#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g5m s HIS 2 N 0.00 -0.20 -0.17 1.61 0.00 -1.26 -5.13 115.29 110.14 2g5m s HIS 2 Ca 0.00 -0.03 -0.15 0.00 -3.00 0.00 0.00 55.06 51.88 2g5m s HIS 2 Cb 0.00 0.60 -0.04 0.00 -4.00 0.00 0.00 32.58 29.13 2g5m s HIS 2 CO 0.00 -0.68 0.35 -1.64 -1.00 0.00 0.00 174.74 171.77 2g5m s MET 3 N -3.16 4.24 -0.77 -0.38 1.00 -1.26 -4.42 119.30 114.56 2g5m s MET 3 Ca 0.10 0.17 -0.27 0.00 0.00 0.00 0.00 55.69 55.69 2g5m s MET 3 Cb -0.01 -3.46 0.03 0.00 0.00 0.00 0.00 34.83 31.39 2g5m s MET 3 CO -0.02 0.14 1.30 -1.21 0.00 0.00 0.00 175.02 175.23 2g5m s GLU 4 N 0.75 3.23 -1.00 2.03 2.02 0.04 -4.82 118.70 120.95 2g5m s GLU 4 Ca 0.18 -0.34 -0.22 0.00 0.02 0.00 0.00 54.97 54.62 2g5m s GLU 4 Cb -0.14 -4.32 0.07 0.00 0.10 0.00 0.00 34.13 29.84 2g5m s GLU 4 CO 0.06 -2.16 1.36 -0.51 0.02 0.00 0.00 175.26 174.03 2g5m s LEU 5 N 5.67 3.94 -0.03 1.80 2.01 -1.24 -2.68 118.68 128.15 2g5m s LEU 5 Ca 0.36 -1.63 0.02 0.00 0.01 0.00 0.00 54.13 52.89 2g5m s LEU 5 Cb -0.07 -2.52 -0.03 0.00 0.01 0.00 0.00 46.19 43.58 2g5m s LEU 5 CO 0.12 -1.38 -0.07 0.72 1.01 0.00 0.00 176.35 176.76 2g5m s PHE 6 N 4.32 2.92 0.11 0.29 -0.12 0.38 -4.87 117.98 121.00 2g5m s PHE 6 Ca 0.42 -0.00 -0.31 0.00 -0.05 0.00 0.00 56.93 56.99 2g5m s PHE 6 Cb -0.01 -1.66 -0.08 0.00 -0.63 0.00 0.00 43.02 40.64 2g5m s PHE 6 CO -0.10 0.35 1.41 -1.25 -0.05 0.00 0.00 175.22 175.59 2g5m s PRO 7 N -1.12 4.31 -0.15 1.99 0.04 -1.26 -1.06 135.00 137.75 2g5m s PRO 7 Ca 0.15 2.09 0.02 0.00 0.04 0.00 0.00 61.00 63.30 2g5m s PRO 7 Cb -0.11 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.17 2g5m s PRO 7 CO 0.05 -0.47 -0.20 0.08 0.04 0.00 0.00 177.00 176.50 2g5m s VAL 8 N 1.26 1.97 -0.21 -0.36 1.01 0.94 -4.93 120.40 120.06 2g5m s VAL 8 Ca 0.65 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2g5m s VAL 8 Cb -0.37 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.29 2g5m s VAL 8 CO 0.30 0.53 -0.11 -0.70 0.00 0.00 0.00 175.10 175.12 2g5m s GLU 9 N 1.05 2.14 0.26 2.72 2.12 -1.26 -0.04 118.70 125.68 2g5m s GLU 9 Ca -0.02 -0.96 0.07 0.00 0.36 0.00 0.00 54.97 54.42 2g5m s GLU 9 Cb -0.14 -2.54 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 2g5m s GLU 9 CO -0.06 -0.45 0.25 -0.51 -0.54 0.00 0.00 175.26 173.95 2g5m s LEU 10 N 1.33 3.93 -0.21 2.70 1.43 -1.26 -4.98 118.68 121.62 2g5m s LEU 10 Ca -0.03 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2g5m s LEU 10 Cb -0.17 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.62 2g5m s LEU 10 CO -0.08 -0.07 -0.10 -1.83 0.23 0.00 0.00 176.35 174.50 2g5m s GLU 11 N -3.89 2.07 0.56 1.70 -1.05 -1.26 -4.49 118.70 112.34 2g5m s GLU 11 Ca 0.34 -0.94 -0.14 0.00 -0.15 0.00 0.00 54.97 54.08 2g5m s GLU 11 Cb -0.08 -2.52 -0.06 0.00 -0.44 0.00 0.00 34.13 31.03 2g5m s GLU 11 CO 0.26 -0.46 1.01 -1.59 0.95 0.00 0.00 175.26 175.43 2g5m s LYS 12 N 1.34 3.77 0.26 -4.83 -2.85 -1.26 -4.77 119.74 111.40 2g5m s LYS 12 Ca -0.03 0.87 -0.01 0.00 -1.00 0.00 0.00 55.97 55.80 2g5m s LYS 12 Cb -0.17 -2.11 0.05 0.00 -2.06 0.00 0.00 37.83 33.55 2g5m s LYS 12 CO -0.08 -0.42 0.35 -0.25 0.10 0.00 0.00 175.35 175.05 2g5m n ASP 13 N -2.12 0.33 0.27 0.03 8.00 -0.50 -4.84 116.55 117.72 2g5m n ASP 13 Ca 0.06 -1.31 0.16 0.00 0.71 0.00 0.00 54.79 54.41 2g5m n ASP 13 Cb 0.54 -0.24 0.70 0.00 -0.02 0.00 0.00 41.12 42.10 2g5m n ASP 13 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2g5m h SER 14 N -0.29 0.00 -0.13 -2.24 0.87 -2.01 -1.48 113.55 108.27 2g5m h SER 14 Ca -0.11 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.39 2g5m h SER 14 Cb 0.39 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2g5m h SER 14 CO 0.11 0.05 -0.12 -0.08 -0.53 0.00 0.00 176.83 176.26 2g5m h GLU 15 N 0.00 0.30 0.00 2.24 4.57 -1.99 -3.50 114.58 116.21 2g5m h GLU 15 Ca -0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2g5m h GLU 15 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2g5m h GLU 15 CO 0.01 0.70 0.00 0.41 -1.18 0.00 0.00 179.01 178.94 2g5m n GLY 16 N 0.19 0.14 4.02 1.92 0.00 -0.56 -5.05 105.19 105.84 2g5m n GLY 16 Ca -0.06 -1.53 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 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 3.00 -0.44 0.99 1.43 -1.26 -1.42 118.68 120.99 2g5m s LEU 17 Ca 0.00 -0.64 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 2g5m s LEU 17 Cb 0.00 -1.71 0.27 0.00 0.03 0.00 0.00 46.19 44.78 2g5m s LEU 17 CO 0.00 -1.69 0.80 0.61 0.23 0.00 0.00 176.35 176.30 2g5m n GLY 18 N -2.60 1.48 2.73 -3.19 0.00 -1.26 -4.66 105.19 97.68 2g5m n GLY 18 Ca 0.16 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 2g5m n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2g5m n ILE 19 N 1.13 0.00 -3.72 -0.61 -5.35 -1.26 -0.48 119.36 109.07 2g5m n ILE 19 Ca 0.14 -1.23 -0.10 0.00 -0.27 0.00 0.00 62.75 61.29 2g5m n ILE 19 Cb 0.62 0.84 -0.05 0.00 -1.74 0.00 0.00 39.64 39.31 2g5m n ILE 19 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2g5m s SER 20 N -2.68 -0.21 0.25 7.28 0.01 0.21 -4.80 113.70 113.76 2g5m s SER 20 Ca 0.20 -0.46 0.06 0.00 1.31 0.00 0.00 55.95 57.06 2g5m s SER 20 Cb -0.02 0.51 -0.05 0.00 0.21 0.00 0.00 66.02 66.67 2g5m s SER 20 CO 0.14 -0.94 -0.05 0.27 0.41 0.00 0.00 173.24 173.07 2g5m s ILE 21 N -3.86 1.42 -0.06 1.44 -4.36 -1.26 0.20 121.20 114.73 2g5m s ILE 21 Ca 0.07 -2.10 -0.05 0.00 -0.26 0.00 0.00 60.65 58.32 2g5m s ILE 21 Cb 0.01 -2.35 0.02 0.00 1.25 0.00 0.00 42.46 41.39 2g5m s ILE 21 CO -0.06 -0.36 0.15 -0.51 0.24 0.00 0.00 174.94 174.39 2g5m s ILE 22 N -3.16 -0.01 -0.82 8.37 1.10 0.42 -4.41 121.20 122.69 2g5m s ILE 22 Ca 0.28 0.03 -0.24 0.00 -0.51 0.00 0.00 60.65 60.21 2g5m s ILE 22 Cb 0.04 -0.22 0.06 0.00 0.15 0.00 0.00 42.46 42.49 2g5m s ILE 22 CO 0.10 0.01 1.21 -0.83 -2.11 0.00 0.00 174.94 173.32 2g5m s GLY 23 N 0.24 1.26 0.50 1.50 0.00 -1.26 -2.11 107.32 107.45 2g5m s GLY 23 Ca -0.01 -1.93 0.05 0.00 0.00 0.00 0.00 44.72 42.83 2g5m s GLY 23 CO -0.01 2.41 0.25 1.06 0.00 0.00 0.00 173.10 176.81 2g5m s MET 24 N 4.64 2.25 0.00 2.90 -1.94 -0.30 -4.98 119.30 121.86 2g5m s MET 24 Ca 0.34 -2.04 0.00 0.00 -1.71 0.00 0.00 55.69 52.28 2g5m s MET 24 Cb -0.08 -1.95 0.00 0.00 2.01 0.00 0.00 34.83 34.81 2g5m s MET 24 CO 0.04 -0.41 0.00 0.41 -0.01 0.00 0.00 175.02 175.05 2g5m n GLY 25 N -1.50 2.12 3.15 -0.03 0.00 -1.26 0.01 105.19 107.68 2g5m n GLY 25 Ca -0.05 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.51 -0.67 0.00 4.61 0.00 -1.18 -4.85 121.76 117.16 2g5m s ALA 26 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2g5m s ALA 26 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2g5m s ALA 26 CO 0.00 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2g5m n GLY 27 N 3.16 0.23 3.57 0.00 0.00 -1.26 -4.62 105.19 106.28 2g5m n GLY 27 Ca -0.15 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 3.15 -1.30 4.61 0.00 -1.26 -1.23 121.76 125.74 2g5m s ALA 28 Ca 0.00 -2.74 0.29 0.00 0.00 0.00 0.00 51.96 49.51 2g5m s ALA 28 Cb 0.00 -4.61 1.38 0.00 0.00 0.00 0.00 23.12 19.89 2g5m s ALA 28 CO 0.00 -3.38 1.97 -3.47 0.00 0.00 0.00 175.76 170.88 2g5m n ASP 29 N 8.50 0.00 -2.76 0.00 2.03 -1.26 -4.92 116.55 118.14 2g5m n ASP 29 Ca 0.44 0.07 -0.06 0.00 0.52 0.00 0.00 54.79 55.76 2g5m n ASP 29 Cb 0.47 -0.35 0.01 0.00 -0.72 0.00 0.00 41.12 40.53 2g5m n ASP 29 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2g5m n MET 30 N -1.35 -1.96 0.00 -0.67 2.81 -1.26 -4.72 117.12 109.97 2g5m n MET 30 Ca 0.12 1.85 0.00 0.00 -1.81 0.00 0.00 57.70 57.86 2g5m n MET 30 Cb 0.26 -5.31 0.00 0.00 -0.71 0.00 0.00 33.22 27.46 2g5m n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2g5m n GLY 31 N -0.61 0.76 0.00 3.03 0.00 -1.26 -4.90 105.19 102.20 2g5m n GLY 31 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.00 -3.14 0.99 -0.00 -1.26 -5.12 117.00 108.47 2g5m n LEU 32 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 2g5m n LEU 32 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2g5m n LEU 32 CO 0.00 0.00 -0.40 -0.62 -0.00 0.00 0.00 177.39 176.37 2g5m n GLU 33 N 0.00 -1.48 -2.35 1.96 1.02 -1.25 -4.71 120.64 113.82 2g5m n GLU 33 Ca 0.00 1.45 -0.43 0.00 -0.02 0.00 0.00 57.16 58.16 2g5m n GLU 33 Cb 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 28.89 2g5m n GLU 33 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2g5m n LYS 34 N 0.70 3.12 -4.33 3.49 2.85 -0.36 -4.01 118.16 119.62 2g5m n LYS 34 Ca -0.01 -3.13 -0.24 0.00 -1.05 0.00 0.00 58.31 53.88 2g5m n LYS 34 Cb 0.44 -3.39 -0.08 0.00 -0.65 0.00 0.00 35.03 31.34 2g5m n LYS 34 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2g5m s LEU 35 N 3.34 3.00 -0.19 -5.58 1.43 -1.26 -3.11 118.68 116.32 2g5m s LEU 35 Ca 0.51 -0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 2g5m s LEU 35 Cb 0.07 -1.46 0.06 0.00 0.03 0.00 0.00 46.19 44.89 2g5m s LEU 35 CO 0.02 -0.10 0.06 -0.83 0.23 0.00 0.00 176.35 175.73 2g5m s GLY 36 N -3.67 0.56 -1.08 -3.19 0.00 0.10 -3.96 107.32 96.08 2g5m s GLY 36 Ca 0.33 -0.56 -0.16 0.00 0.00 0.00 0.00 44.72 44.33 2g5m s GLY 36 CO 0.19 1.57 1.30 -0.42 0.00 0.00 0.00 173.10 175.74 2g5m s ILE 37 N 1.98 4.90 0.66 0.90 -1.09 -1.26 -1.15 121.20 126.14 2g5m s ILE 37 Ca 0.01 -2.17 -0.09 0.00 -2.23 0.00 0.00 60.65 56.17 2g5m s ILE 37 Cb -0.17 -4.85 0.02 0.00 -1.58 0.00 0.00 42.46 35.88 2g5m s ILE 37 CO -0.09 -1.57 1.01 -0.36 -1.23 0.00 0.00 174.94 172.70 2g5m s PHE 38 N 2.07 3.27 -0.00 3.97 0.40 -0.90 -3.38 117.98 123.41 2g5m s PHE 38 Ca 0.38 0.84 -0.30 0.00 -0.60 0.00 0.00 56.93 57.25 2g5m s PHE 38 Cb -0.04 -2.94 -0.05 0.00 0.51 0.00 0.00 43.02 40.50 2g5m s PHE 38 CO -0.04 -1.05 1.28 0.08 0.70 0.00 0.00 175.22 176.19 2g5m s VAL 39 N -3.20 3.97 -0.04 -0.44 1.01 -0.51 -0.44 120.40 120.75 2g5m s VAL 39 Ca 0.56 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.87 2g5m s VAL 39 Cb -0.11 -3.87 -0.27 0.00 0.00 0.00 0.00 36.38 32.13 2g5m s VAL 39 CO 0.49 0.03 0.67 0.50 0.00 0.00 0.00 175.10 176.78 2g5m h LYS 40 N 7.41 0.24 -2.91 2.72 3.64 -0.45 -3.42 116.57 123.80 2g5m h LYS 40 Ca -0.37 -0.41 0.05 0.00 -1.27 0.00 0.00 60.65 58.64 2g5m h LYS 40 Cb 1.18 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 33.07 2g5m h LYS 40 CO 0.87 1.08 0.26 -0.08 -2.27 0.00 0.00 179.45 179.31 2g5m s THR 41 N -2.59 0.00 -0.33 1.00 -1.32 -1.19 -4.95 115.64 106.26 2g5m s THR 41 Ca -0.13 -0.56 -0.01 0.00 -1.21 0.00 0.00 61.69 59.78 2g5m s THR 41 Cb 0.07 -1.59 0.12 0.00 -1.51 0.00 0.00 72.50 69.59 2g5m s THR 41 CO 0.83 0.00 0.18 0.54 -2.21 0.00 0.00 174.62 173.95 2g5m s VAL 42 N -3.77 0.15 0.09 5.08 0.11 -1.26 -0.62 120.40 120.19 2g5m s VAL 42 Ca 0.07 -1.38 -0.31 0.00 -2.93 0.00 0.00 61.98 57.44 2g5m s VAL 42 Cb -0.04 -1.13 -0.08 0.00 -1.53 0.00 0.00 36.38 33.60 2g5m s VAL 42 CO -0.01 -0.87 1.58 -0.89 -3.33 0.00 0.00 175.10 171.57 2g5m s THR 43 N 1.45 3.04 0.50 5.04 2.01 0.37 -4.72 115.64 123.33 2g5m s THR 43 Ca 0.14 0.59 0.25 0.00 0.31 0.00 0.00 61.69 62.98 2g5m s THR 43 Cb -0.20 -3.38 0.41 0.00 0.01 0.00 0.00 72.50 69.34 2g5m s THR 43 CO -0.15 0.01 1.93 1.05 -0.69 0.00 0.00 174.62 176.78 2g5m h GLU 44 N 7.74 0.12 0.00 4.92 4.11 -1.96 -0.98 114.58 128.53 2g5m h GLU 44 Ca -0.42 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 58.96 2g5m h GLU 44 Cb 1.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2g5m h GLU 44 CO 0.92 0.08 -0.23 0.78 0.07 0.00 0.00 179.01 180.63 2g5m h GLY 45 N 0.13 0.00 -2.39 1.06 0.00 -1.91 -3.43 103.07 96.53 2g5m h GLY 45 Ca 0.36 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 47.24 2g5m h GLY 45 CO -0.05 0.00 -0.18 -0.32 0.00 0.00 0.00 176.54 175.99 2g5m s GLY 46 N -4.22 1.63 0.43 4.60 0.00 -0.37 -4.99 107.32 104.40 2g5m s GLY 46 Ca -0.04 -1.27 0.10 0.00 0.00 0.00 0.00 44.72 43.52 2g5m s GLY 46 CO 0.70 -1.11 2.03 0.00 0.00 0.00 0.00 173.10 174.72 2g5m h ALA 47 N 0.54 1.85 -0.90 3.20 0.00 -1.83 -2.86 119.26 119.26 2g5m h ALA 47 Ca -0.45 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2g5m h ALA 47 Cb 1.26 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2g5m h ALA 47 CO 0.54 0.08 0.60 0.00 0.00 0.00 0.00 179.25 180.47 2g5m h ALA 48 N 1.74 1.39 -0.05 0.00 0.00 -1.85 0.25 119.26 120.73 2g5m h ALA 48 Ca 0.20 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 2g5m h ALA 48 Cb 0.20 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.65 2g5m h ALA 48 CO -0.05 0.55 -0.93 1.25 0.00 0.00 0.00 179.25 180.08 2g5m h HIS 49 N 1.18 0.91 0.00 0.00 6.17 -1.68 -0.13 115.15 121.60 2g5m h HIS 49 Ca 0.34 -0.46 -0.18 0.00 0.71 0.00 0.00 60.37 60.78 2g5m h HIS 49 Cb -0.08 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 29.71 2g5m h HIS 49 CO -0.00 1.29 -0.85 0.00 0.71 0.00 0.00 177.93 179.07 2g5m h ARG 50 N 0.38 0.00 0.00 5.26 3.08 -1.42 -3.28 114.38 118.40 2g5m h ARG 50 Ca -0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2g5m h ARG 50 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.61 2g5m h ARG 50 CO 0.18 0.85 -0.00 0.22 -1.07 0.00 0.00 179.97 180.15 2g5m h ASP 51 N 0.00 -0.00 -0.17 7.04 3.58 -0.57 -3.49 116.42 122.80 2g5m h ASP 51 Ca -0.01 -0.62 0.00 0.00 0.42 0.00 0.00 57.03 56.82 2g5m h ASP 51 Cb 1.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.60 2g5m h ASP 51 CO 0.11 0.81 0.00 0.61 -2.88 0.00 0.00 179.24 177.89 2g5m n GLY 52 N 1.67 1.02 0.16 -0.78 0.00 -0.07 -5.04 105.19 102.15 2g5m n GLY 52 Ca -0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 2g5m n GLY 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2g5m n ARG 53 N -0.12 0.03 -2.83 1.61 3.00 -1.19 -4.82 116.66 112.33 2g5m n ARG 53 Ca 0.00 0.01 -0.43 0.00 -0.00 0.00 0.00 57.85 57.43 2g5m n ARG 53 Cb 0.09 -0.47 -0.04 0.00 0.00 0.00 0.00 32.46 32.03 2g5m n ARG 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2g5m s ILE 54 N -1.10 4.44 0.38 5.15 1.01 -1.26 -5.01 121.20 124.80 2g5m s ILE 54 Ca -0.01 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.27 2g5m s ILE 54 Cb 0.00 -4.48 -0.01 0.00 0.01 0.00 0.00 42.46 37.99 2g5m s ILE 54 CO 0.02 -0.95 0.47 -1.10 0.00 0.00 0.00 174.94 173.38 2g5m s GLN 55 N 3.84 2.87 0.00 2.79 -0.21 -1.26 -4.68 119.66 123.00 2g5m s GLN 55 Ca 0.34 -1.22 0.16 0.00 0.02 0.00 0.00 55.36 54.67 2g5m s GLN 55 Cb -0.11 -2.68 0.86 0.00 1.00 0.00 0.00 33.01 32.08 2g5m s GLN 55 CO 0.23 -0.10 1.46 1.55 -2.12 0.00 0.00 175.29 176.32 2g5m n VAL 56 N -1.67 0.42 0.01 1.09 3.14 -1.26 -1.88 118.33 118.18 2g5m n VAL 56 Ca 0.03 0.11 0.04 0.00 -2.96 0.00 0.00 64.34 61.55 2g5m n VAL 56 Cb 0.59 -0.84 0.08 0.00 -1.06 0.00 0.00 33.84 32.61 2g5m n VAL 56 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2g5m n ASN 57 N -1.23 2.29 -4.96 6.55 4.05 -1.26 -4.49 115.26 116.21 2g5m n ASN 57 Ca 0.09 -1.79 -0.22 0.00 0.45 0.00 0.00 54.58 53.11 2g5m n ASN 57 Cb 0.12 -0.10 0.01 0.00 1.23 0.00 0.00 39.78 41.03 2g5m n ASN 57 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 2g5m s ASP 58 N -0.88 5.84 -0.02 1.20 1.01 -0.79 -4.78 116.67 118.25 2g5m s ASP 58 Ca 0.13 0.13 0.01 0.00 0.71 0.00 0.00 52.55 53.53 2g5m s ASP 58 Cb 0.07 -1.41 0.01 0.00 1.01 0.00 0.00 42.92 42.61 2g5m s ASP 58 CO 0.10 -0.65 -0.03 -0.22 0.21 0.00 0.00 175.17 174.58 2g5m s LEU 59 N -4.46 1.55 -0.83 1.23 2.96 -1.26 -1.42 118.68 116.45 2g5m s LEU 59 Ca 0.48 -0.07 -0.25 0.00 -0.22 0.00 0.00 54.13 54.06 2g5m s LEU 59 Cb -0.10 -0.28 0.04 0.00 0.50 0.00 0.00 46.19 46.35 2g5m s LEU 59 CO 0.36 -0.03 1.32 -0.76 -1.32 0.00 0.00 176.35 175.93 2g5m s LEU 60 N 0.53 3.35 -0.05 -0.68 1.43 -1.22 -1.84 118.68 120.21 2g5m s LEU 60 Ca -0.06 -0.83 -0.23 0.00 -1.03 0.00 0.00 54.13 51.99 2g5m s LEU 60 Cb -0.09 -2.56 -0.28 0.00 0.03 0.00 0.00 46.19 43.30 2g5m s LEU 60 CO -0.01 -1.70 0.95 0.58 0.23 0.00 0.00 176.35 176.40 2g5m h VAL 61 N 6.28 1.54 -2.72 -1.59 2.07 -1.61 -3.42 116.25 116.80 2g5m h VAL 61 Ca -0.11 -2.32 -0.09 0.00 0.82 0.00 0.00 66.70 65.00 2g5m h VAL 61 Cb 1.04 3.03 -0.18 0.00 -1.52 0.00 0.00 31.29 33.65 2g5m h VAL 61 CO 1.32 0.65 -0.07 -1.83 0.02 0.00 0.00 177.57 177.66 2g5m s GLU 62 N -2.69 0.88 0.24 1.57 -1.05 -1.07 -0.44 118.70 116.15 2g5m s GLU 62 Ca -0.15 -0.11 0.01 0.00 -0.15 0.00 0.00 54.97 54.57 2g5m s GLU 62 Cb 0.01 0.40 0.05 0.00 -0.44 0.00 0.00 34.13 34.15 2g5m s GLU 62 CO 0.80 -0.28 0.33 1.55 0.95 0.00 0.00 175.26 178.61 2g5m n VAL 63 N 0.89 0.00 -0.22 1.83 3.14 0.38 -0.34 118.33 124.01 2g5m n VAL 63 Ca -0.20 -0.62 0.00 0.00 -2.96 0.00 0.00 64.34 60.57 2g5m n VAL 63 Cb 0.58 -1.06 0.08 0.00 -1.06 0.00 0.00 33.84 32.37 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 -0.12 -0.55 -0.61 6.55 3.58 -1.63 -3.28 116.42 120.36 2g5m h ASP 64 Ca -0.11 0.19 -0.28 0.00 0.42 0.00 0.00 57.03 57.25 2g5m h ASP 64 Cb 0.44 0.38 -0.40 0.00 1.72 0.00 0.00 39.33 41.48 2g5m h ASP 64 CO 0.13 -0.20 -1.14 0.61 -2.88 0.00 0.00 179.24 175.76 2g5m n GLY 65 N -1.43 1.79 3.42 -0.78 0.00 -1.26 -4.97 105.19 101.96 2g5m n GLY 65 Ca 0.08 -1.16 0.01 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.62 -0.97 0.12 2.61 2.01 -1.24 -5.14 115.64 109.41 2g5m s THR 66 Ca 0.27 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 2g5m s THR 66 Cb 0.36 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.81 2g5m s THR 66 CO -0.02 0.00 1.08 -0.44 -0.69 0.00 0.00 174.62 174.55 2g5m s SER 67 N 2.87 7.29 -0.03 3.53 0.01 -1.26 -0.47 113.70 125.65 2g5m s SER 67 Ca 0.05 1.96 -0.01 0.00 1.31 0.00 0.00 55.95 59.26 2g5m s SER 67 Cb -0.13 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.50 2g5m s SER 67 CO -0.20 -0.24 -0.03 -0.07 0.41 0.00 0.00 173.24 173.12 2g5m h LEU 68 N 5.73 0.00 0.00 2.44 -0.00 -1.04 -3.48 115.31 118.97 2g5m h LEU 68 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2g5m h LEU 68 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2g5m h LEU 68 CO 0.74 0.13 0.00 0.52 -0.00 0.00 0.00 178.44 179.84 2g5m n VAL 69 N -2.67 0.00 0.00 1.22 0.31 -0.72 -4.04 118.33 112.43 2g5m n VAL 69 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2g5m n VAL 69 Cb 0.04 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 0.00 -0.94 1.08 2.92 0.00 -1.25 -4.17 105.19 102.83 2g5m n GLY 70 Ca 0.00 0.62 -0.07 0.00 0.00 0.00 0.00 46.02 46.58 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 -2.30 1.61 0.24 -1.26 -4.50 118.33 112.12 2g5m n VAL 71 Ca 0.00 -0.58 -0.31 0.00 -2.04 0.00 0.00 64.34 61.41 2g5m n VAL 71 Cb 0.00 -0.58 -0.01 0.00 -1.47 0.00 0.00 33.84 31.77 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 -0.44 4.67 0.35 3.34 -4.23 -1.26 -4.76 115.64 113.31 2g5m s THR 72 Ca 0.12 0.91 0.03 0.00 -1.18 0.00 0.00 61.69 61.57 2g5m s THR 72 Cb -0.01 -3.79 0.22 0.00 1.34 0.00 0.00 72.50 70.26 2g5m s THR 72 CO 0.08 -0.84 1.96 -0.61 -0.54 0.00 0.00 174.62 174.66 2g5m h GLN 73 N 0.46 0.71 -0.67 3.99 4.15 -1.96 -1.51 115.11 120.28 2g5m h GLN 73 Ca -0.46 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 58.85 2g5m h GLN 73 Cb 1.19 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.71 2g5m h GLN 73 CO 0.62 0.55 0.28 0.77 -1.93 0.00 0.00 178.83 179.12 2g5m h SER 74 N 0.72 0.90 -0.07 -0.69 0.02 -1.99 -0.76 113.55 111.68 2g5m h SER 74 Ca 0.18 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2g5m h SER 74 Cb 0.07 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 2g5m h SER 74 CO -0.03 0.79 0.02 0.15 -1.14 0.00 0.00 176.83 176.63 2g5m h PHE 75 N 0.97 0.11 -0.64 3.45 3.04 -1.67 -0.98 116.94 121.22 2g5m h PHE 75 Ca 0.23 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 2g5m h PHE 75 Cb 0.17 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 2g5m h PHE 75 CO 0.01 0.26 0.35 0.00 -2.02 0.00 0.00 178.31 176.91 2g5m h ALA 76 N 0.84 0.82 -0.22 2.41 0.00 -1.09 0.66 119.26 122.67 2g5m h ALA 76 Ca 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2g5m h ALA 76 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2g5m h ALA 76 CO -0.00 0.34 0.04 0.00 0.00 0.00 0.00 179.25 179.62 2g5m h ALA 77 N 1.17 1.66 0.00 0.00 0.00 -0.98 -2.33 119.26 118.77 2g5m h ALA 77 Ca 0.22 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 2g5m h ALA 77 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2g5m h ALA 77 CO -0.04 0.26 -1.02 1.03 0.00 0.00 0.00 179.25 179.49 2g5m h SER 78 N 0.31 0.00 0.32 0.00 0.87 -0.25 -3.30 113.55 111.49 2g5m h SER 78 Ca 0.08 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.49 2g5m h SER 78 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2g5m h SER 78 CO -0.00 0.85 -0.57 1.62 -0.53 0.00 0.00 176.83 178.19 2g5m h VAL 79 N 0.00 1.37 0.00 2.23 3.04 -0.34 -0.60 116.25 121.95 2g5m h VAL 79 Ca -0.06 -1.90 0.00 0.00 -1.01 0.00 0.00 66.70 63.73 2g5m h VAL 79 Cb 1.70 1.93 0.00 0.00 -2.01 0.00 0.00 31.29 32.91 2g5m h VAL 79 CO 0.10 0.56 0.00 -0.07 -1.01 0.00 0.00 177.57 177.15 2g5m h LEU 80 N 0.20 0.00 0.00 3.16 3.38 -1.62 -1.88 115.31 118.55 2g5m h LEU 80 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2g5m h LEU 80 Cb 1.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2g5m h LEU 80 CO 0.09 0.00 -1.83 0.54 0.09 0.00 0.00 178.44 177.33 2g5m n ARG 81 N -2.59 0.65 0.17 1.13 1.74 -0.36 -4.14 116.66 113.25 2g5m n ARG 81 Ca 0.01 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.19 2g5m n ARG 81 Cb 0.26 -1.63 0.09 0.00 -1.02 0.00 0.00 32.46 30.15 2g5m n ARG 81 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2g5m h ASN 82 N 0.00 0.00 -3.78 0.55 2.35 -0.76 -3.46 115.58 110.48 2g5m h ASN 82 Ca -0.19 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.10 2g5m h ASN 82 Cb 1.49 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.93 2g5m h ASN 82 CO 0.02 0.15 0.22 0.42 -1.65 0.00 0.00 177.43 176.59 2g5m s THR 83 N -3.17 2.85 0.49 2.81 -4.23 -0.75 -5.09 115.64 108.56 2g5m s THR 83 Ca 0.04 -0.12 -0.08 0.00 -1.18 0.00 0.00 61.69 60.35 2g5m s THR 83 Cb 0.07 -3.20 0.12 0.00 1.34 0.00 0.00 72.50 70.83 2g5m s THR 83 CO 0.72 -0.21 0.40 0.29 -0.54 0.00 0.00 174.62 175.28 2g5m n LYS 84 N -2.81 -2.09 0.10 3.99 4.76 -1.26 -4.96 118.16 115.90 2g5m n LYS 84 Ca 0.07 -0.65 -0.04 0.00 -2.87 0.00 0.00 58.31 54.81 2g5m n LYS 84 Cb 0.59 -0.65 0.05 0.00 -1.84 0.00 0.00 35.03 33.19 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 -1.48 0.05 -7.00 0.72 0.00 -1.98 -3.41 103.07 89.97 2g5m h GLY 85 Ca -0.16 -0.08 -0.53 0.00 0.00 0.00 0.00 47.33 46.56 2g5m h GLY 85 CO 0.10 0.07 -0.79 -1.60 0.00 0.00 0.00 176.54 174.33 2g5m s ARG 86 N -3.29 1.25 0.02 4.80 3.52 -1.26 -4.27 118.95 119.71 2g5m s ARG 86 Ca -0.01 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.23 2g5m s ARG 86 Cb 0.11 -1.81 -0.01 0.00 -1.56 0.00 0.00 34.95 31.68 2g5m s ARG 86 CO 0.79 -0.41 -0.06 0.14 -0.81 0.00 0.00 175.30 174.96 2g5m s VAL 87 N 1.72 0.40 -0.13 7.11 -7.23 -1.26 -5.08 120.40 115.92 2g5m s VAL 87 Ca 0.02 -0.59 -0.18 0.00 -1.81 0.00 0.00 61.98 59.42 2g5m s VAL 87 Cb -0.15 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 2g5m s VAL 87 CO -0.07 -0.14 0.48 -0.13 -0.31 0.00 0.00 175.10 174.93 2g5m s ARG 88 N -0.78 4.32 0.27 4.82 0.52 -1.26 -4.09 118.95 122.75 2g5m s ARG 88 Ca -0.04 0.45 0.07 0.00 -0.52 0.00 0.00 55.73 55.68 2g5m s ARG 88 Cb -0.06 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 2g5m s ARG 88 CO -0.00 0.11 0.21 -0.06 0.02 0.00 0.00 175.30 175.59 2g5m s PHE 89 N 0.78 3.07 -0.38 -0.53 0.08 0.94 -1.59 117.98 120.35 2g5m s PHE 89 Ca 0.26 -0.15 -0.07 0.00 0.12 0.00 0.00 56.93 57.09 2g5m s PHE 89 Cb -0.15 -1.48 0.06 0.00 -0.57 0.00 0.00 43.02 40.88 2g5m s PHE 89 CO 0.10 0.45 0.17 -1.64 -0.10 0.00 0.00 175.22 174.21 2g5m s MET 90 N -3.87 2.52 0.02 0.44 -1.94 0.53 -0.04 119.30 116.96 2g5m s MET 90 Ca 0.34 -1.38 -0.22 0.00 -1.71 0.00 0.00 55.69 52.73 2g5m s MET 90 Cb -0.07 -3.59 -0.06 0.00 2.01 0.00 0.00 34.83 33.12 2g5m s MET 90 CO 0.25 -0.83 0.65 0.42 -0.01 0.00 0.00 175.02 175.50 2g5m s ILE 91 N 1.37 4.82 -0.28 2.53 1.09 -0.23 -1.51 121.20 129.00 2g5m s ILE 91 Ca 0.01 1.37 0.01 0.00 -1.10 0.00 0.00 60.65 60.94 2g5m s ILE 91 Cb -0.21 -3.99 0.08 0.00 -1.06 0.00 0.00 42.46 37.28 2g5m s ILE 91 CO 0.01 0.42 0.03 -0.83 -0.10 0.00 0.00 174.94 174.47 2g5m s GLY 92 N -0.27 1.34 0.06 6.18 0.00 -0.77 -0.47 107.32 113.39 2g5m s GLY 92 Ca 0.33 -1.72 0.02 0.00 0.00 0.00 0.00 44.72 43.35 2g5m s GLY 92 CO 0.19 1.20 0.09 1.09 0.00 0.00 0.00 173.10 175.67 2g5m s ARG 93 N 1.38 2.96 -1.17 2.90 1.70 -1.09 -4.22 118.95 121.41 2g5m s ARG 93 Ca 0.04 -0.63 -0.10 0.00 -0.47 0.00 0.00 55.73 54.57 2g5m s ARG 93 Cb -0.18 -2.78 0.23 0.00 -0.57 0.00 0.00 34.95 31.65 2g5m s ARG 93 CO -0.13 0.59 1.38 -1.91 -1.08 0.00 0.00 175.30 174.14 2g5m n GLU 94 N 0.61 3.62 0.40 3.89 2.13 -1.26 -0.78 120.64 129.24 2g5m n GLU 94 Ca -0.09 -4.14 -0.17 0.00 0.66 0.00 0.00 57.16 53.42 2g5m n GLU 94 Cb 0.52 -2.77 -0.08 0.00 0.27 0.00 0.00 31.44 29.38 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 6.55 -0.99 -7.35 5.31 2.43 -1.96 -3.46 114.38 114.92 2g5m h ARG 95 Ca 0.26 0.07 -0.50 0.00 -0.81 0.00 0.00 59.98 58.99 2g5m h ARG 95 Cb 0.81 0.22 0.11 0.00 -0.42 0.00 0.00 29.97 30.69 2g5m h ARG 95 CO 1.22 -0.65 0.34 -1.25 -1.51 0.00 0.00 179.97 178.12 2g5m s PRO 96 N -5.12 2.45 0.00 0.20 0.04 -1.26 -4.71 135.00 126.59 2g5m s PRO 96 Ca -0.16 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2g5m s PRO 96 Cb 0.02 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2g5m s PRO 96 CO 0.49 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.51 2g5m n GLY 97 N -1.79 2.35 0.66 0.56 0.00 -1.26 -4.88 105.19 100.83 2g5m n GLY 97 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2g5m n GLY 97 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2g5m n GLU 98 N 0.00 0.96 0.17 1.61 0.28 -1.26 -4.19 120.64 118.22 2g5m n GLU 98 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 2g5m n GLU 98 Cb 0.00 -1.33 -0.08 0.00 1.43 0.00 0.00 31.44 31.46 2g5m n GLU 98 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2g5m h GLN 99 N 0.05 -0.42 -3.35 3.44 4.20 -1.96 -3.47 115.11 113.59 2g5m h GLN 99 Ca 0.00 0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 2g5m h GLN 99 Cb 0.64 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 2g5m h GLN 99 CO 0.00 -0.12 0.10 -1.12 -0.67 0.00 0.00 178.83 177.03 2g5m s SER 100 N -5.03 0.15 -1.08 1.46 0.01 -1.26 -4.95 113.70 103.00 2g5m s SER 100 Ca -0.14 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2g5m s SER 100 Cb 0.02 0.75 0.00 0.00 0.21 0.00 0.00 66.02 67.00 2g5m s SER 100 CO 0.55 -1.46 0.00 1.21 0.41 0.00 0.00 173.24 173.95 2g5m n GLU 101 N -0.50 -0.98 -3.39 12.44 2.13 -1.26 -4.98 120.64 124.09 2g5m n GLU 101 Ca -0.04 0.82 -0.35 0.00 0.66 0.00 0.00 57.16 58.24 2g5m n GLU 101 Cb 0.60 -4.84 -0.06 0.00 0.27 0.00 0.00 31.44 27.41 2g5m n GLU 101 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2g5m s VAL 102 N -2.24 4.89 0.00 6.31 -7.23 -1.26 -3.13 120.40 117.74 2g5m s VAL 102 Ca 0.00 0.79 0.00 0.00 -1.81 0.00 0.00 61.98 60.96 2g5m s VAL 102 Cb 0.00 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.21 2g5m s VAL 102 CO 0.00 0.26 0.00 0.00 -0.31 0.00 0.00 175.10 175.05 2g5m n ALA 103 N 0.86 0.00 0.12 1.32 0.00 -1.26 -3.39 120.51 118.15 2g5m n ALA 103 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.43 2g5m n ALA 103 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 2g5m n ALA 103 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2g5m h GLN 104 N 0.00 0.00 0.00 0.00 4.15 -2.01 -3.50 115.11 113.74 2g5m h GLN 104 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.51 2g5m h GLN 104 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 2g5m h GLN 104 CO 0.00 0.24 -0.12 1.28 -1.93 0.00 0.00 178.83 178.31 2g5m n LEU 105 N -2.99 0.00 0.03 -2.39 4.32 -1.18 -4.55 117.00 110.24 2g5m n LEU 105 Ca -0.01 0.35 -0.02 0.00 -0.02 0.00 0.00 56.01 56.30 2g5m n LEU 105 Cb 0.69 -0.98 -0.01 0.00 -1.62 0.00 0.00 43.42 41.50 2g5m n LEU 105 CO 0.40 -1.77 0.09 0.40 -1.22 0.00 0.00 177.39 175.29 2g5m h ILE 106 N -0.30 0.00 -5.32 -0.08 1.08 -1.94 -3.45 117.51 107.50 2g5m h ILE 106 Ca 0.01 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2g5m h ILE 106 Cb 0.30 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.99 2g5m h ILE 106 CO 0.00 0.00 -1.14 1.67 -0.69 0.00 0.00 178.15 177.99 2g5m n GLN 107 N -3.65 -3.39 -2.24 2.37 -0.06 -1.26 -4.79 117.38 104.36 2g5m n GLN 107 Ca -0.02 2.70 -0.39 0.00 -2.00 0.00 0.00 57.00 57.30 2g5m n GLN 107 Cb 0.05 -4.40 -0.02 0.00 -4.06 0.00 0.00 30.24 21.82 2g5m n GLN 107 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2g5m n GLN 108 N 1.32 2.63 -0.01 3.69 3.00 -1.26 -4.57 117.38 122.18 2g5m n GLN 108 Ca -0.16 -2.89 -0.08 0.00 -0.01 0.00 0.00 57.00 53.87 2g5m n GLN 108 Cb 0.30 -3.49 -0.13 0.00 0.00 0.00 0.00 30.24 26.92 2g5m n GLN 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2g5m h THR 109 N 5.44 0.87 -0.13 5.09 1.03 -2.02 -3.34 112.91 119.84 2g5m h THR 109 Ca 0.40 -2.68 0.00 0.00 -0.01 0.00 0.00 66.41 64.12 2g5m h THR 109 Cb 0.84 2.41 0.00 0.00 -1.07 0.00 0.00 68.15 70.33 2g5m h THR 109 CO 1.49 0.49 0.00 0.18 -0.01 0.00 0.00 175.52 177.68 2g5m n LEU 110 N -3.05 1.05 -3.63 0.00 4.77 -1.26 -4.27 117.00 110.61 2g5m n LEU 110 Ca -0.15 -0.53 -0.29 0.00 -0.03 0.00 0.00 56.01 55.01 2g5m n LEU 110 Cb 1.03 -0.22 -0.15 0.00 -2.33 0.00 0.00 43.42 41.75 2g5m n LEU 110 CO 0.45 0.22 -0.33 -0.70 -1.33 0.00 0.00 177.39 175.70 2g5m s GLU 111 N -1.68 0.50 -0.05 3.23 2.12 -1.26 -4.93 118.70 116.64 2g5m s GLU 111 Ca 0.09 -0.90 0.07 0.00 0.36 0.00 0.00 54.97 54.59 2g5m s GLU 111 Cb 0.06 -1.60 0.11 0.00 0.26 0.00 0.00 34.13 32.95 2g5m s GLU 111 CO 0.05 -1.02 0.98 0.00 -0.54 0.00 0.00 175.26 174.72 2g5m n GLN 112 N 4.91 1.12 0.00 4.30 -0.00 -1.26 -4.96 117.38 121.48 2g5m n GLN 112 Ca -0.02 -1.60 0.02 0.00 -0.00 0.00 0.00 57.00 55.40 2g5m n GLN 112 Cb 0.41 -0.97 0.12 0.00 -0.00 0.00 0.00 30.24 29.81 2g5m n GLN 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45