#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g5m n HIS 2 N 0.00 -0.20 -2.12 1.61 -0.00 -1.26 -4.97 115.22 108.28 2g5m n HIS 2 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 2g5m n HIS 2 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 2g5m n HIS 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2g5m s MET 3 N 0.15 4.29 -0.64 -0.41 0.00 -1.26 -4.49 119.30 116.94 2g5m s MET 3 Ca 0.00 2.13 -0.23 0.00 0.00 0.00 0.00 55.69 57.59 2g5m s MET 3 Cb 0.00 -3.26 0.06 0.00 0.00 0.00 0.00 34.83 31.63 2g5m s MET 3 CO 0.00 -0.49 0.96 -1.21 0.00 0.00 0.00 175.02 174.28 2g5m s GLU 4 N 1.25 3.15 -1.09 3.16 2.02 -1.17 -4.85 118.70 121.17 2g5m s GLU 4 Ca 0.66 -0.73 -0.18 0.00 0.02 0.00 0.00 54.97 54.74 2g5m s GLU 4 Cb -0.38 -4.20 0.11 0.00 0.10 0.00 0.00 34.13 29.77 2g5m s GLU 4 CO 0.30 -1.76 1.39 -0.51 0.02 0.00 0.00 175.26 174.70 2g5m s LEU 5 N 4.06 4.47 -0.03 1.80 2.01 -1.26 -1.88 118.68 127.85 2g5m s LEU 5 Ca 0.24 -2.22 0.01 0.00 0.01 0.00 0.00 54.13 52.17 2g5m s LEU 5 Cb -0.16 -2.47 -0.03 0.00 0.01 0.00 0.00 46.19 43.54 2g5m s LEU 5 CO 0.12 -1.11 -0.04 0.72 1.01 0.00 0.00 176.35 177.05 2g5m s PHE 6 N 3.22 2.99 -0.09 0.29 -0.12 0.35 -4.88 117.98 119.73 2g5m s PHE 6 Ca 0.42 0.04 -0.29 0.00 -0.05 0.00 0.00 56.93 57.05 2g5m s PHE 6 Cb -0.02 -1.68 -0.02 0.00 -0.63 0.00 0.00 43.02 40.68 2g5m s PHE 6 CO -0.04 0.40 0.99 -1.25 -0.05 0.00 0.00 175.22 175.26 2g5m s PRO 7 N -1.19 4.45 0.12 1.99 0.04 -1.26 -0.42 135.00 138.72 2g5m s PRO 7 Ca 0.16 1.37 0.05 0.00 0.04 0.00 0.00 61.00 62.61 2g5m s PRO 7 Cb -0.11 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 2g5m s PRO 7 CO 0.06 -0.25 0.06 0.08 0.04 0.00 0.00 177.00 176.99 2g5m s VAL 8 N 1.78 4.28 -0.01 -0.36 1.01 0.93 -4.90 120.40 123.13 2g5m s VAL 8 Ca 0.48 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2g5m s VAL 8 Cb -0.19 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.10 2g5m s VAL 8 CO 0.20 0.03 -0.01 -0.70 0.00 0.00 0.00 175.10 174.61 2g5m s GLU 9 N -2.63 0.22 0.14 2.72 2.12 -1.26 0.28 118.70 120.28 2g5m s GLU 9 Ca 0.29 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.59 2g5m s GLU 9 Cb -0.11 -0.29 -0.04 0.00 0.26 0.00 0.00 34.13 33.95 2g5m s GLU 9 CO 0.21 -0.02 0.05 -0.51 -0.54 0.00 0.00 175.26 174.45 2g5m s LEU 10 N 0.35 1.81 -0.06 2.70 1.43 -0.34 -4.78 118.68 119.79 2g5m s LEU 10 Ca -0.03 -1.21 -0.16 0.00 -1.03 0.00 0.00 54.13 51.70 2g5m s LEU 10 Cb -0.06 0.25 0.03 0.00 0.03 0.00 0.00 46.19 46.45 2g5m s LEU 10 CO -0.01 -0.71 0.38 -0.70 0.23 0.00 0.00 176.35 175.54 2g5m s GLU 11 N -4.03 0.64 0.67 1.70 -6.30 -1.26 -2.57 118.70 107.55 2g5m s GLU 11 Ca 0.24 0.10 -0.04 0.00 -2.50 0.00 0.00 54.97 52.77 2g5m s GLU 11 Cb 0.07 0.29 0.07 0.00 0.00 0.00 0.00 34.13 34.56 2g5m s GLU 11 CO 0.02 -0.16 0.95 -1.59 0.02 0.00 0.00 175.26 174.51 2g5m s LYS 12 N -0.80 2.16 0.54 4.30 -2.85 -1.26 -4.67 119.74 117.16 2g5m s LYS 12 Ca -0.09 -0.53 0.09 0.00 -1.00 0.00 0.00 55.97 54.44 2g5m s LYS 12 Cb -0.04 -2.27 0.07 0.00 -2.06 0.00 0.00 37.83 33.53 2g5m s LYS 12 CO 0.04 -1.16 0.74 0.34 0.10 0.00 0.00 175.35 175.41 2g5m s ASP 13 N -4.53 5.22 0.44 0.03 2.15 0.22 -4.92 116.67 115.28 2g5m s ASP 13 Ca 0.61 -0.75 0.10 0.00 0.43 0.00 0.00 52.55 52.94 2g5m s ASP 13 Cb -0.10 0.08 0.97 0.00 -0.30 0.00 0.00 42.92 43.57 2g5m s ASP 13 CO 0.43 -1.21 2.07 0.28 -0.17 0.00 0.00 175.17 176.57 2g5m h SER 14 N 0.28 0.36 0.03 -0.34 0.02 -1.99 -2.04 113.55 109.87 2g5m h SER 14 Ca -0.32 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.49 2g5m h SER 14 Cb 1.29 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.75 2g5m h SER 14 CO 0.42 0.26 -0.52 -0.08 -1.14 0.00 0.00 176.83 175.77 2g5m h GLU 15 N 0.42 0.29 0.00 3.45 4.81 -1.94 -3.50 114.58 118.11 2g5m h GLU 15 Ca 0.13 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2g5m h GLU 15 Cb 0.01 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2g5m h GLU 15 CO -0.03 1.08 0.00 0.41 -0.73 0.00 0.00 179.01 179.74 2g5m n GLY 16 N 1.25 0.24 2.46 1.92 0.00 -0.77 -5.11 105.19 105.18 2g5m n GLY 16 Ca -0.11 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.78 0.99 4.77 -1.26 -0.61 117.00 118.10 2g5m n LEU 17 Ca 0.00 -1.00 -0.10 0.00 -0.03 0.00 0.00 56.01 54.88 2g5m n LEU 17 Cb 0.00 -0.61 0.05 0.00 -2.33 0.00 0.00 43.42 40.53 2g5m n LEU 17 CO 0.00 -1.06 0.21 0.61 -1.33 0.00 0.00 177.39 175.82 2g5m n GLY 18 N -0.44 0.52 3.83 -0.72 0.00 -1.26 -3.66 105.19 103.46 2g5m n GLY 18 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 0.32 0.00 -0.07 -0.61 -4.36 -1.26 -1.18 121.20 114.04 2g5m s ILE 19 Ca 0.29 -0.66 -0.12 0.00 -0.26 0.00 0.00 60.65 59.90 2g5m s ILE 19 Cb 0.25 -2.59 0.03 0.00 1.25 0.00 0.00 42.46 41.40 2g5m s ILE 19 CO -0.16 0.00 0.29 -0.44 0.24 0.00 0.00 174.94 174.87 2g5m s SER 20 N -3.21 -0.25 0.24 4.36 0.01 -0.19 -4.71 113.70 109.95 2g5m s SER 20 Ca 0.18 0.37 0.10 0.00 1.31 0.00 0.00 55.95 57.91 2g5m s SER 20 Cb -0.02 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 2g5m s SER 20 CO 0.05 -0.24 -0.08 0.27 0.41 0.00 0.00 173.24 173.65 2g5m s ILE 21 N -0.47 3.14 0.00 1.44 -4.36 -1.26 0.52 121.20 120.21 2g5m s ILE 21 Ca -0.06 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2g5m s ILE 21 Cb -0.04 -2.63 -0.00 0.00 1.25 0.00 0.00 42.46 41.04 2g5m s ILE 21 CO 0.02 -0.29 -0.01 -0.51 0.24 0.00 0.00 174.94 174.38 2g5m s ILE 22 N -2.15 0.08 -0.45 8.37 1.10 0.16 -4.61 121.20 123.69 2g5m s ILE 22 Ca 0.29 -0.11 -0.21 0.00 -0.51 0.00 0.00 60.65 60.11 2g5m s ILE 22 Cb -0.07 -0.09 0.03 0.00 0.15 0.00 0.00 42.46 42.48 2g5m s ILE 22 CO 0.17 -0.02 0.68 -0.83 -2.11 0.00 0.00 174.94 172.83 2g5m s GLY 23 N -0.13 1.69 -0.21 1.50 0.00 -1.26 -0.78 107.32 108.13 2g5m s GLY 23 Ca -0.01 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.51 2g5m s GLY 23 CO -0.00 1.59 -0.12 1.06 0.00 0.00 0.00 173.10 175.62 2g5m s MET 24 N 2.93 2.25 0.00 2.90 -1.94 0.47 -4.93 119.30 120.98 2g5m s MET 24 Ca 0.24 -0.93 0.00 0.00 -1.71 0.00 0.00 55.69 53.29 2g5m s MET 24 Cb -0.14 -2.52 0.00 0.00 2.01 0.00 0.00 34.83 34.18 2g5m s MET 24 CO 0.19 -0.41 0.00 0.41 -0.01 0.00 0.00 175.02 175.20 2g5m n GLY 25 N 4.63 -0.50 2.72 -0.03 0.00 -1.26 -1.10 105.19 109.63 2g5m n GLY 25 Ca -0.16 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.00 -0.15 -0.59 4.61 0.00 -0.48 -4.91 121.76 119.24 2g5m s ALA 26 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.89 2g5m s ALA 26 Cb 0.00 -1.37 -0.16 0.00 0.00 0.00 0.00 23.12 21.59 2g5m s ALA 26 CO 0.00 -1.32 3.28 0.41 0.00 0.00 0.00 175.76 178.13 2g5m n GLY 27 N 5.31 3.63 3.05 0.00 0.00 -1.26 -2.88 105.19 113.04 2g5m n GLY 27 Ca -0.05 -1.41 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 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 0.92 -2.37 -0.08 4.61 0.00 -1.26 -4.78 121.76 118.80 2g5m s ALA 28 Ca 0.66 0.05 0.12 0.00 0.00 0.00 0.00 51.96 52.79 2g5m s ALA 28 Cb 0.28 -2.74 0.20 0.00 0.00 0.00 0.00 23.12 20.85 2g5m s ALA 28 CO -0.05 -2.24 1.10 -3.47 0.00 0.00 0.00 175.76 171.11 2g5m n ASP 29 N 3.91 1.31 -4.02 0.00 2.03 -1.26 -4.88 116.55 113.65 2g5m n ASP 29 Ca 0.13 -2.67 -0.42 0.00 0.52 0.00 0.00 54.79 52.35 2g5m n ASP 29 Cb 0.57 -0.34 0.01 0.00 -0.72 0.00 0.00 41.12 40.64 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 -0.73 -0.58 0.00 -0.67 0.00 -1.26 -4.12 117.12 109.77 2g5m n MET 30 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 57.70 57.95 2g5m n MET 30 Cb 0.70 -2.97 0.00 0.00 0.00 0.00 0.00 33.22 30.95 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 -2.05 1.50 0.19 3.17 0.00 -1.26 -4.92 105.19 101.82 2g5m n GLY 31 Ca -0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 2g5m n GLY 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2g5m h LEU 32 N 0.00 0.43 -2.45 0.99 3.38 -1.97 -3.47 115.31 112.22 2g5m h LEU 32 Ca 0.00 -0.23 -0.51 0.00 0.09 0.00 0.00 57.88 57.24 2g5m h LEU 32 Cb 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2g5m h LEU 32 CO 0.00 0.89 -0.92 -0.62 0.09 0.00 0.00 178.44 177.88 2g5m n GLU 33 N -3.93 -2.23 -2.47 1.13 -0.58 -1.26 -4.34 120.64 106.96 2g5m n GLU 33 Ca -0.03 0.35 -0.42 0.00 -0.42 0.00 0.00 57.16 56.64 2g5m n GLU 33 Cb 0.59 -4.11 -0.02 0.00 -0.57 0.00 0.00 31.44 27.32 2g5m n GLU 33 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2g5m s LYS 34 N -6.60 3.40 -0.16 3.49 -2.85 -1.14 -4.31 119.74 111.57 2g5m s LYS 34 Ca 0.17 0.39 -0.04 0.00 -1.00 0.00 0.00 55.97 55.49 2g5m s LYS 34 Cb -0.07 -4.08 -0.03 0.00 -2.06 0.00 0.00 37.83 31.60 2g5m s LYS 34 CO 0.90 -1.82 -0.03 -0.51 0.10 0.00 0.00 175.35 173.99 2g5m s LEU 35 N 5.58 3.27 -0.42 2.77 1.43 -1.25 -1.38 118.68 128.68 2g5m s LEU 35 Ca 0.49 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.29 2g5m s LEU 35 Cb -0.10 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.35 2g5m s LEU 35 CO 0.25 0.16 0.43 -0.83 0.23 0.00 0.00 176.35 176.60 2g5m s GLY 36 N 0.43 1.90 -0.88 -3.19 0.00 -0.26 -4.06 107.32 101.25 2g5m s GLY 36 Ca -0.03 -1.53 -0.20 0.00 0.00 0.00 0.00 44.72 42.97 2g5m s GLY 36 CO 0.03 1.16 1.10 -0.42 0.00 0.00 0.00 173.10 174.96 2g5m s ILE 37 N 2.12 4.63 0.68 0.90 -1.09 -1.26 -0.39 121.20 126.79 2g5m s ILE 37 Ca 0.12 -1.32 -0.06 0.00 -2.23 0.00 0.00 60.65 57.15 2g5m s ILE 37 Cb -0.17 -4.76 0.05 0.00 -1.58 0.00 0.00 42.46 35.99 2g5m s ILE 37 CO 0.13 -1.50 0.99 -0.36 -1.23 0.00 0.00 174.94 172.97 2g5m s PHE 38 N 3.00 2.98 0.12 3.97 0.40 0.04 -1.46 117.98 127.03 2g5m s PHE 38 Ca 0.31 0.47 -0.27 0.00 -0.60 0.00 0.00 56.93 56.84 2g5m s PHE 38 Cb -0.07 -3.10 -0.07 0.00 0.51 0.00 0.00 43.02 40.29 2g5m s PHE 38 CO -0.06 -1.29 0.84 0.08 0.70 0.00 0.00 175.22 175.49 2g5m s VAL 39 N -3.19 4.50 -0.18 -0.44 1.01 -0.06 0.35 120.40 122.39 2g5m s VAL 39 Ca 0.59 1.82 0.06 0.00 0.00 0.00 0.00 61.98 64.45 2g5m s VAL 39 Cb -0.11 -4.20 -0.22 0.00 0.00 0.00 0.00 36.38 31.85 2g5m s VAL 39 CO 0.45 0.41 0.10 1.17 0.00 0.00 0.00 175.10 177.23 2g5m n LYS 40 N 2.34 0.68 -3.65 2.72 4.81 0.18 -4.66 118.16 120.59 2g5m n LYS 40 Ca -0.02 0.15 -0.09 0.00 -0.87 0.00 0.00 58.31 57.49 2g5m n LYS 40 Cb 0.49 -1.60 -0.02 0.00 0.02 0.00 0.00 35.03 33.92 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 -2.53 0.00 -0.42 3.15 -1.32 -1.08 -4.97 115.64 108.48 2g5m s THR 41 Ca -0.21 -0.49 0.02 0.00 -1.21 0.00 0.00 61.69 59.79 2g5m s THR 41 Cb 0.08 -1.53 0.12 0.00 -1.51 0.00 0.00 72.50 69.66 2g5m s THR 41 CO 0.73 0.00 0.19 -0.69 -2.21 0.00 0.00 174.62 172.64 2g5m s VAL 42 N -3.72 1.67 0.09 5.08 1.01 -1.26 -1.02 120.40 122.24 2g5m s VAL 42 Ca 0.07 -2.46 -0.31 0.00 0.00 0.00 0.00 61.98 59.28 2g5m s VAL 42 Cb -0.03 -2.19 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 2g5m s VAL 42 CO -0.03 -0.79 1.86 -0.89 0.00 0.00 0.00 175.10 175.25 2g5m s THR 43 N 0.54 2.76 0.17 3.92 2.01 -0.32 -4.78 115.64 119.94 2g5m s THR 43 Ca 0.15 0.09 0.25 0.00 0.31 0.00 0.00 61.69 62.49 2g5m s THR 43 Cb -0.23 -3.06 0.25 0.00 0.01 0.00 0.00 72.50 69.48 2g5m s THR 43 CO -0.06 -0.00 1.87 1.05 -0.69 0.00 0.00 174.62 176.79 2g5m h GLU 44 N 9.27 0.00 0.00 4.92 4.11 -1.97 -2.25 114.58 128.65 2g5m h GLU 44 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2g5m h GLU 44 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2g5m h GLU 44 CO 0.94 0.20 0.00 0.41 0.07 0.00 0.00 179.01 180.63 2g5m n GLY 45 N 0.02 -1.31 3.84 1.06 0.00 -1.26 -4.60 105.19 102.94 2g5m n GLY 45 Ca -0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 2.29 0.35 -0.02 0.00 -0.85 -4.95 107.32 100.93 2g5m s GLY 46 Ca 0.09 -1.74 0.03 0.00 0.00 0.00 0.00 44.72 43.10 2g5m s GLY 46 CO 0.42 -1.85 1.96 0.00 0.00 0.00 0.00 173.10 173.63 2g5m h ALA 47 N 1.07 1.49 -0.72 3.20 0.00 -1.62 -3.15 119.26 119.53 2g5m h ALA 47 Ca -0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2g5m h ALA 47 Cb 1.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2g5m h ALA 47 CO 0.62 0.42 0.41 0.00 0.00 0.00 0.00 179.25 180.69 2g5m h ALA 48 N 1.57 0.92 -0.27 0.00 0.00 -1.83 0.32 119.26 119.96 2g5m h ALA 48 Ca 0.19 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 2g5m h ALA 48 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2g5m h ALA 48 CO -0.03 0.43 -0.50 1.25 0.00 0.00 0.00 179.25 180.40 2g5m h HIS 49 N 0.99 1.02 0.00 0.00 6.17 -1.66 -0.51 115.15 121.17 2g5m h HIS 49 Ca 0.26 -0.36 -0.09 0.00 0.71 0.00 0.00 60.37 60.88 2g5m h HIS 49 Cb 0.02 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 29.74 2g5m h HIS 49 CO -0.01 1.17 -0.44 0.00 0.71 0.00 0.00 177.93 179.37 2g5m h ARG 50 N 0.58 0.00 0.11 5.26 3.08 -1.39 -3.02 114.38 119.00 2g5m h ARG 50 Ca 0.02 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 2g5m h ARG 50 Cb 1.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.16 2g5m h ARG 50 CO 0.11 0.44 -0.86 0.22 -1.07 0.00 0.00 179.97 178.80 2g5m h ASP 51 N 0.00 0.35 -0.20 7.04 3.58 -0.28 -3.49 116.42 123.43 2g5m h ASP 51 Ca -0.00 -0.91 0.00 0.00 0.42 0.00 0.00 57.03 56.53 2g5m h ASP 51 Cb 0.79 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2g5m h ASP 51 CO 0.06 1.40 0.00 0.61 -2.88 0.00 0.00 179.24 178.42 2g5m n GLY 52 N 1.67 1.18 0.20 -0.78 0.00 -0.21 -5.03 105.19 102.22 2g5m n GLY 52 Ca -0.17 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.57 0.00 -2.08 1.61 3.00 -1.21 -4.93 116.66 112.48 2g5m n ARG 53 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.41 2g5m n ARG 53 Cb 0.18 -0.16 -0.03 0.00 0.00 0.00 0.00 32.46 32.46 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 -0.52 3.68 0.55 0.55 1.01 -1.26 -4.98 121.20 120.24 2g5m s ILE 54 Ca 0.00 0.81 0.07 0.00 0.00 0.00 0.00 60.65 61.54 2g5m s ILE 54 Cb 0.00 -3.58 0.07 0.00 0.01 0.00 0.00 42.46 38.97 2g5m s ILE 54 CO 0.00 -0.13 0.62 0.00 0.00 0.00 0.00 174.94 175.43 2g5m n GLN 55 N 7.24 0.65 -0.00 2.79 1.13 -1.26 -4.69 117.38 123.24 2g5m n GLN 55 Ca 0.17 -3.19 0.13 0.00 -1.94 0.00 0.00 57.00 52.17 2g5m n GLN 55 Cb 0.44 0.02 0.73 0.00 0.11 0.00 0.00 30.24 31.54 2g5m n GLN 55 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 2g5m n VAL 56 N -2.03 0.01 0.38 5.09 3.14 -1.26 -2.60 118.33 121.05 2g5m n VAL 56 Ca 0.08 -0.02 0.06 0.00 -2.96 0.00 0.00 64.34 61.49 2g5m n VAL 56 Cb 0.60 -0.33 0.06 0.00 -1.06 0.00 0.00 33.84 33.11 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 -0.80 2.05 -4.84 6.55 2.85 -1.26 -4.50 115.26 115.31 2g5m n ASN 57 Ca 0.19 -1.53 -0.32 0.00 -0.11 0.00 0.00 54.58 52.81 2g5m n ASN 57 Cb 0.11 -0.03 -0.02 0.00 1.24 0.00 0.00 39.78 41.08 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 -0.93 6.43 -0.03 1.20 1.11 -1.07 -4.86 116.67 118.52 2g5m s ASP 58 Ca 0.14 1.60 -0.01 0.00 0.18 0.00 0.00 52.55 54.47 2g5m s ASP 58 Cb 0.10 -2.51 0.03 0.00 1.07 0.00 0.00 42.92 41.61 2g5m s ASP 58 CO 0.14 -0.72 0.03 -0.22 1.18 0.00 0.00 175.17 175.58 2g5m s LEU 59 N -4.25 0.81 -0.97 1.23 2.96 -1.26 -0.88 118.68 116.31 2g5m s LEU 59 Ca 0.59 0.03 -0.24 0.00 -0.22 0.00 0.00 54.13 54.30 2g5m s LEU 59 Cb -0.11 -0.14 0.04 0.00 0.50 0.00 0.00 46.19 46.48 2g5m s LEU 59 CO 0.34 -0.16 1.46 -0.76 -1.32 0.00 0.00 176.35 175.91 2g5m s LEU 60 N 1.41 3.43 -0.00 -0.68 1.43 -0.53 -3.97 118.68 119.77 2g5m s LEU 60 Ca -0.05 -1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 51.68 2g5m s LEU 60 Cb -0.13 -2.57 -0.33 0.00 0.03 0.00 0.00 46.19 43.20 2g5m s LEU 60 CO -0.03 -1.64 0.86 0.58 0.23 0.00 0.00 176.35 176.35 2g5m h VAL 61 N 6.72 1.14 -2.54 -1.59 2.07 -1.75 -3.41 116.25 116.90 2g5m h VAL 61 Ca 0.12 -2.65 0.01 0.00 0.82 0.00 0.00 66.70 65.00 2g5m h VAL 61 Cb 1.02 2.90 -0.15 0.00 -1.52 0.00 0.00 31.29 33.54 2g5m h VAL 61 CO 1.39 0.84 0.29 -1.83 0.02 0.00 0.00 177.57 178.28 2g5m s GLU 62 N -2.60 1.09 0.56 1.57 -1.05 -1.17 -1.60 118.70 115.50 2g5m s GLU 62 Ca -0.12 -0.24 0.02 0.00 -0.15 0.00 0.00 54.97 54.48 2g5m s GLU 62 Cb 0.05 0.50 0.11 0.00 -0.44 0.00 0.00 34.13 34.35 2g5m s GLU 62 CO 0.90 -0.44 0.77 1.55 0.95 0.00 0.00 175.26 178.99 2g5m n VAL 63 N -0.01 0.00 -0.28 1.83 3.14 -0.00 -0.18 118.33 122.83 2g5m n VAL 63 Ca -0.15 -1.34 0.05 0.00 -2.96 0.00 0.00 64.34 59.94 2g5m n VAL 63 Cb 0.62 -0.90 0.15 0.00 -1.06 0.00 0.00 33.84 32.65 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 -0.36 -0.55 -0.72 6.55 1.82 -0.70 -3.18 116.42 119.28 2g5m h ASP 64 Ca -0.26 0.23 -0.30 0.00 -0.39 0.00 0.00 57.03 56.31 2g5m h ASP 64 Cb 1.00 0.43 -0.39 0.00 0.68 0.00 0.00 39.33 41.05 2g5m h ASP 64 CO 0.29 -0.24 -1.14 0.61 -1.61 0.00 0.00 179.24 177.15 2g5m n GLY 65 N -1.48 1.63 3.55 -0.78 0.00 -1.26 -4.93 105.19 101.92 2g5m n GLY 65 Ca 0.14 -1.16 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.33 -0.93 0.01 2.61 2.01 -1.20 -5.16 115.64 109.65 2g5m s THR 66 Ca 0.27 0.03 -0.24 0.00 0.31 0.00 0.00 61.69 62.06 2g5m s THR 66 Cb 0.40 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 2g5m s THR 66 CO 0.00 0.01 0.74 -0.44 -0.69 0.00 0.00 174.62 174.24 2g5m s SER 67 N 2.84 7.13 -0.13 3.53 0.01 -1.26 -0.82 113.70 125.00 2g5m s SER 67 Ca -0.04 1.36 -0.08 0.00 1.31 0.00 0.00 55.95 58.50 2g5m s SER 67 Cb -0.12 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2g5m s SER 67 CO -0.18 -0.02 0.15 -0.76 0.41 0.00 0.00 173.24 172.84 2g5m s LEU 68 N 0.20 4.37 -0.02 2.44 1.43 -0.63 -4.96 118.68 121.51 2g5m s LEU 68 Ca 0.38 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.97 2g5m s LEU 68 Cb -0.20 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 2g5m s LEU 68 CO 0.21 0.37 0.03 0.55 0.23 0.00 0.00 176.35 177.74 2g5m n VAL 69 N 2.21 0.14 0.00 -1.59 3.14 -1.26 -4.71 118.33 116.27 2g5m n VAL 69 Ca -0.19 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 2g5m n VAL 69 Cb 0.54 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.84 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 2.65 -0.96 3.82 7.55 0.00 -1.26 -3.94 105.19 113.05 2g5m n GLY 70 Ca -0.04 0.71 -0.25 0.00 0.00 0.00 0.00 46.02 46.44 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 2.10 0.70 1.61 -7.23 -1.26 -4.49 120.40 111.83 2g5m s VAL 71 Ca 0.00 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 58.48 2g5m s VAL 71 Cb 0.00 -2.68 0.01 0.00 0.56 0.00 0.00 36.38 34.27 2g5m s VAL 71 CO 0.00 0.00 1.06 0.42 -0.31 0.00 0.00 175.10 176.27 2g5m s THR 72 N -2.64 4.02 0.38 5.32 -4.23 -1.26 -4.66 115.64 112.56 2g5m s THR 72 Ca 0.38 0.66 0.05 0.00 -1.18 0.00 0.00 61.69 61.60 2g5m s THR 72 Cb 0.00 -3.41 0.27 0.00 1.34 0.00 0.00 72.50 70.71 2g5m s THR 72 CO 0.22 -0.86 2.02 -0.61 -0.54 0.00 0.00 174.62 174.86 2g5m h GLN 73 N -0.72 0.69 -0.35 3.99 4.15 -1.97 -0.76 115.11 120.14 2g5m h GLN 73 Ca -0.44 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 58.80 2g5m h GLN 73 Cb 1.21 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 2g5m h GLN 73 CO 0.57 0.45 -0.34 0.77 -1.93 0.00 0.00 178.83 178.35 2g5m h SER 74 N 0.71 0.91 -0.34 -0.69 0.02 -1.97 -1.63 113.55 110.55 2g5m h SER 74 Ca 0.21 -0.47 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 2g5m h SER 74 Cb -0.02 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2g5m h SER 74 CO -0.05 1.19 0.12 0.15 -1.14 0.00 0.00 176.83 177.10 2g5m h PHE 75 N 0.65 0.53 -0.43 3.45 3.04 -1.70 -0.79 116.94 121.70 2g5m h PHE 75 Ca 0.06 -0.05 0.03 0.00 3.98 0.00 0.00 57.97 61.99 2g5m h PHE 75 Cb 0.93 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.25 2g5m h PHE 75 CO 0.07 0.51 0.23 0.00 -2.02 0.00 0.00 178.31 177.10 2g5m h ALA 76 N 0.97 0.54 -0.49 2.41 0.00 -1.10 0.48 119.26 122.07 2g5m h ALA 76 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2g5m h ALA 76 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2g5m h ALA 76 CO -0.01 -0.10 0.30 0.00 0.00 0.00 0.00 179.25 179.44 2g5m h ALA 77 N 1.20 1.61 0.00 0.00 0.00 -1.03 -2.16 119.26 118.89 2g5m h ALA 77 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2g5m h ALA 77 Cb 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2g5m h ALA 77 CO -0.10 0.34 -0.18 0.77 0.00 0.00 0.00 179.25 180.08 2g5m h SER 78 N 0.66 0.00 0.81 0.00 0.02 -0.17 -3.16 113.55 111.71 2g5m h SER 78 Ca 0.18 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.91 2g5m h SER 78 Cb -0.04 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2g5m h SER 78 CO -0.03 0.15 -0.99 1.62 -1.14 0.00 0.00 176.83 176.43 2g5m h VAL 79 N 0.00 1.61 0.00 2.27 3.04 -0.29 -2.61 116.25 120.27 2g5m h VAL 79 Ca -0.00 -3.07 0.00 0.00 -1.01 0.00 0.00 66.70 62.61 2g5m h VAL 79 Cb 1.11 2.73 0.00 0.00 -2.01 0.00 0.00 31.29 33.12 2g5m h VAL 79 CO 0.02 0.89 0.00 0.18 -1.01 0.00 0.00 177.57 177.64 2g5m n LEU 80 N -3.49 0.50 -0.54 3.16 4.77 -1.07 -1.47 117.00 118.86 2g5m n LEU 80 Ca -0.03 0.63 0.07 0.00 -0.03 0.00 0.00 56.01 56.66 2g5m n LEU 80 Cb 0.90 -0.57 0.05 0.00 -2.33 0.00 0.00 43.42 41.47 2g5m n LEU 80 CO 0.48 -0.51 0.45 0.54 -1.33 0.00 0.00 177.39 177.02 2g5m n ARG 81 N -2.06 1.13 -0.03 3.23 1.74 -1.06 -4.33 116.66 115.27 2g5m n ARG 81 Ca 0.02 -1.28 0.03 0.00 -0.77 0.00 0.00 57.85 55.86 2g5m n ARG 81 Cb 0.20 -1.27 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.68 0.09 -4.65 0.55 5.15 -0.54 -5.00 115.26 111.54 2g5m n ASN 82 Ca 0.08 0.04 -0.29 0.00 -0.60 0.00 0.00 54.58 53.81 2g5m n ASN 82 Cb 0.35 1.49 0.19 0.00 -0.53 0.00 0.00 39.78 41.28 2g5m n ASN 82 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2g5m s THR 83 N -3.13 2.07 0.10 -0.44 -4.23 -0.97 -5.06 115.64 103.98 2g5m s THR 83 Ca -0.08 0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 60.43 2g5m s THR 83 Cb 0.11 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.53 2g5m s THR 83 CO 0.87 -0.03 0.09 0.29 -0.54 0.00 0.00 174.62 175.30 2g5m n LYS 84 N -4.30 -1.11 -0.07 3.99 4.76 -1.26 -4.94 118.16 115.23 2g5m n LYS 84 Ca 0.05 -0.14 0.01 0.00 -2.87 0.00 0.00 58.31 55.36 2g5m n LYS 84 Cb 0.57 -0.13 0.32 0.00 -1.84 0.00 0.00 35.03 33.95 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 -0.64 0.73 -6.63 0.72 0.00 -1.97 -3.40 103.07 91.88 2g5m h GLY 85 Ca -0.03 -0.32 -0.28 0.00 0.00 0.00 0.00 47.33 46.70 2g5m h GLY 85 CO 0.02 0.31 -0.63 -1.60 0.00 0.00 0.00 176.54 174.64 2g5m s ARG 86 N -5.42 0.05 0.09 4.80 3.52 -1.26 -4.63 118.95 116.09 2g5m s ARG 86 Ca -0.09 0.44 0.04 0.00 -0.13 0.00 0.00 55.73 55.99 2g5m s ARG 86 Cb 0.17 -0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.28 2g5m s ARG 86 CO 0.76 -0.24 -0.10 0.14 -0.81 0.00 0.00 175.30 175.05 2g5m s VAL 87 N 1.72 0.92 0.54 7.11 -7.23 -1.06 -4.99 120.40 117.40 2g5m s VAL 87 Ca -0.03 -1.59 0.03 0.00 -1.81 0.00 0.00 61.98 58.58 2g5m s VAL 87 Cb -0.12 -1.30 0.04 0.00 0.56 0.00 0.00 36.38 35.56 2g5m s VAL 87 CO -0.05 -0.53 0.75 -0.13 -0.31 0.00 0.00 175.10 174.83 2g5m s ARG 88 N -2.66 2.54 -0.01 4.82 0.52 -1.26 -1.20 118.95 121.70 2g5m s ARG 88 Ca 0.04 -0.90 -0.08 0.00 -0.52 0.00 0.00 55.73 54.27 2g5m s ARG 88 Cb -0.04 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 32.91 2g5m s ARG 88 CO 0.00 -0.68 0.17 -0.06 0.02 0.00 0.00 175.30 174.75 2g5m s PHE 89 N -2.71 -0.02 -0.40 -0.53 0.08 0.14 0.10 117.98 114.65 2g5m s PHE 89 Ca 0.58 -0.02 -0.12 0.00 0.12 0.00 0.00 56.93 57.49 2g5m s PHE 89 Cb -0.10 -0.01 0.04 0.00 -0.57 0.00 0.00 43.02 42.38 2g5m s PHE 89 CO 0.38 -0.29 0.25 -1.64 -0.10 0.00 0.00 175.22 173.82 2g5m s MET 90 N -1.25 2.82 -0.40 0.44 -1.94 0.74 -0.05 119.30 119.66 2g5m s MET 90 Ca -0.13 -1.17 -0.15 0.00 -1.71 0.00 0.00 55.69 52.52 2g5m s MET 90 Cb -0.07 -3.83 0.01 0.00 2.01 0.00 0.00 34.83 32.96 2g5m s MET 90 CO 0.02 -0.79 0.34 0.42 -0.01 0.00 0.00 175.02 174.99 2g5m s ILE 91 N 1.56 5.21 -0.45 2.53 1.09 0.44 -2.19 121.20 129.38 2g5m s ILE 91 Ca 0.03 -0.47 -0.12 0.00 -1.10 0.00 0.00 60.65 58.99 2g5m s ILE 91 Cb -0.20 -3.93 0.09 0.00 -1.06 0.00 0.00 42.46 37.35 2g5m s ILE 91 CO 0.06 -0.30 0.34 -0.83 -0.10 0.00 0.00 174.94 174.11 2g5m s GLY 92 N 1.73 2.01 0.35 6.18 0.00 -1.24 -0.50 107.32 115.85 2g5m s GLY 92 Ca 0.08 -2.24 -0.16 0.00 0.00 0.00 0.00 44.72 42.39 2g5m s GLY 92 CO 0.11 1.04 0.79 1.09 0.00 0.00 0.00 173.10 176.13 2g5m s ARG 93 N 1.49 4.06 -1.37 2.90 1.70 -0.79 -4.78 118.95 122.16 2g5m s ARG 93 Ca 0.04 0.78 -0.14 0.00 -0.47 0.00 0.00 55.73 55.93 2g5m s ARG 93 Cb -0.25 -2.37 0.08 0.00 -0.57 0.00 0.00 34.95 31.85 2g5m s ARG 93 CO 0.03 0.11 1.97 -1.91 -1.08 0.00 0.00 175.30 174.42 2g5m n GLU 94 N -0.44 3.11 0.28 3.89 2.13 -1.26 -3.05 120.64 125.29 2g5m n GLU 94 Ca 0.04 -3.04 -0.14 0.00 0.66 0.00 0.00 57.16 54.69 2g5m n GLU 94 Cb 0.53 -3.27 -0.07 0.00 0.27 0.00 0.00 31.44 28.90 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 6.48 -0.70 -6.49 5.31 2.43 -1.92 -3.44 114.38 116.06 2g5m h ARG 95 Ca 0.49 0.05 -0.53 0.00 -0.81 0.00 0.00 59.98 59.18 2g5m h ARG 95 Cb 0.72 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 2g5m h ARG 95 CO 1.68 -0.39 -0.05 -1.25 -1.51 0.00 0.00 179.97 178.45 2g5m s PRO 96 N -4.76 3.91 0.00 0.20 0.04 -1.26 -4.75 135.00 128.38 2g5m s PRO 96 Ca -0.14 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.34 2g5m s PRO 96 Cb 0.02 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2g5m s PRO 96 CO 0.48 0.32 0.00 0.41 0.04 0.00 0.00 177.00 178.25 2g5m n GLY 97 N 0.06 0.62 0.84 0.56 0.00 -1.26 -4.93 105.19 101.07 2g5m n GLY 97 Ca -0.00 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 2.13 -1.88 1.61 1.02 -1.26 -5.02 120.64 117.24 2g5m n GLU 98 Ca 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.46 2g5m n GLU 98 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 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 0.93 -4.20 -0.57 3.49 -0.06 -1.26 -5.11 117.38 110.60 2g5m n GLN 99 Ca 0.17 3.12 0.00 0.00 -2.00 0.00 0.00 57.00 58.30 2g5m n GLN 99 Cb 0.49 -3.54 0.00 0.00 -4.06 0.00 0.00 30.24 23.13 2g5m n GLN 99 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2g5m n SER 100 N 1.45 1.26 0.13 1.69 7.64 -1.26 -5.01 113.62 119.53 2g5m n SER 100 Ca 0.00 -0.29 0.13 0.00 1.01 0.00 0.00 58.87 59.72 2g5m n SER 100 Cb 0.00 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 63.66 2g5m n SER 100 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2g5m h GLU 101 N 0.00 0.00 -5.59 1.43 3.07 -2.00 -3.37 114.58 108.12 2g5m h GLU 101 Ca 0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.26 2g5m h GLU 101 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.85 2g5m h GLU 101 CO 0.00 0.00 2.01 1.33 -1.40 0.00 0.00 179.01 180.95 2g5m n VAL 102 N -2.34 3.37 0.03 3.13 0.24 -1.26 -3.95 118.33 117.55 2g5m n VAL 102 Ca 0.03 -3.45 0.00 0.00 -2.04 0.00 0.00 64.34 58.88 2g5m n VAL 102 Cb 0.33 -2.32 0.00 0.00 -1.47 0.00 0.00 33.84 30.37 2g5m n VAL 102 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2g5m n ALA 103 N 9.65 3.00 -2.89 2.33 0.00 -1.26 -4.91 120.51 126.43 2g5m n ALA 103 Ca 0.48 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.49 2g5m n ALA 103 Cb 0.45 0.25 -0.04 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.00 3.21 -0.38 0.00 0.74 -1.25 -4.99 119.66 114.99 2g5m s GLN 104 Ca 0.00 -1.08 -0.25 0.00 0.05 0.00 0.00 55.36 54.07 2g5m s GLN 104 Cb 0.00 -4.40 0.02 0.00 1.10 0.00 0.00 33.01 29.73 2g5m s GLN 104 CO 0.00 -1.79 0.91 -0.51 -0.55 0.00 0.00 175.29 173.35 2g5m s LEU 105 N 3.65 4.02 0.00 3.68 1.43 -1.26 -4.93 118.68 125.27 2g5m s LEU 105 Ca 0.24 0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.81 2g5m s LEU 105 Cb -0.15 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 2g5m s LEU 105 CO 0.05 -0.86 0.74 0.40 0.23 0.00 0.00 176.35 176.92 2g5m h ILE 106 N 5.84 0.00 0.00 -0.59 1.08 -1.95 -3.46 117.51 118.44 2g5m h ILE 106 Ca -0.23 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2g5m h ILE 106 Cb 1.08 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 2g5m h ILE 106 CO 0.98 0.00 0.00 1.67 -0.69 0.00 0.00 178.15 180.11 2g5m n GLN 107 N -2.39 0.00 -1.94 2.37 -0.06 -1.26 -3.70 117.38 110.40 2g5m n GLN 107 Ca -0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.97 2g5m n GLN 107 Cb 0.04 -1.51 0.00 0.00 -4.06 0.00 0.00 30.24 24.71 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 -0.19 -0.57 -1.40 3.69 1.13 -1.26 -4.89 117.38 113.89 2g5m n GLN 108 Ca 0.00 0.91 -0.39 0.00 -1.94 0.00 0.00 57.00 55.58 2g5m n GLN 108 Cb 0.00 -2.78 -0.02 0.00 0.11 0.00 0.00 30.24 27.55 2g5m n GLN 108 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2g5m n THR 109 N -0.80 3.38 -0.05 5.09 5.66 -1.24 -4.04 114.28 122.27 2g5m n THR 109 Ca 0.02 -2.49 -0.07 0.00 -3.05 0.00 0.00 64.05 58.46 2g5m n THR 109 Cb 0.30 -2.52 -0.05 0.00 -1.55 0.00 0.00 70.33 66.52 2g5m n THR 109 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2g5m n LEU 110 N 5.27 2.88 -3.26 1.09 4.77 -1.26 -5.06 117.00 121.43 2g5m n LEU 110 Ca 0.59 -0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 56.38 2g5m n LEU 110 Cb 0.31 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2g5m n LEU 110 CO 0.88 0.67 0.05 1.21 -1.33 0.00 0.00 177.39 178.87 2g5m n GLU 111 N -2.80 -1.70 0.04 3.23 2.13 -1.26 -4.93 120.64 115.36 2g5m n GLU 111 Ca -0.19 1.44 0.03 0.00 0.66 0.00 0.00 57.16 59.10 2g5m n GLU 111 Cb 0.71 -4.35 -0.07 0.00 0.27 0.00 0.00 31.44 27.99 2g5m n GLU 111 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2g5m n GLN 112 N -1.44 0.62 0.00 5.31 7.27 -1.26 -5.29 117.38 122.59 2g5m n GLN 112 Ca -0.07 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.17 2g5m n GLN 112 Cb 0.57 -1.79 0.00 0.00 2.41 0.00 0.00 30.24 31.43 2g5m n GLN 112 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22