#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 0.48 -3.67 1.61 -0.00 -2.05 -3.41 115.15 108.11 2g5m h HIS 2 Ca 0.00 -0.35 -0.70 0.00 -0.00 0.00 0.00 60.37 59.33 2g5m h HIS 2 Cb 0.00 -0.02 -0.29 0.00 -0.00 0.00 0.00 27.41 27.10 2g5m h HIS 2 CO 0.00 1.43 -0.61 -1.64 -0.00 0.00 0.00 177.93 177.12 2g5m s MET 3 N -2.45 2.57 -0.60 5.26 1.00 -1.26 -4.23 119.30 119.60 2g5m s MET 3 Ca -0.17 -1.23 -0.28 0.00 0.00 0.00 0.00 55.69 54.01 2g5m s MET 3 Cb 0.03 -3.45 0.02 0.00 0.00 0.00 0.00 34.83 31.42 2g5m s MET 3 CO 0.79 -0.69 1.37 -1.21 0.00 0.00 0.00 175.02 175.28 2g5m s GLU 4 N 1.38 3.29 -0.96 2.03 2.02 -1.16 -4.62 118.70 120.68 2g5m s GLU 4 Ca -0.01 0.28 -0.24 0.00 0.02 0.00 0.00 54.97 55.02 2g5m s GLU 4 Cb -0.20 -4.13 0.03 0.00 0.10 0.00 0.00 34.13 29.93 2g5m s GLU 4 CO 0.02 -1.97 1.52 -0.51 0.02 0.00 0.00 175.26 174.34 2g5m s LEU 5 N 5.93 3.40 -0.01 1.80 2.01 -1.25 -0.74 118.68 129.83 2g5m s LEU 5 Ca 0.48 -1.16 0.04 0.00 0.01 0.00 0.00 54.13 53.49 2g5m s LEU 5 Cb -0.10 -2.57 -0.03 0.00 0.01 0.00 0.00 46.19 43.51 2g5m s LEU 5 CO 0.23 -1.77 -0.12 0.72 1.01 0.00 0.00 176.35 176.42 2g5m s PHE 6 N 6.01 2.75 0.03 0.29 -0.12 -0.17 -4.87 117.98 121.89 2g5m s PHE 6 Ca 0.49 -0.13 -0.30 0.00 -0.05 0.00 0.00 56.93 56.94 2g5m s PHE 6 Cb -0.02 -1.58 -0.05 0.00 -0.63 0.00 0.00 43.02 40.74 2g5m s PHE 6 CO -0.05 0.28 1.18 -1.25 -0.05 0.00 0.00 175.22 175.34 2g5m s PRO 7 N -1.19 4.42 -0.19 1.99 0.04 -1.26 -0.60 135.00 138.22 2g5m s PRO 7 Ca 0.15 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.88 2g5m s PRO 7 Cb -0.11 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 2g5m s PRO 7 CO 0.05 -0.28 -0.08 0.08 0.04 0.00 0.00 177.00 176.80 2g5m s VAL 8 N 1.34 3.14 -0.15 -0.36 1.01 0.89 -4.90 120.40 121.37 2g5m s VAL 8 Ca 0.57 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 2g5m s VAL 8 Cb -0.28 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2g5m s VAL 8 CO 0.27 0.47 0.00 -0.70 0.00 0.00 0.00 175.10 175.14 2g5m s GLU 9 N 1.14 3.62 0.18 2.72 2.12 -1.26 -0.07 118.70 127.15 2g5m s GLU 9 Ca 0.01 -0.44 0.07 0.00 0.36 0.00 0.00 54.97 54.98 2g5m s GLU 9 Cb -0.14 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2g5m s GLU 9 CO -0.02 0.35 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.74 2g5m s LEU 10 N 0.09 2.51 -0.01 2.70 0.20 -0.11 -4.82 118.68 119.23 2g5m s LEU 10 Ca 0.02 -0.96 0.02 0.00 0.69 0.00 0.00 54.13 53.90 2g5m s LEU 10 Cb -0.13 -0.64 -0.00 0.00 -0.43 0.00 0.00 46.19 44.99 2g5m s LEU 10 CO 0.02 -0.16 -0.07 -0.70 -0.29 0.00 0.00 176.35 175.15 2g5m s GLU 11 N -3.35 0.62 0.63 1.98 2.12 -1.26 -1.09 118.70 118.36 2g5m s GLU 11 Ca 0.18 -0.24 -0.17 0.00 0.36 0.00 0.00 54.97 55.11 2g5m s GLU 11 Cb -0.02 -0.61 -0.02 0.00 0.26 0.00 0.00 34.13 33.75 2g5m s GLU 11 CO 0.05 0.12 1.14 0.15 -0.54 0.00 0.00 175.26 176.18 2g5m s LYS 12 N -0.01 2.91 0.70 4.30 -0.14 -0.42 -4.80 119.74 122.27 2g5m s LYS 12 Ca 0.01 1.54 0.00 0.00 -1.36 0.00 0.00 55.97 56.16 2g5m s LYS 12 Cb -0.05 -1.95 0.12 0.00 -1.68 0.00 0.00 37.83 34.27 2g5m s LYS 12 CO -0.00 -1.19 0.96 0.34 -0.76 0.00 0.00 175.35 174.70 2g5m s ASP 13 N -2.19 4.48 0.36 2.83 -1.08 -0.75 -4.95 116.67 115.36 2g5m s ASP 13 Ca 0.70 -0.39 0.15 0.00 -0.52 0.00 0.00 52.55 52.49 2g5m s ASP 13 Cb -0.23 -0.04 0.67 0.00 -1.46 0.00 0.00 42.92 41.86 2g5m s ASP 13 CO 0.37 -1.77 1.77 0.77 0.52 0.00 0.00 175.17 176.83 2g5m h SER 14 N -0.42 0.00 0.00 -0.34 4.64 -1.97 -2.97 113.55 112.48 2g5m h SER 14 Ca -0.36 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2g5m h SER 14 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2g5m h SER 14 CO 0.41 0.42 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.69 2g5m h GLU 15 N 0.00 0.00 0.00 4.77 4.57 -1.94 -3.50 114.58 118.47 2g5m h GLU 15 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2g5m h GLU 15 Cb 0.81 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2g5m h GLU 15 CO 0.05 0.70 0.00 0.41 -1.18 0.00 0.00 179.01 178.99 2g5m n GLY 16 N 1.66 0.06 3.52 1.92 0.00 -1.12 -5.11 105.19 106.11 2g5m n GLY 16 Ca -0.07 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 2.08 -0.47 0.99 1.43 -1.26 -1.80 118.68 119.65 2g5m s LEU 17 Ca 0.00 -1.58 0.06 0.00 -1.03 0.00 0.00 54.13 51.59 2g5m s LEU 17 Cb 0.00 -0.26 0.25 0.00 0.03 0.00 0.00 46.19 46.21 2g5m s LEU 17 CO 0.00 -0.82 0.84 0.61 0.23 0.00 0.00 176.35 177.21 2g5m n GLY 18 N -0.88 0.59 3.11 -3.19 0.00 -1.26 -4.44 105.19 99.13 2g5m n GLY 18 Ca -0.06 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 2g5m n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2g5m n ILE 19 N 1.49 0.00 -3.61 -0.61 -5.35 -1.26 -0.03 119.36 109.99 2g5m n ILE 19 Ca 0.11 -1.92 -0.13 0.00 -0.27 0.00 0.00 62.75 60.54 2g5m n ILE 19 Cb 0.62 1.08 -0.06 0.00 -1.74 0.00 0.00 39.64 39.54 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 -3.10 -0.36 0.14 7.28 0.01 -0.13 -4.87 113.70 112.66 2g5m s SER 20 Ca 0.31 0.05 0.07 0.00 1.31 0.00 0.00 55.95 57.69 2g5m s SER 20 Cb 0.00 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 2g5m s SER 20 CO 0.22 -0.72 -0.16 0.27 0.41 0.00 0.00 173.24 173.27 2g5m s ILE 21 N -2.64 1.53 -0.05 1.44 -4.36 -1.26 0.50 121.20 116.35 2g5m s ILE 21 Ca -0.04 -1.77 0.03 0.00 -0.26 0.00 0.00 60.65 58.60 2g5m s ILE 21 Cb -0.00 -1.64 0.01 0.00 1.25 0.00 0.00 42.46 42.08 2g5m s ILE 21 CO -0.03 -0.36 -0.12 -0.51 0.24 0.00 0.00 174.94 174.16 2g5m s ILE 22 N -2.04 1.08 -0.46 8.37 1.10 0.96 -4.59 121.20 125.62 2g5m s ILE 22 Ca 0.11 -0.48 -0.12 0.00 -0.51 0.00 0.00 60.65 59.65 2g5m s ILE 22 Cb -0.06 -0.98 0.09 0.00 0.15 0.00 0.00 42.46 41.67 2g5m s ILE 22 CO 0.04 0.34 0.35 -0.83 -2.11 0.00 0.00 174.94 172.73 2g5m s GLY 23 N 0.47 2.02 -0.01 1.50 0.00 -1.26 -1.29 107.32 108.75 2g5m s GLY 23 Ca -0.10 -2.28 0.05 0.00 0.00 0.00 0.00 44.72 42.39 2g5m s GLY 23 CO 0.03 1.06 -0.16 1.06 0.00 0.00 0.00 173.10 175.08 2g5m s MET 24 N 1.50 1.30 0.00 2.90 -1.94 -0.84 -4.95 119.30 117.27 2g5m s MET 24 Ca 0.04 -0.59 0.00 0.00 -1.71 0.00 0.00 55.69 53.42 2g5m s MET 24 Cb -0.25 -1.26 0.00 0.00 2.01 0.00 0.00 34.83 35.33 2g5m s MET 24 CO 0.03 0.35 0.00 0.41 -0.01 0.00 0.00 175.02 175.79 2g5m n GLY 25 N 2.63 -1.85 0.49 -0.03 0.00 -1.26 -1.98 105.19 103.20 2g5m n GLY 25 Ca -0.15 -1.13 0.06 0.00 0.00 0.00 0.00 46.02 44.81 2g5m n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g5m n ALA 26 N 0.00 2.74 0.00 4.61 0.00 -1.26 -5.02 120.51 121.58 2g5m n ALA 26 Ca 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.82 2g5m n ALA 26 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2g5m n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g5m n GLY 27 N -0.89 2.15 3.67 0.00 0.00 -1.26 -4.79 105.19 104.07 2g5m n GLY 27 Ca 0.14 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -2.51 0.26 4.61 0.00 -1.26 -2.32 120.51 119.29 2g5m n ALA 28 Ca 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.33 2g5m n ALA 28 Cb 0.00 -4.06 0.72 0.00 0.00 0.00 0.00 19.45 16.12 2g5m n ALA 28 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2g5m h ASP 29 N -1.85 0.00 0.41 0.00 2.03 -1.90 -1.72 116.42 113.38 2g5m h ASP 29 Ca -0.66 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.60 2g5m h ASP 29 Cb 1.36 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.85 2g5m h ASP 29 CO 0.49 0.10 -0.20 0.00 -1.03 0.00 0.00 179.24 178.60 2g5m h MET 30 N 0.00 0.00 -1.98 4.15 -0.00 -1.98 -2.35 114.93 112.77 2g5m h MET 30 Ca -0.00 0.00 -0.72 0.00 -0.00 0.00 0.00 59.70 58.98 2g5m h MET 30 Cb 0.23 0.00 -0.32 0.00 -0.00 0.00 0.00 31.60 31.51 2g5m h MET 30 CO 0.01 0.20 0.46 0.41 -0.00 0.00 0.00 176.91 177.99 2g5m n GLY 31 N -0.58 5.78 2.25 -3.00 0.00 -0.66 -4.78 105.19 104.19 2g5m n GLY 31 Ca -0.02 -2.60 -0.13 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.38 -1.57 -3.71 0.99 4.77 -1.07 -3.11 117.00 112.91 2g5m n LEU 32 Ca 0.46 -0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 56.16 2g5m n LEU 32 Cb 0.35 -1.99 0.02 0.00 -2.33 0.00 0.00 43.42 39.47 2g5m n LEU 32 CO 0.45 -0.15 -0.09 -1.84 -1.33 0.00 0.00 177.39 174.43 2g5m n GLU 33 N -2.24 -1.14 -2.55 3.23 0.28 -0.91 -4.63 120.64 112.69 2g5m n GLU 33 Ca -0.15 0.63 -0.43 0.00 -0.16 0.00 0.00 57.16 57.05 2g5m n GLU 33 Cb 0.61 -3.39 -0.02 0.00 1.43 0.00 0.00 31.44 30.07 2g5m n GLU 33 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2g5m s LYS 34 N -5.49 3.71 -0.12 3.44 -2.85 -0.98 -4.02 119.74 113.42 2g5m s LYS 34 Ca 0.25 0.66 0.01 0.00 -1.00 0.00 0.00 55.97 55.88 2g5m s LYS 34 Cb -0.11 -3.93 -0.01 0.00 -2.06 0.00 0.00 37.83 31.72 2g5m s LYS 34 CO 0.88 -1.40 -0.15 -0.51 0.10 0.00 0.00 175.35 174.27 2g5m s LEU 35 N 4.63 2.61 -0.90 2.77 1.43 -1.19 -4.49 118.68 123.54 2g5m s LEU 35 Ca 0.51 -0.36 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 2g5m s LEU 35 Cb -0.09 -1.58 0.11 0.00 0.03 0.00 0.00 46.19 44.66 2g5m s LEU 35 CO 0.31 0.17 1.16 -0.83 0.23 0.00 0.00 176.35 177.39 2g5m s GLY 36 N 0.33 1.72 -1.09 -3.19 0.00 -0.84 -4.21 107.32 100.05 2g5m s GLY 36 Ca -0.12 -2.53 -0.17 0.00 0.00 0.00 0.00 44.72 41.90 2g5m s GLY 36 CO 0.06 2.14 1.36 -0.42 0.00 0.00 0.00 173.10 176.24 2g5m s ILE 37 N 3.31 4.69 0.62 0.90 -1.09 -1.26 -1.99 121.20 126.38 2g5m s ILE 37 Ca 0.33 -1.95 -0.07 0.00 -2.23 0.00 0.00 60.65 56.73 2g5m s ILE 37 Cb -0.06 -4.91 0.01 0.00 -1.58 0.00 0.00 42.46 35.92 2g5m s ILE 37 CO -0.06 -1.66 0.95 -0.36 -1.23 0.00 0.00 174.94 172.58 2g5m s PHE 38 N 2.68 3.25 0.11 3.97 0.08 -0.41 -2.66 117.98 125.01 2g5m s PHE 38 Ca 0.41 0.73 -0.30 0.00 0.12 0.00 0.00 56.93 57.89 2g5m s PHE 38 Cb -0.02 -2.84 -0.06 0.00 -0.57 0.00 0.00 43.02 39.52 2g5m s PHE 38 CO -0.04 -0.94 1.11 0.08 -0.10 0.00 0.00 175.22 175.33 2g5m s VAL 39 N -3.09 4.07 -0.20 -0.44 1.01 0.12 -0.03 120.40 121.83 2g5m s VAL 39 Ca 0.55 1.63 -0.14 0.00 0.00 0.00 0.00 61.98 64.03 2g5m s VAL 39 Cb -0.11 -4.05 -0.20 0.00 0.00 0.00 0.00 36.38 32.03 2g5m s VAL 39 CO 0.47 0.21 0.11 1.17 0.00 0.00 0.00 175.10 177.06 2g5m n LYS 40 N 3.09 0.63 -3.93 2.72 4.81 0.18 -4.54 118.16 121.12 2g5m n LYS 40 Ca 0.05 0.40 -0.10 0.00 -0.87 0.00 0.00 58.31 57.79 2g5m n LYS 40 Cb 0.47 -1.67 -0.02 0.00 0.02 0.00 0.00 35.03 33.83 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 -2.46 0.00 -0.31 3.15 -1.32 -1.02 -4.93 115.64 108.75 2g5m s THR 41 Ca -0.29 -1.24 0.06 0.00 -1.21 0.00 0.00 61.69 59.00 2g5m s THR 41 Cb 0.08 -2.47 0.19 0.00 -1.51 0.00 0.00 72.50 68.79 2g5m s THR 41 CO 0.62 0.00 0.57 0.54 -2.21 0.00 0.00 174.62 174.14 2g5m s VAL 42 N -3.26 -0.94 0.16 5.08 0.11 -1.26 -0.96 120.40 119.33 2g5m s VAL 42 Ca 0.20 -0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 59.01 2g5m s VAL 42 Cb -0.03 -0.83 -0.07 0.00 -1.53 0.00 0.00 36.38 33.91 2g5m s VAL 42 CO 0.12 -0.05 0.64 -0.89 -3.33 0.00 0.00 175.10 171.59 2g5m s THR 43 N 2.61 4.68 0.65 5.04 2.01 0.96 -4.84 115.64 126.75 2g5m s THR 43 Ca 0.11 1.16 0.37 0.00 0.31 0.00 0.00 61.69 63.65 2g5m s THR 43 Cb -0.09 -3.85 0.37 0.00 0.01 0.00 0.00 72.50 68.94 2g5m s THR 43 CO -0.23 0.32 2.14 1.05 -0.69 0.00 0.00 174.62 177.22 2g5m h GLU 44 N 3.78 0.00 0.00 4.92 4.11 -1.95 -1.58 114.58 123.87 2g5m h GLU 44 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2g5m h GLU 44 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2g5m h GLU 44 CO 0.65 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.14 2g5m n GLY 45 N -1.15 -1.28 3.68 1.06 0.00 -1.26 -4.54 105.19 101.69 2g5m n GLY 45 Ca -0.02 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.29 2.35 0.25 -0.02 0.00 -0.59 -4.80 107.32 101.21 2g5m s GLY 46 Ca 0.08 -2.15 -0.04 0.00 0.00 0.00 0.00 44.72 42.60 2g5m s GLY 46 CO 0.40 -1.98 1.85 0.00 0.00 0.00 0.00 173.10 173.38 2g5m h ALA 47 N 1.62 1.26 -0.60 3.20 0.00 -1.79 -2.73 119.26 120.22 2g5m h ALA 47 Ca -0.43 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2g5m h ALA 47 Cb 1.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2g5m h ALA 47 CO 0.73 0.30 0.40 0.00 0.00 0.00 0.00 179.25 180.68 2g5m h ALA 48 N 1.43 1.58 0.21 0.00 0.00 -1.85 0.58 119.26 121.22 2g5m h ALA 48 Ca 0.40 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.94 2g5m h ALA 48 Cb 0.21 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 17.79 2g5m h ALA 48 CO -0.19 0.38 -1.50 1.25 0.00 0.00 0.00 179.25 179.19 2g5m h HIS 49 N 0.81 0.81 -0.16 0.00 6.17 -1.70 -1.03 115.15 120.05 2g5m h HIS 49 Ca 0.22 -0.59 -0.06 0.00 0.71 0.00 0.00 60.37 60.65 2g5m h HIS 49 Cb -0.07 -0.03 -0.00 0.00 2.52 0.00 0.00 27.41 29.82 2g5m h HIS 49 CO -0.00 1.53 -0.13 0.00 0.71 0.00 0.00 177.93 180.04 2g5m h ARG 50 N 0.12 0.37 -0.19 5.26 3.08 -1.08 -3.00 114.38 118.94 2g5m h ARG 50 Ca -0.25 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.46 2g5m h ARG 50 Cb 2.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.16 2g5m h ARG 50 CO 0.24 0.72 -0.52 0.22 -1.07 0.00 0.00 179.97 179.56 2g5m h ASP 51 N 0.02 0.60 -1.81 7.04 3.58 0.01 -3.48 116.42 122.39 2g5m h ASP 51 Ca 0.03 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.17 2g5m h ASP 51 Cb 0.64 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2g5m h ASP 51 CO 0.03 1.01 -0.01 0.61 -2.88 0.00 0.00 179.24 178.01 2g5m n GLY 52 N 0.20 0.55 0.86 -0.78 0.00 -0.44 -5.01 105.19 100.57 2g5m n GLY 52 Ca -0.03 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.92 0.09 -2.55 1.61 5.12 -0.91 -4.98 116.66 114.13 2g5m n ARG 53 Ca -0.00 0.04 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 2g5m n ARG 53 Cb 0.50 -0.63 -0.03 0.00 -1.16 0.00 0.00 32.46 31.14 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 -2.08 4.47 0.23 0.55 1.01 -1.25 -4.99 121.20 119.13 2g5m s ILE 54 Ca -0.05 1.77 0.04 0.00 0.00 0.00 0.00 60.65 62.41 2g5m s ILE 54 Cb 0.01 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 2g5m s ILE 54 CO 0.08 0.01 0.35 -1.10 0.00 0.00 0.00 174.94 174.28 2g5m s GLN 55 N 2.03 3.44 0.00 2.79 -0.21 -1.26 -4.66 119.66 121.79 2g5m s GLN 55 Ca 0.53 -0.71 0.15 0.00 0.02 0.00 0.00 55.36 55.35 2g5m s GLN 55 Cb -0.22 -2.89 0.80 0.00 1.00 0.00 0.00 33.01 31.69 2g5m s GLN 55 CO 0.21 0.43 1.42 1.55 -2.12 0.00 0.00 175.29 176.78 2g5m n VAL 56 N -1.26 0.48 -0.14 1.09 3.14 -1.26 -2.05 118.33 118.33 2g5m n VAL 56 Ca -0.08 0.12 0.04 0.00 -2.96 0.00 0.00 64.34 61.46 2g5m n VAL 56 Cb 0.56 -0.87 0.11 0.00 -1.06 0.00 0.00 33.84 32.59 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 -1.24 2.70 -4.55 6.55 0.23 -1.26 -4.40 115.26 113.28 2g5m n ASN 57 Ca 0.08 -2.01 -0.27 0.00 -0.53 0.00 0.00 54.58 51.85 2g5m n ASN 57 Cb 0.11 -0.18 0.13 0.00 -2.08 0.00 0.00 39.78 37.76 2g5m n ASN 57 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2g5m s ASP 58 N -1.02 4.02 -0.06 0.53 1.01 -0.87 -4.76 116.67 115.53 2g5m s ASP 58 Ca 0.17 0.16 -0.03 0.00 0.71 0.00 0.00 52.55 53.57 2g5m s ASP 58 Cb 0.09 -0.49 0.04 0.00 1.01 0.00 0.00 42.92 43.57 2g5m s ASP 58 CO 0.12 -2.12 0.13 -0.22 0.21 0.00 0.00 175.17 173.28 2g5m s LEU 59 N -5.48 0.84 -0.72 1.23 2.96 -1.26 -0.70 118.68 115.55 2g5m s LEU 59 Ca 0.67 0.26 -0.22 0.00 -0.22 0.00 0.00 54.13 54.62 2g5m s LEU 59 Cb -0.07 0.31 0.08 0.00 0.50 0.00 0.00 46.19 47.01 2g5m s LEU 59 CO 0.48 -0.14 1.03 -0.76 -1.32 0.00 0.00 176.35 175.64 2g5m s LEU 60 N 1.06 4.38 -0.02 -0.68 1.43 -1.09 -3.54 118.68 120.22 2g5m s LEU 60 Ca -0.08 -1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 51.72 2g5m s LEU 60 Cb -0.11 -2.43 -0.33 0.00 0.03 0.00 0.00 46.19 43.35 2g5m s LEU 60 CO -0.05 -1.41 0.85 0.58 0.23 0.00 0.00 176.35 176.54 2g5m h VAL 61 N 5.99 1.22 -3.08 -1.59 2.07 -1.58 -3.43 116.25 115.86 2g5m h VAL 61 Ca -0.20 -2.59 -0.04 0.00 0.82 0.00 0.00 66.70 64.69 2g5m h VAL 61 Cb 1.06 2.98 -0.13 0.00 -1.52 0.00 0.00 31.29 33.68 2g5m h VAL 61 CO 1.19 0.79 0.09 -1.83 0.02 0.00 0.00 177.57 177.82 2g5m s GLU 62 N -2.54 1.16 0.23 1.57 -1.05 -1.22 -0.28 118.70 116.57 2g5m s GLU 62 Ca -0.13 -0.50 0.04 0.00 -0.15 0.00 0.00 54.97 54.23 2g5m s GLU 62 Cb 0.04 0.53 0.04 0.00 -0.44 0.00 0.00 34.13 34.29 2g5m s GLU 62 CO 0.88 -0.48 0.30 1.55 0.95 0.00 0.00 175.26 178.46 2g5m n VAL 63 N -0.17 0.00 0.27 1.83 3.14 0.41 -0.51 118.33 123.30 2g5m n VAL 63 Ca -0.17 -0.79 -0.17 0.00 -2.96 0.00 0.00 64.34 60.25 2g5m n VAL 63 Cb 0.64 -0.73 -0.09 0.00 -1.06 0.00 0.00 33.84 32.60 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 0.07 -1.24 -0.29 6.55 3.58 -1.46 -3.32 116.42 120.32 2g5m h ASP 64 Ca -0.11 0.10 -0.20 0.00 0.42 0.00 0.00 57.03 57.24 2g5m h ASP 64 Cb 0.50 0.41 -0.15 0.00 1.72 0.00 0.00 39.33 41.81 2g5m h ASP 64 CO 0.17 -0.61 -0.56 0.61 -2.88 0.00 0.00 179.24 175.97 2g5m n GLY 65 N -1.53 5.56 3.64 -0.78 0.00 -1.26 -4.96 105.19 105.85 2g5m n GLY 65 Ca -0.11 -1.77 -0.06 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.71 -0.14 -0.05 2.61 2.01 -1.25 -5.16 115.64 109.95 2g5m s THR 66 Ca 0.43 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.28 2g5m s THR 66 Cb 0.39 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 2g5m s THR 66 CO -0.03 0.00 0.39 -0.44 -0.69 0.00 0.00 174.62 173.85 2g5m s SER 67 N 1.80 6.71 0.00 3.53 0.01 -1.26 -0.44 113.70 124.04 2g5m s SER 67 Ca -0.09 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2g5m s SER 67 Cb -0.06 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2g5m s SER 67 CO -0.20 0.24 0.00 0.18 0.41 0.00 0.00 173.24 173.88 2g5m n LEU 68 N 2.41 0.74 0.00 2.44 4.77 -0.56 -4.92 117.00 121.88 2g5m n LEU 68 Ca -0.13 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2g5m n LEU 68 Cb 0.52 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2g5m n LEU 68 CO 0.38 -0.13 0.00 0.52 -1.33 0.00 0.00 177.39 176.83 2g5m n VAL 69 N -1.47 0.00 0.00 4.08 0.31 0.62 -4.26 118.33 117.61 2g5m n VAL 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2g5m n VAL 69 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2g5m n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2g5m n GLY 70 N -0.09 -1.01 3.33 2.92 0.00 -1.26 -3.15 105.19 105.93 2g5m n GLY 70 Ca 0.00 0.77 -0.29 0.00 0.00 0.00 0.00 46.02 46.50 2g5m n GLY 70 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2g5m n VAL 71 N 0.00 0.00 -1.87 1.61 0.24 -1.26 -4.63 118.33 112.42 2g5m n VAL 71 Ca 0.00 -2.15 -0.31 0.00 -2.04 0.00 0.00 64.34 59.84 2g5m n VAL 71 Cb 0.00 0.36 0.03 0.00 -1.47 0.00 0.00 33.84 32.75 2g5m n VAL 71 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2g5m s THR 72 N -2.64 4.21 0.38 3.34 -4.23 -1.26 -4.79 115.64 110.65 2g5m s THR 72 Ca 0.04 0.72 0.05 0.00 -1.18 0.00 0.00 61.69 61.32 2g5m s THR 72 Cb -0.00 -3.71 0.25 0.00 1.34 0.00 0.00 72.50 70.38 2g5m s THR 72 CO 0.03 -0.94 2.02 -0.61 -0.54 0.00 0.00 174.62 174.58 2g5m h GLN 73 N -0.46 0.66 -0.07 3.99 4.15 -1.95 -1.56 115.11 119.87 2g5m h GLN 73 Ca -0.44 -0.05 -0.21 0.00 0.77 0.00 0.00 58.65 58.72 2g5m h GLN 73 Cb 1.22 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.76 2g5m h GLN 73 CO 0.63 0.46 -0.81 0.77 -1.93 0.00 0.00 178.83 177.94 2g5m h SER 74 N 0.68 0.61 -0.30 -0.69 0.02 -1.98 -2.54 113.55 109.35 2g5m h SER 74 Ca 0.18 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 2g5m h SER 74 Cb -0.04 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2g5m h SER 74 CO -0.04 1.20 0.12 0.15 -1.14 0.00 0.00 176.83 177.12 2g5m h PHE 75 N 0.32 0.46 -0.73 3.45 3.04 -1.71 -0.34 116.94 121.44 2g5m h PHE 75 Ca -0.05 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.82 2g5m h PHE 75 Cb 1.42 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 39.75 2g5m h PHE 75 CO 0.06 0.45 0.29 0.00 -2.02 0.00 0.00 178.31 177.09 2g5m h ALA 76 N 0.96 1.14 -0.54 2.41 0.00 -1.31 -1.02 119.26 120.90 2g5m h ALA 76 Ca 0.10 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2g5m h ALA 76 Cb 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2g5m h ALA 76 CO -0.01 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.86 2g5m h ALA 77 N 1.26 0.98 -0.67 0.00 0.00 -1.07 -2.76 119.26 116.99 2g5m h ALA 77 Ca 0.25 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2g5m h ALA 77 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2g5m h ALA 77 CO -0.02 0.62 0.16 1.03 0.00 0.00 0.00 179.25 181.04 2g5m h SER 78 N 0.85 1.01 0.62 0.00 0.87 -0.53 -3.03 113.55 113.35 2g5m h SER 78 Ca 0.16 -0.21 -0.09 0.00 -1.23 0.00 0.00 61.79 60.42 2g5m h SER 78 Cb 0.50 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2g5m h SER 78 CO 0.02 0.98 -0.41 1.62 -0.53 0.00 0.00 176.83 178.51 2g5m h VAL 79 N 1.02 1.09 0.00 2.23 3.04 -0.91 -0.34 116.25 122.37 2g5m h VAL 79 Ca 0.21 -1.51 0.00 0.00 -1.01 0.00 0.00 66.70 64.39 2g5m h VAL 79 Cb 0.37 1.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 2g5m h VAL 79 CO 0.00 0.40 0.00 0.18 -1.01 0.00 0.00 177.57 177.14 2g5m n LEU 80 N -3.75 0.00 -0.00 3.16 4.77 -1.14 -2.52 117.00 117.51 2g5m n LEU 80 Ca -0.01 0.33 0.02 0.00 -0.03 0.00 0.00 56.01 56.32 2g5m n LEU 80 Cb 0.48 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2g5m n LEU 80 CO 0.38 -0.12 -0.41 0.54 -1.33 0.00 0.00 177.39 176.45 2g5m n ARG 81 N -1.33 1.57 0.00 3.23 1.74 -0.23 -4.59 116.66 117.05 2g5m n ARG 81 Ca 0.08 -0.02 0.13 0.00 -0.77 0.00 0.00 57.85 57.26 2g5m n ARG 81 Cb 0.16 -0.97 0.38 0.00 -1.02 0.00 0.00 32.46 31.01 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 -1.48 0.52 -3.21 0.55 4.13 -0.64 -4.91 115.26 110.22 2g5m n ASN 82 Ca -0.00 -0.30 -0.14 0.00 1.68 0.00 0.00 54.58 55.82 2g5m n ASN 82 Cb 0.08 0.07 0.08 0.00 -1.54 0.00 0.00 39.78 38.47 2g5m n ASN 82 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2g5m n THR 83 N -1.27 0.00 -0.99 3.41 -2.24 -1.08 -5.08 114.28 107.04 2g5m n THR 83 Ca 0.08 -0.70 -0.05 0.00 -2.27 0.00 0.00 64.05 61.11 2g5m n THR 83 Cb 0.33 -1.38 0.03 0.00 -2.10 0.00 0.00 70.33 67.21 2g5m n THR 83 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2g5m n LYS 84 N -2.19 -0.50 0.05 -0.78 4.76 -1.26 -5.00 118.16 113.24 2g5m n LYS 84 Ca 0.09 -0.30 -0.18 0.00 -2.87 0.00 0.00 58.31 55.05 2g5m n LYS 84 Cb 0.31 -0.22 -0.08 0.00 -1.84 0.00 0.00 35.03 33.20 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 -0.42 0.65 -6.69 0.72 0.00 -1.99 -3.42 103.07 91.91 2g5m h GLY 85 Ca -0.07 -1.15 -0.56 0.00 0.00 0.00 0.00 47.33 45.55 2g5m h GLY 85 CO 0.05 1.02 -0.81 -1.60 0.00 0.00 0.00 176.54 175.19 2g5m s ARG 86 N -3.29 1.75 0.07 4.80 3.52 -1.26 -1.31 118.95 123.24 2g5m s ARG 86 Ca -0.08 -0.44 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 2g5m s ARG 86 Cb 0.08 -1.88 -0.03 0.00 -1.56 0.00 0.00 34.95 31.55 2g5m s ARG 86 CO 0.90 -0.31 -0.08 0.14 -0.81 0.00 0.00 175.30 175.14 2g5m s VAL 87 N 1.61 0.66 -0.18 7.11 -7.23 -0.25 -4.95 120.40 117.17 2g5m s VAL 87 Ca 0.04 -1.51 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 2g5m s VAL 87 Cb -0.13 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 2g5m s VAL 87 CO -0.09 -0.61 -0.03 -0.13 -0.31 0.00 0.00 175.10 173.94 2g5m s ARG 88 N -2.67 3.58 0.17 4.82 0.52 -1.26 -0.93 118.95 123.18 2g5m s ARG 88 Ca 0.01 -0.55 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 2g5m s ARG 88 Cb -0.03 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 2g5m s ARG 88 CO -0.02 0.08 0.14 -0.06 0.02 0.00 0.00 175.30 175.46 2g5m s PHE 89 N 0.80 3.15 -0.42 -0.53 0.08 0.91 -1.08 117.98 120.89 2g5m s PHE 89 Ca -0.01 -0.02 -0.16 0.00 0.12 0.00 0.00 56.93 56.87 2g5m s PHE 89 Cb -0.14 -1.51 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2g5m s PHE 89 CO 0.02 0.52 0.36 -1.64 -0.10 0.00 0.00 175.22 174.38 2g5m s MET 90 N -3.12 3.02 -0.28 0.44 -1.94 0.34 -0.07 119.30 117.68 2g5m s MET 90 Ca 0.31 -0.94 -0.13 0.00 -1.71 0.00 0.00 55.69 53.22 2g5m s MET 90 Cb -0.10 -3.99 -0.04 0.00 2.01 0.00 0.00 34.83 32.71 2g5m s MET 90 CO 0.23 -0.81 0.27 0.42 -0.01 0.00 0.00 175.02 175.13 2g5m s ILE 91 N 1.86 5.25 -0.41 2.53 1.09 0.23 -1.44 121.20 130.31 2g5m s ILE 91 Ca 0.08 0.34 -0.20 0.00 -1.10 0.00 0.00 60.65 59.76 2g5m s ILE 91 Cb -0.19 -3.61 0.01 0.00 -1.06 0.00 0.00 42.46 37.62 2g5m s ILE 91 CO 0.11 0.20 0.64 -0.83 -0.10 0.00 0.00 174.94 174.96 2g5m s GLY 92 N 1.71 1.73 -0.22 6.18 0.00 -1.23 -1.00 107.32 114.49 2g5m s GLY 92 Ca 0.11 -1.07 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 2g5m s GLY 92 CO 0.11 1.51 1.68 -1.60 0.00 0.00 0.00 173.10 174.79 2g5m s ARG 93 N 2.77 3.74 -1.24 2.90 6.06 0.08 -4.46 118.95 128.80 2g5m s ARG 93 Ca 0.23 1.70 -0.19 0.00 -2.50 0.00 0.00 55.73 54.97 2g5m s ARG 93 Cb -0.14 -4.07 0.06 0.00 0.06 0.00 0.00 34.95 30.86 2g5m s ARG 93 CO 0.17 -1.37 1.69 -2.00 -2.50 0.00 0.00 175.30 171.29 2g5m s GLU 94 N 4.84 3.87 0.07 5.12 2.12 -1.26 -2.97 118.70 130.49 2g5m s GLU 94 Ca 0.74 -1.80 -0.35 0.00 0.36 0.00 0.00 54.97 53.93 2g5m s GLU 94 Cb -0.26 -5.50 -0.19 0.00 0.26 0.00 0.00 34.13 28.45 2g5m s GLU 94 CO 0.30 -2.29 1.60 -0.09 -0.54 0.00 0.00 175.26 174.25 2g5m h ARG 95 N 8.08 -1.01 -7.43 4.30 2.43 -1.91 -3.45 114.38 115.39 2g5m h ARG 95 Ca 0.39 0.07 -0.48 0.00 -0.81 0.00 0.00 59.98 59.16 2g5m h ARG 95 Cb 0.90 0.23 0.12 0.00 -0.42 0.00 0.00 29.97 30.80 2g5m h ARG 95 CO 1.45 -0.67 0.32 -1.25 -1.51 0.00 0.00 179.97 178.30 2g5m s PRO 96 N -6.02 1.68 -0.05 0.20 0.04 -1.26 -4.99 135.00 124.61 2g5m s PRO 96 Ca -0.18 0.53 0.07 0.00 0.04 0.00 0.00 61.00 61.46 2g5m s PRO 96 Cb 0.03 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 32.80 2g5m s PRO 96 CO 0.61 -1.88 1.06 0.41 0.04 0.00 0.00 177.00 177.24 2g5m n GLY 97 N -2.05 2.13 0.09 0.56 0.00 -1.26 -4.69 105.19 99.96 2g5m n GLY 97 Ca 0.07 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.00 0.00 1.61 5.08 -1.99 -3.39 114.58 115.88 2g5m h GLU 98 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2g5m h GLU 98 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2g5m h GLU 98 CO 0.00 0.50 -0.56 0.37 -1.00 0.00 0.00 179.01 178.31 2g5m h GLN 99 N 0.00 0.00 0.00 2.33 5.75 -1.95 -3.51 115.11 117.74 2g5m h GLN 99 Ca -0.15 0.00 0.35 0.00 -0.15 0.00 0.00 58.65 58.69 2g5m h GLN 99 Cb 1.72 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 30.18 2g5m h GLN 99 CO 0.07 0.84 -0.46 0.43 -2.65 0.00 0.00 178.83 177.06 2g5m n SER 100 N -4.55 -8.00 -0.01 -0.69 7.64 -1.26 -4.53 113.62 102.22 2g5m n SER 100 Ca -0.18 1.37 -0.16 0.00 1.01 0.00 0.00 58.87 60.91 2g5m n SER 100 Cb 0.51 -3.89 -0.11 0.00 -1.01 0.00 0.00 64.21 59.70 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 0.29 -6.80 1.43 3.07 -1.97 -3.45 114.58 107.14 2g5m h GLU 101 Ca 0.03 -0.31 -0.49 0.00 -0.50 0.00 0.00 59.36 58.08 2g5m h GLU 101 Cb 1.17 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2g5m h GLU 101 CO 0.01 1.02 0.41 0.54 -1.40 0.00 0.00 179.01 179.58 2g5m s VAL 102 N -3.14 3.81 -0.14 3.13 0.11 -1.26 -4.81 120.40 118.10 2g5m s VAL 102 Ca -0.15 1.76 -0.13 0.00 -2.93 0.00 0.00 61.98 60.53 2g5m s VAL 102 Cb 0.02 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.74 2g5m s VAL 102 CO 0.78 0.37 -0.25 0.00 -3.33 0.00 0.00 175.10 172.67 2g5m n ALA 103 N 1.15 0.64 -3.49 1.54 0.00 -1.26 -5.00 120.51 114.09 2g5m n ALA 103 Ca -0.01 -0.65 0.01 0.00 0.00 0.00 0.00 53.44 52.79 2g5m n ALA 103 Cb 0.47 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.42 0.50 -0.30 0.00 2.00 -1.26 -5.13 119.66 113.05 2g5m s GLN 104 Ca -0.21 1.17 -0.02 0.00 -2.00 0.00 0.00 55.36 54.30 2g5m s GLN 104 Cb 0.03 0.70 0.05 0.00 0.80 0.00 0.00 33.01 34.58 2g5m s GLN 104 CO 0.31 -0.25 -0.00 -0.51 -0.50 0.00 0.00 175.29 174.34 2g5m s LEU 105 N 2.80 3.83 -0.05 3.68 1.43 -1.26 -4.93 118.68 124.18 2g5m s LEU 105 Ca -0.00 -1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 51.88 2g5m s LEU 105 Cb -0.11 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 2g5m s LEU 105 CO -0.19 -0.25 -0.02 0.40 0.23 0.00 0.00 176.35 176.53 2g5m h ILE 106 N 6.40 0.00 -3.09 -0.59 1.08 -2.07 -3.44 117.51 115.81 2g5m h ILE 106 Ca -0.23 -0.49 -0.62 0.00 -0.39 0.00 0.00 64.86 63.13 2g5m h ILE 106 Cb 1.07 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.72 2g5m h ILE 106 CO 0.54 0.00 -0.44 -1.10 -0.69 0.00 0.00 178.15 176.46 2g5m s GLN 107 N -1.33 3.99 0.00 2.37 -0.21 -1.26 -5.05 119.66 118.16 2g5m s GLN 107 Ca -0.01 -0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.26 2g5m s GLN 107 Cb 0.00 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.66 2g5m s GLN 107 CO 0.02 0.44 0.10 1.04 -2.12 0.00 0.00 175.29 174.76 2g5m n GLN 108 N 3.03 0.00 0.09 2.91 6.02 -1.26 -4.44 117.38 123.73 2g5m n GLN 108 Ca -0.16 0.10 0.13 0.00 -0.01 0.00 0.00 57.00 57.06 2g5m n GLN 108 Cb 0.53 -0.68 0.36 0.00 1.02 0.00 0.00 30.24 31.46 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 -0.81 0.52 -1.20 5.09 5.66 -1.26 -4.90 114.28 117.39 2g5m n THR 109 Ca 0.00 -0.27 -0.07 0.00 -3.05 0.00 0.00 64.05 60.66 2g5m n THR 109 Cb 0.00 -0.47 -0.03 0.00 -1.55 0.00 0.00 70.33 68.28 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 -2.20 -0.30 -2.88 1.09 4.77 -1.26 -4.88 117.00 111.34 2g5m n LEU 110 Ca 0.05 0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 55.81 2g5m n LEU 110 Cb 0.43 -1.64 0.04 0.00 -2.33 0.00 0.00 43.42 39.92 2g5m n LEU 110 CO 0.32 -0.54 1.46 1.21 -1.33 0.00 0.00 177.39 178.51 2g5m n GLU 111 N -2.05 2.79 0.00 3.23 4.07 -1.26 -4.97 120.64 122.45 2g5m n GLU 111 Ca -0.07 -3.58 0.00 0.00 -0.06 0.00 0.00 57.16 53.45 2g5m n GLU 111 Cb 0.32 -2.27 0.00 0.00 -0.06 0.00 0.00 31.44 29.43 2g5m n GLU 111 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2g5m n GLN 112 N -0.54 0.00 0.00 5.31 1.13 -1.26 -5.18 117.38 116.84 2g5m n GLN 112 Ca 0.53 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 2g5m n GLN 112 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.61 2g5m n GLN 112 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71