#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 -0.09 -3.67 1.61 -0.00 -1.91 -3.41 115.15 107.68 2g5m h HIS 2 Ca 0.00 -0.00 -0.67 0.00 -0.00 0.00 0.00 60.37 59.69 2g5m h HIS 2 Cb 0.00 0.03 -0.22 0.00 -0.00 0.00 0.00 27.41 27.23 2g5m h HIS 2 CO 0.00 -0.06 -0.54 0.00 -0.00 0.00 0.00 177.93 177.33 2g5m s MET 3 N -1.85 3.38 -0.83 5.26 0.00 -1.26 -3.07 119.30 120.94 2g5m s MET 3 Ca -0.01 -0.69 -0.19 0.00 0.00 0.00 0.00 55.69 54.79 2g5m s MET 3 Cb 0.00 -3.62 0.13 0.00 0.00 0.00 0.00 34.83 31.34 2g5m s MET 3 CO 0.04 -0.42 1.00 -1.21 0.00 0.00 0.00 175.02 174.44 2g5m s GLU 4 N 1.64 3.45 -1.05 3.16 2.02 0.14 -4.87 118.70 123.20 2g5m s GLU 4 Ca 0.05 -1.65 -0.17 0.00 0.02 0.00 0.00 54.97 53.21 2g5m s GLU 4 Cb -0.17 -4.67 0.14 0.00 0.10 0.00 0.00 34.13 29.53 2g5m s GLU 4 CO 0.07 -1.69 1.28 -0.51 0.02 0.00 0.00 175.26 174.44 2g5m s LEU 5 N 2.57 4.90 -0.07 1.80 2.01 -1.25 -0.64 118.68 128.00 2g5m s LEU 5 Ca 0.26 -2.37 -0.01 0.00 0.01 0.00 0.00 54.13 52.03 2g5m s LEU 5 Cb -0.10 -2.42 -0.03 0.00 0.01 0.00 0.00 46.19 43.65 2g5m s LEU 5 CO -0.04 -0.98 -0.01 0.72 1.01 0.00 0.00 176.35 177.05 2g5m s PHE 6 N 2.50 3.12 0.11 0.29 -0.12 -0.07 -4.90 117.98 118.90 2g5m s PHE 6 Ca 0.38 0.15 -0.29 0.00 -0.05 0.00 0.00 56.93 57.12 2g5m s PHE 6 Cb -0.03 -1.76 -0.06 0.00 -0.63 0.00 0.00 43.02 40.54 2g5m s PHE 6 CO -0.05 0.45 0.94 -1.25 -0.05 0.00 0.00 175.22 175.26 2g5m s PRO 7 N -1.01 4.68 -0.25 1.99 0.04 -1.26 -0.54 135.00 138.65 2g5m s PRO 7 Ca 0.14 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 2g5m s PRO 7 Cb -0.11 -3.37 0.03 0.00 0.04 0.00 0.00 34.50 31.08 2g5m s PRO 7 CO 0.04 0.23 -0.07 0.08 0.04 0.00 0.00 177.00 177.32 2g5m s VAL 8 N -0.06 2.80 -0.42 -0.36 1.01 0.12 -4.94 120.40 118.55 2g5m s VAL 8 Ca 0.46 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 2g5m s VAL 8 Cb -0.23 -2.43 0.07 0.00 0.00 0.00 0.00 36.38 33.79 2g5m s VAL 8 CO 0.29 0.19 0.26 -0.70 0.00 0.00 0.00 175.10 175.15 2g5m s GLU 9 N 1.31 2.68 0.16 2.72 2.12 -1.26 0.05 118.70 126.48 2g5m s GLU 9 Ca -0.00 -1.38 0.09 0.00 0.36 0.00 0.00 54.97 54.04 2g5m s GLU 9 Cb -0.17 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.37 2g5m s GLU 9 CO -0.05 -0.92 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.04 2g5m s LEU 10 N 1.47 2.41 0.03 2.70 1.43 -0.94 -4.92 118.68 120.86 2g5m s LEU 10 Ca 0.03 -0.83 0.08 0.00 -1.03 0.00 0.00 54.13 52.38 2g5m s LEU 10 Cb -0.22 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 2g5m s LEU 10 CO 0.03 0.03 -0.23 -0.70 0.23 0.00 0.00 176.35 175.70 2g5m s GLU 11 N -2.58 1.69 0.65 1.70 2.12 -1.26 -2.30 118.70 118.72 2g5m s GLU 11 Ca 0.15 -0.97 -0.12 0.00 0.36 0.00 0.00 54.97 54.39 2g5m s GLU 11 Cb -0.07 -1.77 -0.01 0.00 0.26 0.00 0.00 34.13 32.54 2g5m s GLU 11 CO 0.07 0.46 1.05 0.15 -0.54 0.00 0.00 175.26 176.45 2g5m s LYS 12 N -1.00 3.18 0.88 4.30 1.02 0.62 -4.61 119.74 124.12 2g5m s LYS 12 Ca 0.09 0.97 -0.11 0.00 0.02 0.00 0.00 55.97 56.94 2g5m s LYS 12 Cb -0.09 -2.02 0.17 0.00 -0.52 0.00 0.00 37.83 35.36 2g5m s LYS 12 CO 0.01 -0.91 1.21 -0.51 -0.92 0.00 0.00 175.35 174.24 2g5m s ASP 13 N -3.62 3.61 0.37 2.83 1.01 0.11 -4.92 116.67 116.07 2g5m s ASP 13 Ca 0.59 0.13 0.19 0.00 0.71 0.00 0.00 52.55 54.17 2g5m s ASP 13 Cb -0.14 -0.32 0.62 0.00 1.01 0.00 0.00 42.92 44.10 2g5m s ASP 13 CO 0.50 -2.40 1.70 0.28 0.21 0.00 0.00 175.17 175.46 2g5m h SER 14 N -1.26 0.00 0.84 0.27 0.02 -1.99 -2.85 113.55 108.58 2g5m h SER 14 Ca -0.42 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.29 2g5m h SER 14 Cb 1.25 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 2g5m h SER 14 CO 0.41 0.36 -1.18 -0.08 -1.14 0.00 0.00 176.83 175.20 2g5m h GLU 15 N 0.00 0.04 0.00 3.45 4.57 -1.98 -3.50 114.58 117.17 2g5m h GLU 15 Ca -0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2g5m h GLU 15 Cb 0.95 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2g5m h GLU 15 CO 0.05 0.94 0.00 0.41 -1.18 0.00 0.00 179.01 179.23 2g5m n GLY 16 N 1.42 0.97 2.81 1.92 0.00 -1.08 -5.03 105.19 106.19 2g5m n GLY 16 Ca -0.05 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 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 1.12 -1.41 0.99 1.43 -1.26 0.06 118.68 119.60 2g5m s LEU 17 Ca 0.00 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.54 2g5m s LEU 17 Cb 0.00 -0.66 0.06 0.00 0.03 0.00 0.00 46.19 45.62 2g5m s LEU 17 CO 0.00 -0.22 2.51 0.61 0.23 0.00 0.00 176.35 179.49 2g5m n GLY 18 N 5.02 4.89 3.59 -3.19 0.00 -1.26 -4.80 105.19 109.44 2g5m n GLY 18 Ca -0.10 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 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 0.02 0.00 0.07 -0.61 -4.36 -1.26 -0.56 121.20 114.50 2g5m s ILE 19 Ca 0.57 -1.41 -0.15 0.00 -0.26 0.00 0.00 60.65 59.40 2g5m s ILE 19 Cb 0.18 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.47 2g5m s ILE 19 CO -0.08 0.00 0.36 -0.44 0.24 0.00 0.00 174.94 175.02 2g5m s SER 20 N -3.10 -0.19 0.25 4.36 0.01 0.17 -4.85 113.70 110.35 2g5m s SER 20 Ca 0.24 -0.21 0.09 0.00 1.31 0.00 0.00 55.95 57.38 2g5m s SER 20 Cb -0.01 0.42 -0.05 0.00 0.21 0.00 0.00 66.02 66.58 2g5m s SER 20 CO 0.13 -0.72 -0.14 0.27 0.41 0.00 0.00 173.24 173.19 2g5m s ILE 21 N -3.05 1.94 -0.05 1.44 -4.36 -1.26 0.19 121.20 116.04 2g5m s ILE 21 Ca -0.02 -2.25 -0.03 0.00 -0.26 0.00 0.00 60.65 58.10 2g5m s ILE 21 Cb 0.01 -2.23 0.03 0.00 1.25 0.00 0.00 42.46 41.52 2g5m s ILE 21 CO -0.07 -0.46 0.13 -0.51 0.24 0.00 0.00 174.94 174.27 2g5m s ILE 22 N -2.84 -0.03 -0.29 8.37 1.10 0.75 -4.54 121.20 123.72 2g5m s ILE 22 Ca 0.26 0.12 -0.11 0.00 -0.51 0.00 0.00 60.65 60.41 2g5m s ILE 22 Cb -0.01 -0.20 -0.04 0.00 0.15 0.00 0.00 42.46 42.36 2g5m s ILE 22 CO 0.10 0.05 0.19 -0.83 -2.11 0.00 0.00 174.94 172.34 2g5m s GLY 23 N 0.77 1.92 0.10 1.50 0.00 -1.26 -0.48 107.32 109.88 2g5m s GLY 23 Ca -0.06 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 43.53 2g5m s GLY 23 CO -0.04 0.67 -0.09 1.06 0.00 0.00 0.00 173.10 174.70 2g5m s MET 24 N 1.74 0.83 0.00 2.90 -1.94 -0.07 -4.96 119.30 117.80 2g5m s MET 24 Ca 0.07 -1.20 0.00 0.00 -1.71 0.00 0.00 55.69 52.85 2g5m s MET 24 Cb -0.16 -0.42 0.00 0.00 2.01 0.00 0.00 34.83 36.26 2g5m s MET 24 CO 0.10 0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.57 2g5m n GLY 25 N 0.39 0.52 2.83 -0.03 0.00 -1.26 0.30 105.19 107.93 2g5m n GLY 25 Ca -0.15 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.40 1.99 -1.19 4.61 0.00 -0.22 -4.94 121.76 120.61 2g5m s ALA 26 Ca 0.00 -1.96 -0.07 0.00 0.00 0.00 0.00 51.96 49.92 2g5m s ALA 26 Cb 0.00 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 2g5m s ALA 26 CO 0.00 -1.68 2.87 0.41 0.00 0.00 0.00 175.76 177.37 2g5m n GLY 27 N 4.65 4.37 3.54 0.00 0.00 -1.26 -2.44 105.19 114.04 2g5m n GLY 27 Ca 0.00 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 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 0.65 3.19 -1.37 4.61 0.00 -1.26 -4.86 121.76 122.72 2g5m s ALA 28 Ca 0.64 -1.08 0.19 0.00 0.00 0.00 0.00 51.96 51.70 2g5m s ALA 28 Cb 0.22 -3.68 0.93 0.00 0.00 0.00 0.00 23.12 20.59 2g5m s ALA 28 CO -0.08 -2.24 1.58 -3.47 0.00 0.00 0.00 175.76 171.55 2g5m n ASP 29 N 7.30 0.00 -1.04 0.00 2.03 -1.26 0.32 116.55 123.90 2g5m n ASP 29 Ca 0.03 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2g5m n ASP 29 Cb 0.48 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 -1.31 0.68 -0.47 -0.67 0.00 -1.26 -4.50 117.12 109.58 2g5m n MET 30 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.78 2g5m n MET 30 Cb 0.16 -1.16 0.00 0.00 0.00 0.00 0.00 33.22 32.22 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 0.72 0.72 0.43 3.17 0.00 -1.25 -4.95 105.19 104.03 2g5m n GLY 31 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.33 -3.20 0.99 4.77 -0.95 -4.99 117.00 113.95 2g5m n LEU 32 Ca 0.00 0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.82 2g5m n LEU 32 Cb 0.00 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2g5m n LEU 32 CO 0.00 -0.49 -0.05 -0.62 -1.33 0.00 0.00 177.39 174.89 2g5m n GLU 33 N -2.83 -3.21 -2.79 3.23 1.02 0.15 -4.86 120.64 111.35 2g5m n GLU 33 Ca -0.02 0.48 -0.44 0.00 -0.02 0.00 0.00 57.16 57.17 2g5m n GLU 33 Cb 0.06 -5.17 0.00 0.00 -0.02 0.00 0.00 31.44 26.32 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 -3.56 3.39 -3.64 3.49 2.85 -1.02 -3.44 118.16 116.22 2g5m n LYS 34 Ca -0.03 -3.72 -0.22 0.00 -1.05 0.00 0.00 58.31 53.28 2g5m n LYS 34 Cb 0.55 -3.07 -0.02 0.00 -0.65 0.00 0.00 35.03 31.84 2g5m n LYS 34 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2g5m s LEU 35 N 1.54 3.19 -0.10 -5.58 2.96 -1.25 -1.06 118.68 118.38 2g5m s LEU 35 Ca 0.43 -0.90 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2g5m s LEU 35 Cb 0.00 -1.77 0.05 0.00 0.50 0.00 0.00 46.19 44.97 2g5m s LEU 35 CO 0.01 -0.80 0.14 -0.83 -1.32 0.00 0.00 176.35 173.54 2g5m s GLY 36 N -4.19 0.12 -0.90 7.98 0.00 0.15 -4.42 107.32 106.06 2g5m s GLY 36 Ca 0.45 0.34 -0.15 0.00 0.00 0.00 0.00 44.72 45.36 2g5m s GLY 36 CO 0.27 1.67 0.92 -0.42 0.00 0.00 0.00 173.10 175.54 2g5m s ILE 37 N 2.25 5.39 0.75 0.90 -1.09 -1.26 -0.89 121.20 127.25 2g5m s ILE 37 Ca 0.04 -2.32 -0.10 0.00 -2.23 0.00 0.00 60.65 56.04 2g5m s ILE 37 Cb -0.13 -4.58 0.06 0.00 -1.58 0.00 0.00 42.46 36.23 2g5m s ILE 37 CO -0.06 -1.20 1.10 -0.36 -1.23 0.00 0.00 174.94 173.20 2g5m s PHE 38 N 0.78 3.02 0.23 3.97 0.40 0.37 -2.79 117.98 123.96 2g5m s PHE 38 Ca 0.24 0.71 -0.30 0.00 -0.60 0.00 0.00 56.93 56.98 2g5m s PHE 38 Cb -0.08 -3.30 -0.09 0.00 0.51 0.00 0.00 43.02 40.06 2g5m s PHE 38 CO -0.09 -1.52 0.96 0.08 0.70 0.00 0.00 175.22 175.35 2g5m s VAL 39 N -3.42 4.04 -0.25 -0.44 1.01 0.70 -0.17 120.40 121.86 2g5m s VAL 39 Ca 0.60 2.02 -0.05 0.00 0.00 0.00 0.00 61.98 64.55 2g5m s VAL 39 Cb -0.11 -4.28 -0.14 0.00 0.00 0.00 0.00 36.38 31.85 2g5m s VAL 39 CO 0.48 0.47 -0.27 1.17 0.00 0.00 0.00 175.10 176.95 2g5m n LYS 40 N 1.57 0.59 -3.68 2.72 4.81 0.13 -4.50 118.16 119.80 2g5m n LYS 40 Ca -0.02 0.19 -0.10 0.00 -0.87 0.00 0.00 58.31 57.51 2g5m n LYS 40 Cb 0.47 -1.47 -0.04 0.00 0.02 0.00 0.00 35.03 34.01 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 -2.49 0.05 -0.31 3.15 -1.32 -1.16 -4.96 115.64 108.61 2g5m s THR 41 Ca -0.35 -0.65 -0.01 0.00 -1.21 0.00 0.00 61.69 59.47 2g5m s THR 41 Cb 0.11 -1.35 0.13 0.00 -1.51 0.00 0.00 72.50 69.87 2g5m s THR 41 CO 0.52 -0.21 0.24 0.54 -2.21 0.00 0.00 174.62 173.50 2g5m s VAL 42 N -3.84 -0.22 0.12 5.08 0.11 -1.26 -0.65 120.40 119.74 2g5m s VAL 42 Ca 0.06 -0.77 -0.31 0.00 -2.93 0.00 0.00 61.98 58.03 2g5m s VAL 42 Cb 0.01 -0.96 -0.10 0.00 -1.53 0.00 0.00 36.38 33.80 2g5m s VAL 42 CO -0.08 -0.63 1.71 -0.89 -3.33 0.00 0.00 175.10 171.88 2g5m s THR 43 N 2.03 2.67 0.35 5.04 2.01 0.27 -4.77 115.64 123.24 2g5m s THR 43 Ca 0.11 0.27 0.07 0.00 0.31 0.00 0.00 61.69 62.46 2g5m s THR 43 Cb -0.16 -3.17 0.31 0.00 0.01 0.00 0.00 72.50 69.49 2g5m s THR 43 CO -0.27 0.01 1.90 -0.33 -0.69 0.00 0.00 174.62 175.24 2g5m h GLU 44 N 7.97 0.72 0.00 4.92 3.07 -1.96 0.08 114.58 129.37 2g5m h GLU 44 Ca -0.44 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2g5m h GLU 44 Cb 1.21 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 2g5m h GLU 44 CO 0.94 0.47 0.00 0.41 -1.40 0.00 0.00 179.01 179.43 2g5m n GLY 45 N -1.44 -0.72 3.68 -3.84 0.00 -1.26 -4.39 105.19 97.21 2g5m n GLY 45 Ca 0.15 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.05 1.77 0.36 -0.02 0.00 0.02 -4.96 107.32 102.44 2g5m s GLY 46 Ca 0.32 -1.73 0.06 0.00 0.00 0.00 0.00 44.72 43.38 2g5m s GLY 46 CO 0.26 -1.74 1.95 0.00 0.00 0.00 0.00 173.10 173.58 2g5m h ALA 47 N 1.76 1.70 -0.37 3.20 0.00 -1.86 -1.77 119.26 121.92 2g5m h ALA 47 Ca -0.44 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2g5m h ALA 47 Cb 1.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2g5m h ALA 47 CO 0.62 0.18 0.07 0.00 0.00 0.00 0.00 179.25 180.12 2g5m h ALA 48 N 1.60 1.44 0.21 0.00 0.00 -1.81 0.47 119.26 121.17 2g5m h ALA 48 Ca 0.32 -0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.73 2g5m h ALA 48 Cb 0.27 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.93 2g5m h ALA 48 CO -0.11 0.41 -1.56 1.25 0.00 0.00 0.00 179.25 179.24 2g5m h HIS 49 N 0.54 0.81 -0.85 0.00 6.17 -1.51 -0.28 115.15 120.04 2g5m h HIS 49 Ca 0.12 -0.59 -0.02 0.00 0.71 0.00 0.00 60.37 60.59 2g5m h HIS 49 Cb 0.23 -0.03 -0.04 0.00 2.52 0.00 0.00 27.41 30.09 2g5m h HIS 49 CO 0.01 1.56 0.44 0.00 0.71 0.00 0.00 177.93 180.65 2g5m h ARG 50 N 0.12 1.20 0.01 5.26 3.08 -0.87 -3.24 114.38 119.95 2g5m h ARG 50 Ca -0.27 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 2g5m h ARG 50 Cb 2.12 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.94 2g5m h ARG 50 CO 0.23 0.90 -0.00 0.22 -1.07 0.00 0.00 179.97 180.24 2g5m h ASP 51 N 1.20 -0.01 0.00 7.04 1.82 -0.16 -3.49 116.42 122.81 2g5m h ASP 51 Ca 0.30 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 2g5m h ASP 51 Cb 0.07 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.08 2g5m h ASP 51 CO -0.04 0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.20 2g5m n GLY 52 N 1.19 0.79 0.07 -0.78 0.00 -0.12 -5.02 105.19 101.33 2g5m n GLY 52 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2g5m n GLY 52 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2g5m h ARG 53 N 2.16 -0.05 -6.27 1.61 2.47 -1.92 -3.41 114.38 108.97 2g5m h ARG 53 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 2g5m h ARG 53 Cb 0.00 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 2g5m h ARG 53 CO 0.00 0.53 0.85 0.42 0.56 0.00 0.00 179.97 182.32 2g5m s ILE 54 N -3.72 4.02 0.07 2.04 1.01 -1.26 -4.98 121.20 118.39 2g5m s ILE 54 Ca -0.16 1.32 0.08 0.00 0.00 0.00 0.00 60.65 61.89 2g5m s ILE 54 Cb 0.01 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 2g5m s ILE 54 CO 0.64 -0.05 -0.19 0.00 0.00 0.00 0.00 174.94 175.34 2g5m s GLN 55 N 2.87 1.94 0.62 2.79 -2.07 -1.26 -4.75 119.66 119.79 2g5m s GLN 55 Ca 0.60 -1.07 0.32 0.00 -1.82 0.00 0.00 55.36 53.39 2g5m s GLN 55 Cb -0.27 -2.14 1.79 0.00 -1.09 0.00 0.00 33.01 31.30 2g5m s GLN 55 CO 0.22 0.51 2.11 -0.24 -1.32 0.00 0.00 175.29 176.57 2g5m h VAL 56 N 3.82 0.28 -0.01 3.63 3.04 -1.90 -2.02 116.25 123.09 2g5m h VAL 56 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2g5m h VAL 56 Cb 1.16 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2g5m h VAL 56 CO 0.47 0.00 -0.19 -3.20 -1.01 0.00 0.00 177.57 173.64 2g5m n ASN 57 N -3.48 1.53 -4.40 3.17 2.85 -1.26 -4.14 115.26 109.53 2g5m n ASN 57 Ca 0.00 -1.26 -0.26 0.00 -0.11 0.00 0.00 54.58 52.95 2g5m n ASN 57 Cb 0.30 0.35 0.15 0.00 1.24 0.00 0.00 39.78 41.82 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 -1.42 3.72 -0.11 1.20 1.11 -0.76 -4.71 116.67 115.71 2g5m s ASP 58 Ca 0.11 -0.21 0.02 0.00 0.18 0.00 0.00 52.55 52.66 2g5m s ASP 58 Cb 0.10 0.03 0.01 0.00 1.07 0.00 0.00 42.92 44.13 2g5m s ASP 58 CO 0.27 -2.30 -0.17 -0.22 1.18 0.00 0.00 175.17 173.93 2g5m s LEU 59 N -5.47 1.79 -0.60 1.23 2.96 -1.26 -0.22 118.68 117.11 2g5m s LEU 59 Ca 0.71 -0.45 -0.26 0.00 -0.22 0.00 0.00 54.13 53.91 2g5m s LEU 59 Cb -0.04 -1.14 0.04 0.00 0.50 0.00 0.00 46.19 45.55 2g5m s LEU 59 CO 0.48 0.04 1.07 -0.76 -1.32 0.00 0.00 176.35 175.86 2g5m s LEU 60 N 0.89 3.80 -0.00 -0.68 1.43 -1.12 -3.19 118.68 119.81 2g5m s LEU 60 Ca -0.08 -0.31 0.15 0.00 -1.03 0.00 0.00 54.13 52.86 2g5m s LEU 60 Cb -0.15 -2.84 -0.19 0.00 0.03 0.00 0.00 46.19 43.04 2g5m s LEU 60 CO -0.00 -1.42 0.70 0.55 0.23 0.00 0.00 176.35 176.40 2g5m n VAL 61 N 6.33 1.35 -3.73 -1.59 3.14 -0.11 -4.53 118.33 119.19 2g5m n VAL 61 Ca 0.03 -0.74 -0.09 0.00 -2.96 0.00 0.00 64.34 60.58 2g5m n VAL 61 Cb 0.48 -0.83 -0.03 0.00 -1.06 0.00 0.00 33.84 32.41 2g5m n VAL 61 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2g5m s GLU 62 N -2.77 1.54 0.26 1.45 -1.05 -1.16 -2.81 118.70 114.15 2g5m s GLU 62 Ca -0.04 -0.84 0.03 0.00 -0.15 0.00 0.00 54.97 53.97 2g5m s GLU 62 Cb 0.08 0.57 0.03 0.00 -0.44 0.00 0.00 34.13 34.38 2g5m s GLU 62 CO 0.82 -0.68 0.26 1.55 0.95 0.00 0.00 175.26 178.16 2g5m n VAL 63 N -0.40 0.00 -0.34 1.83 3.14 -0.45 -1.18 118.33 120.92 2g5m n VAL 63 Ca -0.09 -0.94 0.05 0.00 -2.96 0.00 0.00 64.34 60.40 2g5m n VAL 63 Cb 0.62 -0.50 0.22 0.00 -1.06 0.00 0.00 33.84 33.11 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 0.19 0.96 0.00 6.55 3.58 -1.53 -3.37 116.42 122.79 2g5m h ASP 64 Ca -0.14 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2g5m h ASP 64 Cb 0.57 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2g5m h ASP 64 CO 0.22 0.58 -0.29 0.61 -2.88 0.00 0.00 179.24 177.48 2g5m n GLY 65 N -1.37 -0.30 3.63 -0.78 0.00 -1.26 -4.94 105.19 100.17 2g5m n GLY 65 Ca 0.16 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.74 3.69 -0.35 2.61 2.01 -1.26 -4.97 115.64 115.63 2g5m s THR 66 Ca -0.09 0.79 -0.23 0.00 0.31 0.00 0.00 61.69 62.47 2g5m s THR 66 Cb 0.01 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.84 2g5m s THR 66 CO 0.13 -0.27 0.78 -0.44 -0.69 0.00 0.00 174.62 174.13 2g5m s SER 67 N 4.13 6.57 0.15 3.53 0.01 -1.26 -1.35 113.70 125.49 2g5m s SER 67 Ca 0.71 0.41 -0.23 0.00 1.31 0.00 0.00 55.95 58.15 2g5m s SER 67 Cb -0.26 -2.40 -0.08 0.00 0.21 0.00 0.00 66.02 63.50 2g5m s SER 67 CO 0.29 -0.71 0.72 -0.76 0.41 0.00 0.00 173.24 173.20 2g5m s LEU 68 N 3.06 4.55 -0.03 2.44 1.43 -1.12 -4.95 118.68 124.07 2g5m s LEU 68 Ca 0.31 1.53 0.22 0.00 -1.03 0.00 0.00 54.13 55.16 2g5m s LEU 68 Cb -0.13 -3.23 -0.32 0.00 0.03 0.00 0.00 46.19 42.53 2g5m s LEU 68 CO 0.16 0.21 0.53 0.55 0.23 0.00 0.00 176.35 178.03 2g5m n VAL 69 N 1.53 0.00 0.00 -1.59 3.14 -1.26 -4.64 118.33 115.51 2g5m n VAL 69 Ca -0.06 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 2g5m n VAL 69 Cb 0.49 0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 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 1.30 -0.46 3.93 7.55 0.00 -1.22 -4.28 105.19 112.02 2g5m n GLY 70 Ca -0.03 0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2g5m n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g5m s VAL 71 N 0.00 2.12 0.75 1.61 -7.23 -1.26 -4.23 120.40 112.16 2g5m s VAL 71 Ca 0.00 -0.19 -0.11 0.00 -1.81 0.00 0.00 61.98 59.88 2g5m s VAL 71 Cb 0.00 -2.93 0.04 0.00 0.56 0.00 0.00 36.38 34.05 2g5m s VAL 71 CO 0.00 0.00 1.08 0.42 -0.31 0.00 0.00 175.10 176.29 2g5m s THR 72 N -3.49 3.57 0.31 5.32 -4.23 -1.26 -4.75 115.64 111.11 2g5m s THR 72 Ca 0.66 0.51 -0.00 0.00 -1.18 0.00 0.00 61.69 61.68 2g5m s THR 72 Cb -0.08 -3.10 0.23 0.00 1.34 0.00 0.00 72.50 70.89 2g5m s THR 72 CO 0.48 -0.67 1.94 -0.61 -0.54 0.00 0.00 174.62 175.23 2g5m h GLN 73 N -0.98 0.91 -0.00 3.99 4.15 -1.95 -0.35 115.11 120.87 2g5m h GLN 73 Ca -0.44 -0.09 -0.14 0.00 0.77 0.00 0.00 58.65 58.75 2g5m h GLN 73 Cb 1.23 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 2g5m h GLN 73 CO 0.54 0.66 -0.66 0.77 -1.93 0.00 0.00 178.83 178.21 2g5m h SER 74 N 0.92 0.03 -0.22 -0.69 0.02 -1.98 -0.65 113.55 110.97 2g5m h SER 74 Ca 0.24 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.01 2g5m h SER 74 Cb 0.01 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2g5m h SER 74 CO -0.04 0.68 -0.48 0.15 -1.14 0.00 0.00 176.83 176.00 2g5m h PHE 75 N 0.02 0.91 -0.66 3.45 3.04 -1.63 -1.02 116.94 121.05 2g5m h PHE 75 Ca -0.01 -0.34 -0.06 0.00 3.98 0.00 0.00 57.97 61.54 2g5m h PHE 75 Cb 1.17 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 39.49 2g5m h PHE 75 CO 0.00 1.13 0.17 0.00 -2.02 0.00 0.00 178.31 177.59 2g5m h ALA 76 N 0.62 0.86 -0.82 2.41 0.00 -0.94 -0.40 119.26 121.00 2g5m h ALA 76 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2g5m h ALA 76 Cb 1.09 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2g5m h ALA 76 CO 0.11 0.57 0.54 0.00 0.00 0.00 0.00 179.25 180.47 2g5m h ALA 77 N 1.07 1.03 0.00 0.00 0.00 -0.97 -2.45 119.26 117.94 2g5m h ALA 77 Ca 0.21 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2g5m h ALA 77 Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2g5m h ALA 77 CO 0.00 0.45 -0.27 0.66 0.00 0.00 0.00 179.25 180.08 2g5m h SER 78 N 1.11 0.00 0.19 0.00 4.64 -0.89 -3.18 113.55 115.43 2g5m h SER 78 Ca 0.30 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.45 2g5m h SER 78 Cb -0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2g5m h SER 78 CO -0.06 0.27 -0.65 1.62 -0.87 0.00 0.00 176.83 177.14 2g5m h VAL 79 N 0.00 1.36 0.00 0.95 3.04 -0.59 -1.74 116.25 119.27 2g5m h VAL 79 Ca -0.00 -2.00 0.00 0.00 -1.01 0.00 0.00 66.70 63.69 2g5m h VAL 79 Cb 1.05 1.98 0.00 0.00 -2.01 0.00 0.00 31.29 32.31 2g5m h VAL 79 CO 0.04 0.60 0.00 -0.07 -1.01 0.00 0.00 177.57 177.13 2g5m h LEU 80 N 0.31 0.00 -0.01 3.16 3.38 -1.50 -1.10 115.31 119.56 2g5m h LEU 80 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2g5m h LEU 80 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2g5m h LEU 80 CO 0.11 0.00 -0.85 0.54 0.09 0.00 0.00 178.44 178.33 2g5m n ARG 81 N -2.83 0.01 0.02 1.13 1.74 -0.73 -4.04 116.66 111.96 2g5m n ARG 81 Ca 0.00 -0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.16 2g5m n ARG 81 Cb 0.24 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.07 2g5m n ARG 81 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2g5m n ASN 82 N -1.49 0.31 -4.51 0.55 3.02 -0.48 -4.95 115.26 107.71 2g5m n ASN 82 Ca 0.04 0.12 -0.29 0.00 -0.03 0.00 0.00 54.58 54.43 2g5m n ASN 82 Cb 0.33 1.32 0.14 0.00 -0.61 0.00 0.00 39.78 40.96 2g5m n ASN 82 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2g5m s THR 83 N -3.34 2.02 0.00 3.41 -4.23 -0.83 -5.09 115.64 107.58 2g5m s THR 83 Ca -0.06 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 2g5m s THR 83 Cb 0.12 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.97 2g5m s THR 83 CO 0.86 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 175.23 2g5m n LYS 84 N -3.51 -0.58 0.12 3.99 5.02 -1.26 -4.95 118.16 116.98 2g5m n LYS 84 Ca 0.12 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.38 2g5m n LYS 84 Cb 0.60 0.00 0.15 0.00 -0.02 0.00 0.00 35.03 35.76 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 -0.39 0.06 -6.75 0.72 0.00 -1.95 -3.43 103.07 91.33 2g5m h GLY 85 Ca 0.00 -0.07 -0.43 0.00 0.00 0.00 0.00 47.33 46.83 2g5m h GLY 85 CO 0.00 0.07 -0.77 -1.60 0.00 0.00 0.00 176.54 174.24 2g5m s ARG 86 N -3.60 0.68 0.08 4.80 3.52 -1.26 -0.28 118.95 122.89 2g5m s ARG 86 Ca -0.02 0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.62 2g5m s ARG 86 Cb 0.12 -0.92 -0.04 0.00 -1.56 0.00 0.00 34.95 32.55 2g5m s ARG 86 CO 0.77 -0.23 -0.05 0.14 -0.81 0.00 0.00 175.30 175.12 2g5m s VAL 87 N 1.60 0.51 -0.34 7.11 -7.23 -0.97 -5.00 120.40 116.08 2g5m s VAL 87 Ca -0.01 -1.89 -0.08 0.00 -1.81 0.00 0.00 61.98 58.20 2g5m s VAL 87 Cb -0.13 -1.62 0.03 0.00 0.56 0.00 0.00 36.38 35.22 2g5m s VAL 87 CO -0.04 -0.92 0.13 -0.13 -0.31 0.00 0.00 175.10 173.83 2g5m s ARG 88 N -3.87 2.77 0.32 4.82 0.52 -1.26 -2.22 118.95 120.04 2g5m s ARG 88 Ca 0.10 -1.09 -0.04 0.00 -0.52 0.00 0.00 55.73 54.18 2g5m s ARG 88 Cb 0.06 -3.52 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 2g5m s ARG 88 CO -0.07 -0.63 0.57 -0.06 0.02 0.00 0.00 175.30 175.13 2g5m s PHE 89 N 1.47 3.49 -0.22 -0.53 0.08 0.11 -1.27 117.98 121.10 2g5m s PHE 89 Ca 0.00 0.60 -0.06 0.00 0.12 0.00 0.00 56.93 57.59 2g5m s PHE 89 Cb -0.19 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 2g5m s PHE 89 CO 0.04 0.12 0.02 -1.64 -0.10 0.00 0.00 175.22 173.66 2g5m s MET 90 N -3.80 3.57 -0.31 0.44 -1.94 -0.33 0.11 119.30 117.04 2g5m s MET 90 Ca 0.43 -0.53 -0.12 0.00 -1.71 0.00 0.00 55.69 53.76 2g5m s MET 90 Cb -0.10 -3.16 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 2g5m s MET 90 CO 0.32 -0.12 0.23 0.42 -0.01 0.00 0.00 175.02 175.87 2g5m s ILE 91 N 1.35 5.28 -0.44 2.53 1.09 0.29 -0.93 121.20 130.38 2g5m s ILE 91 Ca 0.04 -0.00 -0.10 0.00 -1.10 0.00 0.00 60.65 59.49 2g5m s ILE 91 Cb -0.15 -3.64 0.09 0.00 -1.06 0.00 0.00 42.46 37.70 2g5m s ILE 91 CO 0.01 0.10 0.30 -0.83 -0.10 0.00 0.00 174.94 174.42 2g5m s GLY 92 N 1.74 1.99 -0.60 6.18 0.00 -1.19 -0.90 107.32 114.54 2g5m s GLY 92 Ca 0.07 -2.21 -0.18 0.00 0.00 0.00 0.00 44.72 42.40 2g5m s GLY 92 CO 0.11 1.01 0.66 -1.60 0.00 0.00 0.00 173.10 173.27 2g5m s ARG 93 N 1.45 3.08 -1.16 2.90 6.06 0.19 -4.67 118.95 126.80 2g5m s ARG 93 Ca 0.04 -1.54 -0.19 0.00 -2.50 0.00 0.00 55.73 51.54 2g5m s ARG 93 Cb -0.24 -4.31 0.08 0.00 0.06 0.00 0.00 34.95 30.54 2g5m s ARG 93 CO 0.02 -1.47 1.55 -2.00 -2.50 0.00 0.00 175.30 170.91 2g5m s GLU 94 N 2.17 3.83 0.08 5.12 2.12 -1.26 0.26 118.70 131.02 2g5m s GLU 94 Ca 0.10 -1.74 -0.32 0.00 0.36 0.00 0.00 54.97 53.36 2g5m s GLU 94 Cb -0.25 -5.37 -0.15 0.00 0.26 0.00 0.00 34.13 28.62 2g5m s GLU 94 CO 0.04 -2.14 1.51 -0.09 -0.54 0.00 0.00 175.26 174.03 2g5m h ARG 95 N 8.39 -0.84 -7.01 4.30 2.43 -1.87 -3.41 114.38 116.38 2g5m h ARG 95 Ca 0.32 0.06 -0.45 0.00 -0.81 0.00 0.00 59.98 59.10 2g5m h ARG 95 Cb 0.93 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2g5m h ARG 95 CO 1.40 -0.56 0.33 -1.25 -1.51 0.00 0.00 179.97 178.38 2g5m s PRO 96 N -5.57 4.28 -0.40 0.20 0.04 -1.26 -5.02 135.00 127.27 2g5m s PRO 96 Ca -0.16 1.13 0.11 0.00 0.04 0.00 0.00 61.00 62.12 2g5m s PRO 96 Cb 0.04 -2.30 0.35 0.00 0.04 0.00 0.00 34.50 32.64 2g5m s PRO 96 CO 0.55 0.03 0.77 0.41 0.04 0.00 0.00 177.00 178.80 2g5m n GLY 97 N -0.42 3.93 4.05 0.56 0.00 -1.26 -4.97 105.19 107.07 2g5m n GLY 97 Ca 0.06 -1.87 -0.44 0.00 0.00 0.00 0.00 46.02 43.77 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 0.18 -0.35 -1.44 1.61 -0.58 -1.26 -4.86 120.64 113.94 2g5m n GLU 98 Ca 0.26 0.10 0.04 0.00 -0.42 0.00 0.00 57.16 57.14 2g5m n GLU 98 Cb 0.62 -2.28 0.04 0.00 -0.57 0.00 0.00 31.44 29.25 2g5m n GLU 98 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2g5m n GLN 99 N -4.70 0.14 -3.39 3.49 7.27 -1.26 -5.08 117.38 113.84 2g5m n GLN 99 Ca -0.13 -2.12 -0.19 0.00 0.07 0.00 0.00 57.00 54.64 2g5m n GLN 99 Cb 0.55 -0.14 -0.01 0.00 2.41 0.00 0.00 30.24 33.06 2g5m n GLN 99 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2g5m s SER 100 N -2.11 5.76 0.00 1.69 1.04 -1.26 -5.02 113.70 113.80 2g5m s SER 100 Ca 0.34 -0.31 0.14 0.00 0.48 0.00 0.00 55.95 56.60 2g5m s SER 100 Cb 0.39 -1.01 0.18 0.00 0.10 0.00 0.00 66.02 65.67 2g5m s SER 100 CO -0.16 -0.52 1.05 -0.62 0.98 0.00 0.00 173.24 173.97 2g5m n GLU 101 N -1.66 1.44 -2.78 4.02 1.02 -1.26 -4.87 120.64 116.55 2g5m n GLU 101 Ca 0.02 -1.57 -0.43 0.00 -0.02 0.00 0.00 57.16 55.17 2g5m n GLU 101 Cb 0.59 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.17 4.31 -0.21 2.62 -7.23 -1.26 -4.89 120.40 112.57 2g5m s VAL 102 Ca 0.20 -0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 2g5m s VAL 102 Cb 0.13 -4.84 0.08 0.00 0.56 0.00 0.00 36.38 32.31 2g5m s VAL 102 CO 0.19 -1.64 0.50 0.00 -0.31 0.00 0.00 175.10 173.84 2g5m s ALA 103 N 3.95 -1.36 -0.37 1.32 0.00 -1.26 -5.02 121.76 119.03 2g5m s ALA 103 Ca 0.33 1.82 -0.09 0.00 0.00 0.00 0.00 51.96 54.02 2g5m s ALA 103 Cb -0.07 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.87 2g5m s ALA 103 CO -0.02 -0.43 0.33 1.04 0.00 0.00 0.00 175.76 176.68 2g5m n GLN 104 N 4.57 -2.85 -4.30 0.00 6.02 -1.26 -5.07 117.38 114.49 2g5m n GLN 104 Ca -0.19 2.40 -0.20 0.00 -0.01 0.00 0.00 57.00 59.00 2g5m n GLN 104 Cb 0.55 -5.45 -0.08 0.00 1.02 0.00 0.00 30.24 26.27 2g5m n GLN 104 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2g5m s LEU 105 N -2.17 1.79 0.00 1.08 1.43 -1.26 -5.10 118.68 114.46 2g5m s LEU 105 Ca 0.14 -1.78 0.00 0.00 -1.03 0.00 0.00 54.13 51.46 2g5m s LEU 105 Cb -0.04 0.54 0.00 0.00 0.03 0.00 0.00 46.19 46.73 2g5m s LEU 105 CO 0.77 -1.07 0.00 -0.38 0.23 0.00 0.00 176.35 175.90 2g5m n ILE 106 N -0.65 0.00 0.00 -0.59 2.08 -1.26 -4.89 119.36 114.04 2g5m n ILE 106 Ca 0.07 0.36 0.00 0.00 0.56 0.00 0.00 62.75 63.74 2g5m n ILE 106 Cb 0.62 -1.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.32 2g5m n ILE 106 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 2g5m n GLN 107 N -1.84 0.00 -2.83 0.38 7.27 -1.26 -4.86 117.38 114.24 2g5m n GLN 107 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.06 2g5m n GLN 107 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2g5m n GLN 107 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2g5m n GLN 108 N 0.00 -2.80 -3.18 3.69 6.02 -1.26 -5.06 117.38 114.79 2g5m n GLN 108 Ca 0.00 2.35 -0.14 0.00 -0.01 0.00 0.00 57.00 59.21 2g5m n GLN 108 Cb 0.00 -4.52 -0.03 0.00 1.02 0.00 0.00 30.24 26.70 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 0.73 0.00 -3.42 5.09 5.66 -1.26 -5.09 114.28 115.98 2g5m n THR 109 Ca 0.01 -1.11 -0.44 0.00 -3.05 0.00 0.00 64.05 59.46 2g5m n THR 109 Cb 0.14 0.30 -0.08 0.00 -1.55 0.00 0.00 70.33 69.14 2g5m n THR 109 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2g5m s LEU 110 N 0.00 5.59 -0.14 1.09 0.05 -1.26 -4.76 118.68 119.24 2g5m s LEU 110 Ca 0.04 -1.40 -0.08 0.00 0.05 0.00 0.00 54.13 52.74 2g5m s LEU 110 Cb 0.00 -2.15 0.03 0.00 -2.05 0.00 0.00 46.19 42.03 2g5m s LEU 110 CO 0.03 -0.64 0.17 -0.62 -0.55 0.00 0.00 176.35 174.74 2g5m n GLU 111 N 5.15 -3.23 -0.08 1.48 1.02 -1.26 -5.02 120.64 118.70 2g5m n GLU 111 Ca -0.12 2.58 -0.14 0.00 -0.02 0.00 0.00 57.16 59.46 2g5m n GLU 111 Cb 0.43 -3.91 -0.07 0.00 -0.02 0.00 0.00 31.44 27.87 2g5m n GLU 111 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2g5m n GLN 112 N 1.16 0.37 0.00 3.49 -0.06 -1.26 -5.23 117.38 115.85 2g5m n GLN 112 Ca -0.28 0.12 0.11 0.00 -2.00 0.00 0.00 57.00 54.94 2g5m n GLN 112 Cb 0.44 -1.22 0.63 0.00 -4.06 0.00 0.00 30.24 26.03 2g5m n GLN 112 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01