11 -1.26 -5.12 120.40 119.82 1wfn s VAL 11 Ca 0.35 -1.27 -0.16 0.00 -2.93 0.00 0.00 61.98 57.96 1wfn s VAL 11 Cb 0.02 -3.30 0.22 0.00 -1.53 0.00 0.00 36.38 31.78 1wfn s VAL 11 CO 0.25 -0.20 1.22 -0.13 -3.33 0.00 0.00 175.10 172.90 1wfn s ARG 12 N -4.01 0.11 0.00 1.54 0.52 -1.26 -5.10 118.95 110.76 1wfn s ARG 12 Ca 0.40 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 1wfn s ARG 12 Cb -0.07 -1.76 0.00 0.00 0.52 0.00 0.00 34.95 33.64 1wfn s ARG 12 CO 0.27 -2.80 0.00 0.25 0.02 0.00 0.00 175.30 173.04 1wfn n THR 13 N -4.09 0.00 -0.29 0.02 -2.24 -1.26 -5.15 114.28 101.27 1wfn n THR 13 Ca 0.13 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.64 1wfn n THR 13 Cb 0.59 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 69.09 1wfn n THR 13 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1wfn n HIS 14 N 0.00 -3.49 0.00 4.78 -0.00 -1.26 -5.05 115.22 110.20 1wfn n HIS 14 Ca 0.00 -0.63 0.00 0.00 0.46 0.00 0.00 57.72 57.55 1wfn n HIS 14 Cb 0.00 -1.35 0.00 0.00 -0.12 0.00 0.00 29.99 28.52 1wfn n HIS 14 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1wfn n GLU 15 N -4.88 0.00 -0.30 1.57 1.02 -1.26 -5.02 120.64 111.77 1wfn n GLU 15 Ca 0.12 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.39 1wfn n GLU 15 Cb 0.53 0.00 0.30 0.00 -0.02 0.00 0.00 31.44 32.25 1wfn n GLU 15 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1wfn h ASP 16 N 0.00 0.10 -4.11 1.62 1.82 -1.97 -3.40 116.42 110.49 1wfn h ASP 16 Ca 0.00 0.18 -0.48 0.00 -0.39 0.00 0.00 57.03 56.35 1wfn h ASP 16 Cb 0.00 0.23 0.14 0.00 0.68 0.00 0.00 39.33 40.37 1wfn h ASP 16 CO 0.00 -0.11 0.26 0.68 -1.61 0.00 0.00 179.24 178.46 1wfn s VAL 17 N -5.92 2.57 1.09 2.25 -7.23 -1.26 -4.53 120.40 107.37 1wfn s VAL 17 Ca -0.12 0.18 -0.18 0.00 -1.81 0.00 0.00 61.98 60.06 1wfn s VAL 17 Cb 0.26 -2.76 0.25 0.00 0.56 0.00 0.00 36.38 34.69 1wfn s VAL 17 CO 0.77 -0.24 1.23 -2.16 -0.31 0.00 0.00 175.10 174.39 1wfn s PRO 18 N -5.03 -0.36 0.00 4.82 0.04 -1.25 -4.66 135.00 128.56 1wfn s PRO 18 Ca 0.63 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1wfn s PRO 18 Cb -0.17 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1wfn s PRO 18 CO 0.56 -3.11 0.00 0.41 0.04 0.00 0.00 177.00 174.90 1wfn n GLY 19 N -2.41 3.25 3.74 0.56 0.00 -1.18 -1.96 105.19 107.19 1wfn n GLY 19 Ca 0.15 -1.92 -0.41 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 3.04 4.59 1.47 1.61 0.04 -1.26 -3.86 135.00 140.61 1wfn s PRO 20 Ca 0.00 1.75 -0.24 0.00 0.04 0.00 0.00 61.00 62.55 1wfn s PRO 20 Cb 0.00 -3.26 0.38 0.00 0.04 0.00 0.00 34.50 31.66 1wfn s PRO 20 CO 0.00 0.07 0.91 0.14 0.04 0.00 0.00 177.00 178.16 1wfn s VAL 21 N -0.33 1.08 0.00 -0.36 -7.23 -1.26 -4.55 120.40 107.75 1wfn s VAL 21 Ca 0.49 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 1wfn s VAL 21 Cb -0.30 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1wfn s VAL 21 CO 0.36 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.76 1wfn n GLY 22 N 1.59 -0.77 3.20 2.32 0.00 -0.96 -4.81 105.19 105.75 1wfn n GLY 22 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.63 0.22 1.61 -3.43 -1.26 -4.90 115.29 106.90 1wfn s HIS 23 Ca 0.00 1.28 -0.32 0.00 -0.80 0.00 0.00 55.06 55.22 1wfn s HIS 23 Cb 0.00 0.20 -0.14 0.00 -1.43 0.00 0.00 32.58 31.22 1wfn s HIS 23 CO 0.00 -0.40 1.45 1.28 -2.00 0.00 0.00 174.74 175.08 1wfn n LEU 24 N 4.97 3.09 -4.16 5.38 7.99 -1.26 -4.37 117.00 128.64 1wfn n LEU 24 Ca -0.14 1.13 -0.11 0.00 -0.01 0.00 0.00 56.01 56.88 1wfn n LEU 24 Cb 0.51 -1.43 -0.10 0.00 -0.11 0.00 0.00 43.42 42.30 1wfn n LEU 24 CO 0.04 -0.44 -0.24 -0.55 -1.51 0.00 0.00 177.39 174.69 1wfn s SER 25 N 0.45 0.21 0.11 -1.43 0.15 0.12 -4.96 113.70 108.35 1wfn s SER 25 Ca 0.71 -1.26 -0.15 0.00 0.70 0.00 0.00 55.95 55.94 1wfn s SER 25 Cb -0.66 0.35 0.03 0.00 -1.71 0.00 0.00 66.02 64.03 1wfn s SER 25 CO 0.47 -0.80 0.38 -0.36 1.20 0.00 0.00 173.24 174.12 1wfn s PHE 26 N -4.09 -0.17 -0.07 3.44 0.08 -1.26 0.07 117.98 115.98 1wfn s PHE 26 Ca 0.31 -0.13 -0.30 0.00 0.12 0.00 0.00 56.93 56.92 1wfn s PHE 26 Cb 0.07 0.21 0.09 0.00 -0.57 0.00 0.00 43.02 42.82 1wfn s PHE 26 CO 0.07 -0.67 0.79 -1.12 -0.10 0.00 0.00 175.22 174.19 1wfn s SER 27 N -2.71 -0.54 -1.06 1.36 0.01 0.64 -4.92 113.70 106.47 1wfn s SER 27 Ca 0.02 0.52 -0.01 0.00 1.31 0.00 0.00 55.95 57.79 1wfn s SER 27 Cb 0.02 0.46 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 1wfn s SER 27 CO -0.11 -0.55 0.89 -0.62 0.41 0.00 0.00 173.24 173.26 1wfn n GLU 28 N 0.69 -5.31 -2.90 12.44 -0.58 -1.26 -2.25 120.64 121.47 1wfn n GLU 28 Ca -0.15 0.77 -0.40 0.00 -0.42 0.00 0.00 57.16 56.96 1wfn n GLU 28 Cb 0.58 -5.52 -0.06 0.00 -0.57 0.00 0.00 31.44 25.88 1wfn n GLU 28 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wfn s ILE 29 N -3.33 4.42 0.00 -3.67 1.01 -1.26 -4.19 121.20 114.18 1wfn s ILE 29 Ca 0.07 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.53 1wfn s ILE 29 Cb -0.01 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1wfn s ILE 29 CO 0.66 0.45 0.00 0.18 0.00 0.00 0.00 174.94 176.23 1wfn n LEU 30 N 2.04 0.00 -0.03 2.97 7.99 0.23 -4.56 117.00 125.65 1wfn n LEU 30 Ca -0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.94 1wfn n LEU 30 Cb 0.49 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.75 1wfn n LEU 30 CO 0.48 0.00 -0.69 -0.90 -1.51 0.00 0.00 177.39 174.76 1wfn n ASP 31 N 0.00 3.57 -0.33 -1.43 5.75 -1.25 0.14 116.55 122.99 1wfn n ASP 31 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1wfn n ASP 31 Cb 0.00 0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 -2.29 0.00 -3.77 2.12 -2.24 -1.26 -1.91 114.28 104.93 1wfn n THR 32 Ca -0.10 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1wfn n THR 32 Cb 0.68 0.62 -0.12 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.60 -0.25 -0.09 3.42 1.04 -1.26 -1.88 113.70 114.09 1wfn s SER 33 Ca 0.00 0.49 -0.30 0.00 0.48 0.00 0.00 55.95 56.62 1wfn s SER 33 Cb 0.00 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.65 1wfn s SER 33 CO 0.00 -0.11 0.69 -1.48 0.98 0.00 0.00 173.24 173.32 1wfn s LEU 34 N 0.45 -0.67 -0.12 2.42 0.05 -0.15 0.78 118.68 121.44 1wfn s LEU 34 Ca -0.03 0.84 -0.05 0.00 0.05 0.00 0.00 54.13 54.94 1wfn s LEU 34 Cb -0.04 2.52 -0.04 0.00 -2.05 0.00 0.00 46.19 46.58 1wfn s LEU 34 CO -0.02 -0.55 0.07 -0.75 -0.55 0.00 0.00 176.35 174.55 1wfn s LYS 35 N -0.93 3.33 0.21 1.48 2.36 -0.95 0.23 119.74 125.46 1wfn s LYS 35 Ca -0.09 -0.29 0.07 0.00 -2.55 0.00 0.00 55.97 53.12 1wfn s LYS 35 Cb -0.01 -3.02 -0.04 0.00 -1.05 0.00 0.00 37.83 33.71 1wfn s LYS 35 CO 0.08 0.66 0.06 0.54 1.55 0.00 0.00 175.35 178.25 1wfn s VAL 36 N -0.74 3.92 -0.16 4.02 0.11 0.45 -0.26 120.40 127.75 1wfn s VAL 36 Ca 0.12 -1.48 -0.08 0.00 -2.93 0.00 0.00 61.98 57.62 1wfn s VAL 36 Cb -0.12 -3.04 0.06 0.00 -1.53 0.00 0.00 36.38 31.75 1wfn s VAL 36 CO 0.03 -0.22 0.36 -0.94 -3.33 0.00 0.00 175.10 171.00 1wfn s SER 37 N -3.32 -0.36 0.00 3.54 1.04 0.11 -0.66 113.70 114.05 1wfn s SER 37 Ca 0.30 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1wfn s SER 37 Cb -0.08 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1wfn s SER 37 CO 0.21 -0.20 0.00 -2.67 0.98 0.00 0.00 173.24 171.56 1wfn n TRP 38 N 4.48 0.00 -4.39 5.02 2.14 0.25 0.14 117.44 125.08 1wfn n TRP 38 Ca -0.21 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.14 1wfn n TRP 38 Cb 0.54 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.95 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 -1.63 1.84 0.12 -2.67 -1.52 -1.26 -4.76 119.66 109.79 1wfn s GLN 39 Ca 0.00 -2.10 -0.29 0.00 -1.95 0.00 0.00 55.36 51.02 1wfn s GLN 39 Cb 0.00 -0.09 -0.06 0.00 -0.22 0.00 0.00 33.01 32.64 1wfn s GLN 39 CO 0.00 -0.58 0.92 -1.21 -0.25 0.00 0.00 175.29 174.17 1wfn s GLU 40 N -3.56 4.68 0.50 2.91 2.02 -1.26 -2.26 118.70 121.73 1wfn s GLU 40 Ca 0.32 1.39 -0.19 0.00 0.02 0.00 0.00 54.97 56.51 1wfn s GLU 40 Cb 0.02 -3.36 -0.08 0.00 0.10 0.00 0.00 34.13 30.82 1wfn s GLU 40 CO 0.22 0.27 1.04 -1.25 0.02 0.00 0.00 175.26 175.56 1wfn s PRO 41 N -0.18 3.73 0.00 0.39 0.04 -1.26 -4.10 135.00 133.61 1wfn s PRO 41 Ca 0.45 1.33 0.27 0.00 0.04 0.00 0.00 61.00 63.08 1wfn s PRO 41 Cb -0.23 -2.09 0.93 0.00 0.04 0.00 0.00 34.50 33.16 1wfn s PRO 41 CO 0.29 -0.49 1.71 0.41 0.04 0.00 0.00 177.00 178.96 1wfn n GLY 42 N -0.40 -1.32 1.99 0.56 0.00 -1.26 -3.59 105.19 101.17 1wfn n GLY 42 Ca 0.09 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.43 2.81 -0.68 1.61 0.28 -1.26 -4.74 120.64 117.23 1wfn n GLU 43 Ca 0.07 -3.55 0.52 0.00 -0.16 0.00 0.00 57.16 54.04 1wfn n GLU 43 Cb 0.33 -2.19 0.80 0.00 1.43 0.00 0.00 31.44 31.82 1wfn n GLU 43 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wfn n LYS 44 N -0.91 -0.00 -2.99 3.44 5.02 -1.24 -3.12 118.16 118.37 1wfn n LYS 44 Ca 0.51 1.09 -0.11 0.00 -2.02 0.00 0.00 58.31 57.78 1wfn n LYS 44 Cb 0.92 -2.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.43 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 -3.97 -1.19 0.00 4.39 3.02 -1.26 -3.78 115.26 112.46 1wfn n ASN 45 Ca 0.44 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1wfn n ASN 45 Cb 1.96 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 40.00 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 -0.63 2.45 3.69 7.41 0.00 -1.26 -4.59 105.19 112.25 1wfn n GLY 46 Ca 0.03 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.79 4.02 0.04 -0.61 -1.09 -1.26 -4.97 121.20 115.53 1wfn s ILE 47 Ca 0.00 1.37 -0.30 0.00 -2.23 0.00 0.00 60.65 59.49 1wfn s ILE 47 Cb 0.00 -3.88 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 1wfn s ILE 47 CO 0.00 0.00 1.27 -0.76 -1.23 0.00 0.00 174.94 174.22 1wfn s LEU 48 N 2.21 4.35 -0.00 2.97 1.43 -1.26 -3.32 118.68 125.05 1wfn s LEU 48 Ca 0.59 2.05 0.22 0.00 -1.03 0.00 0.00 54.13 55.96 1wfn s LEU 48 Cb -0.28 -3.57 -0.23 0.00 0.03 0.00 0.00 46.19 42.14 1wfn s LEU 48 CO 0.24 -0.56 0.74 0.35 0.23 0.00 0.00 176.35 177.35 1wfn n THR 49 N 4.17 0.03 -1.04 5.49 -2.24 0.55 -4.66 114.28 116.57 1wfn n THR 49 Ca 0.10 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1wfn n THR 49 Cb 0.45 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.27 3.11 3.38 0.00 -0.16 -3.76 105.19 106.87 1wfn n GLY 50 Ca 0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.27 1.24 -0.34 1.61 2.02 0.47 0.21 117.35 120.28 1wfn s TYR 51 Ca 0.00 -0.24 -0.08 0.00 -0.37 0.00 0.00 57.07 56.37 1wfn s TYR 51 Cb 0.00 -0.79 0.03 0.00 -0.40 0.00 0.00 41.96 40.80 1wfn s TYR 51 CO 0.00 -0.02 0.14 0.50 -1.57 0.00 0.00 175.55 174.61 1wfn s ARG 52 N -0.40 2.81 -0.04 -0.62 3.52 0.36 0.15 118.95 124.73 1wfn s ARG 52 Ca 0.05 -1.07 -0.03 0.00 -0.13 0.00 0.00 55.73 54.55 1wfn s ARG 52 Cb -0.06 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1wfn s ARG 52 CO -0.00 -0.63 0.13 -1.50 -0.81 0.00 0.00 175.30 172.48 1wfn s ILE 53 N 1.49 5.15 -0.19 4.11 2.07 -0.93 0.96 121.20 133.85 1wfn s ILE 53 Ca 0.01 -0.16 -0.04 0.00 -1.41 0.00 0.00 60.65 59.05 1wfn s ILE 53 Cb -0.19 -3.33 0.10 0.00 0.13 0.00 0.00 42.46 39.17 1wfn s ILE 53 CO 0.04 0.42 0.31 -0.44 -1.91 0.00 0.00 174.94 173.37 1wfn s SER 54 N -1.58 0.51 0.10 4.50 0.01 0.14 -2.11 113.70 115.26 1wfn s SER 54 Ca 0.22 0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.81 1wfn s SER 54 Cb -0.12 0.84 -0.04 0.00 0.21 0.00 0.00 66.02 66.90 1wfn s SER 54 CO 0.12 -0.28 0.17 -1.66 0.41 0.00 0.00 173.24 172.00 1wfn s TRP 55 N 2.46 3.36 -0.15 2.43 -2.14 -1.26 0.99 118.94 124.63 1wfn s TRP 55 Ca 0.06 0.14 -0.31 0.00 2.66 0.00 0.00 56.10 58.65 1wfn s TRP 55 Cb -0.14 -1.67 0.13 0.00 -3.10 0.00 0.00 33.47 28.70 1wfn s TRP 55 CO -0.12 0.55 1.06 -1.83 -2.66 0.00 0.00 176.95 173.94 1wfn s GLU 56 N -2.68 0.51 0.95 3.25 -1.05 -0.86 -2.08 118.70 116.75 1wfn s GLU 56 Ca 0.33 0.00 -0.12 0.00 -0.15 0.00 0.00 54.97 55.02 1wfn s GLU 56 Cb -0.12 0.24 0.19 0.00 -0.44 0.00 0.00 34.13 34.00 1wfn s GLU 56 CO 0.26 -0.19 0.43 0.39 0.95 0.00 0.00 175.26 177.10 1wfn n GLU 57 N 0.38 -1.51 0.23 -4.83 1.02 -1.24 0.19 120.64 114.87 1wfn n GLU 57 Ca -0.07 -0.72 -0.12 0.00 -0.02 0.00 0.00 57.16 56.23 1wfn n GLU 57 Cb 0.59 -1.39 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 1wfn n GLU 57 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1wfn h TYR 58 N -2.79 -0.90 -2.12 -0.32 3.20 -0.34 -3.25 116.97 110.44 1wfn h TYR 58 Ca -0.19 0.00 -0.56 0.00 3.14 0.00 0.00 58.73 61.12 1wfn h TYR 58 Cb 0.66 0.34 -0.41 0.00 1.54 0.00 0.00 36.73 38.86 1wfn h TYR 58 CO 0.00 -0.46 -0.89 -1.71 -1.64 0.00 0.00 178.16 173.47 1wfn n ASN 59 N -4.40 2.32 -3.28 -2.11 2.85 -1.26 -4.78 115.26 104.60 1wfn n ASN 59 Ca -0.09 -3.21 -0.06 0.00 -0.11 0.00 0.00 54.58 51.12 1wfn n ASN 59 Cb 0.31 -0.62 -0.05 0.00 1.24 0.00 0.00 39.78 40.66 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 -2.40 0.43 0.11 1.20 0.52 -1.26 -5.01 118.95 112.55 1wfn s ARG 60 Ca 0.41 0.42 -0.05 0.00 -0.52 0.00 0.00 55.73 55.99 1wfn s ARG 60 Cb 0.24 -0.18 -0.15 0.00 0.52 0.00 0.00 34.95 35.38 1wfn s ARG 60 CO -0.09 -0.86 1.26 1.15 0.02 0.00 0.00 175.30 176.78 1wfn h THR 61 N 6.13 1.41 -0.24 0.02 2.02 -1.94 -3.07 112.91 117.23 1wfn h THR 61 Ca -0.13 -2.56 0.07 0.00 0.77 0.00 0.00 66.41 64.56 1wfn h THR 61 Cb 1.14 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 70.08 1wfn h THR 61 CO 0.25 0.76 0.47 0.78 0.37 0.00 0.00 175.52 178.16 1wfn h ASN 62 N 0.21 0.00 -0.77 4.18 2.35 -2.01 1.54 115.58 121.08 1wfn h ASN 62 Ca -0.10 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.32 1wfn h ASN 62 Cb 1.68 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.86 1wfn h ASN 62 CO 0.18 0.00 0.37 0.35 -1.65 0.00 0.00 177.43 176.68 1wfn n THR 63 N -3.26 2.97 -3.98 2.81 -2.24 -1.16 -4.95 114.28 104.47 1wfn n THR 63 Ca 0.04 -1.93 -0.33 0.00 -2.27 0.00 0.00 64.05 59.56 1wfn n THR 63 Cb 0.59 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 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 -3.15 3.29 0.26 -0.78 3.52 0.53 -4.04 118.95 118.57 1wfn s ARG 64 Ca 0.54 -0.37 0.11 0.00 -0.13 0.00 0.00 55.73 55.88 1wfn s ARG 64 Cb 0.45 -3.01 -0.05 0.00 -1.56 0.00 0.00 34.95 30.78 1wfn s ARG 64 CO 0.10 0.67 -0.19 0.54 -0.81 0.00 0.00 175.30 175.62 1wfn s VAL 65 N -1.24 2.28 -0.20 7.11 0.11 -0.88 -5.00 120.40 122.58 1wfn s VAL 65 Ca 0.24 -2.35 0.00 0.00 -2.93 0.00 0.00 61.98 56.94 1wfn s VAL 65 Cb -0.12 -2.23 0.05 0.00 -1.53 0.00 0.00 36.38 32.54 1wfn s VAL 65 CO 0.15 -0.45 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.51 1wfn s THR 66 N -2.62 1.45 0.14 5.04 2.01 -1.26 -4.01 115.64 116.38 1wfn s THR 66 Ca 0.28 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.41 1wfn s THR 66 Cb -0.04 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1wfn s THR 66 CO 0.13 0.10 -0.13 -1.00 -0.69 0.00 0.00 174.62 173.03 1wfn s HIS 67 N 1.47 1.39 -0.04 4.92 3.76 -0.90 -5.05 115.29 120.85 1wfn s HIS 67 Ca -0.01 -0.62 0.04 0.00 -0.15 0.00 0.00 55.06 54.31 1wfn s HIS 67 Cb -0.16 -0.71 0.00 0.00 1.11 0.00 0.00 32.58 32.82 1wfn s HIS 67 CO -0.08 0.15 -0.15 0.71 -0.85 0.00 0.00 174.74 174.53 1wfn s TYR 68 N -2.63 1.49 0.23 1.40 2.02 -1.26 -2.19 117.35 116.40 1wfn s TYR 68 Ca 0.13 -0.43 0.09 0.00 -0.37 0.00 0.00 57.07 56.49 1wfn s TYR 68 Cb -0.02 -1.02 -0.05 0.00 -0.40 0.00 0.00 41.96 40.47 1wfn s TYR 68 CO 0.03 -0.16 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.18 1wfn s LEU 69 N 0.14 2.57 1.04 -1.29 1.43 0.40 -4.95 118.68 118.02 1wfn s LEU 69 Ca -0.05 -1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 51.86 1wfn s LEU 69 Cb -0.11 -0.80 0.22 0.00 0.03 0.00 0.00 46.19 45.53 1wfn s LEU 69 CO 0.02 -0.11 1.20 -2.16 0.23 0.00 0.00 176.35 175.53 1wfn s PRO 70 N -3.61 0.02 -0.07 1.29 0.04 -1.26 0.18 135.00 131.59 1wfn s PRO 70 Ca 0.25 -0.13 0.04 0.00 0.04 0.00 0.00 61.00 61.20 1wfn s PRO 70 Cb -0.02 -1.75 0.23 0.00 0.04 0.00 0.00 34.50 33.01 1wfn s PRO 70 CO 0.09 -2.87 0.87 0.27 0.04 0.00 0.00 177.00 175.40 1wfn n ASN 71 N -4.15 2.39 -0.00 6.66 6.94 -1.25 -2.96 115.26 122.89 1wfn n ASN 71 Ca 0.13 -2.27 0.02 0.00 -0.02 0.00 0.00 54.58 52.43 1wfn n ASN 71 Cb 0.59 -0.56 -0.03 0.00 -2.36 0.00 0.00 39.78 37.43 1wfn n ASN 71 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1wfn n VAL 72 N 0.17 0.00 -4.00 3.53 0.24 -1.26 -4.96 118.33 112.06 1wfn n VAL 72 Ca 0.08 -0.08 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 1wfn n VAL 72 Cb 0.53 0.42 -0.09 0.00 -1.47 0.00 0.00 33.84 33.23 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 -2.25 4.94 0.00 3.34 2.01 -1.16 -4.94 115.64 117.57 1wfn s THR 73 Ca -0.01 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1wfn s THR 73 Cb 0.02 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.34 1wfn s THR 73 CO 0.15 0.51 0.35 0.18 -0.69 0.00 0.00 174.62 175.13 1wfn n LEU 74 N 3.02 0.71 -4.07 4.42 4.77 -1.26 -4.73 117.00 119.86 1wfn n LEU 74 Ca -0.17 -0.75 -0.17 0.00 -0.03 0.00 0.00 56.01 54.89 1wfn n LEU 74 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 1wfn n LEU 74 CO 0.34 0.18 -0.43 -1.83 -1.33 0.00 0.00 177.39 174.31 1wfn s GLU 75 N -0.08 0.71 0.04 3.23 1.03 -1.26 0.85 118.70 123.21 1wfn s GLU 75 Ca 0.00 -0.60 -0.07 0.00 0.03 0.00 0.00 54.97 54.33 1wfn s GLU 75 Cb 0.00 -0.64 -0.01 0.00 -0.80 0.00 0.00 34.13 32.68 1wfn s GLU 75 CO 0.00 0.16 0.13 -0.47 -1.33 0.00 0.00 175.26 173.74 1wfn s TYR 76 N -0.78 0.14 -0.26 4.83 6.14 0.17 -4.92 117.35 122.66 1wfn s TYR 76 Ca -0.01 -0.40 -0.11 0.00 0.64 0.00 0.00 57.07 57.19 1wfn s TYR 76 Cb -0.07 -0.10 -0.05 0.00 0.42 0.00 0.00 41.96 42.16 1wfn s TYR 76 CO 0.01 -0.38 0.17 0.50 0.64 0.00 0.00 175.55 176.49 1wfn s ARG 77 N -2.48 3.99 0.03 4.97 3.00 -1.26 0.17 118.95 127.37 1wfn s ARG 77 Ca -0.06 -0.30 -0.12 0.00 -1.00 0.00 0.00 55.73 54.25 1wfn s ARG 77 Cb -0.02 -3.60 -0.06 0.00 0.00 0.00 0.00 34.95 31.28 1wfn s ARG 77 CO -0.04 -0.08 0.39 0.08 0.00 0.00 0.00 175.30 175.65 1wfn s VAL 78 N 1.46 5.08 0.06 7.11 1.01 0.61 -4.93 120.40 130.81 1wfn s VAL 78 Ca 0.07 0.62 -0.13 0.00 0.00 0.00 0.00 61.98 62.54 1wfn s VAL 78 Cb -0.15 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1wfn s VAL 78 CO 0.08 0.43 0.28 0.42 0.00 0.00 0.00 175.10 176.32 1wfn s THR 79 N -1.24 0.09 0.00 3.92 -4.23 -1.26 -0.98 115.64 111.95 1wfn s THR 79 Ca 0.28 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1wfn s THR 79 Cb -0.15 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.67 1wfn s THR 79 CO 0.15 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1wfn n GLY 80 N 0.40 0.98 0.00 3.99 0.00 -0.79 -4.99 105.19 104.78 1wfn n GLY 80 Ca -0.18 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.06 0.00 -4.20 0.99 4.77 -0.93 -5.08 117.00 112.49 1wfn n LEU 81 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1wfn n LEU 81 Cb 0.31 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 1wfn n LEU 81 CO 0.00 0.00 -0.44 -0.89 -1.33 0.00 0.00 177.39 174.73 1wfn s THR 82 N 2.21 1.15 0.35 -5.08 2.01 -1.25 -4.76 115.64 110.26 1wfn s THR 82 Ca 0.00 -1.53 -0.27 0.00 0.31 0.00 0.00 61.69 60.20 1wfn s THR 82 Cb 0.00 -1.30 -0.09 0.00 0.01 0.00 0.00 72.50 71.12 1wfn s THR 82 CO 0.00 -0.37 1.14 0.00 -0.69 0.00 0.00 174.62 174.70 1wfn s ALA 83 N -1.86 3.28 -1.25 7.40 0.00 -0.80 -3.49 121.76 125.03 1wfn s ALA 83 Ca 0.04 0.93 -0.28 0.00 0.00 0.00 0.00 51.96 52.65 1wfn s ALA 83 Cb -0.07 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1wfn s ALA 83 CO 0.02 -0.35 0.52 1.28 0.00 0.00 0.00 175.76 177.23 1wfn n LEU 84 N 0.55 -0.27 -3.99 0.00 4.77 -1.26 -4.93 117.00 111.87 1wfn n LEU 84 Ca 0.02 -1.27 -0.18 0.00 -0.03 0.00 0.00 56.01 54.54 1wfn n LEU 84 Cb 0.46 -1.54 -0.15 0.00 -2.33 0.00 0.00 43.42 39.86 1wfn n LEU 84 CO 0.52 0.74 -0.42 -0.89 -1.33 0.00 0.00 177.39 176.01 1wfn s THR 85 N -3.74 0.62 -0.06 -5.08 2.01 -1.23 -4.91 115.64 103.26 1wfn s THR 85 Ca 0.38 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 1wfn s THR 85 Cb -0.21 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 1wfn s THR 85 CO 0.96 0.18 1.06 -0.89 -0.69 0.00 0.00 174.62 175.24 1wfn s THR 86 N -0.06 4.62 0.05 -0.82 2.01 -1.26 -0.96 115.64 119.22 1wfn s THR 86 Ca 0.01 1.90 0.04 0.00 0.31 0.00 0.00 61.69 63.95 1wfn s THR 86 Cb -0.04 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 1wfn s THR 86 CO -0.00 0.05 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.54 1wfn s TYR 87 N 1.76 1.05 -0.24 4.92 2.02 0.19 0.43 117.35 127.48 1wfn s TYR 87 Ca 0.52 -0.41 -0.00 0.00 -0.37 0.00 0.00 57.07 56.81 1wfn s TYR 87 Cb -0.21 -0.61 0.04 0.00 -0.40 0.00 0.00 41.96 40.77 1wfn s TYR 87 CO 0.22 0.02 -0.09 0.99 -1.57 0.00 0.00 175.55 175.11 1wfn s THR 88 N -1.08 2.57 -0.26 -0.71 2.01 0.50 0.17 115.64 118.83 1wfn s THR 88 Ca -0.02 -1.19 -0.14 0.00 0.31 0.00 0.00 61.69 60.64 1wfn s THR 88 Cb -0.09 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1wfn s THR 88 CO 0.01 0.17 0.34 -0.63 -0.69 0.00 0.00 174.62 173.83 1wfn s ILE 89 N 1.26 5.20 -0.29 1.82 -1.09 -0.90 -2.02 121.20 125.18 1wfn s ILE 89 Ca -0.02 0.51 -0.09 0.00 -2.23 0.00 0.00 60.65 58.83 1wfn s ILE 89 Cb -0.17 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 1wfn s ILE 89 CO -0.06 0.18 0.13 -1.61 -1.23 0.00 0.00 174.94 172.36 1wfn s GLU 90 N 1.93 3.54 -0.28 2.79 2.02 0.28 -1.80 118.70 127.18 1wfn s GLU 90 Ca 0.14 -0.58 -0.07 0.00 0.02 0.00 0.00 54.97 54.48 1wfn s GLU 90 Cb -0.16 -3.50 -0.01 0.00 0.10 0.00 0.00 34.13 30.57 1wfn s GLU 90 CO 0.10 -0.30 0.08 0.08 0.02 0.00 0.00 175.26 175.24 1wfn s VAL 91 N 1.64 4.16 0.27 2.63 1.01 -0.32 0.24 120.40 130.03 1wfn s VAL 91 Ca 0.06 -0.47 0.11 0.00 0.00 0.00 0.00 61.98 61.67 1wfn s VAL 91 Cb -0.16 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1wfn s VAL 91 CO 0.06 0.18 -0.09 0.00 0.00 0.00 0.00 175.10 175.24 1wfn s ALA 92 N 1.56 2.97 0.05 5.51 0.00 0.27 -0.72 121.76 131.40 1wfn s ALA 92 Ca 0.04 -1.76 0.05 0.00 0.00 0.00 0.00 51.96 50.29 1wfn s ALA 92 Cb -0.16 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 1wfn s ALA 92 CO 0.03 0.27 -0.06 0.00 0.00 0.00 0.00 175.76 176.00 1wfn s ALA 93 N -2.41 3.06 -0.09 0.00 0.00 -1.25 0.13 121.76 121.19 1wfn s ALA 93 Ca 0.31 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1wfn s ALA 93 Cb -0.06 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1wfn s ALA 93 CO 0.18 0.64 -0.19 -1.64 0.00 0.00 0.00 175.76 174.74 1wfn s MET 94 N -1.81 2.55 0.00 0.00 -1.94 0.57 -1.83 119.30 116.84 1wfn s MET 94 Ca 0.20 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 1wfn s MET 94 Cb -0.11 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.73 1wfn s MET 94 CO 0.11 0.09 0.00 0.25 -0.01 0.00 0.00 175.02 175.47 1wfn n THR 95 N 3.72 0.00 0.30 2.05 -2.24 0.20 0.20 114.28 118.52 1wfn n THR 95 Ca -0.20 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.77 1wfn n THR 95 Cb 0.52 0.00 0.85 0.00 -2.10 0.00 0.00 70.33 69.61 1wfn n THR 95 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1wfn h SER 96 N 0.00 0.00 0.00 3.42 4.64 -1.93 -3.00 113.55 116.68 1wfn h SER 96 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1wfn h SER 96 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1wfn h SER 96 CO 0.00 0.00 -0.66 0.11 -0.87 0.00 0.00 176.83 175.41 1wfn h LYS 97 N 0.00 0.00 0.00 4.77 1.79 -1.92 -3.51 116.57 117.70 1wfn h LYS 97 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wfn h LYS 97 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1wfn h LYS 97 CO 0.00 0.71 0.00 0.41 -1.08 0.00 0.00 179.45 179.49 1wfn n GLY 98 N 1.55 -0.64 3.78 3.86 0.00 -1.13 -5.06 105.19 107.54 1wfn n GLY 98 Ca -0.18 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.18 3.12 0.00 1.61 0.74 -1.26 0.62 119.66 123.31 1wfn s GLN 99 Ca 0.00 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.01 1wfn s GLN 99 Cb 0.00 -2.91 0.00 0.00 1.10 0.00 0.00 33.01 31.20 1wfn s GLN 99 CO 0.00 0.69 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 1wfn n GLY 100 N 1.58 5.46 3.10 2.59 0.00 -0.76 -4.82 105.19 112.35 1wfn n GLY 100 Ca -0.16 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.53 1wfn n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wfn n GLN 101 N 0.00 -0.43 -3.98 1.61 7.27 -0.83 -4.58 117.38 116.44 1wfn n GLN 101 Ca 0.00 -0.12 -0.10 0.00 0.07 0.00 0.00 57.00 56.86 1wfn n GLN 101 Cb 0.00 -1.24 -0.11 0.00 2.41 0.00 0.00 30.24 31.30 1wfn n GLN 101 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1wfn s VAL 102 N -2.09 0.13 -0.39 1.69 0.11 -1.26 -3.89 120.40 114.70 1wfn s VAL 102 Ca 0.43 -0.84 -0.03 0.00 -2.93 0.00 0.00 61.98 58.61 1wfn s VAL 102 Cb -0.02 -0.26 0.10 0.00 -1.53 0.00 0.00 36.38 34.67 1wfn s VAL 102 CO 0.69 -0.44 0.18 -0.44 -3.33 0.00 0.00 175.10 171.75 1wfn s SER 103 N -1.33 5.23 -0.31 3.54 0.01 0.11 -4.86 113.70 116.08 1wfn s SER 103 Ca -0.14 -1.87 -0.11 0.00 1.31 0.00 0.00 55.95 55.13 1wfn s SER 103 Cb -0.09 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.29 1wfn s SER 103 CO -0.01 -0.50 0.20 0.00 0.41 0.00 0.00 173.24 173.34 1wfn s ALA 104 N 1.18 3.44 -0.10 1.44 0.00 -1.25 -1.17 121.76 125.30 1wfn s ALA 104 Ca 0.06 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.77 1wfn s ALA 104 Cb -0.22 -2.52 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 1wfn s ALA 104 CO -0.03 -0.80 -0.22 -1.12 0.00 0.00 0.00 175.76 173.59 1wfn s SER 105 N 1.71 3.30 -0.01 0.00 0.01 -0.74 -4.91 113.70 113.04 1wfn s SER 105 Ca 0.06 -0.50 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 1wfn s SER 105 Cb -0.17 -1.36 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 1wfn s SER 105 CO 0.09 0.18 1.14 -0.89 0.41 0.00 0.00 173.24 174.17 1wfn s THR 106 N 0.24 4.36 -0.07 1.44 2.01 -1.26 -2.12 115.64 120.24 1wfn s THR 106 Ca -0.14 1.68 -0.03 0.00 0.31 0.00 0.00 61.69 63.50 1wfn s THR 106 Cb -0.17 -4.08 0.04 0.00 0.01 0.00 0.00 72.50 68.30 1wfn s THR 106 CO 0.07 0.07 0.16 -0.51 -0.69 0.00 0.00 174.62 173.72 1wfn s ILE 107 N 1.59 -0.10 -0.23 1.82 1.10 0.44 -4.96 121.20 120.86 1wfn s ILE 107 Ca 0.55 0.21 -0.11 0.00 -0.51 0.00 0.00 60.65 60.80 1wfn s ILE 107 Cb -0.25 -0.26 -0.05 0.00 0.15 0.00 0.00 42.46 42.05 1wfn s ILE 107 CO 0.25 0.09 0.18 -0.55 -2.11 0.00 0.00 174.94 172.80 1wfn s SER 108 N 1.42 6.15 0.59 4.50 0.15 -1.26 0.52 113.70 125.78 1wfn s SER 108 Ca -0.07 0.15 -0.17 0.00 0.70 0.00 0.00 55.95 56.56 1wfn s SER 108 Cb -0.12 -2.12 -0.15 0.00 -1.71 0.00 0.00 66.02 61.93 1wfn s SER 108 CO -0.06 0.06 -0.27 -1.54 1.20 0.00 0.00 173.24 172.63 1wfn n SER 109 N 4.27 -4.06 0.00 5.45 3.41 -0.14 -4.85 113.62 117.71 1wfn n SER 109 Ca -0.14 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1wfn n SER 109 Cb 0.52 -0.80 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 2.64 -1.48 3.65 5.00 0.00 0.36 -4.31 105.19 111.04 1wfn n GLY 110 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.14 0.00 -0.02 1.61 0.11 0.11 -4.52 120.40 117.54 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 -0.17 4.38 0.00 1.54 0.04 -1.26 -3.96 135.00 135.56 1wfn s PRO 112 Ca 0.07 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1wfn s PRO 112 Cb -0.04 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1wfn s PRO 112 CO -0.13 -0.39 0.00 -0.35 0.04 0.00 0.00 177.00 176.16 1wfn n PRO 113 N 4.84 0.76 -1.31 0.56 -0.04 -1.26 -4.95 135.00 133.60 1wfn n PRO 113 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1wfn n PRO 113 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.49 -1.74 0.00 3.54 2.88 -1.26 -5.04 113.62 111.51 1wfn n SER 114 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wfn n SER 114 Cb 0.00 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1wfn n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfn n GLY 115 N -0.04 0.53 3.81 0.46 0.00 -1.26 -5.09 105.19 103.59 1wfn n GLY 115 Ca 0.00 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.50 3.38 -0.04 1.61 0.04 -1.26 -5.07 135.00 132.16 1wfn s PRO 116 Ca 0.00 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.21 1wfn s PRO 116 Cb 0.00 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1wfn s PRO 116 CO 0.00 -0.76 -0.05 -1.54 0.04 0.00 0.00 177.00 174.69 1wfn s SER 117 N -2.88 0.96 -0.34 6.66 1.04 -1.26 -5.07 113.70 112.80 1wfn s SER 117 Ca 0.63 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.92 1wfn s SER 117 Cb -0.15 -0.42 0.19 0.00 0.10 0.00 0.00 66.02 65.74 1wfn s SER 117 CO 0.37 -0.03 0.78 -0.55 0.98 0.00 0.00 173.24 174.80 1wfn s SER 118 N 0.72 -1.10 0.00 7.02 0.15 -1.26 -5.27 113.70 113.95 1wfn s SER 118 Ca -0.10 -0.29 0.31 0.00 0.70 0.00 0.00 55.95 56.57 1wfn s SER 118 Cb -0.13 1.51 1.63 0.00 -1.71 0.00 0.00 66.02 67.31 1wfn s SER 118 CO 0.00 -0.15 2.07 0.61 1.20 0.00 0.00 173.24 176.97