#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 3.60 0.12 1.61 1.04 -1.26 -5.05 113.70 113.76 1wfn s SER 2 Ca 0.00 -1.08 -0.29 0.00 0.48 0.00 0.00 55.95 55.06 1wfn s SER 2 Cb 0.00 -0.31 -0.10 0.00 0.10 0.00 0.00 66.02 65.72 1wfn s SER 2 CO 0.00 -0.03 1.49 -1.28 0.98 0.00 0.00 173.24 174.40 1wfn h SER 3 N 2.21 -1.71 0.00 7.02 0.87 -2.08 -3.48 113.55 116.38 1wfn h SER 3 Ca -0.40 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1wfn h SER 3 Cb 1.26 0.71 0.00 0.00 -0.44 0.00 0.00 62.40 63.92 1wfn h SER 3 CO 0.63 -0.34 0.00 0.61 -0.53 0.00 0.00 176.83 177.19 1wfn n GLY 4 N -1.32 0.43 3.09 5.77 0.00 -1.26 -5.03 105.19 106.87 1wfn n GLY 4 Ca -0.03 -1.28 0.01 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.00 -1.07 0.13 1.61 0.01 -1.26 -5.13 113.70 104.00 1wfn s SER 5 Ca 0.00 0.39 -0.31 0.00 1.31 0.00 0.00 55.95 57.33 1wfn s SER 5 Cb 0.00 1.86 -0.10 0.00 0.21 0.00 0.00 66.02 67.99 1wfn s SER 5 CO 0.00 -0.29 1.80 -0.44 0.41 0.00 0.00 173.24 174.72 1wfn s SER 6 N 2.77 6.43 0.00 2.44 0.01 -1.26 -4.77 113.70 119.32 1wfn s SER 6 Ca 0.15 2.75 0.00 0.00 1.31 0.00 0.00 55.95 60.16 1wfn s SER 6 Cb -0.13 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1wfn s SER 6 CO -0.23 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.04 1wfn n GLY 7 N 4.18 0.74 3.77 3.44 0.00 -1.26 -5.17 105.19 110.89 1wfn n GLY 7 Ca 0.17 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.19 0.04 1.61 0.04 -1.26 -5.05 135.00 130.57 1wfn s PRO 8 Ca 0.00 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1wfn s PRO 8 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1wfn s PRO 8 CO 0.00 -2.77 0.00 1.04 0.04 0.00 0.00 177.00 175.31 1wfn n GLN 9 N -4.09 0.00 -1.54 4.56 1.13 -1.26 -5.14 117.38 111.04 1wfn n GLN 9 Ca 0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1wfn n GLN 9 Cb 0.59 -0.20 0.00 0.00 0.11 0.00 0.00 30.24 30.74 1wfn n GLN 9 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1wfn n LEU 10 N -2.90 -4.52 -3.65 1.08 4.32 -1.26 -5.10 117.00 104.97 1wfn n LEU 10 Ca 0.00 1.88 -0.00 0.00 -0.02 0.00 0.00 56.01 57.87 1wfn n LEU 10 Cb 0.00 -2.30 -0.06 0.00 -1.62 0.00 0.00 43.42 39.44 1wfn n LEU 10 CO 0.00 -1.24 0.84 0.54 -1.22 0.00 0.00 177.39 176.31 1wfn s VAL 11 N -0.32 0.00 -0.30 4.08 0.11 -1.26 -5.16 120.40 117.55 1wfn s VAL 11 Ca 0.00 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 1wfn s VAL 11 Cb 0.00 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 34.01 1wfn s VAL 11 CO 0.00 0.00 0.78 -0.60 -3.33 0.00 0.00 175.10 171.95 1wfn s ARG 12 N 1.18 0.45 -0.44 1.54 3.52 -1.26 -5.06 118.95 118.88 1wfn s ARG 12 Ca -0.08 0.98 0.07 0.00 -0.13 0.00 0.00 55.73 56.56 1wfn s ARG 12 Cb -0.03 0.57 0.35 0.00 -1.56 0.00 0.00 34.95 34.28 1wfn s ARG 12 CO -0.12 -0.30 1.18 -2.37 -0.81 0.00 0.00 175.30 172.88 1wfn n THR 13 N 5.33 0.01 -1.27 4.11 5.66 -1.26 -5.10 114.28 121.75 1wfn n THR 13 Ca -0.07 -1.62 0.00 0.00 -3.05 0.00 0.00 64.05 59.31 1wfn n THR 13 Cb 0.51 1.27 0.00 0.00 -1.55 0.00 0.00 70.33 70.56 1wfn n THR 13 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1wfn n HIS 14 N 0.03 -3.02 -3.89 1.09 8.25 -1.26 -5.08 115.22 111.34 1wfn n HIS 14 Ca 0.04 1.67 -0.10 0.00 -0.26 0.00 0.00 57.72 59.06 1wfn n HIS 14 Cb 0.75 -2.93 -0.09 0.00 1.12 0.00 0.00 29.99 28.83 1wfn n HIS 14 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1wfn s GLU 15 N -2.35 0.54 -0.03 -0.41 2.02 -1.26 -5.04 118.70 112.17 1wfn s GLU 15 Ca 0.00 -0.54 0.11 0.00 0.02 0.00 0.00 54.97 54.56 1wfn s GLU 15 Cb 0.00 0.22 -0.16 0.00 0.10 0.00 0.00 34.13 34.29 1wfn s GLU 15 CO 0.00 -0.14 0.20 -3.47 0.02 0.00 0.00 175.26 171.87 1wfn n ASP 16 N 1.14 2.49 -4.99 -0.19 -0.08 -1.26 -5.01 116.55 108.65 1wfn n ASP 16 Ca -0.21 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 52.88 1wfn n ASP 16 Cb 0.57 1.33 -0.00 0.00 2.34 0.00 0.00 41.12 45.36 1wfn n ASP 16 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1wfn s VAL 17 N -2.65 4.09 1.11 5.18 -7.23 -1.26 -4.76 120.40 114.88 1wfn s VAL 17 Ca -0.04 -0.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.98 1wfn s VAL 17 Cb 0.06 -3.42 0.27 0.00 0.56 0.00 0.00 36.38 33.85 1wfn s VAL 17 CO 0.45 -0.17 1.22 -0.81 -0.31 0.00 0.00 175.10 175.47 1wfn n PRO 18 N -1.67 -2.23 0.00 4.82 -0.04 -1.26 -4.58 135.00 130.04 1wfn n PRO 18 Ca -0.00 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1wfn n PRO 18 Cb 0.58 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1wfn n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wfn n GLY 19 N -4.26 3.18 3.72 0.55 0.00 -1.26 -1.90 105.19 105.22 1wfn n GLY 19 Ca 0.16 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 3.00 4.49 1.20 1.61 0.04 -1.26 -3.87 135.00 140.22 1wfn s PRO 20 Ca 0.00 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 1wfn s PRO 20 Cb 0.00 -3.33 0.25 0.00 0.04 0.00 0.00 34.50 31.46 1wfn s PRO 20 CO 0.00 -0.13 0.68 1.33 0.04 0.00 0.00 177.00 178.92 1wfn n VAL 21 N 3.37 0.00 0.00 -0.36 0.24 -1.26 -4.48 118.33 115.84 1wfn n VAL 21 Ca 0.07 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1wfn n VAL 21 Cb 0.47 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 1wfn n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wfn n GLY 22 N 1.48 0.00 3.27 7.63 0.00 -0.62 -4.78 105.19 112.16 1wfn n GLY 22 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.47 0.34 1.61 -3.43 -1.26 -4.89 115.29 107.19 1wfn s HIS 23 Ca 0.00 1.09 -0.29 0.00 -0.80 0.00 0.00 55.06 55.07 1wfn s HIS 23 Cb 0.00 0.17 -0.10 0.00 -1.43 0.00 0.00 32.58 31.22 1wfn s HIS 23 CO 0.00 -0.24 1.34 -0.51 -2.00 0.00 0.00 174.74 173.33 1wfn s LEU 24 N 0.57 4.41 -0.01 5.38 2.01 -1.26 -4.22 118.68 125.55 1wfn s LEU 24 Ca -0.03 2.76 -0.04 0.00 0.01 0.00 0.00 54.13 56.83 1wfn s LEU 24 Cb -0.05 -3.65 -0.00 0.00 0.01 0.00 0.00 46.19 42.50 1wfn s LEU 24 CO -0.03 -0.60 0.08 -0.55 1.01 0.00 0.00 176.35 176.26 1wfn s SER 25 N -0.42 0.03 -0.03 2.29 0.15 0.14 -4.97 113.70 110.90 1wfn s SER 25 Ca 0.50 -0.13 0.01 0.00 0.70 0.00 0.00 55.95 57.03 1wfn s SER 25 Cb -0.41 0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1wfn s SER 25 CO 0.55 -0.22 -0.04 -0.36 1.20 0.00 0.00 173.24 174.36 1wfn s PHE 26 N -0.86 0.59 0.22 3.44 0.08 -1.26 -0.14 117.98 120.05 1wfn s PHE 26 Ca -0.09 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.83 1wfn s PHE 26 Cb -0.06 -0.50 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 1wfn s PHE 26 CO 0.00 -0.11 0.14 -1.12 -0.10 0.00 0.00 175.22 174.03 1wfn s SER 27 N 0.54 0.50 -1.38 1.36 0.01 -0.82 -4.89 113.70 109.02 1wfn s SER 27 Ca -0.06 -1.42 -0.18 0.00 1.31 0.00 0.00 55.95 55.59 1wfn s SER 27 Cb -0.10 0.36 0.02 0.00 0.21 0.00 0.00 66.02 66.51 1wfn s SER 27 CO -0.00 -0.84 0.36 -0.62 0.41 0.00 0.00 173.24 172.55 1wfn n GLU 28 N -0.34 -0.63 -2.91 12.44 -0.58 -1.26 -1.65 120.64 125.70 1wfn n GLU 28 Ca 0.02 0.09 -0.33 0.00 -0.42 0.00 0.00 57.16 56.51 1wfn n GLU 28 Cb 0.66 -3.05 -0.07 0.00 -0.57 0.00 0.00 31.44 28.41 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 -3.94 4.45 0.00 -3.67 1.01 -1.26 -3.99 121.20 113.80 1wfn s ILE 29 Ca 0.26 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.29 1wfn s ILE 29 Cb -0.14 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1wfn s ILE 29 CO 0.98 -0.21 0.00 0.18 0.00 0.00 0.00 174.94 175.90 1wfn n LEU 30 N -0.37 0.00 -0.03 2.97 4.77 0.18 -4.67 117.00 119.84 1wfn n LEU 30 Ca 0.05 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.05 1wfn n LEU 30 Cb 0.53 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1wfn n LEU 30 CO 0.39 0.00 -0.78 -0.90 -1.33 0.00 0.00 177.39 174.77 1wfn n ASP 31 N 0.00 1.60 -0.93 -1.43 5.75 -1.25 0.23 116.55 120.53 1wfn n ASP 31 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 1wfn n ASP 31 Cb 0.00 1.35 -0.02 0.00 -1.03 0.00 0.00 41.12 41.42 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 -2.21 0.00 -3.64 2.12 -2.24 -1.26 0.38 114.28 107.42 1wfn n THR 32 Ca -0.11 -0.25 -0.06 0.00 -2.27 0.00 0.00 64.05 61.37 1wfn n THR 32 Cb 0.61 0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.02 -0.98 0.00 3.42 1.04 -1.26 -1.44 113.70 113.47 1wfn s SER 33 Ca 0.08 1.52 -0.16 0.00 0.48 0.00 0.00 55.95 57.88 1wfn s SER 33 Cb 0.10 1.53 0.03 0.00 0.10 0.00 0.00 66.02 67.77 1wfn s SER 33 CO -0.04 -0.24 0.34 -1.48 0.98 0.00 0.00 173.24 172.80 1wfn s LEU 34 N 1.84 0.72 -0.05 2.42 0.05 -0.47 0.48 118.68 123.67 1wfn s LEU 34 Ca -0.09 0.05 -0.14 0.00 0.05 0.00 0.00 54.13 53.99 1wfn s LEU 34 Cb -0.06 1.42 -0.05 0.00 -2.05 0.00 0.00 46.19 45.44 1wfn s LEU 34 CO -0.20 -0.52 0.37 -0.75 -0.55 0.00 0.00 176.35 174.70 1wfn s LYS 35 N -1.75 3.97 -0.07 1.48 2.36 -0.66 0.15 119.74 125.22 1wfn s LYS 35 Ca -0.10 0.31 0.02 0.00 -2.55 0.00 0.00 55.97 53.65 1wfn s LYS 35 Cb -0.03 -3.27 -0.03 0.00 -1.05 0.00 0.00 37.83 33.44 1wfn s LYS 35 CO 0.02 0.57 -0.10 0.08 1.55 0.00 0.00 175.35 177.47 1wfn s VAL 36 N -0.63 3.47 0.03 4.02 1.01 0.52 -1.95 120.40 126.86 1wfn s VAL 36 Ca 0.22 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1wfn s VAL 36 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1wfn s VAL 36 CO 0.11 0.59 0.02 -0.94 0.00 0.00 0.00 175.10 174.87 1wfn s SER 37 N -0.69 0.26 0.00 3.32 1.04 0.80 0.90 113.70 119.33 1wfn s SER 37 Ca 0.10 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1wfn s SER 37 Cb -0.11 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1wfn s SER 37 CO 0.01 -0.43 0.00 -2.67 0.98 0.00 0.00 173.24 171.14 1wfn n TRP 38 N 1.05 -0.54 -4.28 5.02 2.14 0.11 0.25 117.44 121.19 1wfn n TRP 38 Ca -0.20 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.17 1wfn n TRP 38 Cb 0.57 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.99 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 -1.23 1.72 0.16 -2.67 -1.52 -1.26 -4.80 119.66 110.06 1wfn s GLN 39 Ca 0.00 -2.00 -0.29 0.00 -1.95 0.00 0.00 55.36 51.12 1wfn s GLN 39 Cb 0.00 0.29 -0.07 0.00 -0.22 0.00 0.00 33.01 33.01 1wfn s GLN 39 CO 0.00 -0.63 0.93 -1.21 -0.25 0.00 0.00 175.29 174.13 1wfn s GLU 40 N -3.51 4.74 0.46 2.91 2.02 -1.26 -1.59 118.70 122.48 1wfn s GLU 40 Ca 0.40 1.42 -0.21 0.00 0.02 0.00 0.00 54.97 56.60 1wfn s GLU 40 Cb 0.03 -3.33 -0.09 0.00 0.10 0.00 0.00 34.13 30.84 1wfn s GLU 40 CO 0.26 0.36 1.04 -1.25 0.02 0.00 0.00 175.26 175.69 1wfn s PRO 41 N -0.54 3.91 0.00 0.39 0.04 -1.26 -3.76 135.00 133.77 1wfn s PRO 41 Ca 0.43 1.40 0.16 0.00 0.04 0.00 0.00 61.00 63.04 1wfn s PRO 41 Cb -0.24 -2.22 0.83 0.00 0.04 0.00 0.00 34.50 32.91 1wfn s PRO 41 CO 0.30 -0.35 1.43 0.41 0.04 0.00 0.00 177.00 178.84 1wfn n GLY 42 N -0.09 -0.74 0.00 0.56 0.00 -1.26 -4.08 105.19 99.58 1wfn n GLY 42 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wfn n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfn n GLU 43 N -1.22 0.00 0.00 1.61 -0.58 -1.26 -4.94 120.64 114.25 1wfn n GLU 43 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1wfn n GLU 43 Cb 0.11 -0.02 0.00 0.00 -0.57 0.00 0.00 31.44 30.96 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 -0.14 0.00 -2.53 3.49 4.76 -1.26 -4.55 118.16 117.93 1wfn n LYS 44 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 1wfn n LYS 44 Cb 0.00 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1wfn n LYS 44 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1wfn n ASN 45 N 1.15 -1.01 0.00 4.39 3.02 -1.26 -4.11 115.26 117.44 1wfn n ASN 45 Ca 0.00 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 1wfn n ASN 45 Cb 0.00 -1.00 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 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 -0.51 1.54 3.60 7.41 0.00 -1.26 -4.70 105.19 111.26 1wfn n GLY 46 Ca 0.01 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.25 3.75 0.47 -0.61 -1.09 -1.26 -4.95 121.20 116.27 1wfn s ILE 47 Ca 0.00 0.77 -0.22 0.00 -2.23 0.00 0.00 60.65 58.97 1wfn s ILE 47 Cb 0.00 -4.00 -0.10 0.00 -1.58 0.00 0.00 42.46 36.78 1wfn s ILE 47 CO 0.00 -0.62 0.77 0.18 -1.23 0.00 0.00 174.94 174.04 1wfn n LEU 48 N 9.28 1.60 -0.00 2.97 4.77 -1.26 -4.03 117.00 130.32 1wfn n LEU 48 Ca 0.19 0.91 0.02 0.00 -0.03 0.00 0.00 56.01 57.10 1wfn n LEU 48 Cb 0.47 -1.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.28 1wfn n LEU 48 CO 0.69 -2.27 -0.47 0.35 -1.33 0.00 0.00 177.39 174.37 1wfn n THR 49 N -1.01 0.00 -3.57 -5.08 -2.24 0.33 -4.80 114.28 97.91 1wfn n THR 49 Ca 0.11 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1wfn n THR 49 Cb 0.42 0.49 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 2.04 -1.20 2.92 3.38 0.00 -0.55 -3.59 105.19 108.19 1wfn n GLY 50 Ca -0.01 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 0.02 -0.38 1.61 2.02 0.21 0.19 117.35 118.02 1wfn s TYR 51 Ca 0.00 -0.03 -0.05 0.00 -0.37 0.00 0.00 57.07 56.62 1wfn s TYR 51 Cb 0.00 -0.02 0.08 0.00 -0.40 0.00 0.00 41.96 41.62 1wfn s TYR 51 CO 0.00 -0.05 0.17 0.50 -1.57 0.00 0.00 175.55 174.60 1wfn s ARG 52 N -0.25 2.36 0.10 -0.62 3.52 0.50 -0.08 118.95 124.48 1wfn s ARG 52 Ca -0.03 -1.51 -0.06 0.00 -0.13 0.00 0.00 55.73 53.99 1wfn s ARG 52 Cb -0.02 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 1wfn s ARG 52 CO -0.00 -0.89 0.36 -1.50 -0.81 0.00 0.00 175.30 172.46 1wfn s ILE 53 N 1.29 5.17 -0.24 4.11 2.07 -1.00 -1.85 121.20 130.75 1wfn s ILE 53 Ca 0.03 0.17 -0.03 0.00 -1.41 0.00 0.00 60.65 59.40 1wfn s ILE 53 Cb -0.22 -3.62 0.13 0.00 0.13 0.00 0.00 42.46 38.88 1wfn s ILE 53 CO -0.01 0.16 0.40 -0.44 -1.91 0.00 0.00 174.94 173.14 1wfn s SER 54 N -2.13 0.07 0.03 4.50 0.01 0.66 -1.83 113.70 115.01 1wfn s SER 54 Ca 0.37 0.38 -0.01 0.00 1.31 0.00 0.00 55.95 58.00 1wfn s SER 54 Cb -0.13 1.21 -0.04 0.00 0.21 0.00 0.00 66.02 67.28 1wfn s SER 54 CO 0.21 -0.29 0.17 -1.66 0.41 0.00 0.00 173.24 172.09 1wfn s TRP 55 N 2.57 3.46 -0.06 2.43 -2.14 -1.26 0.10 118.94 124.05 1wfn s TRP 55 Ca 0.11 0.26 -0.29 0.00 2.66 0.00 0.00 56.10 58.84 1wfn s TRP 55 Cb -0.15 -1.76 0.10 0.00 -3.10 0.00 0.00 33.47 28.56 1wfn s TRP 55 CO -0.16 0.60 0.88 -1.83 -2.66 0.00 0.00 176.95 173.78 1wfn s GLU 56 N -2.22 0.80 1.17 3.25 -1.05 -0.01 -2.15 118.70 118.49 1wfn s GLU 56 Ca 0.30 -0.07 -0.16 0.00 -0.15 0.00 0.00 54.97 54.90 1wfn s GLU 56 Cb -0.13 0.37 0.22 0.00 -0.44 0.00 0.00 34.13 34.16 1wfn s GLU 56 CO 0.23 -0.30 0.56 0.39 0.95 0.00 0.00 175.26 177.08 1wfn n GLU 57 N 0.27 -2.22 -0.20 -4.83 1.02 -1.23 0.19 120.64 113.62 1wfn n GLU 57 Ca -0.11 -0.63 -0.11 0.00 -0.02 0.00 0.00 57.16 56.29 1wfn n GLU 57 Cb 0.60 -1.95 -0.08 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.47 -1.49 -1.22 -0.32 3.20 -0.29 -3.25 116.97 111.13 1wfn h TYR 58 Ca -0.59 0.08 -0.41 0.00 3.14 0.00 0.00 58.73 60.95 1wfn h TYR 58 Cb 1.35 0.72 -0.40 0.00 1.54 0.00 0.00 36.73 39.93 1wfn h TYR 58 CO 0.20 -0.37 -1.12 -1.71 -1.64 0.00 0.00 178.16 173.52 1wfn n ASN 59 N -4.91 1.92 -3.49 -2.11 2.85 -1.26 -4.80 115.26 103.47 1wfn n ASN 59 Ca -0.01 -2.92 -0.28 0.00 -0.11 0.00 0.00 54.58 51.26 1wfn n ASN 59 Cb 0.26 -0.53 -0.11 0.00 1.24 0.00 0.00 39.78 40.64 1wfn n ASN 59 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1wfn s ARG 60 N -3.11 0.87 0.64 1.20 0.52 -1.22 -4.95 118.95 112.89 1wfn s ARG 60 Ca 0.32 -1.81 0.43 0.00 -0.52 0.00 0.00 55.73 54.15 1wfn s ARG 60 Cb 0.43 -1.57 2.31 0.00 0.52 0.00 0.00 34.95 36.64 1wfn s ARG 60 CO -0.01 -1.28 2.31 1.15 0.02 0.00 0.00 175.30 177.49 1wfn h THR 61 N 4.87 0.00 0.00 0.02 2.02 -1.94 0.30 112.91 118.18 1wfn h THR 61 Ca 0.14 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1wfn h THR 61 Cb 0.93 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1wfn h THR 61 CO 0.35 0.00 0.00 -0.55 0.37 0.00 0.00 175.52 175.69 1wfn h ASN 62 N 0.00 0.00 -0.35 4.18 -1.07 -1.98 0.31 115.58 116.67 1wfn h ASN 62 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.24 1wfn h ASN 62 Cb 0.01 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 36.19 1wfn h ASN 62 CO 0.00 0.00 -0.01 0.35 0.07 0.00 0.00 177.43 177.84 1wfn n THR 63 N -2.30 2.49 -3.33 6.14 -2.24 0.09 -4.99 114.28 110.13 1wfn n THR 63 Ca -0.01 -2.37 -0.38 0.00 -2.27 0.00 0.00 64.05 59.01 1wfn n THR 63 Cb 0.04 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 67.91 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 -3.09 4.22 0.25 -0.78 6.06 0.11 -3.76 118.95 121.95 1wfn s ARG 64 Ca 0.44 0.53 0.10 0.00 -2.50 0.00 0.00 55.73 54.30 1wfn s ARG 64 Cb 0.39 -3.34 -0.05 0.00 0.06 0.00 0.00 34.95 32.00 1wfn s ARG 64 CO 0.04 0.38 -0.18 0.54 -2.50 0.00 0.00 175.30 173.58 1wfn s VAL 65 N -0.14 2.17 -0.22 7.11 0.11 -0.91 -4.99 120.40 123.53 1wfn s VAL 65 Ca 0.27 -2.31 0.01 0.00 -2.93 0.00 0.00 61.98 57.02 1wfn s VAL 65 Cb -0.17 -2.18 0.05 0.00 -1.53 0.00 0.00 36.38 32.55 1wfn s VAL 65 CO 0.13 -0.46 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.48 1wfn s THR 66 N -2.65 1.54 0.21 5.04 2.01 -1.26 -4.00 115.64 116.53 1wfn s THR 66 Ca 0.26 -1.13 0.10 0.00 0.31 0.00 0.00 61.69 61.24 1wfn s THR 66 Cb -0.03 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1wfn s THR 66 CO 0.11 -0.01 -0.21 -1.00 -0.69 0.00 0.00 174.62 172.82 1wfn s HIS 67 N 1.41 2.11 -0.06 4.92 3.76 -0.76 -5.04 115.29 121.63 1wfn s HIS 67 Ca -0.04 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 1wfn s HIS 67 Cb -0.18 -1.01 0.02 0.00 1.11 0.00 0.00 32.58 32.52 1wfn s HIS 67 CO -0.07 0.49 -0.10 0.71 -0.85 0.00 0.00 174.74 174.93 1wfn s TYR 68 N -2.08 1.20 0.22 1.40 2.02 -1.26 -2.38 117.35 116.47 1wfn s TYR 68 Ca 0.22 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.59 1wfn s TYR 68 Cb -0.06 -0.92 -0.05 0.00 -0.40 0.00 0.00 41.96 40.53 1wfn s TYR 68 CO 0.10 -0.24 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.18 1wfn s LEU 69 N 0.71 2.56 1.08 -1.29 1.43 0.89 -4.96 118.68 119.10 1wfn s LEU 69 Ca -0.13 -1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 51.77 1wfn s LEU 69 Cb -0.15 -0.74 0.24 0.00 0.03 0.00 0.00 46.19 45.57 1wfn s LEU 69 CO 0.03 -0.14 1.22 -2.16 0.23 0.00 0.00 176.35 175.53 1wfn s PRO 70 N -3.62 -0.29 -0.06 1.29 0.04 -1.26 0.67 135.00 131.77 1wfn s PRO 70 Ca 0.24 -0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.07 1wfn s PRO 70 Cb -0.01 -1.72 0.25 0.00 0.04 0.00 0.00 34.50 33.05 1wfn s PRO 70 CO 0.08 -3.06 0.94 0.27 0.04 0.00 0.00 177.00 175.27 1wfn n ASN 71 N -4.26 2.26 -0.01 6.66 6.94 -1.24 -3.05 115.26 122.57 1wfn n ASN 71 Ca 0.14 -2.24 0.03 0.00 -0.02 0.00 0.00 54.58 52.49 1wfn n ASN 71 Cb 0.59 -0.49 -0.06 0.00 -2.36 0.00 0.00 39.78 37.47 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 0.19 0.07 -4.13 3.53 0.24 -1.26 -4.94 118.33 112.03 1wfn n VAL 72 Ca 0.09 -0.19 -0.34 0.00 -2.04 0.00 0.00 64.34 61.86 1wfn n VAL 72 Cb 0.48 0.15 -0.07 0.00 -1.47 0.00 0.00 33.84 32.93 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 -2.46 4.72 -0.00 3.34 2.01 -1.17 -4.98 115.64 117.10 1wfn s THR 73 Ca -0.03 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1wfn s THR 73 Cb 0.04 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.44 1wfn s THR 73 CO 0.31 0.42 0.67 0.18 -0.69 0.00 0.00 174.62 175.51 1wfn n LEU 74 N 1.43 0.29 -3.90 4.42 4.77 -1.26 -4.72 117.00 118.03 1wfn n LEU 74 Ca -0.15 -0.51 -0.10 0.00 -0.03 0.00 0.00 56.01 55.22 1wfn n LEU 74 Cb 0.53 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1wfn n LEU 74 CO 0.36 0.12 -0.20 -1.83 -1.33 0.00 0.00 177.39 174.51 1wfn s GLU 75 N -0.20 0.50 0.04 3.23 1.03 -1.26 0.06 118.70 122.10 1wfn s GLU 75 Ca 0.01 -0.51 -0.24 0.00 0.03 0.00 0.00 54.97 54.26 1wfn s GLU 75 Cb 0.01 0.20 0.06 0.00 -0.80 0.00 0.00 34.13 33.60 1wfn s GLU 75 CO 0.00 -0.12 0.56 -0.47 -1.33 0.00 0.00 175.26 173.90 1wfn s TYR 76 N -1.72 -0.48 -0.20 4.83 6.14 0.26 -4.96 117.35 121.22 1wfn s TYR 76 Ca -0.12 0.58 -0.16 0.00 0.64 0.00 0.00 57.07 58.01 1wfn s TYR 76 Cb -0.06 0.38 -0.04 0.00 0.42 0.00 0.00 41.96 42.66 1wfn s TYR 76 CO -0.00 -0.66 0.42 0.50 0.64 0.00 0.00 175.55 176.45 1wfn s ARG 77 N -2.34 4.17 0.07 4.97 3.52 -1.26 0.19 118.95 128.27 1wfn s ARG 77 Ca -0.06 0.24 -0.06 0.00 -0.13 0.00 0.00 55.73 55.72 1wfn s ARG 77 Cb -0.01 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.79 1wfn s ARG 77 CO -0.01 -0.06 0.31 0.08 -0.81 0.00 0.00 175.30 174.82 1wfn s VAL 78 N 1.38 5.24 -0.05 7.11 1.01 0.39 -4.95 120.40 130.53 1wfn s VAL 78 Ca 0.20 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 1wfn s VAL 78 Cb -0.15 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.67 1wfn s VAL 78 CO 0.08 0.22 0.46 0.42 0.00 0.00 0.00 175.10 176.28 1wfn s THR 79 N -1.46 0.03 0.00 3.92 -4.23 -1.26 -1.37 115.64 111.27 1wfn s THR 79 Ca 0.34 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1wfn s THR 79 Cb -0.13 -0.75 0.00 0.00 1.34 0.00 0.00 72.50 72.96 1wfn s THR 79 CO 0.21 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1wfn n GLY 80 N 1.40 1.63 0.00 3.99 0.00 -0.52 -5.00 105.19 106.69 1wfn n GLY 80 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.96 0.99 4.77 -1.15 -5.07 117.00 112.58 1wfn n LEU 81 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1wfn n LEU 81 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1wfn n LEU 81 CO 0.00 0.00 -0.40 -0.89 -1.33 0.00 0.00 177.39 174.77 1wfn s THR 82 N 1.33 0.38 0.44 -5.08 2.01 -1.23 -4.74 115.64 108.75 1wfn s THR 82 Ca 0.00 -0.33 -0.26 0.00 0.31 0.00 0.00 61.69 61.41 1wfn s THR 82 Cb 0.00 -0.35 -0.08 0.00 0.01 0.00 0.00 72.50 72.07 1wfn s THR 82 CO 0.00 0.03 1.39 0.00 -0.69 0.00 0.00 174.62 175.35 1wfn s ALA 83 N -0.31 3.26 -1.09 7.40 0.00 0.16 -2.95 121.76 128.23 1wfn s ALA 83 Ca -0.00 1.40 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 1wfn s ALA 83 Cb -0.03 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.57 1wfn s ALA 83 CO -0.00 -1.08 0.62 1.28 0.00 0.00 0.00 175.76 176.58 1wfn n LEU 84 N -0.08 -0.28 -3.86 0.00 4.77 -1.26 -4.94 117.00 111.35 1wfn n LEU 84 Ca 0.05 -1.19 -0.12 0.00 -0.03 0.00 0.00 56.01 54.72 1wfn n LEU 84 Cb 0.42 -1.47 -0.13 0.00 -2.33 0.00 0.00 43.42 39.92 1wfn n LEU 84 CO 0.58 0.73 -0.28 -0.89 -1.33 0.00 0.00 177.39 176.20 1wfn s THR 85 N -3.54 0.02 0.12 -5.08 2.01 -1.15 -4.91 115.64 103.10 1wfn s THR 85 Ca 0.41 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 1wfn s THR 85 Cb -0.23 -0.14 -0.06 0.00 0.01 0.00 0.00 72.50 72.08 1wfn s THR 85 CO 0.90 -0.07 1.01 -0.89 -0.69 0.00 0.00 174.62 174.88 1wfn s THR 86 N -0.18 4.31 0.14 -0.82 2.01 -1.26 -0.28 115.64 119.55 1wfn s THR 86 Ca -0.02 1.91 0.01 0.00 0.31 0.00 0.00 61.69 63.90 1wfn s THR 86 Cb -0.02 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1wfn s THR 86 CO 0.00 0.29 0.00 -0.31 -0.69 0.00 0.00 174.62 173.91 1wfn s TYR 87 N 0.02 0.99 -0.09 4.92 1.51 0.31 0.44 117.35 125.45 1wfn s TYR 87 Ca 0.48 -1.07 0.01 0.00 -1.01 0.00 0.00 57.07 55.49 1wfn s TYR 87 Cb -0.25 -0.57 0.02 0.00 -0.11 0.00 0.00 41.96 41.04 1wfn s TYR 87 CO 0.31 -0.30 -0.09 0.99 -1.11 0.00 0.00 175.55 175.35 1wfn s THR 88 N -3.78 1.04 -0.28 -0.71 2.01 0.49 0.10 115.64 114.51 1wfn s THR 88 Ca 0.20 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 61.78 1wfn s THR 88 Cb 0.07 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1wfn s THR 88 CO 0.00 0.35 0.05 -0.63 -0.69 0.00 0.00 174.62 173.71 1wfn s ILE 89 N 1.22 3.87 -0.27 1.82 -1.09 -0.97 -0.83 121.20 124.95 1wfn s ILE 89 Ca -0.04 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 57.65 1wfn s ILE 89 Cb -0.14 -2.94 -0.05 0.00 -1.58 0.00 0.00 42.46 37.75 1wfn s ILE 89 CO -0.03 0.16 0.19 -1.61 -1.23 0.00 0.00 174.94 172.43 1wfn s GLU 90 N 1.50 3.97 -0.22 2.79 2.02 0.11 -2.14 118.70 126.74 1wfn s GLU 90 Ca 0.03 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.71 1wfn s GLU 90 Cb -0.16 -3.64 0.02 0.00 0.10 0.00 0.00 34.13 30.45 1wfn s GLU 90 CO 0.01 -0.14 -0.10 0.08 0.02 0.00 0.00 175.26 175.13 1wfn s VAL 91 N 1.64 2.67 0.19 2.63 1.01 -0.83 -0.24 120.40 127.47 1wfn s VAL 91 Ca 0.07 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.22 1wfn s VAL 91 Cb -0.16 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1wfn s VAL 91 CO 0.10 0.33 -0.22 0.00 0.00 0.00 0.00 175.10 175.30 1wfn s ALA 92 N 1.33 2.40 -0.16 5.51 0.00 -0.77 -0.66 121.76 129.40 1wfn s ALA 92 Ca 0.02 -1.60 -0.06 0.00 0.00 0.00 0.00 51.96 50.32 1wfn s ALA 92 Cb -0.15 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1wfn s ALA 92 CO -0.07 0.38 0.03 0.00 0.00 0.00 0.00 175.76 176.10 1wfn s ALA 93 N -1.78 3.29 -0.11 0.00 0.00 -1.25 -0.37 121.76 121.53 1wfn s ALA 93 Ca 0.19 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 1wfn s ALA 93 Cb -0.07 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1wfn s ALA 93 CO 0.09 0.25 0.09 -1.64 0.00 0.00 0.00 175.76 174.55 1wfn s MET 94 N 0.18 3.33 0.00 0.00 1.00 0.51 -1.53 119.30 122.79 1wfn s MET 94 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 55.69 55.48 1wfn s MET 94 Cb -0.13 -3.06 0.00 0.00 0.00 0.00 0.00 34.83 31.64 1wfn s MET 94 CO 0.01 0.72 0.00 0.25 0.00 0.00 0.00 175.02 176.00 1wfn n THR 95 N 2.14 0.00 1.34 2.05 -2.24 0.37 0.12 114.28 118.06 1wfn n THR 95 Ca -0.19 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1wfn n THR 95 Cb 0.54 0.00 0.67 0.00 -2.10 0.00 0.00 70.33 69.44 1wfn n THR 95 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wfn n SER 96 N -0.70 0.00 -0.11 3.42 7.64 -1.26 -3.15 113.62 119.47 1wfn n SER 96 Ca 0.00 -0.40 -0.20 0.00 1.01 0.00 0.00 58.87 59.28 1wfn n SER 96 Cb 0.00 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 62.96 1wfn n SER 96 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1wfn n LYS 97 N -1.15 0.49 0.00 1.43 3.00 -1.26 -5.12 118.16 115.55 1wfn n LYS 97 Ca 0.15 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 1wfn n LYS 97 Cb 0.14 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 33.82 1wfn n LYS 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wfn n GLY 98 N 1.98 -0.72 3.56 3.14 0.00 -1.19 -5.08 105.19 106.89 1wfn n GLY 98 Ca -0.41 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.77 2.41 0.00 1.61 0.74 -1.26 0.14 119.66 122.52 1wfn s GLN 99 Ca 0.00 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.60 1wfn s GLN 99 Cb 0.00 -2.41 0.00 0.00 1.10 0.00 0.00 33.01 31.70 1wfn s GLN 99 CO 0.00 0.58 0.00 0.41 -0.55 0.00 0.00 175.29 175.73 1wfn n GLY 100 N 1.49 3.25 3.21 2.59 0.00 -0.58 -4.79 105.19 110.36 1wfn n GLY 100 Ca -0.15 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.99 -3.81 1.61 7.27 -0.80 -4.65 117.38 115.01 1wfn n GLN 101 Ca 0.00 -0.57 -0.13 0.00 0.07 0.00 0.00 57.00 56.37 1wfn n GLN 101 Cb 0.00 -1.66 -0.14 0.00 2.41 0.00 0.00 30.24 30.86 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 -2.19 -0.02 -0.51 1.69 0.11 -1.26 -3.85 120.40 114.38 1wfn s VAL 102 Ca 0.52 0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 59.47 1wfn s VAL 102 Cb -0.10 -0.14 0.10 0.00 -1.53 0.00 0.00 36.38 34.71 1wfn s VAL 102 CO 0.58 0.03 0.47 -0.44 -3.33 0.00 0.00 175.10 172.40 1wfn s SER 103 N 0.40 6.17 -0.32 3.54 0.01 0.17 -4.81 113.70 118.86 1wfn s SER 103 Ca -0.03 -1.49 -0.14 0.00 1.31 0.00 0.00 55.95 55.60 1wfn s SER 103 Cb -0.04 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 1wfn s SER 103 CO -0.02 -0.77 0.32 0.00 0.41 0.00 0.00 173.24 173.19 1wfn s ALA 104 N 1.75 3.52 -0.12 1.44 0.00 -1.25 -1.97 121.76 125.12 1wfn s ALA 104 Ca 0.05 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1wfn s ALA 104 Cb -0.26 -2.73 -0.00 0.00 0.00 0.00 0.00 23.12 20.13 1wfn s ALA 104 CO 0.06 -0.88 -0.19 -1.12 0.00 0.00 0.00 175.76 173.63 1wfn s SER 105 N 1.72 3.48 0.03 0.00 0.01 -0.91 -4.90 113.70 113.13 1wfn s SER 105 Ca 0.11 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.59 1wfn s SER 105 Cb -0.16 -1.50 -0.04 0.00 0.21 0.00 0.00 66.02 64.52 1wfn s SER 105 CO 0.11 0.14 1.12 -0.89 0.41 0.00 0.00 173.24 174.13 1wfn s THR 106 N 0.47 4.36 -0.05 1.44 2.01 -1.26 -2.30 115.64 120.32 1wfn s THR 106 Ca -0.13 1.69 -0.02 0.00 0.31 0.00 0.00 61.69 63.54 1wfn s THR 106 Cb -0.17 -4.08 0.03 0.00 0.01 0.00 0.00 72.50 68.29 1wfn s THR 106 CO 0.05 0.12 0.10 -0.51 -0.69 0.00 0.00 174.62 173.69 1wfn s ILE 107 N 1.17 -0.04 -0.26 1.82 1.10 0.28 -4.94 121.20 120.34 1wfn s ILE 107 Ca 0.56 0.14 -0.10 0.00 -0.51 0.00 0.00 60.65 60.74 1wfn s ILE 107 Cb -0.26 -0.18 -0.04 0.00 0.15 0.00 0.00 42.46 42.13 1wfn s ILE 107 CO 0.28 0.06 0.15 -0.55 -2.11 0.00 0.00 174.94 172.76 1wfn s SER 108 N 0.86 5.81 0.33 4.50 0.15 -1.26 0.12 113.70 124.20 1wfn s SER 108 Ca -0.07 -0.02 -0.18 0.00 0.70 0.00 0.00 55.95 56.38 1wfn s SER 108 Cb -0.09 -2.06 -0.13 0.00 -1.71 0.00 0.00 66.02 62.03 1wfn s SER 108 CO -0.04 -0.01 0.09 -1.54 1.20 0.00 0.00 173.24 172.95 1wfn n SER 109 N 4.75 -2.32 0.00 5.45 3.41 0.61 -4.81 113.62 120.72 1wfn n SER 109 Ca -0.15 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1wfn n SER 109 Cb 0.52 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 1.93 -2.02 3.64 5.00 0.00 0.64 -4.08 105.19 110.31 1wfn n GLY 110 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.10 0.00 -0.02 1.61 0.11 -0.46 -4.45 120.40 117.09 1wfn s VAL 111 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1wfn s VAL 111 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1wfn s VAL 111 CO 0.00 0.00 1.21 -2.16 -3.33 0.00 0.00 175.10 170.82 1wfn s PRO 112 N -0.29 4.37 -0.55 1.54 0.04 -1.26 -3.85 135.00 135.00 1wfn s PRO 112 Ca 0.07 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.76 1wfn s PRO 112 Cb -0.04 -3.51 -0.14 0.00 0.04 0.00 0.00 34.50 30.85 1wfn s PRO 112 CO -0.12 -0.40 2.69 -0.35 0.04 0.00 0.00 177.00 178.86 1wfn n PRO 113 N 4.87 2.08 -0.05 0.56 -0.04 -1.26 -4.30 135.00 136.86 1wfn n PRO 113 Ca 0.10 -1.21 -0.02 0.00 -0.04 0.00 0.00 63.50 62.33 1wfn n PRO 113 Cb 0.46 -2.20 -0.01 0.00 -0.04 0.00 0.00 33.50 31.71 1wfn n PRO 113 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wfn h SER 114 N 4.64 0.00 0.00 3.54 0.02 -2.07 -3.47 113.55 116.21 1wfn h SER 114 Ca 0.37 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.24 1wfn h SER 114 Cb 0.73 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.14 1wfn h SER 114 CO 0.88 0.52 -0.04 0.61 -1.14 0.00 0.00 176.83 177.66 1wfn n GLY 115 N 1.72 -1.55 3.76 -3.77 0.00 -1.26 -5.17 105.19 98.92 1wfn n GLY 115 Ca -0.03 0.90 -0.30 0.00 0.00 0.00 0.00 46.02 46.59 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 0.12 -0.60 -0.30 1.61 0.04 -1.26 -5.10 135.00 129.51 1wfn s PRO 116 Ca 0.25 -0.37 -0.12 0.00 0.04 0.00 0.00 61.00 60.80 1wfn s PRO 116 Cb 0.23 -1.70 0.15 0.00 0.04 0.00 0.00 34.50 33.23 1wfn s PRO 116 CO -0.12 -3.25 0.81 -1.54 0.04 0.00 0.00 177.00 172.93 1wfn s SER 117 N -4.49 -0.89 0.94 6.66 1.04 -1.26 -5.17 113.70 110.53 1wfn s SER 117 Ca 0.74 1.17 -0.13 0.00 0.48 0.00 0.00 55.95 58.22 1wfn s SER 117 Cb -0.05 1.99 0.15 0.00 0.10 0.00 0.00 66.02 68.22 1wfn s SER 117 CO 0.55 -0.17 1.14 -0.44 0.98 0.00 0.00 173.24 175.30 1wfn s SER 118 N 2.70 3.29 0.00 7.02 0.01 -1.26 -5.32 113.70 120.14 1wfn s SER 118 Ca -0.03 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1wfn s SER 118 Cb -0.09 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1wfn s SER 118 CO -0.18 -2.68 0.00 0.61 0.41 0.00 0.00 173.24 171.39