#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfn n SER 2 N 0.00 1.57 0.36 1.61 3.41 -1.26 -4.75 113.62 114.55 1wfn n SER 2 Ca 0.00 0.25 -0.19 0.00 -0.26 0.00 0.00 58.87 58.67 1wfn n SER 2 Cb 0.00 -0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 63.27 1wfn n SER 2 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1wfn h SER 3 N -0.63 -1.35 0.00 4.04 0.02 -2.00 -3.49 113.55 110.14 1wfn h SER 3 Ca -0.08 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1wfn h SER 3 Cb 0.76 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1wfn h SER 3 CO -0.05 -0.71 0.00 0.61 -1.14 0.00 0.00 176.83 175.54 1wfn n GLY 4 N -1.60 -1.24 3.18 -3.77 0.00 -1.26 -5.14 105.19 95.37 1wfn n GLY 4 Ca -0.13 0.49 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 1wfn n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfn n SER 5 N 0.00 -4.27 -4.75 1.61 2.88 -1.26 -4.78 113.62 103.05 1wfn n SER 5 Ca 0.00 0.47 -0.41 0.00 -1.33 0.00 0.00 58.87 57.59 1wfn n SER 5 Cb 0.00 -0.86 -0.02 0.00 -0.75 0.00 0.00 64.21 62.58 1wfn n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfn s SER 6 N -1.07 6.41 -0.37 -3.46 0.15 -1.26 -4.93 113.70 109.17 1wfn s SER 6 Ca 0.51 2.92 0.07 0.00 0.70 0.00 0.00 55.95 60.15 1wfn s SER 6 Cb -0.36 -2.64 0.19 0.00 -1.71 0.00 0.00 66.02 61.50 1wfn s SER 6 CO 0.72 -0.88 0.64 -0.83 1.20 0.00 0.00 173.24 174.08 1wfn s GLY 7 N 0.44 -1.27 -0.97 9.45 0.00 -1.26 -5.04 107.32 108.66 1wfn s GLY 7 Ca 0.62 0.56 -0.07 0.00 0.00 0.00 0.00 44.72 45.83 1wfn s GLY 7 CO 0.48 3.70 2.55 -1.55 0.00 0.00 0.00 173.10 178.28 1wfn n PRO 8 N 4.74 2.52 -3.42 2.90 -0.04 -1.26 -4.61 135.00 135.83 1wfn n PRO 8 Ca 0.09 -1.56 -0.21 0.00 -0.04 0.00 0.00 63.50 61.77 1wfn n PRO 8 Cb 0.56 -2.45 -0.10 0.00 -0.04 0.00 0.00 33.50 31.47 1wfn n PRO 8 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1wfn s GLN 9 N 2.60 0.44 0.08 0.54 1.11 -1.26 -5.05 119.66 118.13 1wfn s GLN 9 Ca 0.52 -0.64 0.00 0.00 0.01 0.00 0.00 55.36 55.25 1wfn s GLN 9 Cb 0.16 -0.87 0.00 0.00 -1.01 0.00 0.00 33.01 31.29 1wfn s GLN 9 CO -0.04 -1.11 0.00 1.28 0.01 0.00 0.00 175.29 175.43 1wfn n LEU 10 N 4.73 -6.00 -3.37 2.90 4.32 -1.26 -5.08 117.00 113.24 1wfn n LEU 10 Ca 0.04 2.71 0.02 0.00 -0.02 0.00 0.00 56.01 58.76 1wfn n LEU 10 Cb 0.44 -3.00 -0.04 0.00 -1.62 0.00 0.00 43.42 39.20 1wfn n LEU 10 CO 0.06 -2.26 0.67 0.54 -1.22 0.00 0.00 177.39 175.18 1wfn s VAL 11 N -0.51 -0.41 -0.29 4.08 0.11 -1.26 -5.05 120.40 117.07 1wfn s VAL 11 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 1wfn s VAL 11 Cb 0.00 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 34.02 1wfn s VAL 11 CO 0.00 0.00 1.30 -0.60 -3.33 0.00 0.00 175.10 172.47 1wfn s ARG 12 N 2.35 0.22 1.22 1.54 3.52 -1.26 -5.11 118.95 121.43 1wfn s ARG 12 Ca -0.02 0.24 -0.16 0.00 -0.13 0.00 0.00 55.73 55.66 1wfn s ARG 12 Cb -0.05 0.11 0.26 0.00 -1.56 0.00 0.00 34.95 33.71 1wfn s ARG 12 CO -0.17 -0.03 0.71 -2.37 -0.81 0.00 0.00 175.30 172.63 1wfn n THR 13 N 1.74 0.00 0.00 4.11 5.66 -1.26 -5.03 114.28 119.49 1wfn n THR 13 Ca -0.11 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 1wfn n THR 13 Cb 0.57 -0.88 0.00 0.00 -1.55 0.00 0.00 70.33 68.47 1wfn n THR 13 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1wfn n HIS 14 N -5.00 0.00 -1.07 1.09 -0.00 -1.26 -5.17 115.22 103.81 1wfn n HIS 14 Ca 0.03 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.28 1wfn n HIS 14 Cb 0.56 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.39 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 -0.21 -2.62 0.05 1.57 -0.58 -1.26 -5.00 120.64 112.59 1wfn n GLU 15 Ca 0.00 2.10 0.00 0.00 -0.42 0.00 0.00 57.16 58.84 1wfn n GLU 15 Cb 0.00 -2.82 0.00 0.00 -0.57 0.00 0.00 31.44 28.05 1wfn n GLU 15 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1wfn n ASP 16 N -3.09 0.59 -4.08 1.62 -0.08 -1.26 -5.08 116.55 105.16 1wfn n ASP 16 Ca -0.04 0.16 -0.36 0.00 -1.51 0.00 0.00 54.79 53.03 1wfn n ASP 16 Cb 0.43 -0.12 0.06 0.00 2.34 0.00 0.00 41.12 43.83 1wfn n ASP 16 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1wfn n VAL 17 N -3.32 0.00 -1.51 5.18 0.24 -1.26 -4.70 118.33 112.95 1wfn n VAL 17 Ca 0.00 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.34 61.76 1wfn n VAL 17 Cb 0.11 -0.15 0.23 0.00 -1.47 0.00 0.00 33.84 32.55 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 -2.39 -0.54 0.00 7.34 0.04 -1.26 -4.84 135.00 133.36 1wfn s PRO 18 Ca 0.43 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1wfn s PRO 18 Cb -0.06 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1wfn s PRO 18 CO 0.72 -3.21 0.00 0.41 0.04 0.00 0.00 177.00 174.96 1wfn n GLY 19 N -2.42 1.45 3.68 0.56 0.00 -0.75 -1.93 105.19 105.77 1wfn n GLY 19 Ca 0.16 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 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 2.28 4.30 0.99 1.61 0.04 -1.26 -3.57 135.00 139.40 1wfn s PRO 20 Ca 0.00 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1wfn s PRO 20 Cb 0.00 -3.64 0.20 0.00 0.04 0.00 0.00 34.50 31.10 1wfn s PRO 20 CO 0.00 -0.55 0.44 1.33 0.04 0.00 0.00 177.00 178.26 1wfn n VAL 21 N 4.91 0.00 0.00 -0.36 0.24 -1.26 -4.38 118.33 117.47 1wfn n VAL 21 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 1wfn n VAL 21 Cb 0.45 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 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 -1.56 -2.80 3.75 7.63 0.00 0.11 -4.69 105.19 107.63 1wfn n GLY 22 Ca 0.07 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.05 3.80 0.30 1.61 -3.43 -1.26 -4.57 115.29 111.69 1wfn s HIS 23 Ca 0.00 1.60 -0.29 0.00 -0.80 0.00 0.00 55.06 55.57 1wfn s HIS 23 Cb 0.00 -2.87 -0.10 0.00 -1.43 0.00 0.00 32.58 28.18 1wfn s HIS 23 CO 0.00 0.32 1.39 -0.51 -2.00 0.00 0.00 174.74 173.94 1wfn s LEU 24 N -0.34 4.40 0.00 5.38 2.01 -1.26 -4.38 118.68 124.48 1wfn s LEU 24 Ca 0.40 2.72 0.01 0.00 0.01 0.00 0.00 54.13 57.27 1wfn s LEU 24 Cb -0.22 -3.64 -0.01 0.00 0.01 0.00 0.00 46.19 42.33 1wfn s LEU 24 CO 0.26 -0.65 -0.05 -0.44 1.01 0.00 0.00 176.35 176.48 1wfn s SER 25 N -0.05 0.56 -0.07 2.29 0.01 0.12 -5.00 113.70 111.56 1wfn s SER 25 Ca 0.54 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.64 1wfn s SER 25 Cb -0.41 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 65.80 1wfn s SER 25 CO 0.50 0.00 -0.06 -0.36 0.41 0.00 0.00 173.24 173.73 1wfn s PHE 26 N -0.35 1.03 0.34 2.43 0.08 -1.26 -0.42 117.98 119.84 1wfn s PHE 26 Ca -0.01 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.70 1wfn s PHE 26 Cb -0.03 -0.89 -0.03 0.00 -0.57 0.00 0.00 43.02 41.49 1wfn s PHE 26 CO -0.00 -0.30 0.15 -1.54 -0.10 0.00 0.00 175.22 173.42 1wfn s SER 27 N 1.22 2.07 -1.39 1.36 1.04 -0.70 -4.86 113.70 112.45 1wfn s SER 27 Ca -0.06 -1.59 -0.09 0.00 0.48 0.00 0.00 55.95 54.69 1wfn s SER 27 Cb -0.14 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.38 1wfn s SER 27 CO -0.02 -0.89 0.16 -0.62 0.98 0.00 0.00 173.24 172.86 1wfn n GLU 28 N -0.71 -0.76 -2.98 4.02 -0.58 -1.26 -1.14 120.64 117.23 1wfn n GLU 28 Ca -0.01 0.07 -0.40 0.00 -0.42 0.00 0.00 57.16 56.39 1wfn n GLU 28 Cb 0.65 -3.10 -0.05 0.00 -0.57 0.00 0.00 31.44 28.38 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 -4.13 4.84 0.00 -3.67 1.01 -1.26 -3.95 121.20 114.03 1wfn s ILE 29 Ca 0.12 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.38 1wfn s ILE 29 Cb -0.07 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1wfn s ILE 29 CO 0.94 0.32 0.00 0.18 0.00 0.00 0.00 174.94 176.38 1wfn n LEU 30 N 3.17 0.00 -0.05 2.97 7.99 0.28 -4.54 117.00 126.82 1wfn n LEU 30 Ca -0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.93 1wfn n LEU 30 Cb 0.51 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.75 1wfn n LEU 30 CO 0.47 0.00 -0.80 -0.90 -1.51 0.00 0.00 177.39 174.65 1wfn n ASP 31 N 0.00 2.97 -0.48 -1.43 5.75 -1.25 0.19 116.55 122.29 1wfn n ASP 31 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1wfn n ASP 31 Cb 0.00 0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 -2.47 0.00 -3.73 2.12 -2.24 -1.26 -0.99 114.28 105.72 1wfn n THR 32 Ca -0.16 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 1wfn n THR 32 Cb 0.76 0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.90 -0.38 -0.05 3.42 1.04 -1.26 -1.65 113.70 113.92 1wfn s SER 33 Ca 0.00 0.70 -0.19 0.00 0.48 0.00 0.00 55.95 56.94 1wfn s SER 33 Cb 0.00 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.78 1wfn s SER 33 CO 0.00 -0.16 0.43 -1.48 0.98 0.00 0.00 173.24 173.01 1wfn s LEU 34 N 0.98 0.37 -0.04 2.42 0.05 -0.88 0.98 118.68 122.57 1wfn s LEU 34 Ca -0.07 0.37 -0.17 0.00 0.05 0.00 0.00 54.13 54.32 1wfn s LEU 34 Cb -0.07 1.65 -0.05 0.00 -2.05 0.00 0.00 46.19 45.66 1wfn s LEU 34 CO -0.07 -0.45 0.45 -0.75 -0.55 0.00 0.00 176.35 174.98 1wfn s LYS 35 N -1.06 4.12 -0.12 1.48 2.36 -0.29 0.52 119.74 126.75 1wfn s LYS 35 Ca -0.11 0.46 -0.00 0.00 -2.55 0.00 0.00 55.97 53.77 1wfn s LYS 35 Cb -0.04 -3.30 -0.02 0.00 -1.05 0.00 0.00 37.83 33.42 1wfn s LYS 35 CO 0.05 0.48 -0.10 0.08 1.55 0.00 0.00 175.35 177.42 1wfn s VAL 36 N -0.44 3.37 -0.00 4.02 1.01 0.59 -1.71 120.40 127.24 1wfn s VAL 36 Ca 0.25 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1wfn s VAL 36 Cb -0.16 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.80 1wfn s VAL 36 CO 0.13 0.54 -0.04 -0.94 0.00 0.00 0.00 175.10 174.79 1wfn s SER 37 N 0.02 0.47 0.02 3.32 1.04 0.44 0.17 113.70 119.17 1wfn s SER 37 Ca -0.03 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.31 1wfn s SER 37 Cb -0.14 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 1wfn s SER 37 CO 0.04 0.03 0.02 -2.67 0.98 0.00 0.00 173.24 171.63 1wfn n TRP 38 N 2.88 -0.05 -4.37 5.02 2.14 0.22 0.10 117.44 123.38 1wfn n TRP 38 Ca -0.13 -0.20 -0.22 0.00 2.07 0.00 0.00 57.50 59.02 1wfn n TRP 38 Cb 0.58 0.02 -0.08 0.00 -0.81 0.00 0.00 31.31 31.03 1wfn n TRP 38 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1wfn n GLN 39 N -0.05 0.47 -2.65 -2.67 1.13 -1.26 -4.74 117.38 107.61 1wfn n GLN 39 Ca 0.01 -3.45 -0.41 0.00 -1.94 0.00 0.00 57.00 51.21 1wfn n GLN 39 Cb 0.04 2.46 -0.05 0.00 0.11 0.00 0.00 30.24 32.81 1wfn n GLN 39 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1wfn s GLU 40 N -3.46 4.73 0.66 -1.09 -6.30 -1.26 0.07 118.70 112.05 1wfn s GLU 40 Ca 0.33 1.58 -0.12 0.00 -2.50 0.00 0.00 54.97 54.26 1wfn s GLU 40 Cb 0.02 -3.29 -0.01 0.00 0.00 0.00 0.00 34.13 30.85 1wfn s GLU 40 CO 0.24 0.30 1.06 -1.25 0.02 0.00 0.00 175.26 175.62 1wfn s PRO 41 N -0.74 3.07 0.00 4.30 0.04 -1.26 -3.96 135.00 136.44 1wfn s PRO 41 Ca 0.45 1.01 0.08 0.00 0.04 0.00 0.00 61.00 62.57 1wfn s PRO 41 Cb -0.27 -2.01 0.45 0.00 0.04 0.00 0.00 34.50 32.71 1wfn s PRO 41 CO 0.33 -1.00 1.28 0.41 0.04 0.00 0.00 177.00 178.07 1wfn n GLY 42 N -1.75 -0.99 2.40 0.56 0.00 -1.26 -4.07 105.19 100.08 1wfn n GLY 42 Ca 0.08 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.62 1.03 -0.11 1.61 -0.58 -1.26 -4.94 120.64 115.77 1wfn n GLU 43 Ca 0.06 -3.65 -0.09 0.00 -0.42 0.00 0.00 57.16 53.05 1wfn n GLU 43 Cb 0.03 -1.70 -0.02 0.00 -0.57 0.00 0.00 31.44 29.18 1wfn n GLU 43 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1wfn h LYS 44 N 4.75 0.49 -6.80 3.49 1.57 -1.95 -1.99 116.57 116.14 1wfn h LYS 44 Ca 0.17 -0.08 -0.51 0.00 -1.87 0.00 0.00 60.65 58.35 1wfn h LYS 44 Cb 0.83 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1wfn h LYS 44 CO 0.54 0.46 -1.09 0.09 -0.57 0.00 0.00 179.45 178.88 1wfn n ASN 45 N -4.73 -4.59 0.00 0.86 3.02 -1.26 -4.30 115.26 104.26 1wfn n ASN 45 Ca -0.01 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1wfn n ASN 45 Cb 0.12 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 37.72 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 -1.73 1.05 3.53 7.41 0.00 -1.26 -4.61 105.19 109.59 1wfn n GLY 46 Ca -0.28 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.16 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 -1.38 4.55 0.56 -0.61 -1.09 -1.26 -5.00 121.20 116.97 1wfn s ILE 47 Ca 0.00 0.39 -0.17 0.00 -2.23 0.00 0.00 60.65 58.63 1wfn s ILE 47 Cb 0.00 -4.41 -0.15 0.00 -1.58 0.00 0.00 42.46 36.33 1wfn s ILE 47 CO 0.00 -0.87 -0.22 0.18 -1.23 0.00 0.00 174.94 172.80 1wfn n LEU 48 N 6.99 -3.91 0.00 2.97 4.77 -1.26 -4.27 117.00 122.29 1wfn n LEU 48 Ca 0.02 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1wfn n LEU 48 Cb 0.48 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1wfn n LEU 48 CO 0.61 -4.84 0.17 0.35 -1.33 0.00 0.00 177.39 172.35 1wfn n THR 49 N -1.61 0.04 -0.27 -5.08 -2.24 0.75 -4.80 114.28 101.07 1wfn n THR 49 Ca 0.06 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1wfn n THR 49 Cb 0.47 1.33 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 1wfn n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfn n GLY 50 N -0.02 -0.38 3.00 3.38 0.00 -0.77 -4.31 105.19 106.09 1wfn n GLY 50 Ca 0.00 -1.70 -0.19 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.56 0.77 -0.38 1.61 2.02 0.10 0.20 117.35 120.13 1wfn s TYR 51 Ca 0.00 -0.16 -0.12 0.00 -0.37 0.00 0.00 57.07 56.42 1wfn s TYR 51 Cb 0.00 -0.53 0.02 0.00 -0.40 0.00 0.00 41.96 41.06 1wfn s TYR 51 CO 0.00 -0.04 0.22 0.50 -1.57 0.00 0.00 175.55 174.66 1wfn s ARG 52 N -0.03 2.87 0.04 -0.62 3.52 0.53 -1.23 118.95 124.04 1wfn s ARG 52 Ca 0.01 -1.06 0.02 0.00 -0.13 0.00 0.00 55.73 54.57 1wfn s ARG 52 Cb -0.05 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.53 1wfn s ARG 52 CO -0.00 -0.70 0.07 -1.50 -0.81 0.00 0.00 175.30 172.36 1wfn s ILE 53 N 1.58 4.55 -0.22 4.11 2.07 -1.17 0.36 121.20 132.47 1wfn s ILE 53 Ca 0.03 -0.62 -0.04 0.00 -1.41 0.00 0.00 60.65 58.60 1wfn s ILE 53 Cb -0.19 -3.13 0.12 0.00 0.13 0.00 0.00 42.46 39.38 1wfn s ILE 53 CO 0.07 0.24 0.40 -0.44 -1.91 0.00 0.00 174.94 173.30 1wfn s SER 54 N -2.06 -0.02 0.04 4.50 0.01 0.10 -2.30 113.70 113.98 1wfn s SER 54 Ca 0.26 0.58 0.00 0.00 1.31 0.00 0.00 55.95 58.10 1wfn s SER 54 Cb -0.12 1.24 -0.04 0.00 0.21 0.00 0.00 66.02 67.31 1wfn s SER 54 CO 0.18 -0.27 0.13 -1.66 0.41 0.00 0.00 173.24 172.03 1wfn s TRP 55 N 2.58 3.36 -0.11 2.43 -2.14 -1.26 0.10 118.94 123.91 1wfn s TRP 55 Ca 0.07 0.20 -0.30 0.00 2.66 0.00 0.00 56.10 58.73 1wfn s TRP 55 Cb -0.14 -1.72 0.12 0.00 -3.10 0.00 0.00 33.47 28.63 1wfn s TRP 55 CO -0.14 0.57 0.97 -1.83 -2.66 0.00 0.00 176.95 173.85 1wfn s GLU 56 N -2.18 0.66 0.55 3.25 -1.05 -0.47 -2.15 118.70 117.32 1wfn s GLU 56 Ca 0.29 -0.02 -0.08 0.00 -0.15 0.00 0.00 54.97 55.01 1wfn s GLU 56 Cb -0.12 0.31 0.12 0.00 -0.44 0.00 0.00 34.13 33.99 1wfn s GLU 56 CO 0.21 -0.24 0.26 0.39 0.95 0.00 0.00 175.26 176.83 1wfn n GLU 57 N 0.34 -1.27 0.29 -4.83 1.02 -1.25 0.20 120.64 115.14 1wfn n GLU 57 Ca -0.09 -0.44 -0.12 0.00 -0.02 0.00 0.00 57.16 56.49 1wfn n GLU 57 Cb 0.59 -0.79 -0.06 0.00 -0.02 0.00 0.00 31.44 31.17 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 -2.31 -0.71 -2.15 -0.32 3.20 -0.45 -3.15 116.97 111.08 1wfn h TYR 58 Ca -0.12 -0.02 -0.58 0.00 3.14 0.00 0.00 58.73 61.16 1wfn h TYR 58 Cb 0.41 0.24 -0.41 0.00 1.54 0.00 0.00 36.73 38.50 1wfn h TYR 58 CO 0.00 -0.44 -0.78 0.27 -1.64 0.00 0.00 178.16 175.57 1wfn n ASN 59 N -4.69 2.82 -3.20 -2.11 6.94 -1.26 -4.83 115.26 108.94 1wfn n ASN 59 Ca -0.10 -3.28 -0.00 0.00 -0.02 0.00 0.00 54.58 51.18 1wfn n ASN 59 Cb 0.30 -0.64 -0.02 0.00 -2.36 0.00 0.00 39.78 37.07 1wfn n ASN 59 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1wfn s ARG 60 N -2.39 0.51 0.09 -3.83 0.52 -1.26 -4.99 118.95 107.60 1wfn s ARG 60 Ca 0.41 0.43 0.25 0.00 -0.52 0.00 0.00 55.73 56.30 1wfn s ARG 60 Cb 0.20 0.08 1.00 0.00 0.52 0.00 0.00 34.95 36.75 1wfn s ARG 60 CO -0.07 -1.04 1.80 2.41 0.02 0.00 0.00 175.30 178.42 1wfn n THR 61 N 5.40 0.40 1.46 0.02 -1.04 -1.26 -2.51 114.28 116.75 1wfn n THR 61 Ca 0.04 -0.02 0.14 0.00 -2.04 0.00 0.00 64.05 62.16 1wfn n THR 61 Cb 0.52 -0.66 0.74 0.00 -1.82 0.00 0.00 70.33 69.11 1wfn n THR 61 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1wfn n ASN 62 N -1.79 0.00 -0.73 8.00 0.23 -1.26 -2.68 115.26 117.04 1wfn n ASN 62 Ca 0.06 -0.40 0.04 0.00 -0.53 0.00 0.00 54.58 53.74 1wfn n ASN 62 Cb 0.33 -0.18 0.21 0.00 -2.08 0.00 0.00 39.78 38.06 1wfn n ASN 62 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1wfn n THR 63 N -1.18 2.29 -3.77 5.53 -2.24 -1.05 -5.02 114.28 108.85 1wfn n THR 63 Ca 0.16 -3.10 -0.37 0.00 -2.27 0.00 0.00 64.05 58.47 1wfn n THR 63 Cb 0.17 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 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 -3.23 3.62 0.27 -0.78 3.52 -1.09 -3.81 118.95 117.45 1wfn s ARG 64 Ca 0.39 0.01 0.12 0.00 -0.13 0.00 0.00 55.73 56.12 1wfn s ARG 64 Cb 0.38 -3.22 -0.05 0.00 -1.56 0.00 0.00 34.95 30.50 1wfn s ARG 64 CO -0.05 0.72 -0.20 0.54 -0.81 0.00 0.00 175.30 175.49 1wfn s VAL 65 N -0.92 2.45 -0.18 7.11 0.11 -0.91 -4.99 120.40 123.06 1wfn s VAL 65 Ca 0.17 -2.38 0.00 0.00 -2.93 0.00 0.00 61.98 56.84 1wfn s VAL 65 Cb -0.13 -2.28 0.04 0.00 -1.53 0.00 0.00 36.38 32.48 1wfn s VAL 65 CO 0.06 -0.39 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.47 1wfn s THR 66 N -2.48 1.41 0.23 5.04 2.01 -1.26 -4.01 115.64 116.58 1wfn s THR 66 Ca 0.29 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.55 1wfn s THR 66 Cb -0.05 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1wfn s THR 66 CO 0.14 0.16 -0.14 -1.00 -0.69 0.00 0.00 174.62 173.10 1wfn s HIS 67 N 1.50 1.85 -0.05 4.92 3.76 -0.97 -5.05 115.29 121.26 1wfn s HIS 67 Ca -0.00 -0.55 0.02 0.00 -0.15 0.00 0.00 55.06 54.38 1wfn s HIS 67 Cb -0.16 -0.88 0.02 0.00 1.11 0.00 0.00 32.58 32.67 1wfn s HIS 67 CO -0.08 0.41 -0.08 0.71 -0.85 0.00 0.00 174.74 174.85 1wfn s TYR 68 N -2.89 1.01 0.22 1.40 2.02 -1.26 -3.05 117.35 114.80 1wfn s TYR 68 Ca 0.25 -0.32 0.07 0.00 -0.37 0.00 0.00 57.07 56.71 1wfn s TYR 68 Cb -0.01 -0.79 -0.05 0.00 -0.40 0.00 0.00 41.96 40.71 1wfn s TYR 68 CO 0.09 -0.20 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.24 1wfn s LEU 69 N 0.67 2.53 1.00 -1.29 1.43 -0.36 -4.96 118.68 117.69 1wfn s LEU 69 Ca -0.11 -1.06 -0.15 0.00 -1.03 0.00 0.00 54.13 51.78 1wfn s LEU 69 Cb -0.14 -0.65 0.19 0.00 0.03 0.00 0.00 46.19 45.62 1wfn s LEU 69 CO 0.01 -0.22 1.18 -2.16 0.23 0.00 0.00 176.35 175.40 1wfn s PRO 70 N -3.67 0.40 -0.05 1.29 0.04 -1.26 0.03 135.00 131.77 1wfn s PRO 70 Ca 0.24 0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.32 1wfn s PRO 70 Cb 0.00 -1.78 0.19 0.00 0.04 0.00 0.00 34.50 32.96 1wfn s PRO 70 CO 0.08 -2.64 0.80 0.27 0.04 0.00 0.00 177.00 175.55 1wfn n ASN 71 N -4.02 2.09 -0.00 6.66 6.94 -1.26 -2.85 115.26 122.82 1wfn n ASN 71 Ca 0.11 -2.21 0.02 0.00 -0.02 0.00 0.00 54.58 52.47 1wfn n ASN 71 Cb 0.59 -0.53 -0.03 0.00 -2.36 0.00 0.00 39.78 37.45 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 0.14 0.00 -4.23 3.53 0.24 -1.26 -4.92 118.33 111.83 1wfn n VAL 72 Ca 0.07 -0.16 -0.35 0.00 -2.04 0.00 0.00 64.34 61.86 1wfn n VAL 72 Cb 0.47 0.53 -0.08 0.00 -1.47 0.00 0.00 33.84 33.28 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 -2.10 4.59 0.00 3.34 2.01 -1.13 -4.97 115.64 117.39 1wfn s THR 73 Ca -0.01 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1wfn s THR 73 Cb 0.03 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1wfn s THR 73 CO 0.17 0.55 0.54 0.18 -0.69 0.00 0.00 174.62 175.37 1wfn n LEU 74 N 1.90 0.51 -3.99 4.42 4.77 -1.26 -4.74 117.00 118.61 1wfn n LEU 74 Ca -0.18 -0.51 -0.09 0.00 -0.03 0.00 0.00 56.01 55.20 1wfn n LEU 74 Cb 0.54 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 1wfn n LEU 74 CO 0.31 0.13 -0.36 -1.83 -1.33 0.00 0.00 177.39 174.30 1wfn s GLU 75 N -0.23 0.33 -0.01 3.23 1.03 -1.26 0.71 118.70 122.50 1wfn s GLU 75 Ca 0.00 -0.63 -0.27 0.00 0.03 0.00 0.00 54.97 54.10 1wfn s GLU 75 Cb 0.00 0.08 0.06 0.00 -0.80 0.00 0.00 34.13 33.47 1wfn s GLU 75 CO 0.00 -0.04 0.60 -0.47 -1.33 0.00 0.00 175.26 174.02 1wfn s TYR 76 N -1.48 -0.55 -0.18 4.83 6.14 0.44 -4.96 117.35 121.59 1wfn s TYR 76 Ca -0.15 0.85 -0.14 0.00 0.64 0.00 0.00 57.07 58.27 1wfn s TYR 76 Cb -0.10 0.37 -0.05 0.00 0.42 0.00 0.00 41.96 42.61 1wfn s TYR 76 CO -0.01 -0.61 0.29 0.50 0.64 0.00 0.00 175.55 176.36 1wfn s ARG 77 N -1.64 4.22 0.09 4.97 3.52 -1.26 0.22 118.95 129.06 1wfn s ARG 77 Ca -0.09 0.06 -0.01 0.00 -0.13 0.00 0.00 55.73 55.55 1wfn s ARG 77 Cb -0.01 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 1wfn s ARG 77 CO 0.05 0.17 0.26 0.08 -0.81 0.00 0.00 175.30 175.05 1wfn s VAL 78 N 0.69 5.32 -0.10 7.11 1.01 0.18 -4.95 120.40 129.66 1wfn s VAL 78 Ca 0.15 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 1wfn s VAL 78 Cb -0.13 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.66 1wfn s VAL 78 CO 0.04 0.11 0.46 0.42 0.00 0.00 0.00 175.10 176.13 1wfn s THR 79 N -1.56 0.02 0.00 3.92 -4.23 -1.26 -2.07 115.64 110.46 1wfn s THR 79 Ca 0.37 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 1wfn s THR 79 Cb -0.13 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.01 1wfn s THR 79 CO 0.27 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 1wfn n GLY 80 N 2.01 1.56 0.00 3.99 0.00 -0.66 -5.02 105.19 107.08 1wfn n GLY 80 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1wfn n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wfn n LEU 81 N 0.00 0.00 -4.10 0.99 4.77 -0.91 -5.07 117.00 112.67 1wfn n LEU 81 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1wfn n LEU 81 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1wfn n LEU 81 CO 0.00 0.00 -0.41 -0.89 -1.33 0.00 0.00 177.39 174.76 1wfn s THR 82 N 1.22 0.70 0.37 -5.08 2.01 -1.24 -4.73 115.64 108.89 1wfn s THR 82 Ca 0.00 -1.25 -0.26 0.00 0.31 0.00 0.00 61.69 60.49 1wfn s THR 82 Cb 0.00 -0.87 -0.09 0.00 0.01 0.00 0.00 72.50 71.56 1wfn s THR 82 CO 0.00 -0.41 1.12 0.00 -0.69 0.00 0.00 174.62 174.63 1wfn s ALA 83 N -1.66 3.20 -1.20 7.40 0.00 -0.16 -3.61 121.76 125.74 1wfn s ALA 83 Ca -0.05 0.87 -0.34 0.00 0.00 0.00 0.00 51.96 52.44 1wfn s ALA 83 Cb -0.08 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.75 1wfn s ALA 83 CO 0.00 -0.34 0.68 1.28 0.00 0.00 0.00 175.76 177.38 1wfn n LEU 84 N 0.33 -0.24 -3.90 0.00 4.77 -1.26 -4.94 117.00 111.75 1wfn n LEU 84 Ca 0.03 -1.30 -0.11 0.00 -0.03 0.00 0.00 56.01 54.60 1wfn n LEU 84 Cb 0.47 -1.60 -0.12 0.00 -2.33 0.00 0.00 43.42 39.83 1wfn n LEU 84 CO 0.50 0.81 -0.32 -0.89 -1.33 0.00 0.00 177.39 176.15 1wfn s THR 85 N -3.50 0.05 -0.07 -5.08 2.01 -1.24 -4.92 115.64 102.89 1wfn s THR 85 Ca 0.48 -0.38 -0.27 0.00 0.31 0.00 0.00 61.69 61.82 1wfn s THR 85 Cb -0.26 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 1wfn s THR 85 CO 0.97 -0.21 0.88 -0.89 -0.69 0.00 0.00 174.62 174.68 1wfn s THR 86 N -0.63 4.90 0.09 -0.82 2.01 -1.26 0.08 115.64 120.01 1wfn s THR 86 Ca -0.07 1.81 0.04 0.00 0.31 0.00 0.00 61.69 63.78 1wfn s THR 86 Cb -0.04 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 1wfn s THR 86 CO -0.00 0.13 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.64 1wfn s TYR 87 N 1.36 1.08 -0.16 4.92 1.51 0.41 0.31 117.35 126.78 1wfn s TYR 87 Ca 0.45 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1wfn s TYR 87 Cb -0.19 -0.59 0.02 0.00 -0.11 0.00 0.00 41.96 41.09 1wfn s TYR 87 CO 0.20 0.01 -0.20 0.99 -1.11 0.00 0.00 175.55 175.45 1wfn s THR 88 N -2.05 1.99 -0.26 -0.71 2.01 0.53 0.22 115.64 117.37 1wfn s THR 88 Ca 0.02 -0.91 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 1wfn s THR 88 Cb -0.05 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1wfn s THR 88 CO 0.01 0.53 0.10 -0.63 -0.69 0.00 0.00 174.62 173.93 1wfn s ILE 89 N 1.16 4.52 -0.20 1.82 -1.09 -0.60 -1.36 121.20 125.45 1wfn s ILE 89 Ca 0.01 -0.10 -0.07 0.00 -2.23 0.00 0.00 60.65 58.26 1wfn s ILE 89 Cb -0.14 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 1wfn s ILE 89 CO -0.09 0.32 0.05 -1.61 -1.23 0.00 0.00 174.94 172.38 1wfn s GLU 90 N 1.65 3.85 -0.16 2.79 2.02 0.12 -1.52 118.70 127.44 1wfn s GLU 90 Ca 0.07 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.67 1wfn s GLU 90 Cb -0.15 -3.21 0.01 0.00 0.10 0.00 0.00 34.13 30.88 1wfn s GLU 90 CO 0.05 0.14 -0.19 0.08 0.02 0.00 0.00 175.26 175.36 1wfn s VAL 91 N 0.72 2.21 0.12 2.63 1.01 0.14 0.01 120.40 127.23 1wfn s VAL 91 Ca 0.03 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.17 1wfn s VAL 91 Cb -0.13 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1wfn s VAL 91 CO 0.02 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.48 1wfn s ALA 92 N 1.03 1.66 0.29 5.51 0.00 0.16 0.13 121.76 130.53 1wfn s ALA 92 Ca -0.02 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.69 1wfn s ALA 92 Cb -0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1wfn s ALA 92 CO -0.06 0.22 0.45 0.00 0.00 0.00 0.00 175.76 176.37 1wfn s ALA 93 N -1.69 3.83 -0.04 0.00 0.00 -1.24 0.20 121.76 122.82 1wfn s ALA 93 Ca 0.08 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.96 1wfn s ALA 93 Cb -0.07 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.16 1wfn s ALA 93 CO 0.04 0.11 -0.07 -1.64 0.00 0.00 0.00 175.76 174.20 1wfn s MET 94 N -4.14 0.96 0.00 0.00 -1.94 0.55 -1.45 119.30 113.28 1wfn s MET 94 Ca 0.37 -0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.14 1wfn s MET 94 Cb -0.09 -0.90 0.00 0.00 2.01 0.00 0.00 34.83 35.84 1wfn s MET 94 CO 0.32 0.00 0.00 0.25 -0.01 0.00 0.00 175.02 175.58 1wfn n THR 95 N 3.72 0.00 0.50 2.05 -2.24 -0.34 0.27 114.28 118.24 1wfn n THR 95 Ca -0.22 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1wfn n THR 95 Cb 0.52 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.53 0.00 -0.09 3.42 7.64 -1.26 -2.96 113.62 119.84 1wfn n SER 96 Ca 0.00 0.50 -0.15 0.00 1.01 0.00 0.00 58.87 60.23 1wfn n SER 96 Cb 0.00 -0.50 -0.07 0.00 -1.01 0.00 0.00 64.21 62.63 1wfn n SER 96 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wfn n LYS 97 N -1.50 0.52 0.00 1.43 4.76 -1.26 -5.10 118.16 117.01 1wfn n LYS 97 Ca 0.03 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 1wfn n LYS 97 Cb 0.17 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 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 1.49 -0.95 3.09 0.72 0.00 -1.16 -5.07 105.19 103.31 1wfn n GLY 98 Ca -0.23 0.54 -0.21 0.00 0.00 0.00 0.00 46.02 46.12 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 1.04 0.00 1.61 0.74 -1.26 -1.19 119.66 120.60 1wfn s GLN 99 Ca 0.00 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 54.94 1wfn s GLN 99 Cb 0.00 -1.01 0.00 0.00 1.10 0.00 0.00 33.01 33.10 1wfn s GLN 99 CO 0.00 0.28 0.00 0.41 -0.55 0.00 0.00 175.29 175.43 1wfn n GLY 100 N 2.74 2.90 3.14 2.59 0.00 -0.53 -4.80 105.19 111.24 1wfn n GLY 100 Ca -0.14 -2.00 -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 -0.60 -4.04 1.61 7.27 -0.82 -4.56 117.38 116.24 1wfn n GLN 101 Ca 0.00 -0.17 -0.15 0.00 0.07 0.00 0.00 57.00 56.75 1wfn n GLN 101 Cb 0.00 -1.34 -0.15 0.00 2.41 0.00 0.00 30.24 31.16 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 -2.13 0.26 -0.41 1.69 0.11 -1.26 -3.68 120.40 114.98 1wfn s VAL 102 Ca 0.46 -0.11 -0.11 0.00 -2.93 0.00 0.00 61.98 59.29 1wfn s VAL 102 Cb -0.05 -0.25 0.06 0.00 -1.53 0.00 0.00 36.38 34.61 1wfn s VAL 102 CO 0.69 0.09 0.27 -0.44 -3.33 0.00 0.00 175.10 172.37 1wfn s SER 103 N 0.14 5.77 -0.21 3.54 0.01 0.35 -4.84 113.70 118.45 1wfn s SER 103 Ca -0.01 -1.30 -0.06 0.00 1.31 0.00 0.00 55.95 55.89 1wfn s SER 103 Cb -0.04 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.13 1wfn s SER 103 CO -0.00 -0.51 0.02 0.00 0.41 0.00 0.00 173.24 173.16 1wfn s ALA 104 N 1.51 3.09 -0.04 1.44 0.00 -1.25 0.24 121.76 126.74 1wfn s ALA 104 Ca 0.03 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.01 1wfn s ALA 104 Cb -0.22 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1wfn s ALA 104 CO 0.04 -0.21 -0.13 -1.12 0.00 0.00 0.00 175.76 174.34 1wfn s SER 105 N 1.11 1.71 0.28 0.00 0.01 -0.58 -4.93 113.70 111.30 1wfn s SER 105 Ca 0.03 -0.28 -0.29 0.00 1.31 0.00 0.00 55.95 56.72 1wfn s SER 105 Cb -0.14 -0.50 -0.09 0.00 0.21 0.00 0.00 66.02 65.50 1wfn s SER 105 CO 0.02 0.10 1.02 -0.89 0.41 0.00 0.00 173.24 173.90 1wfn s THR 106 N 0.16 3.80 -0.17 1.44 2.01 -1.26 -1.56 115.64 120.06 1wfn s THR 106 Ca -0.04 1.75 -0.10 0.00 0.31 0.00 0.00 61.69 63.60 1wfn s THR 106 Cb -0.11 -4.09 0.06 0.00 0.01 0.00 0.00 72.50 68.37 1wfn s THR 106 CO 0.02 0.37 0.42 -0.51 -0.69 0.00 0.00 174.62 174.22 1wfn s ILE 107 N -1.25 -0.02 -0.28 1.82 1.10 0.60 -4.96 121.20 118.21 1wfn s ILE 107 Ca 0.45 0.07 -0.12 0.00 -0.51 0.00 0.00 60.65 60.54 1wfn s ILE 107 Cb -0.28 -0.61 -0.05 0.00 0.15 0.00 0.00 42.46 41.67 1wfn s ILE 107 CO 0.35 0.03 0.22 -0.55 -2.11 0.00 0.00 174.94 172.88 1wfn s SER 108 N 1.17 6.06 0.53 4.50 0.15 -1.26 0.15 113.70 125.00 1wfn s SER 108 Ca -0.08 0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.46 1wfn s SER 108 Cb -0.07 -2.13 -0.13 0.00 -1.71 0.00 0.00 66.02 61.97 1wfn s SER 108 CO -0.10 -0.07 -0.22 -1.54 1.20 0.00 0.00 173.24 172.51 1wfn n SER 109 N 5.08 -3.64 0.00 5.45 3.41 0.11 -4.83 113.62 119.20 1wfn n SER 109 Ca -0.13 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1wfn n SER 109 Cb 0.52 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 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 2.39 -1.62 3.64 5.00 0.00 0.50 -4.20 105.19 110.89 1wfn n GLY 110 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 0.14 -4.36 120.40 117.88 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 -0.21 4.36 0.13 1.54 0.04 -1.26 -3.87 135.00 135.73 1wfn s PRO 112 Ca 0.06 1.71 0.24 0.00 0.04 0.00 0.00 61.00 63.04 1wfn s PRO 112 Cb -0.04 -3.52 0.91 0.00 0.04 0.00 0.00 34.50 31.89 1wfn s PRO 112 CO -0.10 -0.42 1.73 -0.35 0.04 0.00 0.00 177.00 177.90 1wfn n PRO 113 N 4.97 0.13 -3.13 0.56 -0.04 -1.26 -4.41 135.00 131.83 1wfn n PRO 113 Ca 0.11 0.24 -0.45 0.00 -0.04 0.00 0.00 63.50 63.35 1wfn n PRO 113 Cb 0.46 -1.69 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 1wfn n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfn s SER 114 N -3.80 6.55 0.00 3.54 0.15 -1.26 -4.91 113.70 113.97 1wfn s SER 114 Ca 0.09 -2.11 0.00 0.00 0.70 0.00 0.00 55.95 54.63 1wfn s SER 114 Cb 0.12 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1wfn s SER 114 CO 0.45 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1wfn n GLY 115 N 4.88 0.98 0.19 9.45 0.00 -1.26 -4.95 105.19 114.48 1wfn n GLY 115 Ca 0.11 -1.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 1wfn n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfn h PRO 116 N 0.00 0.63 -6.06 1.61 0.13 -1.91 -3.49 132.00 122.91 1wfn h PRO 116 Ca 0.00 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1wfn h PRO 116 Cb 0.00 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1wfn h PRO 116 CO 0.00 1.22 -0.86 0.43 -0.23 0.00 0.00 178.00 178.56 1wfn n SER 117 N -4.01 -6.71 0.09 1.44 7.64 -1.26 -4.98 113.62 105.84 1wfn n SER 117 Ca -0.10 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1wfn n SER 117 Cb 0.77 -2.39 0.00 0.00 -1.01 0.00 0.00 64.21 61.57 1wfn n SER 117 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfn n SER 118 N 1.42 0.40 0.00 6.43 2.88 -1.26 -5.17 113.62 118.32 1wfn n SER 118 Ca -0.02 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1wfn n SER 118 Cb 0.34 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1wfn n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42