#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9a s LYS 2 N 0.00 3.48 0.04 3.17 -0.14 -1.26 -1.00 119.74 124.03 1y9a s LYS 2 Ca 0.00 -0.28 -0.18 0.00 -1.36 0.00 0.00 55.97 54.15 1y9a s LYS 2 Cb 0.00 -3.07 0.03 0.00 -1.68 0.00 0.00 37.83 33.12 1y9a s LYS 2 CO 0.00 0.65 0.40 0.20 -0.76 0.00 0.00 175.35 175.83 1y9a s GLY 3 N -2.03 -0.26 -0.27 -3.33 0.00 -0.32 -2.61 107.32 98.51 1y9a s GLY 3 Ca 0.30 0.28 -0.20 0.00 0.00 0.00 0.00 44.72 45.10 1y9a s GLY 3 CO 0.20 0.03 0.59 -2.27 0.00 0.00 0.00 173.10 171.65 1y9a s LEU 4 N -1.99 4.08 0.18 0.66 2.96 -0.53 -0.82 118.68 123.22 1y9a s LEU 4 Ca -0.05 0.58 0.09 0.00 -0.22 0.00 0.00 54.13 54.52 1y9a s LEU 4 Cb -0.01 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 1y9a s LEU 4 CO -0.02 -0.37 -0.19 0.00 -1.32 0.00 0.00 176.35 174.45 1y9a s ALA 5 N 2.47 2.09 -0.12 5.97 0.00 0.18 -1.22 121.76 131.13 1y9a s ALA 5 Ca 0.24 -1.54 -0.26 0.00 0.00 0.00 0.00 51.96 50.40 1y9a s ALA 5 Cb -0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1y9a s ALA 5 CO 0.09 0.24 0.87 1.41 0.00 0.00 0.00 175.76 178.37 1y9a s MET 6 N -2.89 4.37 -0.75 0.00 1.75 0.14 -1.24 119.30 120.68 1y9a s MET 6 Ca 0.17 1.12 0.03 0.00 -1.25 0.00 0.00 55.69 55.76 1y9a s MET 6 Cb -0.05 -3.54 0.32 0.00 2.84 0.00 0.00 34.83 34.40 1y9a s MET 6 CO 0.07 -0.24 1.20 1.28 -0.65 0.00 0.00 175.02 176.68 1y9a n LEU 7 N 4.83 5.31 0.00 4.11 4.77 0.14 -1.40 117.00 134.76 1y9a n LEU 7 Ca 0.05 -5.53 0.00 0.00 -0.03 0.00 0.00 56.01 50.50 1y9a n LEU 7 Cb 0.49 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1y9a n LEU 7 CO 0.49 2.17 0.00 0.61 -1.33 0.00 0.00 177.39 179.33 1y9a n GLY 8 N 0.11 -2.43 3.64 -0.72 0.00 -0.16 -4.52 105.19 101.10 1y9a n GLY 8 Ca 0.35 -1.39 -0.51 0.00 0.00 0.00 0.00 46.02 44.47 1y9a n GLY 8 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1y9a n ILE 9 N -1.48 0.09 -0.09 -0.61 5.41 -1.26 -1.70 119.36 119.71 1y9a n ILE 9 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1y9a n ILE 9 Cb 0.00 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 1y9a n ILE 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1y9a n GLY 10 N 3.15 0.54 2.86 7.39 0.00 0.84 -5.01 105.19 114.97 1y9a n GLY 10 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1y9a n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y9a s ARG 11 N -0.84 0.02 0.15 1.61 3.52 -0.69 -4.94 118.95 117.78 1y9a s ARG 11 Ca 0.00 0.01 0.11 0.00 -0.13 0.00 0.00 55.73 55.72 1y9a s ARG 11 Cb 0.00 -0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.29 1y9a s ARG 11 CO 0.00 -0.01 -0.25 0.96 -0.81 0.00 0.00 175.30 175.19 1y9a s ILE 12 N 0.12 2.37 -0.00 4.11 -4.36 -1.26 0.26 121.20 122.43 1y9a s ILE 12 Ca -0.01 -1.80 -0.28 0.00 -0.26 0.00 0.00 60.65 58.30 1y9a s ILE 12 Cb -0.02 -2.08 0.10 0.00 1.25 0.00 0.00 42.46 41.71 1y9a s ILE 12 CO -0.00 0.03 0.86 -0.83 0.24 0.00 0.00 174.94 175.24 1y9a s GLY 13 N -2.25 -0.47 0.09 6.27 0.00 -0.37 -4.90 107.32 105.70 1y9a s GLY 13 Ca 0.16 1.07 -0.30 0.00 0.00 0.00 0.00 44.72 45.65 1y9a s GLY 13 CO 0.08 0.41 1.11 -0.98 0.00 0.00 0.00 173.10 173.72 1y9a s TRP 14 N -2.90 3.55 0.18 1.90 0.52 -1.26 -0.64 118.94 120.29 1y9a s TRP 14 Ca 0.03 1.50 0.01 0.00 0.02 0.00 0.00 56.10 57.67 1y9a s TRP 14 Cb -0.01 -3.30 -0.05 0.00 -1.15 0.00 0.00 33.47 28.97 1y9a s TRP 14 CO -0.08 -0.74 0.03 0.96 0.02 0.00 0.00 176.95 177.14 1y9a s ILE 15 N 0.53 0.56 -0.17 2.03 -4.36 0.00 -4.96 121.20 114.84 1y9a s ILE 15 Ca 0.54 -1.98 -0.07 0.00 -0.26 0.00 0.00 60.65 58.88 1y9a s ILE 15 Cb -0.28 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 1y9a s ILE 15 CO 0.31 -0.37 0.07 -0.70 0.24 0.00 0.00 174.94 174.49 1y9a s GLU 16 N -3.96 3.87 0.12 0.37 2.56 -1.26 -1.18 118.70 119.21 1y9a s GLU 16 Ca 0.27 -0.32 0.04 0.00 0.00 0.00 0.00 54.97 54.96 1y9a s GLU 16 Cb 0.07 -3.19 -0.04 0.00 2.00 0.00 0.00 34.13 32.97 1y9a s GLU 16 CO 0.06 0.36 -0.10 0.15 -0.56 0.00 0.00 175.26 175.17 1y9a s LYS 17 N 0.14 0.93 0.78 4.30 1.02 -0.17 -4.95 119.74 121.79 1y9a s LYS 17 Ca 0.05 -1.30 -0.11 0.00 0.02 0.00 0.00 55.97 54.63 1y9a s LYS 17 Cb -0.12 -0.52 0.06 0.00 -0.52 0.00 0.00 37.83 36.73 1y9a s LYS 17 CO 0.00 0.06 1.09 -1.59 -0.92 0.00 0.00 175.35 174.00 1y9a s LYS 18 N -3.33 2.24 0.27 1.68 -2.85 -1.26 -0.80 119.74 115.68 1y9a s LYS 18 Ca 0.11 1.10 -0.29 0.00 -1.00 0.00 0.00 55.97 55.88 1y9a s LYS 18 Cb 0.01 -1.90 -0.10 0.00 -2.06 0.00 0.00 37.83 33.78 1y9a s LYS 18 CO -0.01 -1.64 1.24 0.42 0.10 0.00 0.00 175.35 175.47 1y9a s ILE 19 N -2.93 3.13 0.58 3.79 1.01 -1.26 -4.77 121.20 120.74 1y9a s ILE 19 Ca 0.61 1.06 -0.20 0.00 0.00 0.00 0.00 60.65 62.12 1y9a s ILE 19 Cb -0.17 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1y9a s ILE 19 CO 0.56 0.22 1.27 -2.84 0.00 0.00 0.00 174.94 174.16 1y9a s PRO 20 N -1.12 3.00 0.55 2.79 0.02 -1.26 -5.00 135.00 133.98 1y9a s PRO 20 Ca 0.50 2.02 -0.18 0.00 0.02 0.00 0.00 61.00 63.36 1y9a s PRO 20 Cb -0.36 -2.06 -0.05 0.00 0.02 0.00 0.00 34.50 32.04 1y9a s PRO 20 CO 0.44 -1.24 1.08 -1.21 -0.33 0.00 0.00 177.00 175.74 1y9a s GLU 21 N -3.14 3.43 -0.30 5.54 2.02 -1.26 -5.02 118.70 119.96 1y9a s GLU 21 Ca 0.76 1.39 0.02 0.00 0.02 0.00 0.00 54.97 57.16 1y9a s GLU 21 Cb -0.35 -2.04 0.07 0.00 0.10 0.00 0.00 34.13 31.92 1y9a s GLU 21 CO 0.40 -0.75 -0.02 0.00 0.02 0.00 0.00 175.26 174.91 1y9a s GLY 23 N 1.11 1.67 0.53 0.00 0.00 -1.26 -4.82 107.32 104.56 1y9a s GLY 23 Ca -0.01 -0.95 0.19 0.00 0.00 0.00 0.00 44.72 43.95 1y9a s GLY 23 CO -0.05 -0.22 2.12 -2.55 0.00 0.00 0.00 173.10 172.40 1y9a h PRO 24 N -1.82 0.00 -0.12 2.90 0.11 -1.97 -1.14 132.00 129.96 1y9a h PRO 24 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1y9a h PRO 24 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1y9a h PRO 24 CO 0.44 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.51 1y9a n LEU 25 N -4.45 2.82 -4.97 2.35 4.32 -1.26 -0.69 117.00 115.12 1y9a n LEU 25 Ca 0.00 -1.16 -0.21 0.00 -0.02 0.00 0.00 56.01 54.63 1y9a n LEU 25 Cb 0.22 -0.07 0.02 0.00 -1.62 0.00 0.00 43.42 41.97 1y9a n LEU 25 CO 0.34 0.53 0.28 -1.81 -1.22 0.00 0.00 177.39 175.51 1y9a s ASP 26 N -1.56 5.57 0.03 -1.43 1.01 -0.43 -1.25 116.67 118.61 1y9a s ASP 26 Ca 0.26 -0.01 0.01 0.00 0.71 0.00 0.00 52.55 53.53 1y9a s ASP 26 Cb 0.17 -1.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.01 1y9a s ASP 26 CO 0.26 -0.88 -0.05 0.00 0.21 0.00 0.00 175.17 174.71 1y9a s ALA 27 N -2.58 0.31 -0.06 5.23 0.00 -0.63 -1.22 121.76 122.81 1y9a s ALA 27 Ca 0.53 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 1y9a s ALA 27 Cb -0.10 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1y9a s ALA 27 CO 0.37 -0.09 0.01 -0.51 0.00 0.00 0.00 175.76 175.54 1y9a s LEU 28 N -1.44 3.61 -0.00 0.00 1.43 -0.30 -0.78 118.68 121.19 1y9a s LEU 28 Ca -0.13 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1y9a s LEU 28 Cb -0.10 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1y9a s LEU 28 CO -0.00 0.35 -0.01 -0.69 0.23 0.00 0.00 176.35 176.23 1y9a s VAL 29 N -0.95 0.07 -0.06 -1.59 1.01 -0.35 -0.97 120.40 117.57 1y9a s VAL 29 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 1y9a s VAL 29 Cb -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 1y9a s VAL 29 CO 0.05 0.03 0.04 0.00 0.00 0.00 0.00 175.10 175.22 1y9a s ARG 30 N 0.12 3.03 0.17 2.72 1.70 0.19 -0.67 118.95 126.21 1y9a s ARG 30 Ca -0.01 -0.42 -0.30 0.00 -0.47 0.00 0.00 55.73 54.53 1y9a s ARG 30 Cb -0.02 -2.84 -0.07 0.00 -0.57 0.00 0.00 34.95 31.44 1y9a s ARG 30 CO -0.00 0.69 1.06 -1.25 -1.08 0.00 0.00 175.30 174.72 1y9a s PRO 31 N -1.21 4.63 -0.22 3.89 0.04 -1.26 -0.95 135.00 139.92 1y9a s PRO 31 Ca 0.17 1.65 0.06 0.00 0.04 0.00 0.00 61.00 62.92 1y9a s PRO 31 Cb -0.12 -3.30 -0.18 0.00 0.04 0.00 0.00 34.50 30.95 1y9a s PRO 31 CO 0.06 0.13 -0.13 1.28 0.04 0.00 0.00 177.00 178.38 1y9a n LEU 32 N 2.39 2.11 -3.82 -3.56 4.77 0.51 -4.65 117.00 114.75 1y9a n LEU 32 Ca 0.02 -0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 1y9a n LEU 32 Cb 0.47 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1y9a n LEU 32 CO 0.53 0.78 -0.19 0.00 -1.33 0.00 0.00 177.39 177.17 1y9a s ALA 33 N -2.47 -0.38 0.03 -1.18 0.00 -0.76 -0.78 121.76 116.22 1y9a s ALA 33 Ca -0.26 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1y9a s ALA 33 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1y9a s ALA 33 CO 0.61 -0.08 -0.04 -0.51 0.00 0.00 0.00 175.76 175.74 1y9a s LEU 34 N -0.00 2.24 0.03 0.00 1.43 0.18 -0.75 118.68 121.81 1y9a s LEU 34 Ca -0.01 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1y9a s LEU 34 Cb -0.01 0.02 -0.02 0.00 0.03 0.00 0.00 46.19 46.21 1y9a s LEU 34 CO 0.00 -0.27 -0.06 0.00 0.23 0.00 0.00 176.35 176.25 1y9a s ALA 35 N -1.44 0.46 0.41 4.21 0.00 -1.03 -0.67 121.76 123.70 1y9a s ALA 35 Ca -0.14 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 1y9a s ALA 35 Cb -0.10 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1y9a s ALA 35 CO -0.01 -0.00 0.66 -1.25 0.00 0.00 0.00 175.76 175.16 1y9a s PRO 36 N -1.12 3.48 -0.00 0.00 0.04 -1.26 -4.20 135.00 131.93 1y9a s PRO 36 Ca -0.07 -0.12 0.04 0.00 0.04 0.00 0.00 61.00 60.88 1y9a s PRO 36 Cb -0.08 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 1y9a s PRO 36 CO 0.00 -0.03 -0.11 0.00 0.04 0.00 0.00 177.00 176.90 1y9a h THR 38 N 4.80 0.72 -0.93 0.00 2.02 -1.97 -1.34 112.91 116.22 1y9a h THR 38 Ca -0.33 -0.08 0.11 0.00 0.77 0.00 0.00 66.41 66.88 1y9a h THR 38 Cb 1.17 0.47 -0.08 0.00 -1.74 0.00 0.00 68.15 67.98 1y9a h THR 38 CO 0.48 0.04 0.56 0.28 0.37 0.00 0.00 175.52 177.25 1y9a h SER 39 N 0.23 0.81 0.26 4.18 0.02 -1.96 -0.64 113.55 116.44 1y9a h SER 39 Ca 0.36 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.31 1y9a h SER 39 Cb 1.08 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1y9a h SER 39 CO -0.08 0.44 -0.24 0.44 -1.14 0.00 0.00 176.83 176.25 1y9a h ASP 40 N 0.90 0.00 -0.56 3.07 3.32 -1.61 -0.58 116.42 120.96 1y9a h ASP 40 Ca 0.46 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.42 1y9a h ASP 40 Cb 0.45 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1y9a h ASP 40 CO -0.26 0.24 0.00 0.71 -1.72 0.00 0.00 179.24 178.21 1y9a h THR 41 N 0.00 1.26 -0.43 0.35 1.35 -1.15 0.74 112.91 115.03 1y9a h THR 41 Ca -0.00 -1.12 -0.09 0.00 -0.55 0.00 0.00 66.41 64.65 1y9a h THR 41 Cb 0.43 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1y9a h THR 41 CO 0.03 0.41 -0.07 0.45 -0.25 0.00 0.00 175.52 176.09 1y9a h HIS 42 N 0.93 0.90 -0.19 4.73 3.86 -1.14 -1.87 115.15 122.37 1y9a h HIS 42 Ca 0.17 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1y9a h HIS 42 Cb 0.53 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1y9a h HIS 42 CO 0.04 0.90 -0.00 1.15 0.86 0.00 0.00 177.93 180.87 1y9a h THR 43 N 0.64 1.25 0.20 2.45 2.02 -0.87 -1.98 112.91 116.61 1y9a h THR 43 Ca 0.11 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1y9a h THR 43 Cb 0.59 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1y9a h THR 43 CO 0.04 0.26 -0.10 0.58 0.37 0.00 0.00 175.52 176.67 1y9a h VAL 44 N 0.08 0.81 0.00 3.16 2.07 -0.92 -3.18 116.25 118.27 1y9a h VAL 44 Ca 0.05 -0.98 -0.15 0.00 0.82 0.00 0.00 66.70 66.44 1y9a h VAL 44 Cb 0.39 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1y9a h VAL 44 CO 0.01 0.19 -1.68 0.79 0.02 0.00 0.00 177.57 176.90 1y9a n TRP 45 N -4.98 0.58 0.86 1.57 8.01 -0.70 -0.11 117.44 122.67 1y9a n TRP 45 Ca -0.08 0.19 0.10 0.00 -1.31 0.00 0.00 57.50 56.40 1y9a n TRP 45 Cb 0.26 -0.93 -0.08 0.00 -2.01 0.00 0.00 31.31 28.55 1y9a n TRP 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1y9a n ALA 46 N -2.41 4.33 -2.52 6.99 0.00 -0.81 -4.73 120.51 121.35 1y9a n ALA 46 Ca -0.12 -0.55 -0.17 0.00 0.00 0.00 0.00 53.44 52.60 1y9a n ALA 46 Cb 0.81 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 19.45 1y9a n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y9a n GLY 47 N 1.46 -0.28 0.26 0.00 0.00 -0.81 -4.89 105.19 100.93 1y9a n GLY 47 Ca 0.03 -0.16 0.17 0.00 0.00 0.00 0.00 46.02 46.06 1y9a n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y9a h ALA 48 N 0.77 1.00 0.00 4.61 0.00 -1.62 -1.97 119.26 122.05 1y9a h ALA 48 Ca -0.39 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1y9a h ALA 48 Cb 1.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1y9a h ALA 48 CO 0.45 0.00 -0.25 0.44 0.00 0.00 0.00 179.25 179.89 1y9a n ILE 49 N -2.96 1.47 -0.08 0.00 -5.35 -1.26 -5.02 119.36 106.15 1y9a n ILE 49 Ca 0.01 -1.93 0.00 0.00 -0.27 0.00 0.00 62.75 60.55 1y9a n ILE 49 Cb 0.29 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.17 1y9a n ILE 49 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y9a n GLY 50 N -0.99 -3.58 3.86 3.28 0.00 -0.74 -5.01 105.19 102.01 1y9a n GLY 50 Ca 0.13 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1y9a n GLY 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y9a s ASP 51 N -0.88 6.70 -0.02 1.61 2.15 -1.26 -4.86 116.67 120.10 1y9a s ASP 51 Ca 0.00 1.08 -0.06 0.00 0.43 0.00 0.00 52.55 54.01 1y9a s ASP 51 Cb 0.00 -2.29 0.01 0.00 -0.30 0.00 0.00 42.92 40.33 1y9a s ASP 51 CO 0.00 -0.13 0.13 -0.13 -0.17 0.00 0.00 175.17 174.88 1y9a s ARG 52 N -2.86 0.33 -0.08 4.34 1.81 -1.26 -5.02 118.95 116.20 1y9a s ARG 52 Ca 0.50 -0.13 0.04 0.00 -1.72 0.00 0.00 55.73 54.42 1y9a s ARG 52 Cb -0.11 0.14 0.00 0.00 -0.45 0.00 0.00 34.95 34.53 1y9a s ARG 52 CO 0.19 -0.07 -0.21 -1.01 -0.68 0.00 0.00 175.30 173.53 1y9a s HIS 53 N -0.71 2.22 -1.39 -0.53 3.76 -1.26 -0.99 115.29 116.39 1y9a s HIS 53 Ca -0.08 -0.84 -0.03 0.00 -0.15 0.00 0.00 55.06 53.96 1y9a s HIS 53 Cb -0.05 -1.50 0.01 0.00 1.11 0.00 0.00 32.58 32.16 1y9a s HIS 53 CO 0.01 -0.34 0.23 -0.25 -0.85 0.00 0.00 174.74 173.54 1y9a n ASP 54 N 3.48 -4.87 -4.58 1.40 9.92 -0.49 -4.93 116.55 116.48 1y9a n ASP 54 Ca -0.20 -0.08 -0.42 0.00 -0.53 0.00 0.00 54.79 53.57 1y9a n ASP 54 Cb 0.53 -4.04 -0.06 0.00 -0.64 0.00 0.00 41.12 36.91 1y9a n ASP 54 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1y9a s MET 55 N -5.38 3.74 0.28 -1.24 1.75 -1.06 -4.84 119.30 112.55 1y9a s MET 55 Ca 0.15 0.24 -0.30 0.00 -1.25 0.00 0.00 55.69 54.53 1y9a s MET 55 Cb -0.07 -3.81 -0.11 0.00 2.84 0.00 0.00 34.83 33.68 1y9a s MET 55 CO 0.18 -0.81 1.59 0.42 -0.65 0.00 0.00 175.02 175.75 1y9a s ILE 56 N 2.97 2.13 0.72 10.11 -1.09 -1.26 -0.68 121.20 134.09 1y9a s ILE 56 Ca 0.29 0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.81 1y9a s ILE 56 Cb -0.14 -3.07 0.12 0.00 -1.58 0.00 0.00 42.46 37.80 1y9a s ILE 56 CO 0.16 0.02 0.99 -0.76 -1.23 0.00 0.00 174.94 174.12 1y9a s LEU 57 N -0.39 2.98 0.00 2.97 1.43 -0.36 -0.28 118.68 125.03 1y9a s LEU 57 Ca 0.64 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1y9a s LEU 57 Cb -0.47 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1y9a s LEU 57 CO 0.46 -1.85 0.00 0.61 0.23 0.00 0.00 176.35 175.80 1y9a n GLY 58 N -2.83 -1.67 1.09 -3.19 0.00 -1.26 -1.58 105.19 95.75 1y9a n GLY 58 Ca 0.15 -1.28 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 1y9a n GLY 58 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1y9a n HIS 59 N -0.25 0.00 -3.85 1.61 1.44 -1.26 -1.66 115.22 111.25 1y9a n HIS 59 Ca 0.00 -0.40 -0.28 0.00 -2.01 0.00 0.00 57.72 55.03 1y9a n HIS 59 Cb 0.00 0.16 -0.16 0.00 0.12 0.00 0.00 29.99 30.11 1y9a n HIS 59 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1y9a s GLU 60 N 0.00 1.19 -0.11 -1.40 2.02 -1.26 -3.70 118.70 115.45 1y9a s GLU 60 Ca 0.13 -0.59 -0.16 0.00 0.02 0.00 0.00 54.97 54.38 1y9a s GLU 60 Cb 0.15 -2.15 0.04 0.00 0.10 0.00 0.00 34.13 32.27 1y9a s GLU 60 CO -0.07 -0.54 0.40 0.00 0.02 0.00 0.00 175.26 175.07 1y9a s ALA 61 N 1.66 -1.00 -0.08 5.21 0.00 -1.26 -2.48 121.76 123.81 1y9a s ALA 61 Ca -0.01 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 1y9a s ALA 61 Cb -0.17 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1y9a s ALA 61 CO -0.07 -0.23 -0.01 0.08 0.00 0.00 0.00 175.76 175.53 1y9a s VAL 62 N -0.34 4.21 0.34 0.00 1.01 0.07 -1.84 120.40 123.84 1y9a s VAL 62 Ca -0.05 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1y9a s VAL 62 Cb -0.03 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1y9a s VAL 62 CO 0.02 0.60 0.33 -0.83 0.00 0.00 0.00 175.10 175.22 1y9a s GLY 63 N -0.90 2.15 -0.04 4.51 0.00 -0.01 -0.37 107.32 112.67 1y9a s GLY 63 Ca 0.13 -1.95 0.01 0.00 0.00 0.00 0.00 44.72 42.92 1y9a s GLY 63 CO 0.02 -1.36 -0.06 1.62 0.00 0.00 0.00 173.10 173.33 1y9a s GLN 64 N -3.32 0.88 0.11 2.90 0.74 -0.12 -0.38 119.66 120.46 1y9a s GLN 64 Ca 0.38 -0.15 -0.31 0.00 0.05 0.00 0.00 55.36 55.33 1y9a s GLN 64 Cb 0.02 -0.85 -0.08 0.00 1.10 0.00 0.00 33.01 33.19 1y9a s GLN 64 CO 0.26 -0.04 1.47 0.42 -0.55 0.00 0.00 175.29 176.86 1y9a s ILE 65 N 0.74 3.14 -0.11 -2.34 -1.09 0.19 -0.64 121.20 121.08 1y9a s ILE 65 Ca -0.10 0.77 0.06 0.00 -2.23 0.00 0.00 60.65 59.14 1y9a s ILE 65 Cb -0.13 -3.49 -0.07 0.00 -1.58 0.00 0.00 42.46 37.18 1y9a s ILE 65 CO 0.01 0.04 0.17 1.33 -1.23 0.00 0.00 174.94 175.26 1y9a n VAL 66 N 4.15 0.00 -3.62 2.92 0.24 -0.15 -0.74 118.33 121.14 1y9a n VAL 66 Ca 0.13 -0.23 -0.16 0.00 -2.04 0.00 0.00 64.34 62.04 1y9a n VAL 66 Cb 0.41 0.64 -0.07 0.00 -1.47 0.00 0.00 33.84 33.35 1y9a n VAL 66 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1y9a s LYS 67 N -2.01 0.87 0.07 7.34 2.20 -1.09 -4.94 119.74 122.18 1y9a s LYS 67 Ca -0.00 0.36 0.05 0.00 -0.36 0.00 0.00 55.97 56.01 1y9a s LYS 67 Cb 0.04 0.41 -0.03 0.00 -1.51 0.00 0.00 37.83 36.74 1y9a s LYS 67 CO 0.23 -0.22 -0.13 0.14 -0.36 0.00 0.00 175.35 175.00 1y9a s VAL 68 N -0.73 1.07 0.78 4.02 -7.23 -1.26 -1.15 120.40 115.90 1y9a s VAL 68 Ca -0.08 -1.33 -0.12 0.00 -1.81 0.00 0.00 61.98 58.65 1y9a s VAL 68 Cb -0.02 -1.08 0.06 0.00 0.56 0.00 0.00 36.38 35.90 1y9a s VAL 68 CO 0.06 -0.27 1.10 -0.83 -0.31 0.00 0.00 175.10 174.85 1y9a s GLY 69 N -1.81 1.62 0.63 2.32 0.00 -0.36 -4.94 107.32 104.79 1y9a s GLY 69 Ca -0.02 -0.26 0.42 0.00 0.00 0.00 0.00 44.72 44.86 1y9a s GLY 69 CO 0.02 0.16 2.29 1.48 0.00 0.00 0.00 173.10 177.05 1y9a h SER 70 N -1.01 0.00 -0.31 1.64 4.64 -1.75 -2.32 113.55 114.44 1y9a h SER 70 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1y9a h SER 70 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1y9a h SER 70 CO 0.61 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.75 1y9a n LEU 71 N -3.04 2.81 -4.70 5.97 4.77 0.13 -4.94 117.00 118.00 1y9a n LEU 71 Ca -0.02 -1.92 -0.42 0.00 -0.03 0.00 0.00 56.01 53.62 1y9a n LEU 71 Cb 0.10 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1y9a n LEU 71 CO 0.21 0.69 0.88 -0.69 -1.33 0.00 0.00 177.39 177.15 1y9a s VAL 72 N -0.99 4.28 -0.03 4.08 1.01 -0.87 -4.89 120.40 122.98 1y9a s VAL 72 Ca 0.21 1.62 0.01 0.00 0.00 0.00 0.00 61.98 63.83 1y9a s VAL 72 Cb 0.11 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1y9a s VAL 72 CO 0.15 0.07 0.04 0.29 0.00 0.00 0.00 175.10 175.65 1y9a n LYS 73 N 4.52 3.37 0.00 2.72 4.76 -1.26 -4.75 118.16 127.51 1y9a n LYS 73 Ca 0.09 -0.01 0.05 0.00 -2.87 0.00 0.00 58.31 55.58 1y9a n LYS 73 Cb 0.47 -0.79 -0.05 0.00 -1.84 0.00 0.00 35.03 32.82 1y9a n LYS 73 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1y9a n ARG 74 N -1.28 3.16 -4.32 1.97 1.74 -1.26 -5.00 116.66 111.66 1y9a n ARG 74 Ca 0.00 -0.12 -0.23 0.00 -0.77 0.00 0.00 57.85 56.73 1y9a n ARG 74 Cb 0.03 -1.03 -0.13 0.00 -1.02 0.00 0.00 32.46 30.31 1y9a n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1y9a s LEU 75 N -2.37 2.27 0.15 0.55 1.43 -1.26 -5.06 118.68 114.39 1y9a s LEU 75 Ca 0.05 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1y9a s LEU 75 Cb 0.08 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1y9a s LEU 75 CO 0.42 0.05 -0.01 -1.59 0.23 0.00 0.00 176.35 175.44 1y9a s LYS 76 N -1.74 1.02 0.23 1.70 -2.85 -1.26 -5.00 119.74 111.84 1y9a s LYS 76 Ca 0.05 -1.47 -0.31 0.00 -1.00 0.00 0.00 55.97 53.24 1y9a s LYS 76 Cb -0.10 -0.22 -0.14 0.00 -2.06 0.00 0.00 37.83 35.31 1y9a s LYS 76 CO 0.03 -0.11 1.30 0.28 0.10 0.00 0.00 175.35 176.96 1y9a n VAL 77 N -0.18 1.06 0.00 1.79 0.31 -1.26 -1.94 118.33 118.11 1y9a n VAL 77 Ca -0.08 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1y9a n VAL 77 Cb 0.63 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 1y9a n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y9a n GLY 78 N 1.98 3.29 3.69 2.92 0.00 0.08 -4.49 105.19 112.67 1y9a n GLY 78 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1y9a n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y9a n ASP 79 N 0.04 2.83 -4.83 1.61 8.00 -0.82 -4.66 116.55 118.72 1y9a n ASP 79 Ca 0.00 1.18 -0.36 0.00 0.71 0.00 0.00 54.79 56.32 1y9a n ASP 79 Cb 0.00 -1.47 -0.07 0.00 -0.02 0.00 0.00 41.12 39.56 1y9a n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1y9a s LYS 80 N -1.25 3.66 0.03 -1.24 1.02 -1.26 -0.64 119.74 120.05 1y9a s LYS 80 Ca 0.61 -0.17 0.01 0.00 0.02 0.00 0.00 55.97 56.44 1y9a s LYS 80 Cb -0.59 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.45 1y9a s LYS 80 CO 0.57 0.63 -0.06 0.14 -0.92 0.00 0.00 175.35 175.71 1y9a s VAL 81 N -0.59 0.38 -0.20 3.17 -7.23 0.48 -1.26 120.40 115.16 1y9a s VAL 81 Ca 0.13 -0.83 -0.21 0.00 -1.81 0.00 0.00 61.98 59.26 1y9a s VAL 81 Cb -0.12 -0.44 -0.02 0.00 0.56 0.00 0.00 36.38 36.35 1y9a s VAL 81 CO 0.02 -0.30 0.63 -0.63 -0.31 0.00 0.00 175.10 174.51 1y9a s ILE 82 N -1.10 5.02 -0.31 -0.62 1.01 0.74 -0.83 121.20 125.12 1y9a s ILE 82 Ca -0.09 1.19 -0.10 0.00 0.00 0.00 0.00 60.65 61.65 1y9a s ILE 82 Cb -0.08 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 1y9a s ILE 82 CO -0.00 0.11 0.17 -0.69 0.00 0.00 0.00 174.94 174.53 1y9a s VAL 83 N 1.92 4.72 0.37 2.92 1.01 -0.77 -3.06 120.40 127.51 1y9a s VAL 83 Ca 0.29 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.64 1y9a s VAL 83 Cb -0.16 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 1y9a s VAL 83 CO 0.10 0.06 1.11 -2.16 0.00 0.00 0.00 175.10 174.22 1y9a s PRO 84 N 1.63 4.23 0.49 2.72 0.04 -1.26 -4.15 135.00 138.70 1y9a s PRO 84 Ca 0.05 1.72 0.17 0.00 0.04 0.00 0.00 61.00 62.98 1y9a s PRO 84 Cb -0.17 -2.75 1.21 0.00 0.04 0.00 0.00 34.50 32.83 1y9a s PRO 84 CO 0.07 -0.14 2.06 0.00 0.04 0.00 0.00 177.00 179.04 1y9a h ALA 85 N 2.86 2.11 -3.17 8.56 0.00 -1.42 -3.40 119.26 124.80 1y9a h ALA 85 Ca -0.48 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 53.78 1y9a h ALA 85 Cb 1.22 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 1y9a h ALA 85 CO 0.63 -0.18 -0.62 0.42 0.00 0.00 0.00 179.25 179.50 1y9a s ILE 86 N -5.17 4.28 -0.53 0.00 1.09 -1.26 -4.24 121.20 115.36 1y9a s ILE 86 Ca -0.06 -0.20 0.04 0.00 -1.10 0.00 0.00 60.65 59.33 1y9a s ILE 86 Cb 0.18 -2.94 0.17 0.00 -1.06 0.00 0.00 42.46 38.82 1y9a s ILE 86 CO 0.71 0.43 0.41 0.42 -0.10 0.00 0.00 174.94 176.80 1y9a s THR 87 N 0.82 1.39 0.87 2.92 -4.23 0.13 -1.61 115.64 115.94 1y9a s THR 87 Ca 0.02 -3.33 -0.10 0.00 -1.18 0.00 0.00 61.69 57.09 1y9a s THR 87 Cb -0.14 -1.94 0.12 0.00 1.34 0.00 0.00 72.50 71.88 1y9a s THR 87 CO 0.02 -1.14 1.13 -2.84 -0.54 0.00 0.00 174.62 171.24 1y9a s PRO 88 N -0.58 1.41 -0.64 3.99 0.02 -1.25 -4.83 135.00 133.12 1y9a s PRO 88 Ca 0.30 1.41 -0.21 0.00 0.02 0.00 0.00 61.00 62.51 1y9a s PRO 88 Cb 0.01 -1.78 0.08 0.00 0.02 0.00 0.00 34.50 32.82 1y9a s PRO 88 CO -0.19 -2.32 0.89 -0.51 -0.33 0.00 0.00 177.00 174.54 1y9a s ASP 89 N -2.92 6.18 0.47 2.53 1.01 -1.26 -4.84 116.67 117.84 1y9a s ASP 89 Ca 0.65 -1.12 0.31 0.00 0.71 0.00 0.00 52.55 53.10 1y9a s ASP 89 Cb -0.21 -2.38 1.26 0.00 1.01 0.00 0.00 42.92 42.59 1y9a s ASP 89 CO 0.57 -1.34 1.91 -0.50 0.21 0.00 0.00 175.17 176.02 1y9a h TRP 90 N 9.45 0.00 -0.01 4.23 4.06 -1.93 -2.62 115.95 129.13 1y9a h TRP 90 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.66 1y9a h TRP 90 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1y9a h TRP 90 CO 0.93 0.00 -0.25 0.41 -3.56 0.00 0.00 178.44 175.97 1y9a n GLY 91 N 0.05 -0.11 3.72 1.49 0.00 -1.26 -4.45 105.19 104.63 1y9a n GLY 91 Ca 0.01 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1y9a n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y9a s GLU 92 N -2.35 1.69 0.20 1.61 0.41 -0.99 -4.77 118.70 114.51 1y9a s GLU 92 Ca 0.25 1.44 -0.12 0.00 -0.41 0.00 0.00 54.97 56.13 1y9a s GLU 92 Cb 0.19 -1.81 0.24 0.00 -1.78 0.00 0.00 34.13 30.98 1y9a s GLU 92 CO 0.48 -2.11 1.67 1.49 -0.49 0.00 0.00 175.26 176.29 1y9a h GLU 93 N -1.29 0.09 -0.19 1.61 4.81 -1.93 -1.82 114.58 115.86 1y9a h GLU 93 Ca -0.44 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.71 1y9a h GLU 93 Cb 1.26 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1y9a h GLU 93 CO 0.47 0.06 -0.21 0.93 -0.73 0.00 0.00 179.01 179.53 1y9a h GLU 94 N 0.10 0.33 -0.55 1.92 3.07 -1.85 -1.81 114.58 115.79 1y9a h GLU 94 Ca 0.29 -0.10 -0.07 0.00 -0.50 0.00 0.00 59.36 58.97 1y9a h GLU 94 Cb 0.46 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1y9a h GLU 94 CO -0.50 0.53 0.05 0.77 -1.40 0.00 0.00 179.01 178.46 1y9a h SER 95 N 0.30 0.91 0.62 1.42 0.02 -1.45 0.23 113.55 115.60 1y9a h SER 95 Ca 0.05 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1y9a h SER 95 Cb 0.55 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1y9a h SER 95 CO 0.04 0.96 -0.10 1.56 -1.14 0.00 0.00 176.83 178.15 1y9a h GLN 96 N 0.82 0.00 -0.17 3.45 4.20 -0.66 -2.57 115.11 120.18 1y9a h GLN 96 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1y9a h GLN 96 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1y9a h GLN 96 CO 0.02 0.10 0.00 -2.13 -0.67 0.00 0.00 178.83 176.15 1y9a n ARG 97 N -3.38 1.95 -0.50 1.46 0.63 -0.85 -4.95 116.66 111.02 1y9a n ARG 97 Ca -0.01 -1.42 0.00 0.00 -0.92 0.00 0.00 57.85 55.50 1y9a n ARG 97 Cb 0.28 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1y9a n ARG 97 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1y9a n GLY 98 N 1.24 0.73 2.37 5.14 0.00 -0.97 -5.01 105.19 108.70 1y9a n GLY 98 Ca 0.17 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1y9a n GLY 98 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1y9a n TYR 99 N -2.50 1.74 0.30 1.61 4.02 0.79 -4.95 117.16 118.16 1y9a n TYR 99 Ca 0.00 -3.87 0.20 0.00 -0.01 0.00 0.00 57.90 54.22 1y9a n TYR 99 Cb 0.00 -0.45 0.90 0.00 -0.02 0.00 0.00 39.34 39.76 1y9a n TYR 99 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1y9a h PRO 100 N 3.78 0.00 0.00 -0.72 0.13 -1.80 -1.57 132.00 131.82 1y9a h PRO 100 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1y9a h PRO 100 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1y9a h PRO 100 CO 0.65 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 1y9a n MET 101 N -3.08 0.16 -0.90 0.86 0.00 -1.26 -2.08 117.12 110.81 1y9a n MET 101 Ca -0.01 0.39 -0.09 0.00 0.00 0.00 0.00 57.70 57.99 1y9a n MET 101 Cb 0.21 -1.80 0.20 0.00 0.00 0.00 0.00 33.22 31.84 1y9a n MET 101 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1y9a n HIS 102 N -2.09 1.59 -1.87 3.17 8.25 -0.59 -0.65 115.22 123.04 1y9a n HIS 102 Ca 0.02 -1.62 -0.42 0.00 -0.26 0.00 0.00 57.72 55.44 1y9a n HIS 102 Cb 0.22 -0.60 -0.03 0.00 1.12 0.00 0.00 29.99 30.70 1y9a n HIS 102 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1y9a s SER 103 N -2.18 6.54 0.00 0.41 1.04 -0.88 -1.19 113.70 117.43 1y9a s SER 103 Ca 0.48 2.37 0.00 0.00 0.48 0.00 0.00 55.95 59.28 1y9a s SER 103 Cb 0.42 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 64.01 1y9a s SER 103 CO 0.03 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1y9a n GLY 104 N 4.36 0.80 0.00 7.32 0.00 -1.26 -3.52 105.19 112.88 1y9a n GLY 104 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1y9a n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y9a n GLY 105 N -2.22 2.88 3.69 -0.02 0.00 -0.34 -4.91 105.19 104.27 1y9a n GLY 105 Ca 0.00 -1.80 -0.44 0.00 0.00 0.00 0.00 46.02 43.78 1y9a n GLY 105 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1y9a n MET 106 N -1.90 2.59 -1.07 1.61 1.56 -1.26 -0.37 117.12 118.28 1y9a n MET 106 Ca 0.00 0.94 -0.02 0.00 -0.27 0.00 0.00 57.70 58.35 1y9a n MET 106 Cb 0.00 -2.80 -0.01 0.00 2.15 0.00 0.00 33.22 32.56 1y9a n MET 106 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1y9a n LEU 107 N 5.25 0.31 0.28 -0.89 4.77 -1.26 -4.92 117.00 120.54 1y9a n LEU 107 Ca 0.18 0.06 0.18 0.00 -0.03 0.00 0.00 56.01 56.40 1y9a n LEU 107 Cb 0.34 -1.75 0.74 0.00 -2.33 0.00 0.00 43.42 40.42 1y9a n LEU 107 CO 0.66 -0.62 1.01 1.23 -1.33 0.00 0.00 177.39 178.35 1y9a h GLY 108 N 0.00 0.00 2.00 -0.72 0.00 -0.69 -1.59 103.07 102.07 1y9a h GLY 108 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1y9a h GLY 108 CO 0.07 0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 175.17 1y9a h GLY 109 N 1.85 0.00 -7.29 4.60 0.00 -0.92 -3.40 103.07 97.91 1y9a h GLY 109 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1y9a h GLY 109 CO 0.00 0.00 0.91 0.86 0.00 0.00 0.00 176.54 178.31 1y9a s TRP 110 N -3.35 2.65 -0.19 5.60 -0.00 -0.60 -0.69 118.94 122.36 1y9a s TRP 110 Ca 0.04 -0.68 -0.17 0.00 -0.00 0.00 0.00 56.10 55.30 1y9a s TRP 110 Cb 0.07 -4.45 -0.07 0.00 -0.00 0.00 0.00 33.47 29.03 1y9a s TRP 110 CO 0.65 -1.77 -0.33 1.63 -0.00 0.00 0.00 176.95 177.12 1y9a n LYS 111 N 8.08 0.53 -1.58 5.86 5.02 -1.26 -4.47 118.16 130.34 1y9a n LYS 111 Ca 0.11 0.25 -0.54 0.00 -2.02 0.00 0.00 58.31 56.10 1y9a n LYS 111 Cb 0.48 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1y9a n LYS 111 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1y9a n PHE 112 N -4.45 1.87 -0.92 2.13 3.72 -1.26 -1.25 117.46 117.30 1y9a n PHE 112 Ca -0.19 0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1y9a n PHE 112 Cb 0.55 -2.50 0.00 0.00 -0.94 0.00 0.00 39.48 36.59 1y9a n PHE 112 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1y9a n SER 113 N 7.35 -4.13 0.00 4.37 3.41 0.16 -4.60 113.62 120.17 1y9a n SER 113 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1y9a n SER 113 Cb 0.17 -2.52 0.00 0.00 -0.26 0.00 0.00 64.21 61.60 1y9a n SER 113 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1y9a n ASN 114 N -0.58 0.00 0.00 4.04 5.15 -0.38 -4.91 115.26 118.58 1y9a n ASN 114 Ca 0.00 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1y9a n ASN 114 Cb 0.29 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 1y9a n ASN 114 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1y9a n PHE 115 N -2.09 0.00 -4.50 1.20 1.16 -0.82 -5.02 117.46 107.39 1y9a n PHE 115 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.27 1y9a n PHE 115 Cb 0.00 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 37.76 1y9a n PHE 115 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1y9a s LYS 116 N -0.13 2.34 0.03 3.97 2.20 -0.38 -5.04 119.74 122.74 1y9a s LYS 116 Ca 0.00 -0.84 -0.35 0.00 -0.36 0.00 0.00 55.97 54.41 1y9a s LYS 116 Cb 0.00 -2.37 -0.14 0.00 -1.51 0.00 0.00 37.83 33.80 1y9a s LYS 116 CO 0.00 0.57 1.60 -0.25 -0.36 0.00 0.00 175.35 176.91 1y9a n ASP 117 N 1.44 2.68 -2.28 1.43 8.00 -1.26 -0.67 116.55 125.90 1y9a n ASP 117 Ca -0.15 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.42 1y9a n ASP 117 Cb 0.52 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 1y9a n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y9a n GLY 118 N 3.47 1.07 0.47 0.44 0.00 0.62 -4.61 105.19 106.65 1y9a n GLY 118 Ca 0.20 -1.60 0.11 0.00 0.00 0.00 0.00 46.02 44.73 1y9a n GLY 118 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1y9a n VAL 119 N 0.00 0.00 -1.46 1.61 0.24 -0.66 -4.59 118.33 113.47 1y9a n VAL 119 Ca 0.00 -0.24 -0.32 0.00 -2.04 0.00 0.00 64.34 61.73 1y9a n VAL 119 Cb 0.00 1.12 -0.05 0.00 -1.47 0.00 0.00 33.84 33.43 1y9a n VAL 119 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1y9a n PHE 120 N -0.08 1.88 -3.96 6.34 3.72 -0.62 -4.82 117.46 119.92 1y9a n PHE 120 Ca 0.10 -2.55 -0.09 0.00 -0.05 0.00 0.00 57.45 54.85 1y9a n PHE 120 Cb 0.45 -1.99 -0.06 0.00 -0.94 0.00 0.00 39.48 36.95 1y9a n PHE 120 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1y9a s SER 121 N 1.40 -0.08 0.33 4.37 1.04 -1.26 -1.46 113.70 118.04 1y9a s SER 121 Ca 0.64 -0.87 0.07 0.00 0.48 0.00 0.00 55.95 56.27 1y9a s SER 121 Cb 0.24 0.55 0.57 0.00 0.10 0.00 0.00 66.02 67.47 1y9a s SER 121 CO -0.08 -1.07 1.78 -0.33 0.98 0.00 0.00 173.24 174.53 1y9a h GLU 122 N 2.32 0.26 -3.99 4.02 5.08 -1.82 -3.41 114.58 117.05 1y9a h GLU 122 Ca -0.28 -0.10 -0.27 0.00 -1.00 0.00 0.00 59.36 57.71 1y9a h GLU 122 Cb 1.25 -0.02 -0.28 0.00 0.50 0.00 0.00 28.75 30.20 1y9a h GLU 122 CO 0.39 0.54 -0.74 0.08 -1.00 0.00 0.00 179.01 178.28 1y9a s VAL 123 N -4.39 0.18 0.26 3.13 1.01 -1.26 -4.27 120.40 115.07 1y9a s VAL 123 Ca -0.05 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1y9a s VAL 123 Cb 0.14 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.31 1y9a s VAL 123 CO 0.76 0.05 0.07 0.72 0.00 0.00 0.00 175.10 176.70 1y9a s PHE 124 N -0.04 1.59 -0.07 5.22 -0.12 0.16 -4.88 117.98 119.84 1y9a s PHE 124 Ca 0.01 -1.10 0.01 0.00 -0.05 0.00 0.00 56.93 55.80 1y9a s PHE 124 Cb -0.01 -0.95 -0.03 0.00 -0.63 0.00 0.00 43.02 41.40 1y9a s PHE 124 CO -0.00 -0.23 -0.10 -1.58 -0.05 0.00 0.00 175.22 173.26 1y9a s HIS 125 N -3.63 2.86 -0.11 3.49 5.65 -1.26 -1.21 115.29 121.08 1y9a s HIS 125 Ca 0.36 -0.09 0.01 0.00 0.25 0.00 0.00 55.06 55.59 1y9a s HIS 125 Cb 0.08 -1.70 0.02 0.00 -1.18 0.00 0.00 32.58 29.79 1y9a s HIS 125 CO 0.13 0.24 -0.13 0.08 -0.65 0.00 0.00 174.74 174.41 1y9a s VAL 126 N -0.67 1.34 0.44 0.89 1.01 0.04 -5.01 120.40 118.44 1y9a s VAL 126 Ca 0.10 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 1y9a s VAL 126 Cb -0.11 -1.26 -0.09 0.00 0.00 0.00 0.00 36.38 34.91 1y9a s VAL 126 CO 0.01 0.41 1.01 0.54 0.00 0.00 0.00 175.10 177.08 1y9a s ASN 127 N 1.22 6.65 -1.12 3.32 4.22 -1.26 -1.60 114.94 126.37 1y9a s ASN 127 Ca -0.03 1.89 -0.25 0.00 -2.14 0.00 0.00 52.86 52.33 1y9a s ASN 127 Cb -0.14 -2.56 0.02 0.00 1.28 0.00 0.00 41.25 39.85 1y9a s ASN 127 CO -0.04 -0.56 0.71 -0.62 -2.04 0.00 0.00 177.10 174.54 1y9a n GLU 128 N -0.59 -0.74 -0.05 3.55 1.02 -1.20 -4.61 120.64 118.02 1y9a n GLU 128 Ca 0.07 0.33 -0.05 0.00 -0.02 0.00 0.00 57.16 57.49 1y9a n GLU 128 Cb 0.52 -3.06 0.16 0.00 -0.02 0.00 0.00 31.44 29.04 1y9a n GLU 128 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y9a h ALA 129 N 1.32 1.04 -0.79 0.62 0.00 -1.35 0.91 119.26 121.02 1y9a h ALA 129 Ca -0.67 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 53.93 1y9a h ALA 129 Cb 1.38 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1y9a h ALA 129 CO 0.48 0.58 0.52 -0.44 0.00 0.00 0.00 179.25 180.39 1y9a h ASP 130 N 0.60 0.89 1.12 0.00 3.32 -1.89 -1.36 116.42 119.09 1y9a h ASP 130 Ca 0.10 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.95 1y9a h ASP 130 Cb 0.61 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1y9a h ASP 130 CO 0.04 0.63 -0.90 0.00 -1.72 0.00 0.00 179.24 177.29 1y9a h ALA 131 N 1.52 0.50 -0.01 3.45 0.00 -1.64 -3.39 119.26 119.70 1y9a h ALA 131 Ca 0.29 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1y9a h ALA 131 Cb -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1y9a h ALA 131 CO -0.07 1.05 -0.31 0.09 0.00 0.00 0.00 179.25 180.01 1y9a n ASN 132 N -3.27 1.54 -4.17 0.00 3.02 0.22 -1.11 115.26 111.48 1y9a n ASN 132 Ca -0.01 -1.27 -0.30 0.00 -0.03 0.00 0.00 54.58 52.97 1y9a n ASN 132 Cb 0.87 0.47 -0.17 0.00 -0.61 0.00 0.00 39.78 40.34 1y9a n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1y9a s LEU 133 N -1.94 1.98 -0.12 3.41 1.43 -0.55 -3.95 118.68 118.95 1y9a s LEU 133 Ca 0.12 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1y9a s LEU 133 Cb 0.12 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 1y9a s LEU 133 CO 0.37 0.13 0.16 0.00 0.23 0.00 0.00 176.35 177.24 1y9a s ALA 134 N 0.42 3.84 0.35 4.21 0.00 -1.17 -4.76 121.76 124.66 1y9a s ALA 134 Ca -0.18 -0.62 -0.28 0.00 0.00 0.00 0.00 51.96 50.88 1y9a s ALA 134 Cb -0.17 -2.03 -0.11 0.00 0.00 0.00 0.00 23.12 20.81 1y9a s ALA 134 CO 0.08 0.54 1.42 -0.51 0.00 0.00 0.00 175.76 177.29 1y9a s LEU 135 N -0.83 4.36 -0.21 0.00 1.43 -1.26 -0.18 118.68 121.99 1y9a s LEU 135 Ca 0.15 2.89 -0.29 0.00 -1.03 0.00 0.00 54.13 55.85 1y9a s LEU 135 Cb -0.12 -3.66 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 1y9a s LEU 135 CO 0.04 -0.73 1.37 -0.22 0.23 0.00 0.00 176.35 177.03 1y9a s LEU 136 N -1.90 4.05 0.44 1.79 2.96 -0.39 -4.66 118.68 120.98 1y9a s LEU 136 Ca 0.52 1.57 -0.25 0.00 -0.22 0.00 0.00 54.13 55.75 1y9a s LEU 136 Cb -0.44 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.62 1y9a s LEU 136 CO 0.58 -0.96 1.27 -2.65 -1.32 0.00 0.00 176.35 173.27 1y9a n PRO 137 N 7.05 1.88 0.31 0.98 -0.02 -1.26 -4.87 135.00 139.07 1y9a n PRO 137 Ca 0.15 0.67 0.21 0.00 -2.02 0.00 0.00 63.50 62.51 1y9a n PRO 137 Cb 0.45 -2.39 1.00 0.00 -0.02 0.00 0.00 33.50 32.55 1y9a n PRO 137 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y9a h ARG 138 N 1.99 0.00 -0.52 -0.52 2.47 -2.01 -2.31 114.38 113.48 1y9a h ARG 138 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1y9a h ARG 138 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1y9a h ARG 138 CO 0.59 0.00 0.00 -0.40 0.56 0.00 0.00 179.97 180.72 1y9a n ASP 139 N -3.09 2.81 -4.16 7.04 5.75 -1.26 -4.85 116.55 118.79 1y9a n ASP 139 Ca -0.02 -2.03 -0.30 0.00 -0.01 0.00 0.00 54.79 52.44 1y9a n ASP 139 Cb 0.17 -0.36 -0.17 0.00 -1.03 0.00 0.00 41.12 39.73 1y9a n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1y9a s ILE 140 N -1.35 1.79 0.28 2.12 1.01 -0.87 -4.88 121.20 119.30 1y9a s ILE 140 Ca 0.35 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 1y9a s ILE 140 Cb 0.18 -1.57 -0.10 0.00 0.01 0.00 0.00 42.46 40.99 1y9a s ILE 140 CO 0.23 0.50 1.37 -0.54 0.00 0.00 0.00 174.94 176.49 1y9a s LYS 141 N 0.45 4.32 0.29 2.79 1.02 -1.26 -4.83 119.74 122.52 1y9a s LYS 141 Ca -0.17 2.24 0.02 0.00 0.02 0.00 0.00 55.97 58.07 1y9a s LYS 141 Cb -0.17 -3.10 0.71 0.00 -0.52 0.00 0.00 37.83 34.74 1y9a s LYS 141 CO 0.07 -0.30 1.63 -1.35 -0.92 0.00 0.00 175.35 174.49 1y9a h PRO 142 N 4.34 0.16 -0.22 -1.68 0.11 -1.99 -1.75 132.00 130.97 1y9a h PRO 142 Ca -0.47 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1y9a h PRO 142 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1y9a h PRO 142 CO 0.72 0.11 -0.30 0.93 -0.21 0.00 0.00 178.00 179.25 1y9a h GLU 143 N 0.16 0.43 -0.65 1.05 5.08 -1.96 -1.16 114.58 117.54 1y9a h GLU 143 Ca 0.55 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 1y9a h GLU 143 Cb 1.12 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1y9a h GLU 143 CO -0.69 0.69 0.33 -0.44 -1.00 0.00 0.00 179.01 177.90 1y9a h ASP 144 N 0.38 0.83 0.61 1.42 5.19 -1.75 -3.07 116.42 120.03 1y9a h ASP 144 Ca 0.05 -0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.28 1y9a h ASP 144 Cb 0.71 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1y9a h ASP 144 CO 0.05 0.70 -0.32 0.00 -3.12 0.00 0.00 179.24 176.56 1y9a h ALA 145 N 1.16 1.16 0.00 3.45 0.00 -0.84 -2.82 119.26 121.37 1y9a h ALA 145 Ca 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1y9a h ALA 145 Cb 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1y9a h ALA 145 CO -0.03 0.39 -0.11 0.28 0.00 0.00 0.00 179.25 179.78 1y9a h VAL 146 N 0.00 0.84 0.00 0.00 2.07 -1.12 -0.35 116.25 117.69 1y9a h VAL 146 Ca -0.00 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1y9a h VAL 146 Cb 0.71 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1y9a h VAL 146 CO 0.04 0.10 -0.02 0.24 0.02 0.00 0.00 177.57 177.96 1y9a h MET 147 N 0.00 0.00 -0.03 1.57 2.86 -1.58 -2.90 114.93 114.85 1y9a h MET 147 Ca -0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1y9a h MET 147 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1y9a h MET 147 CO 0.01 0.02 -0.52 -0.07 1.06 0.00 0.00 176.91 177.41 1y9a h LEU 148 N 0.00 0.10 -1.46 1.22 3.38 -1.18 -0.62 115.31 116.75 1y9a h LEU 148 Ca -0.00 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1y9a h LEU 148 Cb 0.45 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1y9a h LEU 148 CO 0.00 0.60 0.42 0.28 0.09 0.00 0.00 178.44 179.83 1y9a h SER 149 N 0.07 0.60 0.00 -0.43 0.02 -1.59 -3.31 113.55 108.91 1y9a h SER 149 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1y9a h SER 149 Cb 0.94 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1y9a h SER 149 CO 0.07 0.40 0.00 -0.67 -1.14 0.00 0.00 176.83 175.49 1y9a n ASP 150 N -4.47 0.00 0.01 3.07 2.03 -1.25 -1.76 116.55 114.18 1y9a n ASP 150 Ca 0.08 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.27 1y9a n ASP 150 Cb 0.18 0.12 -0.09 0.00 -0.72 0.00 0.00 41.12 40.61 1y9a n ASP 150 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y9a h MET 151 N 0.00 0.01 -0.12 -0.67 2.86 -1.68 -0.11 114.93 115.22 1y9a h MET 151 Ca 0.00 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1y9a h MET 151 Cb 0.00 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1y9a h MET 151 CO 0.00 0.29 -0.03 0.28 1.06 0.00 0.00 176.91 178.51 1y9a h VAL 152 N -0.28 1.29 -0.56 -2.22 2.07 -1.33 -1.45 116.25 113.77 1y9a h VAL 152 Ca 0.00 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 1y9a h VAL 152 Cb 0.29 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1y9a h VAL 152 CO 0.00 0.27 0.08 0.00 0.02 0.00 0.00 177.57 177.95 1y9a h THR 153 N -0.09 1.26 -0.09 2.57 1.03 -1.63 0.90 112.91 116.86 1y9a h THR 153 Ca 0.03 -0.98 -0.03 0.00 -0.01 0.00 0.00 66.41 65.42 1y9a h THR 153 Cb 0.44 0.81 -0.00 0.00 -1.07 0.00 0.00 68.15 68.32 1y9a h THR 153 CO 0.01 0.36 -0.07 0.74 -0.01 0.00 0.00 175.52 176.55 1y9a h THR 154 N 0.82 1.35 -0.43 0.00 2.02 -1.07 0.09 112.91 115.69 1y9a h THR 154 Ca 0.17 -1.18 0.04 0.00 0.77 0.00 0.00 66.41 66.21 1y9a h THR 154 Cb 0.42 1.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.74 1y9a h THR 154 CO 0.01 0.33 0.21 1.23 0.37 0.00 0.00 175.52 177.67 1y9a h GLY 155 N -0.20 0.59 1.10 2.16 0.00 -1.19 -1.54 103.07 104.00 1y9a h GLY 155 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1y9a h GLY 155 CO 0.02 0.10 0.20 0.74 0.00 0.00 0.00 176.54 177.60 1y9a h PHE 156 N 0.43 1.17 -0.70 5.60 -1.00 -0.83 -2.42 116.94 119.19 1y9a h PHE 156 Ca 0.19 -0.12 0.05 0.00 2.81 0.00 0.00 57.97 60.89 1y9a h PHE 156 Cb 0.10 -0.33 -0.04 0.00 3.61 0.00 0.00 35.95 39.28 1y9a h PHE 156 CO -0.11 0.93 0.46 1.25 -1.61 0.00 0.00 178.31 179.24 1y9a h HIS 157 N 1.07 0.78 -0.84 -0.55 2.76 -0.33 -0.14 115.15 117.91 1y9a h HIS 157 Ca 0.23 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.53 1y9a h HIS 157 Cb 0.33 -0.26 -0.08 0.00 1.55 0.00 0.00 27.41 28.95 1y9a h HIS 157 CO 0.03 0.44 0.47 0.78 -1.30 0.00 0.00 177.93 178.35 1y9a h GLY 158 N 0.79 1.32 1.66 5.26 0.00 -0.80 0.26 103.07 111.57 1y9a h GLY 158 Ca 0.29 -0.31 -0.18 0.00 0.00 0.00 0.00 47.33 47.13 1y9a h GLY 158 CO -0.09 0.10 -0.75 0.00 0.00 0.00 0.00 176.54 175.80 1y9a h ALA 159 N 1.48 0.61 -0.29 3.60 0.00 -1.14 -1.14 119.26 122.39 1y9a h ALA 159 Ca 0.42 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1y9a h ALA 159 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1y9a h ALA 159 CO -0.27 0.79 0.10 0.93 0.00 0.00 0.00 179.25 180.80 1y9a h GLU 160 N 0.22 0.44 -0.05 0.00 5.08 -0.45 -2.89 114.58 116.94 1y9a h GLU 160 Ca -0.03 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1y9a h GLU 160 Cb 1.33 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1y9a h GLU 160 CO 0.12 0.49 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.31 1y9a h LEU 161 N 0.31 0.08 0.00 1.33 3.38 -0.36 -1.36 115.31 118.68 1y9a h LEU 161 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1y9a h LEU 161 Cb 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1y9a h LEU 161 CO -0.00 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.85 1y9a n ALA 162 N -2.49 2.45 -3.67 1.53 0.00 -0.44 -4.37 120.51 113.52 1y9a n ALA 162 Ca -0.02 -0.16 -0.24 0.00 0.00 0.00 0.00 53.44 53.03 1y9a n ALA 162 Cb 0.32 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.39 1y9a n ALA 162 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1y9a n ASN 163 N -1.09 -4.28 -4.74 0.00 4.05 -0.51 -4.52 115.26 104.16 1y9a n ASN 163 Ca 0.18 -0.67 -0.41 0.00 0.45 0.00 0.00 54.58 54.13 1y9a n ASN 163 Cb 0.13 -4.57 -0.03 0.00 1.23 0.00 0.00 39.78 36.54 1y9a n ASN 163 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1y9a s ILE 164 N -3.38 3.19 0.31 -1.44 1.01 -1.23 -4.99 121.20 114.67 1y9a s ILE 164 Ca 0.40 1.00 0.10 0.00 0.00 0.00 0.00 60.65 62.15 1y9a s ILE 164 Cb -0.19 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1y9a s ILE 164 CO 0.77 0.16 -0.03 -0.54 0.00 0.00 0.00 174.94 175.30 1y9a s LYS 165 N -0.28 2.08 -0.00 2.79 -0.14 -1.26 -4.90 119.74 118.03 1y9a s LYS 165 Ca 0.56 -1.64 -0.34 0.00 -1.36 0.00 0.00 55.97 53.18 1y9a s LYS 165 Cb -0.37 -1.98 -0.13 0.00 -1.68 0.00 0.00 37.83 33.68 1y9a s LYS 165 CO 0.39 0.24 1.77 1.28 -0.76 0.00 0.00 175.35 178.27 1y9a n LEU 166 N -0.88 3.28 0.00 3.17 4.77 -1.26 -1.62 117.00 124.47 1y9a n LEU 166 Ca -0.05 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1y9a n LEU 166 Cb 0.61 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 1y9a n LEU 166 CO 0.41 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1y9a n GLY 167 N 4.03 0.83 3.72 -0.72 0.00 0.63 -4.97 105.19 108.71 1y9a n GLY 167 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1y9a n GLY 167 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y9a n ASP 168 N 0.00 2.71 -4.67 1.61 8.00 -0.64 -4.15 116.55 119.41 1y9a n ASP 168 Ca 0.00 1.09 -0.40 0.00 0.71 0.00 0.00 54.79 56.19 1y9a n ASP 168 Cb 0.00 -1.53 -0.05 0.00 -0.02 0.00 0.00 41.12 39.52 1y9a n ASP 168 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1y9a s THR 169 N -1.21 4.97 0.06 -3.53 2.01 -1.26 -1.38 115.64 115.30 1y9a s THR 169 Ca 0.62 1.39 0.08 0.00 0.31 0.00 0.00 61.69 64.09 1y9a s THR 169 Cb -0.48 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 67.97 1y9a s THR 169 CO 0.57 0.10 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.70 1y9a s VAL 170 N 1.84 1.70 -0.12 3.82 1.01 -0.53 -0.85 120.40 127.26 1y9a s VAL 170 Ca 0.34 -1.31 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1y9a s VAL 170 Cb -0.16 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1y9a s VAL 170 CO 0.12 0.13 -0.17 0.00 0.00 0.00 0.00 175.10 175.18 1y9a s VAL 172 N 0.36 3.94 -0.29 0.00 1.01 0.30 -0.46 120.40 125.24 1y9a s VAL 172 Ca -0.14 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 1y9a s VAL 172 Cb -0.17 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1y9a s VAL 172 CO 0.07 0.33 0.16 -0.63 0.00 0.00 0.00 175.10 175.03 1y9a s ILE 173 N 1.55 4.89 0.00 2.22 1.01 -0.04 -0.86 121.20 129.96 1y9a s ILE 173 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1y9a s ILE 173 Cb -0.15 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1y9a s ILE 173 CO 0.01 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1y9a n GLY 174 N 5.02 1.11 2.41 6.18 0.00 -0.42 -0.16 105.19 119.33 1y9a n GLY 174 Ca -0.14 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 1y9a n GLY 174 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1y9a n ILE 175 N 2.55 2.17 -0.38 -0.61 2.08 -1.25 -3.95 119.36 119.97 1y9a n ILE 175 Ca 0.00 -4.41 0.00 0.00 0.56 0.00 0.00 62.75 58.90 1y9a n ILE 175 Cb 0.00 -0.84 0.00 0.00 -0.75 0.00 0.00 39.64 38.05 1y9a n ILE 175 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1y9a n GLY 176 N -0.49 -2.19 0.35 7.39 0.00 -1.26 -4.62 105.19 104.37 1y9a n GLY 176 Ca 0.35 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.88 1y9a n GLY 176 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y9a h PRO 177 N 0.00 1.08 -0.40 1.61 0.13 -1.95 0.66 132.00 133.14 1y9a h PRO 177 Ca 0.00 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 1y9a h PRO 177 Cb 0.00 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 30.90 1y9a h PRO 177 CO 0.00 0.79 0.17 0.28 -0.23 0.00 0.00 178.00 179.01 1y9a h VAL 178 N 1.09 1.19 -0.67 1.56 2.07 -1.88 -2.24 116.25 117.37 1y9a h VAL 178 Ca 0.28 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1y9a h VAL 178 Cb 0.02 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1y9a h VAL 178 CO -0.04 0.21 0.44 1.23 0.02 0.00 0.00 177.57 179.42 1y9a h GLY 179 N 0.50 0.94 1.31 2.17 0.00 -1.49 0.20 103.07 106.70 1y9a h GLY 179 Ca 0.13 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 1y9a h GLY 179 CO -0.01 0.35 -0.10 1.41 0.00 0.00 0.00 176.54 178.19 1y9a h LEU 180 N 0.91 0.81 -0.82 3.11 3.38 -0.66 -0.02 115.31 122.02 1y9a h LEU 180 Ca 0.24 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1y9a h LEU 180 Cb -0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1y9a h LEU 180 CO -0.05 0.93 -0.43 0.24 0.09 0.00 0.00 178.44 179.21 1y9a h MET 181 N 0.74 0.00 -0.53 1.13 2.86 -0.72 -1.41 114.93 117.00 1y9a h MET 181 Ca 0.13 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 1y9a h MET 181 Cb 0.59 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1y9a h MET 181 CO 0.04 0.43 -0.04 0.77 1.06 0.00 0.00 176.91 179.17 1y9a h SER 182 N 0.00 0.92 -0.18 1.22 0.02 0.17 0.18 113.55 115.89 1y9a h SER 182 Ca -0.00 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1y9a h SER 182 Cb 0.98 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1y9a h SER 182 CO 0.06 1.00 0.07 0.58 -1.14 0.00 0.00 176.83 177.40 1y9a h VAL 183 N 0.86 1.16 -0.81 2.27 2.07 -0.76 -0.66 116.25 120.38 1y9a h VAL 183 Ca 0.15 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1y9a h VAL 183 Cb 0.56 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1y9a h VAL 183 CO 0.03 0.15 0.47 0.00 0.02 0.00 0.00 177.57 178.24 1y9a h ALA 184 N 0.92 1.03 -0.37 1.67 0.00 -1.17 -1.16 119.26 120.18 1y9a h ALA 184 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1y9a h ALA 184 Cb 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1y9a h ALA 184 CO -0.01 0.51 0.20 0.78 0.00 0.00 0.00 179.25 180.74 1y9a h GLY 185 N 1.11 0.55 1.02 0.00 0.00 -0.45 -0.05 103.07 105.24 1y9a h GLY 185 Ca 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1y9a h GLY 185 CO -0.05 0.24 0.59 0.00 0.00 0.00 0.00 176.54 177.31 1y9a h ALA 186 N 1.07 1.21 -0.59 3.60 0.00 -0.94 0.27 119.26 123.87 1y9a h ALA 186 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1y9a h ALA 186 Cb 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1y9a h ALA 186 CO -0.02 0.64 0.27 -0.97 0.00 0.00 0.00 179.25 179.17 1y9a h ASN 187 N 1.30 0.78 0.72 0.00 -0.00 -0.88 -1.04 115.58 116.47 1y9a h ASN 187 Ca 0.34 -0.14 0.00 0.00 -0.00 0.00 0.00 56.30 56.50 1y9a h ASN 187 Cb -0.08 -0.20 0.00 0.00 -0.00 0.00 0.00 38.32 38.04 1y9a h ASN 187 CO -0.07 0.71 0.00 1.41 -0.00 0.00 0.00 177.43 179.48 1y9a n HIS 188 N -4.51 0.00 0.59 0.67 8.25 -0.06 -2.12 115.22 118.04 1y9a n HIS 188 Ca 0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 1y9a n HIS 188 Cb 0.14 -0.48 0.16 0.00 1.12 0.00 0.00 29.99 30.92 1y9a n HIS 188 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y9a n LEU 189 N -1.48 3.21 0.00 2.41 4.77 0.01 -4.97 117.00 120.95 1y9a n LEU 189 Ca 0.06 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 1y9a n LEU 189 Cb 0.25 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1y9a n LEU 189 CO 0.20 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1y9a n GLY 190 N 1.39 1.12 3.76 -0.72 0.00 -0.86 -4.03 105.19 105.84 1y9a n GLY 190 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1y9a n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y9a s ALA 191 N -2.00 3.04 0.00 4.61 0.00 -0.46 -0.27 121.76 126.69 1y9a s ALA 191 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1y9a s ALA 191 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1y9a s ALA 191 CO 0.00 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 174.98 1y9a n GLY 192 N 0.64 1.00 3.71 0.00 0.00 -0.48 -4.74 105.19 105.32 1y9a n GLY 192 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1y9a n GLY 192 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y9a s ARG 193 N 0.39 4.26 -0.10 1.61 3.52 -1.25 -4.82 118.95 122.55 1y9a s ARG 193 Ca 0.00 2.22 -0.01 0.00 -0.13 0.00 0.00 55.73 57.81 1y9a s ARG 193 Cb 0.00 -3.27 0.03 0.00 -1.56 0.00 0.00 34.95 30.15 1y9a s ARG 193 CO 0.00 -0.55 -0.03 0.42 -0.81 0.00 0.00 175.30 174.33 1y9a s ILE 194 N 1.37 0.69 -0.11 4.11 1.01 -1.26 -1.46 121.20 125.56 1y9a s ILE 194 Ca 0.68 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.99 1y9a s ILE 194 Cb -0.40 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1y9a s ILE 194 CO 0.31 0.26 0.59 -0.36 0.00 0.00 0.00 174.94 175.73 1y9a s PHE 195 N 1.84 3.52 -0.18 3.97 0.40 0.11 -0.62 117.98 127.02 1y9a s PHE 195 Ca 0.04 1.03 -0.04 0.00 -0.60 0.00 0.00 56.93 57.37 1y9a s PHE 195 Cb -0.13 -2.69 -0.02 0.00 0.51 0.00 0.00 43.02 40.69 1y9a s PHE 195 CO -0.07 0.08 -0.03 0.00 0.70 0.00 0.00 175.22 175.91 1y9a s ALA 196 N 0.89 2.95 -0.25 5.36 0.00 -0.19 -0.54 121.76 129.98 1y9a s ALA 196 Ca 0.31 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 1y9a s ALA 196 Cb -0.16 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1y9a s ALA 196 CO 0.13 -0.02 -0.02 0.08 0.00 0.00 0.00 175.76 175.94 1y9a s VAL 197 N 0.78 3.41 0.22 0.00 1.01 -0.04 -1.25 120.40 124.51 1y9a s VAL 197 Ca -0.01 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.39 1y9a s VAL 197 Cb -0.14 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1y9a s VAL 197 CO 0.02 0.28 -0.17 -0.83 0.00 0.00 0.00 175.10 174.40 1y9a s GLY 198 N 1.45 1.54 0.10 4.51 0.00 -0.97 -1.30 107.32 112.63 1y9a s GLY 198 Ca 0.04 -1.68 -0.09 0.00 0.00 0.00 0.00 44.72 42.99 1y9a s GLY 198 CO -0.02 -1.77 1.22 1.76 0.00 0.00 0.00 173.10 174.30 1y9a h SER 199 N 2.63 0.69 0.00 1.64 0.02 -1.97 -2.33 113.55 114.23 1y9a h SER 199 Ca -0.39 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 59.97 1y9a h SER 199 Cb 1.23 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1y9a h SER 199 CO 0.59 1.39 0.00 -1.14 -1.14 0.00 0.00 176.83 176.53 1y9a n ARG 200 N -3.77 2.01 0.10 3.45 3.00 -1.26 -4.55 116.66 115.64 1y9a n ARG 200 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1y9a n ARG 200 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.35 1y9a n ARG 200 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1y9a n LYS 201 N 0.00 0.00 -0.19 -0.14 4.76 -1.26 -4.80 118.16 116.53 1y9a n LYS 201 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1y9a n LYS 201 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 1y9a n LYS 201 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1y9a n HIS 202 N -3.09 -0.17 -0.52 2.13 -0.00 -1.26 -0.41 115.22 111.90 1y9a n HIS 202 Ca 0.00 0.56 0.10 0.00 -0.00 0.00 0.00 57.72 58.38 1y9a n HIS 202 Cb 0.00 -0.55 0.34 0.00 -0.00 0.00 0.00 29.99 29.78 1y9a n HIS 202 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1y9a h ASP 205 N 0.00 0.70 0.11 0.00 3.32 -1.44 -2.46 116.42 116.65 1y9a h ASP 205 Ca -0.01 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1y9a h ASP 205 Cb 1.22 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 1y9a h ASP 205 CO 0.07 0.66 -0.08 -0.29 -1.72 0.00 0.00 179.24 177.87 1y9a h ILE 206 N 0.69 0.94 -0.72 0.35 2.10 -1.70 -1.71 117.51 117.46 1y9a h ILE 206 Ca 0.17 -0.30 0.07 0.00 1.08 0.00 0.00 64.86 65.88 1y9a h ILE 206 Cb 0.17 1.17 -0.05 0.00 -1.09 0.00 0.00 36.82 37.02 1y9a h ILE 206 CO -0.02 0.08 0.48 0.00 -1.08 0.00 0.00 178.15 177.61 1y9a h ALA 207 N 1.92 1.72 -0.19 0.18 0.00 -1.46 -0.16 119.26 121.28 1y9a h ALA 207 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1y9a h ALA 207 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1y9a h ALA 207 CO 0.01 0.16 -0.05 -0.07 0.00 0.00 0.00 179.25 179.31 1y9a h LEU 208 N 0.74 0.26 -1.61 0.00 3.38 -1.26 -1.56 115.31 115.26 1y9a h LEU 208 Ca 0.31 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1y9a h LEU 208 Cb 0.28 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1y9a h LEU 208 CO -0.11 0.35 -0.09 -0.33 0.09 0.00 0.00 178.44 178.36 1y9a h GLU 209 N 0.27 0.00 -0.44 1.13 5.08 -1.09 -2.66 114.58 116.88 1y9a h GLU 209 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1y9a h GLU 209 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1y9a h GLU 209 CO 0.01 0.09 0.00 0.66 -1.00 0.00 0.00 179.01 178.77 1y9a n TYR 210 N -3.29 0.57 0.00 4.33 4.01 -0.84 -4.94 117.16 117.00 1y9a n TYR 210 Ca -0.00 -0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 1y9a n TYR 210 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1y9a n TYR 210 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1y9a n GLY 211 N 1.50 0.89 3.77 2.72 0.00 -1.00 -3.73 105.19 109.32 1y9a n GLY 211 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1y9a n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y9a s ALA 212 N -2.00 2.91 -0.03 4.61 0.00 -0.65 -4.56 121.76 122.04 1y9a s ALA 212 Ca 0.00 1.02 0.07 0.00 0.00 0.00 0.00 51.96 53.05 1y9a s ALA 212 Cb 0.00 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.59 1y9a s ALA 212 CO 0.00 -0.84 0.11 0.25 0.00 0.00 0.00 175.76 175.28 1y9a n THR 213 N -0.68 0.19 -3.80 0.00 -2.24 0.21 -4.41 114.28 103.55 1y9a n THR 213 Ca 0.08 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 1y9a n THR 213 Cb 0.48 -0.13 -0.15 0.00 -2.10 0.00 0.00 70.33 68.43 1y9a n THR 213 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1y9a s ASP 214 N -3.27 0.01 -0.10 3.42 1.11 -0.91 -4.97 116.67 111.96 1y9a s ASP 214 Ca -0.03 0.08 -0.02 0.00 0.18 0.00 0.00 52.55 52.76 1y9a s ASP 214 Cb 0.04 0.01 -0.03 0.00 1.07 0.00 0.00 42.92 44.01 1y9a s ASP 214 CO 0.30 -0.09 -0.01 -0.63 1.18 0.00 0.00 175.17 175.93 1y9a s ILE 215 N 0.70 4.23 -0.13 0.77 -1.09 -1.26 -1.02 121.20 123.39 1y9a s ILE 215 Ca -0.06 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 1y9a s ILE 215 Cb -0.08 -2.79 0.02 0.00 -1.58 0.00 0.00 42.46 38.03 1y9a s ILE 215 CO -0.02 0.59 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.50 1y9a s ILE 216 N -0.69 1.50 -0.27 2.92 -1.09 -0.38 -4.93 121.20 118.26 1y9a s ILE 216 Ca 0.11 -0.61 -0.13 0.00 -2.23 0.00 0.00 60.65 57.79 1y9a s ILE 216 Cb -0.12 -1.40 -0.04 0.00 -1.58 0.00 0.00 42.46 39.32 1y9a s ILE 216 CO 0.02 0.44 0.28 0.20 -1.23 0.00 0.00 174.94 174.65 1y9a s ASN 217 N 1.28 6.16 0.23 3.58 0.01 -1.26 -2.30 114.94 122.63 1y9a s ASN 217 Ca -0.00 0.16 -0.07 0.00 -0.71 0.00 0.00 52.86 52.24 1y9a s ASN 217 Cb -0.14 -2.16 0.38 0.00 0.41 0.00 0.00 41.25 39.74 1y9a s ASN 217 CO -0.07 -0.09 1.70 1.88 -1.51 0.00 0.00 177.10 179.01 1y9a h TYR 218 N 8.12 0.27 0.00 2.20 -1.99 -1.67 -1.26 116.97 122.65 1y9a h TYR 218 Ca -0.34 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.43 1y9a h TYR 218 Cb 1.17 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.89 1y9a h TYR 218 CO 0.74 -0.04 0.00 0.87 -0.00 0.00 0.00 178.16 179.73 1y9a h LYS 219 N 0.29 0.00 0.00 4.88 1.79 -1.83 -3.39 116.57 118.31 1y9a h LYS 219 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1y9a h LYS 219 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1y9a h LYS 219 CO -0.44 0.00 0.00 -1.71 -1.08 0.00 0.00 179.45 176.22 1y9a n ASN 220 N -2.55 -0.27 -3.50 0.86 2.85 -0.48 -5.05 115.26 107.13 1y9a n ASN 220 Ca -0.01 -0.79 -0.27 0.00 -0.11 0.00 0.00 54.58 53.39 1y9a n ASN 220 Cb 0.10 0.00 0.25 0.00 1.24 0.00 0.00 39.78 41.37 1y9a n ASN 220 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1y9a n GLY 221 N 4.28 -3.33 3.22 8.20 0.00 -1.26 -4.85 105.19 111.46 1y9a n GLY 221 Ca 0.00 -1.41 -0.58 0.00 0.00 0.00 0.00 46.02 44.03 1y9a n GLY 221 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y9a n ASP 222 N -4.50 1.03 0.13 1.61 -0.08 -1.26 -4.76 116.55 108.73 1y9a n ASP 222 Ca 0.10 1.02 0.03 0.00 -1.51 0.00 0.00 54.79 54.43 1y9a n ASP 222 Cb 0.53 -0.76 0.40 0.00 2.34 0.00 0.00 41.12 43.63 1y9a n ASP 222 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1y9a h ILE 223 N 4.28 1.18 -0.08 5.18 3.07 -1.89 -1.35 117.51 127.91 1y9a h ILE 223 Ca -0.38 -0.81 -0.00 0.00 1.55 0.00 0.00 64.86 65.22 1y9a h ILE 223 Cb 1.18 1.26 -0.00 0.00 -0.27 0.00 0.00 36.82 38.99 1y9a h ILE 223 CO 0.84 0.25 0.03 0.58 -1.05 0.00 0.00 178.15 178.80 1y9a h VAL 224 N 0.19 1.13 -0.49 0.16 2.07 -1.90 0.14 116.25 117.55 1y9a h VAL 224 Ca 0.04 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 1y9a h VAL 224 Cb 0.39 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1y9a h VAL 224 CO 0.02 0.11 -0.05 -0.08 0.02 0.00 0.00 177.57 177.60 1y9a h GLU 225 N -0.02 0.84 -0.16 1.57 4.57 -1.83 0.22 114.58 119.78 1y9a h GLU 225 Ca 0.03 -0.26 0.03 0.00 -1.18 0.00 0.00 59.36 57.98 1y9a h GLU 225 Cb 0.15 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1y9a h GLU 225 CO -0.00 0.87 -0.01 1.96 -1.18 0.00 0.00 179.01 180.65 1y9a h GLN 226 N 0.77 0.03 -0.46 1.92 4.20 -0.98 -0.05 115.11 120.54 1y9a h GLN 226 Ca 0.14 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1y9a h GLN 226 Cb 0.53 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1y9a h GLN 226 CO 0.03 0.02 0.20 0.82 -0.67 0.00 0.00 178.83 179.24 1y9a h ILE 227 N 0.03 1.20 -0.33 2.54 1.08 -0.17 -1.47 117.51 120.38 1y9a h ILE 227 Ca 0.07 -0.58 -0.07 0.00 -0.39 0.00 0.00 64.86 63.89 1y9a h ILE 227 Cb 0.10 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1y9a h ILE 227 CO -0.14 0.22 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.40 1y9a h LEU 228 N 0.61 0.53 -0.66 1.44 3.38 -0.27 -2.11 115.31 118.22 1y9a h LEU 228 Ca 0.16 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1y9a h LEU 228 Cb 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1y9a h LEU 228 CO -0.02 0.66 0.19 0.50 0.09 0.00 0.00 178.44 179.86 1y9a h LYS 229 N 0.52 1.04 0.00 1.13 3.64 -0.68 0.95 116.57 123.18 1y9a h LYS 229 Ca 0.10 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1y9a h LYS 229 Cb 0.46 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1y9a h LYS 229 CO 0.02 0.92 -0.05 0.00 -2.27 0.00 0.00 179.45 178.07 1y9a h ALA 230 N 1.08 1.01 -0.37 5.00 0.00 -0.65 -2.70 119.26 122.64 1y9a h ALA 230 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1y9a h ALA 230 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1y9a h ALA 230 CO -0.00 0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.56 1y9a n THR 231 N -3.17 1.75 -3.75 0.00 -2.24 -0.87 -4.97 114.28 101.04 1y9a n THR 231 Ca 0.01 -1.43 -0.26 0.00 -2.27 0.00 0.00 64.05 60.10 1y9a n THR 231 Cb 0.34 0.09 0.05 0.00 -2.10 0.00 0.00 70.33 68.70 1y9a n THR 231 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1y9a n ASP 232 N 0.17 -4.26 0.00 3.42 10.43 -0.83 -1.87 116.55 123.61 1y9a n ASP 232 Ca 0.19 -0.71 0.00 0.00 2.57 0.00 0.00 54.79 56.83 1y9a n ASP 232 Cb 0.73 -4.32 0.00 0.00 1.84 0.00 0.00 41.12 39.37 1y9a n ASP 232 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1y9a n GLY 233 N -1.71 1.17 0.16 0.44 0.00 0.32 -4.88 105.19 100.71 1y9a n GLY 233 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.01 1y9a n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y9a h LYS 234 N 1.73 0.00 0.00 1.61 1.57 -1.57 -3.49 116.57 116.42 1y9a h LYS 234 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1y9a h LYS 234 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1y9a h LYS 234 CO 0.00 0.40 -0.01 0.41 -0.57 0.00 0.00 179.45 179.68 1y9a n GLY 235 N 0.98 -2.20 3.94 3.86 0.00 -1.26 -4.53 105.19 105.98 1y9a n GLY 235 Ca 0.02 -1.49 -0.22 0.00 0.00 0.00 0.00 46.02 44.33 1y9a n GLY 235 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y9a s VAL 236 N -0.69 5.10 0.07 1.61 -7.23 -0.45 -4.86 120.40 113.97 1y9a s VAL 236 Ca 0.00 -1.04 -0.14 0.00 -1.81 0.00 0.00 61.98 58.99 1y9a s VAL 236 Cb 0.00 -3.75 -0.24 0.00 0.56 0.00 0.00 36.38 32.95 1y9a s VAL 236 CO 0.00 -0.31 1.19 0.44 -0.31 0.00 0.00 175.10 176.11 1y9a h ASP 237 N 1.34 0.91 -5.02 4.85 3.32 -1.33 -1.16 116.42 119.32 1y9a h ASP 237 Ca -0.51 -0.74 -0.13 0.00 0.02 0.00 0.00 57.03 55.67 1y9a h ASP 237 Cb 1.23 -0.28 -0.19 0.00 0.22 0.00 0.00 39.33 40.31 1y9a h ASP 237 CO 0.62 1.54 -0.45 -0.54 -1.72 0.00 0.00 179.24 178.69 1y9a s LYS 238 N -3.29 0.58 -0.03 3.56 -0.14 -1.04 -4.22 119.74 115.15 1y9a s LYS 238 Ca -0.10 -0.50 0.03 0.00 -1.36 0.00 0.00 55.97 54.04 1y9a s LYS 238 Cb 0.07 0.24 0.00 0.00 -1.68 0.00 0.00 37.83 36.46 1y9a s LYS 238 CO 0.92 -0.15 -0.10 0.08 -0.76 0.00 0.00 175.35 175.35 1y9a s VAL 239 N -1.89 0.84 -0.11 3.17 1.01 -0.91 -1.60 120.40 120.89 1y9a s VAL 239 Ca -0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1y9a s VAL 239 Cb -0.05 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1y9a s VAL 239 CO -0.01 0.26 -0.07 -0.69 0.00 0.00 0.00 175.10 174.60 1y9a s VAL 240 N 0.22 3.68 -0.26 2.92 1.01 0.39 -0.39 120.40 127.98 1y9a s VAL 240 Ca -0.04 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 1y9a s VAL 240 Cb -0.09 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 1y9a s VAL 240 CO 0.01 0.54 0.02 -0.63 0.00 0.00 0.00 175.10 175.04 1y9a s ILE 241 N -0.13 3.71 -0.02 2.22 1.01 0.18 -0.86 121.20 127.30 1y9a s ILE 241 Ca 0.02 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1y9a s ILE 241 Cb -0.13 -2.81 0.04 0.00 0.01 0.00 0.00 42.46 39.57 1y9a s ILE 241 CO 0.03 0.24 0.88 0.00 0.00 0.00 0.00 174.94 176.09 1y9a n ALA 242 N 4.83 1.76 -3.08 9.38 0.00 0.78 -1.51 120.51 132.67 1y9a n ALA 242 Ca -0.16 -1.10 0.01 0.00 0.00 0.00 0.00 53.44 52.19 1y9a n ALA 242 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1y9a n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y9a n GLY 243 N -0.46 0.89 1.25 0.00 0.00 -0.98 -4.34 105.19 101.55 1y9a n GLY 243 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1y9a n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y9a n GLY 244 N -0.07 0.94 0.15 -0.02 0.00 -1.26 -4.72 105.19 100.21 1y9a n GLY 244 Ca 0.00 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.70 1y9a n GLY 244 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1y9a h VAL 246 N 0.00 0.00 -0.01 1.61 -1.51 -1.90 -3.49 116.25 110.95 1y9a h VAL 246 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1y9a h VAL 246 Cb 0.00 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1y9a h VAL 246 CO 0.00 0.00 -0.29 1.41 -1.23 0.00 0.00 177.57 177.46 1y9a n HIS 247 N -2.31 0.00 0.12 5.19 8.25 -1.26 -4.03 115.22 121.18 1y9a n HIS 247 Ca 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.45 1y9a n HIS 247 Cb 0.20 -0.12 0.15 0.00 1.12 0.00 0.00 29.99 31.34 1y9a n HIS 247 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1y9a h THR 248 N 1.21 1.43 -0.86 1.59 2.02 -1.94 -3.05 112.91 113.32 1y9a h THR 248 Ca 0.00 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.10 1y9a h THR 248 Cb 0.52 2.11 -0.04 0.00 -1.74 0.00 0.00 68.15 69.00 1y9a h THR 248 CO 0.00 0.60 0.54 -0.26 0.37 0.00 0.00 175.52 176.77 1y9a h PHE 249 N 0.05 1.10 -0.60 3.16 -1.00 -1.87 -1.33 116.94 116.46 1y9a h PHE 249 Ca -0.01 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.73 1y9a h PHE 249 Cb 1.10 -0.37 -0.03 0.00 3.61 0.00 0.00 35.95 40.27 1y9a h PHE 249 CO 0.01 0.72 0.15 0.00 -1.61 0.00 0.00 178.31 177.57 1y9a h ALA 250 N 1.42 1.14 -0.43 2.45 0.00 -1.62 -1.09 119.26 121.14 1y9a h ALA 250 Ca 0.31 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1y9a h ALA 250 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1y9a h ALA 250 CO -0.06 0.58 0.07 1.96 0.00 0.00 0.00 179.25 181.80 1y9a h GLN 251 N 0.89 0.70 -0.48 0.00 4.20 -1.40 -1.98 115.11 117.04 1y9a h GLN 251 Ca 0.19 -0.19 0.04 0.00 0.06 0.00 0.00 58.65 58.76 1y9a h GLN 251 Cb 0.31 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1y9a h GLN 251 CO -0.00 0.73 0.24 0.00 -0.67 0.00 0.00 178.83 179.13 1y9a h ALA 252 N 0.94 0.61 -0.49 3.87 0.00 -0.82 -2.14 119.26 121.23 1y9a h ALA 252 Ca 0.13 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1y9a h ALA 252 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1y9a h ALA 252 CO 0.01 -0.12 0.07 0.28 0.00 0.00 0.00 179.25 179.49 1y9a h VAL 253 N 0.46 1.22 0.00 0.00 2.07 -1.01 -2.31 116.25 116.68 1y9a h VAL 253 Ca 0.21 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1y9a h VAL 253 Cb 0.13 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1y9a h VAL 253 CO -0.16 0.31 -0.07 0.11 0.02 0.00 0.00 177.57 177.78 1y9a h LYS 254 N 0.73 0.00 -0.00 1.57 1.57 -0.99 -3.20 116.57 116.24 1y9a h LYS 254 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1y9a h LYS 254 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1y9a h LYS 254 CO 0.01 0.07 -0.89 0.00 -0.57 0.00 0.00 179.45 178.07 1y9a n MET 255 N -3.14 0.29 -3.85 3.15 0.00 -0.84 -4.99 117.12 107.74 1y9a n MET 255 Ca 0.02 -0.21 -0.31 0.00 0.00 0.00 0.00 57.70 57.20 1y9a n MET 255 Cb 0.47 -1.49 -0.04 0.00 0.00 0.00 0.00 33.22 32.16 1y9a n MET 255 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1y9a s ILE 256 N -2.88 5.34 0.80 3.17 2.07 -0.90 -1.34 121.20 127.47 1y9a s ILE 256 Ca 0.10 -0.25 -0.11 0.00 -1.41 0.00 0.00 60.65 58.99 1y9a s ILE 256 Cb 0.16 -3.62 0.08 0.00 0.13 0.00 0.00 42.46 39.21 1y9a s ILE 256 CO 0.80 0.14 1.09 -0.54 -1.91 0.00 0.00 174.94 174.53 1y9a s LYS 257 N -2.47 2.00 0.53 3.50 1.02 -0.44 -4.84 119.74 119.03 1y9a s LYS 257 Ca 0.36 1.13 -0.21 0.00 0.02 0.00 0.00 55.97 57.26 1y9a s LYS 257 Cb -0.13 -1.87 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1y9a s LYS 257 CO 0.26 -1.81 1.24 -1.25 -0.92 0.00 0.00 175.35 172.86 1y9a s PRO 258 N -4.89 3.30 -0.26 -1.68 0.04 -1.26 -4.21 135.00 126.04 1y9a s PRO 258 Ca 0.62 1.92 -0.03 0.00 0.04 0.00 0.00 61.00 63.55 1y9a s PRO 258 Cb -0.18 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1y9a s PRO 258 CO 0.56 -0.97 0.29 0.41 0.04 0.00 0.00 177.00 177.33 1y9a n GLY 259 N 0.54 -0.84 3.87 0.56 0.00 -0.35 -4.99 105.19 103.98 1y9a n GLY 259 Ca 0.10 0.29 -0.04 0.00 0.00 0.00 0.00 46.02 46.37 1y9a n GLY 259 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y9a s SER 260 N -2.08 0.01 -0.00 1.61 1.04 0.10 -5.00 113.70 109.37 1y9a s SER 260 Ca 0.05 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.69 1y9a s SER 260 Cb -0.02 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1y9a s SER 260 CO 0.33 -1.16 -0.02 -1.81 0.98 0.00 0.00 173.24 171.56 1y9a s ASP 261 N -3.35 0.29 -0.20 7.02 1.01 -1.26 -0.82 116.67 119.37 1y9a s ASP 261 Ca 0.21 -0.04 -0.01 0.00 0.71 0.00 0.00 52.55 53.42 1y9a s ASP 261 Cb -0.03 -0.05 0.01 0.00 1.01 0.00 0.00 42.92 43.86 1y9a s ASP 261 CO 0.07 0.02 -0.14 -0.63 0.21 0.00 0.00 175.17 174.70 1y9a s ILE 262 N 0.03 2.56 -0.39 0.77 1.01 0.22 -2.15 121.20 123.25 1y9a s ILE 262 Ca 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 1y9a s ILE 262 Cb -0.02 -2.12 0.07 0.00 0.01 0.00 0.00 42.46 40.40 1y9a s ILE 262 CO -0.00 0.49 0.19 -0.83 0.00 0.00 0.00 174.94 174.79 1y9a s GLY 263 N 1.36 1.92 -0.07 6.18 0.00 0.48 -0.99 107.32 116.20 1y9a s GLY 263 Ca 0.05 -2.09 -0.16 0.00 0.00 0.00 0.00 44.72 42.52 1y9a s GLY 263 CO -0.09 0.91 0.43 0.21 0.00 0.00 0.00 173.10 174.56 1y9a s ASN 264 N 1.82 6.72 0.00 1.64 2.47 0.78 -0.65 114.94 127.73 1y9a s ASN 264 Ca 0.02 0.85 0.00 0.00 0.42 0.00 0.00 52.86 54.15 1y9a s ASN 264 Cb -0.22 -2.26 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 1y9a s ASN 264 CO 0.01 0.15 0.28 1.33 -3.72 0.00 0.00 177.10 175.15 1y9a n VAL 265 N 2.85 0.00 -1.84 -5.21 0.24 -0.57 -1.74 118.33 112.06 1y9a n VAL 265 Ca -0.11 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.34 61.43 1y9a n VAL 265 Cb 0.52 1.26 -0.03 0.00 -1.47 0.00 0.00 33.84 34.12 1y9a n VAL 265 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1y9a s ASN 266 N -0.13 6.54 -0.38 -1.34 2.47 -1.21 -4.94 114.94 115.94 1y9a s ASN 266 Ca 0.00 2.58 -0.29 0.00 0.42 0.00 0.00 52.86 55.57 1y9a s ASN 266 Cb 0.00 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 37.25 1y9a s ASN 266 CO 0.00 -0.94 1.23 -0.47 -3.72 0.00 0.00 177.10 173.21 1y9a s TYR 267 N 2.84 2.75 -0.43 0.43 6.04 -1.26 -4.98 117.35 122.75 1y9a s TYR 267 Ca 0.77 0.84 -0.23 0.00 0.04 0.00 0.00 57.07 58.49 1y9a s TYR 267 Cb -0.42 -4.13 0.02 0.00 -1.04 0.00 0.00 41.96 36.40 1y9a s TYR 267 CO 0.34 -1.46 0.79 -0.51 -1.54 0.00 0.00 175.55 173.17 1y9a s LEU 268 N 4.51 4.20 0.26 6.97 1.43 -1.26 -4.93 118.68 129.86 1y9a s LEU 268 Ca 0.53 0.03 0.24 0.00 -1.03 0.00 0.00 54.13 53.90 1y9a s LEU 268 Cb -0.12 -3.00 0.45 0.00 0.03 0.00 0.00 46.19 43.55 1y9a s LEU 268 CO 0.27 -0.88 1.52 1.23 0.23 0.00 0.00 176.35 178.72 1y9a h GLY 269 N 10.06 0.00 -2.66 -3.19 0.00 -1.94 -3.48 103.07 101.86 1y9a h GLY 269 Ca -0.25 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.09 1y9a h GLY 269 CO 0.95 0.00 0.22 -1.83 0.00 0.00 0.00 176.54 175.88 1y9a s GLU 270 N -3.19 1.45 0.00 4.80 -1.05 -1.26 -4.60 118.70 114.86 1y9a s GLU 270 Ca 0.07 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 1y9a s GLU 270 Cb 0.10 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.38 1y9a s GLU 270 CO 0.67 -0.65 0.00 0.41 0.95 0.00 0.00 175.26 176.65 1y9a n GLY 271 N -0.41 2.51 0.14 -3.83 0.00 -1.26 -4.65 105.19 97.69 1y9a n GLY 271 Ca -0.13 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 1y9a n GLY 271 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y9a h ASP 272 N 0.00 0.40 -4.44 1.61 3.32 -2.03 -3.46 116.42 111.82 1y9a h ASP 272 Ca 0.00 -0.53 -0.40 0.00 0.02 0.00 0.00 57.03 56.12 1y9a h ASP 272 Cb 0.00 -0.11 -0.23 0.00 0.22 0.00 0.00 39.33 39.21 1y9a h ASP 272 CO 0.00 0.86 -0.78 0.20 -1.72 0.00 0.00 179.24 177.80 1y9a s ASN 273 N -6.23 1.51 -0.32 6.45 0.01 -1.26 -5.12 114.94 109.99 1y9a s ASN 273 Ca -0.14 -0.53 -0.15 0.00 -0.71 0.00 0.00 52.86 51.33 1y9a s ASN 273 Cb 0.05 -0.06 -0.02 0.00 0.41 0.00 0.00 41.25 41.63 1y9a s ASN 273 CO 0.76 -0.05 0.36 -0.63 -1.51 0.00 0.00 177.10 176.04 1y9a s ILE 274 N -1.09 5.17 -0.17 0.60 1.01 -1.26 -4.88 121.20 120.58 1y9a s ILE 274 Ca -0.02 0.22 -0.23 0.00 0.00 0.00 0.00 60.65 60.63 1y9a s ILE 274 Cb -0.09 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1y9a s ILE 274 CO 0.02 -0.01 0.73 1.51 0.00 0.00 0.00 174.94 177.19 1y9a s ASP 275 N 1.71 6.84 -0.23 3.58 -4.77 -1.26 -5.06 116.67 117.49 1y9a s ASP 275 Ca 0.13 1.03 -0.05 0.00 -3.30 0.00 0.00 52.55 50.35 1y9a s ASP 275 Cb -0.16 -2.40 -0.02 0.00 -1.09 0.00 0.00 42.92 39.24 1y9a s ASP 275 CO 0.11 -0.32 0.01 -0.63 0.70 0.00 0.00 175.17 175.04 1y9a s ILE 276 N 1.93 3.87 -0.03 2.11 -1.09 -1.26 -3.74 121.20 122.99 1y9a s ILE 276 Ca 0.34 -0.33 -0.30 0.00 -2.23 0.00 0.00 60.65 58.13 1y9a s ILE 276 Cb -0.16 -2.78 -0.05 0.00 -1.58 0.00 0.00 42.46 37.89 1y9a s ILE 276 CO 0.12 0.39 1.37 -2.16 -1.23 0.00 0.00 174.94 173.43 1y9a s PRO 277 N 1.43 4.28 0.13 2.79 0.04 -1.26 -4.91 135.00 137.50 1y9a s PRO 277 Ca 0.05 1.90 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 1y9a s PRO 277 Cb -0.15 -3.61 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 1y9a s PRO 277 CO 0.01 -0.58 1.69 -0.09 0.04 0.00 0.00 177.00 178.07 1y9a h ARG 278 N 7.91 -0.07 0.14 4.56 2.43 -1.98 -1.29 114.38 126.08 1y9a h ARG 278 Ca -0.36 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 1y9a h ARG 278 Cb 1.17 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1y9a h ARG 278 CO 0.91 -0.05 -0.07 0.77 -1.51 0.00 0.00 179.97 180.02 1y9a h SER 279 N -0.07 -0.16 1.03 -3.80 0.02 -1.96 -0.65 113.55 107.95 1y9a h SER 279 Ca 0.09 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1y9a h SER 279 Cb 0.21 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1y9a h SER 279 CO -0.21 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 174.86 1y9a n GLU 280 N -5.12 0.22 -0.04 3.45 4.71 -1.20 -1.90 120.64 120.75 1y9a n GLU 280 Ca -0.09 0.33 0.01 0.00 -0.01 0.00 0.00 57.16 57.40 1y9a n GLU 280 Cb 0.15 -1.84 0.02 0.00 -1.01 0.00 0.00 31.44 28.76 1y9a n GLU 280 CO 0.00 0.00 0.00 1.87 0.09 0.00 0.00 177.13 179.09 1y9a n TRP 281 N -2.24 0.10 -3.67 -0.32 -0.00 -0.49 -4.82 117.44 106.00 1y9a n TRP 281 Ca 0.04 -0.04 -0.25 0.00 -0.00 0.00 0.00 57.50 57.25 1y9a n TRP 281 Cb 0.31 -0.08 0.07 0.00 -0.00 0.00 0.00 31.31 31.61 1y9a n TRP 281 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1y9a n GLY 282 N 0.23 -0.51 4.44 5.87 0.00 -0.80 -2.45 105.19 111.97 1y9a n GLY 282 Ca 0.02 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1y9a n GLY 282 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1y9a n VAL 283 N -4.82 -0.40 0.00 1.61 0.24 -0.27 -0.67 118.33 114.01 1y9a n VAL 283 Ca -0.02 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1y9a n VAL 283 Cb 0.57 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 32.07 1y9a n VAL 283 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1y9a n GLY 284 N -1.31 0.53 0.20 7.63 0.00 -1.11 -4.95 105.19 106.18 1y9a n GLY 284 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1y9a n GLY 284 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1y9a n MET 285 N -1.70 0.47 -0.02 1.61 2.81 0.16 -4.84 117.12 115.60 1y9a n MET 285 Ca 0.00 -1.02 0.13 0.00 -1.81 0.00 0.00 57.70 55.00 1y9a n MET 285 Cb 0.00 -0.66 0.59 0.00 -0.71 0.00 0.00 33.22 32.44 1y9a n MET 285 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1y9a n GLY 286 N -0.21 -0.32 4.03 3.03 0.00 -1.02 -4.92 105.19 105.77 1y9a n GLY 286 Ca 0.02 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1y9a n GLY 286 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1y9a n HIS 287 N -0.22 -2.00 -3.25 1.61 8.25 -1.26 -1.21 115.22 117.14 1y9a n HIS 287 Ca 0.19 0.85 -0.46 0.00 -0.26 0.00 0.00 57.72 58.03 1y9a n HIS 287 Cb 0.24 -3.58 -0.02 0.00 1.12 0.00 0.00 29.99 27.75 1y9a n HIS 287 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1y9a s LYS 288 N -6.70 3.70 0.24 -0.41 1.02 -1.26 -0.72 119.74 115.61 1y9a s LYS 288 Ca 0.59 -2.45 -0.30 0.00 0.02 0.00 0.00 55.97 53.84 1y9a s LYS 288 Cb -0.31 -4.55 -0.09 0.00 -0.52 0.00 0.00 37.83 32.36 1y9a s LYS 288 CO 0.87 -1.38 1.17 -1.01 -0.92 0.00 0.00 175.35 174.08 1y9a s HIS 289 N 0.46 3.45 -0.18 3.18 3.76 -0.00 -4.89 115.29 121.08 1y9a s HIS 289 Ca 0.23 1.54 -0.00 0.00 -0.15 0.00 0.00 55.06 56.68 1y9a s HIS 289 Cb -0.09 -3.39 0.01 0.00 1.11 0.00 0.00 32.58 30.21 1y9a s HIS 289 CO -0.09 -0.99 -0.15 0.42 -0.85 0.00 0.00 174.74 173.08 1y9a s ILE 290 N -0.60 2.55 0.05 0.60 1.01 -1.26 -0.61 121.20 122.94 1y9a s ILE 290 Ca 0.49 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 60.42 1y9a s ILE 290 Cb -0.33 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1y9a s ILE 290 CO 0.40 0.51 -0.19 -1.00 0.00 0.00 0.00 174.94 174.66 1y9a s HIS 291 N 1.13 1.65 -0.21 3.97 3.76 -0.16 -4.98 115.29 120.45 1y9a s HIS 291 Ca 0.01 -0.38 -0.04 0.00 -0.15 0.00 0.00 55.06 54.50 1y9a s HIS 291 Cb -0.14 -0.97 0.11 0.00 1.11 0.00 0.00 32.58 32.68 1y9a s HIS 291 CO -0.06 0.10 0.33 0.20 -0.85 0.00 0.00 174.74 174.46 1y9a s GLY 292 N -1.30 -0.26 0.00 -2.22 0.00 -1.26 -0.15 107.32 102.13 1y9a s GLY 292 Ca 0.06 0.88 -0.04 0.00 0.00 0.00 0.00 44.72 45.62 1y9a s GLY 292 CO 0.02 2.39 0.08 -0.32 0.00 0.00 0.00 173.10 175.27 1y9a s GLY 293 N 2.49 0.09 0.32 0.20 0.00 -0.71 -4.98 107.32 104.73 1y9a s GLY 293 Ca 0.07 -0.22 -0.27 0.00 0.00 0.00 0.00 44.72 44.30 1y9a s GLY 293 CO -0.13 -0.32 1.01 -2.27 0.00 0.00 0.00 173.10 171.38 1y9a s LEU 294 N -1.20 4.37 0.52 0.66 2.96 -1.26 -4.58 118.68 120.16 1y9a s LEU 294 Ca -0.13 2.00 -0.23 0.00 -0.22 0.00 0.00 54.13 55.56 1y9a s LEU 294 Cb -0.07 -3.92 -0.06 0.00 0.50 0.00 0.00 46.19 42.63 1y9a s LEU 294 CO 0.01 -0.17 1.38 1.07 -1.32 0.00 0.00 176.35 177.31 1y9a n THR 295 N 0.64 3.58 -0.64 3.68 5.66 -1.26 -4.97 114.28 120.97 1y9a n THR 295 Ca 0.02 -0.50 -0.31 0.00 -3.05 0.00 0.00 64.05 60.21 1y9a n THR 295 Cb 0.48 -1.72 0.18 0.00 -1.55 0.00 0.00 70.33 67.73 1y9a n THR 295 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1y9a n PRO 296 N -0.81 -0.94 0.00 1.09 -0.02 -1.26 -4.80 135.00 128.27 1y9a n PRO 296 Ca 0.09 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1y9a n PRO 296 Cb 0.44 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1y9a n PRO 296 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y9a n GLY 297 N 0.63 3.85 0.00 -1.23 0.00 -1.26 -4.69 105.19 102.49 1y9a n GLY 297 Ca 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1y9a n GLY 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y9a n GLY 298 N 0.00 -1.25 0.26 -0.02 0.00 -0.63 -4.38 105.19 99.16 1y9a n GLY 298 Ca 0.00 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 1y9a n GLY 298 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1y9a h ARG 299 N 0.00 0.85 -0.36 1.61 2.43 -1.24 -2.89 114.38 114.77 1y9a h ARG 299 Ca 0.00 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 1y9a h ARG 299 Cb 0.00 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1y9a h ARG 299 CO 0.00 0.75 0.05 0.28 -1.51 0.00 0.00 179.97 179.54 1y9a h VAL 300 N 0.77 1.24 -0.58 0.20 2.07 -1.84 0.64 116.25 118.75 1y9a h VAL 300 Ca 0.18 -0.87 0.10 0.00 0.82 0.00 0.00 66.70 66.94 1y9a h VAL 300 Cb 0.23 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 1y9a h VAL 300 CO -0.01 0.29 0.16 -0.09 0.02 0.00 0.00 177.57 177.94 1y9a h ARG 301 N 0.45 0.30 -0.49 1.57 9.65 -1.75 -0.23 114.38 123.88 1y9a h ARG 301 Ca 0.11 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.88 1y9a h ARG 301 Cb 0.38 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1y9a h ARG 301 CO 0.01 0.20 -0.05 0.52 2.80 0.00 0.00 179.97 183.45 1y9a h MET 302 N 0.31 0.91 -0.19 0.20 2.86 -1.14 -1.80 114.93 116.09 1y9a h MET 302 Ca 0.30 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1y9a h MET 302 Cb 0.41 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1y9a h MET 302 CO -0.35 0.96 0.11 0.93 1.06 0.00 0.00 176.91 179.63 1y9a h GLU 303 N 0.76 0.26 0.03 1.72 5.08 -0.51 0.60 114.58 122.52 1y9a h GLU 303 Ca 0.13 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1y9a h GLU 303 Cb 0.59 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1y9a h GLU 303 CO 0.04 0.22 -0.02 0.87 -1.00 0.00 0.00 179.01 179.12 1y9a h LYS 304 N 0.22 -0.04 -0.35 2.33 1.57 -1.03 -2.39 116.57 116.87 1y9a h LYS 304 Ca 0.07 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1y9a h LYS 304 Cb 0.03 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1y9a h LYS 304 CO -0.01 0.01 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.71 1y9a h LEU 305 N -0.08 0.58 -1.37 2.94 3.38 -1.26 -2.54 115.31 116.96 1y9a h LEU 305 Ca -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1y9a h LEU 305 Cb 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1y9a h LEU 305 CO 0.01 0.72 0.22 0.00 0.09 0.00 0.00 178.44 179.47 1y9a h ALA 306 N 1.35 1.51 -0.26 1.53 0.00 -0.77 -1.89 119.26 120.73 1y9a h ALA 306 Ca 0.10 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1y9a h ALA 306 Cb 0.50 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1y9a h ALA 306 CO 0.03 0.39 0.18 0.66 0.00 0.00 0.00 179.25 180.51 1y9a h SER 307 N 0.65 0.10 -0.31 0.00 4.64 -0.98 -0.01 113.55 117.65 1y9a h SER 307 Ca 0.16 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.39 1y9a h SER 307 Cb 0.08 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1y9a h SER 307 CO -0.02 0.07 -0.13 -0.07 -0.87 0.00 0.00 176.83 175.80 1y9a h LEU 308 N 0.11 0.73 -0.06 5.97 3.38 -1.41 -1.20 115.31 122.84 1y9a h LEU 308 Ca 0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1y9a h LEU 308 Cb 0.32 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1y9a h LEU 308 CO -0.01 0.88 -0.07 0.40 0.09 0.00 0.00 178.44 179.73 1y9a h ILE 309 N 0.67 1.39 -0.77 1.22 2.04 -1.09 0.13 117.51 121.09 1y9a h ILE 309 Ca 0.11 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 64.77 1y9a h ILE 309 Cb 0.60 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 38.73 1y9a h ILE 309 CO 0.04 0.34 0.51 0.28 0.00 0.00 0.00 178.15 179.32 1y9a h SER 310 N -0.32 0.75 -0.06 1.72 0.02 -1.04 -1.10 113.55 113.52 1y9a h SER 310 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1y9a h SER 310 Cb 0.59 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1y9a h SER 310 CO 0.02 0.49 0.00 0.35 -1.14 0.00 0.00 176.83 176.55 1y9a n THR 311 N -4.48 0.07 -1.17 -2.27 -2.24 -0.46 -4.92 114.28 98.81 1y9a n THR 311 Ca 0.11 -0.17 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 1y9a n THR 311 Cb 0.20 0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.48 1y9a n THR 311 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y9a n GLY 312 N 1.02 0.54 0.09 3.38 0.00 -0.42 -4.93 105.19 104.87 1y9a n GLY 312 Ca 0.18 -0.95 0.09 0.00 0.00 0.00 0.00 46.02 45.33 1y9a n GLY 312 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y9a n LYS 313 N -2.76 1.15 -3.71 1.61 5.02 0.33 -4.88 118.16 114.93 1y9a n LYS 313 Ca -0.02 -0.19 -0.14 0.00 -2.02 0.00 0.00 58.31 55.94 1y9a n LYS 313 Cb 0.12 -1.35 -0.14 0.00 -0.02 0.00 0.00 35.03 33.64 1y9a n LYS 313 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1y9a s LEU 314 N -2.72 0.28 -0.40 -0.35 2.96 -0.49 -4.94 118.68 113.02 1y9a s LEU 314 Ca 0.09 0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 54.32 1y9a s LEU 314 Cb 0.14 0.45 0.08 0.00 0.50 0.00 0.00 46.19 47.36 1y9a s LEU 314 CO 0.68 -0.19 0.22 -0.62 -1.32 0.00 0.00 176.35 175.12 1y9a s ASP 315 N 1.71 5.46 0.05 3.68 2.15 -1.26 -4.26 116.67 124.20 1y9a s ASP 315 Ca -0.04 -1.58 0.26 0.00 0.43 0.00 0.00 52.55 51.61 1y9a s ASP 315 Cb -0.12 -1.92 0.67 0.00 -0.30 0.00 0.00 42.92 41.26 1y9a s ASP 315 CO -0.07 -0.50 1.55 0.35 -0.17 0.00 0.00 175.17 176.33 1y9a n THR 316 N 4.81 0.14 0.25 1.71 -2.24 -1.26 -4.13 114.28 113.57 1y9a n THR 316 Ca -0.09 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1y9a n THR 316 Cb 0.43 -0.10 0.62 0.00 -2.10 0.00 0.00 70.33 69.17 1y9a n THR 316 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y9a h SER 317 N 0.00 0.00 0.01 3.42 4.64 -1.92 -2.28 113.55 117.42 1y9a h SER 317 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y9a h SER 317 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1y9a h SER 317 CO 0.00 0.07 -0.00 0.11 -0.87 0.00 0.00 176.83 176.14 1y9a h LYS 318 N 0.00 0.00 0.00 4.77 1.57 -2.02 -1.60 116.57 119.29 1y9a h LYS 318 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y9a h LYS 318 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1y9a h LYS 318 CO 0.01 0.00 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.77 1y9a h LEU 319 N 0.00 0.00 -8.56 2.94 3.38 -1.71 -3.44 115.31 107.91 1y9a h LEU 319 Ca -0.00 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.30 1y9a h LEU 319 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.60 1y9a h LEU 319 CO 0.00 0.01 0.08 -0.63 0.09 0.00 0.00 178.44 177.99 1y9a s ILE 320 N -3.14 4.86 -0.20 1.22 1.01 -0.60 -1.35 121.20 123.00 1y9a s ILE 320 Ca 0.09 -0.01 0.16 0.00 0.00 0.00 0.00 60.65 60.90 1y9a s ILE 320 Cb 0.10 -4.20 -0.23 0.00 0.01 0.00 0.00 42.46 38.14 1y9a s ILE 320 CO 0.63 -0.61 0.43 0.35 0.00 0.00 0.00 174.94 175.74 1y9a n THR 321 N 5.78 0.00 -3.78 2.92 -2.24 -0.71 -4.95 114.28 111.31 1y9a n THR 321 Ca -0.03 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1y9a n THR 321 Cb 0.48 0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 68.91 1y9a n THR 321 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1y9a s HIS 322 N -2.98 -0.18 -0.02 4.78 3.76 -1.24 -4.98 115.29 114.42 1y9a s HIS 322 Ca -0.03 0.49 0.03 0.00 -0.15 0.00 0.00 55.06 55.40 1y9a s HIS 322 Cb 0.11 -0.01 -0.00 0.00 1.11 0.00 0.00 32.58 33.78 1y9a s HIS 322 CO 0.67 -0.14 -0.12 1.03 -0.85 0.00 0.00 174.74 175.34 1y9a s ARG 323 N 0.73 1.11 0.17 1.40 0.52 -1.26 -1.17 118.95 120.45 1y9a s ARG 323 Ca -0.05 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 54.79 1y9a s ARG 323 Cb -0.07 -1.03 -0.05 0.00 0.52 0.00 0.00 34.95 34.32 1y9a s ARG 323 CO -0.04 0.20 -0.08 -0.06 0.02 0.00 0.00 175.30 175.34 1y9a s PHE 324 N -0.03 1.35 -0.01 -0.53 0.40 -0.44 -4.98 117.98 113.74 1y9a s PHE 324 Ca -0.00 -0.79 0.07 0.00 -0.60 0.00 0.00 56.93 55.60 1y9a s PHE 324 Cb -0.07 -0.71 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 1y9a s PHE 324 CO 0.00 0.06 -0.22 -2.00 0.70 0.00 0.00 175.22 173.76 1y9a s GLU 325 N -3.77 1.75 0.00 0.44 -6.30 -1.26 -1.27 118.70 108.28 1y9a s GLU 325 Ca 0.20 -0.79 0.00 0.00 -2.50 0.00 0.00 54.97 51.88 1y9a s GLU 325 Cb 0.03 -1.70 0.00 0.00 0.00 0.00 0.00 34.13 32.46 1y9a s GLU 325 CO 0.03 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.18 1y9a n GLY 326 N 2.50 2.23 0.36 -1.50 0.00 -0.17 -4.69 105.19 103.93 1y9a n GLY 326 Ca -0.15 -1.50 0.15 0.00 0.00 0.00 0.00 46.02 44.52 1y9a n GLY 326 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1y9a h LEU 327 N 0.00 0.69 -1.76 0.99 5.85 -1.97 -1.34 115.31 117.78 1y9a h LEU 327 Ca 0.00 0.10 0.16 0.00 0.84 0.00 0.00 57.88 58.97 1y9a h LEU 327 Cb 0.00 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1y9a h LEU 327 CO 0.00 0.22 0.46 -0.33 -0.34 0.00 0.00 178.44 178.45 1y9a h GLU 328 N 0.66 0.23 0.00 1.25 5.08 -1.98 -2.51 114.58 117.30 1y9a h GLU 328 Ca 0.58 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1y9a h GLU 328 Cb 1.05 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1y9a h GLU 328 CO -0.37 0.15 0.00 1.63 -1.00 0.00 0.00 179.01 179.43 1y9a n LYS 329 N -4.43 0.20 0.23 2.33 4.76 -0.50 -2.42 118.16 118.33 1y9a n LYS 329 Ca 0.13 0.08 0.12 0.00 -2.87 0.00 0.00 58.31 55.77 1y9a n LYS 329 Cb 0.58 -1.50 0.74 0.00 -1.84 0.00 0.00 35.03 33.01 1y9a n LYS 329 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1y9a h VAL 330 N 0.00 0.79 0.06 -0.18 -1.51 -1.61 0.30 116.25 114.11 1y9a h VAL 330 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1y9a h VAL 330 Cb 0.28 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 1y9a h VAL 330 CO 0.00 0.00 -0.03 -0.08 -1.23 0.00 0.00 177.57 176.23 1y9a h GLU 331 N 0.00 -0.08 -0.67 5.19 4.81 -1.72 0.26 114.58 122.37 1y9a h GLU 331 Ca 0.04 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1y9a h GLU 331 Cb 0.18 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 1y9a h GLU 331 CO -0.00 0.22 0.36 -0.44 -0.73 0.00 0.00 179.01 178.42 1y9a h ASP 332 N -0.37 0.52 -0.51 1.04 3.32 -1.62 -1.37 116.42 117.43 1y9a h ASP 332 Ca -0.01 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1y9a h ASP 332 Cb 0.33 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1y9a h ASP 332 CO 0.01 0.33 0.08 0.00 -1.72 0.00 0.00 179.24 177.94 1y9a h ALA 333 N 1.36 0.68 -0.58 3.45 0.00 -0.84 -2.40 119.26 120.92 1y9a h ALA 333 Ca 0.31 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1y9a h ALA 333 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1y9a h ALA 333 CO -0.20 0.41 0.05 1.25 0.00 0.00 0.00 179.25 180.77 1y9a h LEU 334 N 0.72 0.93 -1.84 0.00 5.85 -0.59 -2.35 115.31 118.04 1y9a h LEU 334 Ca 0.15 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1y9a h LEU 334 Cb 0.41 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1y9a h LEU 334 CO 0.01 0.96 0.01 0.24 -0.34 0.00 0.00 178.44 179.32 1y9a h MET 335 N 0.91 0.11 -0.59 1.25 2.86 -1.12 -1.51 114.93 116.84 1y9a h MET 335 Ca 0.18 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.75 1y9a h MET 335 Cb 0.45 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 1y9a h MET 335 CO 0.02 0.11 0.14 -0.07 1.06 0.00 0.00 176.91 178.17 1y9a h LEU 336 N 0.11 0.87 -0.81 1.22 3.38 -0.90 -0.65 115.31 118.54 1y9a h LEU 336 Ca 0.03 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1y9a h LEU 336 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1y9a h LEU 336 CO -0.00 0.85 -0.51 0.24 0.09 0.00 0.00 178.44 179.11 1y9a h MET 337 N 0.89 0.21 -0.40 1.13 2.86 -1.20 0.41 114.93 118.83 1y9a h MET 337 Ca 0.19 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1y9a h MET 337 Cb 0.33 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1y9a h MET 337 CO 0.00 0.68 -0.10 -0.22 1.06 0.00 0.00 176.91 178.33 1y9a h LYS 338 N 0.17 0.77 0.00 1.72 3.64 -0.77 -3.35 116.57 118.75 1y9a h LYS 338 Ca 0.00 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1y9a h LYS 338 Cb 0.96 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1y9a h LYS 338 CO 0.08 0.91 -1.51 0.09 -2.27 0.00 0.00 179.45 176.74 1y9a n ASN 339 N -4.33 0.42 -3.41 4.20 3.02 -0.30 -5.04 115.26 109.82 1y9a n ASN 339 Ca -0.01 0.16 -0.16 0.00 -0.03 0.00 0.00 54.58 54.54 1y9a n ASN 339 Cb 0.36 1.24 0.03 0.00 -0.61 0.00 0.00 39.78 40.79 1y9a n ASN 339 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1y9a n LYS 340 N -2.47 -1.48 -0.92 3.52 5.02 0.14 -4.99 118.16 116.99 1y9a n LYS 340 Ca -0.02 0.95 -0.30 0.00 -2.02 0.00 0.00 58.31 56.92 1y9a n LYS 340 Cb 0.56 -4.67 0.16 0.00 -0.02 0.00 0.00 35.03 31.06 1y9a n LYS 340 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1y9a s PRO 341 N -4.47 0.93 0.17 1.97 0.04 -1.26 -4.96 135.00 127.43 1y9a s PRO 341 Ca 0.22 1.13 -0.15 0.00 0.04 0.00 0.00 61.00 62.23 1y9a s PRO 341 Cb -0.06 -1.75 0.13 0.00 0.04 0.00 0.00 34.50 32.86 1y9a s PRO 341 CO 0.81 -2.55 1.70 0.00 0.04 0.00 0.00 177.00 176.99 1y9a h ALA 342 N -1.79 0.40 -0.70 8.56 0.00 -2.00 -2.82 119.26 120.91 1y9a h ALA 342 Ca -0.49 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1y9a h ALA 342 Cb 1.28 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1y9a h ALA 342 CO 0.49 -0.38 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 1y9a n ASP 343 N -5.19 4.49 -4.73 0.00 8.00 -1.26 -4.94 116.55 112.93 1y9a n ASP 343 Ca 0.03 -2.26 -0.41 0.00 0.71 0.00 0.00 54.79 52.86 1y9a n ASP 343 Cb 0.22 -0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 40.73 1y9a n ASP 343 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1y9a s LEU 344 N -1.49 4.48 0.00 0.64 2.96 -1.07 -4.89 118.68 119.30 1y9a s LEU 344 Ca 0.51 1.84 0.00 0.00 -0.22 0.00 0.00 54.13 56.26 1y9a s LEU 344 Cb 0.30 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.41 1y9a s LEU 344 CO 0.29 -0.14 0.00 -0.38 -1.32 0.00 0.00 176.35 174.80 1y9a n ILE 345 N 2.90 0.00 -4.28 6.68 5.41 -1.26 -4.99 119.36 123.82 1y9a n ILE 345 Ca 0.03 0.01 -0.22 0.00 1.00 0.00 0.00 62.75 63.57 1y9a n ILE 345 Cb 0.49 -0.66 -0.16 0.00 -0.71 0.00 0.00 39.64 38.60 1y9a n ILE 345 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1y9a s LYS 346 N -0.19 1.13 0.46 0.38 -0.14 -0.45 -4.77 119.74 116.16 1y9a s LYS 346 Ca 0.00 -0.21 -0.17 0.00 -1.36 0.00 0.00 55.97 54.24 1y9a s LYS 346 Cb 0.00 -1.06 -0.09 0.00 -1.68 0.00 0.00 37.83 35.01 1y9a s LYS 346 CO 0.00 -0.06 0.92 -1.25 -0.76 0.00 0.00 175.35 174.20 1y9a s PRO 347 N 0.89 4.01 0.03 -1.68 0.05 -1.26 -1.74 135.00 135.30 1y9a s PRO 347 Ca -0.11 0.91 0.05 0.00 0.05 0.00 0.00 61.00 61.89 1y9a s PRO 347 Cb -0.15 -2.21 -0.02 0.00 0.05 0.00 0.00 34.50 32.17 1y9a s PRO 347 CO 0.01 -0.13 -0.14 0.08 0.05 0.00 0.00 177.00 176.87 1y9a s VAL 348 N -2.40 1.10 -0.15 -0.36 1.01 -0.32 -4.30 120.40 114.99 1y9a s VAL 348 Ca 0.58 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1y9a s VAL 348 Cb -0.10 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1y9a s VAL 348 CO 0.25 0.08 -0.21 -0.69 0.00 0.00 0.00 175.10 174.52 1y9a s VAL 349 N -0.72 2.04 0.04 2.92 1.01 0.15 -1.32 120.40 124.52 1y9a s VAL 349 Ca 0.02 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1y9a s VAL 349 Cb -0.07 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1y9a s VAL 349 CO 0.01 0.55 0.12 0.00 0.00 0.00 0.00 175.10 175.77 1y9a s ARG 350 N 0.89 3.10 -0.09 2.72 1.70 -0.40 -0.65 118.95 126.23 1y9a s ARG 350 Ca -0.05 -0.55 0.01 0.00 -0.47 0.00 0.00 55.73 54.67 1y9a s ARG 350 Cb -0.15 -2.86 0.02 0.00 -0.57 0.00 0.00 34.95 31.39 1y9a s ARG 350 CO -0.04 0.61 -0.09 0.42 -1.08 0.00 0.00 175.30 175.12 1y9a s ILE 351 N -1.36 0.99 0.03 4.99 1.01 0.04 -1.00 121.20 125.90 1y9a s ILE 351 Ca 0.29 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.51 1y9a s ILE 351 Cb -0.12 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 1y9a s ILE 351 CO 0.21 0.35 0.34 -2.28 0.00 0.00 0.00 174.94 173.56 1y9a s HIS 352 N 1.28 3.62 0.05 3.97 2.46 -1.26 -4.64 115.29 120.76 1y9a s HIS 352 Ca -0.03 0.75 0.05 0.00 0.47 0.00 0.00 55.06 56.30 1y9a s HIS 352 Cb -0.14 -2.12 -0.02 0.00 -0.13 0.00 0.00 32.58 30.17 1y9a s HIS 352 CO -0.03 0.59 -0.15 0.71 -2.47 0.00 0.00 174.74 173.39 1y9a s TYR 353 N -1.27 1.28 0.37 3.88 1.51 -1.26 -5.05 117.35 116.81 1y9a s TYR 353 Ca 0.28 -0.38 0.15 0.00 -1.01 0.00 0.00 57.07 56.10 1y9a s TYR 353 Cb -0.14 -0.75 0.81 0.00 -0.11 0.00 0.00 41.96 41.77 1y9a s TYR 353 CO 0.15 0.05 1.86 -0.44 -1.11 0.00 0.00 175.55 176.06 1y9a h ASP 354 N 4.75 0.00 -0.43 2.29 3.32 -2.06 -2.72 116.42 121.57 1y9a h ASP 354 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1y9a h ASP 354 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1y9a h ASP 354 CO 0.43 0.33 0.00 -0.90 -1.72 0.00 0.00 179.24 177.38 1y9a n ASP 355 N -4.04 4.88 -0.35 6.45 5.75 -1.26 -4.67 116.55 123.31 1y9a n ASP 355 Ca -0.02 -2.98 0.25 0.00 -0.01 0.00 0.00 54.79 52.03 1y9a n ASP 355 Cb 0.38 -0.62 0.50 0.00 -1.03 0.00 0.00 41.12 40.35 1y9a n ASP 355 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1y9a h GLU 356 N 2.97 0.32 -0.14 0.11 5.08 -1.90 0.33 114.58 121.35 1y9a h GLU 356 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1y9a h GLU 356 Cb 1.74 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.91 1y9a h GLU 356 CO 0.37 0.21 0.00 -0.25 -1.00 0.00 0.00 179.01 178.34 1y9a n ASP 357 N -4.89 2.51 0.00 1.42 10.43 -1.26 -4.56 116.55 120.20 1y9a n ASP 357 Ca 0.31 -1.72 0.00 0.00 2.57 0.00 0.00 54.79 55.95 1y9a n ASP 357 Cb 1.01 -0.09 0.00 0.00 1.84 0.00 0.00 41.12 43.88 1y9a n ASP 357 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1y9a n THR 358 N 0.83 0.00 -1.64 -3.53 -2.24 -0.56 -5.06 114.28 102.07 1y9a n THR 358 Ca 0.10 -0.27 -0.47 0.00 -2.27 0.00 0.00 64.05 61.15 1y9a n THR 358 Cb 0.40 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.41 1y9a n THR 358 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1y9a n LEU 359 N -0.89 2.59 0.00 3.22 7.94 0.11 -5.08 117.00 124.89 1y9a n LEU 359 Ca 0.00 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 1y9a n LEU 359 Cb 0.00 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 42.60 1y9a n LEU 359 CO 0.00 -0.67 0.00 0.00 -1.11 0.00 0.00 177.39 175.61