#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h47 s GLU 0 N 0.00 3.76 0.11 1.47 2.12 -1.26 -5.02 118.70 119.88 1h47 s GLU 0 Ca 0.00 0.35 0.06 0.00 0.36 0.00 0.00 54.97 55.73 1h47 s GLU 0 Cb 0.00 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 1h47 s GLU 0 CO 0.00 -0.88 -0.02 -1.64 -0.54 0.00 0.00 175.26 172.18 1h47 s MET 1 N 3.18 2.44 0.00 4.30 -1.94 -1.26 -0.94 119.30 125.08 1h47 s MET 1 Ca 0.33 -0.92 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 1h47 s MET 1 Cb -0.13 -2.46 -0.01 0.00 2.01 0.00 0.00 34.83 34.24 1h47 s MET 1 CO 0.17 0.52 -0.08 1.03 -0.01 0.00 0.00 175.02 176.65 1h47 s ARG 2 N -2.42 0.62 -0.03 2.03 0.52 -0.15 -4.97 118.95 114.54 1h47 s ARG 2 Ca 0.25 -0.34 -0.03 0.00 -0.52 0.00 0.00 55.73 55.10 1h47 s ARG 2 Cb -0.11 -0.59 -0.04 0.00 0.52 0.00 0.00 34.95 34.73 1h47 s ARG 2 CO 0.18 0.16 0.14 -1.50 0.02 0.00 0.00 175.30 174.29 1h47 s ILE 3 N -0.31 5.22 0.05 1.52 -1.16 -1.26 -1.24 121.20 124.02 1h47 s ILE 3 Ca 0.02 -0.16 -0.05 0.00 -0.51 0.00 0.00 60.65 59.95 1h47 s ILE 3 Cb -0.04 -3.39 -0.02 0.00 0.61 0.00 0.00 42.46 39.63 1h47 s ILE 3 CO -0.00 0.40 0.08 -0.83 -2.81 0.00 0.00 174.94 171.78 1h47 s GLY 4 N -1.67 0.23 0.04 1.50 0.00 -0.73 -3.84 107.32 102.84 1h47 s GLY 4 Ca 0.23 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.26 1h47 s GLY 4 CO 0.14 -0.87 -0.10 -1.58 0.00 0.00 0.00 173.10 170.69 1h47 s HIS 5 N -3.19 0.88 0.02 1.90 2.46 -1.25 -1.44 115.29 114.66 1h47 s HIS 5 Ca -0.00 -0.37 0.01 0.00 0.47 0.00 0.00 55.06 55.17 1h47 s HIS 5 Cb 0.02 -0.52 -0.01 0.00 -0.13 0.00 0.00 32.58 31.94 1h47 s HIS 5 CO -0.07 -0.02 -0.05 0.20 -2.47 0.00 0.00 174.74 172.33 1h47 s GLY 6 N -1.19 0.29 -0.08 1.59 0.00 -0.28 -3.51 107.32 104.14 1h47 s GLY 6 Ca -0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 44.72 44.22 1h47 s GLY 6 CO 0.01 -0.44 0.19 -0.12 0.00 0.00 0.00 173.10 172.74 1h47 s PHE 7 N -0.73 -0.23 -0.00 1.90 5.36 -1.26 -1.41 117.98 121.60 1h47 s PHE 7 Ca -0.05 0.59 -0.08 0.00 -0.96 0.00 0.00 56.93 56.43 1h47 s PHE 7 Cb -0.06 -0.01 0.00 0.00 -0.34 0.00 0.00 43.02 42.62 1h47 s PHE 7 CO -0.00 -0.17 0.15 0.34 -1.46 0.00 0.00 175.22 174.08 1h47 s ASP 8 N 0.98 -0.01 -0.01 6.13 2.15 -0.62 -4.81 116.67 120.47 1h47 s ASP 8 Ca -0.07 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 52.78 1h47 s ASP 8 Cb -0.09 0.23 0.01 0.00 -0.30 0.00 0.00 42.92 42.77 1h47 s ASP 8 CO -0.06 -0.34 -0.00 -0.69 -0.17 0.00 0.00 175.17 173.91 1h47 s VAL 9 N -1.24 0.09 0.06 1.11 1.01 -1.26 -0.93 120.40 119.24 1h47 s VAL 9 Ca -0.13 0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1h47 s VAL 9 Cb -0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 1h47 s VAL 9 CO 0.02 0.06 -0.14 -1.00 0.00 0.00 0.00 175.10 174.04 1h47 s HIS 10 N 0.36 1.22 0.26 5.22 3.76 -0.88 -5.03 115.29 120.21 1h47 s HIS 10 Ca -0.03 -0.41 -0.22 0.00 -0.15 0.00 0.00 55.06 54.25 1h47 s HIS 10 Cb -0.05 -0.71 -0.09 0.00 1.11 0.00 0.00 32.58 32.84 1h47 s HIS 10 CO -0.01 0.05 0.80 0.00 -0.85 0.00 0.00 174.74 174.73 1h47 s ALA 11 N -1.07 3.34 0.45 -1.40 0.00 -1.26 -1.42 121.76 120.40 1h47 s ALA 11 Ca -0.00 0.29 -0.23 0.00 0.00 0.00 0.00 51.96 52.01 1h47 s ALA 11 Cb -0.09 -2.95 -0.07 0.00 0.00 0.00 0.00 23.12 20.01 1h47 s ALA 11 CO 0.02 0.27 1.19 -0.06 0.00 0.00 0.00 175.76 177.18 1h47 s PHE 12 N -1.57 2.86 -0.11 0.00 0.08 -0.24 -1.33 117.98 117.66 1h47 s PHE 12 Ca 0.46 1.52 -0.30 0.00 0.12 0.00 0.00 56.93 58.73 1h47 s PHE 12 Cb -0.17 -3.44 0.12 0.00 -0.57 0.00 0.00 43.02 38.96 1h47 s PHE 12 CO 0.22 -1.63 0.97 0.20 -0.10 0.00 0.00 175.22 174.88 1h47 s GLY 13 N -1.24 -0.34 0.00 4.36 0.00 -0.56 -4.64 107.32 104.90 1h47 s GLY 13 Ca 0.62 1.67 0.00 0.00 0.00 0.00 0.00 44.72 47.01 1h47 s GLY 13 CO 0.38 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.86 1h47 n GLY 14 N 0.37 1.03 3.77 0.20 0.00 -1.26 -2.24 105.19 107.05 1h47 n GLY 14 Ca -0.09 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 1h47 n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1h47 s GLU 15 N 0.00 2.83 0.74 1.61 1.03 -1.26 -2.57 118.70 121.08 1h47 s GLU 15 Ca 0.00 -0.81 -0.12 0.00 0.03 0.00 0.00 54.97 54.07 1h47 s GLU 15 Cb 0.00 -2.65 0.19 0.00 -0.80 0.00 0.00 34.13 30.87 1h47 s GLU 15 CO 0.00 0.52 0.53 0.41 -1.33 0.00 0.00 175.26 175.39 1h47 n GLY 16 N 0.07 -3.31 3.73 -3.83 0.00 -1.18 -2.58 105.19 98.09 1h47 n GLY 16 Ca -0.09 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1h47 n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h47 s PRO 17 N -4.23 1.29 0.29 1.61 0.04 -1.26 -4.76 135.00 127.99 1h47 s PRO 17 Ca 0.37 0.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.08 1h47 s PRO 17 Cb -0.05 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1h47 s PRO 17 CO 0.30 -2.18 0.53 0.96 0.04 0.00 0.00 177.00 176.64 1h47 s ILE 18 N -3.01 5.08 -0.21 0.56 -4.36 -0.65 -4.65 121.20 113.97 1h47 s ILE 18 Ca 0.63 -0.18 0.01 0.00 -0.26 0.00 0.00 60.65 60.85 1h47 s ILE 18 Cb -0.17 -3.78 0.03 0.00 1.25 0.00 0.00 42.46 39.79 1h47 s ILE 18 CO 0.56 -0.38 -0.15 -0.63 0.24 0.00 0.00 174.94 174.58 1h47 s ILE 19 N -2.13 2.25 -0.08 8.37 1.01 -1.26 -0.40 121.20 128.97 1h47 s ILE 19 Ca 0.42 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1h47 s ILE 19 Cb -0.10 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.32 1h47 s ILE 19 CO 0.32 0.36 -0.06 -0.63 0.00 0.00 0.00 174.94 174.93 1h47 s ILE 20 N 1.26 0.78 -1.60 2.92 -1.09 -0.22 -3.89 121.20 119.35 1h47 s ILE 20 Ca 0.01 -0.19 -0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1h47 s ILE 20 Cb -0.15 -0.81 0.00 0.00 -1.58 0.00 0.00 42.46 39.92 1h47 s ILE 20 CO -0.10 0.31 0.14 0.61 -1.23 0.00 0.00 174.94 174.67 1h47 n GLY 21 N 4.57 -0.50 2.16 6.18 0.00 -1.26 -1.33 105.19 115.00 1h47 n GLY 21 Ca -0.16 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1h47 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h47 n GLY 22 N -1.09 0.47 3.47 -0.02 0.00 -1.26 -4.33 105.19 102.43 1h47 n GLY 22 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1h47 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h47 s VAL 23 N -1.99 3.51 -0.32 1.61 1.01 -0.44 -5.02 120.40 118.76 1h47 s VAL 23 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1h47 s VAL 23 Cb 0.00 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1h47 s VAL 23 CO 0.00 0.53 1.08 -0.13 0.00 0.00 0.00 175.10 176.59 1h47 s ARG 24 N 0.02 4.07 -0.17 2.72 0.52 -1.26 -1.06 118.95 123.79 1h47 s ARG 24 Ca -0.02 1.08 -0.02 0.00 -0.52 0.00 0.00 55.73 56.26 1h47 s ARG 24 Cb -0.14 -3.74 -0.01 0.00 0.52 0.00 0.00 34.95 31.58 1h47 s ARG 24 CO 0.03 -0.90 -0.09 0.42 0.02 0.00 0.00 175.30 174.78 1h47 s ILE 25 N 3.67 3.23 0.22 1.52 1.01 0.46 -4.97 121.20 126.35 1h47 s ILE 25 Ca 0.46 -0.57 -0.31 0.00 0.00 0.00 0.00 60.65 60.23 1h47 s ILE 25 Cb -0.12 -2.41 -0.10 0.00 0.01 0.00 0.00 42.46 39.84 1h47 s ILE 25 CO 0.15 0.48 1.51 -2.84 0.00 0.00 0.00 174.94 174.25 1h47 s PRO 26 N 0.81 4.23 0.14 2.79 0.02 -1.26 -1.63 135.00 140.08 1h47 s PRO 26 Ca -0.03 2.36 -0.13 0.00 0.02 0.00 0.00 61.00 63.21 1h47 s PRO 26 Cb -0.15 -3.12 0.02 0.00 0.02 0.00 0.00 34.50 31.27 1h47 s PRO 26 CO 0.01 -0.52 0.35 -0.47 -0.33 0.00 0.00 177.00 176.04 1h47 s TYR 27 N 0.44 -0.00 0.13 6.54 5.04 -1.26 -4.87 117.35 123.37 1h47 s TYR 27 Ca 0.64 -0.36 0.21 0.00 -2.44 0.00 0.00 57.07 55.13 1h47 s TYR 27 Cb -0.43 0.15 0.78 0.00 0.35 0.00 0.00 41.96 42.81 1h47 s TYR 27 CO 0.39 -0.70 1.77 0.93 -1.34 0.00 0.00 175.55 176.60 1h47 h GLU 28 N 2.46 0.00 -6.62 4.97 3.07 -1.95 -3.13 114.58 113.37 1h47 h GLU 28 Ca -0.33 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 57.88 1h47 h GLU 28 Cb 1.24 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.96 1h47 h GLU 28 CO 0.48 0.30 -0.83 0.15 -1.40 0.00 0.00 179.01 177.71 1h47 s LYS 29 N -3.60 1.49 0.00 2.33 1.02 -1.26 -3.94 119.74 115.78 1h47 s LYS 29 Ca 0.01 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.50 1h47 s LYS 29 Cb 0.10 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 1h47 s LYS 29 CO 0.66 0.40 0.00 0.41 -0.92 0.00 0.00 175.35 175.90 1h47 n GLY 30 N 0.35 1.39 3.15 -3.33 0.00 -0.95 -3.25 105.19 102.55 1h47 n GLY 30 Ca -0.13 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 1h47 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h47 s LEU 31 N 0.00 2.02 -0.13 0.99 1.43 -1.23 -1.49 118.68 120.26 1h47 s LEU 31 Ca 0.00 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 1h47 s LEU 31 Cb 0.00 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1h47 s LEU 31 CO 0.00 0.07 1.64 -0.76 0.23 0.00 0.00 176.35 177.54 1h47 s LEU 32 N 0.79 4.11 -0.04 1.79 1.43 -0.45 -4.72 118.68 121.59 1h47 s LEU 32 Ca -0.08 1.95 -0.29 0.00 -1.03 0.00 0.00 54.13 54.68 1h47 s LEU 32 Cb -0.16 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.63 1h47 s LEU 32 CO -0.01 -1.09 0.81 0.00 0.23 0.00 0.00 176.35 176.30 1h47 s ALA 33 N 4.64 -1.81 0.25 4.21 0.00 -1.26 -4.34 121.76 123.44 1h47 s ALA 33 Ca 0.73 1.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.90 1h47 s ALA 33 Cb -0.29 -0.00 0.29 0.00 0.00 0.00 0.00 23.12 23.12 1h47 s ALA 33 CO 0.29 -0.48 1.66 0.45 0.00 0.00 0.00 175.76 177.68 1h47 h HIS 34 N 2.49 0.68 -2.45 0.00 -0.00 -2.02 -3.44 115.15 110.41 1h47 h HIS 34 Ca -0.24 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 1h47 h HIS 34 Cb 1.19 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 1h47 h HIS 34 CO 0.30 0.81 0.00 -1.13 -0.00 0.00 0.00 177.93 177.91 1h47 n SER 35 N -4.10 0.00 0.00 2.45 3.41 -1.26 -4.82 113.62 109.30 1h47 n SER 35 Ca -0.00 -0.97 0.07 0.00 -0.26 0.00 0.00 58.87 57.70 1h47 n SER 35 Cb 0.44 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.74 1h47 n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1h47 n ASP 36 N -2.90 0.00 -0.09 4.04 5.68 -1.26 -4.89 116.55 117.12 1h47 n ASP 36 Ca 0.00 -0.06 -0.01 0.00 -0.50 0.00 0.00 54.79 54.22 1h47 n ASP 36 Cb 0.00 -0.20 -0.01 0.00 -1.14 0.00 0.00 41.12 39.78 1h47 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h47 n GLY 37 N -0.17 0.50 3.56 6.12 0.00 -1.26 -4.65 105.19 109.29 1h47 n GLY 37 Ca 0.07 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 1h47 n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h47 s ASP 38 N -2.57 5.78 0.37 1.61 -1.08 -1.25 -4.80 116.67 114.71 1h47 s ASP 38 Ca 0.00 -1.01 0.09 0.00 -0.52 0.00 0.00 52.55 51.11 1h47 s ASP 38 Cb 0.00 -2.56 0.72 0.00 -1.46 0.00 0.00 42.92 39.62 1h47 s ASP 38 CO 0.00 -2.17 1.88 1.62 0.52 0.00 0.00 175.17 177.03 1h47 h VAL 39 N 7.03 1.20 -0.10 1.11 3.04 -1.93 -0.63 116.25 125.96 1h47 h VAL 39 Ca 0.13 -0.88 -0.07 0.00 -1.01 0.00 0.00 66.70 64.88 1h47 h VAL 39 Cb 1.01 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 1h47 h VAL 39 CO 1.31 0.27 -0.20 0.00 -1.01 0.00 0.00 177.57 177.94 1h47 h ALA 40 N 1.60 0.16 -0.04 3.17 0.00 -1.89 -1.88 119.26 120.38 1h47 h ALA 40 Ca 0.05 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1h47 h ALA 40 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1h47 h ALA 40 CO 0.03 0.10 -0.58 -0.07 0.00 0.00 0.00 179.25 178.73 1h47 h LEU 41 N -0.13 0.16 -0.22 0.00 3.38 -1.87 -1.16 115.31 115.46 1h47 h LEU 41 Ca 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1h47 h LEU 41 Cb 0.79 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1h47 h LEU 41 CO 0.04 0.70 0.02 -0.74 0.09 0.00 0.00 178.44 178.56 1h47 h HIS 42 N 0.11 0.41 -0.44 1.13 2.76 -1.13 0.22 115.15 118.20 1h47 h HIS 42 Ca -0.00 -0.06 -0.12 0.00 -2.20 0.00 0.00 60.37 57.98 1h47 h HIS 42 Cb 1.05 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 1h47 h HIS 42 CO 0.01 0.53 -0.20 0.00 -1.30 0.00 0.00 177.93 176.97 1h47 h ALA 43 N 0.82 0.80 -0.23 5.26 0.00 -1.28 -1.50 119.26 123.14 1h47 h ALA 43 Ca 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1h47 h ALA 43 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1h47 h ALA 43 CO 0.01 0.65 0.05 1.25 0.00 0.00 0.00 179.25 181.21 1h47 h LEU 44 N 0.77 0.35 -0.60 0.00 5.85 -1.10 -1.20 115.31 119.38 1h47 h LEU 44 Ca 0.11 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.69 1h47 h LEU 44 Cb 0.75 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 1h47 h LEU 44 CO 0.06 0.50 0.19 0.74 -0.34 0.00 0.00 178.44 179.59 1h47 h THR 45 N 0.18 0.73 -0.42 1.05 2.02 -0.88 -1.08 112.91 114.51 1h47 h THR 45 Ca 0.07 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1h47 h THR 45 Cb 0.29 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1h47 h THR 45 CO 0.00 0.06 -0.20 0.44 0.37 0.00 0.00 175.52 176.20 1h47 h ASP 46 N 0.35 0.82 -0.14 4.18 3.32 -0.93 -1.53 116.42 122.50 1h47 h ASP 46 Ca 0.31 -0.29 0.02 0.00 0.02 0.00 0.00 57.03 57.09 1h47 h ASP 46 Cb 0.41 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1h47 h ASP 46 CO -0.34 1.01 -0.02 0.00 -1.72 0.00 0.00 179.24 178.17 1h47 h ALA 47 N 1.06 0.10 -0.70 3.45 0.00 -0.88 0.24 119.26 122.52 1h47 h ALA 47 Ca 0.10 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1h47 h ALA 47 Cb 0.72 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1h47 h ALA 47 CO 0.06 -0.47 0.44 -0.07 0.00 0.00 0.00 179.25 179.20 1h47 h LEU 48 N 0.02 0.83 -0.43 0.00 3.38 -1.10 -0.03 115.31 117.97 1h47 h LEU 48 Ca 0.06 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1h47 h LEU 48 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1h47 h LEU 48 CO -0.12 0.63 -0.32 -0.07 0.09 0.00 0.00 178.44 178.65 1h47 h LEU 49 N 0.96 1.01 -0.56 1.67 3.38 -1.14 -2.63 115.31 117.99 1h47 h LEU 49 Ca 0.25 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 57.86 1h47 h LEU 49 Cb -0.06 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.35 1h47 h LEU 49 CO -0.05 1.24 0.24 1.23 0.09 0.00 0.00 178.44 181.19 1h47 h GLY 50 N 0.81 0.79 2.00 0.83 0.00 -0.31 0.27 103.07 107.46 1h47 h GLY 50 Ca 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1h47 h GLY 50 CO 0.09 0.05 -0.20 0.00 0.00 0.00 0.00 176.54 176.47 1h47 h ALA 51 N 1.35 1.67 -0.31 3.60 0.00 -0.66 -2.60 119.26 122.31 1h47 h ALA 51 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1h47 h ALA 51 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1h47 h ALA 51 CO -0.23 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1h47 n ALA 52 N -2.50 2.47 -4.04 0.00 0.00 -0.76 -4.62 120.51 111.05 1h47 n ALA 52 Ca -0.02 -0.75 -0.31 0.00 0.00 0.00 0.00 53.44 52.36 1h47 n ALA 52 Cb 0.26 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1h47 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h47 n ALA 53 N 0.83 -1.54 -0.73 0.00 0.00 -0.82 -4.91 120.51 113.34 1h47 n ALA 53 Ca 0.17 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.65 1h47 n ALA 53 Cb 0.44 -3.04 0.31 0.00 0.00 0.00 0.00 19.45 17.16 1h47 n ALA 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h47 n LEU 54 N -4.46 4.48 0.00 0.00 4.77 0.01 -5.03 117.00 116.78 1h47 n LEU 54 Ca -0.07 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.25 1h47 n LEU 54 Cb 0.57 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1h47 n LEU 54 CO 0.79 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 178.19 1h47 n GLY 55 N 0.46 1.49 3.83 -0.72 0.00 -1.26 -4.74 105.19 104.25 1h47 n GLY 55 Ca 0.23 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 1h47 n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1h47 s ASP 56 N -4.00 -0.01 0.34 1.61 1.47 -1.26 -4.29 116.67 110.53 1h47 s ASP 56 Ca 0.00 -0.94 0.09 0.00 1.18 0.00 0.00 52.55 52.88 1h47 s ASP 56 Cb 0.00 0.71 0.84 0.00 -0.34 0.00 0.00 42.92 44.13 1h47 s ASP 56 CO 0.00 -1.41 1.80 0.16 0.68 0.00 0.00 175.17 176.40 1h47 h ILE 57 N 2.00 0.71 -0.52 2.11 -0.00 -1.91 -2.08 117.51 117.82 1h47 h ILE 57 Ca -0.30 -0.23 -0.12 0.00 -0.00 0.00 0.00 64.86 64.21 1h47 h ILE 57 Cb 1.24 -0.02 -0.02 0.00 -0.00 0.00 0.00 36.82 38.03 1h47 h ILE 57 CO 0.38 0.12 -0.15 1.23 -0.00 0.00 0.00 178.15 179.73 1h47 h GLY 58 N 0.67 1.11 1.02 0.16 0.00 -1.97 0.25 103.07 104.31 1h47 h GLY 58 Ca 0.54 -0.93 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 1h47 h GLY 58 CO -0.31 0.85 -0.05 1.70 0.00 0.00 0.00 176.54 178.74 1h47 h LYS 59 N 0.90 0.87 -0.23 4.80 3.64 -1.80 -2.33 116.57 122.41 1h47 h LYS 59 Ca 0.13 -0.30 -0.19 0.00 -1.27 0.00 0.00 60.65 59.02 1h47 h LYS 59 Cb 0.73 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1h47 h LYS 59 CO 0.06 0.94 -0.60 -0.07 -2.27 0.00 0.00 179.45 177.51 1h47 h LEU 60 N 0.72 0.87 -6.41 5.20 4.07 -1.10 -3.38 115.31 115.28 1h47 h LEU 60 Ca 0.13 -0.49 -0.60 0.00 0.08 0.00 0.00 57.88 57.00 1h47 h LEU 60 Cb 0.57 -0.25 -0.41 0.00 1.08 0.00 0.00 40.66 41.65 1h47 h LEU 60 CO 0.03 1.27 -0.73 0.49 -1.08 0.00 0.00 178.44 178.42 1h47 n PHE 61 N -3.98 2.22 -1.07 1.13 3.72 0.85 -5.09 117.46 115.24 1h47 n PHE 61 Ca -0.05 -3.98 -0.34 0.00 -0.05 0.00 0.00 57.45 53.04 1h47 n PHE 61 Cb 0.65 -0.44 0.12 0.00 -0.94 0.00 0.00 39.48 38.88 1h47 n PHE 61 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1h47 n PRO 62 N 1.49 0.12 -0.14 -1.08 -0.02 -0.88 -4.60 135.00 129.89 1h47 n PRO 62 Ca 0.26 0.11 0.07 0.00 -2.02 0.00 0.00 63.50 61.92 1h47 n PRO 62 Cb 0.43 -2.33 0.39 0.00 -0.02 0.00 0.00 33.50 31.97 1h47 n PRO 62 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1h47 h ASP 63 N -0.96 0.58 0.05 2.55 1.82 -1.97 -2.47 116.42 116.01 1h47 h ASP 63 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1h47 h ASP 63 Cb 1.30 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1h47 h ASP 63 CO 0.44 0.37 -0.07 1.07 -1.61 0.00 0.00 179.24 179.44 1h47 n THR 64 N -4.48 0.00 -3.16 2.25 5.66 -1.26 -4.78 114.28 108.51 1h47 n THR 64 Ca 0.10 -0.23 -0.41 0.00 -3.05 0.00 0.00 64.05 60.45 1h47 n THR 64 Cb 0.24 0.53 -0.07 0.00 -1.55 0.00 0.00 70.33 69.48 1h47 n THR 64 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1h47 s ASP 65 N -2.14 6.41 0.27 1.09 -1.08 -0.93 -4.96 116.67 115.34 1h47 s ASP 65 Ca 0.34 0.21 0.03 0.00 -0.52 0.00 0.00 52.55 52.61 1h47 s ASP 65 Cb 0.20 -2.31 0.38 0.00 -1.46 0.00 0.00 42.92 39.74 1h47 s ASP 65 CO 0.38 -0.50 1.69 1.55 0.52 0.00 0.00 175.17 178.81 1h47 h PRO 66 N 8.34 0.42 -0.62 4.34 0.13 -1.87 -3.33 132.00 139.41 1h47 h PRO 66 Ca -0.27 -0.18 0.08 0.00 -0.87 0.00 0.00 66.00 64.76 1h47 h PRO 66 Cb 1.12 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.15 1h47 h PRO 66 CO 0.80 0.71 -0.29 0.00 -0.23 0.00 0.00 178.00 178.98 1h47 n ALA 67 N -2.49 -0.19 0.22 -0.56 0.00 -1.26 -1.61 120.51 114.62 1h47 n ALA 67 Ca -0.01 0.59 0.06 0.00 0.00 0.00 0.00 53.44 54.08 1h47 n ALA 67 Cb 0.45 -0.21 0.10 0.00 0.00 0.00 0.00 19.45 19.80 1h47 n ALA 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1h47 n PHE 68 N -4.87 0.22 -1.65 0.00 3.72 -1.26 -4.93 117.46 108.70 1h47 n PHE 68 Ca 0.05 -0.21 -0.51 0.00 -0.05 0.00 0.00 57.45 56.73 1h47 n PHE 68 Cb 0.22 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 1h47 n PHE 68 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1h47 n LYS 69 N 0.67 1.59 -0.31 -1.08 4.01 -0.63 -1.02 118.16 121.39 1h47 n LYS 69 Ca 0.10 0.58 0.00 0.00 -0.51 0.00 0.00 58.31 58.47 1h47 n LYS 69 Cb 0.37 -2.29 0.00 0.00 -0.51 0.00 0.00 35.03 32.60 1h47 n LYS 69 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1h47 n GLY 70 N 3.31 1.57 3.77 0.72 0.00 -1.26 -5.04 105.19 108.25 1h47 n GLY 70 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1h47 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h47 s ALA 71 N -3.02 2.98 0.77 4.61 0.00 -0.19 -5.00 121.76 121.92 1h47 s ALA 71 Ca 0.00 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 1h47 s ALA 71 Cb 0.00 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.74 1h47 s ALA 71 CO 0.00 -0.82 1.15 0.16 0.00 0.00 0.00 175.76 176.25 1h47 s ASP 72 N -1.19 4.87 0.40 0.00 1.47 -1.26 -4.61 116.67 116.35 1h47 s ASP 72 Ca 0.64 0.92 0.21 0.00 1.18 0.00 0.00 52.55 55.50 1h47 s ASP 72 Cb -0.32 -1.53 0.77 0.00 -0.34 0.00 0.00 42.92 41.50 1h47 s ASP 72 CO 0.39 -1.69 1.77 0.28 0.68 0.00 0.00 175.17 176.60 1h47 h SER 73 N -0.90 0.00 0.38 2.11 0.02 -1.96 -1.84 113.55 111.36 1h47 h SER 73 Ca -0.46 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.34 1h47 h SER 73 Cb 1.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1h47 h SER 73 CO 0.65 0.31 -0.65 0.03 -1.14 0.00 0.00 176.83 176.03 1h47 h ARG 74 N 0.00 0.25 -0.34 3.45 3.08 -1.97 0.85 114.38 119.71 1h47 h ARG 74 Ca -0.00 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.76 1h47 h ARG 74 Cb 0.84 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1h47 h ARG 74 CO 0.04 0.82 -0.15 0.93 -1.07 0.00 0.00 179.97 180.54 1h47 h GLU 75 N 0.18 0.70 -0.52 0.04 5.08 -1.74 -0.79 114.58 117.53 1h47 h GLU 75 Ca -0.01 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1h47 h GLU 75 Cb 1.18 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1h47 h GLU 75 CO 0.10 0.90 0.16 -0.07 -1.00 0.00 0.00 179.01 179.10 1h47 h LEU 76 N 0.47 0.76 -0.38 1.33 3.38 -1.22 -1.31 115.31 118.34 1h47 h LEU 76 Ca 0.08 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1h47 h LEU 76 Cb 0.68 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1h47 h LEU 76 CO 0.05 0.77 0.22 0.25 0.09 0.00 0.00 178.44 179.82 1h47 h LEU 77 N 0.72 0.35 -0.91 1.67 5.85 -0.74 0.13 115.31 122.37 1h47 h LEU 77 Ca 0.17 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1h47 h LEU 77 Cb 0.28 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1h47 h LEU 77 CO -0.00 0.25 -0.15 0.03 -0.34 0.00 0.00 178.44 178.23 1h47 h ARG 78 N 0.44 0.63 -0.04 1.25 3.08 -0.93 0.65 114.38 119.47 1h47 h ARG 78 Ca 0.15 -0.21 -0.16 0.00 0.07 0.00 0.00 59.98 59.83 1h47 h ARG 78 Cb 0.02 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.03 1h47 h ARG 78 CO -0.08 0.75 -0.61 1.49 -1.07 0.00 0.00 179.97 180.45 1h47 h GLU 79 N 0.57 0.48 -0.33 0.04 4.57 -0.98 -1.61 114.58 117.30 1h47 h GLU 79 Ca 0.10 -0.47 0.06 0.00 -1.18 0.00 0.00 59.36 57.87 1h47 h GLU 79 Cb 0.59 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.24 1h47 h GLU 79 CO 0.04 1.11 -0.05 0.00 -1.18 0.00 0.00 179.01 178.93 1h47 h ALA 80 N 0.38 0.25 -0.99 2.92 0.00 -0.62 -1.23 119.26 119.97 1h47 h ALA 80 Ca -0.07 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1h47 h ALA 80 Cb 1.30 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1h47 h ALA 80 CO 0.12 -0.44 0.66 2.35 0.00 0.00 0.00 179.25 181.94 1h47 h TRP 81 N 0.03 1.24 -0.46 0.00 -0.00 -0.88 0.00 115.95 115.88 1h47 h TRP 81 Ca 0.16 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 59.09 1h47 h TRP 81 Cb 0.24 -0.42 -0.03 0.00 -0.00 0.00 0.00 29.16 28.95 1h47 h TRP 81 CO -0.28 0.77 0.29 -0.09 -0.00 0.00 0.00 178.44 179.12 1h47 h ARG 82 N 1.32 0.57 -0.16 2.65 2.43 -0.68 -1.23 114.38 119.28 1h47 h ARG 82 Ca 0.37 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.41 1h47 h ARG 82 Cb -0.12 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1h47 h ARG 82 CO -0.09 0.38 -0.34 0.00 -1.51 0.00 0.00 179.97 178.41 1h47 h ARG 83 N 0.59 0.32 -0.42 0.20 3.08 -0.47 -1.96 114.38 115.71 1h47 h ARG 83 Ca 0.18 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 1h47 h ARG 83 Cb -0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1h47 h ARG 83 CO -0.06 0.63 -0.27 0.82 -1.07 0.00 0.00 179.97 180.01 1h47 h ILE 84 N 0.28 1.27 0.00 2.04 2.04 -0.68 -2.84 117.51 119.62 1h47 h ILE 84 Ca 0.03 -1.44 -0.08 0.00 1.00 0.00 0.00 64.86 64.38 1h47 h ILE 84 Cb 0.73 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1h47 h ILE 84 CO 0.06 0.49 -0.38 1.56 0.00 0.00 0.00 178.15 179.87 1h47 h GLN 85 N 0.77 0.00 0.00 2.37 4.20 -0.95 -2.60 115.11 118.89 1h47 h GLN 85 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1h47 h GLN 85 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1h47 h GLN 85 CO 0.08 0.38 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 1h47 h ALA 86 N 1.62 1.00 -0.01 3.87 0.00 -1.11 0.68 119.26 125.31 1h47 h ALA 86 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h47 h ALA 86 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1h47 h ALA 86 CO 0.05 0.00 -0.04 1.63 0.00 0.00 0.00 179.25 180.89 1h47 n LYS 87 N -2.70 1.17 -0.23 0.00 5.02 -0.98 -4.95 118.16 115.49 1h47 n LYS 87 Ca 0.01 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 1h47 n LYS 87 Cb 0.23 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1h47 n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h47 n GLY 88 N 1.16 0.85 3.80 0.72 0.00 0.23 -5.08 105.19 106.86 1h47 n GLY 88 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1h47 n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h47 s TYR 89 N -2.07 3.71 0.46 1.61 2.02 -1.22 -4.64 117.35 117.22 1h47 s TYR 89 Ca 0.00 1.54 0.04 0.00 -0.37 0.00 0.00 57.07 58.28 1h47 s TYR 89 Cb 0.00 -2.73 -0.05 0.00 -0.40 0.00 0.00 41.96 38.79 1h47 s TYR 89 CO 0.00 0.34 0.01 0.95 -1.57 0.00 0.00 175.55 175.27 1h47 s THR 90 N -1.48 1.55 -0.04 -0.71 -4.23 -0.05 -4.27 115.64 106.42 1h47 s THR 90 Ca 0.44 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.68 1h47 s THR 90 Cb -0.18 -2.57 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1h47 s THR 90 CO 0.23 0.00 0.82 -0.22 -0.54 0.00 0.00 174.62 174.91 1h47 s LEU 91 N -3.79 4.34 0.00 4.79 2.96 -1.26 -0.62 118.68 125.10 1h47 s LEU 91 Ca 0.20 1.39 0.00 0.00 -0.22 0.00 0.00 54.13 55.51 1h47 s LEU 91 Cb 0.06 -3.30 0.00 0.00 0.50 0.00 0.00 46.19 43.45 1h47 s LEU 91 CO 0.11 -0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.56 1h47 n GLY 92 N 3.02 0.91 3.82 7.98 0.00 -0.08 -4.75 105.19 116.09 1h47 n GLY 92 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1h47 n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h47 s ASN 93 N -1.23 -0.27 0.05 1.61 4.22 -1.01 -4.89 114.94 113.42 1h47 s ASN 93 Ca 0.00 -0.58 0.01 0.00 -2.14 0.00 0.00 52.86 50.14 1h47 s ASN 93 Cb 0.00 0.71 -0.03 0.00 1.28 0.00 0.00 41.25 43.21 1h47 s ASN 93 CO 0.00 -1.32 -0.05 0.68 -2.04 0.00 0.00 177.10 174.37 1h47 s VAL 94 N -3.91 0.42 -0.08 3.54 -7.23 -0.32 -1.07 120.40 111.74 1h47 s VAL 94 Ca 0.11 -1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1h47 s VAL 94 Cb -0.05 -0.97 0.04 0.00 0.56 0.00 0.00 36.38 35.95 1h47 s VAL 94 CO 0.06 -0.65 0.19 -0.62 -0.31 0.00 0.00 175.10 173.76 1h47 s ASP 95 N -2.18 -0.18 -0.03 4.85 2.15 -0.72 -1.72 116.67 118.84 1h47 s ASP 95 Ca -0.03 0.40 0.06 0.00 0.43 0.00 0.00 52.55 53.41 1h47 s ASP 95 Cb -0.03 0.29 -0.01 0.00 -0.30 0.00 0.00 42.92 42.88 1h47 s ASP 95 CO -0.03 -0.15 -0.20 -0.69 -0.17 0.00 0.00 175.17 173.92 1h47 s VAL 96 N 1.12 1.65 -0.29 1.11 1.01 -0.56 -0.98 120.40 123.47 1h47 s VAL 96 Ca -0.08 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 1h47 s VAL 96 Cb -0.10 -1.39 0.09 0.00 0.00 0.00 0.00 36.38 34.97 1h47 s VAL 96 CO -0.07 0.47 0.06 -0.89 0.00 0.00 0.00 175.10 174.67 1h47 s THR 97 N -0.25 1.16 0.00 3.92 2.01 0.52 -0.63 115.64 122.37 1h47 s THR 97 Ca 0.02 -1.40 -0.27 0.00 0.31 0.00 0.00 61.69 60.34 1h47 s THR 97 Cb -0.10 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1h47 s THR 97 CO 0.01 -0.50 0.87 -0.63 -0.69 0.00 0.00 174.62 173.68 1h47 s ILE 98 N 1.50 4.85 -0.34 1.82 -1.09 0.24 -1.10 121.20 127.08 1h47 s ILE 98 Ca 0.06 1.83 -0.01 0.00 -2.23 0.00 0.00 60.65 60.30 1h47 s ILE 98 Cb -0.18 -4.21 0.08 0.00 -1.58 0.00 0.00 42.46 36.56 1h47 s ILE 98 CO -0.17 0.24 0.07 -0.63 -1.23 0.00 0.00 174.94 173.22 1h47 s ILE 99 N 0.65 3.00 -0.20 2.92 1.01 0.09 -0.76 121.20 127.92 1h47 s ILE 99 Ca 0.45 -1.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.27 1h47 s ILE 99 Cb -0.20 -2.89 0.06 0.00 0.01 0.00 0.00 42.46 39.44 1h47 s ILE 99 CO 0.25 -0.35 0.49 0.00 0.00 0.00 0.00 174.94 175.32 1h47 s ALA 100 N 1.18 -1.26 0.18 9.38 0.00 -0.51 -1.54 121.76 129.19 1h47 s ALA 100 Ca 0.01 1.68 -0.05 0.00 0.00 0.00 0.00 51.96 53.60 1h47 s ALA 100 Cb -0.21 -1.00 0.07 0.00 0.00 0.00 0.00 23.12 21.98 1h47 s ALA 100 CO -0.03 -0.28 1.49 0.37 0.00 0.00 0.00 175.76 177.31 1h47 h GLN 101 N 6.68 0.65 -2.50 0.00 5.75 -1.82 -3.30 115.11 120.57 1h47 h GLN 101 Ca -0.33 -0.40 0.04 0.00 -0.15 0.00 0.00 58.65 57.81 1h47 h GLN 101 Cb 1.19 0.04 -0.15 0.00 1.07 0.00 0.00 27.48 29.63 1h47 h GLN 101 CO 0.24 1.01 0.36 0.00 -2.65 0.00 0.00 178.83 177.79 1h47 s ALA 102 N -4.07 -1.74 0.95 3.38 0.00 -1.26 -4.81 121.76 114.22 1h47 s ALA 102 Ca -0.08 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 1h47 s ALA 102 Cb 0.11 0.50 0.17 0.00 0.00 0.00 0.00 23.12 23.89 1h47 s ALA 102 CO 0.85 -0.67 1.16 -1.25 0.00 0.00 0.00 175.76 175.86 1h47 s PRO 103 N -3.08 0.77 0.01 0.00 0.04 -1.26 -5.02 135.00 126.46 1h47 s PRO 103 Ca 0.02 0.14 -0.30 0.00 0.04 0.00 0.00 61.00 60.89 1h47 s PRO 103 Cb -0.01 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 1h47 s PRO 103 CO -0.08 -2.42 1.75 0.21 0.04 0.00 0.00 177.00 176.50 1h47 s LYS 104 N -5.39 4.17 -0.03 4.56 2.47 -1.26 -4.91 119.74 119.36 1h47 s LYS 104 Ca 0.66 2.36 0.04 0.00 -1.56 0.00 0.00 55.97 57.47 1h47 s LYS 104 Cb -0.12 -3.94 -0.25 0.00 -1.46 0.00 0.00 37.83 32.06 1h47 s LYS 104 CO 0.54 -0.85 0.73 0.52 0.16 0.00 0.00 175.35 176.44 1h47 h MET 105 N 9.56 0.12 -0.97 4.03 2.86 -1.97 -3.42 114.93 125.12 1h47 h MET 105 Ca -0.43 -0.20 0.10 0.00 -2.06 0.00 0.00 59.70 57.11 1h47 h MET 105 Cb 1.20 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.86 1h47 h MET 105 CO 0.94 0.85 0.61 1.25 1.06 0.00 0.00 176.91 181.62 1h47 h LEU 106 N 0.03 0.92 -2.04 1.22 5.85 -1.98 0.16 115.31 119.47 1h47 h LEU 106 Ca -0.27 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1h47 h LEU 106 Cb 1.99 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.87 1h47 h LEU 106 CO 0.11 0.52 -0.04 -0.65 -0.34 0.00 0.00 178.44 178.04 1h47 h PRO 107 N 1.01 0.00 -0.01 5.25 0.11 -2.02 -2.65 132.00 133.70 1h47 h PRO 107 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1h47 h PRO 107 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1h47 h PRO 107 CO -0.24 0.04 -0.48 0.72 -0.21 0.00 0.00 178.00 177.83 1h47 n HIS 108 N -4.27 0.00 -0.14 0.65 8.25 0.52 -4.52 115.22 115.71 1h47 n HIS 108 Ca -0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.35 1h47 n HIS 108 Cb 0.13 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.16 1h47 n HIS 108 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1h47 h ILE 109 N 1.19 1.14 -0.75 1.59 2.04 -1.03 -2.43 117.51 119.26 1h47 h ILE 109 Ca 0.00 -0.33 0.17 0.00 1.00 0.00 0.00 64.86 65.70 1h47 h ILE 109 Cb 0.58 0.57 -0.12 0.00 -0.74 0.00 0.00 36.82 37.11 1h47 h ILE 109 CO 0.00 0.15 0.08 -0.65 0.00 0.00 0.00 178.15 177.73 1h47 h PRO 110 N 0.58 0.16 -0.33 2.37 0.11 -1.79 -0.77 132.00 132.32 1h47 h PRO 110 Ca 0.16 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.10 1h47 h PRO 110 Cb 0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1h47 h PRO 110 CO -0.03 0.10 -0.42 0.37 -0.21 0.00 0.00 178.00 177.82 1h47 h GLN 111 N 0.16 0.87 -0.75 1.05 5.75 -1.82 -1.93 115.11 118.45 1h47 h GLN 111 Ca 0.42 -0.49 0.11 0.00 -0.15 0.00 0.00 58.65 58.54 1h47 h GLN 111 Cb 0.76 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 29.26 1h47 h GLN 111 CO -0.61 1.14 0.36 0.52 -2.65 0.00 0.00 178.83 177.59 1h47 h MET 112 N 0.67 0.57 -0.52 1.69 2.86 -0.87 -1.04 114.93 118.28 1h47 h MET 112 Ca 0.04 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 1h47 h MET 112 Cb 1.02 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1h47 h MET 112 CO 0.10 0.37 0.05 0.00 1.06 0.00 0.00 176.91 178.49 1h47 h ARG 113 N 0.58 0.89 -0.53 1.72 3.08 -0.79 -1.15 114.38 118.18 1h47 h ARG 113 Ca 0.39 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 60.22 1h47 h ARG 113 Cb 0.48 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1h47 h ARG 113 CO -0.31 0.89 0.29 0.28 -1.07 0.00 0.00 179.97 180.04 1h47 h VAL 114 N 0.76 0.99 -0.42 2.04 2.07 -0.76 -1.54 116.25 119.40 1h47 h VAL 114 Ca 0.15 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.33 1h47 h VAL 114 Cb 0.46 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1h47 h VAL 114 CO 0.02 0.10 -0.32 -0.26 0.02 0.00 0.00 177.57 177.13 1h47 h PHE 115 N 0.56 1.11 -0.47 1.57 0.04 -0.77 -2.39 116.94 116.59 1h47 h PHE 115 Ca 0.23 -0.31 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 1h47 h PHE 115 Cb 0.10 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 1h47 h PHE 115 CO -0.09 1.13 0.11 0.82 -0.60 0.00 0.00 178.31 179.68 1h47 h ILE 116 N 0.79 1.24 -0.83 -0.55 2.04 -1.08 -1.00 117.51 118.12 1h47 h ILE 116 Ca 0.08 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 1h47 h ILE 116 Cb 0.91 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1h47 h ILE 116 CO 0.08 0.30 0.42 0.00 0.00 0.00 0.00 178.15 178.95 1h47 h ALA 117 N 0.98 1.06 -0.49 1.87 0.00 -1.14 -1.01 119.26 120.53 1h47 h ALA 117 Ca 0.15 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1h47 h ALA 117 Cb 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1h47 h ALA 117 CO 0.00 0.61 -0.18 0.93 0.00 0.00 0.00 179.25 180.61 1h47 h GLU 118 N 1.16 0.99 0.00 0.00 5.08 -1.35 0.17 114.58 120.64 1h47 h GLU 118 Ca 0.29 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1h47 h GLU 118 Cb 0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1h47 h GLU 118 CO -0.04 1.09 -0.25 -0.44 -1.00 0.00 0.00 179.01 178.37 1h47 h ASP 119 N 0.85 0.00 -0.02 1.42 3.32 -0.81 -3.02 116.42 118.16 1h47 h ASP 119 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1h47 h ASP 119 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1h47 h ASP 119 CO 0.06 0.25 -0.00 0.18 -1.72 0.00 0.00 179.24 178.00 1h47 n LEU 120 N -4.12 2.44 -3.23 1.55 4.77 -0.42 -4.76 117.00 113.22 1h47 n LEU 120 Ca -0.02 -1.00 -0.23 0.00 -0.03 0.00 0.00 56.01 54.73 1h47 n LEU 120 Cb 0.31 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1h47 n LEU 120 CO 0.36 0.43 0.05 0.61 -1.33 0.00 0.00 177.39 177.51 1h47 n GLY 121 N 0.98 -0.52 3.72 -0.72 0.00 0.34 -4.95 105.19 104.04 1h47 n GLY 121 Ca 0.10 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 1h47 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h47 s HIS 123 N -2.81 3.40 0.29 0.00 3.76 -1.26 -4.53 115.29 114.13 1h47 s HIS 123 Ca 0.17 1.51 0.03 0.00 -0.15 0.00 0.00 55.06 56.62 1h47 s HIS 123 Cb 0.04 -2.81 0.63 0.00 1.11 0.00 0.00 32.58 31.55 1h47 s HIS 123 CO 0.09 -0.30 1.80 0.52 -0.85 0.00 0.00 174.74 176.00 1h47 h MET 124 N 1.23 0.82 0.00 1.40 0.00 -1.93 -1.61 114.93 114.83 1h47 h MET 124 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 59.70 59.18 1h47 h MET 124 Cb 1.18 -0.18 0.00 0.00 0.00 0.00 0.00 31.60 32.60 1h47 h MET 124 CO 0.61 0.54 0.00 -3.47 0.00 0.00 0.00 176.91 174.59 1h47 n ASP 125 N -4.72 0.17 -0.96 1.22 -0.08 -1.26 -1.27 116.55 109.65 1h47 n ASP 125 Ca 0.21 0.57 0.12 0.00 -1.51 0.00 0.00 54.79 54.17 1h47 n ASP 125 Cb 0.46 -0.59 0.25 0.00 2.34 0.00 0.00 41.12 43.57 1h47 n ASP 125 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1h47 n ASP 126 N -1.71 2.91 -3.99 1.67 8.00 -0.60 -4.89 116.55 117.92 1h47 n ASP 126 Ca 0.01 -1.91 -0.26 0.00 0.71 0.00 0.00 54.79 53.34 1h47 n ASP 126 Cb 0.07 -0.17 -0.17 0.00 -0.02 0.00 0.00 41.12 40.83 1h47 n ASP 126 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1h47 s VAL 127 N -1.66 1.15 0.01 2.53 1.01 -0.40 -1.17 120.40 121.86 1h47 s VAL 127 Ca 0.36 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.96 1h47 s VAL 127 Cb 0.21 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1h47 s VAL 127 CO 0.30 0.37 -0.19 0.21 0.00 0.00 0.00 175.10 175.79 1h47 s ASN 128 N 1.02 2.20 -0.00 3.32 2.47 -0.70 -4.98 114.94 118.27 1h47 s ASN 128 Ca -0.08 -0.39 0.01 0.00 0.42 0.00 0.00 52.86 52.82 1h47 s ASN 128 Cb -0.15 -0.22 -0.00 0.00 -1.45 0.00 0.00 41.25 39.43 1h47 s ASN 128 CO -0.01 0.19 -0.04 -0.69 -3.72 0.00 0.00 177.10 172.84 1h47 s VAL 129 N -0.56 0.32 0.25 -5.21 1.01 -1.26 -1.50 120.40 113.45 1h47 s VAL 129 Ca 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1h47 s VAL 129 Cb -0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1h47 s VAL 129 CO 0.00 0.09 0.21 -1.59 0.00 0.00 0.00 175.10 173.81 1h47 s LYS 130 N -0.08 1.43 0.03 2.72 -2.85 0.20 -4.95 119.74 116.25 1h47 s LYS 130 Ca 0.01 -1.75 -0.04 0.00 -1.00 0.00 0.00 55.97 53.19 1h47 s LYS 130 Cb -0.02 0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 36.04 1h47 s LYS 130 CO -0.00 -0.50 0.07 0.00 0.10 0.00 0.00 175.35 175.01 1h47 s ALA 131 N -3.87 -0.03 0.03 0.59 0.00 -1.26 -0.59 121.76 116.63 1h47 s ALA 131 Ca 0.38 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 1h47 s ALA 131 Cb 0.05 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1h47 s ALA 131 CO 0.17 -0.27 0.03 -0.08 0.00 0.00 0.00 175.76 175.61 1h47 s THR 132 N -2.22 0.13 0.72 0.00 -1.32 0.06 -4.92 115.64 108.10 1h47 s THR 132 Ca -0.08 -1.11 -0.02 0.00 -1.21 0.00 0.00 61.69 59.27 1h47 s THR 132 Cb -0.04 -0.70 0.13 0.00 -1.51 0.00 0.00 72.50 70.38 1h47 s THR 132 CO -0.03 -0.61 1.00 0.42 -2.21 0.00 0.00 174.62 173.19 1h47 s THR 133 N -2.25 2.15 -0.22 5.08 -4.23 -1.24 -1.43 115.64 113.50 1h47 s THR 133 Ca -0.08 -0.56 0.13 0.00 -1.18 0.00 0.00 61.69 59.99 1h47 s THR 133 Cb -0.04 -2.59 0.46 0.00 1.34 0.00 0.00 72.50 71.67 1h47 s THR 133 CO -0.03 0.00 1.36 0.35 -0.54 0.00 0.00 174.62 175.75 1h47 n THR 134 N -2.86 2.31 -3.67 3.99 -2.24 -1.26 -4.88 114.28 105.67 1h47 n THR 134 Ca 0.15 -2.54 -0.23 0.00 -2.27 0.00 0.00 64.05 59.16 1h47 n THR 134 Cb 0.60 -0.28 0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1h47 n THR 134 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1h47 n GLU 135 N -1.04 -6.04 -1.40 -0.78 2.13 -1.26 -1.15 120.64 111.11 1h47 n GLU 135 Ca 0.25 0.71 -0.14 0.00 0.66 0.00 0.00 57.16 58.64 1h47 n GLU 135 Cb 0.87 -5.54 -0.06 0.00 0.27 0.00 0.00 31.44 26.98 1h47 n GLU 135 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1h47 n LYS 136 N -4.48 -1.36 -4.07 5.31 5.02 -1.26 -4.99 118.16 112.32 1h47 n LYS 136 Ca -0.16 0.97 -0.29 0.00 -2.02 0.00 0.00 58.31 56.81 1h47 n LYS 136 Cb 0.62 -5.23 -0.06 0.00 -0.02 0.00 0.00 35.03 30.33 1h47 n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h47 s LEU 137 N -3.12 3.75 0.00 -0.35 1.43 -0.30 -4.16 118.68 115.93 1h47 s LEU 137 Ca 0.00 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1h47 s LEU 137 Cb 0.00 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1h47 s LEU 137 CO 0.00 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1h47 n GLY 138 N 0.21 -1.95 0.32 -3.19 0.00 -1.26 -0.88 105.19 98.44 1h47 n GLY 138 Ca -0.09 -1.35 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 1h47 n GLY 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1h47 h PHE 139 N -0.25 0.85 -0.10 1.61 -0.00 -1.96 -1.07 116.94 116.02 1h47 h PHE 139 Ca 0.01 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.97 57.90 1h47 h PHE 139 Cb 0.25 -0.26 -0.00 0.00 -0.00 0.00 0.00 35.95 35.93 1h47 h PHE 139 CO 0.00 0.65 -0.06 1.79 -0.00 0.00 0.00 178.31 180.69 1h47 h THR 140 N 0.84 1.33 0.00 0.88 1.35 -1.75 -0.64 112.91 114.92 1h47 h THR 140 Ca 0.20 -1.13 -0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1h47 h THR 140 Cb 0.14 1.86 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1h47 h THR 140 CO -0.02 0.32 -0.01 1.23 -0.25 0.00 0.00 175.52 176.79 1h47 h GLY 141 N -0.15 0.00 0.22 5.82 0.00 -0.53 -1.00 103.07 107.43 1h47 h GLY 141 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1h47 h GLY 141 CO 0.02 0.00 -0.28 0.54 0.00 0.00 0.00 176.54 176.82 1h47 n ARG 142 N -3.91 0.81 -1.45 4.80 1.74 -0.45 -4.23 116.66 113.98 1h47 n ARG 142 Ca -0.03 -0.49 0.00 0.00 -0.77 0.00 0.00 57.85 56.56 1h47 n ARG 142 Cb 0.09 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1h47 n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h47 n GLY 143 N 1.35 0.42 0.15 -0.13 0.00 -0.38 -4.95 105.19 101.64 1h47 n GLY 143 Ca 0.12 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 45.30 1h47 n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h47 h GLU 144 N 0.00 0.00 0.00 1.61 5.08 -1.32 -3.45 114.58 116.49 1h47 h GLU 144 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1h47 h GLU 144 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1h47 h GLU 144 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1h47 n GLY 145 N 1.21 -1.28 3.04 -3.84 0.00 -1.24 -1.08 105.19 102.00 1h47 n GLY 145 Ca 0.04 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 1h47 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h47 s ILE 146 N -2.96 0.74 0.40 -0.61 -1.09 -0.51 -4.33 121.20 112.85 1h47 s ILE 146 Ca 0.00 -0.50 0.07 0.00 -2.23 0.00 0.00 60.65 57.99 1h47 s ILE 146 Cb 0.00 -0.64 -0.07 0.00 -1.58 0.00 0.00 42.46 40.17 1h47 s ILE 146 CO 0.00 0.14 0.06 0.00 -1.23 0.00 0.00 174.94 173.91 1h47 s ALA 147 N -0.36 3.30 -0.27 9.38 0.00 -0.59 -2.07 121.76 131.15 1h47 s ALA 147 Ca 0.02 -2.22 -0.21 0.00 0.00 0.00 0.00 51.96 49.55 1h47 s ALA 147 Cb -0.04 -0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.10 1h47 s ALA 147 CO -0.00 -0.12 0.70 0.00 0.00 0.00 0.00 175.76 176.34 1h47 s GLU 149 N 0.87 2.02 0.01 0.00 2.02 -0.26 -1.59 118.70 121.76 1h47 s GLU 149 Ca -0.04 -1.23 -0.10 0.00 0.02 0.00 0.00 54.97 53.62 1h47 s GLU 149 Cb -0.05 -2.16 0.01 0.00 0.10 0.00 0.00 34.13 32.02 1h47 s GLU 149 CO -0.07 0.45 0.20 0.00 0.02 0.00 0.00 175.26 175.85 1h47 s ALA 150 N -1.57 -0.46 0.12 5.21 0.00 -0.50 -0.36 121.76 124.20 1h47 s ALA 150 Ca 0.23 -0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.21 1h47 s ALA 150 Cb -0.09 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1h47 s ALA 150 CO 0.14 -0.25 -0.12 0.14 0.00 0.00 0.00 175.76 175.67 1h47 s VAL 151 N -1.59 1.19 0.00 0.00 -7.23 -0.15 -1.13 120.40 111.50 1h47 s VAL 151 Ca -0.13 -1.74 -0.11 0.00 -1.81 0.00 0.00 61.98 58.19 1h47 s VAL 151 Cb -0.06 -1.52 0.01 0.00 0.56 0.00 0.00 36.38 35.37 1h47 s VAL 151 CO 0.01 -0.51 0.21 0.00 -0.31 0.00 0.00 175.10 174.51 1h47 s ALA 152 N -2.40 -0.51 -0.09 1.32 0.00 -0.52 -1.76 121.76 117.81 1h47 s ALA 152 Ca 0.09 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1h47 s ALA 152 Cb -0.03 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1h47 s ALA 152 CO 0.02 -0.26 -0.14 -1.17 0.00 0.00 0.00 175.76 174.21 1h47 s LEU 153 N -1.50 1.67 0.23 0.00 2.96 -0.24 -1.77 118.68 120.04 1h47 s LEU 153 Ca -0.13 -0.36 0.09 0.00 -0.22 0.00 0.00 54.13 53.52 1h47 s LEU 153 Cb -0.05 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 1h47 s LEU 153 CO 0.02 0.03 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.27 1h47 s LEU 154 N 0.81 3.10 -0.04 -0.68 1.43 -0.37 -0.90 118.68 122.02 1h47 s LEU 154 Ca -0.11 -0.63 0.06 0.00 -1.03 0.00 0.00 54.13 52.42 1h47 s LEU 154 Cb -0.15 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1h47 s LEU 154 CO 0.02 0.04 -0.22 -0.63 0.23 0.00 0.00 176.35 175.79 1h47 s ILE 155 N -2.09 2.42 -2.82 -0.59 1.01 0.21 -0.98 121.20 118.36 1h47 s ILE 155 Ca 0.29 -0.96 0.25 0.00 0.00 0.00 0.00 60.65 60.23 1h47 s ILE 155 Cb -0.07 -1.89 0.32 0.00 0.01 0.00 0.00 42.46 40.83 1h47 s ILE 155 CO 0.18 0.58 1.44 2.29 0.00 0.00 0.00 174.94 179.43