#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h9c n GLU 2 N 0.00 -1.92 -4.11 2.12 2.13 -1.26 -5.07 120.64 112.53 1h9c n GLU 2 Ca 0.00 1.83 -0.11 0.00 0.66 0.00 0.00 57.16 59.53 1h9c n GLU 2 Cb 0.00 -5.20 -0.11 0.00 0.27 0.00 0.00 31.44 26.40 1h9c n GLU 2 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1h9c s LYS 3 N -2.53 0.68 -0.12 5.31 1.02 -1.26 -4.95 119.74 117.89 1h9c s LYS 3 Ca 0.18 -1.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.04 1h9c s LYS 3 Cb -0.05 -0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.01 1h9c s LYS 3 CO 0.67 0.01 0.12 0.15 -0.92 0.00 0.00 175.35 175.39 1h9c s LYS 4 N -2.81 3.40 -0.34 1.68 3.01 -1.18 -4.97 119.74 118.53 1h9c s LYS 4 Ca 0.01 -0.16 -0.11 0.00 -1.01 0.00 0.00 55.97 54.70 1h9c s LYS 4 Cb -0.02 -3.15 0.00 0.00 -1.01 0.00 0.00 37.83 33.65 1h9c s LYS 4 CO -0.03 0.76 0.20 -1.01 0.51 0.00 0.00 175.35 175.79 1h9c s HIS 5 N -0.99 3.21 -0.34 3.18 3.76 -1.26 -1.31 115.29 121.54 1h9c s HIS 5 Ca 0.15 -0.55 -0.02 0.00 -0.15 0.00 0.00 55.06 54.48 1h9c s HIS 5 Cb -0.12 -2.43 0.07 0.00 1.11 0.00 0.00 32.58 31.21 1h9c s HIS 5 CO 0.04 -0.48 0.07 0.42 -0.85 0.00 0.00 174.74 173.94 1h9c s ILE 6 N 1.64 3.11 -0.17 0.60 1.01 -0.34 -1.44 121.20 125.62 1h9c s ILE 6 Ca 0.05 -1.61 -0.02 0.00 0.00 0.00 0.00 60.65 59.07 1h9c s ILE 6 Cb -0.18 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1h9c s ILE 6 CO 0.08 -0.31 -0.09 -0.31 0.00 0.00 0.00 174.94 174.31 1h9c s TYR 7 N 1.22 2.89 -0.10 3.97 2.02 -1.07 -2.28 117.35 124.00 1h9c s TYR 7 Ca -0.00 -0.78 -0.08 0.00 -0.37 0.00 0.00 57.07 55.83 1h9c s TYR 7 Cb -0.21 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.35 1h9c s TYR 7 CO -0.02 -0.36 0.19 -0.51 -1.57 0.00 0.00 175.55 173.28 1h9c s LEU 8 N 0.84 4.40 0.08 -1.29 1.02 -0.24 -1.29 118.68 122.21 1h9c s LEU 8 Ca -0.03 0.55 0.02 0.00 0.02 0.00 0.00 54.13 54.70 1h9c s LEU 8 Cb -0.15 -2.16 -0.04 0.00 0.02 0.00 0.00 46.19 43.87 1h9c s LEU 8 CO 0.01 0.39 -0.08 -0.36 0.02 0.00 0.00 176.35 176.33 1h9c s PHE 9 N -1.02 0.89 -0.05 0.29 0.08 -0.11 -1.18 117.98 116.89 1h9c s PHE 9 Ca 0.16 -0.73 -0.23 0.00 0.12 0.00 0.00 56.93 56.25 1h9c s PHE 9 Cb -0.13 -0.51 -0.26 0.00 -0.57 0.00 0.00 43.02 41.56 1h9c s PHE 9 CO 0.06 -0.09 0.98 0.77 -0.10 0.00 0.00 175.22 176.84 1h9c h SER 11 N 3.54 0.32 0.02 1.36 0.02 -1.94 -1.16 113.55 115.71 1h9c h SER 11 Ca -0.36 -0.84 -0.37 0.00 -0.84 0.00 0.00 61.79 59.38 1h9c h SER 11 Cb 1.18 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.55 1h9c h SER 11 CO 0.55 1.12 -2.36 0.00 -1.14 0.00 0.00 176.83 175.00 1h9c n ALA 12 N -2.59 1.50 -2.15 3.77 0.00 -1.26 -3.90 120.51 115.88 1h9c n ALA 12 Ca -0.11 -1.31 -0.02 0.00 0.00 0.00 0.00 53.44 52.00 1h9c n ALA 12 Cb 0.61 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1h9c n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h9c n GLY 13 N 1.75 0.37 0.23 0.00 0.00 -1.26 -4.36 105.19 101.92 1h9c n GLY 13 Ca -0.32 -0.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.88 1h9c n GLY 13 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1h9c n MET 14 N -1.18 0.19 0.18 1.61 0.00 -1.26 -4.64 117.12 112.03 1h9c n MET 14 Ca -0.02 0.05 0.04 0.00 0.00 0.00 0.00 57.70 57.77 1h9c n MET 14 Cb 0.52 -1.06 0.35 0.00 0.00 0.00 0.00 33.22 33.02 1h9c n MET 14 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1h9c h SER 15 N -0.08 0.00 0.53 3.17 0.02 -2.02 -2.78 113.55 112.38 1h9c h SER 15 Ca -0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1h9c h SER 15 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1h9c h SER 15 CO -0.06 0.40 -0.02 0.71 -1.14 0.00 0.00 176.83 176.72 1h9c h THR 16 N 0.00 0.10 -0.63 -2.27 1.35 -2.00 -3.33 112.91 106.14 1h9c h THR 16 Ca -0.00 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 1h9c h THR 16 Cb 0.81 1.30 -0.03 0.00 -1.73 0.00 0.00 68.15 68.50 1h9c h THR 16 CO 0.05 0.02 0.35 0.77 -0.25 0.00 0.00 175.52 176.46 1h9c h SER 17 N 0.00 0.76 -0.28 5.36 4.64 -1.75 -0.61 113.55 121.67 1h9c h SER 17 Ca -0.00 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.17 1h9c h SER 17 Cb 0.30 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1h9c h SER 17 CO 0.00 0.61 -0.21 0.25 -0.87 0.00 0.00 176.83 176.61 1h9c h LEU 18 N 0.87 0.68 -0.75 5.97 5.85 -1.80 -0.59 115.31 125.53 1h9c h LEU 18 Ca 0.22 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1h9c h LEU 18 Cb 0.01 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1h9c h LEU 18 CO -0.04 0.98 0.28 0.25 -0.34 0.00 0.00 178.44 179.56 1h9c h LEU 19 N 0.38 1.06 -0.31 2.25 6.46 -1.61 -1.28 115.31 122.27 1h9c h LEU 19 Ca 0.05 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1h9c h LEU 19 Cb 0.75 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1h9c h LEU 19 CO 0.06 0.96 0.16 0.58 -0.62 0.00 0.00 178.44 179.58 1h9c h VAL 20 N 1.10 1.14 -0.83 1.05 2.07 -1.07 -1.86 116.25 117.85 1h9c h VAL 20 Ca 0.25 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1h9c h VAL 20 Cb 0.25 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1h9c h VAL 20 CO -0.02 0.14 0.49 -1.28 0.02 0.00 0.00 177.57 176.93 1h9c h SER 21 N 0.38 1.00 -0.16 0.57 0.87 -0.68 -0.02 113.55 115.51 1h9c h SER 21 Ca 0.11 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1h9c h SER 21 Cb 0.08 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1h9c h SER 21 CO -0.02 0.78 -0.02 0.11 -0.53 0.00 0.00 176.83 177.15 1h9c h LYS 22 N 1.15 0.30 0.00 2.24 1.57 -0.94 -1.93 116.57 118.96 1h9c h LYS 22 Ca 0.30 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1h9c h LYS 22 Cb -0.04 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1h9c h LYS 22 CO -0.05 0.55 0.00 0.00 -0.57 0.00 0.00 179.45 179.38 1h9c h MET 23 N 0.01 0.00 -0.10 3.15 -0.00 -1.16 -0.18 114.93 116.66 1h9c h MET 23 Ca 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.63 1h9c h MET 23 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 1h9c h MET 23 CO 0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 176.91 176.57 1h9c h ARG 24 N 0.00 0.41 -0.35 -0.10 3.08 -0.90 -1.27 114.38 115.25 1h9c h ARG 24 Ca 0.00 -0.31 -0.11 0.00 0.07 0.00 0.00 59.98 59.62 1h9c h ARG 24 Cb 0.59 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1h9c h ARG 24 CO 0.00 0.94 -0.25 0.00 -1.07 0.00 0.00 179.97 179.60 1h9c h ALA 25 N 0.47 0.91 -0.02 0.04 0.00 -0.80 -0.98 119.26 118.88 1h9c h ALA 25 Ca -0.02 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 1h9c h ALA 25 Cb 0.99 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1h9c h ALA 25 CO 0.08 0.62 -0.78 1.96 0.00 0.00 0.00 179.25 181.13 1h9c h GLN 26 N 0.62 0.20 -0.26 0.00 4.20 -1.15 -1.51 115.11 117.21 1h9c h GLN 26 Ca 0.08 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 1h9c h GLN 26 Cb 0.74 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1h9c h GLN 26 CO 0.06 0.88 -0.06 0.00 -0.67 0.00 0.00 178.83 179.04 1h9c h ALA 27 N 1.06 1.43 -0.09 3.87 0.00 -0.76 -0.39 119.26 124.37 1h9c h ALA 27 Ca -0.03 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.44 1h9c h ALA 27 Cb 1.36 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1h9c h ALA 27 CO 0.12 0.40 -0.87 0.93 0.00 0.00 0.00 179.25 179.83 1h9c h GLU 28 N 0.39 0.73 -0.28 0.00 5.08 -1.08 0.15 114.58 119.57 1h9c h GLU 28 Ca 0.08 -0.66 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 1h9c h GLU 28 Cb 0.35 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1h9c h GLU 28 CO 0.02 1.26 0.06 -0.22 -1.00 0.00 0.00 179.01 179.12 1h9c h LYS 29 N 0.47 0.45 -0.73 2.33 3.64 -0.96 -2.93 116.57 118.84 1h9c h LYS 29 Ca -0.08 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 1h9c h LYS 29 Cb 1.51 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.21 1h9c h LYS 29 CO 0.17 0.55 0.13 0.66 -2.27 0.00 0.00 179.45 178.69 1h9c n TYR 30 N -4.67 1.95 -3.19 1.91 4.01 -0.18 -4.98 117.16 112.01 1h9c n TYR 30 Ca -0.03 -0.84 -0.13 0.00 -0.16 0.00 0.00 57.90 56.74 1h9c n TYR 30 Cb 0.19 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 1h9c n TYR 30 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1h9c n GLU 31 N 0.21 -0.73 -3.86 -0.72 0.28 -0.82 -4.96 120.64 110.03 1h9c n GLU 31 Ca 0.30 0.30 -0.36 0.00 -0.16 0.00 0.00 57.16 57.24 1h9c n GLU 31 Cb 1.15 -1.02 -0.13 0.00 1.43 0.00 0.00 31.44 32.87 1h9c n GLU 31 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1h9c s VAL 32 N -2.62 3.22 -0.95 3.84 1.01 0.46 -5.03 120.40 120.33 1h9c s VAL 32 Ca 0.02 -1.28 -0.24 0.00 0.00 0.00 0.00 61.98 60.48 1h9c s VAL 32 Cb -0.01 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.56 1h9c s VAL 32 CO 0.43 -0.11 1.62 -2.16 0.00 0.00 0.00 175.10 174.88 1h9c s PRO 33 N 1.30 3.19 0.01 2.72 0.04 -1.26 -4.68 135.00 136.33 1h9c s PRO 33 Ca -0.04 -0.74 -0.02 0.00 0.04 0.00 0.00 61.00 60.24 1h9c s PRO 33 Cb -0.19 -5.16 -0.01 0.00 0.04 0.00 0.00 34.50 29.18 1h9c s PRO 33 CO -0.00 -2.61 0.02 0.14 0.04 0.00 0.00 177.00 174.60 1h9c s VAL 34 N 6.84 0.07 -0.38 -0.36 -7.23 -1.26 -3.13 120.40 114.95 1h9c s VAL 34 Ca 0.54 -0.59 -0.09 0.00 -1.81 0.00 0.00 61.98 60.03 1h9c s VAL 34 Cb -0.03 -0.23 0.05 0.00 0.56 0.00 0.00 36.38 36.72 1h9c s VAL 34 CO -0.04 -0.32 0.20 -0.63 -0.31 0.00 0.00 175.10 173.99 1h9c s ILE 35 N -0.99 4.27 -0.30 -0.62 1.01 -0.43 -4.97 121.20 119.17 1h9c s ILE 35 Ca -0.11 -1.09 -0.04 0.00 0.00 0.00 0.00 60.65 59.41 1h9c s ILE 35 Cb -0.07 -3.46 0.04 0.00 0.01 0.00 0.00 42.46 38.98 1h9c s ILE 35 CO -0.00 -0.30 0.03 -0.63 0.00 0.00 0.00 174.94 174.03 1h9c s ILE 36 N 1.48 3.30 0.06 2.92 1.01 -1.26 -1.19 121.20 127.52 1h9c s ILE 36 Ca 0.01 -1.20 0.04 0.00 0.00 0.00 0.00 60.65 59.50 1h9c s ILE 36 Cb -0.20 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 1h9c s ILE 36 CO 0.04 -0.07 -0.12 -1.61 0.00 0.00 0.00 174.94 173.18 1h9c s GLU 37 N 1.33 0.73 -0.05 2.79 2.02 -0.97 -4.96 118.70 119.60 1h9c s GLU 37 Ca -0.03 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.06 1h9c s GLU 37 Cb -0.19 -0.64 -0.03 0.00 0.10 0.00 0.00 34.13 33.37 1h9c s GLU 37 CO 0.00 0.13 -0.07 0.00 0.02 0.00 0.00 175.26 175.34 1h9c s ALA 38 N -1.40 2.98 0.01 5.21 0.00 -1.26 -1.08 121.76 126.22 1h9c s ALA 38 Ca -0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 1h9c s ALA 38 Cb -0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 1h9c s ALA 38 CO 0.02 0.58 0.07 -0.06 0.00 0.00 0.00 175.76 176.37 1h9c s PHE 39 N -0.85 0.15 0.71 0.00 0.08 -0.32 -4.96 117.98 112.78 1h9c s PHE 39 Ca 0.13 -0.34 -0.14 0.00 0.12 0.00 0.00 56.93 56.71 1h9c s PHE 39 Cb -0.11 -0.12 0.03 0.00 -0.57 0.00 0.00 43.02 42.25 1h9c s PHE 39 CO 0.03 -0.27 1.12 -1.25 -0.10 0.00 0.00 175.22 174.76 1h9c s PRO 40 N -1.62 2.46 0.47 0.24 0.04 -1.26 -4.20 135.00 131.14 1h9c s PRO 40 Ca -0.14 1.42 0.32 0.00 0.04 0.00 0.00 61.00 62.64 1h9c s PRO 40 Cb -0.07 -1.91 1.70 0.00 0.04 0.00 0.00 34.50 34.26 1h9c s PRO 40 CO -0.00 -1.52 1.98 1.05 0.04 0.00 0.00 177.00 178.55 1h9c h GLU 41 N -0.39 0.00 -0.06 4.56 9.09 -1.93 -2.34 114.58 123.52 1h9c h GLU 41 Ca -0.46 0.00 0.02 0.00 0.05 0.00 0.00 59.36 58.97 1h9c h GLU 41 Cb 1.25 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1h9c h GLU 41 CO 0.52 0.00 0.05 1.79 0.05 0.00 0.00 179.01 181.41 1h9c h THR 42 N 0.00 0.81 -0.49 -1.06 1.35 -1.92 -2.09 112.91 109.51 1h9c h THR 42 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.72 1h9c h THR 42 Cb 0.05 0.97 -0.08 0.00 -1.73 0.00 0.00 68.15 67.36 1h9c h THR 42 CO 0.00 0.00 0.10 0.18 -0.25 0.00 0.00 175.52 175.55 1h9c n LEU 43 N -4.28 4.88 -0.16 3.87 4.77 -0.88 -4.62 117.00 120.58 1h9c n LEU 43 Ca -0.02 -3.30 -0.11 0.00 -0.03 0.00 0.00 56.01 52.55 1h9c n LEU 43 Cb 0.15 -0.65 -0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1h9c n LEU 43 CO 0.32 0.88 0.68 0.00 -1.33 0.00 0.00 177.39 177.94 1h9c h ALA 44 N 1.92 0.67 0.67 -1.18 0.00 -1.54 -1.32 119.26 118.49 1h9c h ALA 44 Ca 0.17 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1h9c h ALA 44 Cb 1.88 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.51 1h9c h ALA 44 CO 0.49 0.63 -0.32 0.78 0.00 0.00 0.00 179.25 180.83 1h9c h GLY 45 N 0.82 -0.95 0.77 0.00 0.00 -1.82 -2.32 103.07 99.58 1h9c h GLY 45 Ca 0.11 0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1h9c h GLY 45 CO 0.06 -0.34 -0.36 -2.09 0.00 0.00 0.00 176.54 173.80 1h9c h GLU 46 N -1.23 -0.82 0.00 4.80 4.81 -1.87 -2.23 114.58 118.04 1h9c h GLU 46 Ca -0.09 0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.01 1h9c h GLU 46 Cb 0.69 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1h9c h GLU 46 CO 0.15 -0.55 -0.90 0.87 -0.73 0.00 0.00 179.01 177.86 1h9c h LYS 47 N -0.85 0.00 0.00 1.92 6.56 -1.41 -3.14 116.57 119.64 1h9c h LYS 47 Ca -0.06 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 1h9c h LYS 47 Cb 0.72 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1h9c h LYS 47 CO 0.03 0.90 -0.04 0.78 -2.06 0.00 0.00 179.45 179.05 1h9c h GLY 48 N 2.83 0.00 2.00 3.86 0.00 -1.11 -1.36 103.07 109.28 1h9c h GLY 48 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1h9c h GLY 48 CO 0.12 0.00 -0.04 1.46 0.00 0.00 0.00 176.54 178.07 1h9c h GLN 49 N 0.00 0.00 -0.20 4.80 4.20 -1.36 -2.61 115.11 119.94 1h9c h GLN 49 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1h9c h GLN 49 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1h9c h GLN 49 CO 0.01 0.04 0.00 0.09 -0.67 0.00 0.00 178.83 178.30 1h9c n ASN 50 N -3.81 2.48 -4.84 1.46 3.02 -0.54 -5.00 115.26 108.04 1h9c n ASN 50 Ca -0.03 -1.92 -0.37 0.00 -0.03 0.00 0.00 54.58 52.24 1h9c n ASN 50 Cb 0.13 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1h9c n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h9c s ALA 51 N -0.95 3.65 -0.04 5.41 0.00 -0.99 -4.80 121.76 124.05 1h9c s ALA 51 Ca 0.14 -0.18 0.13 0.00 0.00 0.00 0.00 51.96 52.05 1h9c s ALA 51 Cb 0.08 -2.45 -0.19 0.00 0.00 0.00 0.00 23.12 20.56 1h9c s ALA 51 CO 0.10 0.48 0.87 -0.44 0.00 0.00 0.00 175.76 176.77 1h9c h ASP 52 N 4.17 0.00 -3.76 0.00 3.32 -1.56 -3.46 116.42 115.12 1h9c h ASP 52 Ca -0.50 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.37 1h9c h ASP 52 Cb 1.21 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.49 1h9c h ASP 52 CO 0.64 0.87 -0.50 0.54 -1.72 0.00 0.00 179.24 179.07 1h9c s VAL 53 N -2.72 -0.00 -0.19 -1.35 0.11 -1.08 -4.45 120.40 110.71 1h9c s VAL 53 Ca -0.03 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 58.99 1h9c s VAL 53 Cb 0.08 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 1h9c s VAL 53 CO 0.82 0.01 0.01 -0.69 -3.33 0.00 0.00 175.10 171.91 1h9c s VAL 54 N 0.20 4.13 -0.08 2.04 1.01 -0.73 -2.58 120.40 124.39 1h9c s VAL 54 Ca -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1h9c s VAL 54 Cb -0.02 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1h9c s VAL 54 CO -0.00 0.44 -0.11 -0.76 0.00 0.00 0.00 175.10 174.67 1h9c s LEU 55 N 0.82 2.92 -0.03 3.92 1.43 -0.41 -1.29 118.68 126.04 1h9c s LEU 55 Ca 0.01 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1h9c s LEU 55 Cb -0.14 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1h9c s LEU 55 CO 0.02 0.31 -0.14 -0.76 0.23 0.00 0.00 176.35 176.01 1h9c s LEU 56 N -0.49 2.78 0.39 1.79 1.02 -0.28 -0.93 118.68 122.97 1h9c s LEU 56 Ca 0.07 -0.21 -0.27 0.00 0.02 0.00 0.00 54.13 53.74 1h9c s LEU 56 Cb -0.12 -1.58 -0.10 0.00 0.02 0.00 0.00 46.19 44.41 1h9c s LEU 56 CO 0.02 0.33 1.44 -0.83 0.02 0.00 0.00 176.35 177.33 1h9c s GLY 57 N -0.89 2.94 0.62 -3.19 0.00 -0.44 -0.79 107.32 105.57 1h9c s GLY 57 Ca 0.12 1.49 0.34 0.00 0.00 0.00 0.00 44.72 46.68 1h9c s GLY 57 CO 0.02 2.15 2.28 -0.56 0.00 0.00 0.00 173.10 176.99 1h9c h PRO 58 N 2.85 0.00 0.00 2.90 0.13 -1.93 -0.96 132.00 134.99 1h9c h PRO 58 Ca -0.51 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 1h9c h PRO 58 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1h9c h PRO 58 CO 0.63 0.00 -0.31 -0.56 -0.23 0.00 0.00 178.00 177.53 1h9c h GLN 59 N 0.00 0.00 -0.65 0.86 -0.00 -1.95 -2.83 115.11 110.54 1h9c h GLN 59 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.65 58.23 1h9c h GLN 59 Cb 0.04 0.00 -0.25 0.00 -0.00 0.00 0.00 27.48 27.26 1h9c h GLN 59 CO -0.00 0.31 -0.04 0.44 -0.00 0.00 0.00 178.83 179.54 1h9c n ILE 60 N -4.17 2.83 0.20 1.86 -5.35 -0.37 -4.64 119.36 109.72 1h9c n ILE 60 Ca -0.02 -3.18 0.07 0.00 -0.27 0.00 0.00 62.75 59.34 1h9c n ILE 60 Cb 0.35 -0.75 0.40 0.00 -1.74 0.00 0.00 39.64 37.90 1h9c n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1h9c h ALA 61 N 1.56 1.09 0.00 -1.28 0.00 -1.43 -2.13 119.26 117.07 1h9c h ALA 61 Ca 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1h9c h ALA 61 Cb 1.51 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1h9c h ALA 61 CO 0.81 0.41 -0.03 0.10 0.00 0.00 0.00 179.25 180.54 1h9c h TYR 62 N 0.00 0.00 -0.00 0.00 -0.00 -1.84 -2.25 116.97 112.88 1h9c h TYR 62 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1h9c h TYR 62 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.50 1h9c h TYR 62 CO 0.00 0.03 -0.16 -1.33 -0.00 0.00 0.00 178.16 176.70 1h9c n MET 63 N -3.26 0.55 -0.08 0.10 2.81 -0.80 -4.29 117.12 112.15 1h9c n MET 63 Ca -0.02 -0.21 -0.07 0.00 -1.81 0.00 0.00 57.70 55.60 1h9c n MET 63 Cb 0.18 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1h9c n MET 63 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1h9c h LEU 64 N 0.50 -0.21 -1.81 4.03 5.85 -1.52 -0.33 115.31 121.82 1h9c h LEU 64 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1h9c h LEU 64 Cb 0.40 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1h9c h LEU 64 CO 0.00 -0.07 -0.08 1.55 -0.34 0.00 0.00 178.44 179.50 1h9c h PRO 65 N 0.03 0.02 0.19 5.25 0.13 -1.82 0.16 132.00 135.96 1h9c h PRO 65 Ca 0.14 -0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.95 1h9c h PRO 65 Cb 0.21 -0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.35 1h9c h PRO 65 CO -0.28 0.10 -1.50 1.49 -0.23 0.00 0.00 178.00 177.58 1h9c h GLU 66 N 0.02 0.40 -0.00 0.86 4.57 -1.64 -2.19 114.58 116.59 1h9c h GLU 66 Ca 0.00 -0.68 -0.15 0.00 -1.18 0.00 0.00 59.36 57.35 1h9c h GLU 66 Cb 0.16 0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1h9c h GLU 66 CO 0.01 1.30 -0.73 0.82 -1.18 0.00 0.00 179.01 179.23 1h9c h ILE 67 N 0.11 1.53 -0.54 2.32 2.04 -0.88 -1.05 117.51 121.03 1h9c h ILE 67 Ca -0.25 -2.51 -0.10 0.00 1.00 0.00 0.00 64.86 63.01 1h9c h ILE 67 Cb 2.08 2.35 -0.02 0.00 -0.74 0.00 0.00 36.82 40.50 1h9c h ILE 67 CO 0.22 0.72 -0.06 -0.61 0.00 0.00 0.00 178.15 178.42 1h9c h GLN 68 N 0.00 0.98 -0.37 2.37 -0.00 -0.99 -0.05 115.11 117.04 1h9c h GLN 68 Ca -0.01 -0.32 -0.06 0.00 -0.00 0.00 0.00 58.65 58.26 1h9c h GLN 68 Cb 1.30 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.68 1h9c h GLN 68 CO 0.10 0.99 -0.00 -0.09 0.00 0.00 0.00 178.83 179.83 1h9c h ARG 69 N 0.88 0.66 -0.55 1.69 1.12 -1.19 -2.13 114.38 114.87 1h9c h ARG 69 Ca 0.15 -0.21 -0.00 0.00 -1.11 0.00 0.00 59.98 58.81 1h9c h ARG 69 Cb 0.59 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.47 1h9c h ARG 69 CO 0.04 0.76 0.33 -0.07 -3.11 0.00 0.00 179.97 177.92 1h9c h LEU 70 N 0.48 0.66 -6.84 3.80 3.38 -1.09 -3.37 115.31 112.33 1h9c h LEU 70 Ca 0.11 -0.06 -0.61 0.00 0.09 0.00 0.00 57.88 57.40 1h9c h LEU 70 Cb 0.47 -0.17 -0.41 0.00 0.09 0.00 0.00 40.66 40.64 1h9c h LEU 70 CO 0.02 0.53 -0.65 0.18 0.09 0.00 0.00 178.44 178.61 1h9c n LEU 71 N -4.65 2.54 0.14 1.67 4.77 -0.04 -4.94 117.00 116.48 1h9c n LEU 71 Ca 0.03 -5.11 0.02 0.00 -0.03 0.00 0.00 56.01 50.92 1h9c n LEU 71 Cb 0.06 -0.52 0.12 0.00 -2.33 0.00 0.00 43.42 40.75 1h9c n LEU 71 CO 0.36 1.82 0.49 1.55 -1.33 0.00 0.00 177.39 180.28 1h9c h PRO 72 N 5.23 0.00 -0.04 3.23 0.13 -1.56 -3.16 132.00 135.81 1h9c h PRO 72 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1h9c h PRO 72 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1h9c h PRO 72 CO 0.68 0.55 0.00 0.09 -0.23 0.00 0.00 178.00 179.08 1h9c n ASN 73 N -3.39 0.38 -4.20 1.44 3.02 -1.26 -4.79 115.26 106.45 1h9c n ASN 73 Ca 0.01 -1.58 -0.29 0.00 -0.03 0.00 0.00 54.58 52.68 1h9c n ASN 73 Cb 0.68 -0.03 -0.16 0.00 -0.61 0.00 0.00 39.78 39.66 1h9c n ASN 73 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1h9c s LYS 74 N -1.94 2.26 -0.25 3.52 -0.14 -1.20 -5.10 119.74 116.89 1h9c s LYS 74 Ca 0.24 -0.77 -0.29 0.00 -1.36 0.00 0.00 55.97 53.79 1h9c s LYS 74 Cb 0.12 -1.90 -0.01 0.00 -1.68 0.00 0.00 37.83 34.35 1h9c s LYS 74 CO 0.19 0.30 1.43 -1.25 -0.76 0.00 0.00 175.35 175.26 1h9c s PRO 75 N -0.02 3.91 -0.23 -1.68 0.04 -1.26 -4.98 135.00 130.78 1h9c s PRO 75 Ca -0.05 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.48 1h9c s PRO 75 Cb -0.13 -3.93 0.04 0.00 0.04 0.00 0.00 34.50 30.51 1h9c s PRO 75 CO 0.04 -1.14 -0.13 0.08 0.04 0.00 0.00 177.00 175.89 1h9c s VAL 76 N 4.59 2.28 0.24 -0.36 1.01 -1.26 -1.77 120.40 125.13 1h9c s VAL 76 Ca 0.62 -1.25 0.11 0.00 0.00 0.00 0.00 61.98 61.46 1h9c s VAL 76 Cb -0.21 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1h9c s VAL 76 CO 0.25 0.23 -0.19 -1.61 0.00 0.00 0.00 175.10 173.77 1h9c s GLU 77 N 1.22 1.54 -0.13 2.72 0.41 -0.41 -5.01 118.70 119.04 1h9c s GLU 77 Ca -0.02 -1.67 -0.05 0.00 -0.41 0.00 0.00 54.97 52.83 1h9c s GLU 77 Cb -0.17 -1.59 -0.04 0.00 -1.78 0.00 0.00 34.13 30.56 1h9c s GLU 77 CO -0.08 0.30 0.05 0.08 -0.49 0.00 0.00 175.26 175.12 1h9c s VAL 78 N -2.48 4.70 0.13 2.63 1.01 -1.26 -1.12 120.40 124.00 1h9c s VAL 78 Ca 0.26 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 1h9c s VAL 78 Cb -0.04 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 1h9c s VAL 78 CO 0.12 0.56 1.47 -0.63 0.00 0.00 0.00 175.10 176.62 1h9c s ILE 79 N -0.45 3.04 0.13 2.22 1.01 0.03 -4.88 121.20 122.30 1h9c s ILE 79 Ca 0.09 0.73 -0.32 0.00 0.00 0.00 0.00 60.65 61.15 1h9c s ILE 79 Cb -0.12 -3.47 -0.12 0.00 0.01 0.00 0.00 42.46 38.77 1h9c s ILE 79 CO 0.02 0.05 1.76 -0.67 0.00 0.00 0.00 174.94 176.10 1h9c n ASP 80 N 4.10 3.78 -0.23 3.58 2.03 -1.26 -4.25 116.55 124.30 1h9c n ASP 80 Ca 0.13 1.02 0.10 0.00 0.52 0.00 0.00 54.79 56.56 1h9c n ASP 80 Cb 0.41 -1.51 0.37 0.00 -0.72 0.00 0.00 41.12 39.67 1h9c n ASP 80 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1h9c h SER 81 N 7.67 0.66 -0.12 1.67 0.02 -1.99 -1.26 113.55 120.19 1h9c h SER 81 Ca -0.46 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.47 1h9c h SER 81 Cb 1.23 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 1h9c h SER 81 CO 0.94 0.38 -0.12 0.25 -1.14 0.00 0.00 176.83 177.13 1h9c h LEU 82 N 0.72 0.32 -1.40 5.07 5.85 -1.99 -1.66 115.31 122.23 1h9c h LEU 82 Ca 0.39 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1h9c h LEU 82 Cb 0.53 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1h9c h LEU 82 CO -0.16 0.73 0.29 -0.07 -0.34 0.00 0.00 178.44 178.90 1h9c h LEU 83 N -0.09 0.62 -0.35 2.25 3.38 -1.84 -1.07 115.31 118.21 1h9c h LEU 83 Ca 0.02 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1h9c h LEU 83 Cb 0.64 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1h9c h LEU 83 CO 0.03 0.49 -0.08 0.22 0.09 0.00 0.00 178.44 179.19 1h9c h TYR 84 N 0.71 0.76 -0.05 1.13 3.20 -1.21 -1.25 116.97 120.26 1h9c h TYR 84 Ca 0.19 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1h9c h TYR 84 Cb 0.00 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 1h9c h TYR 84 CO 0.00 0.83 0.01 0.78 -1.64 0.00 0.00 178.16 178.14 1h9c h GLY 85 N 0.46 0.09 2.00 1.82 0.00 -0.84 -2.86 103.07 103.75 1h9c h GLY 85 Ca 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1h9c h GLY 85 CO 0.03 0.05 -0.17 0.50 0.00 0.00 0.00 176.54 176.96 1h9c h LYS 86 N -0.16 0.00 -5.54 4.80 1.57 -1.26 -3.47 116.57 112.50 1h9c h LYS 86 Ca 0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 1h9c h LYS 86 Cb 0.27 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.68 1h9c h LYS 86 CO 0.00 0.17 -0.53 0.28 -0.57 0.00 0.00 179.45 178.81 1h9c n VAL 87 N -3.83 -9.09 -3.43 0.50 0.31 -0.57 -4.97 118.33 97.25 1h9c n VAL 87 Ca -0.02 -0.82 -0.44 0.00 -0.01 0.00 0.00 64.34 63.05 1h9c n VAL 87 Cb 0.27 -6.37 -0.04 0.00 -0.91 0.00 0.00 33.84 26.79 1h9c n VAL 87 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1h9c s ASP 88 N -3.22 6.42 0.23 4.52 -1.08 -0.64 -4.93 116.67 117.97 1h9c s ASP 88 Ca 0.26 -2.83 -0.07 0.00 -0.52 0.00 0.00 52.55 49.39 1h9c s ASP 88 Cb -0.04 -2.12 0.28 0.00 -1.46 0.00 0.00 42.92 39.58 1h9c s ASP 88 CO 0.76 -0.49 1.86 1.23 0.52 0.00 0.00 175.17 179.05 1h9c h GLY 89 N 7.47 1.23 1.19 2.66 0.00 -1.86 -2.54 103.07 111.21 1h9c h GLY 89 Ca 0.09 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1h9c h GLY 89 CO 0.76 0.30 -0.07 -2.00 0.00 0.00 0.00 176.54 175.53 1h9c h LEU 90 N 0.99 0.95 -0.75 3.11 5.85 -1.92 0.05 115.31 123.58 1h9c h LEU 90 Ca 0.35 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1h9c h LEU 90 Cb 0.09 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1h9c h LEU 90 CO -0.14 1.04 0.49 1.23 -0.34 0.00 0.00 178.44 180.72 1h9c h GLY 91 N 0.97 1.07 1.72 3.75 0.00 -1.92 -1.30 103.07 107.36 1h9c h GLY 91 Ca 0.15 -0.38 -0.19 0.00 0.00 0.00 0.00 47.33 46.90 1h9c h GLY 91 CO 0.04 0.35 -0.81 -2.08 0.00 0.00 0.00 176.54 174.04 1h9c h VAL 92 N 0.99 1.44 -0.49 4.60 2.07 -1.12 -2.00 116.25 121.74 1h9c h VAL 92 Ca 0.29 -2.41 -0.03 0.00 0.82 0.00 0.00 66.70 65.37 1h9c h VAL 92 Cb -0.06 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1h9c h VAL 92 CO -0.08 0.71 0.19 0.25 0.02 0.00 0.00 177.57 178.66 1h9c h LEU 93 N 0.16 0.69 -0.82 2.57 6.46 -0.70 -0.20 115.31 123.47 1h9c h LEU 93 Ca -0.04 -0.18 -0.12 0.00 -0.12 0.00 0.00 57.88 57.43 1h9c h LEU 93 Cb 1.41 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 1h9c h LEU 93 CO 0.13 0.68 -0.38 0.11 -0.62 0.00 0.00 178.44 178.36 1h9c h LYS 94 N 0.66 0.43 -0.14 1.25 1.57 -1.16 -0.71 116.57 118.48 1h9c h LYS 94 Ca 0.16 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1h9c h LYS 94 Cb 0.21 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1h9c h LYS 94 CO -0.01 0.75 -0.50 0.00 -0.57 0.00 0.00 179.45 179.11 1h9c h ALA 95 N 1.24 0.88 -0.20 3.86 0.00 -1.13 -1.15 119.26 122.75 1h9c h ALA 95 Ca 0.04 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 1h9c h ALA 95 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1h9c h ALA 95 CO 0.07 0.67 -0.48 0.00 0.00 0.00 0.00 179.25 179.50 1h9c h ALA 96 N 1.17 0.33 -0.04 0.00 0.00 -0.83 -2.20 119.26 117.68 1h9c h ALA 96 Ca 0.01 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1h9c h ALA 96 Cb 0.99 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1h9c h ALA 96 CO 0.09 0.49 -0.55 -0.24 0.00 0.00 0.00 179.25 179.04 1h9c h VAL 97 N 0.38 1.38 -0.35 0.00 3.04 -1.10 -2.01 116.25 117.57 1h9c h VAL 97 Ca -0.00 -1.86 -0.08 0.00 -1.01 0.00 0.00 66.70 63.75 1h9c h VAL 97 Cb 1.09 1.95 -0.02 0.00 -2.01 0.00 0.00 31.29 32.31 1h9c h VAL 97 CO 0.10 0.54 -0.12 0.00 -1.01 0.00 0.00 177.57 177.09 1h9c h ALA 98 N 1.34 1.14 -0.04 3.17 0.00 -1.10 -0.65 119.26 123.13 1h9c h ALA 98 Ca -0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1h9c h ALA 98 Cb 0.99 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1h9c h ALA 98 CO 0.08 0.54 -0.73 0.00 0.00 0.00 0.00 179.25 179.14 1h9c h ALA 99 N 1.32 0.70 -0.05 0.00 0.00 -0.92 -0.46 119.26 119.84 1h9c h ALA 99 Ca 0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1h9c h ALA 99 Cb 0.53 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1h9c h ALA 99 CO 0.03 0.81 -0.05 0.82 0.00 0.00 0.00 179.25 180.87 1h9c h ILE 100 N 0.15 1.37 -0.81 0.00 2.04 -1.19 -1.69 117.51 117.38 1h9c h ILE 100 Ca -0.02 -1.19 0.01 0.00 1.00 0.00 0.00 64.86 64.66 1h9c h ILE 100 Cb 1.29 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 39.38 1h9c h ILE 100 CO 0.11 0.32 0.53 0.11 0.00 0.00 0.00 178.15 179.23 1h9c h LYS 101 N -0.32 1.07 -0.23 2.37 1.57 -1.06 -1.55 116.57 118.42 1h9c h LYS 101 Ca 0.01 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1h9c h LYS 101 Cb 0.54 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1h9c h LYS 101 CO 0.01 0.72 -0.34 -0.22 -0.57 0.00 0.00 179.45 179.05 1h9c h LYS 102 N 1.11 0.64 -0.86 3.15 3.64 -1.04 -0.07 116.57 123.13 1h9c h LYS 102 Ca 0.30 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1h9c h LYS 102 Cb -0.12 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1h9c h LYS 102 CO -0.06 0.99 0.49 0.00 -2.27 0.00 0.00 179.45 178.60 1h9c h ALA 103 N 0.64 1.26 0.14 5.00 0.00 -1.15 -3.02 119.26 122.13 1h9c h ALA 103 Ca 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1h9c h ALA 103 Cb 0.92 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1h9c h ALA 103 CO 0.08 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.88 1h9c h ALA 104 N 1.35 -0.95 0.00 0.00 0.00 -1.17 -3.49 119.26 115.01 1h9c h ALA 104 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1h9c h ALA 104 Cb -0.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1h9c h ALA 104 CO -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 179.25 178.26 1h9c n ALA 105 N -2.11 0.00 -1.87 0.00 0.00 -0.08 -5.10 120.51 111.34 1h9c n ALA 105 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1h9c n ALA 105 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1h9c n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79