#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfu n SER 2 N 0.00 -3.87 -0.29 1.61 2.88 -1.26 -4.93 113.62 107.77 1wfu n SER 2 Ca 0.00 -0.31 -0.08 0.00 -1.33 0.00 0.00 58.87 57.15 1wfu n SER 2 Cb 0.00 -3.04 -0.07 0.00 -0.75 0.00 0.00 64.21 60.35 1wfu n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfu n SER 3 N -1.30 -0.73 0.00 -3.46 2.88 -1.26 -4.93 113.62 104.82 1wfu n SER 3 Ca -0.03 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 1wfu n SER 3 Cb 0.55 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1wfu n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfu n GLY 4 N -1.17 -2.77 3.03 0.46 0.00 -1.26 -5.06 105.19 98.42 1wfu n GLY 4 Ca 0.01 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 1wfu n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfu s SER 5 N -1.82 0.10 0.13 1.61 1.04 -1.26 -5.17 113.70 108.33 1wfu s SER 5 Ca 0.00 -0.27 -0.20 0.00 0.48 0.00 0.00 55.95 55.95 1wfu s SER 5 Cb 0.00 0.15 0.05 0.00 0.10 0.00 0.00 66.02 66.33 1wfu s SER 5 CO 0.00 -0.28 0.51 -0.94 0.98 0.00 0.00 173.24 173.51 1wfu s SER 6 N -1.18 -0.43 0.00 7.02 1.04 -1.26 -5.06 113.70 113.83 1wfu s SER 6 Ca -0.13 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1wfu s SER 6 Cb -0.07 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1wfu s SER 6 CO 0.00 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1wfu n GLY 7 N -0.19 0.49 3.21 7.32 0.00 -1.26 -5.13 105.19 109.63 1wfu n GLY 7 Ca -0.17 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 1wfu n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wfu s MET 8 N -0.26 3.16 0.02 1.61 0.00 -1.26 -5.11 119.30 117.46 1wfu s MET 8 Ca 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 55.69 54.99 1wfu s MET 8 Cb 0.00 -2.73 -0.02 0.00 0.00 0.00 0.00 34.83 32.08 1wfu s MET 8 CO 0.00 -0.17 -0.14 -2.00 0.00 0.00 0.00 175.02 172.71 1wfu s GLU 9 N 1.28 1.04 1.11 4.11 2.12 -1.26 -5.15 118.70 121.94 1wfu s GLU 9 Ca 0.04 -0.66 -0.16 0.00 0.36 0.00 0.00 54.97 54.55 1wfu s GLU 9 Cb -0.14 -1.03 0.24 0.00 0.26 0.00 0.00 34.13 33.46 1wfu s GLU 9 CO -0.08 0.27 1.10 -1.25 -0.54 0.00 0.00 175.26 174.76 1wfu s PRO 10 N -0.81 -0.45 1.25 4.30 0.04 -1.26 -5.03 135.00 133.04 1wfu s PRO 10 Ca 0.03 0.21 -0.20 0.00 0.04 0.00 0.00 61.00 61.09 1wfu s PRO 10 Cb -0.07 -1.66 0.31 0.00 0.04 0.00 0.00 34.50 33.12 1wfu s PRO 10 CO 0.01 -3.26 0.69 0.72 0.04 0.00 0.00 177.00 175.20 1wfu n HIS 11 N -4.49 -3.33 -0.28 0.56 8.25 -1.26 -4.72 115.22 109.95 1wfu n HIS 11 Ca 0.09 -0.56 0.33 0.00 -0.26 0.00 0.00 57.72 57.32 1wfu n HIS 11 Cb 0.58 -1.19 0.67 0.00 1.12 0.00 0.00 29.99 31.17 1wfu n HIS 11 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1wfu h LYS 12 N 0.00 0.00 -6.53 -0.41 2.10 -2.09 -3.39 116.57 106.26 1wfu h LYS 12 Ca -0.32 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 57.81 1wfu h LYS 12 Cb 1.06 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.36 1wfu h LYS 12 CO 0.19 0.00 0.14 0.08 -2.00 0.00 0.00 179.45 177.86 1wfu s VAL 13 N -4.70 4.47 -0.38 0.07 1.01 -1.26 -5.04 120.40 114.55 1wfu s VAL 13 Ca -0.04 1.51 -0.15 0.00 0.00 0.00 0.00 61.98 63.31 1wfu s VAL 13 Cb 0.19 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1wfu s VAL 13 CO 0.66 0.40 0.30 -0.69 0.00 0.00 0.00 175.10 175.78 1wfu s VAL 14 N -1.30 5.24 0.93 2.92 1.01 -1.26 -4.78 120.40 123.16 1wfu s VAL 14 Ca 0.38 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 1wfu s VAL 14 Cb -0.20 -3.87 0.15 0.00 0.00 0.00 0.00 36.38 32.46 1wfu s VAL 14 CO 0.24 -0.21 1.09 -2.16 0.00 0.00 0.00 175.10 174.06 1wfu s PRO 15 N 1.78 0.99 0.89 2.72 0.04 -1.26 -5.02 135.00 135.14 1wfu s PRO 15 Ca 0.07 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 1wfu s PRO 15 Cb -0.18 -1.79 0.13 0.00 0.04 0.00 0.00 34.50 32.70 1wfu s PRO 15 CO 0.11 -2.40 1.10 -0.48 0.04 0.00 0.00 177.00 175.37 1wfu s LEU 16 N -6.30 2.59 0.38 -3.56 0.05 -1.26 -4.96 118.68 105.62 1wfu s LEU 16 Ca 0.64 1.85 -0.27 0.00 0.05 0.00 0.00 54.13 56.40 1wfu s LEU 16 Cb -0.18 -4.30 -0.09 0.00 -2.05 0.00 0.00 46.19 39.57 1wfu s LEU 16 CO 0.57 -2.75 1.33 -0.44 -0.55 0.00 0.00 176.35 174.51 1wfu s SER 17 N -3.06 6.43 0.32 1.48 0.01 -1.26 -4.87 113.70 112.75 1wfu s SER 17 Ca 0.64 2.72 -0.29 0.00 1.31 0.00 0.00 55.95 60.33 1wfu s SER 17 Cb -0.20 -2.65 -0.11 0.00 0.21 0.00 0.00 66.02 63.28 1wfu s SER 17 CO 0.58 -0.77 1.49 -0.54 0.41 0.00 0.00 173.24 174.41 1wfu s LYS 18 N -2.10 4.17 0.28 12.44 1.02 -1.26 -4.87 119.74 129.41 1wfu s LYS 18 Ca 0.54 2.48 -0.29 0.00 0.02 0.00 0.00 55.97 58.72 1wfu s LYS 18 Cb -0.40 -3.02 -0.10 0.00 -0.52 0.00 0.00 37.83 33.80 1wfu s LYS 18 CO 0.52 -0.50 1.25 -1.25 -0.92 0.00 0.00 175.35 174.45 1wfu s PRO 19 N -1.28 4.44 0.71 -1.68 0.04 -1.26 -5.01 135.00 130.97 1wfu s PRO 19 Ca 0.57 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.55 1wfu s PRO 19 Cb -0.45 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 30.96 1wfu s PRO 19 CO 0.54 -0.10 1.07 -3.38 0.04 0.00 0.00 177.00 175.17 1wfu s HIS 20 N -0.76 3.14 0.32 0.56 -3.43 -1.26 -4.05 115.29 109.81 1wfu s HIS 20 Ca 0.50 1.29 -0.29 0.00 -0.80 0.00 0.00 55.06 55.77 1wfu s HIS 20 Cb -0.37 -2.94 -0.10 0.00 -1.43 0.00 0.00 32.58 27.75 1wfu s HIS 20 CO 0.45 -1.28 1.22 -1.25 -2.00 0.00 0.00 174.74 171.88 1wfu s PRO 21 N -5.13 4.41 0.44 -0.38 0.04 -1.26 -4.85 135.00 128.27 1wfu s PRO 21 Ca 0.58 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 63.43 1wfu s PRO 21 Cb -0.13 -3.06 -0.08 0.00 0.04 0.00 0.00 34.50 31.26 1wfu s PRO 21 CO 0.54 -0.07 1.17 -1.25 0.04 0.00 0.00 177.00 177.43 1wfu s PRO 22 N -1.74 3.86 0.40 0.56 0.04 -1.26 -4.97 135.00 131.89 1wfu s PRO 22 Ca 0.48 1.81 -0.05 0.00 0.04 0.00 0.00 61.00 63.28 1wfu s PRO 22 Cb -0.36 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 1wfu s PRO 22 CO 0.47 -0.48 0.70 0.08 0.04 0.00 0.00 177.00 177.81 1wfu s VAL 23 N -1.49 4.94 -0.32 -0.36 1.01 -0.99 -4.87 120.40 118.32 1wfu s VAL 23 Ca 0.61 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1wfu s VAL 23 Cb -0.30 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.35 1wfu s VAL 23 CO 0.37 -0.62 0.03 -0.69 0.00 0.00 0.00 175.10 174.18 1wfu s VAL 24 N -2.46 2.71 0.00 2.92 1.01 -1.26 -1.65 120.40 121.68 1wfu s VAL 24 Ca 0.46 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1wfu s VAL 24 Cb -0.10 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1wfu s VAL 24 CO 0.37 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1wfu n GLY 25 N 4.49 0.88 3.73 4.51 0.00 -1.22 -4.89 105.19 112.69 1wfu n GLY 25 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1wfu n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wfu s LYS 26 N -0.30 4.44 -0.37 1.61 2.20 -1.26 -4.98 119.74 121.08 1wfu s LYS 26 Ca 0.00 0.92 0.02 0.00 -0.36 0.00 0.00 55.97 56.56 1wfu s LYS 26 Cb 0.00 -3.42 0.11 0.00 -1.51 0.00 0.00 37.83 33.01 1wfu s LYS 26 CO 0.00 0.14 0.11 0.08 -0.36 0.00 0.00 175.35 175.31 1wfu s VAL 27 N 0.52 2.55 0.06 4.02 1.01 -1.26 -1.21 120.40 126.10 1wfu s VAL 27 Ca 0.38 -2.36 0.01 0.00 0.00 0.00 0.00 61.98 60.01 1wfu s VAL 27 Cb -0.18 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1wfu s VAL 27 CO 0.19 -0.64 0.14 0.42 0.00 0.00 0.00 175.10 175.22 1wfu s THR 28 N 0.86 4.97 -2.00 3.92 -4.23 -0.96 -4.45 115.64 113.74 1wfu s THR 28 Ca 0.11 -0.55 0.11 0.00 -1.18 0.00 0.00 61.69 60.18 1wfu s THR 28 Cb -0.20 -3.40 0.32 0.00 1.34 0.00 0.00 72.50 70.56 1wfu s THR 28 CO -0.07 0.16 1.23 0.00 -0.54 0.00 0.00 174.62 175.40 1wfu n HIS 29 N 0.45 0.00 0.00 3.99 1.44 -1.26 -2.44 115.22 117.40 1wfu n HIS 29 Ca -0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 1wfu n HIS 29 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 1wfu n HIS 29 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1wfu n HIS 30 N -0.74 0.00 -3.83 -1.40 -0.00 -1.26 -2.69 115.22 105.30 1wfu n HIS 30 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.73 1wfu n HIS 30 Cb 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.05 1wfu n HIS 30 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1wfu s SER 31 N -1.00 -0.01 -0.04 4.39 0.01 -1.02 -1.86 113.70 114.17 1wfu s SER 31 Ca 0.00 -1.01 -0.01 0.00 1.31 0.00 0.00 55.95 56.24 1wfu s SER 31 Cb 0.00 0.76 0.03 0.00 0.21 0.00 0.00 66.02 67.02 1wfu s SER 31 CO 0.00 -1.50 0.04 -0.63 0.41 0.00 0.00 173.24 171.56 1wfu s ILE 32 N -2.33 -0.02 0.13 1.44 1.01 -0.92 -2.26 121.20 118.26 1wfu s ILE 32 Ca 0.17 0.31 -0.27 0.00 0.00 0.00 0.00 60.65 60.85 1wfu s ILE 32 Cb -0.04 -0.18 -0.07 0.00 0.01 0.00 0.00 42.46 42.17 1wfu s ILE 32 CO 0.10 0.16 0.86 -0.70 0.00 0.00 0.00 174.94 175.36 1wfu s GLU 33 N 1.73 4.64 -0.03 2.79 2.12 -0.35 -0.89 118.70 128.72 1wfu s GLU 33 Ca -0.00 1.28 -0.02 0.00 0.36 0.00 0.00 54.97 56.59 1wfu s GLU 33 Cb -0.12 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.95 1wfu s GLU 33 CO -0.03 0.38 0.07 -0.51 -0.54 0.00 0.00 175.26 174.63 1wfu s LEU 34 N -0.54 1.58 -0.10 2.70 1.43 -0.58 -3.44 118.68 119.73 1wfu s LEU 34 Ca 0.41 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.60 1wfu s LEU 34 Cb -0.23 0.19 0.05 0.00 0.03 0.00 0.00 46.19 46.23 1wfu s LEU 34 CO 0.28 -0.05 0.21 -0.72 0.23 0.00 0.00 176.35 176.30 1wfu s TYR 35 N 0.27 -0.29 -0.74 0.29 -0.85 -0.66 0.70 117.35 116.07 1wfu s TYR 35 Ca -0.02 0.77 0.14 0.00 -0.52 0.00 0.00 57.07 57.44 1wfu s TYR 35 Cb -0.03 -0.14 0.44 0.00 0.38 0.00 0.00 41.96 42.60 1wfu s TYR 35 CO -0.01 -0.30 1.36 -2.67 -1.52 0.00 0.00 175.55 172.41 1wfu n TRP 36 N 5.26 0.76 -0.38 -3.49 2.14 -0.74 -2.34 117.44 118.63 1wfu n TRP 36 Ca -0.07 -0.63 0.35 0.00 2.07 0.00 0.00 57.50 59.22 1wfu n TRP 36 Cb 0.50 -0.14 0.53 0.00 -0.81 0.00 0.00 31.31 31.39 1wfu n TRP 36 CO 0.00 0.00 0.00 -0.40 2.07 0.00 0.00 177.69 179.36 1wfu n ASP 37 N 0.30 0.00 -0.32 -0.67 5.68 -1.26 -0.56 116.55 119.72 1wfu n ASP 37 Ca 0.17 0.76 0.01 0.00 -0.50 0.00 0.00 54.79 55.23 1wfu n ASP 37 Cb 0.64 -0.32 0.08 0.00 -1.14 0.00 0.00 41.12 40.37 1wfu n ASP 37 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1wfu h LEU 38 N 0.00 -1.08 0.00 -2.12 -0.00 -1.96 0.33 115.31 110.48 1wfu h LEU 38 Ca 0.61 0.28 0.00 0.00 -0.00 0.00 0.00 57.88 58.76 1wfu h LEU 38 Cb 2.92 0.62 0.00 0.00 -0.00 0.00 0.00 40.66 44.20 1wfu h LEU 38 CO -0.01 -0.30 0.00 -0.62 -0.00 0.00 0.00 178.44 177.52 1wfu n GLU 39 N -5.52 0.00 0.00 1.13 -0.58 0.28 -3.93 120.64 112.02 1wfu n GLU 39 Ca 0.11 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.66 1wfu n GLU 39 Cb 0.42 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1wfu n GLU 39 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wfu n GLN 40 N -2.55 0.00 -3.60 3.49 0.00 -0.80 -4.83 117.38 109.08 1wfu n GLN 40 Ca 0.00 0.20 -0.21 0.00 0.00 0.00 0.00 57.00 56.99 1wfu n GLN 40 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 30.24 29.14 1wfu n GLN 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1wfu n LYS 41 N -1.10 -0.94 -3.58 2.61 4.76 0.11 -4.86 118.16 115.16 1wfu n LYS 41 Ca 0.00 0.06 -0.17 0.00 -2.87 0.00 0.00 58.31 55.33 1wfu n LYS 41 Cb 0.00 -2.35 -0.07 0.00 -1.84 0.00 0.00 35.03 30.77 1wfu n LYS 41 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1wfu s GLU 42 N -5.62 0.95 0.03 1.97 2.12 -1.26 -5.06 118.70 111.84 1wfu s GLU 42 Ca 0.08 0.18 -0.27 0.00 0.36 0.00 0.00 54.97 55.32 1wfu s GLU 42 Cb -0.05 0.44 -0.14 0.00 0.26 0.00 0.00 34.13 34.65 1wfu s GLU 42 CO 0.63 -0.28 0.67 0.36 -0.54 0.00 0.00 175.26 176.10 1wfu n LYS 43 N 1.08 0.00 -1.28 4.30 2.85 -1.26 -4.74 118.16 119.10 1wfu n LYS 43 Ca -0.19 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.85 1wfu n LYS 43 Cb 0.57 -0.99 -0.10 0.00 -0.65 0.00 0.00 35.03 33.85 1wfu n LYS 43 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1wfu n ARG 44 N 0.99 2.46 -0.69 -1.58 3.00 -1.26 -4.96 116.66 114.63 1wfu n ARG 44 Ca 0.14 -1.79 -0.31 0.00 -0.00 0.00 0.00 57.85 55.89 1wfu n ARG 44 Cb 0.09 -2.16 0.16 0.00 0.00 0.00 0.00 32.46 30.55 1wfu n ARG 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wfu n GLN 45 N 1.89 -0.46 -0.68 -0.14 -0.00 -1.26 -4.81 117.38 111.92 1wfu n GLN 45 Ca 0.49 -0.07 0.09 0.00 -0.00 0.00 0.00 57.00 57.51 1wfu n GLN 45 Cb 0.68 -2.29 -0.04 0.00 -0.00 0.00 0.00 30.24 28.59 1wfu n GLN 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wfu n GLY 46 N 0.48 -2.43 3.67 2.61 0.00 -1.26 -4.91 105.19 103.35 1wfu n GLY 46 Ca 0.11 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 1wfu n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfu s PRO 47 N -2.82 0.22 0.36 1.61 0.04 -1.26 -4.86 135.00 128.29 1wfu s PRO 47 Ca 0.00 0.46 0.05 0.00 0.04 0.00 0.00 61.00 61.55 1wfu s PRO 47 Cb 0.00 -1.72 0.73 0.00 0.04 0.00 0.00 34.50 33.55 1wfu s PRO 47 CO 0.00 -2.86 1.95 0.37 0.04 0.00 0.00 177.00 176.51 1wfu h GLN 48 N -1.98 0.75 0.00 4.56 -0.00 -1.94 0.61 115.11 117.12 1wfu h GLN 48 Ca -0.55 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.06 1wfu h GLN 48 Cb 1.33 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 28.64 1wfu h GLN 48 CO 0.57 0.50 0.00 0.93 0.00 0.00 0.00 178.83 180.83 1wfu h GLU 49 N 0.78 0.00 -0.64 1.69 5.08 -1.99 0.12 114.58 119.61 1wfu h GLU 49 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1wfu h GLU 49 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1wfu h GLU 49 CO -0.11 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.94 1wfu n GLN 50 N -2.97 3.47 -1.80 2.33 1.13 0.21 -4.91 117.38 114.82 1wfu n GLN 50 Ca -0.03 -2.31 -0.12 0.00 -1.94 0.00 0.00 57.00 52.60 1wfu n GLN 50 Cb 0.07 -1.88 0.06 0.00 0.11 0.00 0.00 30.24 28.60 1wfu n GLN 50 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1wfu n TRP 51 N 0.71 -3.01 -4.85 1.08 8.01 0.42 -4.94 117.44 114.87 1wfu n TRP 51 Ca 0.21 -1.03 -0.31 0.00 -1.31 0.00 0.00 57.50 55.05 1wfu n TRP 51 Cb 0.82 -0.38 -0.14 0.00 -2.01 0.00 0.00 31.31 29.60 1wfu n TRP 51 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1wfu s LEU 52 N 0.00 2.48 -0.03 -0.99 1.43 -1.26 -4.40 118.68 115.91 1wfu s LEU 52 Ca 0.36 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 1wfu s LEU 52 Cb -0.02 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 1wfu s LEU 52 CO 0.24 0.28 0.42 -0.60 0.23 0.00 0.00 176.35 176.92 1wfu s ARG 53 N -1.13 4.03 -0.11 1.70 3.52 -1.23 -4.63 118.95 121.09 1wfu s ARG 53 Ca 0.13 0.41 0.01 0.00 -0.13 0.00 0.00 55.73 56.14 1wfu s ARG 53 Cb -0.10 -3.28 0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1wfu s ARG 53 CO 0.03 0.56 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.90 1wfu s PHE 54 N -0.66 1.79 -0.18 5.12 0.08 0.21 -2.48 117.98 121.86 1wfu s PHE 54 Ca 0.24 -0.88 0.01 0.00 0.12 0.00 0.00 56.93 56.42 1wfu s PHE 54 Cb -0.16 -1.35 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 1wfu s PHE 54 CO 0.12 -0.50 -0.17 -1.12 -0.10 0.00 0.00 175.22 173.45 1wfu s SER 55 N 1.27 3.18 -0.17 1.36 0.01 -0.94 -2.09 113.70 116.31 1wfu s SER 55 Ca -0.02 -0.70 -0.09 0.00 1.31 0.00 0.00 55.95 56.45 1wfu s SER 55 Cb -0.14 -1.41 -0.05 0.00 0.21 0.00 0.00 66.02 64.64 1wfu s SER 55 CO -0.05 -0.04 0.14 -0.63 0.41 0.00 0.00 173.24 173.07 1wfu s ILE 56 N 1.32 5.44 0.34 1.44 -1.09 0.26 -2.17 121.20 126.75 1wfu s ILE 56 Ca 0.03 0.21 0.05 0.00 -2.23 0.00 0.00 60.65 58.72 1wfu s ILE 56 Cb -0.14 -3.45 -0.07 0.00 -1.58 0.00 0.00 42.46 37.23 1wfu s ILE 56 CO -0.12 0.51 0.02 -1.61 -1.23 0.00 0.00 174.94 172.51 1wfu s GLU 57 N -0.16 1.73 0.01 2.79 8.01 -1.04 -1.03 118.70 129.02 1wfu s GLU 57 Ca 0.11 -1.95 -0.01 0.00 0.01 0.00 0.00 54.97 53.13 1wfu s GLU 57 Cb -0.11 -1.19 -0.01 0.00 -4.31 0.00 0.00 34.13 28.51 1wfu s GLU 57 CO 0.00 -0.09 -0.00 -1.83 0.01 0.00 0.00 175.26 173.35 1wfu s GLU 58 N -3.80 0.22 0.18 1.61 -1.05 -0.76 -1.98 118.70 113.12 1wfu s GLU 58 Ca 0.35 -0.37 -0.11 0.00 -0.15 0.00 0.00 54.97 54.68 1wfu s GLU 58 Cb 0.08 0.08 -0.07 0.00 -0.44 0.00 0.00 34.13 33.78 1wfu s GLU 58 CO 0.16 -0.04 0.53 -2.00 0.95 0.00 0.00 175.26 174.86 1wfu s GLU 59 N -0.94 3.87 -0.19 -4.83 2.12 -1.04 -1.81 118.70 115.88 1wfu s GLU 59 Ca -0.10 0.34 -0.05 0.00 0.36 0.00 0.00 54.97 55.52 1wfu s GLU 59 Cb -0.06 -2.80 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 1wfu s GLU 59 CO -0.00 0.41 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.60 1wfu s ASP 60 N -2.04 4.81 0.52 -1.70 1.11 0.17 -4.71 116.67 114.83 1wfu s ASP 60 Ca 0.42 -0.19 0.31 0.00 0.18 0.00 0.00 52.55 53.27 1wfu s ASP 60 Cb -0.13 -1.81 1.29 0.00 1.07 0.00 0.00 42.92 43.34 1wfu s ASP 60 CO 0.20 0.09 1.96 1.55 1.18 0.00 0.00 175.17 180.15 1wfu h PRO 61 N 7.32 0.00 0.00 8.23 0.13 -1.96 0.91 132.00 146.62 1wfu h PRO 61 Ca -0.35 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.37 1wfu h PRO 61 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 1wfu h PRO 61 CO 0.61 0.07 -2.50 0.36 -0.23 0.00 0.00 178.00 176.32 1wfu n LYS 62 N -3.22 0.63 0.04 0.86 2.85 -1.26 -4.43 118.16 113.63 1wfu n LYS 62 Ca 0.00 0.18 0.12 0.00 -1.05 0.00 0.00 58.31 57.57 1wfu n LYS 62 Cb 0.33 -1.51 0.31 0.00 -0.65 0.00 0.00 35.03 33.50 1wfu n LYS 62 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1wfu n MET 63 N -3.55 0.16 -2.63 -1.58 2.81 -1.23 -4.92 117.12 106.18 1wfu n MET 63 Ca -0.48 0.07 -0.12 0.00 -1.81 0.00 0.00 57.70 55.36 1wfu n MET 63 Cb 0.96 -1.62 -0.01 0.00 -0.71 0.00 0.00 33.22 31.84 1wfu n MET 63 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1wfu n HIS 64 N -1.87 -1.60 -4.35 2.03 8.25 0.31 -4.91 115.22 113.08 1wfu n HIS 64 Ca 0.05 0.08 -0.18 0.00 -0.26 0.00 0.00 57.72 57.42 1wfu n HIS 64 Cb 0.39 -2.38 -0.10 0.00 1.12 0.00 0.00 29.99 29.02 1wfu n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wfu s SER 65 N -2.15 1.75 0.14 0.41 0.15 -1.23 -4.85 113.70 107.92 1wfu s SER 65 Ca 0.07 -1.29 0.05 0.00 0.70 0.00 0.00 55.95 55.48 1wfu s SER 65 Cb -0.04 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 1wfu s SER 65 CO 0.09 -0.59 0.11 -0.31 1.20 0.00 0.00 173.24 173.74 1wfu s TYR 66 N -3.49 3.15 -0.10 3.44 1.51 -1.26 -0.66 117.35 119.94 1wfu s TYR 66 Ca 0.32 0.01 -0.09 0.00 -1.01 0.00 0.00 57.07 56.30 1wfu s TYR 66 Cb 0.07 -1.54 0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1wfu s TYR 66 CO 0.11 0.52 0.26 0.20 -1.11 0.00 0.00 175.55 175.54 1wfu s GLY 67 N -2.87 -0.20 -0.56 0.71 0.00 -0.75 -4.94 107.32 98.72 1wfu s GLY 67 Ca 0.30 0.76 -0.27 0.00 0.00 0.00 0.00 44.72 45.51 1wfu s GLY 67 CO 0.23 0.66 1.92 0.14 0.00 0.00 0.00 173.10 176.06 1wfu s VAL 68 N 0.18 3.33 0.05 1.40 1.01 -1.26 -1.83 120.40 123.27 1wfu s VAL 68 Ca -0.00 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 1wfu s VAL 68 Cb -0.02 -3.78 -0.29 0.00 0.00 0.00 0.00 36.38 32.29 1wfu s VAL 68 CO 0.00 -0.73 1.05 0.16 0.00 0.00 0.00 175.10 175.58 1wfu h ILE 69 N 6.98 1.38 -3.69 2.22 3.07 -1.41 -3.47 117.51 122.59 1wfu h ILE 69 Ca -0.27 -2.95 -0.19 0.00 1.55 0.00 0.00 64.86 63.00 1wfu h ILE 69 Cb 1.18 2.91 -0.24 0.00 -0.27 0.00 0.00 36.82 40.39 1wfu h ILE 69 CO 1.19 0.86 -0.64 -0.47 -1.05 0.00 0.00 178.15 178.04 1wfu s TYR 70 N -2.64 0.05 -0.15 0.16 5.04 -0.79 -5.02 117.35 114.00 1wfu s TYR 70 Ca -0.06 -0.09 -0.09 0.00 -2.44 0.00 0.00 57.07 54.39 1wfu s TYR 70 Cb 0.07 -0.05 0.05 0.00 0.35 0.00 0.00 41.96 42.38 1wfu s TYR 70 CO 0.88 -0.12 0.38 -0.08 -1.34 0.00 0.00 175.55 175.27 1wfu s THR 71 N -0.63 -0.02 -2.80 4.34 -1.32 -1.26 -0.57 115.64 113.37 1wfu s THR 71 Ca -0.07 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1wfu s THR 71 Cb -0.04 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.39 1wfu s THR 71 CO -0.00 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 1wfu n GLY 72 N 4.08 -0.62 0.51 6.08 0.00 -0.89 -4.98 105.19 109.37 1wfu n GLY 72 Ca -0.22 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.32 1wfu n GLY 72 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wfu n TYR 73 N 5.04 0.00 -2.36 1.61 4.02 -1.26 -0.62 117.16 123.58 1wfu n TYR 73 Ca 0.00 -1.01 -0.26 0.00 -0.01 0.00 0.00 57.90 56.62 1wfu n TYR 73 Cb 0.00 -0.18 0.16 0.00 -0.02 0.00 0.00 39.34 39.30 1wfu n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wfu n ALA 74 N -0.90 -0.48 -0.01 -0.72 0.00 -1.26 -4.93 120.51 112.21 1wfu n ALA 74 Ca 0.14 -1.92 -0.02 0.00 0.00 0.00 0.00 53.44 51.64 1wfu n ALA 74 Cb 0.73 0.17 -0.01 0.00 0.00 0.00 0.00 19.45 20.34 1wfu n ALA 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wfu n THR 75 N -3.28 0.16 -3.18 0.00 -2.24 -1.26 -4.79 114.28 99.70 1wfu n THR 75 Ca 0.17 -0.06 -0.25 0.00 -2.27 0.00 0.00 64.05 61.64 1wfu n THR 75 Cb 0.60 -0.62 -0.01 0.00 -2.10 0.00 0.00 70.33 68.20 1wfu n THR 75 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1wfu s ARG 76 N -2.06 3.50 -0.30 -0.78 3.52 -1.26 -1.80 118.95 119.78 1wfu s ARG 76 Ca -0.04 -0.18 -0.06 0.00 -0.13 0.00 0.00 55.73 55.32 1wfu s ARG 76 Cb 0.01 -2.59 0.18 0.00 -1.56 0.00 0.00 34.95 30.99 1wfu s ARG 76 CO 0.07 0.06 0.77 -1.58 -0.81 0.00 0.00 175.30 173.80 1wfu s HIS 77 N -2.42 -1.19 -0.62 5.12 5.65 0.22 -4.95 115.29 117.09 1wfu s HIS 77 Ca 0.42 1.38 -0.16 0.00 0.25 0.00 0.00 55.06 56.96 1wfu s HIS 77 Cb -0.10 0.46 0.15 0.00 -1.18 0.00 0.00 32.58 31.92 1wfu s HIS 77 CO 0.38 -0.64 0.57 0.08 -0.65 0.00 0.00 174.74 174.48 1wfu s VAL 78 N 2.86 5.31 -0.46 0.89 1.01 -1.26 -1.53 120.40 127.21 1wfu s VAL 78 Ca 0.10 -1.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.05 1wfu s VAL 78 Cb -0.13 -4.38 -0.09 0.00 0.00 0.00 0.00 36.38 31.78 1wfu s VAL 78 CO -0.18 -0.92 2.36 0.52 0.00 0.00 0.00 175.10 176.89 1wfu n VAL 79 N 4.93 0.08 -2.46 2.92 0.31 -0.07 -4.75 118.33 119.29 1wfu n VAL 79 Ca -0.07 -0.51 -0.27 0.00 -0.01 0.00 0.00 64.34 63.49 1wfu n VAL 79 Cb 0.42 -2.21 0.02 0.00 -0.91 0.00 0.00 33.84 31.16 1wfu n VAL 79 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1wfu s GLU 80 N 7.51 3.05 -0.54 5.55 2.02 -1.26 -2.16 118.70 132.88 1wfu s GLU 80 Ca 1.06 0.02 -0.02 0.00 0.02 0.00 0.00 54.97 56.05 1wfu s GLU 80 Cb -0.50 -2.30 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 1wfu s GLU 80 CO 0.36 -0.59 0.48 0.41 0.02 0.00 0.00 175.26 175.95 1wfu n GLY 81 N -2.50 -0.53 3.53 -1.39 0.00 -1.22 -4.99 105.19 98.09 1wfu n GLY 81 Ca 0.04 0.21 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 1wfu n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfu s LEU 82 N -3.88 2.38 0.14 0.99 1.43 -0.78 -5.02 118.68 113.95 1wfu s LEU 82 Ca 0.16 -1.42 0.08 0.00 -1.03 0.00 0.00 54.13 51.91 1wfu s LEU 82 Cb -0.02 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 1wfu s LEU 82 CO 0.43 -0.61 -0.08 -1.61 0.23 0.00 0.00 176.35 174.72 1wfu s GLU 83 N -3.82 2.16 0.22 1.70 2.02 -1.26 -4.60 118.70 115.13 1wfu s GLU 83 Ca 0.33 -1.12 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 1wfu s GLU 83 Cb 0.08 -2.27 -0.09 0.00 0.10 0.00 0.00 34.13 31.95 1wfu s GLU 83 CO 0.15 0.47 1.29 -1.25 0.02 0.00 0.00 175.26 175.94 1wfu s PRO 84 N -2.58 4.41 -1.26 0.39 0.04 -1.10 -3.18 135.00 131.72 1wfu s PRO 84 Ca 0.24 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.25 1wfu s PRO 84 Cb -0.10 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.27 1wfu s PRO 84 CO 0.15 -0.20 1.10 0.54 0.04 0.00 0.00 177.00 178.64 1wfu n ARG 85 N 2.24 -7.40 -4.84 4.56 5.12 -0.75 -4.93 116.66 110.67 1wfu n ARG 85 Ca 0.05 0.78 -0.26 0.00 -1.93 0.00 0.00 57.85 56.49 1wfu n ARG 85 Cb 0.43 -5.69 -0.15 0.00 -1.16 0.00 0.00 32.46 25.89 1wfu n ARG 85 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1wfu s THR 86 N -3.31 1.60 0.13 0.55 2.01 -1.19 -4.92 115.64 110.52 1wfu s THR 86 Ca 0.50 -0.99 -0.10 0.00 0.31 0.00 0.00 61.69 61.41 1wfu s THR 86 Cb -0.22 -1.36 -0.06 0.00 0.01 0.00 0.00 72.50 70.87 1wfu s THR 86 CO 0.69 0.35 0.45 -0.22 -0.69 0.00 0.00 174.62 175.19 1wfu s LEU 87 N -0.75 4.29 -0.03 4.42 2.96 -1.26 -1.56 118.68 126.74 1wfu s LEU 87 Ca 0.07 0.83 -0.02 0.00 -0.22 0.00 0.00 54.13 54.79 1wfu s LEU 87 Cb -0.08 -3.24 0.02 0.00 0.50 0.00 0.00 46.19 43.38 1wfu s LEU 87 CO 0.00 0.09 0.08 -0.31 -1.32 0.00 0.00 176.35 174.89 1wfu s TYR 88 N -1.55 -0.08 -0.11 5.38 1.51 0.76 -4.93 117.35 118.32 1wfu s TYR 88 Ca 0.38 0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 56.67 1wfu s TYR 88 Cb -0.13 -0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.65 1wfu s TYR 88 CO 0.20 -0.07 -0.02 0.15 -1.11 0.00 0.00 175.55 174.70 1wfu s LYS 89 N 0.43 3.21 0.01 -0.62 1.02 -1.26 -0.87 119.74 121.66 1wfu s LYS 89 Ca -0.03 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.50 1wfu s LYS 89 Cb -0.05 -2.83 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 1wfu s LYS 89 CO -0.02 0.54 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.88 1wfu s PHE 90 N -0.44 0.08 -0.12 3.18 0.08 -0.85 -2.50 117.98 117.42 1wfu s PHE 90 Ca 0.08 -0.15 0.03 0.00 0.12 0.00 0.00 56.93 57.01 1wfu s PHE 90 Cb -0.12 -0.05 0.00 0.00 -0.57 0.00 0.00 43.02 42.28 1wfu s PHE 90 CO 0.02 -0.05 -0.22 -0.98 -0.10 0.00 0.00 175.22 173.89 1wfu s ARG 91 N -0.40 3.09 -0.08 0.44 1.70 -0.84 -0.92 118.95 121.93 1wfu s ARG 91 Ca -0.04 -0.85 -0.19 0.00 -0.47 0.00 0.00 55.73 54.18 1wfu s ARG 91 Cb -0.03 -2.39 -0.04 0.00 -0.57 0.00 0.00 34.95 31.92 1wfu s ARG 91 CO -0.00 0.13 0.53 -1.17 -1.08 0.00 0.00 175.30 173.70 1wfu s LEU 92 N 0.48 4.32 0.16 -1.89 2.96 -1.26 -2.48 118.68 120.97 1wfu s LEU 92 Ca -0.15 0.95 0.08 0.00 -0.22 0.00 0.00 54.13 54.79 1wfu s LEU 92 Cb -0.17 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 1wfu s LEU 92 CO 0.06 0.02 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.18 1wfu s LYS 93 N 0.40 1.24 0.02 1.98 2.36 -0.92 0.82 119.74 125.64 1wfu s LYS 93 Ca 0.29 -1.38 -0.08 0.00 -2.55 0.00 0.00 55.97 52.25 1wfu s LYS 93 Cb -0.16 -1.30 0.00 0.00 -1.05 0.00 0.00 37.83 35.32 1wfu s LYS 93 CO 0.13 0.26 0.16 0.14 1.55 0.00 0.00 175.35 177.59 1wfu s VAL 94 N -2.00 0.10 -0.12 4.02 -7.23 -0.93 -2.22 120.40 112.02 1wfu s VAL 94 Ca 0.15 -0.85 -0.03 0.00 -1.81 0.00 0.00 61.98 59.43 1wfu s VAL 94 Cb -0.06 -0.73 0.05 0.00 0.56 0.00 0.00 36.38 36.20 1wfu s VAL 94 CO 0.06 -0.47 0.07 -0.89 -0.31 0.00 0.00 175.10 173.56 1wfu s THR 95 N -2.12 0.00 0.83 5.32 2.01 -1.04 -1.90 115.64 118.74 1wfu s THR 95 Ca -0.09 0.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.80 1wfu s THR 95 Cb -0.03 -0.47 0.06 0.00 0.01 0.00 0.00 72.50 72.06 1wfu s THR 95 CO -0.02 -0.08 0.91 -1.54 -0.69 0.00 0.00 174.62 173.21 1wfu n SER 96 N 5.25 -0.08 0.00 3.53 3.41 0.32 -3.54 113.62 122.51 1wfu n SER 96 Ca -0.06 0.52 0.04 0.00 -0.26 0.00 0.00 58.87 59.12 1wfu n SER 96 Cb 0.49 -1.39 0.26 0.00 -0.26 0.00 0.00 64.21 63.31 1wfu n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1wfu n PRO 97 N -2.58 0.49 -0.05 4.33 -0.04 -1.26 -2.39 135.00 133.49 1wfu n PRO 97 Ca 0.11 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1wfu n PRO 97 Cb 0.51 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.62 1wfu n PRO 97 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfu n SER 98 N -0.78 2.62 0.00 3.54 7.64 -1.26 -5.03 113.62 120.35 1wfu n SER 98 Ca 0.07 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1wfu n SER 98 Cb 0.03 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1wfu n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfu n GLY 99 N 2.48 2.03 3.60 0.23 0.00 -1.01 -5.14 105.19 107.40 1wfu n GLY 99 Ca -0.18 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 1wfu n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfu n GLU 100 N 0.00 0.81 -3.55 1.61 -0.58 -1.26 -4.64 120.64 113.02 1wfu n GLU 100 Ca 0.00 0.32 -0.17 0.00 -0.42 0.00 0.00 57.16 56.88 1wfu n GLU 100 Cb 0.00 -2.14 -0.06 0.00 -0.57 0.00 0.00 31.44 28.67 1wfu n GLU 100 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1wfu s TYR 101 N -1.56 -0.60 0.09 -0.32 1.13 -1.26 0.12 117.35 114.95 1wfu s TYR 101 Ca 0.76 1.03 -0.04 0.00 -1.41 0.00 0.00 57.07 57.41 1wfu s TYR 101 Cb -0.41 0.37 -0.03 0.00 -1.10 0.00 0.00 41.96 40.79 1wfu s TYR 101 CO 0.47 -0.58 0.08 -1.21 -2.51 0.00 0.00 175.55 171.80 1wfu s GLU 102 N -1.18 0.80 0.04 -3.49 0.41 -0.80 -4.86 118.70 109.62 1wfu s GLU 102 Ca -0.11 -1.21 0.06 0.00 -0.41 0.00 0.00 54.97 53.30 1wfu s GLU 102 Cb -0.01 0.27 -0.03 0.00 -1.78 0.00 0.00 34.13 32.58 1wfu s GLU 102 CO 0.09 -0.22 -0.16 0.71 -0.49 0.00 0.00 175.26 175.20 1wfu s TYR 103 N -3.94 2.63 0.33 1.61 1.51 -1.26 -2.19 117.35 116.03 1wfu s TYR 103 Ca 0.12 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 55.98 1wfu s TYR 103 Cb 0.07 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1wfu s TYR 103 CO -0.06 0.29 0.51 -1.54 -1.11 0.00 0.00 175.55 173.64 1wfu s SER 104 N -1.49 6.29 -0.08 2.29 1.04 0.24 -4.31 113.70 117.69 1wfu s SER 104 Ca 0.15 0.37 -0.30 0.00 0.48 0.00 0.00 55.95 56.66 1wfu s SER 104 Cb -0.11 -1.99 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 1wfu s SER 104 CO 0.06 -0.26 1.51 -2.16 0.98 0.00 0.00 173.24 173.38 1wfu s PRO 105 N -4.26 4.21 0.23 4.02 0.04 -1.26 -4.35 135.00 133.63 1wfu s PRO 105 Ca 0.39 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 63.16 1wfu s PRO 105 Cb -0.09 -3.87 -0.16 0.00 0.04 0.00 0.00 34.50 30.41 1wfu s PRO 105 CO 0.35 -0.78 0.65 0.28 0.04 0.00 0.00 177.00 177.54 1wfu n VAL 106 N 5.36 1.97 -4.01 -0.36 0.31 -1.26 -4.70 118.33 115.64 1wfu n VAL 106 Ca 0.16 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.69 1wfu n VAL 106 Cb 0.43 -0.28 -0.16 0.00 -0.91 0.00 0.00 33.84 32.92 1wfu n VAL 106 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1wfu s VAL 107 N -1.04 1.59 -0.17 2.52 -7.23 -0.10 -4.92 120.40 111.06 1wfu s VAL 107 Ca 0.62 -0.75 -0.14 0.00 -1.81 0.00 0.00 61.98 59.90 1wfu s VAL 107 Cb -0.86 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 1wfu s VAL 107 CO 0.57 0.37 0.31 -0.94 -0.31 0.00 0.00 175.10 175.10 1wfu s SER 108 N 1.46 6.43 -0.00 4.85 1.04 -1.26 -2.00 113.70 124.22 1wfu s SER 108 Ca 0.03 0.50 0.01 0.00 0.48 0.00 0.00 55.95 56.97 1wfu s SER 108 Cb -0.14 -2.19 -0.00 0.00 0.10 0.00 0.00 66.02 63.79 1wfu s SER 108 CO -0.10 0.07 -0.03 0.68 0.98 0.00 0.00 173.24 174.84 1wfu s VAL 109 N 0.63 0.20 -0.19 5.02 -7.23 -0.05 -4.92 120.40 113.86 1wfu s VAL 109 Ca 0.17 -0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 60.18 1wfu s VAL 109 Cb -0.13 -0.17 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 1wfu s VAL 109 CO 0.05 0.05 -0.02 0.00 -0.31 0.00 0.00 175.10 174.87 1wfu s ALA 110 N -0.07 2.99 1.20 1.32 0.00 -1.26 -0.17 121.76 125.77 1wfu s ALA 110 Ca 0.01 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.90 1wfu s ALA 110 Cb -0.01 -1.69 0.17 0.00 0.00 0.00 0.00 23.12 21.59 1wfu s ALA 110 CO -0.00 -0.07 0.45 0.25 0.00 0.00 0.00 175.76 176.38 1wfu n THR 111 N 4.10 0.00 -2.97 0.00 -2.24 -0.60 -4.89 114.28 107.68 1wfu n THR 111 Ca -0.17 -0.07 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 1wfu n THR 111 Cb 0.52 -0.66 0.06 0.00 -2.10 0.00 0.00 70.33 68.15 1wfu n THR 111 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wfu s THR 112 N -1.65 2.26 0.20 4.28 -4.23 -1.25 -4.14 115.64 111.11 1wfu s THR 112 Ca 0.33 -0.94 -0.22 0.00 -1.18 0.00 0.00 61.69 59.68 1wfu s THR 112 Cb -0.05 -2.32 -0.08 0.00 1.34 0.00 0.00 72.50 71.39 1wfu s THR 112 CO 0.27 0.00 0.74 0.00 -0.54 0.00 0.00 174.62 175.09 1wfu s ARG 113 N -4.69 4.36 -0.52 3.99 1.04 -1.26 -1.81 118.95 120.06 1wfu s ARG 113 Ca 0.61 0.97 -0.40 0.00 -1.04 0.00 0.00 55.73 55.88 1wfu s ARG 113 Cb -0.06 -3.01 -0.17 0.00 -2.04 0.00 0.00 34.95 29.66 1wfu s ARG 113 CO 0.39 0.46 2.23 0.39 -0.04 0.00 0.00 175.30 178.73 1wfu n GLU 114 N 1.04 0.31 -2.31 3.89 1.02 -1.26 -4.78 120.64 118.55 1wfu n GLU 114 Ca -0.04 0.08 -0.43 0.00 -0.02 0.00 0.00 57.16 56.75 1wfu n GLU 114 Cb 0.50 -1.80 -0.02 0.00 -0.02 0.00 0.00 31.44 30.10 1wfu n GLU 114 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wfu s SER 115 N 6.88 6.66 0.00 1.62 0.15 -1.26 -4.98 113.70 122.77 1wfu s SER 115 Ca 1.19 1.50 0.00 0.00 0.70 0.00 0.00 55.95 59.33 1wfu s SER 115 Cb -1.27 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 60.51 1wfu s SER 115 CO 0.58 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1wfu n GLY 116 N 4.22 6.75 3.58 9.45 0.00 -1.26 -5.16 105.19 122.77 1wfu n GLY 116 Ca 0.16 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 1wfu n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfu s PRO 117 N 1.16 -1.52 -0.06 1.61 0.04 -1.26 -5.07 135.00 129.90 1wfu s PRO 117 Ca 0.00 -0.17 0.04 0.00 0.04 0.00 0.00 61.00 60.91 1wfu s PRO 117 Cb 0.00 -1.57 -0.00 0.00 0.04 0.00 0.00 34.50 32.97 1wfu s PRO 117 CO 0.00 -3.89 -0.19 -1.54 0.04 0.00 0.00 177.00 171.42 1wfu s SER 118 N -3.97 2.43 0.14 6.66 1.04 -1.26 -5.04 113.70 113.69 1wfu s SER 118 Ca 0.72 -0.41 -0.28 0.00 0.48 0.00 0.00 55.95 56.46 1wfu s SER 118 Cb -0.08 -0.80 -0.06 0.00 0.10 0.00 0.00 66.02 65.18 1wfu s SER 118 CO 0.56 0.16 1.43 -0.24 0.98 0.00 0.00 173.24 176.12 1wfu n SER 119 N 3.25 -0.95 -0.82 7.02 2.88 -1.26 -5.37 113.62 118.37 1wfu n SER 119 Ca -0.19 1.64 0.13 0.00 -1.33 0.00 0.00 58.87 59.12 1wfu n SER 119 Cb 0.53 -0.23 0.23 0.00 -0.75 0.00 0.00 64.21 63.98 1wfu n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42