#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 0.88 -3.69 1.61 3.86 -2.04 -3.41 115.15 112.36 2g5m h HIS 2 Ca 0.00 -0.30 -0.57 0.00 -1.16 0.00 0.00 60.37 58.35 2g5m h HIS 2 Cb 0.00 -0.17 -0.32 0.00 1.06 0.00 0.00 27.41 27.98 2g5m h HIS 2 CO 0.00 1.07 -0.84 -1.64 0.86 0.00 0.00 177.93 177.38 2g5m s MET 3 N -4.19 1.94 -0.79 2.45 1.00 -1.26 -4.84 119.30 113.61 2g5m s MET 3 Ca -0.12 -0.59 -0.17 0.00 0.00 0.00 0.00 55.69 54.80 2g5m s MET 3 Cb 0.08 -1.62 0.15 0.00 0.00 0.00 0.00 34.83 33.44 2g5m s MET 3 CO 0.84 0.18 0.88 -1.21 0.00 0.00 0.00 175.02 175.71 2g5m s GLU 4 N 0.25 3.42 -0.83 2.03 2.02 -1.04 -4.87 118.70 119.68 2g5m s GLU 4 Ca -0.09 -1.82 -0.24 0.00 0.02 0.00 0.00 54.97 52.84 2g5m s GLU 4 Cb -0.14 -4.55 0.05 0.00 0.10 0.00 0.00 34.13 29.60 2g5m s GLU 4 CO 0.04 -1.56 1.26 -0.51 0.02 0.00 0.00 175.26 174.51 2g5m s LEU 5 N 1.95 3.69 0.04 1.80 2.01 -1.25 -0.76 118.68 126.16 2g5m s LEU 5 Ca 0.21 -1.03 0.09 0.00 0.01 0.00 0.00 54.13 53.41 2g5m s LEU 5 Cb -0.13 -2.52 -0.03 0.00 0.01 0.00 0.00 46.19 43.52 2g5m s LEU 5 CO -0.04 -1.58 -0.25 0.72 1.01 0.00 0.00 176.35 176.21 2g5m s PHE 6 N 4.87 2.35 0.06 0.29 -0.12 -0.32 -4.93 117.98 120.19 2g5m s PHE 6 Ca 0.36 -0.39 -0.31 0.00 -0.05 0.00 0.00 56.93 56.54 2g5m s PHE 6 Cb -0.07 -1.40 -0.06 0.00 -0.63 0.00 0.00 43.02 40.86 2g5m s PHE 6 CO 0.04 0.14 1.25 -1.25 -0.05 0.00 0.00 175.22 175.35 2g5m s PRO 7 N -1.25 4.39 -0.19 1.99 0.04 -1.25 -0.73 135.00 138.00 2g5m s PRO 7 Ca 0.12 1.85 -0.01 0.00 0.04 0.00 0.00 61.00 62.99 2g5m s PRO 7 Cb -0.10 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.09 2g5m s PRO 7 CO 0.02 -0.33 -0.11 0.08 0.04 0.00 0.00 177.00 176.70 2g5m s VAL 8 N 1.21 2.87 -0.15 -0.36 1.01 0.70 -4.91 120.40 120.77 2g5m s VAL 8 Ca 0.60 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 2g5m s VAL 8 Cb -0.31 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2g5m s VAL 8 CO 0.29 0.48 0.03 -0.70 0.00 0.00 0.00 175.10 175.20 2g5m s GLU 9 N 1.19 3.69 0.23 2.72 2.12 -1.26 -0.20 118.70 127.19 2g5m s GLU 9 Ca 0.02 -0.39 0.09 0.00 0.36 0.00 0.00 54.97 55.05 2g5m s GLU 9 Cb -0.14 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 2g5m s GLU 9 CO -0.04 0.37 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.71 2g5m s LEU 10 N 0.07 2.56 -0.07 2.70 0.20 -0.92 -4.88 118.68 118.34 2g5m s LEU 10 Ca 0.03 -1.02 0.01 0.00 0.69 0.00 0.00 54.13 53.84 2g5m s LEU 10 Cb -0.13 -0.84 0.02 0.00 -0.43 0.00 0.00 46.19 44.82 2g5m s LEU 10 CO 0.01 -0.09 -0.06 -1.83 -0.29 0.00 0.00 176.35 174.10 2g5m s GLU 11 N -3.56 1.16 0.63 1.98 -1.05 -1.26 -2.69 118.70 113.91 2g5m s GLU 11 Ca 0.25 -0.18 -0.17 0.00 -0.15 0.00 0.00 54.97 54.72 2g5m s GLU 11 Cb -0.03 -1.17 -0.02 0.00 -0.44 0.00 0.00 34.13 32.48 2g5m s GLU 11 CO 0.10 -0.14 1.18 -1.59 0.95 0.00 0.00 175.26 175.76 2g5m s LYS 12 N 1.22 2.81 0.56 -4.83 -2.85 -0.77 -4.77 119.74 111.12 2g5m s LYS 12 Ca -0.05 1.70 0.09 0.00 -1.00 0.00 0.00 55.97 56.70 2g5m s LYS 12 Cb -0.14 -1.92 0.07 0.00 -2.06 0.00 0.00 37.83 33.78 2g5m s LYS 12 CO -0.02 -1.30 0.68 0.34 0.10 0.00 0.00 175.35 175.15 2g5m s ASP 13 N -1.91 4.99 0.44 0.03 -1.08 -0.09 -4.92 116.67 114.13 2g5m s ASP 13 Ca 0.74 -0.95 0.21 0.00 -0.52 0.00 0.00 52.55 52.03 2g5m s ASP 13 Cb -0.27 0.31 1.02 0.00 -1.46 0.00 0.00 42.92 42.51 2g5m s ASP 13 CO 0.36 -1.26 1.91 0.28 0.52 0.00 0.00 175.17 176.98 2g5m h SER 14 N 0.34 0.00 1.19 -0.34 0.02 -1.96 0.20 113.55 113.01 2g5m h SER 14 Ca -0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 2g5m h SER 14 Cb 1.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 2g5m h SER 14 CO 0.45 0.25 -0.08 -0.08 -1.14 0.00 0.00 176.83 176.23 2g5m h GLU 15 N 0.00 0.00 0.00 3.45 4.57 -1.94 -3.49 114.58 117.17 2g5m h GLU 15 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2g5m h GLU 15 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2g5m h GLU 15 CO 0.03 0.08 0.00 0.41 -1.18 0.00 0.00 179.01 178.35 2g5m n GLY 16 N 0.31 0.98 2.69 1.92 0.00 0.06 -4.95 105.19 106.20 2g5m n GLY 16 Ca 0.01 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 2g5m n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g5m n LEU 17 N 0.00 0.00 -2.82 0.99 4.77 -1.26 -0.92 117.00 117.76 2g5m n LEU 17 Ca 0.00 -2.03 -0.11 0.00 -0.03 0.00 0.00 56.01 53.85 2g5m n LEU 17 Cb 0.00 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2g5m n LEU 17 CO 0.00 -0.49 0.21 0.61 -1.33 0.00 0.00 177.39 176.39 2g5m n GLY 18 N 0.31 1.07 3.83 -0.72 0.00 -1.26 -3.28 105.19 105.14 2g5m n GLY 18 Ca -0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.15 0.00 0.01 -0.61 -4.36 -1.26 -1.45 121.20 113.38 2g5m s ILE 19 Ca 0.27 -0.93 -0.13 0.00 -0.26 0.00 0.00 60.65 59.60 2g5m s ILE 19 Cb 0.29 -2.58 0.02 0.00 1.25 0.00 0.00 42.46 41.44 2g5m s ILE 19 CO -0.08 0.00 0.27 -0.44 0.24 0.00 0.00 174.94 174.93 2g5m s SER 20 N -3.06 -0.12 0.30 4.36 0.01 0.20 -4.74 113.70 110.66 2g5m s SER 20 Ca 0.15 -0.08 0.10 0.00 1.31 0.00 0.00 55.95 57.43 2g5m s SER 20 Cb -0.05 0.30 -0.05 0.00 0.21 0.00 0.00 66.02 66.43 2g5m s SER 20 CO 0.09 -0.49 -0.07 0.27 0.41 0.00 0.00 173.24 173.45 2g5m s ILE 21 N -1.77 2.75 -0.10 1.44 -4.36 -1.26 0.43 121.20 118.33 2g5m s ILE 21 Ca -0.11 -2.12 -0.08 0.00 -0.26 0.00 0.00 60.65 58.08 2g5m s ILE 21 Cb -0.04 -2.63 0.03 0.00 1.25 0.00 0.00 42.46 41.07 2g5m s ILE 21 CO 0.01 -0.31 0.25 -0.51 0.24 0.00 0.00 174.94 174.62 2g5m s ILE 22 N -2.48 -0.01 -0.42 8.37 1.10 0.57 -4.50 121.20 123.83 2g5m s ILE 22 Ca 0.32 0.03 -0.23 0.00 -0.51 0.00 0.00 60.65 60.26 2g5m s ILE 22 Cb -0.03 -0.36 0.02 0.00 0.15 0.00 0.00 42.46 42.24 2g5m s ILE 22 CO 0.18 0.01 0.79 -0.83 -2.11 0.00 0.00 174.94 172.98 2g5m s GLY 23 N 0.40 1.61 -0.10 1.50 0.00 -1.26 -1.12 107.32 108.35 2g5m s GLY 23 Ca -0.02 -0.88 -0.03 0.00 0.00 0.00 0.00 44.72 43.78 2g5m s GLY 23 CO -0.02 1.79 0.03 1.06 0.00 0.00 0.00 173.10 175.95 2g5m s MET 24 N 3.25 3.17 0.00 2.90 -1.94 0.10 -4.93 119.30 121.85 2g5m s MET 24 Ca 0.31 -0.37 0.00 0.00 -1.71 0.00 0.00 55.69 53.92 2g5m s MET 24 Cb -0.12 -2.89 0.00 0.00 2.01 0.00 0.00 34.83 33.82 2g5m s MET 24 CO 0.21 0.65 0.00 0.41 -0.01 0.00 0.00 175.02 176.29 2g5m n GLY 25 N 2.31 3.82 3.14 -0.03 0.00 -1.26 0.37 105.19 113.54 2g5m n GLY 25 Ca -0.19 -0.96 0.04 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 -3.00 0.00 4.61 0.00 -1.26 -4.92 121.76 115.19 2g5m s ALA 26 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.05 2g5m s ALA 26 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.45 2g5m s ALA 26 CO 0.00 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.19 2g5m n GLY 27 N 5.15 2.56 2.68 0.00 0.00 -1.26 -4.99 105.19 109.33 2g5m n GLY 27 Ca 0.07 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.89 0.86 -0.99 4.61 0.00 -1.23 -3.89 121.76 118.21 2g5m s ALA 28 Ca 0.00 -0.73 0.24 0.00 0.00 0.00 0.00 51.96 51.47 2g5m s ALA 28 Cb 0.00 -1.21 0.33 0.00 0.00 0.00 0.00 23.12 22.24 2g5m s ALA 28 CO 0.00 -1.27 1.29 -3.47 0.00 0.00 0.00 175.76 172.31 2g5m n ASP 29 N 5.11 0.62 0.00 0.00 2.03 0.77 -4.95 116.55 120.13 2g5m n ASP 29 Ca -0.07 -0.42 0.00 0.00 0.52 0.00 0.00 54.79 54.81 2g5m n ASP 29 Cb 0.47 0.43 0.00 0.00 -0.72 0.00 0.00 41.12 41.30 2g5m n ASP 29 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2g5m n MET 30 N -1.51 0.00 -3.08 -0.67 0.00 -1.23 -4.83 117.12 105.81 2g5m n MET 30 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.37 2g5m n MET 30 Cb 0.34 -4.03 -0.01 0.00 0.00 0.00 0.00 33.22 29.51 2g5m n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2g5m n GLY 31 N -1.91 5.17 3.19 3.17 0.00 -1.26 -4.72 105.19 108.83 2g5m n GLY 31 Ca 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.33 2g5m n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g5m n LEU 32 N 1.06 0.01 -4.06 0.99 7.99 -1.26 -4.89 117.00 116.83 2g5m n LEU 32 Ca 0.29 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.87 2g5m n LEU 32 Cb 0.35 -0.06 -0.01 0.00 -0.11 0.00 0.00 43.42 43.58 2g5m n LEU 32 CO 0.63 -0.01 0.84 -0.62 -1.51 0.00 0.00 177.39 176.72 2g5m n GLU 33 N -2.00 3.80 -2.15 3.23 -0.58 -1.26 -4.85 120.64 116.82 2g5m n GLU 33 Ca 0.00 -4.53 -0.03 0.00 -0.42 0.00 0.00 57.16 52.18 2g5m n GLU 33 Cb 0.00 -2.49 -0.01 0.00 -0.57 0.00 0.00 31.44 28.38 2g5m n GLU 33 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2g5m n LYS 34 N 1.79 0.10 -1.82 3.49 5.02 -1.25 -0.17 118.16 125.32 2g5m n LYS 34 Ca 0.25 -0.52 -0.43 0.00 -2.02 0.00 0.00 58.31 55.60 2g5m n LYS 34 Cb 0.36 0.46 -0.03 0.00 -0.02 0.00 0.00 35.03 35.81 2g5m n LYS 34 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2g5m s LEU 35 N 0.00 4.01 -0.33 -0.35 1.43 -1.26 -4.56 118.68 117.62 2g5m s LEU 35 Ca 0.06 2.11 -0.12 0.00 -1.03 0.00 0.00 54.13 55.15 2g5m s LEU 35 Cb 0.00 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 2g5m s LEU 35 CO 0.04 -1.34 0.21 -0.83 0.23 0.00 0.00 176.35 174.66 2g5m s GLY 36 N 5.25 1.93 -0.99 -3.19 0.00 0.16 -3.68 107.32 106.80 2g5m s GLY 36 Ca 0.85 -1.38 -0.18 0.00 0.00 0.00 0.00 44.72 44.01 2g5m s GLY 36 CO 0.35 0.74 1.20 -0.42 0.00 0.00 0.00 173.10 174.97 2g5m s ILE 37 N 1.68 4.74 0.78 0.90 -1.09 -1.26 -0.72 121.20 126.22 2g5m s ILE 37 Ca 0.05 -1.73 -0.09 0.00 -2.23 0.00 0.00 60.65 56.65 2g5m s ILE 37 Cb -0.17 -4.82 0.09 0.00 -1.58 0.00 0.00 42.46 35.98 2g5m s ILE 37 CO 0.09 -1.55 1.11 -0.36 -1.23 0.00 0.00 174.94 173.00 2g5m s PHE 38 N 2.60 2.64 0.16 3.97 0.40 -0.27 -3.99 117.98 123.49 2g5m s PHE 38 Ca 0.35 0.47 -0.30 0.00 -0.60 0.00 0.00 56.93 56.85 2g5m s PHE 38 Cb -0.04 -3.42 -0.07 0.00 0.51 0.00 0.00 43.02 40.00 2g5m s PHE 38 CO -0.08 -1.74 1.01 0.08 0.70 0.00 0.00 175.22 175.20 2g5m s VAL 39 N -3.44 4.16 -0.21 -0.44 1.01 -0.72 -0.32 120.40 120.44 2g5m s VAL 39 Ca 0.63 1.89 -0.17 0.00 0.00 0.00 0.00 61.98 64.34 2g5m s VAL 39 Cb -0.09 -4.21 -0.18 0.00 0.00 0.00 0.00 36.38 31.90 2g5m s VAL 39 CO 0.47 0.34 0.09 1.17 0.00 0.00 0.00 175.10 177.17 2g5m n LYS 40 N 2.34 0.60 -3.87 2.72 4.81 0.17 -4.60 118.16 120.34 2g5m n LYS 40 Ca 0.02 0.44 -0.09 0.00 -0.87 0.00 0.00 58.31 57.81 2g5m n LYS 40 Cb 0.48 -1.67 -0.04 0.00 0.02 0.00 0.00 35.03 33.81 2g5m n LYS 40 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2g5m s THR 41 N -2.43 0.02 -0.34 3.15 -1.32 -1.13 -4.95 115.64 108.64 2g5m s THR 41 Ca -0.31 -1.08 -0.01 0.00 -1.21 0.00 0.00 61.69 59.08 2g5m s THR 41 Cb 0.08 -1.87 0.11 0.00 -1.51 0.00 0.00 72.50 69.31 2g5m s THR 41 CO 0.59 -0.08 0.15 0.54 -2.21 0.00 0.00 174.62 173.61 2g5m s VAL 42 N -3.94 0.72 0.13 5.08 0.11 -1.26 -0.63 120.40 120.61 2g5m s VAL 42 Ca 0.15 -1.56 -0.31 0.00 -2.93 0.00 0.00 61.98 57.32 2g5m s VAL 42 Cb -0.01 -1.54 -0.11 0.00 -1.53 0.00 0.00 36.38 33.19 2g5m s VAL 42 CO 0.03 -0.77 1.84 0.41 -3.33 0.00 0.00 175.10 173.27 2g5m n THR 43 N 4.55 0.34 -0.05 5.04 -1.04 -0.53 -4.78 114.28 117.81 2g5m n THR 43 Ca 0.01 -0.06 0.02 0.00 -2.04 0.00 0.00 64.05 61.98 2g5m n THR 43 Cb 0.40 -2.13 0.34 0.00 -1.82 0.00 0.00 70.33 67.11 2g5m n THR 43 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2g5m h GLU 44 N 8.47 0.65 0.00 -2.82 5.08 -1.96 -1.09 114.58 122.92 2g5m h GLU 44 Ca -0.46 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2g5m h GLU 44 Cb 1.22 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2g5m h GLU 44 CO 0.95 0.50 0.00 0.41 -1.00 0.00 0.00 179.01 179.87 2g5m n GLY 45 N -1.27 -1.30 3.90 -3.84 0.00 -1.26 -4.25 105.19 97.17 2g5m n GLY 45 Ca 0.04 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.02 2.13 0.19 -0.02 0.00 -0.41 -4.78 107.32 101.41 2g5m s GLY 46 Ca 0.11 -1.83 -0.16 0.00 0.00 0.00 0.00 44.72 42.84 2g5m s GLY 46 CO 0.42 -1.70 1.64 0.00 0.00 0.00 0.00 173.10 173.46 2g5m h ALA 47 N 0.93 0.28 -0.18 3.20 0.00 -1.70 -2.23 119.26 119.55 2g5m h ALA 47 Ca -0.40 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2g5m h ALA 47 Cb 1.27 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2g5m h ALA 47 CO 0.55 -0.48 -0.09 0.00 0.00 0.00 0.00 179.25 179.24 2g5m h ALA 48 N 1.42 1.51 0.19 0.00 0.00 -1.85 0.37 119.26 120.91 2g5m h ALA 48 Ca 0.24 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 54.63 2g5m h ALA 48 Cb 0.41 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2g5m h ALA 48 CO -0.54 0.35 -1.63 1.25 0.00 0.00 0.00 179.25 178.68 2g5m h HIS 49 N 0.27 0.72 -0.27 0.00 6.17 -1.62 0.06 115.15 120.49 2g5m h HIS 49 Ca 0.06 -0.52 -0.13 0.00 0.71 0.00 0.00 60.37 60.49 2g5m h HIS 49 Cb 0.34 -0.03 -0.00 0.00 2.52 0.00 0.00 27.41 30.24 2g5m h HIS 49 CO 0.01 1.57 -0.33 0.00 0.71 0.00 0.00 177.93 179.89 2g5m h ARG 50 N 0.11 0.69 -0.08 5.26 3.08 -1.02 -3.16 114.38 119.26 2g5m h ARG 50 Ca -0.29 -0.39 -0.16 0.00 0.07 0.00 0.00 59.98 59.20 2g5m h ARG 50 Cb 2.10 0.03 0.01 0.00 0.08 0.00 0.00 29.97 32.18 2g5m h ARG 50 CO 0.20 1.01 -0.59 0.22 -1.07 0.00 0.00 179.97 179.74 2g5m h ASP 51 N 0.42 0.66 -1.08 7.04 3.58 -0.39 -3.49 116.42 123.17 2g5m h ASP 51 Ca 0.03 -0.67 0.00 0.00 0.42 0.00 0.00 57.03 56.81 2g5m h ASP 51 Cb 0.91 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2g5m h ASP 51 CO 0.08 1.23 0.00 0.61 -2.88 0.00 0.00 179.24 178.28 2g5m n GLY 52 N 0.81 0.54 0.00 -0.78 0.00 -0.06 -5.07 105.19 100.63 2g5m n GLY 52 Ca -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.54 0.00 -2.02 1.61 5.12 -0.81 -5.01 116.66 115.01 2g5m n ARG 53 Ca 0.00 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.51 2g5m n ARG 53 Cb 0.25 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.53 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 2.68 0.34 0.55 1.01 -1.26 -5.01 121.20 119.51 2g5m s ILE 54 Ca 0.00 0.57 0.08 0.00 0.00 0.00 0.00 60.65 61.31 2g5m s ILE 54 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2g5m s ILE 54 CO 0.00 0.09 0.13 -1.10 0.00 0.00 0.00 174.94 174.06 2g5m s GLN 55 N -0.32 2.35 0.00 2.79 -1.52 -1.26 -4.71 119.66 116.98 2g5m s GLN 55 Ca 0.59 -1.55 0.07 0.00 -1.95 0.00 0.00 55.36 52.53 2g5m s GLN 55 Cb -0.42 -2.16 0.34 0.00 -0.22 0.00 0.00 33.01 30.55 2g5m s GLN 55 CO 0.43 0.13 1.18 1.55 -0.25 0.00 0.00 175.29 178.33 2g5m n VAL 56 N -1.12 1.25 0.24 1.09 3.14 -1.26 -2.81 118.33 118.86 2g5m n VAL 56 Ca -0.03 0.31 0.03 0.00 -2.96 0.00 0.00 64.34 61.68 2g5m n VAL 56 Cb 0.61 -1.19 -0.01 0.00 -1.06 0.00 0.00 33.84 32.20 2g5m n VAL 56 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2g5m n ASN 57 N -1.42 0.72 -4.74 6.55 0.23 -1.26 -4.43 115.26 110.90 2g5m n ASN 57 Ca 0.02 -0.86 -0.23 0.00 -0.53 0.00 0.00 54.58 52.99 2g5m n ASN 57 Cb 0.08 0.61 0.10 0.00 -2.08 0.00 0.00 39.78 38.49 2g5m n ASN 57 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 2g5m s ASP 58 N -1.08 4.44 -0.02 0.53 1.47 -1.12 -4.86 116.67 116.03 2g5m s ASP 58 Ca 0.04 -0.57 0.02 0.00 1.18 0.00 0.00 52.55 53.21 2g5m s ASP 58 Cb 0.04 0.22 0.00 0.00 -0.34 0.00 0.00 42.92 42.84 2g5m s ASP 58 CO 0.15 -1.81 -0.05 -0.22 0.68 0.00 0.00 175.17 173.92 2g5m s LEU 59 N -5.05 1.78 -0.79 2.11 2.96 -1.26 -1.75 118.68 116.68 2g5m s LEU 59 Ca 0.66 -0.11 -0.24 0.00 -0.22 0.00 0.00 54.13 54.23 2g5m s LEU 59 Cb -0.05 -0.34 0.06 0.00 0.50 0.00 0.00 46.19 46.36 2g5m s LEU 59 CO 0.44 0.03 1.19 -0.76 -1.32 0.00 0.00 176.35 175.93 2g5m s LEU 60 N 0.20 3.86 0.10 -0.68 1.43 -1.26 -3.38 118.68 118.95 2g5m s LEU 60 Ca -0.02 -1.02 -0.15 0.00 -1.03 0.00 0.00 54.13 51.91 2g5m s LEU 60 Cb -0.06 -2.50 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 2g5m s LEU 60 CO -0.00 -1.55 1.42 0.58 0.23 0.00 0.00 176.35 177.03 2g5m h VAL 61 N 6.13 1.30 -3.09 -1.59 2.07 -1.50 -3.44 116.25 116.14 2g5m h VAL 61 Ca -0.14 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 65.90 2g5m h VAL 61 Cb 1.05 1.59 -0.13 0.00 -1.52 0.00 0.00 31.29 32.27 2g5m h VAL 61 CO 1.26 0.46 0.07 -1.83 0.02 0.00 0.00 177.57 177.55 2g5m s GLU 62 N -4.36 1.15 0.34 1.57 -1.05 -1.09 -0.97 118.70 114.29 2g5m s GLU 62 Ca -0.12 -0.50 0.04 0.00 -0.15 0.00 0.00 54.97 54.23 2g5m s GLU 62 Cb 0.09 0.52 0.04 0.00 -0.44 0.00 0.00 34.13 34.34 2g5m s GLU 62 CO 0.83 -0.47 0.33 1.55 0.95 0.00 0.00 175.26 178.45 2g5m n VAL 63 N -0.16 0.00 0.02 1.83 3.14 0.66 -0.09 118.33 123.73 2g5m n VAL 63 Ca -0.17 -1.27 -0.11 0.00 -2.96 0.00 0.00 64.34 59.83 2g5m n VAL 63 Cb 0.64 -0.39 -0.04 0.00 -1.06 0.00 0.00 33.84 32.99 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 0.28 -0.88 -0.41 6.55 3.58 -1.78 -3.29 116.42 120.46 2g5m h ASP 64 Ca -0.20 0.13 -0.30 0.00 0.42 0.00 0.00 57.03 57.08 2g5m h ASP 64 Cb 0.77 0.38 -0.26 0.00 1.72 0.00 0.00 39.33 41.93 2g5m h ASP 64 CO 0.30 -0.34 -0.73 0.61 -2.88 0.00 0.00 179.24 176.20 2g5m n GLY 65 N -1.39 5.37 3.61 -0.78 0.00 -1.26 -5.00 105.19 105.73 2g5m n GLY 65 Ca -0.03 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.81 0.00 0.11 2.61 2.01 -1.24 -5.03 115.64 110.28 2g5m s THR 66 Ca 0.44 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.48 2g5m s THR 66 Cb 0.39 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2g5m s THR 66 CO -0.02 0.00 0.06 -0.55 -0.69 0.00 0.00 174.62 173.42 2g5m s SER 67 N 0.11 5.30 -0.32 3.53 0.15 -1.26 -0.25 113.70 120.96 2g5m s SER 67 Ca -0.01 -0.12 -0.00 0.00 0.70 0.00 0.00 55.95 56.52 2g5m s SER 67 Cb -0.04 -1.34 0.07 0.00 -1.71 0.00 0.00 66.02 63.00 2g5m s SER 67 CO 0.02 0.15 0.03 -0.76 1.20 0.00 0.00 173.24 173.87 2g5m s LEU 68 N -2.55 4.23 0.00 3.45 2.01 -0.14 -4.90 118.68 120.78 2g5m s LEU 68 Ca 0.28 -1.60 0.18 0.00 0.01 0.00 0.00 54.13 53.00 2g5m s LEU 68 Cb -0.11 -1.69 -0.12 0.00 0.01 0.00 0.00 46.19 44.27 2g5m s LEU 68 CO 0.21 -0.32 0.82 0.52 1.01 0.00 0.00 176.35 178.58 2g5m n VAL 69 N 4.52 0.00 0.00 -1.59 0.31 -1.26 -4.75 118.33 115.55 2g5m n VAL 69 Ca -0.08 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2g5m n VAL 69 Cb 0.42 1.08 0.00 0.00 -0.91 0.00 0.00 33.84 34.43 2g5m n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2g5m n GLY 70 N 1.35 0.41 2.01 2.92 0.00 -1.25 -4.66 105.19 105.97 2g5m n GLY 70 Ca 0.05 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.29 1.61 0.24 -1.24 -4.58 118.33 112.07 2g5m n VAL 71 Ca 0.00 -1.09 -0.29 0.00 -2.04 0.00 0.00 64.34 60.91 2g5m n VAL 71 Cb 0.00 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 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 -1.22 4.81 0.42 3.34 -4.23 -1.26 -4.72 115.64 112.78 2g5m s THR 72 Ca 0.22 0.53 0.11 0.00 -1.18 0.00 0.00 61.69 61.38 2g5m s THR 72 Cb -0.02 -3.86 0.19 0.00 1.34 0.00 0.00 72.50 70.15 2g5m s THR 72 CO 0.14 -0.98 1.98 -0.61 -0.54 0.00 0.00 174.62 174.61 2g5m h GLN 73 N 0.01 0.17 -0.48 3.99 4.15 -1.97 -0.75 115.11 120.22 2g5m h GLN 73 Ca -0.46 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 58.88 2g5m h GLN 73 Cb 1.20 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 2g5m h GLN 73 CO 0.62 0.27 0.10 0.77 -1.93 0.00 0.00 178.83 178.66 2g5m h SER 74 N 0.16 0.74 0.17 -0.69 0.02 -1.99 -0.83 113.55 111.13 2g5m h SER 74 Ca 0.04 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2g5m h SER 74 Cb 0.28 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2g5m h SER 74 CO 0.02 0.80 -0.08 0.15 -1.14 0.00 0.00 176.83 176.57 2g5m h PHE 75 N 0.65 -0.21 -0.82 3.45 3.04 -1.74 -2.61 116.94 118.70 2g5m h PHE 75 Ca 0.15 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.15 2g5m h PHE 75 Cb 0.36 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.89 2g5m h PHE 75 CO 0.02 -0.04 0.54 0.00 -2.02 0.00 0.00 178.31 176.81 2g5m h ALA 76 N 0.47 1.59 -0.14 2.41 0.00 -0.98 -0.04 119.26 122.57 2g5m h ALA 76 Ca -0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2g5m h ALA 76 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2g5m h ALA 76 CO 0.04 0.29 -0.34 0.00 0.00 0.00 0.00 179.25 179.24 2g5m h ALA 77 N 1.55 1.18 0.00 0.00 0.00 -1.03 -2.11 119.26 118.85 2g5m h ALA 77 Ca 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2g5m h ALA 77 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2g5m h ALA 77 CO -0.12 0.54 0.00 0.77 0.00 0.00 0.00 179.25 180.44 2g5m h SER 78 N 0.24 0.00 0.51 0.00 0.02 -0.78 -3.31 113.55 110.22 2g5m h SER 78 Ca 0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2g5m h SER 78 Cb 0.71 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2g5m h SER 78 CO 0.05 0.00 -0.39 0.58 -1.14 0.00 0.00 176.83 175.94 2g5m h VAL 79 N 0.00 0.22 -0.15 2.27 2.07 -0.34 -1.06 116.25 119.25 2g5m h VAL 79 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2g5m h VAL 79 Cb 0.95 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2g5m h VAL 79 CO 0.00 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.63 2g5m h LEU 80 N -0.88 0.02 0.00 2.57 -0.00 -1.64 -0.51 115.31 114.86 2g5m h LEU 80 Ca -0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2g5m h LEU 80 Cb 0.74 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 2g5m h LEU 80 CO 0.01 0.01 -0.06 0.03 -0.00 0.00 0.00 178.44 178.43 2g5m h ARG 81 N 0.02 0.00 0.00 1.13 3.08 -1.57 -3.05 114.38 113.99 2g5m h ARG 81 Ca 0.07 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 2g5m h ARG 81 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2g5m h ARG 81 CO -0.00 0.00 -0.94 -0.97 -1.07 0.00 0.00 179.97 176.99 2g5m h ASN 82 N 0.00 0.00 -3.39 7.04 -1.24 0.22 -3.46 115.58 114.76 2g5m h ASN 82 Ca 0.00 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.52 2g5m h ASN 82 Cb 0.84 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.92 2g5m h ASN 82 CO 0.00 0.79 0.04 0.42 -1.29 0.00 0.00 177.43 177.39 2g5m s THR 83 N -2.80 4.96 0.68 -3.57 -4.23 -1.03 -5.02 115.64 104.63 2g5m s THR 83 Ca 0.01 0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 60.45 2g5m s THR 83 Cb 0.09 -3.86 0.17 0.00 1.34 0.00 0.00 72.50 70.24 2g5m s THR 83 CO 0.79 -0.77 0.49 0.29 -0.54 0.00 0.00 174.62 174.88 2g5m n LYS 84 N -2.12 -2.82 -0.16 3.99 5.02 -1.26 -4.95 118.16 115.86 2g5m n LYS 84 Ca -0.01 -0.80 -0.10 0.00 -2.02 0.00 0.00 58.31 55.39 2g5m n LYS 84 Cb 0.55 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 2g5m n LYS 84 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2g5m h GLY 85 N -1.99 0.89 -6.48 0.72 0.00 -1.94 -3.40 103.07 90.87 2g5m h GLY 85 Ca -0.20 -0.64 -0.63 0.00 0.00 0.00 0.00 47.33 45.87 2g5m h GLY 85 CO 0.13 0.59 -0.83 -1.60 0.00 0.00 0.00 176.54 174.82 2g5m s ARG 86 N -5.06 2.42 0.05 4.80 3.52 -1.26 -1.84 118.95 121.58 2g5m s ARG 86 Ca -0.13 -0.72 -0.09 0.00 -0.13 0.00 0.00 55.73 54.67 2g5m s ARG 86 Cb 0.11 -2.32 0.00 0.00 -1.56 0.00 0.00 34.95 31.18 2g5m s ARG 86 CO 0.81 -0.28 0.18 0.14 -0.81 0.00 0.00 175.30 175.34 2g5m s VAL 87 N 1.40 0.12 -0.21 7.11 -7.23 -1.09 -5.01 120.40 115.49 2g5m s VAL 87 Ca 0.03 -1.00 -0.07 0.00 -1.81 0.00 0.00 61.98 59.13 2g5m s VAL 87 Cb -0.14 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 2g5m s VAL 87 CO -0.11 -0.55 0.05 -0.13 -0.31 0.00 0.00 175.10 174.05 2g5m s ARG 88 N -2.94 3.78 0.36 4.82 0.52 -1.26 -2.17 118.95 122.06 2g5m s ARG 88 Ca -0.02 -0.43 0.07 0.00 -0.52 0.00 0.00 55.73 54.83 2g5m s ARG 88 Cb 0.01 -3.21 -0.00 0.00 0.52 0.00 0.00 34.95 32.26 2g5m s ARG 88 CO -0.06 0.06 0.49 -0.06 0.02 0.00 0.00 175.30 175.76 2g5m s PHE 89 N 0.92 3.01 -0.28 -0.53 0.08 0.72 -2.07 117.98 119.82 2g5m s PHE 89 Ca 0.03 -0.28 -0.03 0.00 0.12 0.00 0.00 56.93 56.77 2g5m s PHE 89 Cb -0.14 -2.11 0.03 0.00 -0.57 0.00 0.00 43.02 40.23 2g5m s PHE 89 CO 0.02 -0.13 -0.00 -1.64 -0.10 0.00 0.00 175.22 173.37 2g5m s MET 90 N -4.22 2.73 -0.18 0.44 -1.94 0.87 -0.22 119.30 116.77 2g5m s MET 90 Ca 0.48 -1.07 -0.13 0.00 -1.71 0.00 0.00 55.69 53.26 2g5m s MET 90 Cb -0.09 -3.16 -0.05 0.00 2.01 0.00 0.00 34.83 33.54 2g5m s MET 90 CO 0.31 -0.50 0.25 0.42 -0.01 0.00 0.00 175.02 175.49 2g5m s ILE 91 N 1.34 5.32 -0.51 2.53 1.09 0.09 -1.22 121.20 129.84 2g5m s ILE 91 Ca -0.01 0.44 -0.15 0.00 -1.10 0.00 0.00 60.65 59.84 2g5m s ILE 91 Cb -0.18 -3.59 0.12 0.00 -1.06 0.00 0.00 42.46 37.75 2g5m s ILE 91 CO -0.01 0.38 0.45 -0.83 -0.10 0.00 0.00 174.94 174.82 2g5m s GLY 92 N 0.60 2.07 -0.12 6.18 0.00 -1.22 -1.18 107.32 113.66 2g5m s GLY 92 Ca 0.14 -2.47 -0.29 0.00 0.00 0.00 0.00 44.72 42.10 2g5m s GLY 92 CO 0.03 1.16 1.56 -1.60 0.00 0.00 0.00 173.10 174.25 2g5m s ARG 93 N 1.56 4.10 -1.24 2.90 6.06 0.06 -4.55 118.95 127.84 2g5m s ARG 93 Ca 0.04 1.95 -0.15 0.00 -2.50 0.00 0.00 55.73 55.07 2g5m s ARG 93 Cb -0.28 -3.95 0.14 0.00 0.06 0.00 0.00 34.95 30.92 2g5m s ARG 93 CO 0.03 -0.92 1.52 -1.91 -2.50 0.00 0.00 175.30 171.52 2g5m n GLU 94 N 7.14 3.32 0.40 5.12 2.13 -1.26 -2.51 120.64 134.99 2g5m n GLU 94 Ca 0.17 -3.70 -0.19 0.00 0.66 0.00 0.00 57.16 54.10 2g5m n GLU 94 Cb 0.44 -3.16 -0.10 0.00 0.27 0.00 0.00 31.44 28.89 2g5m n GLU 94 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2g5m h ARG 95 N 7.24 -1.09 0.00 5.31 2.43 -1.90 -3.44 114.38 122.93 2g5m h ARG 95 Ca 0.35 0.07 -0.34 0.00 -0.81 0.00 0.00 59.98 59.26 2g5m h ARG 95 Cb 0.87 0.25 0.12 0.00 -0.42 0.00 0.00 29.97 30.79 2g5m h ARG 95 CO 1.31 -0.73 0.27 -0.35 -1.51 0.00 0.00 179.97 178.96 2g5m n PRO 96 N -5.60 -0.77 0.00 0.20 -0.04 -1.26 -5.04 135.00 122.49 2g5m n PRO 96 Ca -0.14 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 2g5m n PRO 96 Cb 0.48 -0.94 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 2g5m n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2g5m n GLY 97 N -1.62 0.00 0.09 0.55 0.00 -1.26 -4.64 105.19 98.31 2g5m n GLY 97 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2g5m n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2g5m n GLU 98 N -2.30 0.25 0.00 1.61 1.02 -1.26 -4.96 120.64 115.00 2g5m n GLU 98 Ca 0.00 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2g5m n GLU 98 Cb 0.45 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2g5m n GLU 98 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2g5m n GLN 99 N -2.18 0.00 -3.64 3.49 -0.06 -1.26 -4.67 117.38 109.07 2g5m n GLN 99 Ca 0.05 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 55.02 2g5m n GLN 99 Cb 0.43 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.59 2g5m n GLN 99 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 2g5m s SER 100 N -4.00 -0.18 0.00 1.69 0.01 -1.26 -4.92 113.70 105.04 2g5m s SER 100 Ca 0.00 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.11 2g5m s SER 100 Cb 0.00 0.32 0.05 0.00 0.21 0.00 0.00 66.02 66.61 2g5m s SER 100 CO 0.00 -0.57 0.78 -0.62 0.41 0.00 0.00 173.24 173.24 2g5m n GLU 101 N -0.37 0.76 -4.87 12.44 1.02 -1.26 -4.99 120.64 123.37 2g5m n GLU 101 Ca -0.06 -1.06 -0.30 0.00 -0.02 0.00 0.00 57.16 55.72 2g5m n GLU 101 Cb 0.61 -1.07 -0.15 0.00 -0.02 0.00 0.00 31.44 30.81 2g5m n GLU 101 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2g5m s VAL 102 N -0.55 2.13 0.00 2.62 -7.23 -1.26 -5.01 120.40 111.11 2g5m s VAL 102 Ca 0.05 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 2g5m s VAL 102 Cb 0.03 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.14 2g5m s VAL 102 CO 0.04 0.34 0.00 0.00 -0.31 0.00 0.00 175.10 175.18 2g5m n ALA 103 N 1.72 0.69 -3.85 1.32 0.00 -1.26 -5.10 120.51 114.03 2g5m n ALA 103 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 2g5m n ALA 103 Cb 0.52 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.80 2g5m n ALA 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2g5m s GLN 104 N 0.00 1.22 -1.14 0.00 2.00 -1.26 -5.04 119.66 115.44 2g5m s GLN 104 Ca 0.00 -0.43 -0.06 0.00 -2.00 0.00 0.00 55.36 52.88 2g5m s GLN 104 Cb 0.00 -1.89 0.27 0.00 0.80 0.00 0.00 33.01 32.18 2g5m s GLN 104 CO 0.00 -0.45 1.62 1.28 -0.50 0.00 0.00 175.29 177.25 2g5m n LEU 105 N 4.93 6.55 -0.01 3.68 4.32 -1.26 -4.52 117.00 130.69 2g5m n LEU 105 Ca -0.11 -5.05 -0.04 0.00 -0.02 0.00 0.00 56.01 50.79 2g5m n LEU 105 Cb 0.48 -1.33 -0.01 0.00 -1.62 0.00 0.00 43.42 40.93 2g5m n LEU 105 CO 0.15 1.62 -0.30 -0.38 -1.22 0.00 0.00 177.39 177.26 2g5m n ILE 106 N 1.88 1.35 0.37 -0.08 2.08 -1.26 -4.63 119.36 119.08 2g5m n ILE 106 Ca 0.31 0.29 0.14 0.00 0.56 0.00 0.00 62.75 64.05 2g5m n ILE 106 Cb 0.34 -1.93 0.52 0.00 -0.75 0.00 0.00 39.64 37.82 2g5m n ILE 106 CO 0.00 0.00 0.00 0.06 0.56 0.00 0.00 176.55 177.17 2g5m h GLN 107 N -0.44 0.00 -5.60 0.38 3.07 -2.03 -3.38 115.11 107.11 2g5m h GLN 107 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 58.27 2g5m h GLN 107 Cb 0.45 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.95 2g5m h GLN 107 CO -0.00 0.00 1.53 1.04 0.09 0.00 0.00 178.83 181.49 2g5m n GLN 108 N -2.59 2.23 0.00 0.06 6.02 -1.26 -3.89 117.38 117.94 2g5m n GLN 108 Ca 0.02 -2.78 0.00 0.00 -0.01 0.00 0.00 57.00 54.23 2g5m n GLN 108 Cb 0.31 -3.64 0.00 0.00 1.02 0.00 0.00 30.24 27.93 2g5m n GLN 108 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2g5m n THR 109 N 7.24 0.00 -3.55 5.09 5.66 -1.26 -4.91 114.28 122.55 2g5m n THR 109 Ca 0.47 -0.26 -0.28 0.00 -3.05 0.00 0.00 64.05 60.93 2g5m n THR 109 Cb 0.46 1.29 -0.11 0.00 -1.55 0.00 0.00 70.33 70.42 2g5m n THR 109 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2g5m s LEU 110 N -0.42 2.21 0.10 1.09 1.43 -1.25 -5.10 118.68 116.74 2g5m s LEU 110 Ca 0.00 -3.01 0.07 0.00 -1.03 0.00 0.00 54.13 50.16 2g5m s LEU 110 Cb 0.00 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 2g5m s LEU 110 CO 0.00 -0.19 -0.11 -1.83 0.23 0.00 0.00 176.35 174.45 2g5m s GLU 111 N -0.03 2.11 -0.99 1.70 1.03 -1.26 -5.05 118.70 116.20 2g5m s GLU 111 Ca 0.27 -1.03 -0.17 0.00 0.03 0.00 0.00 54.97 54.07 2g5m s GLU 111 Cb -0.07 -2.29 0.15 0.00 -0.80 0.00 0.00 34.13 31.13 2g5m s GLU 111 CO -0.13 0.51 1.16 -1.14 -1.33 0.00 0.00 175.26 174.34 2g5m s GLN 112 N -2.15 3.73 0.00 -4.83 0.74 -1.26 -5.23 119.66 110.66 2g5m s GLN 112 Ca 0.21 -2.06 0.00 0.00 0.05 0.00 0.00 55.36 53.56 2g5m s GLN 112 Cb -0.11 -4.89 0.00 0.00 1.10 0.00 0.00 33.01 29.11 2g5m s GLN 112 CO 0.13 -1.71 0.39 -1.91 -0.55 0.00 0.00 175.29 171.64