#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 0.40 -3.11 1.61 3.86 -2.05 -3.45 115.15 112.42 2g5m h HIS 2 Ca 0.00 -0.29 -0.59 0.00 -1.16 0.00 0.00 60.37 58.33 2g5m h HIS 2 Cb 0.00 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 2g5m h HIS 2 CO 0.00 1.40 -0.35 0.00 0.86 0.00 0.00 177.93 179.84 2g5m s MET 3 N -2.42 3.58 -0.58 2.45 0.00 -1.26 -4.73 119.30 116.34 2g5m s MET 3 Ca -0.18 -0.15 -0.25 0.00 0.00 0.00 0.00 55.69 55.11 2g5m s MET 3 Cb 0.02 -2.90 0.04 0.00 0.00 0.00 0.00 34.83 32.00 2g5m s MET 3 CO 0.77 0.50 1.01 -1.21 0.00 0.00 0.00 175.02 176.09 2g5m s GLU 4 N -2.58 3.33 -1.19 3.16 2.02 -0.99 -4.78 118.70 117.68 2g5m s GLU 4 Ca 0.39 -0.23 -0.20 0.00 0.02 0.00 0.00 54.97 54.96 2g5m s GLU 4 Cb -0.12 -4.07 0.06 0.00 0.10 0.00 0.00 34.13 30.09 2g5m s GLU 4 CO 0.25 -1.59 1.65 -0.51 0.02 0.00 0.00 175.26 175.07 2g5m s LEU 5 N 4.25 3.69 -0.05 1.80 2.01 -1.25 -1.72 118.68 127.39 2g5m s LEU 5 Ca 0.32 -2.04 -0.03 0.00 0.01 0.00 0.00 54.13 52.39 2g5m s LEU 5 Cb -0.12 -2.58 -0.04 0.00 0.01 0.00 0.00 46.19 43.47 2g5m s LEU 5 CO 0.19 -1.37 0.11 0.72 1.01 0.00 0.00 176.35 177.01 2g5m s PHE 6 N 4.78 3.41 0.12 0.29 -0.12 -0.07 -4.85 117.98 121.54 2g5m s PHE 6 Ca 0.52 0.33 -0.30 0.00 -0.05 0.00 0.00 56.93 57.43 2g5m s PHE 6 Cb 0.02 -1.83 -0.06 0.00 -0.63 0.00 0.00 43.02 40.53 2g5m s PHE 6 CO 0.02 0.61 0.99 -1.25 -0.05 0.00 0.00 175.22 175.54 2g5m s PRO 7 N -1.42 4.68 -0.14 1.99 0.04 -1.26 -0.46 135.00 138.43 2g5m s PRO 7 Ca 0.20 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2g5m s PRO 7 Cb -0.12 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 2g5m s PRO 7 CO 0.10 0.18 -0.14 0.08 0.04 0.00 0.00 177.00 177.26 2g5m s VAL 8 N 0.00 2.85 -0.21 -0.36 1.01 0.91 -4.92 120.40 119.68 2g5m s VAL 8 Ca 0.48 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2g5m s VAL 8 Cb -0.24 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 33.97 2g5m s VAL 8 CO 0.30 0.52 -0.16 -0.70 0.00 0.00 0.00 175.10 175.06 2g5m s GLU 9 N 0.61 2.72 0.13 2.72 2.12 -1.26 0.19 118.70 125.91 2g5m s GLU 9 Ca -0.08 -1.02 0.03 0.00 0.36 0.00 0.00 54.97 54.25 2g5m s GLU 9 Cb -0.16 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 2g5m s GLU 9 CO 0.03 -0.35 0.20 -1.17 -0.54 0.00 0.00 175.26 173.43 2g5m s LEU 10 N 1.23 4.11 -0.50 2.70 0.20 -1.17 -4.87 118.68 120.39 2g5m s LEU 10 Ca -0.00 0.08 -0.16 0.00 0.69 0.00 0.00 54.13 54.74 2g5m s LEU 10 Cb -0.16 -2.72 0.09 0.00 -0.43 0.00 0.00 46.19 42.98 2g5m s LEU 10 CO -0.09 0.10 0.45 -1.61 -0.29 0.00 0.00 176.35 174.90 2g5m s GLU 11 N -2.94 2.99 0.53 1.98 0.41 -1.26 -3.81 118.70 116.60 2g5m s GLU 11 Ca 0.33 -1.45 -0.13 0.00 -0.41 0.00 0.00 54.97 53.31 2g5m s GLU 11 Cb -0.11 -4.19 -0.06 0.00 -1.78 0.00 0.00 34.13 27.99 2g5m s GLU 11 CO 0.26 -1.15 0.95 0.15 -0.49 0.00 0.00 175.26 174.98 2g5m s LYS 12 N 1.69 3.76 0.43 1.61 -0.14 0.14 -4.76 119.74 122.47 2g5m s LYS 12 Ca 0.04 0.74 0.03 0.00 -1.36 0.00 0.00 55.97 55.42 2g5m s LYS 12 Cb -0.26 -2.18 -0.02 0.00 -1.68 0.00 0.00 37.83 33.70 2g5m s LYS 12 CO 0.06 -0.34 0.12 -0.51 -0.76 0.00 0.00 175.35 173.91 2g5m s ASP 13 N -3.58 3.07 0.48 2.83 1.01 -1.26 -4.89 116.67 114.32 2g5m s ASP 13 Ca 0.55 -1.70 0.29 0.00 0.71 0.00 0.00 52.55 52.40 2g5m s ASP 13 Cb -0.10 0.56 0.91 0.00 1.01 0.00 0.00 42.92 45.29 2g5m s ASP 13 CO 0.41 -0.95 1.81 0.28 0.21 0.00 0.00 175.17 176.93 2g5m h SER 14 N 1.68 0.00 -0.09 0.27 0.02 -2.00 -2.40 113.55 111.03 2g5m h SER 14 Ca -0.36 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.46 2g5m h SER 14 Cb 1.28 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.62 2g5m h SER 14 CO 0.58 0.00 -0.76 1.21 -1.14 0.00 0.00 176.83 176.72 2g5m n GLU 15 N -3.02 1.19 0.00 3.45 4.07 -1.26 -4.90 120.64 120.17 2g5m n GLU 15 Ca 0.02 -2.92 0.08 0.00 -0.06 0.00 0.00 57.16 54.29 2g5m n GLU 15 Cb 0.40 -1.09 0.44 0.00 -0.06 0.00 0.00 31.44 31.13 2g5m n GLU 15 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2g5m n GLY 16 N -0.46 -0.81 3.57 8.31 0.00 -0.90 -4.49 105.19 110.40 2g5m n GLY 16 Ca 0.16 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.50 3.39 -0.94 0.99 1.02 -1.26 -3.28 118.68 116.10 2g5m s LEU 17 Ca 0.17 -1.44 -0.03 0.00 0.02 0.00 0.00 54.13 52.86 2g5m s LEU 17 Cb 0.11 -2.57 0.25 0.00 0.02 0.00 0.00 46.19 44.01 2g5m s LEU 17 CO 0.25 -2.09 2.14 0.61 0.02 0.00 0.00 176.35 177.28 2g5m n GLY 18 N 6.41 5.51 2.86 -3.19 0.00 -1.26 -4.77 105.19 110.76 2g5m n GLY 18 Ca 0.40 -2.35 -0.06 0.00 0.00 0.00 0.00 46.02 44.02 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 0.26 0.00 -3.76 -0.61 -5.35 -1.26 -0.41 119.36 108.24 2g5m n ILE 19 Ca 0.52 -0.69 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 2g5m n ILE 19 Cb 0.29 0.72 -0.09 0.00 -1.74 0.00 0.00 39.64 38.82 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 -2.62 -0.27 0.18 7.28 0.01 -0.42 -4.70 113.70 113.15 2g5m s SER 20 Ca 0.13 0.36 0.10 0.00 1.31 0.00 0.00 55.95 57.84 2g5m s SER 20 Cb -0.03 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 2g5m s SER 20 CO 0.08 -0.31 -0.14 0.27 0.41 0.00 0.00 173.24 173.56 2g5m s ILE 21 N -0.66 2.96 -0.03 1.44 -4.36 -1.26 0.66 121.20 119.93 2g5m s ILE 21 Ca -0.08 -1.74 0.04 0.00 -0.26 0.00 0.00 60.65 58.61 2g5m s ILE 21 Cb -0.04 -2.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.22 2g5m s ILE 21 CO 0.03 -0.10 -0.16 -0.51 0.24 0.00 0.00 174.94 174.44 2g5m s ILE 22 N -1.66 1.32 -0.71 8.37 1.10 0.13 -4.66 121.20 125.08 2g5m s ILE 22 Ca 0.23 -0.67 -0.22 0.00 -0.51 0.00 0.00 60.65 59.48 2g5m s ILE 22 Cb -0.09 -1.13 0.08 0.00 0.15 0.00 0.00 42.46 41.48 2g5m s ILE 22 CO 0.13 0.38 0.99 -0.83 -2.11 0.00 0.00 174.94 173.50 2g5m s GLY 23 N -0.07 1.49 -0.28 1.50 0.00 -1.26 -1.79 107.32 106.90 2g5m s GLY 23 Ca -0.01 -2.03 -0.10 0.00 0.00 0.00 0.00 44.72 42.58 2g5m s GLY 23 CO 0.01 2.04 0.14 1.06 0.00 0.00 0.00 173.10 176.35 2g5m s MET 24 N 3.76 3.70 0.00 2.90 -1.94 -0.55 -4.99 119.30 122.19 2g5m s MET 24 Ca 0.24 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 2g5m s MET 24 Cb -0.15 -3.53 0.00 0.00 2.01 0.00 0.00 34.83 33.16 2g5m s MET 24 CO 0.06 -0.24 0.00 0.41 -0.01 0.00 0.00 175.02 175.24 2g5m n GLY 25 N 5.00 1.06 3.46 -0.03 0.00 -1.26 -0.23 105.19 113.19 2g5m n GLY 25 Ca -0.15 -1.75 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.41 -1.62 0.00 4.61 0.00 -1.26 -5.01 121.76 117.07 2g5m s ALA 26 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2g5m s ALA 26 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.51 2g5m s ALA 26 CO 0.00 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.63 2g5m n GLY 27 N 0.35 -0.68 3.48 0.00 0.00 -1.26 -4.81 105.19 102.27 2g5m n GLY 27 Ca -0.18 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.00 3.02 0.00 4.61 0.00 -1.26 -4.90 121.76 122.23 2g5m s ALA 28 Ca 0.00 -1.84 -0.05 0.00 0.00 0.00 0.00 51.96 50.08 2g5m s ALA 28 Cb 0.00 -4.02 -0.20 0.00 0.00 0.00 0.00 23.12 18.90 2g5m s ALA 28 CO 0.00 -2.98 2.87 -0.40 0.00 0.00 0.00 175.76 175.25 2g5m n ASP 29 N 8.09 3.99 -0.71 0.00 5.75 -1.26 -1.72 116.55 130.70 2g5m n ASP 29 Ca 0.03 -2.24 0.05 0.00 -0.01 0.00 0.00 54.79 52.62 2g5m n ASP 29 Cb 0.47 -1.08 0.11 0.00 -1.03 0.00 0.00 41.12 39.59 2g5m n ASP 29 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 2g5m n MET 30 N 2.61 0.86 0.00 0.11 0.00 -1.26 -4.88 117.12 114.56 2g5m n MET 30 Ca 0.32 -2.46 0.00 0.00 0.00 0.00 0.00 57.70 55.57 2g5m n MET 30 Cb 0.70 -1.00 0.00 0.00 0.00 0.00 0.00 33.22 32.92 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 -0.59 1.31 1.01 3.17 0.00 -1.25 -4.96 105.19 103.87 2g5m n GLY 31 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.03 -3.87 0.99 4.77 -1.10 -4.98 117.00 112.78 2g5m n LEU 32 Ca 0.00 -1.69 -0.42 0.00 -0.03 0.00 0.00 56.01 53.87 2g5m n LEU 32 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2g5m n LEU 32 CO 0.00 0.91 2.57 -1.84 -1.33 0.00 0.00 177.39 177.70 2g5m n GLU 33 N 0.16 2.90 -1.81 3.23 0.00 -0.70 -4.18 120.64 120.24 2g5m n GLU 33 Ca -0.08 -2.71 -0.20 0.00 0.00 0.00 0.00 57.16 54.17 2g5m n GLU 33 Cb 0.82 -3.32 -0.07 0.00 0.00 0.00 0.00 31.44 28.86 2g5m n GLU 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2g5m s LYS 34 N 3.38 1.97 0.23 3.44 -2.85 -1.26 -3.82 119.74 120.82 2g5m s LYS 34 Ca 0.48 -0.21 0.07 0.00 -1.00 0.00 0.00 55.97 55.32 2g5m s LYS 34 Cb 0.12 -4.99 -0.04 0.00 -2.06 0.00 0.00 37.83 30.87 2g5m s LYS 34 CO -0.06 -4.24 0.12 -0.51 0.10 0.00 0.00 175.35 170.76 2g5m s LEU 35 N 13.11 3.62 -0.51 2.77 1.43 -1.26 -4.70 118.68 133.14 2g5m s LEU 35 Ca 0.79 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 53.48 2g5m s LEU 35 Cb -0.07 -2.18 0.13 0.00 0.03 0.00 0.00 46.19 44.10 2g5m s LEU 35 CO 0.08 0.00 0.37 -0.83 0.23 0.00 0.00 176.35 176.20 2g5m s GLY 36 N -3.57 2.13 -1.01 -3.19 0.00 0.68 -4.61 107.32 97.74 2g5m s GLY 36 Ca 0.32 -2.67 -0.19 0.00 0.00 0.00 0.00 44.72 42.18 2g5m s GLY 36 CO 0.23 1.11 1.27 -0.42 0.00 0.00 0.00 173.10 175.29 2g5m s ILE 37 N 1.10 4.61 0.63 0.90 -1.09 -1.26 -1.48 121.20 124.61 2g5m s ILE 37 Ca 0.08 -1.63 -0.06 0.00 -2.23 0.00 0.00 60.65 56.80 2g5m s ILE 37 Cb -0.24 -4.87 0.03 0.00 -1.58 0.00 0.00 42.46 35.79 2g5m s ILE 37 CO -0.02 -1.63 0.95 -0.36 -1.23 0.00 0.00 174.94 172.65 2g5m s PHE 38 N 2.98 3.14 0.17 3.97 0.08 -0.74 -2.17 117.98 125.42 2g5m s PHE 38 Ca 0.38 0.59 -0.30 0.00 0.12 0.00 0.00 56.93 57.72 2g5m s PHE 38 Cb -0.03 -2.91 -0.07 0.00 -0.57 0.00 0.00 43.02 39.44 2g5m s PHE 38 CO -0.07 -1.04 1.02 0.08 -0.10 0.00 0.00 175.22 175.11 2g5m s VAL 39 N -3.09 4.10 -0.21 -0.44 1.01 0.11 0.17 120.40 122.05 2g5m s VAL 39 Ca 0.56 1.86 -0.05 0.00 0.00 0.00 0.00 61.98 64.36 2g5m s VAL 39 Cb -0.11 -4.19 -0.20 0.00 0.00 0.00 0.00 36.38 31.89 2g5m s VAL 39 CO 0.45 0.34 -0.02 1.17 0.00 0.00 0.00 175.10 177.05 2g5m n LYS 40 N 2.27 0.67 -3.86 2.72 4.81 0.21 -4.57 118.16 120.41 2g5m n LYS 40 Ca 0.01 0.23 -0.08 0.00 -0.87 0.00 0.00 58.31 57.61 2g5m n LYS 40 Cb 0.47 -1.60 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 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 -2.52 0.00 -0.34 3.15 -1.32 -1.09 -4.96 115.64 108.57 2g5m s THR 41 Ca -0.31 -1.04 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 2g5m s THR 41 Cb 0.09 -1.95 0.11 0.00 -1.51 0.00 0.00 72.50 69.23 2g5m s THR 41 CO 0.64 -0.02 0.13 -0.69 -2.21 0.00 0.00 174.62 172.47 2g5m s VAL 42 N -3.93 1.12 -0.05 5.08 1.01 -1.26 -1.30 120.40 121.06 2g5m s VAL 42 Ca 0.14 -1.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.04 2g5m s VAL 42 Cb -0.04 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2g5m s VAL 42 CO 0.05 -0.73 1.27 -0.89 0.00 0.00 0.00 175.10 174.81 2g5m s THR 43 N 1.23 4.09 0.37 3.92 2.01 0.46 -4.78 115.64 122.94 2g5m s THR 43 Ca 0.12 1.42 0.33 0.00 0.31 0.00 0.00 61.69 63.87 2g5m s THR 43 Cb -0.19 -3.91 0.35 0.00 0.01 0.00 0.00 72.50 68.76 2g5m s THR 43 CO -0.17 -0.02 2.10 1.05 -0.69 0.00 0.00 174.62 176.90 2g5m h GLU 44 N 7.67 0.00 0.00 4.92 9.09 -1.95 -1.79 114.58 132.52 2g5m h GLU 44 Ca -0.35 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.04 2g5m h GLU 44 Cb 1.16 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.26 2g5m h GLU 44 CO 0.90 0.07 -0.13 0.78 0.05 0.00 0.00 179.01 180.68 2g5m h GLY 45 N 1.04 0.00 -1.97 1.06 0.00 -1.92 -3.44 103.07 97.84 2g5m h GLY 45 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 2g5m h GLY 45 CO 0.01 0.00 -0.28 -0.32 0.00 0.00 0.00 176.54 175.95 2g5m s GLY 46 N -4.21 2.05 0.24 4.60 0.00 -0.67 -4.98 107.32 104.35 2g5m s GLY 46 Ca -0.02 -1.79 -0.06 0.00 0.00 0.00 0.00 44.72 42.85 2g5m s GLY 46 CO 0.58 -1.69 1.88 0.00 0.00 0.00 0.00 173.10 173.87 2g5m h ALA 47 N 0.72 1.17 -0.83 3.20 0.00 -1.81 -3.18 119.26 118.54 2g5m h ALA 47 Ca -0.38 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.57 2g5m h ALA 47 Cb 1.28 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2g5m h ALA 47 CO 0.51 0.41 0.54 0.00 0.00 0.00 0.00 179.25 180.71 2g5m h ALA 48 N 1.37 1.62 -0.03 0.00 0.00 -1.75 0.16 119.26 120.63 2g5m h ALA 48 Ca 0.36 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.04 2g5m h ALA 48 Cb 0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2g5m h ALA 48 CO -0.12 0.25 -0.86 1.25 0.00 0.00 0.00 179.25 179.77 2g5m h HIS 49 N 0.89 0.58 -0.11 0.00 6.17 -1.67 0.15 115.15 121.16 2g5m h HIS 49 Ca 0.36 -0.29 -0.03 0.00 0.71 0.00 0.00 60.37 61.12 2g5m h HIS 49 Cb 0.27 -0.07 -0.00 0.00 2.52 0.00 0.00 27.41 30.12 2g5m h HIS 49 CO -0.00 1.09 -0.05 0.00 0.71 0.00 0.00 177.93 179.67 2g5m h ARG 50 N 0.25 0.23 0.86 5.26 3.08 -1.32 -3.25 114.38 119.48 2g5m h ARG 50 Ca -0.06 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 2g5m h ARG 50 Cb 1.47 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.52 2g5m h ARG 50 CO 0.15 0.58 -0.41 0.22 -1.07 0.00 0.00 179.97 179.43 2g5m h ASP 51 N -0.13 -0.98 0.00 7.04 3.58 -0.74 -3.48 116.42 121.71 2g5m h ASP 51 Ca 0.02 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2g5m h ASP 51 Cb 0.51 0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2g5m h ASP 51 CO 0.02 -0.69 0.00 0.61 -2.88 0.00 0.00 179.24 176.29 2g5m n GLY 52 N -1.52 0.76 0.10 -0.78 0.00 0.52 -4.94 105.19 99.33 2g5m n GLY 52 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 3.21 0.17 -6.03 1.61 3.08 -1.90 -3.42 114.38 111.11 2g5m h ARG 53 Ca 0.00 -0.29 -0.59 0.00 0.07 0.00 0.00 59.98 59.18 2g5m h ARG 53 Cb 0.00 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.07 2g5m h ARG 53 CO 0.00 1.03 0.62 0.42 -1.07 0.00 0.00 179.97 180.97 2g5m s ILE 54 N -2.64 4.66 0.48 2.04 1.01 -1.26 -4.94 121.20 120.54 2g5m s ILE 54 Ca -0.05 1.48 -0.01 0.00 0.00 0.00 0.00 60.65 62.07 2g5m s ILE 54 Cb 0.08 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 2g5m s ILE 54 CO 0.85 -0.35 0.72 -1.10 0.00 0.00 0.00 174.94 175.06 2g5m s GLN 55 N 3.27 3.09 0.00 2.79 -0.21 -1.26 -4.85 119.66 122.50 2g5m s GLN 55 Ca 0.39 -0.33 0.24 0.00 0.02 0.00 0.00 55.36 55.68 2g5m s GLN 55 Cb -0.13 -2.49 1.37 0.00 1.00 0.00 0.00 33.01 32.76 2g5m s GLN 55 CO 0.13 -0.33 1.82 1.55 -2.12 0.00 0.00 175.29 176.34 2g5m n VAL 56 N -2.18 0.09 0.30 1.09 3.14 -1.26 -2.35 118.33 117.16 2g5m n VAL 56 Ca 0.02 0.02 0.04 0.00 -2.96 0.00 0.00 64.34 61.46 2g5m n VAL 56 Cb 0.57 -0.64 0.03 0.00 -1.06 0.00 0.00 33.84 32.75 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 -1.11 1.60 -4.54 6.55 2.85 -1.26 -4.51 115.26 114.84 2g5m n ASN 57 Ca 0.16 -1.30 -0.28 0.00 -0.11 0.00 0.00 54.58 53.04 2g5m n ASN 57 Cb 0.12 -0.00 0.13 0.00 1.24 0.00 0.00 39.78 41.27 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 -0.60 3.94 -0.04 1.20 1.01 -0.99 -4.81 116.67 116.38 2g5m s ASP 58 Ca 0.08 0.37 -0.01 0.00 0.71 0.00 0.00 52.55 53.70 2g5m s ASP 58 Cb 0.06 -0.68 0.03 0.00 1.01 0.00 0.00 42.92 43.34 2g5m s ASP 58 CO 0.09 -2.21 0.08 -0.22 0.21 0.00 0.00 175.17 173.12 2g5m s LEU 59 N -5.61 1.01 -0.85 1.23 2.96 -1.26 -0.71 118.68 115.45 2g5m s LEU 59 Ca 0.67 0.15 -0.24 0.00 -0.22 0.00 0.00 54.13 54.49 2g5m s LEU 59 Cb -0.07 0.14 0.05 0.00 0.50 0.00 0.00 46.19 46.80 2g5m s LEU 59 CO 0.49 -0.13 1.29 -0.76 -1.32 0.00 0.00 176.35 175.93 2g5m s LEU 60 N 1.00 3.58 -0.08 -0.68 1.43 -0.92 -4.02 118.68 118.98 2g5m s LEU 60 Ca -0.08 -1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 51.91 2g5m s LEU 60 Cb -0.11 -2.53 -0.29 0.00 0.03 0.00 0.00 46.19 43.29 2g5m s LEU 60 CO -0.04 -1.61 0.56 0.58 0.23 0.00 0.00 176.35 176.07 2g5m h VAL 61 N 6.28 0.86 -2.37 -1.59 2.07 -1.73 -3.43 116.25 116.34 2g5m h VAL 61 Ca -0.07 -2.44 -0.08 0.00 0.82 0.00 0.00 66.70 64.92 2g5m h VAL 61 Cb 1.04 2.68 -0.20 0.00 -1.52 0.00 0.00 31.29 33.29 2g5m h VAL 61 CO 1.31 0.84 0.01 -0.70 0.02 0.00 0.00 177.57 179.05 2g5m s GLU 62 N -2.55 0.89 0.00 1.57 2.12 -0.96 -0.64 118.70 119.13 2g5m s GLU 62 Ca -0.19 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.33 2g5m s GLU 62 Cb 0.06 0.41 0.00 0.00 0.26 0.00 0.00 34.13 34.86 2g5m s GLU 62 CO 0.81 -0.25 0.00 1.55 -0.54 0.00 0.00 175.26 176.83 2g5m n VAL 63 N 1.26 0.00 -0.06 3.70 3.14 -0.23 0.02 118.33 126.16 2g5m n VAL 63 Ca -0.19 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.10 2g5m n VAL 63 Cb 0.57 -0.88 -0.02 0.00 -1.06 0.00 0.00 33.84 32.44 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 0.00 -0.96 0.00 6.55 3.58 -1.42 -3.39 116.42 120.78 2g5m h ASP 64 Ca 0.00 0.16 -0.20 0.00 0.42 0.00 0.00 57.03 57.41 2g5m h ASP 64 Cb 0.00 0.44 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 2g5m h ASP 64 CO 0.00 -0.32 -1.56 0.61 -2.88 0.00 0.00 179.24 175.10 2g5m n GLY 65 N -1.40 -0.34 3.66 -0.78 0.00 -1.26 -4.96 105.19 100.11 2g5m n GLY 65 Ca -0.01 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.46 4.02 -0.22 2.61 2.01 -1.26 -4.99 115.64 115.35 2g5m s THR 66 Ca -0.24 1.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.78 2g5m s THR 66 Cb 0.08 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 2g5m s THR 66 CO 0.32 -0.09 0.77 -0.44 -0.69 0.00 0.00 174.62 174.49 2g5m s SER 67 N 2.34 6.80 -0.70 3.53 0.01 -1.26 -1.07 113.70 123.35 2g5m s SER 67 Ca 0.61 0.99 -0.25 0.00 1.31 0.00 0.00 55.95 58.60 2g5m s SER 67 Cb -0.26 -2.41 0.05 0.00 0.21 0.00 0.00 66.02 63.60 2g5m s SER 67 CO 0.21 -0.44 1.15 -0.76 0.41 0.00 0.00 173.24 173.80 2g5m s LEU 68 N 2.54 3.66 -0.03 2.44 1.43 0.19 -4.79 118.68 124.12 2g5m s LEU 68 Ca 0.33 -0.65 0.10 0.00 -1.03 0.00 0.00 54.13 52.88 2g5m s LEU 68 Cb -0.16 -2.52 0.33 0.00 0.03 0.00 0.00 46.19 43.88 2g5m s LEU 68 CO 0.09 -1.67 1.22 1.33 0.23 0.00 0.00 176.35 177.55 2g5m n VAL 69 N 6.20 0.69 0.00 -1.59 0.24 -1.26 -4.70 118.33 117.90 2g5m n VAL 69 Ca 0.00 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 2g5m n VAL 69 Cb 0.48 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 2g5m n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2g5m n GLY 70 N 0.87 0.92 3.74 7.63 0.00 -1.26 -4.27 105.19 112.82 2g5m n GLY 70 Ca 0.12 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 1.70 0.66 1.61 -7.23 -1.25 -4.28 120.40 111.62 2g5m s VAL 71 Ca 0.00 -1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 2g5m s VAL 71 Cb 0.00 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 2g5m s VAL 71 CO 0.00 0.00 1.05 0.42 -0.31 0.00 0.00 175.10 176.26 2g5m s THR 72 N -2.76 4.28 0.38 5.32 -4.23 -1.26 -4.69 115.64 112.68 2g5m s THR 72 Ca 0.25 0.75 0.06 0.00 -1.18 0.00 0.00 61.69 61.58 2g5m s THR 72 Cb 0.04 -3.58 0.28 0.00 1.34 0.00 0.00 72.50 70.58 2g5m s THR 72 CO 0.14 -0.96 2.00 -0.61 -0.54 0.00 0.00 174.62 174.65 2g5m h GLN 73 N -0.54 0.65 -0.29 3.99 4.15 -1.97 -0.64 115.11 120.47 2g5m h GLN 73 Ca -0.44 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 58.77 2g5m h GLN 73 Cb 1.20 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.74 2g5m h GLN 73 CO 0.59 0.43 -0.52 0.77 -1.93 0.00 0.00 178.83 178.17 2g5m h SER 74 N 0.67 0.91 -0.09 -0.69 0.02 -1.99 -1.52 113.55 110.87 2g5m h SER 74 Ca 0.24 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2g5m h SER 74 Cb 0.12 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 2g5m h SER 74 CO -0.07 1.26 0.04 0.15 -1.14 0.00 0.00 176.83 177.07 2g5m h PHE 75 N 0.64 0.14 -0.52 3.45 3.04 -1.65 -0.42 116.94 121.62 2g5m h PHE 75 Ca 0.02 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.00 2g5m h PHE 75 Cb 1.11 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.54 2g5m h PHE 75 CO 0.07 0.21 0.29 0.00 -2.02 0.00 0.00 178.31 176.85 2g5m h ALA 76 N 0.91 0.67 -0.81 2.41 0.00 -1.10 -0.21 119.26 121.12 2g5m h ALA 76 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2g5m h ALA 76 Cb 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2g5m h ALA 76 CO -0.00 -0.04 0.41 0.00 0.00 0.00 0.00 179.25 179.62 2g5m h ALA 77 N 1.26 1.19 0.00 0.00 0.00 -1.03 -2.43 119.26 118.25 2g5m h ALA 77 Ca 0.22 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2g5m h ALA 77 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2g5m h ALA 77 CO -0.13 0.63 -0.44 0.77 0.00 0.00 0.00 179.25 180.07 2g5m h SER 78 N 1.15 0.00 0.83 0.00 0.02 -0.33 -2.60 113.55 112.61 2g5m h SER 78 Ca 0.28 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.05 2g5m h SER 78 Cb 0.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2g5m h SER 78 CO -0.04 0.44 -0.88 1.62 -1.14 0.00 0.00 176.83 176.84 2g5m h VAL 79 N 0.00 1.61 -0.31 2.27 3.04 -0.58 0.62 116.25 122.90 2g5m h VAL 79 Ca -0.00 -2.94 -0.10 0.00 -1.01 0.00 0.00 66.70 62.65 2g5m h VAL 79 Cb 0.93 2.60 -0.01 0.00 -2.01 0.00 0.00 31.29 32.79 2g5m h VAL 79 CO 0.06 0.84 -0.23 -0.07 -1.01 0.00 0.00 177.57 177.15 2g5m h LEU 80 N 0.01 0.61 -0.10 3.16 3.38 -1.32 -0.77 115.31 120.28 2g5m h LEU 80 Ca -0.02 -0.21 -0.22 0.00 0.09 0.00 0.00 57.88 57.52 2g5m h LEU 80 Cb 1.54 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 2g5m h LEU 80 CO 0.12 0.84 -1.01 0.03 0.09 0.00 0.00 178.44 178.51 2g5m h ARG 81 N 0.54 0.17 -0.15 1.13 3.08 -1.14 -3.29 114.38 114.71 2g5m h ARG 81 Ca 0.08 -0.23 -0.18 0.00 0.07 0.00 0.00 59.98 59.71 2g5m h ARG 81 Cb 0.69 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 2g5m h ARG 81 CO 0.05 1.04 -0.64 -0.97 -1.07 0.00 0.00 179.97 178.38 2g5m h ASN 82 N 0.07 0.65 -4.30 7.04 -1.24 -0.67 -3.46 115.58 113.68 2g5m h ASN 82 Ca -0.06 -0.39 -0.52 0.00 0.71 0.00 0.00 56.30 56.05 2g5m h ASN 82 Cb 1.70 -0.19 0.14 0.00 0.73 0.00 0.00 38.32 40.70 2g5m h ASN 82 CO 0.15 1.13 0.30 0.42 -1.29 0.00 0.00 177.43 178.14 2g5m s THR 83 N -3.84 3.06 0.00 -3.57 -4.23 -0.31 -5.04 115.64 101.69 2g5m s THR 83 Ca -0.08 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 2g5m s THR 83 Cb 0.10 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2g5m s THR 83 CO 0.85 -0.44 0.00 0.29 -0.54 0.00 0.00 174.62 174.78 2g5m n LYS 84 N -3.63 -0.42 0.20 3.99 4.76 -1.26 -4.91 118.16 116.88 2g5m n LYS 84 Ca 0.10 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.68 2g5m n LYS 84 Cb 0.53 0.00 0.56 0.00 -1.84 0.00 0.00 35.03 34.28 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 -0.41 0.00 -5.43 0.72 0.00 -1.96 -3.41 103.07 92.58 2g5m h GLY 85 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2g5m h GLY 85 CO 0.00 0.00 -0.23 -1.60 0.00 0.00 0.00 176.54 174.71 2g5m s ARG 86 N -3.46 0.50 0.03 4.80 3.52 -1.26 -0.69 118.95 122.40 2g5m s ARG 86 Ca 0.03 1.25 0.04 0.00 -0.13 0.00 0.00 55.73 56.92 2g5m s ARG 86 Cb 0.09 0.63 -0.02 0.00 -1.56 0.00 0.00 34.95 34.09 2g5m s ARG 86 CO 0.48 -0.29 -0.12 0.14 -0.81 0.00 0.00 175.30 174.70 2g5m s VAL 87 N 2.80 0.90 -0.19 7.11 -7.23 -1.25 -5.01 120.40 117.52 2g5m s VAL 87 Ca -0.01 -0.90 -0.12 0.00 -1.81 0.00 0.00 61.98 59.14 2g5m s VAL 87 Cb -0.13 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 2g5m s VAL 87 CO -0.17 -0.05 0.22 -0.13 -0.31 0.00 0.00 175.10 174.65 2g5m s ARG 88 N -1.07 4.20 0.21 4.82 0.52 -1.26 -3.02 118.95 123.34 2g5m s ARG 88 Ca -0.01 -0.07 0.06 0.00 -0.52 0.00 0.00 55.73 55.19 2g5m s ARG 88 Cb -0.07 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 2g5m s ARG 88 CO 0.01 0.21 0.18 -0.06 0.02 0.00 0.00 175.30 175.66 2g5m s PHE 89 N 0.59 3.15 -0.26 -0.53 0.08 0.13 -1.04 117.98 120.10 2g5m s PHE 89 Ca 0.12 -0.05 -0.05 0.00 0.12 0.00 0.00 56.93 57.06 2g5m s PHE 89 Cb -0.12 -1.47 -0.00 0.00 -0.57 0.00 0.00 43.02 40.86 2g5m s PHE 89 CO 0.02 0.52 0.02 -1.64 -0.10 0.00 0.00 175.22 174.04 2g5m s MET 90 N -3.47 3.26 -0.23 0.44 -1.94 0.10 -0.06 119.30 117.40 2g5m s MET 90 Ca 0.32 -0.72 -0.07 0.00 -1.71 0.00 0.00 55.69 53.51 2g5m s MET 90 Cb -0.09 -3.20 -0.03 0.00 2.01 0.00 0.00 34.83 33.52 2g5m s MET 90 CO 0.24 -0.31 0.06 0.42 -0.01 0.00 0.00 175.02 175.42 2g5m s ILE 91 N 1.49 4.36 -0.47 2.53 1.09 0.40 -2.03 121.20 128.57 2g5m s ILE 91 Ca 0.04 -0.16 -0.13 0.00 -1.10 0.00 0.00 60.65 59.29 2g5m s ILE 91 Cb -0.16 -3.02 0.09 0.00 -1.06 0.00 0.00 42.46 38.31 2g5m s ILE 91 CO 0.00 0.37 0.37 -0.83 -0.10 0.00 0.00 174.94 174.75 2g5m s GLY 92 N 1.32 2.03 -0.06 6.18 0.00 -1.25 -0.89 107.32 114.65 2g5m s GLY 92 Ca 0.05 -2.23 -0.03 0.00 0.00 0.00 0.00 44.72 42.51 2g5m s GLY 92 CO 0.03 1.06 0.11 -1.60 0.00 0.00 0.00 173.10 172.70 2g5m s ARG 93 N 1.55 -0.01 -1.07 2.90 6.06 -0.70 -4.76 118.95 122.92 2g5m s ARG 93 Ca 0.04 0.45 -0.20 0.00 -2.50 0.00 0.00 55.73 53.52 2g5m s ARG 93 Cb -0.25 -0.36 0.09 0.00 0.06 0.00 0.00 34.95 34.49 2g5m s ARG 93 CO 0.04 -0.30 1.41 -2.00 -2.50 0.00 0.00 175.30 171.96 2g5m s GLU 94 N 2.08 3.74 0.01 5.12 2.12 -1.26 -2.33 118.70 128.17 2g5m s GLU 94 Ca 0.02 -1.66 -0.22 0.00 0.36 0.00 0.00 54.97 53.47 2g5m s GLU 94 Cb -0.12 -5.23 -0.12 0.00 0.26 0.00 0.00 34.13 28.92 2g5m s GLU 94 CO -0.04 -2.04 1.04 -0.09 -0.54 0.00 0.00 175.26 173.59 2g5m h ARG 95 N 8.75 -0.78 -6.69 4.30 2.43 -1.94 -3.45 114.38 117.01 2g5m h ARG 95 Ca 0.25 0.05 -0.51 0.00 -0.81 0.00 0.00 59.98 58.96 2g5m h ARG 95 Cb 0.97 0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.71 2g5m h ARG 95 CO 1.32 -0.52 0.49 -1.25 -1.51 0.00 0.00 179.97 178.51 2g5m s PRO 96 N -4.30 4.58 0.00 0.20 0.04 -1.26 -4.90 135.00 129.36 2g5m s PRO 96 Ca -0.12 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2g5m s PRO 96 Cb 0.01 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2g5m s PRO 96 CO 0.35 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.87 2g5m n GLY 97 N 1.91 0.90 3.17 0.56 0.00 -1.26 -4.98 105.19 105.48 2g5m n GLY 97 Ca 0.02 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 3.48 0.03 1.61 0.28 -1.26 -4.56 120.64 120.22 2g5m n GLU 98 Ca 0.00 -4.50 0.00 0.00 -0.16 0.00 0.00 57.16 52.50 2g5m n GLU 98 Cb 0.00 -2.49 0.00 0.00 1.43 0.00 0.00 31.44 30.38 2g5m n GLU 98 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2g5m n GLN 99 N 2.20 0.00 -2.74 3.44 -0.06 -1.26 -4.98 117.38 113.98 2g5m n GLN 99 Ca 0.24 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 55.04 2g5m n GLN 99 Cb 0.37 -0.08 0.03 0.00 -4.06 0.00 0.00 30.24 26.50 2g5m n GLN 99 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 2g5m s SER 100 N -4.84 5.38 0.00 1.69 0.01 -1.26 -4.41 113.70 110.27 2g5m s SER 100 Ca 0.00 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.18 2g5m s SER 100 Cb 0.00 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.36 2g5m s SER 100 CO 0.00 -1.04 0.00 1.21 0.41 0.00 0.00 173.24 173.82 2g5m n GLU 101 N -2.23 -0.85 -1.89 12.44 0.00 -1.26 -4.90 120.64 121.95 2g5m n GLU 101 Ca 0.08 0.21 -0.43 0.00 0.00 0.00 0.00 57.16 57.02 2g5m n GLU 101 Cb 0.59 -3.91 -0.03 0.00 0.00 0.00 0.00 31.44 28.10 2g5m n GLU 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2g5m s VAL 102 N -1.64 3.37 -0.02 6.31 -7.23 -1.26 -4.77 120.40 115.16 2g5m s VAL 102 Ca 0.00 0.40 0.01 0.00 -1.81 0.00 0.00 61.98 60.58 2g5m s VAL 102 Cb 0.00 -3.40 -0.02 0.00 0.56 0.00 0.00 36.38 33.53 2g5m s VAL 102 CO 0.00 -0.19 -0.00 0.00 -0.31 0.00 0.00 175.10 174.60 2g5m n ALA 103 N 9.42 1.96 -2.49 1.32 0.00 -1.26 -4.84 120.51 124.61 2g5m n ALA 103 Ca 0.22 -0.10 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 2g5m n ALA 103 Cb 0.45 0.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.04 3.34 -0.18 0.00 2.00 -1.26 -4.93 119.66 116.59 2g5m s GLN 104 Ca -0.01 -0.72 0.01 0.00 -2.00 0.00 0.00 55.36 52.63 2g5m s GLN 104 Cb 0.01 -4.96 0.01 0.00 0.80 0.00 0.00 33.01 28.87 2g5m s GLN 104 CO 0.06 -2.32 -0.19 -0.51 -0.50 0.00 0.00 175.29 171.83 2g5m s LEU 105 N 5.83 2.22 -0.17 3.68 1.43 -1.26 -4.96 118.68 125.45 2g5m s LEU 105 Ca 0.46 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 2g5m s LEU 105 Cb -0.03 -1.50 -0.09 0.00 0.03 0.00 0.00 46.19 44.59 2g5m s LEU 105 CO -0.01 0.01 -0.07 -0.38 0.23 0.00 0.00 176.35 176.14 2g5m n ILE 106 N 4.53 1.46 -3.16 -0.59 -0.00 -1.26 -4.71 119.36 115.63 2g5m n ILE 106 Ca -0.20 0.11 -0.45 0.00 -0.00 0.00 0.00 62.75 62.20 2g5m n ILE 106 Cb 0.50 -2.26 -0.05 0.00 -0.00 0.00 0.00 39.64 37.84 2g5m n ILE 106 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 2g5m s GLN 107 N -2.33 3.03 -0.11 0.38 -1.52 -1.26 -4.92 119.66 112.92 2g5m s GLN 107 Ca -0.21 -1.42 0.00 0.00 -1.95 0.00 0.00 55.36 51.78 2g5m s GLN 107 Cb 0.04 -4.28 0.11 0.00 -0.22 0.00 0.00 33.01 28.67 2g5m s GLN 107 CO 0.36 -1.49 1.58 1.04 -0.25 0.00 0.00 175.29 176.53 2g5m n GLN 108 N 6.07 1.30 0.27 2.91 6.02 -1.26 -4.45 117.38 128.23 2g5m n GLN 108 Ca -0.11 -0.63 0.12 0.00 -0.01 0.00 0.00 57.00 56.37 2g5m n GLN 108 Cb 0.42 -1.25 0.74 0.00 1.02 0.00 0.00 30.24 31.17 2g5m n GLN 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2g5m h THR 109 N 0.58 0.61 -0.00 5.09 1.03 -2.00 -1.38 112.91 116.85 2g5m h THR 109 Ca 0.13 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 66.09 2g5m h THR 109 Cb 1.18 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 69.53 2g5m h THR 109 CO 0.27 0.10 -0.05 0.00 -0.01 0.00 0.00 175.52 175.84 2g5m n LEU 110 N -3.75 0.09 -4.71 0.00 -0.00 -1.26 -4.66 117.00 102.71 2g5m n LEU 110 Ca -0.02 0.32 -0.35 0.00 -0.00 0.00 0.00 56.01 55.96 2g5m n LEU 110 Cb 0.21 -0.36 -0.08 0.00 -0.00 0.00 0.00 43.42 43.19 2g5m n LEU 110 CO 0.30 0.02 -0.18 -1.61 -0.00 0.00 0.00 177.39 175.92 2g5m s GLU 111 N -2.76 4.16 0.34 1.47 2.02 -0.52 -5.07 118.70 118.34 2g5m s GLU 111 Ca 0.22 -0.24 -0.20 0.00 0.02 0.00 0.00 54.97 54.77 2g5m s GLU 111 Cb 0.20 -3.43 -0.10 0.00 0.10 0.00 0.00 34.13 30.90 2g5m s GLU 111 CO 0.51 0.26 0.84 -0.65 0.02 0.00 0.00 175.26 176.23 2g5m s GLN 112 N 0.48 4.21 0.00 1.61 -0.21 -1.26 -5.01 119.66 119.48 2g5m s GLN 112 Ca 0.08 0.96 0.29 0.00 0.02 0.00 0.00 55.36 56.70 2g5m s GLN 112 Cb -0.12 -2.47 1.21 0.00 1.00 0.00 0.00 33.01 32.63 2g5m s GLN 112 CO -0.01 0.15 1.83 0.39 -2.12 0.00 0.00 175.29 175.53