#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 -0.72 -2.40 1.61 -0.00 -1.26 -4.86 115.22 107.58 2g5m n HIS 2 Ca 0.00 0.40 -0.42 0.00 -0.00 0.00 0.00 57.72 57.70 2g5m n HIS 2 Cb 0.00 -0.79 -0.03 0.00 -0.00 0.00 0.00 29.99 29.17 2g5m n HIS 2 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2g5m s MET 3 N -3.62 4.42 -0.63 -0.41 1.00 -1.26 -4.33 119.30 114.46 2g5m s MET 3 Ca 0.00 1.79 -0.27 0.00 0.00 0.00 0.00 55.69 57.21 2g5m s MET 3 Cb 0.00 -3.35 0.01 0.00 0.00 0.00 0.00 34.83 31.49 2g5m s MET 3 CO 0.00 -0.28 1.47 -1.21 0.00 0.00 0.00 175.02 175.00 2g5m s GLU 4 N 1.14 3.10 -1.12 2.03 2.02 0.02 -4.69 118.70 121.21 2g5m s GLU 4 Ca 0.59 0.25 -0.18 0.00 0.02 0.00 0.00 54.97 55.65 2g5m s GLU 4 Cb -0.30 -4.21 0.12 0.00 0.10 0.00 0.00 34.13 29.84 2g5m s GLU 4 CO 0.29 -2.20 1.41 -0.51 0.02 0.00 0.00 175.26 174.27 2g5m s LEU 5 N 6.66 4.53 -0.01 1.80 2.01 -1.24 -2.94 118.68 129.50 2g5m s LEU 5 Ca 0.50 -2.34 0.04 0.00 0.01 0.00 0.00 54.13 52.34 2g5m s LEU 5 Cb -0.10 -2.47 -0.03 0.00 0.01 0.00 0.00 46.19 43.60 2g5m s LEU 5 CO 0.20 -1.06 -0.13 0.72 1.01 0.00 0.00 176.35 177.10 2g5m s PHE 6 N 3.03 2.73 0.04 0.29 -0.12 -0.12 -4.87 117.98 118.97 2g5m s PHE 6 Ca 0.43 -0.14 -0.30 0.00 -0.05 0.00 0.00 56.93 56.87 2g5m s PHE 6 Cb -0.01 -1.58 -0.04 0.00 -0.63 0.00 0.00 43.02 40.76 2g5m s PHE 6 CO -0.03 0.27 0.97 -1.25 -0.05 0.00 0.00 175.22 175.14 2g5m s PRO 7 N -1.17 4.61 -0.01 1.99 0.04 -1.26 -0.14 135.00 139.06 2g5m s PRO 7 Ca 0.14 1.43 0.08 0.00 0.04 0.00 0.00 61.00 62.69 2g5m s PRO 7 Cb -0.11 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 2g5m s PRO 7 CO 0.04 0.04 -0.24 0.08 0.04 0.00 0.00 177.00 176.96 2g5m s VAL 8 N 0.66 2.23 -0.01 -0.36 1.01 0.84 -4.93 120.40 119.85 2g5m s VAL 8 Ca 0.50 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 61.39 2g5m s VAL 8 Cb -0.22 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 2g5m s VAL 8 CO 0.29 0.52 -0.13 -0.70 0.00 0.00 0.00 175.10 175.08 2g5m s GLU 9 N -0.81 1.09 0.06 2.72 2.12 -1.26 0.55 118.70 123.16 2g5m s GLU 9 Ca 0.11 -0.47 -0.06 0.00 0.36 0.00 0.00 54.97 54.91 2g5m s GLU 9 Cb -0.10 -1.05 -0.01 0.00 0.26 0.00 0.00 34.13 33.23 2g5m s GLU 9 CO 0.00 0.28 0.10 -0.51 -0.54 0.00 0.00 175.26 174.59 2g5m s LEU 10 N -0.28 1.81 -0.11 2.70 1.43 -1.03 -4.86 118.68 118.35 2g5m s LEU 10 Ca 0.04 -0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 52.33 2g5m s LEU 10 Cb -0.05 0.67 -0.05 0.00 0.03 0.00 0.00 46.19 46.79 2g5m s LEU 10 CO -0.00 -0.60 0.34 -1.61 0.23 0.00 0.00 176.35 174.70 2g5m s GLU 11 N -3.31 4.13 0.12 1.70 0.41 -1.26 -3.04 118.70 117.44 2g5m s GLU 11 Ca 0.01 0.21 -0.29 0.00 -0.41 0.00 0.00 54.97 54.49 2g5m s GLU 11 Cb 0.03 -3.36 -0.06 0.00 -1.78 0.00 0.00 34.13 28.96 2g5m s GLU 11 CO -0.08 0.37 0.93 -1.59 -0.49 0.00 0.00 175.26 174.40 2g5m s LYS 12 N 0.02 4.69 0.72 1.61 0.00 0.22 -4.62 119.74 122.38 2g5m s LYS 12 Ca 0.20 1.40 -0.07 0.00 0.00 0.00 0.00 55.97 57.49 2g5m s LYS 12 Cb -0.14 -3.36 0.16 0.00 0.00 0.00 0.00 37.83 34.48 2g5m s LYS 12 CO 0.07 0.26 0.98 -0.40 0.00 0.00 0.00 175.35 176.26 2g5m n ASP 13 N 2.63 0.57 0.21 0.03 5.68 0.69 -4.94 116.55 121.41 2g5m n ASP 13 Ca 0.01 -1.66 0.07 0.00 -0.50 0.00 0.00 54.79 52.72 2g5m n ASP 13 Cb 0.49 -0.70 0.47 0.00 -1.14 0.00 0.00 41.12 40.23 2g5m n ASP 13 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2g5m h SER 14 N -1.01 0.00 0.08 -1.12 0.02 -1.96 -2.80 113.55 106.76 2g5m h SER 14 Ca -0.32 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.48 2g5m h SER 14 Cb 1.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.55 2g5m h SER 14 CO 0.27 0.29 -0.70 -0.08 -1.14 0.00 0.00 176.83 175.47 2g5m h GLU 15 N 0.00 0.17 0.00 3.45 4.57 -1.93 -3.49 114.58 117.34 2g5m h GLU 15 Ca -0.00 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2g5m h GLU 15 Cb 0.67 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2g5m h GLU 15 CO 0.04 1.14 0.00 0.41 -1.18 0.00 0.00 179.01 179.41 2g5m n GLY 16 N 1.64 -1.74 3.15 1.92 0.00 -1.06 -5.06 105.19 104.04 2g5m n GLY 16 Ca -0.16 0.60 0.04 0.00 0.00 0.00 0.00 46.02 46.50 2g5m n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2g5m s LEU 17 N 0.00 -1.14 -0.58 0.99 2.96 -1.26 -0.23 118.68 119.43 2g5m s LEU 17 Ca 0.00 0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 54.48 2g5m s LEU 17 Cb 0.00 1.91 -0.04 0.00 0.50 0.00 0.00 46.19 48.56 2g5m s LEU 17 CO 0.00 -0.21 1.75 0.61 -1.32 0.00 0.00 176.35 177.18 2g5m n GLY 18 N 5.43 2.59 2.87 7.98 0.00 -1.26 -4.65 105.19 118.14 2g5m n GLY 18 Ca -0.01 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 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 4.32 0.00 -3.60 -0.61 -5.35 -1.26 -0.20 119.36 112.67 2g5m n ILE 19 Ca 0.29 -1.80 -0.11 0.00 -0.27 0.00 0.00 62.75 60.87 2g5m n ILE 19 Cb 0.11 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.98 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 -2.95 -0.36 0.15 7.28 0.01 -0.30 -4.86 113.70 112.67 2g5m s SER 20 Ca 0.29 -0.26 0.09 0.00 1.31 0.00 0.00 55.95 57.38 2g5m s SER 20 Cb 0.00 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 2g5m s SER 20 CO 0.21 -0.97 -0.20 0.27 0.41 0.00 0.00 173.24 172.96 2g5m s ILE 21 N -3.81 1.85 -0.02 1.44 -4.36 -1.26 0.31 121.20 115.35 2g5m s ILE 21 Ca 0.04 -1.82 0.01 0.00 -0.26 0.00 0.00 60.65 58.62 2g5m s ILE 21 Cb -0.00 -1.79 0.01 0.00 1.25 0.00 0.00 42.46 41.92 2g5m s ILE 21 CO -0.09 -0.21 -0.02 -0.51 0.24 0.00 0.00 174.94 174.35 2g5m s ILE 22 N -1.74 0.22 -0.59 8.37 1.10 0.10 -4.57 121.20 124.09 2g5m s ILE 22 Ca 0.14 -0.03 -0.23 0.00 -0.51 0.00 0.00 60.65 60.01 2g5m s ILE 22 Cb -0.07 -0.24 0.05 0.00 0.15 0.00 0.00 42.46 42.35 2g5m s ILE 22 CO 0.06 0.11 0.91 -0.83 -2.11 0.00 0.00 174.94 173.08 2g5m s GLY 23 N 0.44 1.44 -0.29 1.50 0.00 -1.26 -1.05 107.32 108.10 2g5m s GLY 23 Ca -0.04 -1.52 -0.08 0.00 0.00 0.00 0.00 44.72 43.08 2g5m s GLY 23 CO -0.01 1.99 0.10 1.06 0.00 0.00 0.00 173.10 176.24 2g5m s MET 24 N 3.84 3.32 0.00 2.90 -1.94 0.22 -4.97 119.30 122.68 2g5m s MET 24 Ca 0.26 -0.71 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 2g5m s MET 24 Cb -0.15 -3.42 0.00 0.00 2.01 0.00 0.00 34.83 33.27 2g5m s MET 24 CO 0.15 -0.37 0.00 0.41 -0.01 0.00 0.00 175.02 175.20 2g5m n GLY 25 N 4.92 4.39 2.70 -0.03 0.00 -1.26 -0.53 105.19 115.37 2g5m n GLY 25 Ca -0.15 -1.38 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 2g5m n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g5m s ALA 26 N -2.04 -0.05 -0.03 4.61 0.00 -1.26 -4.90 121.76 118.09 2g5m s ALA 26 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.82 2g5m s ALA 26 Cb 0.00 -1.37 0.04 0.00 0.00 0.00 0.00 23.12 21.79 2g5m s ALA 26 CO 0.00 -1.36 0.53 0.41 0.00 0.00 0.00 175.76 175.34 2g5m n GLY 27 N 5.30 -0.02 3.17 0.00 0.00 -1.26 -5.02 105.19 107.36 2g5m n GLY 27 Ca -0.05 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2g5m n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g5m n ALA 28 N -0.15 4.56 -0.54 4.61 0.00 -1.26 -0.88 120.51 126.86 2g5m n ALA 28 Ca -0.10 -4.11 0.08 0.00 0.00 0.00 0.00 53.44 49.31 2g5m n ALA 28 Cb 0.48 -3.25 0.27 0.00 0.00 0.00 0.00 19.45 16.95 2g5m n ALA 28 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2g5m n ASP 29 N 5.83 3.91 0.00 0.00 2.03 -1.26 -4.92 116.55 122.13 2g5m n ASP 29 Ca 0.43 -2.39 0.00 0.00 0.52 0.00 0.00 54.79 53.35 2g5m n ASP 29 Cb 0.41 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 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 0.60 -1.45 -1.05 -0.67 2.81 -1.26 -4.62 117.12 111.48 2g5m n MET 30 Ca 0.20 0.36 -0.05 0.00 -1.81 0.00 0.00 57.70 56.40 2g5m n MET 30 Cb 0.72 -4.54 -0.05 0.00 -0.71 0.00 0.00 33.22 28.63 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 -0.02 0.59 2.00 3.03 0.00 -1.26 -4.96 105.19 104.57 2g5m n GLY 31 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.07 -0.10 -3.77 0.99 4.77 -1.26 -5.09 117.00 112.61 2g5m n LEU 32 Ca -0.22 0.04 -0.26 0.00 -0.03 0.00 0.00 56.01 55.54 2g5m n LEU 32 Cb 0.76 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 2g5m n LEU 32 CO -0.12 -0.50 -0.25 -1.84 -1.33 0.00 0.00 177.39 173.35 2g5m n GLU 33 N -2.56 -1.58 -3.61 3.23 0.28 -0.05 -4.96 120.64 111.39 2g5m n GLU 33 Ca 0.00 0.81 -0.28 0.00 -0.16 0.00 0.00 57.16 57.53 2g5m n GLU 33 Cb 0.00 -2.27 -0.12 0.00 1.43 0.00 0.00 31.44 30.48 2g5m n GLU 33 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2g5m s LYS 34 N -4.75 1.24 -0.15 3.44 -0.14 -1.26 -4.33 119.74 113.79 2g5m s LYS 34 Ca 0.03 -2.13 -0.02 0.00 -1.36 0.00 0.00 55.97 52.49 2g5m s LYS 34 Cb -0.00 -2.08 -0.02 0.00 -1.68 0.00 0.00 37.83 34.05 2g5m s LYS 34 CO 0.90 -1.25 -0.08 -0.51 -0.76 0.00 0.00 175.35 173.64 2g5m s LEU 35 N 0.11 2.98 -0.95 3.17 2.01 -1.26 -4.68 118.68 120.07 2g5m s LEU 35 Ca 0.23 -0.24 -0.15 0.00 0.01 0.00 0.00 54.13 53.98 2g5m s LEU 35 Cb -0.13 -1.70 0.19 0.00 0.01 0.00 0.00 46.19 44.55 2g5m s LEU 35 CO -0.08 0.15 1.03 -0.83 1.01 0.00 0.00 176.35 177.64 2g5m s GLY 36 N 0.44 2.42 -1.29 -3.19 0.00 0.31 -4.78 107.32 101.22 2g5m s GLY 36 Ca -0.07 -3.18 -0.16 0.00 0.00 0.00 0.00 44.72 41.32 2g5m s GLY 36 CO 0.04 1.66 1.72 1.39 0.00 0.00 0.00 173.10 177.91 2g5m n ILE 37 N 4.49 3.99 -1.99 0.90 2.08 -1.26 -0.61 119.36 126.97 2g5m n ILE 37 Ca 0.22 -4.16 -0.28 0.00 0.56 0.00 0.00 62.75 59.08 2g5m n ILE 37 Cb 0.46 -2.41 0.08 0.00 -0.75 0.00 0.00 39.64 37.03 2g5m n ILE 37 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2g5m s PHE 38 N 3.22 2.95 0.02 1.39 0.08 -0.21 -4.05 117.98 121.39 2g5m s PHE 38 Ca 0.50 0.67 -0.30 0.00 0.12 0.00 0.00 56.93 57.92 2g5m s PHE 38 Cb 0.04 -3.39 -0.05 0.00 -0.57 0.00 0.00 43.02 39.05 2g5m s PHE 38 CO 0.04 -1.65 1.15 0.08 -0.10 0.00 0.00 175.22 174.74 2g5m s VAL 39 N -3.47 4.26 -0.15 -0.44 1.01 -0.50 0.00 120.40 121.11 2g5m s VAL 39 Ca 0.61 1.61 -0.16 0.00 0.00 0.00 0.00 61.98 64.05 2g5m s VAL 39 Cb -0.11 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 32.10 2g5m s VAL 39 CO 0.48 0.10 0.25 0.50 0.00 0.00 0.00 175.10 176.43 2g5m h LYS 40 N 6.94 0.00 -4.26 2.72 3.11 -0.39 -3.41 116.57 121.27 2g5m h LYS 40 Ca -0.40 0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.18 2g5m h LYS 40 Cb 1.20 0.00 -0.11 0.00 -1.00 0.00 0.00 32.23 32.33 2g5m h LYS 40 CO 0.81 0.56 -0.32 -0.08 -2.81 0.00 0.00 179.45 177.61 2g5m s THR 41 N -2.10 0.00 -0.33 1.00 -1.32 -1.20 -4.95 115.64 106.75 2g5m s THR 41 Ca -0.16 -1.71 0.04 0.00 -1.21 0.00 0.00 61.69 58.65 2g5m s THR 41 Cb 0.01 -2.51 0.17 0.00 -1.51 0.00 0.00 72.50 68.67 2g5m s THR 41 CO 0.40 0.00 0.49 0.54 -2.21 0.00 0.00 174.62 173.84 2g5m s VAL 42 N -3.53 -0.74 0.13 5.08 0.11 -1.26 -1.15 120.40 119.04 2g5m s VAL 42 Ca 0.32 -0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.79 2g5m s VAL 42 Cb 0.02 -0.74 -0.06 0.00 -1.53 0.00 0.00 36.38 34.06 2g5m s VAL 42 CO 0.18 -0.21 1.02 -0.89 -3.33 0.00 0.00 175.10 171.86 2g5m s THR 43 N 2.29 4.26 -0.56 5.04 2.01 0.72 -4.77 115.64 124.62 2g5m s THR 43 Ca 0.12 1.89 0.14 0.00 0.31 0.00 0.00 61.69 64.15 2g5m s THR 43 Cb -0.11 -4.21 0.14 0.00 0.01 0.00 0.00 72.50 68.33 2g5m s THR 43 CO -0.20 0.30 1.43 -1.84 -0.69 0.00 0.00 174.62 173.62 2g5m n GLU 44 N 2.66 0.09 0.00 4.92 0.28 -1.26 -1.24 120.64 126.09 2g5m n GLU 44 Ca 0.03 0.54 0.14 0.00 -0.16 0.00 0.00 57.16 57.71 2g5m n GLU 44 Cb 0.48 -1.76 0.63 0.00 1.43 0.00 0.00 31.44 32.22 2g5m n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2g5m n GLY 45 N -1.12 -0.58 3.70 -1.84 0.00 -1.26 -4.77 105.19 99.32 2g5m n GLY 45 Ca -0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.21 2.39 0.22 -0.02 0.00 -0.37 -4.91 107.32 102.42 2g5m s GLY 46 Ca 0.36 -2.18 -0.02 0.00 0.00 0.00 0.00 44.72 42.88 2g5m s GLY 46 CO 0.41 -1.97 1.59 0.00 0.00 0.00 0.00 173.10 173.12 2g5m h ALA 47 N 1.54 0.84 -0.96 3.20 0.00 -1.86 -3.19 119.26 118.83 2g5m h ALA 47 Ca -0.43 -0.43 0.07 0.00 0.00 0.00 0.00 54.91 54.12 2g5m h ALA 47 Cb 1.25 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2g5m h ALA 47 CO 0.74 0.64 0.61 0.00 0.00 0.00 0.00 179.25 181.24 2g5m h ALA 48 N 1.08 1.34 -0.22 0.00 0.00 -1.82 0.26 119.26 119.90 2g5m h ALA 48 Ca 0.05 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2g5m h ALA 48 Cb 0.89 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2g5m h ALA 48 CO 0.08 0.38 -0.42 1.25 0.00 0.00 0.00 179.25 180.54 2g5m h HIS 49 N 1.11 0.84 0.00 0.00 6.17 -1.72 -1.83 115.15 119.72 2g5m h HIS 49 Ca 0.42 -0.30 -0.13 0.00 0.71 0.00 0.00 60.37 61.06 2g5m h HIS 49 Cb 0.19 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 29.95 2g5m h HIS 49 CO -0.01 1.07 -0.64 0.00 0.71 0.00 0.00 177.93 179.06 2g5m h ARG 50 N 0.37 0.00 0.21 5.26 3.08 -1.42 -3.22 114.38 118.65 2g5m h ARG 50 Ca 0.01 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.78 2g5m h ARG 50 Cb 1.02 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.10 2g5m h ARG 50 CO 0.09 0.64 -1.27 0.22 -1.07 0.00 0.00 179.97 178.59 2g5m h ASP 51 N 0.00 0.68 -1.07 7.04 3.58 -0.49 -3.49 116.42 122.67 2g5m h ASP 51 Ca -0.01 -0.93 0.00 0.00 0.42 0.00 0.00 57.03 56.51 2g5m h ASP 51 Cb 1.25 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2g5m h ASP 51 CO 0.08 1.61 0.00 0.61 -2.88 0.00 0.00 179.24 178.66 2g5m n GLY 52 N 1.71 0.80 0.76 -0.78 0.00 -0.69 -5.02 105.19 101.98 2g5m n GLY 52 Ca -0.17 -0.50 -0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.42 1.61 5.12 -1.24 -4.98 116.66 114.21 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 0.41 -0.14 -0.04 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 -1.03 3.57 0.31 0.55 1.01 -1.26 -5.00 121.20 119.34 2g5m s ILE 54 Ca -0.00 1.41 0.10 0.00 0.00 0.00 0.00 60.65 62.16 2g5m s ILE 54 Cb 0.00 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 2g5m s ILE 54 CO 0.00 0.27 -0.10 -1.10 0.00 0.00 0.00 174.94 174.01 2g5m s GLN 55 N -0.71 1.89 0.00 2.79 -0.21 -1.26 -4.69 119.66 117.46 2g5m s GLN 55 Ca 0.49 -1.77 0.21 0.00 0.02 0.00 0.00 55.36 54.31 2g5m s GLN 55 Cb -0.32 -1.84 1.10 0.00 1.00 0.00 0.00 33.01 32.95 2g5m s GLN 55 CO 0.38 0.24 1.66 1.55 -2.12 0.00 0.00 175.29 177.00 2g5m n VAL 56 N -0.78 0.28 0.17 1.09 3.14 -1.26 -2.84 118.33 118.13 2g5m n VAL 56 Ca -0.05 0.07 0.02 0.00 -2.96 0.00 0.00 64.34 61.42 2g5m n VAL 56 Cb 0.61 -0.73 -0.00 0.00 -1.06 0.00 0.00 33.84 32.66 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 -1.22 0.70 -3.38 6.55 0.23 -1.26 -4.54 115.26 112.34 2g5m n ASN 57 Ca 0.11 -0.85 -0.13 0.00 -0.53 0.00 0.00 54.58 53.18 2g5m n ASN 57 Cb 0.14 0.55 0.07 0.00 -2.08 0.00 0.00 39.78 38.46 2g5m n ASN 57 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2g5m n ASP 58 N -0.49 0.69 -3.77 0.53 5.68 -1.13 -4.83 116.55 113.24 2g5m n ASP 58 Ca 0.01 -1.60 -0.16 0.00 -0.50 0.00 0.00 54.79 52.54 2g5m n ASP 58 Cb 0.08 -0.38 -0.16 0.00 -1.14 0.00 0.00 41.12 39.52 2g5m n ASP 58 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2g5m s LEU 59 N 0.00 0.93 -0.80 -2.12 2.96 -1.26 -1.40 118.68 116.98 2g5m s LEU 59 Ca 0.37 0.03 -0.22 0.00 -0.22 0.00 0.00 54.13 54.09 2g5m s LEU 59 Cb -0.02 -0.13 0.09 0.00 0.50 0.00 0.00 46.19 46.63 2g5m s LEU 59 CO 0.25 -0.14 1.10 -0.76 -1.32 0.00 0.00 176.35 175.47 2g5m s LEU 60 N 1.26 4.43 0.03 -0.68 1.43 -1.26 -2.84 118.68 121.05 2g5m s LEU 60 Ca -0.07 -1.37 -0.18 0.00 -1.03 0.00 0.00 54.13 51.48 2g5m s LEU 60 Cb -0.13 -2.44 -0.23 0.00 0.03 0.00 0.00 46.19 43.42 2g5m s LEU 60 CO -0.03 -1.35 1.13 0.58 0.23 0.00 0.00 176.35 176.92 2g5m h VAL 61 N 6.03 1.38 -3.85 -1.59 2.07 -1.01 -3.47 116.25 115.81 2g5m h VAL 61 Ca -0.08 -2.10 -0.09 0.00 0.82 0.00 0.00 66.70 65.25 2g5m h VAL 61 Cb 1.05 2.50 -0.14 0.00 -1.52 0.00 0.00 31.29 33.18 2g5m h VAL 61 CO 1.19 0.62 -0.38 -1.83 0.02 0.00 0.00 177.57 177.20 2g5m s GLU 62 N -3.28 0.89 0.41 1.57 -1.05 -1.18 -0.94 118.70 115.12 2g5m s GLU 62 Ca -0.12 -1.01 0.03 0.00 -0.15 0.00 0.00 54.97 53.71 2g5m s GLU 62 Cb 0.05 0.34 0.03 0.00 -0.44 0.00 0.00 34.13 34.10 2g5m s GLU 62 CO 0.85 -0.28 0.21 1.55 0.95 0.00 0.00 175.26 178.53 2g5m n VAL 63 N -0.08 0.00 -0.25 1.83 3.14 0.80 -0.32 118.33 123.45 2g5m n VAL 63 Ca -0.14 -1.73 0.05 0.00 -2.96 0.00 0.00 64.34 59.56 2g5m n VAL 63 Cb 0.62 0.03 0.18 0.00 -1.06 0.00 0.00 33.84 33.61 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 0.65 0.03 -0.07 6.55 3.58 -1.03 -3.18 116.42 122.94 2g5m h ASP 64 Ca -0.29 0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.16 2g5m h ASP 64 Cb 0.98 0.19 -0.26 0.00 1.72 0.00 0.00 39.33 41.95 2g5m h ASP 64 CO 0.46 -0.03 -0.85 0.61 -2.88 0.00 0.00 179.24 176.55 2g5m n GLY 65 N -1.35 2.73 3.62 -0.78 0.00 -1.26 -4.95 105.19 103.20 2g5m n GLY 65 Ca 0.14 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.63 -0.00 0.04 2.61 2.01 -1.20 -5.17 115.64 112.30 2g5m s THR 66 Ca 0.36 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.39 2g5m s THR 66 Cb 0.38 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2g5m s THR 66 CO -0.12 0.00 -0.01 -0.44 -0.69 0.00 0.00 174.62 173.37 2g5m s SER 67 N 0.95 5.02 -0.32 3.53 0.01 -1.26 -0.14 113.70 121.48 2g5m s SER 67 Ca -0.05 -0.10 -0.10 0.00 1.31 0.00 0.00 55.95 57.02 2g5m s SER 67 Cb -0.05 -1.24 -0.00 0.00 0.21 0.00 0.00 66.02 64.93 2g5m s SER 67 CO -0.08 0.24 0.16 -0.76 0.41 0.00 0.00 173.24 173.20 2g5m s LEU 68 N -1.85 4.18 0.40 2.44 1.43 -0.11 -4.92 118.68 120.24 2g5m s LEU 68 Ca 0.22 -0.57 0.22 0.00 -1.03 0.00 0.00 54.13 52.97 2g5m s LEU 68 Cb -0.12 -2.00 0.27 0.00 0.03 0.00 0.00 46.19 44.37 2g5m s LEU 68 CO 0.13 -0.21 1.52 1.62 0.23 0.00 0.00 176.35 179.64 2g5m h VAL 69 N 5.68 0.06 0.00 -1.59 3.04 -1.93 -3.45 116.25 118.07 2g5m h VAL 69 Ca -0.31 -1.09 0.00 0.00 -1.01 0.00 0.00 66.70 64.28 2g5m h VAL 69 Cb 1.14 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 2g5m h VAL 69 CO 0.62 0.04 0.00 0.61 -1.01 0.00 0.00 177.57 177.83 2g5m n GLY 70 N 1.12 -0.13 4.00 3.17 0.00 -1.26 -4.52 105.19 107.58 2g5m n GLY 70 Ca 0.03 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 2.04 0.67 1.61 -7.23 -1.26 -4.71 120.40 111.52 2g5m s VAL 71 Ca 0.00 -0.64 -0.09 0.00 -1.81 0.00 0.00 61.98 59.44 2g5m s VAL 71 Cb 0.00 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.56 2g5m s VAL 71 CO 0.00 0.00 1.02 0.42 -0.31 0.00 0.00 175.10 176.23 2g5m s THR 72 N -3.15 3.39 0.22 5.32 -4.23 -1.26 -4.79 115.64 111.14 2g5m s THR 72 Ca 0.67 0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 61.31 2g5m s THR 72 Cb -0.04 -3.41 0.18 0.00 1.34 0.00 0.00 72.50 70.57 2g5m s THR 72 CO 0.45 -0.49 1.88 -0.61 -0.54 0.00 0.00 174.62 175.31 2g5m h GLN 73 N -0.48 1.02 -0.35 3.99 4.15 -1.95 -1.05 115.11 120.44 2g5m h GLN 73 Ca -0.45 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 58.82 2g5m h GLN 73 Cb 1.26 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 2g5m h GLN 73 CO 0.62 0.68 -0.15 0.77 -1.93 0.00 0.00 178.83 178.82 2g5m h SER 74 N 1.05 0.63 -0.20 -0.69 0.02 -1.98 0.42 113.55 112.80 2g5m h SER 74 Ca 0.31 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2g5m h SER 74 Cb -0.07 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2g5m h SER 74 CO -0.08 0.80 -0.01 0.15 -1.14 0.00 0.00 176.83 176.54 2g5m h PHE 75 N 0.58 0.39 -0.82 3.45 3.04 -1.77 -0.74 116.94 121.06 2g5m h PHE 75 Ca 0.10 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2g5m h PHE 75 Cb 0.59 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.96 2g5m h PHE 75 CO 0.03 0.57 0.52 0.00 -2.02 0.00 0.00 178.31 177.40 2g5m h ALA 76 N 0.77 1.05 -0.46 2.41 0.00 -0.93 -1.72 119.26 120.37 2g5m h ALA 76 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2g5m h ALA 76 Cb 0.42 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2g5m h ALA 76 CO 0.01 0.49 0.23 0.00 0.00 0.00 0.00 179.25 179.99 2g5m h ALA 77 N 1.28 1.55 0.00 0.00 0.00 -0.70 -1.35 119.26 120.04 2g5m h ALA 77 Ca 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2g5m h ALA 77 Cb -0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2g5m h ALA 77 CO -0.06 0.37 -0.08 0.77 0.00 0.00 0.00 179.25 180.25 2g5m h SER 78 N 0.64 0.00 0.31 0.00 0.02 -0.30 -3.04 113.55 111.18 2g5m h SER 78 Ca 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2g5m h SER 78 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2g5m h SER 78 CO -0.02 0.08 -0.15 0.58 -1.14 0.00 0.00 176.83 176.17 2g5m h VAL 79 N 0.00 0.42 0.00 2.27 2.07 -0.43 -2.85 116.25 117.73 2g5m h VAL 79 Ca -0.00 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2g5m h VAL 79 Cb 0.90 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2g5m h VAL 79 CO 0.01 0.10 0.10 -0.07 0.02 0.00 0.00 177.57 177.73 2g5m h LEU 80 N -0.99 0.00 0.00 2.57 3.38 -1.54 0.18 115.31 118.92 2g5m h LEU 80 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2g5m h LEU 80 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2g5m h LEU 80 CO 0.07 0.00 -0.81 0.03 0.09 0.00 0.00 178.44 177.82 2g5m h ARG 81 N 0.00 0.00 -0.01 1.13 3.08 -1.47 -3.33 114.38 113.77 2g5m h ARG 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2g5m h ARG 81 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2g5m h ARG 81 CO 0.00 0.00 -0.61 -1.71 -1.07 0.00 0.00 179.97 176.58 2g5m n ASN 82 N -2.49 1.74 -4.90 7.04 5.15 0.59 -4.97 115.26 117.42 2g5m n ASN 82 Ca 0.01 -1.36 -0.28 0.00 -0.60 0.00 0.00 54.58 52.35 2g5m n ASN 82 Cb 0.51 0.61 0.05 0.00 -0.53 0.00 0.00 39.78 40.41 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 -2.62 3.19 0.00 -0.44 -4.23 -0.85 -5.09 115.64 105.61 2g5m s THR 83 Ca 0.16 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 2g5m s THR 83 Cb 0.18 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.67 2g5m s THR 83 CO 0.65 -0.42 0.00 0.29 -0.54 0.00 0.00 174.62 174.60 2g5m n LYS 84 N -2.92 -0.28 0.07 3.99 4.76 -1.26 -4.98 118.16 117.53 2g5m n LYS 84 Ca 0.06 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.41 2g5m n LYS 84 Cb 0.58 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.80 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 -0.26 0.37 -6.62 0.72 0.00 -1.96 -3.43 103.07 91.89 2g5m h GLY 85 Ca 0.00 -0.54 -0.43 0.00 0.00 0.00 0.00 47.33 46.36 2g5m h GLY 85 CO 0.00 0.48 -0.77 -1.60 0.00 0.00 0.00 176.54 174.65 2g5m s ARG 86 N -3.51 0.76 0.09 4.80 3.52 -1.26 -0.61 118.95 122.73 2g5m s ARG 86 Ca -0.05 -0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.55 2g5m s ARG 86 Cb 0.10 -0.93 -0.04 0.00 -1.56 0.00 0.00 34.95 32.52 2g5m s ARG 86 CO 0.83 -0.19 -0.05 0.14 -0.81 0.00 0.00 175.30 175.22 2g5m s VAL 87 N 1.44 0.54 0.30 7.11 -7.23 -1.17 -5.01 120.40 116.38 2g5m s VAL 87 Ca -0.03 -1.90 0.06 0.00 -1.81 0.00 0.00 61.98 58.31 2g5m s VAL 87 Cb -0.13 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.12 2g5m s VAL 87 CO -0.03 -0.88 0.36 -0.13 -0.31 0.00 0.00 175.10 174.11 2g5m s ARG 88 N -3.87 3.09 0.04 4.82 0.52 -1.26 -2.46 118.95 119.83 2g5m s ARG 88 Ca 0.11 -1.01 -0.01 0.00 -0.52 0.00 0.00 55.73 54.30 2g5m s ARG 88 Cb 0.06 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 2g5m s ARG 88 CO -0.06 0.21 -0.02 -0.06 0.02 0.00 0.00 175.30 175.40 2g5m s PHE 89 N -2.15 0.39 -0.28 -0.53 0.08 0.19 -0.33 117.98 115.35 2g5m s PHE 89 Ca 0.40 -0.82 -0.05 0.00 0.12 0.00 0.00 56.93 56.57 2g5m s PHE 89 Cb -0.08 -0.29 0.01 0.00 -0.57 0.00 0.00 43.02 42.09 2g5m s PHE 89 CO 0.29 -0.31 0.04 1.41 -0.10 0.00 0.00 175.22 176.54 2g5m s MET 90 N -2.93 3.03 -0.00 0.44 1.75 0.56 -0.11 119.30 122.04 2g5m s MET 90 Ca -0.02 -0.88 -0.16 0.00 -1.25 0.00 0.00 55.69 53.38 2g5m s MET 90 Cb 0.01 -3.26 -0.06 0.00 2.84 0.00 0.00 34.83 34.36 2g5m s MET 90 CO -0.06 -0.42 0.45 0.42 -0.65 0.00 0.00 175.02 174.75 2g5m s ILE 91 N 1.45 4.99 -0.18 10.11 1.09 0.80 -0.30 121.20 139.17 2g5m s ILE 91 Ca 0.02 0.93 -0.01 0.00 -1.10 0.00 0.00 60.65 60.49 2g5m s ILE 91 Cb -0.17 -3.76 0.05 0.00 -1.06 0.00 0.00 42.46 37.52 2g5m s ILE 91 CO 0.01 0.54 -0.01 -0.83 -0.10 0.00 0.00 174.94 174.54 2g5m s GLY 92 N -0.82 0.86 -0.14 6.18 0.00 -1.13 -0.94 107.32 111.32 2g5m s GLY 92 Ca 0.25 -0.79 -0.06 0.00 0.00 0.00 0.00 44.72 44.12 2g5m s GLY 92 CO 0.14 1.14 0.32 -1.60 0.00 0.00 0.00 173.10 173.10 2g5m s ARG 93 N 1.72 0.26 -1.20 2.90 6.06 -1.15 -4.40 118.95 123.14 2g5m s ARG 93 Ca -0.00 0.74 -0.12 0.00 -2.50 0.00 0.00 55.73 53.85 2g5m s ARG 93 Cb -0.16 -0.00 0.20 0.00 0.06 0.00 0.00 34.95 35.05 2g5m s ARG 93 CO -0.07 -0.21 1.44 -1.91 -2.50 0.00 0.00 175.30 172.05 2g5m n GLU 94 N 4.70 3.51 0.01 5.12 2.13 -1.26 -0.80 120.64 134.06 2g5m n GLU 94 Ca -0.17 -3.97 -0.02 0.00 0.66 0.00 0.00 57.16 53.65 2g5m n GLU 94 Cb 0.52 -2.89 -0.01 0.00 0.27 0.00 0.00 31.44 29.33 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 6.73 -0.14 -7.34 5.31 2.43 -1.97 -3.48 114.38 115.92 2g5m h ARG 95 Ca 0.29 0.01 -0.46 0.00 -0.81 0.00 0.00 59.98 59.01 2g5m h ARG 95 Cb 0.82 0.03 0.08 0.00 -0.42 0.00 0.00 29.97 30.48 2g5m h ARG 95 CO 1.26 -0.09 0.26 -1.25 -1.51 0.00 0.00 179.97 178.64 2g5m s PRO 96 N -2.01 2.22 0.00 0.20 0.04 -1.26 -4.51 135.00 129.67 2g5m s PRO 96 Ca -0.02 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 60.86 2g5m s PRO 96 Cb 0.00 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2g5m s PRO 96 CO 0.07 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.26 2g5m n GLY 97 N -2.97 0.97 0.11 0.56 0.00 -1.26 -4.73 105.19 97.88 2g5m n GLY 97 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 2g5m n GLY 97 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2g5m h GLU 98 N 0.55 -0.15 0.00 1.61 5.08 -1.79 -3.44 114.58 116.44 2g5m h GLU 98 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2g5m h GLU 98 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2g5m h GLU 98 CO 0.00 0.02 0.00 0.94 -1.00 0.00 0.00 179.01 178.97 2g5m n GLN 99 N -4.87 0.00 0.00 2.33 7.27 -1.26 -4.11 117.38 116.74 2g5m n GLN 99 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.04 2g5m n GLN 99 Cb 0.12 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.77 2g5m n GLN 99 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2g5m n SER 100 N 0.86 0.00 -0.60 1.69 2.88 -1.26 -4.92 113.62 112.27 2g5m n SER 100 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2g5m n SER 100 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 2g5m n SER 100 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2g5m n GLU 101 N 0.00 1.17 -4.39 -1.46 1.02 -1.26 -4.78 120.64 110.94 2g5m n GLU 101 Ca 0.00 -0.14 -0.31 0.00 -0.02 0.00 0.00 57.16 56.69 2g5m n GLU 101 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.82 2g5m n GLU 101 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2g5m s VAL 102 N -1.01 3.57 0.00 2.62 1.01 -1.26 -5.01 120.40 120.32 2g5m s VAL 102 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2g5m s VAL 102 Cb 0.02 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.81 2g5m s VAL 102 CO 0.01 0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.41 2g5m n ALA 103 N 1.26 1.95 -2.81 5.51 0.00 -1.26 -4.31 120.51 120.85 2g5m n ALA 103 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 2g5m n ALA 103 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 2g5m n ALA 103 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2g5m s GLN 104 N -0.28 3.44 -0.30 0.00 1.11 -1.26 -4.89 119.66 117.48 2g5m s GLN 104 Ca 0.00 -0.43 -0.01 0.00 0.01 0.00 0.00 55.36 54.92 2g5m s GLN 104 Cb 0.00 -2.92 0.05 0.00 -1.01 0.00 0.00 33.01 29.13 2g5m s GLN 104 CO 0.00 0.45 -0.01 -0.51 0.01 0.00 0.00 175.29 175.23 2g5m s LEU 105 N -0.18 3.87 -0.10 2.90 1.43 -1.26 -4.96 118.68 120.38 2g5m s LEU 105 Ca 0.05 -1.30 -0.06 0.00 -1.03 0.00 0.00 54.13 51.79 2g5m s LEU 105 Cb -0.13 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 2g5m s LEU 105 CO 0.02 -0.26 -0.12 0.40 0.23 0.00 0.00 176.35 176.62 2g5m h ILE 106 N 6.50 0.00 -3.42 -0.59 5.03 -2.07 -3.45 117.51 119.50 2g5m h ILE 106 Ca -0.21 -0.78 -0.61 0.00 -0.12 0.00 0.00 64.86 63.15 2g5m h ILE 106 Cb 1.06 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.72 2g5m h ILE 106 CO 0.53 0.00 -0.49 0.00 -0.68 0.00 0.00 178.15 177.51 2g5m s GLN 107 N -1.89 4.13 -0.21 2.37 0.00 -1.26 -5.06 119.66 117.75 2g5m s GLN 107 Ca -0.10 -0.23 0.00 0.00 -0.00 0.00 0.00 55.36 55.03 2g5m s GLN 107 Cb 0.01 -3.48 0.05 0.00 0.00 0.00 0.00 33.01 29.60 2g5m s GLN 107 CO 0.15 0.18 -0.05 -0.65 0.00 0.00 0.00 175.29 174.92 2g5m s GLN 108 N 0.70 1.54 -0.16 9.60 -0.21 -1.26 -4.98 119.66 124.89 2g5m s GLN 108 Ca 0.08 -0.80 0.10 0.00 0.02 0.00 0.00 55.36 54.76 2g5m s GLN 108 Cb -0.12 -2.38 -0.17 0.00 1.00 0.00 0.00 33.01 31.33 2g5m s GLN 108 CO 0.01 -0.54 -0.01 -2.37 -2.12 0.00 0.00 175.29 170.27 2g5m n THR 109 N 4.76 1.07 -3.49 -0.19 5.66 -1.26 -4.87 114.28 115.95 2g5m n THR 109 Ca -0.12 -0.59 -0.29 0.00 -3.05 0.00 0.00 64.05 60.00 2g5m n THR 109 Cb 0.46 -0.75 -0.12 0.00 -1.55 0.00 0.00 70.33 68.37 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 -5.38 1.31 -0.07 1.09 1.43 -1.26 -4.83 118.68 110.96 2g5m s LEU 110 Ca -0.12 -2.37 0.14 0.00 -1.03 0.00 0.00 54.13 50.74 2g5m s LEU 110 Cb 0.05 -0.50 -0.23 0.00 0.03 0.00 0.00 46.19 45.54 2g5m s LEU 110 CO 0.58 -0.28 0.54 1.21 0.23 0.00 0.00 176.35 178.63 2g5m n GLU 111 N 3.81 0.64 -3.49 1.70 4.07 -1.26 -4.98 120.64 121.14 2g5m n GLU 111 Ca 0.14 0.23 -0.12 0.00 -0.06 0.00 0.00 57.16 57.34 2g5m n GLU 111 Cb 0.38 -1.73 -0.03 0.00 -0.06 0.00 0.00 31.44 29.99 2g5m n GLU 111 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 2g5m s GLN 112 N -2.59 1.20 0.00 5.31 1.03 -1.26 -5.30 119.66 118.05 2g5m s GLN 112 Ca -0.06 -0.45 0.16 0.00 0.04 0.00 0.00 55.36 55.06 2g5m s GLN 112 Cb 0.08 0.55 0.13 0.00 0.03 0.00 0.00 33.01 33.79 2g5m s GLN 112 CO 0.83 -0.50 1.01 0.39 -2.54 0.00 0.00 175.29 174.48