#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g5m h HIS 2 N 0.00 -0.00 -3.29 1.61 -0.00 -2.02 -3.45 115.15 108.01 2g5m h HIS 2 Ca 0.00 -0.00 -0.58 0.00 -0.00 0.00 0.00 60.37 59.79 2g5m h HIS 2 Cb 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 27.41 27.07 2g5m h HIS 2 CO 0.00 0.94 -0.83 -1.64 -0.00 0.00 0.00 177.93 176.40 2g5m s MET 3 N -2.38 2.17 -0.57 2.45 1.00 -1.26 -2.83 119.30 117.88 2g5m s MET 3 Ca -0.18 -0.55 -0.19 0.00 0.00 0.00 0.00 55.69 54.77 2g5m s MET 3 Cb -0.03 -1.84 0.09 0.00 0.00 0.00 0.00 34.83 33.06 2g5m s MET 3 CO 0.68 -0.05 0.68 -1.21 0.00 0.00 0.00 175.02 175.12 2g5m s GLU 4 N 0.94 3.06 -0.93 2.03 2.02 0.61 -4.86 118.70 121.58 2g5m s GLU 4 Ca -0.08 -1.20 -0.20 0.00 0.02 0.00 0.00 54.97 53.52 2g5m s GLU 4 Cb -0.15 -4.22 0.11 0.00 0.10 0.00 0.00 34.13 29.97 2g5m s GLU 4 CO -0.01 -1.46 1.18 -0.51 0.02 0.00 0.00 175.26 174.49 2g5m s LEU 5 N 2.68 4.69 0.05 1.80 2.01 -1.25 -1.34 118.68 127.32 2g5m s LEU 5 Ca 0.13 -1.85 0.09 0.00 0.01 0.00 0.00 54.13 52.51 2g5m s LEU 5 Cb -0.23 -2.44 -0.03 0.00 0.01 0.00 0.00 46.19 43.51 2g5m s LEU 5 CO 0.08 -1.18 -0.25 0.72 1.01 0.00 0.00 176.35 176.73 2g5m s PHE 6 N 3.25 2.36 0.25 0.29 -0.12 0.35 -4.92 117.98 119.45 2g5m s PHE 6 Ca 0.35 -0.38 -0.30 0.00 -0.05 0.00 0.00 56.93 56.55 2g5m s PHE 6 Cb -0.05 -1.40 -0.09 0.00 -0.63 0.00 0.00 43.02 40.85 2g5m s PHE 6 CO -0.08 0.15 1.07 -1.25 -0.05 0.00 0.00 175.22 175.06 2g5m s PRO 7 N -1.29 4.67 -0.07 1.99 0.04 -1.26 -0.40 135.00 138.69 2g5m s PRO 7 Ca 0.12 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.92 2g5m s PRO 7 Cb -0.10 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.23 2g5m s PRO 7 CO 0.03 0.24 -0.11 0.08 0.04 0.00 0.00 177.00 177.28 2g5m s VAL 8 N -1.00 1.03 -0.18 -0.36 1.01 0.36 -4.91 120.40 116.35 2g5m s VAL 8 Ca 0.45 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 2g5m s VAL 8 Cb -0.30 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 2g5m s VAL 8 CO 0.38 0.33 -0.12 -0.70 0.00 0.00 0.00 175.10 175.00 2g5m s GLU 9 N 0.80 3.26 0.19 2.72 2.12 -1.26 -0.03 118.70 126.50 2g5m s GLU 9 Ca -0.12 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 54.53 2g5m s GLU 9 Cb -0.15 -2.76 -0.05 0.00 0.26 0.00 0.00 34.13 31.43 2g5m s GLU 9 CO 0.02 -0.07 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.14 2g5m s LEU 10 N 1.06 2.22 -0.03 2.70 1.43 -1.15 -4.92 118.68 119.99 2g5m s LEU 10 Ca -0.00 -1.16 0.06 0.00 -1.03 0.00 0.00 54.13 51.99 2g5m s LEU 10 Cb -0.15 -0.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.88 2g5m s LEU 10 CO -0.03 -0.51 -0.21 -1.61 0.23 0.00 0.00 176.35 174.23 2g5m s GLU 11 N -3.87 1.93 0.75 1.70 2.02 -1.26 -3.09 118.70 116.88 2g5m s GLU 11 Ca 0.24 -0.75 -0.11 0.00 0.02 0.00 0.00 54.97 54.38 2g5m s GLU 11 Cb 0.05 -1.74 0.04 0.00 0.10 0.00 0.00 34.13 32.58 2g5m s GLU 11 CO 0.05 0.37 1.08 -1.59 0.02 0.00 0.00 175.26 175.19 2g5m s LYS 12 N -0.26 2.49 0.00 1.61 -2.85 -0.85 -4.68 119.74 115.20 2g5m s LYS 12 Ca 0.02 0.79 0.00 0.00 -1.00 0.00 0.00 55.97 55.78 2g5m s LYS 12 Cb -0.10 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 2g5m s LYS 12 CO 0.01 -1.37 0.00 -0.40 0.10 0.00 0.00 175.35 173.69 2g5m n ASP 13 N -3.29 0.52 0.28 0.03 5.75 -0.18 -4.98 116.55 114.68 2g5m n ASP 13 Ca 0.07 -0.61 0.16 0.00 -0.01 0.00 0.00 54.79 54.40 2g5m n ASP 13 Cb 0.55 0.00 0.77 0.00 -1.03 0.00 0.00 41.12 41.41 2g5m n ASP 13 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2g5m h SER 14 N 0.00 0.00 -0.06 -1.12 0.02 -1.97 0.64 113.55 111.06 2g5m h SER 14 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2g5m h SER 14 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2g5m h SER 14 CO 0.00 0.08 0.00 1.21 -1.14 0.00 0.00 176.83 176.98 2g5m n GLU 15 N -3.33 1.43 0.00 3.45 4.07 -1.26 -4.96 120.64 120.04 2g5m n GLU 15 Ca -0.01 -0.64 0.00 0.00 -0.06 0.00 0.00 57.16 56.45 2g5m n GLU 15 Cb 0.25 -1.41 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 2g5m n GLU 15 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2g5m n GLY 16 N 1.05 1.81 3.15 8.31 0.00 0.22 -4.64 105.19 115.08 2g5m n GLY 16 Ca 0.18 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 2g5m n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g5m s LEU 17 N 0.00 1.93 -0.60 0.99 2.01 -1.26 -1.02 118.68 120.73 2g5m s LEU 17 Ca 0.00 -0.39 -0.06 0.00 0.01 0.00 0.00 54.13 53.68 2g5m s LEU 17 Cb 0.00 -1.06 -0.12 0.00 0.01 0.00 0.00 46.19 45.02 2g5m s LEU 17 CO 0.00 0.15 3.16 0.61 1.01 0.00 0.00 176.35 181.29 2g5m n GLY 18 N 3.23 3.81 3.83 -3.19 0.00 -1.26 -4.73 105.19 106.87 2g5m n GLY 18 Ca -0.19 -1.51 -0.07 0.00 0.00 0.00 0.00 46.02 44.25 2g5m n GLY 18 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2g5m s ILE 19 N 0.31 0.00 -0.01 -0.61 -4.36 -1.26 -1.14 121.20 114.13 2g5m s ILE 19 Ca 0.64 -0.91 -0.05 0.00 -0.26 0.00 0.00 60.65 60.08 2g5m s ILE 19 Cb 0.29 -2.66 0.00 0.00 1.25 0.00 0.00 42.46 41.34 2g5m s ILE 19 CO -0.07 0.00 0.10 -0.44 0.24 0.00 0.00 174.94 174.77 2g5m s SER 20 N -3.09 0.01 0.31 4.36 0.01 0.12 -4.64 113.70 110.76 2g5m s SER 20 Ca 0.15 -0.09 0.09 0.00 1.31 0.00 0.00 55.95 57.42 2g5m s SER 20 Cb -0.05 0.20 -0.05 0.00 0.21 0.00 0.00 66.02 66.34 2g5m s SER 20 CO 0.09 -0.24 0.01 0.27 0.41 0.00 0.00 173.24 173.79 2g5m s ILE 21 N -0.85 3.02 -0.01 1.44 -4.36 -1.26 0.61 121.20 119.79 2g5m s ILE 21 Ca -0.09 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 2g5m s ILE 21 Cb -0.05 -2.81 0.00 0.00 1.25 0.00 0.00 42.46 40.85 2g5m s ILE 21 CO 0.01 -0.28 -0.02 -0.51 0.24 0.00 0.00 174.94 174.37 2g5m s ILE 22 N -2.42 0.21 -0.48 8.37 1.10 0.11 -4.53 121.20 123.55 2g5m s ILE 22 Ca 0.34 -0.08 -0.23 0.00 -0.51 0.00 0.00 60.65 60.16 2g5m s ILE 22 Cb -0.03 -0.20 0.03 0.00 0.15 0.00 0.00 42.46 42.41 2g5m s ILE 22 CO 0.20 0.07 0.80 -0.83 -2.11 0.00 0.00 174.94 173.08 2g5m s GLY 23 N 0.11 1.57 0.10 1.50 0.00 -1.26 -1.84 107.32 107.50 2g5m s GLY 23 Ca -0.01 -1.13 0.08 0.00 0.00 0.00 0.00 44.72 43.67 2g5m s GLY 23 CO -0.00 1.82 -0.22 1.06 0.00 0.00 0.00 173.10 175.75 2g5m s MET 24 N 3.38 1.20 0.00 2.90 -1.94 -0.58 -5.00 119.30 119.26 2g5m s MET 24 Ca 0.28 -1.16 0.00 0.00 -1.71 0.00 0.00 55.69 53.10 2g5m s MET 24 Cb -0.13 -1.47 0.00 0.00 2.01 0.00 0.00 34.83 35.24 2g5m s MET 24 CO 0.21 0.35 0.00 0.41 -0.01 0.00 0.00 175.02 175.98 2g5m n GLY 25 N 1.16 3.23 3.57 -0.03 0.00 -1.26 0.02 105.19 111.87 2g5m n GLY 25 Ca -0.19 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 43.98 2g5m n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g5m s ALA 26 N -2.04 -1.97 0.00 4.61 0.00 -1.22 -4.94 121.76 116.20 2g5m s ALA 26 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2g5m s ALA 26 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2g5m s ALA 26 CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2g5m n GLY 27 N -0.21 0.44 3.56 0.00 0.00 -1.26 -4.83 105.19 102.88 2g5m n GLY 27 Ca -0.04 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 2g5m n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g5m s ALA 28 N -1.00 2.34 -1.45 4.61 0.00 -1.26 -4.74 121.76 120.25 2g5m s ALA 28 Ca 0.00 -0.67 0.21 0.00 0.00 0.00 0.00 51.96 51.50 2g5m s ALA 28 Cb 0.00 -4.26 -0.13 0.00 0.00 0.00 0.00 23.12 18.73 2g5m s ALA 28 CO 0.00 -3.66 0.97 -3.47 0.00 0.00 0.00 175.76 169.60 2g5m n ASP 29 N 11.92 1.46 0.01 0.00 2.03 -1.26 -0.55 116.55 130.16 2g5m n ASP 29 Ca 0.18 -1.23 0.04 0.00 0.52 0.00 0.00 54.79 54.30 2g5m n ASP 29 Cb 0.51 0.76 0.43 0.00 -0.72 0.00 0.00 41.12 42.10 2g5m n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2g5m h MET 30 N 1.12 0.53 0.00 -0.67 -0.00 -2.01 -3.38 114.93 110.52 2g5m h MET 30 Ca 0.00 -0.03 -0.14 0.00 -0.00 0.00 0.00 59.70 59.52 2g5m h MET 30 Cb 0.61 -0.12 -0.12 0.00 -0.00 0.00 0.00 31.60 31.97 2g5m h MET 30 CO 0.00 0.35 -0.06 0.41 -0.00 0.00 0.00 176.91 177.61 2g5m n GLY 31 N -1.46 -0.50 0.92 -3.00 0.00 -1.26 -4.98 105.19 94.90 2g5m n GLY 31 Ca 0.03 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2g5m n GLY 31 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2g5m n LEU 32 N 0.07 -0.29 -3.40 0.99 7.94 -1.25 -5.08 117.00 115.98 2g5m n LEU 32 Ca -0.08 0.10 -0.13 0.00 -1.11 0.00 0.00 56.01 54.79 2g5m n LEU 32 Cb 0.73 0.50 0.01 0.00 0.53 0.00 0.00 43.42 45.19 2g5m n LEU 32 CO -0.07 -0.17 0.08 -1.84 -1.11 0.00 0.00 177.39 174.28 2g5m n GLU 33 N -2.37 -1.41 -2.51 1.96 0.28 0.29 -4.82 120.64 112.06 2g5m n GLU 33 Ca 0.00 1.10 -0.41 0.00 -0.16 0.00 0.00 57.16 57.69 2g5m n GLU 33 Cb 0.00 -4.33 -0.03 0.00 1.43 0.00 0.00 31.44 28.51 2g5m n GLU 33 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2g5m s LYS 34 N -4.06 3.25 0.18 3.44 -2.85 -1.22 -4.25 119.74 114.23 2g5m s LYS 34 Ca 0.06 -0.01 0.01 0.00 -1.00 0.00 0.00 55.97 55.03 2g5m s LYS 34 Cb -0.02 -4.15 -0.05 0.00 -2.06 0.00 0.00 37.83 31.56 2g5m s LYS 34 CO 0.82 -2.05 0.02 -1.17 0.10 0.00 0.00 175.35 173.07 2g5m s LEU 35 N 5.77 1.99 -0.05 2.77 2.96 -1.26 -3.45 118.68 127.41 2g5m s LEU 35 Ca 0.40 -1.21 -0.02 0.00 -0.22 0.00 0.00 54.13 53.08 2g5m s LEU 35 Cb -0.08 -0.00 0.03 0.00 0.50 0.00 0.00 46.19 46.63 2g5m s LEU 35 CO 0.19 -0.61 0.05 -0.83 -1.32 0.00 0.00 176.35 173.82 2g5m s GLY 36 N -3.18 0.27 -0.88 7.98 0.00 0.10 -4.16 107.32 107.45 2g5m s GLY 36 Ca 0.26 0.12 -0.15 0.00 0.00 0.00 0.00 44.72 44.95 2g5m s GLY 36 CO 0.05 1.31 0.90 -0.42 0.00 0.00 0.00 173.10 174.94 2g5m s ILE 37 N 2.08 5.38 0.74 0.90 -1.09 -1.26 -1.53 121.20 126.43 2g5m s ILE 37 Ca 0.04 -2.29 -0.08 0.00 -2.23 0.00 0.00 60.65 56.10 2g5m s ILE 37 Cb -0.12 -4.57 0.08 0.00 -1.58 0.00 0.00 42.46 36.26 2g5m s ILE 37 CO -0.03 -1.19 1.07 -0.36 -1.23 0.00 0.00 174.94 173.20 2g5m s PHE 38 N 0.81 2.77 0.38 3.97 0.08 -0.77 -3.44 117.98 121.79 2g5m s PHE 38 Ca 0.23 0.46 -0.25 0.00 0.12 0.00 0.00 56.93 57.49 2g5m s PHE 38 Cb -0.08 -3.31 -0.09 0.00 -0.57 0.00 0.00 43.02 38.97 2g5m s PHE 38 CO -0.09 -1.58 1.04 0.08 -0.10 0.00 0.00 175.22 174.57 2g5m s VAL 39 N -3.35 3.77 -0.20 -0.44 1.01 0.12 0.05 120.40 121.37 2g5m s VAL 39 Ca 0.62 1.41 -0.00 0.00 0.00 0.00 0.00 61.98 64.01 2g5m s VAL 39 Cb -0.10 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 2g5m s VAL 39 CO 0.46 0.06 -0.18 1.17 0.00 0.00 0.00 175.10 176.60 2g5m n LYS 40 N 0.14 0.48 -3.65 2.72 0.00 0.20 -4.58 118.16 113.47 2g5m n LYS 40 Ca 0.04 0.12 -0.10 0.00 0.00 0.00 0.00 58.31 58.37 2g5m n LYS 40 Cb 0.49 -1.37 -0.03 0.00 0.00 0.00 0.00 35.03 34.13 2g5m n LYS 40 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2g5m s THR 41 N -2.39 0.01 -0.44 3.15 -1.32 -0.97 -4.96 115.64 108.72 2g5m s THR 41 Ca -0.26 -0.53 0.03 0.00 -1.21 0.00 0.00 61.69 59.71 2g5m s THR 41 Cb 0.07 -1.46 0.12 0.00 -1.51 0.00 0.00 72.50 69.72 2g5m s THR 41 CO 0.44 -0.05 0.18 -0.69 -2.21 0.00 0.00 174.62 172.29 2g5m s VAL 42 N -3.84 2.58 0.00 5.08 1.01 -1.26 -0.71 120.40 123.27 2g5m s VAL 42 Ca 0.06 -2.78 -0.30 0.00 0.00 0.00 0.00 61.98 58.96 2g5m s VAL 42 Cb -0.02 -2.83 -0.07 0.00 0.00 0.00 0.00 36.38 33.46 2g5m s VAL 42 CO -0.04 -0.71 1.77 -0.89 0.00 0.00 0.00 175.10 175.22 2g5m s THR 43 N 0.35 3.27 -0.07 3.92 2.01 -0.29 -4.76 115.64 120.07 2g5m s THR 43 Ca 0.14 0.42 0.31 0.00 0.31 0.00 0.00 61.69 62.86 2g5m s THR 43 Cb -0.22 -3.27 0.35 0.00 0.01 0.00 0.00 72.50 69.36 2g5m s THR 43 CO -0.04 -0.03 1.91 1.05 -0.69 0.00 0.00 174.62 176.82 2g5m h GLU 44 N 9.66 0.00 0.00 4.92 4.11 -1.96 -2.04 114.58 129.27 2g5m h GLU 44 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2g5m h GLU 44 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2g5m h GLU 44 CO 0.94 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.43 2g5m n GLY 45 N -0.04 -1.36 3.74 1.06 0.00 -1.26 -4.73 105.19 102.59 2g5m n GLY 45 Ca 0.01 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2g5m n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2g5m s GLY 46 N -3.21 2.49 0.43 -0.02 0.00 -0.77 -4.76 107.32 101.49 2g5m s GLY 46 Ca 0.10 -1.76 0.20 0.00 0.00 0.00 0.00 44.72 43.25 2g5m s GLY 46 CO 0.45 -2.00 1.90 0.00 0.00 0.00 0.00 173.10 173.44 2g5m h ALA 47 N 1.40 1.27 -0.63 3.20 0.00 -1.85 -3.16 119.26 119.49 2g5m h ALA 47 Ca -0.43 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 2g5m h ALA 47 Cb 1.27 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2g5m h ALA 47 CO 0.71 0.33 0.22 0.00 0.00 0.00 0.00 179.25 180.51 2g5m h ALA 48 N 1.74 0.82 -0.26 0.00 0.00 -1.83 0.27 119.26 119.99 2g5m h ALA 48 Ca -0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 2g5m h ALA 48 Cb 0.58 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2g5m h ALA 48 CO 0.03 0.47 -0.51 1.25 0.00 0.00 0.00 179.25 180.50 2g5m h HIS 49 N 0.89 0.90 -0.08 0.00 6.17 -1.56 0.04 115.15 121.51 2g5m h HIS 49 Ca 0.20 -0.31 -0.17 0.00 0.71 0.00 0.00 60.37 60.81 2g5m h HIS 49 Cb 0.26 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.00 2g5m h HIS 49 CO 0.02 1.08 -0.66 0.00 0.71 0.00 0.00 177.93 179.08 2g5m h ARG 50 N 0.57 0.34 0.06 5.26 3.08 -1.48 -3.18 114.38 119.03 2g5m h ARG 50 Ca 0.02 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 2g5m h ARG 50 Cb 1.08 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2g5m h ARG 50 CO 0.11 0.88 -0.03 0.22 -1.07 0.00 0.00 179.97 180.08 2g5m h ASP 51 N 0.24 -0.07 0.00 7.04 1.82 -0.41 -3.49 116.42 121.55 2g5m h ASP 51 Ca -0.02 -0.56 0.00 0.00 -0.39 0.00 0.00 57.03 56.06 2g5m h ASP 51 Cb 1.21 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.23 2g5m h ASP 51 CO 0.11 0.63 0.00 0.61 -1.61 0.00 0.00 179.24 178.98 2g5m n GLY 52 N 1.05 1.71 0.00 -0.78 0.00 -0.01 -5.06 105.19 102.10 2g5m n GLY 52 Ca -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2g5m n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g5m n ARG 53 N -1.04 0.00 -2.04 1.61 5.12 -1.20 -4.88 116.66 114.22 2g5m n ARG 53 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 2g5m n ARG 53 Cb 0.08 -0.21 -0.03 0.00 -1.16 0.00 0.00 32.46 31.14 2g5m n ARG 53 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2g5m s ILE 54 N 0.00 3.27 0.28 0.55 1.01 -1.26 -5.01 121.20 120.04 2g5m s ILE 54 Ca 0.00 0.72 0.07 0.00 0.00 0.00 0.00 60.65 61.43 2g5m s ILE 54 Cb 0.00 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2g5m s ILE 54 CO 0.00 0.00 0.27 -1.10 0.00 0.00 0.00 174.94 174.11 2g5m s GLN 55 N 2.46 2.99 0.62 2.79 -0.21 -1.26 -4.79 119.66 122.25 2g5m s GLN 55 Ca 0.70 -1.05 0.39 0.00 0.02 0.00 0.00 55.36 55.41 2g5m s GLN 55 Cb -0.37 -2.62 2.05 0.00 1.00 0.00 0.00 33.01 33.07 2g5m s GLN 55 CO 0.30 0.31 2.25 -0.24 -2.12 0.00 0.00 175.29 175.79 2g5m h VAL 56 N 1.33 0.14 0.00 1.09 3.04 -1.92 -2.21 116.25 117.72 2g5m h VAL 56 Ca -0.48 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 65.04 2g5m h VAL 56 Cb 1.24 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 2g5m h VAL 56 CO 0.60 0.02 -0.20 -3.20 -1.01 0.00 0.00 177.57 173.77 2g5m n ASN 57 N -3.26 1.94 -4.89 3.17 2.85 -1.26 -4.16 115.26 109.65 2g5m n ASN 57 Ca -0.02 -3.14 -0.24 0.00 -0.11 0.00 0.00 54.58 51.07 2g5m n ASN 57 Cb 0.13 -0.43 0.07 0.00 1.24 0.00 0.00 39.78 40.79 2g5m n ASN 57 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2g5m s ASP 58 N -2.75 4.85 -0.05 1.20 1.01 -0.83 -4.67 116.67 115.43 2g5m s ASP 58 Ca 0.30 0.25 0.02 0.00 0.71 0.00 0.00 52.55 53.83 2g5m s ASP 58 Cb 0.28 -0.92 0.01 0.00 1.01 0.00 0.00 42.92 43.30 2g5m s ASP 58 CO -0.00 -1.53 -0.08 -0.22 0.21 0.00 0.00 175.17 173.55 2g5m s LEU 59 N -5.12 1.54 -0.85 1.23 2.96 -1.26 -0.70 118.68 116.47 2g5m s LEU 59 Ca 0.60 -0.20 -0.23 0.00 -0.22 0.00 0.00 54.13 54.08 2g5m s LEU 59 Cb -0.10 -0.59 0.06 0.00 0.50 0.00 0.00 46.19 46.06 2g5m s LEU 59 CO 0.43 0.00 1.25 -0.76 -1.32 0.00 0.00 176.35 175.95 2g5m s LEU 60 N 0.66 3.83 0.08 -0.68 1.43 -1.22 -2.10 118.68 120.68 2g5m s LEU 60 Ca -0.11 -1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 51.69 2g5m s LEU 60 Cb -0.14 -2.51 -0.18 0.00 0.03 0.00 0.00 46.19 43.40 2g5m s LEU 60 CO 0.01 -1.52 1.26 0.58 0.23 0.00 0.00 176.35 176.91 2g5m h VAL 61 N 6.24 1.30 -1.97 -1.59 2.07 -1.68 -3.45 116.25 117.17 2g5m h VAL 61 Ca -0.05 -1.99 -0.05 0.00 0.82 0.00 0.00 66.70 65.43 2g5m h VAL 61 Cb 1.04 2.12 -0.19 0.00 -1.52 0.00 0.00 31.29 32.74 2g5m h VAL 61 CO 1.28 0.62 0.21 -1.83 0.02 0.00 0.00 177.57 177.87 2g5m s GLU 62 N -3.63 1.02 0.59 1.57 -1.05 -1.05 -0.68 118.70 115.47 2g5m s GLU 62 Ca -0.11 0.28 0.07 0.00 -0.15 0.00 0.00 54.97 55.06 2g5m s GLU 62 Cb 0.07 0.48 0.10 0.00 -0.44 0.00 0.00 34.13 34.35 2g5m s GLU 62 CO 0.89 -0.31 0.81 1.55 0.95 0.00 0.00 175.26 179.15 2g5m n VAL 63 N 0.96 0.00 0.02 1.83 3.14 0.65 -0.47 118.33 124.45 2g5m n VAL 63 Ca -0.18 -1.77 -0.10 0.00 -2.96 0.00 0.00 64.34 59.32 2g5m n VAL 63 Cb 0.57 -0.62 -0.03 0.00 -1.06 0.00 0.00 33.84 32.69 2g5m n VAL 63 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2g5m h ASP 64 N -0.06 -0.70 -0.02 6.55 3.58 -1.76 -3.22 116.42 120.79 2g5m h ASP 64 Ca -0.27 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2g5m h ASP 64 Cb 1.19 0.31 0.00 0.00 1.72 0.00 0.00 39.33 42.54 2g5m h ASP 64 CO 0.36 -0.28 -0.13 0.61 -2.88 0.00 0.00 179.24 176.92 2g5m n GLY 65 N -1.36 0.20 2.92 -0.78 0.00 -1.26 -4.96 105.19 99.96 2g5m n GLY 65 Ca -0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 2g5m n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2g5m s THR 66 N -1.65 -0.03 0.30 2.61 2.01 -1.22 -5.14 115.64 112.51 2g5m s THR 66 Ca 0.18 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 2g5m s THR 66 Cb 0.14 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.42 2g5m s THR 66 CO 0.30 0.05 0.52 -0.55 -0.69 0.00 0.00 174.62 174.25 2g5m s SER 67 N 0.80 6.36 -0.23 3.53 0.15 -1.26 -0.25 113.70 122.79 2g5m s SER 67 Ca -0.06 0.53 0.01 0.00 0.70 0.00 0.00 55.95 57.12 2g5m s SER 67 Cb -0.08 -2.06 0.03 0.00 -1.71 0.00 0.00 66.02 62.20 2g5m s SER 67 CO -0.04 -0.21 -0.12 -0.76 1.20 0.00 0.00 173.24 173.31 2g5m s LEU 68 N -3.87 2.92 0.02 3.45 2.01 0.14 -4.89 118.68 118.47 2g5m s LEU 68 Ca 0.41 -0.96 0.22 0.00 0.01 0.00 0.00 54.13 53.81 2g5m s LEU 68 Cb -0.10 -1.57 -0.26 0.00 0.01 0.00 0.00 46.19 44.27 2g5m s LEU 68 CO 0.33 -0.10 0.61 0.55 1.01 0.00 0.00 176.35 178.74 2g5m n VAL 69 N 4.58 0.19 0.00 -1.59 3.14 -1.26 -4.73 118.33 118.66 2g5m n VAL 69 Ca -0.17 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 60.69 2g5m n VAL 69 Cb 0.46 -0.10 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 2g5m n VAL 69 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2g5m n GLY 70 N 1.25 0.43 3.55 7.55 0.00 -1.26 -4.35 105.19 112.37 2g5m n GLY 70 Ca -0.04 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 2g5m n GLY 70 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2g5m n VAL 71 N 0.00 0.00 -1.63 1.61 0.24 -1.26 -4.53 118.33 112.76 2g5m n VAL 71 Ca 0.00 -2.02 -0.31 0.00 -2.04 0.00 0.00 64.34 59.97 2g5m n VAL 71 Cb 0.00 -0.07 0.04 0.00 -1.47 0.00 0.00 33.84 32.34 2g5m n VAL 71 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2g5m s THR 72 N -2.54 4.05 0.39 3.34 -4.23 -1.26 -4.76 115.64 110.64 2g5m s THR 72 Ca 0.30 0.69 0.08 0.00 -1.18 0.00 0.00 61.69 61.58 2g5m s THR 72 Cb -0.02 -3.43 0.21 0.00 1.34 0.00 0.00 72.50 70.60 2g5m s THR 72 CO 0.19 -0.85 1.98 -0.61 -0.54 0.00 0.00 174.62 174.79 2g5m h GLN 73 N -0.60 0.42 -0.12 3.99 4.15 -1.96 -0.81 115.11 120.18 2g5m h GLN 73 Ca -0.44 -0.06 -0.20 0.00 0.77 0.00 0.00 58.65 58.72 2g5m h GLN 73 Cb 1.21 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2g5m h GLN 73 CO 0.57 0.39 -0.73 0.77 -1.93 0.00 0.00 178.83 177.90 2g5m h SER 74 N 0.42 0.71 -0.33 -0.69 0.02 -1.98 -1.19 113.55 110.50 2g5m h SER 74 Ca 0.10 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2g5m h SER 74 Cb 0.16 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2g5m h SER 74 CO -0.00 1.22 0.16 0.15 -1.14 0.00 0.00 176.83 177.22 2g5m h PHE 75 N 0.41 0.48 -0.64 3.45 3.04 -1.69 -1.11 116.94 120.89 2g5m h PHE 75 Ca -0.04 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 2g5m h PHE 75 Cb 1.33 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.66 2g5m h PHE 75 CO 0.06 0.42 0.29 0.00 -2.02 0.00 0.00 178.31 177.07 2g5m h ALA 76 N 1.01 0.83 -0.09 2.41 0.00 -1.14 -0.35 119.26 121.92 2g5m h ALA 76 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2g5m h ALA 76 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2g5m h ALA 76 CO -0.01 0.40 -0.04 0.00 0.00 0.00 0.00 179.25 179.60 2g5m h ALA 77 N 1.13 1.76 -0.01 0.00 0.00 -0.85 -0.55 119.26 120.74 2g5m h ALA 77 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2g5m h ALA 77 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2g5m h ALA 77 CO -0.03 0.18 -0.25 0.45 0.00 0.00 0.00 179.25 179.60 2g5m n SER 78 N -4.41 1.06 0.09 0.00 2.88 -0.45 -3.90 113.62 108.89 2g5m n SER 78 Ca -0.02 -0.92 -0.07 0.00 -1.33 0.00 0.00 58.87 56.53 2g5m n SER 78 Cb 0.17 0.14 -0.00 0.00 -0.75 0.00 0.00 64.21 63.76 2g5m n SER 78 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2g5m h VAL 79 N 1.27 1.52 -0.04 2.46 3.04 0.62 -2.02 116.25 123.10 2g5m h VAL 79 Ca 0.00 -2.69 -0.09 0.00 -1.01 0.00 0.00 66.70 62.91 2g5m h VAL 79 Cb 0.51 2.49 -0.01 0.00 -2.01 0.00 0.00 31.29 32.27 2g5m h VAL 79 CO 0.00 0.78 -0.38 -0.07 -1.01 0.00 0.00 177.57 176.89 2g5m h LEU 80 N 0.07 0.08 -0.05 3.16 -0.00 -1.68 -2.38 115.31 114.53 2g5m h LEU 80 Ca -0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2g5m h LEU 80 Cb 1.50 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.14 2g5m h LEU 80 CO 0.13 0.46 -0.08 0.54 -0.00 0.00 0.00 178.44 179.48 2g5m n ARG 81 N -4.08 0.27 0.04 1.13 1.74 -0.94 -2.75 116.66 112.09 2g5m n ARG 81 Ca -0.02 -0.05 0.05 0.00 -0.77 0.00 0.00 57.85 57.07 2g5m n ARG 81 Cb 0.43 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.30 2g5m n ARG 81 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2g5m n ASN 82 N -1.32 0.68 -4.54 0.55 5.15 -0.80 -4.93 115.26 110.04 2g5m n ASN 82 Ca 0.11 0.28 -0.19 0.00 -0.60 0.00 0.00 54.58 54.18 2g5m n ASN 82 Cb 0.30 0.58 0.08 0.00 -0.53 0.00 0.00 39.78 40.21 2g5m n ASN 82 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2g5m n THR 83 N -2.71 0.00 -0.64 -0.44 -2.24 -1.11 -5.05 114.28 102.09 2g5m n THR 83 Ca -0.07 -1.64 -0.05 0.00 -2.27 0.00 0.00 64.05 60.02 2g5m n THR 83 Cb 0.72 -0.69 0.04 0.00 -2.10 0.00 0.00 70.33 68.30 2g5m n THR 83 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2g5m n LYS 84 N -2.32 -1.23 0.09 -0.78 4.76 -1.26 -4.98 118.16 112.44 2g5m n LYS 84 Ca 0.15 -0.28 -0.16 0.00 -2.87 0.00 0.00 58.31 55.15 2g5m n LYS 84 Cb 0.54 -0.26 -0.10 0.00 -1.84 0.00 0.00 35.03 33.37 2g5m n LYS 84 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2g5m h GLY 85 N -0.80 0.40 -6.65 0.72 0.00 -1.94 -3.42 103.07 91.37 2g5m h GLY 85 Ca -0.07 -0.87 -0.63 0.00 0.00 0.00 0.00 47.33 45.77 2g5m h GLY 85 CO 0.04 0.76 -0.83 -1.60 0.00 0.00 0.00 176.54 174.92 2g5m s ARG 86 N -2.89 2.35 0.10 4.80 3.52 -1.26 -2.01 118.95 123.55 2g5m s ARG 86 Ca -0.05 -0.78 -0.10 0.00 -0.13 0.00 0.00 55.73 54.67 2g5m s ARG 86 Cb 0.07 -2.37 0.01 0.00 -1.56 0.00 0.00 34.95 31.10 2g5m s ARG 86 CO 0.88 -0.32 0.24 0.14 -0.81 0.00 0.00 175.30 175.43 2g5m s VAL 87 N 1.38 0.13 -0.15 7.11 -7.23 -1.18 -5.02 120.40 115.44 2g5m s VAL 87 Ca 0.02 -1.04 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 2g5m s VAL 87 Cb -0.15 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 2g5m s VAL 87 CO -0.10 -0.57 0.07 -0.13 -0.31 0.00 0.00 175.10 174.05 2g5m s ARG 88 N -3.85 3.67 0.36 4.82 0.52 -1.26 -2.92 118.95 120.29 2g5m s ARG 88 Ca 0.04 -0.31 0.08 0.00 -0.52 0.00 0.00 55.73 55.03 2g5m s ARG 88 Cb 0.04 -3.13 -0.05 0.00 0.52 0.00 0.00 34.95 32.34 2g5m s ARG 88 CO -0.11 0.47 0.13 -0.06 0.02 0.00 0.00 175.30 175.75 2g5m s PHE 89 N -0.19 2.65 -0.28 -0.53 0.08 0.95 -1.99 117.98 118.68 2g5m s PHE 89 Ca 0.08 -0.45 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 2g5m s PHE 89 Cb -0.12 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2g5m s PHE 89 CO 0.01 0.32 0.02 -1.64 -0.10 0.00 0.00 175.22 173.82 2g5m s MET 90 N -3.84 2.93 -0.18 0.44 -1.94 0.38 -0.49 119.30 116.60 2g5m s MET 90 Ca 0.38 -0.94 -0.12 0.00 -1.71 0.00 0.00 55.69 53.30 2g5m s MET 90 Cb -0.00 -3.20 -0.05 0.00 2.01 0.00 0.00 34.83 33.59 2g5m s MET 90 CO 0.22 -0.44 0.23 0.42 -0.01 0.00 0.00 175.02 175.43 2g5m s ILE 91 N 1.41 5.35 -0.44 2.53 1.09 0.47 -1.76 121.20 129.84 2g5m s ILE 91 Ca 0.01 0.40 0.03 0.00 -1.10 0.00 0.00 60.65 59.99 2g5m s ILE 91 Cb -0.17 -3.57 0.12 0.00 -1.06 0.00 0.00 42.46 37.78 2g5m s ILE 91 CO -0.01 0.41 0.18 -0.83 -0.10 0.00 0.00 174.94 174.59 2g5m s GLY 92 N 0.43 2.20 -0.13 6.18 0.00 -0.89 -0.50 107.32 114.61 2g5m s GLY 92 Ca 0.13 -2.89 -0.25 0.00 0.00 0.00 0.00 44.72 41.71 2g5m s GLY 92 CO 0.01 0.99 0.79 -1.60 0.00 0.00 0.00 173.10 173.30 2g5m s ARG 93 N 0.37 4.35 -0.96 2.90 3.52 -0.45 -4.11 118.95 124.57 2g5m s ARG 93 Ca 0.14 0.99 -0.20 0.00 -0.13 0.00 0.00 55.73 56.53 2g5m s ARG 93 Cb -0.22 -3.53 0.11 0.00 -1.56 0.00 0.00 34.95 29.75 2g5m s ARG 93 CO -0.04 -0.19 1.21 -2.00 -0.81 0.00 0.00 175.30 173.47 2g5m s GLU 94 N 1.66 3.60 0.17 5.12 2.12 -1.26 -0.29 118.70 129.83 2g5m s GLU 94 Ca 0.39 -1.61 -0.26 0.00 0.36 0.00 0.00 54.97 53.85 2g5m s GLU 94 Cb -0.17 -5.03 0.01 0.00 0.26 0.00 0.00 34.13 29.19 2g5m s GLU 94 CO 0.15 -1.89 1.48 -2.13 -0.54 0.00 0.00 175.26 172.33 2g5m n ARG 95 N 7.14 -0.37 -2.28 4.30 0.63 -1.13 -4.38 116.66 120.58 2g5m n ARG 95 Ca 0.27 1.45 -0.41 0.00 -0.92 0.00 0.00 57.85 58.24 2g5m n ARG 95 Cb 0.50 -2.14 -0.03 0.00 0.45 0.00 0.00 32.46 31.23 2g5m n ARG 95 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2g5m s PRO 96 N -5.59 4.48 0.00 -0.14 0.04 -1.26 -3.91 135.00 128.61 2g5m s PRO 96 Ca -0.12 2.02 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2g5m s PRO 96 Cb 0.13 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2g5m s PRO 96 CO 0.62 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 178.03 2g5m n GLY 97 N 1.21 1.33 0.13 0.56 0.00 -1.26 -5.00 105.19 102.16 2g5m n GLY 97 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2g5m n GLY 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2g5m h GLU 98 N 0.27 0.40 0.00 1.61 4.11 -1.85 -3.41 114.58 115.71 2g5m h GLU 98 Ca 0.00 -0.68 0.00 0.00 0.07 0.00 0.00 59.36 58.75 2g5m h GLU 98 Cb 0.00 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2g5m h GLU 98 CO 0.00 1.33 -0.55 1.04 0.07 0.00 0.00 179.01 180.90 2g5m n GLN 99 N -3.84 0.42 -0.54 1.06 1.13 -1.26 -5.08 117.38 109.27 2g5m n GLN 99 Ca -0.19 0.44 0.07 0.00 -1.94 0.00 0.00 57.00 55.39 2g5m n GLN 99 Cb 0.99 -1.56 -0.02 0.00 0.11 0.00 0.00 30.24 29.76 2g5m n GLN 99 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2g5m n SER 100 N -4.38 -4.94 -3.50 1.08 7.64 -1.26 -4.52 113.62 103.73 2g5m n SER 100 Ca -0.08 0.58 -0.27 0.00 1.01 0.00 0.00 58.87 60.12 2g5m n SER 100 Cb 0.28 -1.74 -0.09 0.00 -1.01 0.00 0.00 64.21 61.66 2g5m n SER 100 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2g5m n GLU 101 N -2.26 2.28 -3.85 1.43 4.07 -1.26 -4.99 120.64 116.06 2g5m n GLU 101 Ca 0.00 -4.55 -0.30 0.00 -0.06 0.00 0.00 57.16 52.25 2g5m n GLU 101 Cb 0.25 -2.20 -0.15 0.00 -0.06 0.00 0.00 31.44 29.28 2g5m n GLU 101 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2g5m s VAL 102 N -2.19 1.57 -0.05 6.31 -7.23 -1.26 -4.93 120.40 112.63 2g5m s VAL 102 Ca 0.37 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 2g5m s VAL 102 Cb 0.11 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 2g5m s VAL 102 CO -0.05 -0.69 -0.12 0.00 -0.31 0.00 0.00 175.10 173.93 2g5m n ALA 103 N 4.31 2.36 -3.92 1.32 0.00 -1.26 -4.91 120.51 118.41 2g5m n ALA 103 Ca 0.02 -0.33 -0.30 0.00 0.00 0.00 0.00 53.44 52.83 2g5m n ALA 103 Cb 0.40 0.30 -0.14 0.00 0.00 0.00 0.00 19.45 20.00 2g5m n ALA 103 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2g5m s GLN 104 N -2.22 1.55 -1.32 0.00 -0.21 -1.26 -5.02 119.66 111.17 2g5m s GLN 104 Ca -0.11 -2.07 -0.17 0.00 0.02 0.00 0.00 55.36 53.02 2g5m s GLN 104 Cb 0.03 -2.99 0.04 0.00 1.00 0.00 0.00 33.01 31.10 2g5m s GLN 104 CO 0.15 -1.04 1.90 1.28 -2.12 0.00 0.00 175.29 175.46 2g5m n LEU 105 N 3.81 5.31 0.00 2.90 4.32 -1.26 -4.50 117.00 127.58 2g5m n LEU 105 Ca 0.04 -3.89 0.00 0.00 -0.02 0.00 0.00 56.01 52.14 2g5m n LEU 105 Cb 0.37 -1.70 0.00 0.00 -1.62 0.00 0.00 43.42 40.47 2g5m n LEU 105 CO 0.25 0.26 0.00 -0.38 -1.22 0.00 0.00 177.39 176.30 2g5m n ILE 106 N 6.13 0.00 -3.41 -0.08 2.08 -1.26 -5.05 119.36 117.77 2g5m n ILE 106 Ca 0.50 0.38 0.01 0.00 0.56 0.00 0.00 62.75 64.20 2g5m n ILE 106 Cb 0.44 -1.37 -0.03 0.00 -0.75 0.00 0.00 39.64 37.93 2g5m n ILE 106 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2g5m s GLN 107 N -0.83 0.57 -0.63 0.38 0.74 -1.26 -5.10 119.66 113.53 2g5m s GLN 107 Ca 0.00 1.23 -0.23 0.00 0.05 0.00 0.00 55.36 56.40 2g5m s GLN 107 Cb 0.00 0.71 0.06 0.00 1.10 0.00 0.00 33.01 34.87 2g5m s GLN 107 CO 0.00 -0.41 0.97 -0.65 -0.55 0.00 0.00 175.29 174.66 2g5m s GLN 108 N 2.87 3.19 0.29 1.67 -0.21 -1.26 -4.80 119.66 121.42 2g5m s GLN 108 Ca 0.07 -0.60 0.19 0.00 0.02 0.00 0.00 55.36 55.05 2g5m s GLN 108 Cb -0.13 -4.16 0.12 0.00 1.00 0.00 0.00 33.01 29.83 2g5m s GLN 108 CO -0.20 -1.72 1.37 0.00 -2.12 0.00 0.00 175.29 172.62 2g5m h THR 109 N 5.99 0.42 -3.32 -0.19 1.03 -2.02 -3.38 112.91 111.45 2g5m h THR 109 Ca -0.28 -1.63 -0.75 0.00 -0.01 0.00 0.00 66.41 63.74 2g5m h THR 109 Cb 1.07 2.11 -0.23 0.00 -1.07 0.00 0.00 68.15 70.03 2g5m h THR 109 CO 1.15 0.24 0.29 -0.76 -0.01 0.00 0.00 175.52 176.43 2g5m s LEU 110 N -6.15 6.15 -0.21 0.00 1.43 -1.26 -5.00 118.68 113.65 2g5m s LEU 110 Ca 0.04 -2.37 -0.29 0.00 -1.03 0.00 0.00 54.13 50.48 2g5m s LEU 110 Cb 0.07 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2g5m s LEU 110 CO 0.73 -0.77 1.62 -1.61 0.23 0.00 0.00 176.35 176.56 2g5m s GLU 111 N 1.13 3.82 -0.04 1.70 2.02 -1.26 -4.82 118.70 121.25 2g5m s GLU 111 Ca 0.21 1.70 -0.07 0.00 0.02 0.00 0.00 54.97 56.83 2g5m s GLU 111 Cb -0.11 -4.03 -0.03 0.00 0.10 0.00 0.00 34.13 30.06 2g5m s GLU 111 CO -0.07 -1.26 -0.14 0.94 0.02 0.00 0.00 175.26 174.74 2g5m n GLN 112 N 7.62 0.22 0.00 1.61 7.27 -1.26 -5.24 117.38 127.61 2g5m n GLN 112 Ca 0.19 0.09 0.14 0.00 0.07 0.00 0.00 57.00 57.49 2g5m n GLN 112 Cb 0.45 -0.89 0.58 0.00 2.41 0.00 0.00 30.24 32.80 2g5m n GLN 112 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52