#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3noo s VAL 3 N 0.00 4.28 -0.32 0.00 1.01 -0.15 -4.84 120.40 120.38 3noo s VAL 3 Ca 0.00 1.61 -0.17 0.00 0.00 0.00 0.00 61.98 63.41 3noo s VAL 3 Cb 0.00 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 3noo s VAL 3 CO 0.00 0.02 0.48 -1.10 0.00 0.00 0.00 175.10 174.50 3noo s GLN 4 N 2.03 3.78 -0.10 2.72 -1.52 -1.26 -0.87 119.66 124.43 3noo s GLN 4 Ca 0.56 -0.04 0.03 0.00 -1.95 0.00 0.00 55.36 53.95 3noo s GLN 4 Cb -0.25 -3.75 0.01 0.00 -0.22 0.00 0.00 33.01 28.80 3noo s GLN 4 CO 0.23 -0.51 -0.20 0.42 -0.25 0.00 0.00 175.29 174.98 3noo s ILE 5 N 2.30 1.80 -0.04 1.08 1.01 -0.39 -0.25 121.20 126.70 3noo s ILE 5 Ca 0.18 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 60.01 3noo s ILE 5 Cb -0.16 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.73 3noo s ILE 5 CO 0.12 0.50 -0.11 -0.83 0.00 0.00 0.00 174.94 174.62 3noo s GLY 6 N 0.61 0.68 -0.13 6.18 0.00 0.02 -0.16 107.32 114.53 3noo s GLY 6 Ca -0.13 -0.41 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 3noo s GLY 6 CO 0.04 -0.05 -0.05 -1.36 0.00 0.00 0.00 173.10 171.68 3noo s PHE 7 N 0.34 2.98 -0.13 1.90 0.08 -0.50 -0.82 117.98 121.83 3noo s PHE 7 Ca -0.07 -0.26 -0.29 0.00 0.12 0.00 0.00 56.93 56.42 3noo s PHE 7 Cb -0.12 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.43 3noo s PHE 7 CO 0.02 0.03 1.27 -1.17 -0.10 0.00 0.00 175.22 175.27 3noo s LEU 8 N 0.08 4.21 -0.38 -0.37 2.96 -0.78 -0.66 118.68 123.73 3noo s LEU 8 Ca -0.01 1.76 -0.04 0.00 -0.22 0.00 0.00 54.13 55.61 3noo s LEU 8 Cb -0.14 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.09 3noo s LEU 8 CO 0.03 -0.73 0.16 -0.22 -1.32 0.00 0.00 176.35 174.27 3noo s LEU 9 N 3.21 4.83 0.17 -0.68 2.96 -0.00 -4.41 118.68 124.76 3noo s LEU 9 Ca 0.56 -1.66 0.08 0.00 -0.22 0.00 0.00 54.13 52.89 3noo s LEU 9 Cb -0.23 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 3noo s LEU 9 CO 0.17 -0.46 -0.18 0.72 -1.32 0.00 0.00 176.35 175.28 3noo s PHE 10 N 1.25 1.82 0.21 5.38 -0.12 -1.26 -4.45 117.98 120.81 3noo s PHE 10 Ca 0.03 -0.48 -0.32 0.00 -0.05 0.00 0.00 56.93 56.11 3noo s PHE 10 Cb -0.22 -0.90 -0.14 0.00 -0.63 0.00 0.00 43.02 41.13 3noo s PHE 10 CO -0.02 0.34 1.43 -2.30 -0.05 0.00 0.00 175.22 174.62 3noo n PRO 11 N 0.21 1.96 -1.53 1.99 -0.02 -1.26 -1.89 135.00 134.45 3noo n PRO 11 Ca -0.13 0.70 -0.08 0.00 -2.02 0.00 0.00 63.50 61.97 3noo n PRO 11 Cb 0.57 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 3noo n PRO 11 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3noo n GLU 12 N 2.36 -0.61 -1.78 -0.52 1.02 0.25 -4.04 120.64 117.33 3noo n GLU 12 Ca 0.13 0.67 -0.38 0.00 -0.02 0.00 0.00 57.16 57.57 3noo n GLU 12 Cb 0.30 -4.56 0.05 0.00 -0.02 0.00 0.00 31.44 27.21 3noo n GLU 12 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3noo s VAL 13 N -2.34 2.08 -0.76 2.62 0.11 -0.79 -1.39 120.40 119.92 3noo s VAL 13 Ca 0.00 0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.84 3noo s VAL 13 Cb 0.00 -3.03 0.03 0.00 -1.53 0.00 0.00 36.38 31.85 3noo s VAL 13 CO 0.00 -0.00 1.36 -1.58 -3.33 0.00 0.00 175.10 171.54 3noo s GLN 14 N -3.07 3.18 0.31 1.54 2.00 0.14 -0.46 119.66 123.30 3noo s GLN 14 Ca 0.75 -0.27 -0.00 0.00 -2.00 0.00 0.00 55.36 53.84 3noo s GLN 14 Cb -0.39 -4.34 0.49 0.00 0.80 0.00 0.00 33.01 29.57 3noo s GLN 14 CO 0.45 -2.22 1.93 -0.56 -0.50 0.00 0.00 175.29 174.38 3noo h GLN 15 N 10.45 0.90 0.00 1.67 -0.00 -1.92 -1.60 115.11 124.61 3noo h GLN 15 Ca -0.22 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.65 58.30 3noo h GLN 15 Cb 1.05 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.48 28.35 3noo h GLN 15 CO 1.29 0.67 -0.12 1.25 -0.00 0.00 0.00 178.83 181.93 3noo h LEU 16 N 0.90 0.00 -1.05 0.06 5.85 -1.91 0.68 115.31 119.84 3noo h LEU 16 Ca 0.23 0.00 0.18 0.00 0.84 0.00 0.00 57.88 59.13 3noo h LEU 16 Cb 0.05 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.98 3noo h LEU 16 CO -0.03 0.12 0.62 0.44 -0.34 0.00 0.00 178.44 179.24 3noo h ASP 17 N 0.00 0.77 0.03 1.25 5.19 -1.39 -2.50 116.42 119.78 3noo h ASP 17 Ca -0.00 0.09 -0.25 0.00 -0.62 0.00 0.00 57.03 56.24 3noo h ASP 17 Cb 0.25 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.68 3noo h ASP 17 CO 0.02 0.29 -1.37 0.25 -3.12 0.00 0.00 179.24 175.31 3noo h LEU 18 N 0.76 0.11 -1.19 1.55 6.46 -1.31 -3.40 115.31 118.29 3noo h LEU 18 Ca 0.56 -0.64 -0.07 0.00 -0.12 0.00 0.00 57.88 57.61 3noo h LEU 18 Cb 0.88 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 3noo h LEU 18 CO -0.35 1.56 -0.34 0.71 -0.62 0.00 0.00 178.44 179.40 3noo h THR 19 N -0.74 0.96 0.56 1.05 1.35 -0.83 -1.20 112.91 114.05 3noo h THR 19 Ca -0.35 -1.31 -0.03 0.00 -0.55 0.00 0.00 66.41 64.18 3noo h THR 19 Cb 1.47 1.77 0.01 0.00 -1.73 0.00 0.00 68.15 69.67 3noo h THR 19 CO -0.12 0.33 -0.27 1.23 -0.25 0.00 0.00 175.52 176.44 3noo h GLY 20 N 1.58 -0.78 2.00 5.82 0.00 -1.68 -2.25 103.07 107.76 3noo h GLY 20 Ca -0.00 0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 3noo h GLY 20 CO 0.04 -0.28 -0.09 -0.56 0.00 0.00 0.00 176.54 175.65 3noo h PRO 21 N -0.76 0.00 -0.02 4.80 0.13 -1.74 -2.63 132.00 131.78 3noo h PRO 21 Ca -0.08 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3noo h PRO 21 Cb 0.57 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 3noo h PRO 21 CO 0.13 0.10 -0.00 1.25 -0.23 0.00 0.00 178.00 179.24 3noo h HIS 22 N 0.00 -0.01 -0.25 1.56 2.76 -1.18 -0.47 115.15 117.57 3noo h HIS 22 Ca -0.00 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 3noo h HIS 22 Cb 0.17 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3noo h HIS 22 CO 0.00 -0.01 -0.16 0.22 -1.30 0.00 0.00 177.93 176.68 3noo h ASP 23 N -0.00 0.42 0.39 3.26 3.58 -1.05 0.92 116.42 123.94 3noo h ASP 23 Ca 0.01 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 3noo h ASP 23 Cb 0.01 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.96 3noo h ASP 23 CO -0.02 0.61 -0.19 0.58 -2.88 0.00 0.00 179.24 177.34 3noo h VAL 24 N 0.40 0.60 -0.18 2.25 2.07 -1.27 -3.14 116.25 116.98 3noo h VAL 24 Ca 0.07 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 3noo h VAL 24 Cb 0.52 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3noo h VAL 24 CO 0.03 0.07 -0.38 -0.07 0.02 0.00 0.00 177.57 177.25 3noo h LEU 25 N -0.76 0.41 -0.64 2.57 3.38 -0.93 -2.27 115.31 117.06 3noo h LEU 25 Ca -0.05 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3noo h LEU 25 Cb 0.52 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3noo h LEU 25 CO 0.09 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.37 3noo n ALA 26 N -2.49 1.48 1.04 1.53 0.00 0.30 -1.96 120.51 120.42 3noo n ALA 26 Ca -0.01 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.64 3noo n ALA 26 Cb 0.48 -1.31 0.56 0.00 0.00 0.00 0.00 19.45 19.18 3noo n ALA 26 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3noo n SER 27 N -2.03 0.10 -4.86 0.00 7.64 -0.85 -4.92 113.62 108.70 3noo n SER 27 Ca 0.02 0.30 -0.31 0.00 1.01 0.00 0.00 58.87 59.88 3noo n SER 27 Cb 0.16 -0.34 0.02 0.00 -1.01 0.00 0.00 64.21 63.04 3noo n SER 27 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3noo s LEU 28 N -2.96 3.21 0.68 -3.43 1.43 -0.83 -5.02 118.68 111.76 3noo s LEU 28 Ca 0.15 1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 54.60 3noo s LEU 28 Cb 0.19 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.93 3noo s LEU 28 CO 0.55 -1.00 1.06 -2.16 0.23 0.00 0.00 176.35 175.03 3noo s PRO 29 N -5.14 3.00 -1.39 1.29 0.04 -1.26 -4.24 135.00 127.30 3noo s PRO 29 Ca 0.56 1.00 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 3noo s PRO 29 Cb -0.12 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.45 3noo s PRO 29 CO 0.54 -1.05 0.33 -3.47 0.04 0.00 0.00 177.00 173.39 3noo n ASP 30 N -2.94 -1.42 -4.34 6.66 2.03 -1.26 -4.89 116.55 110.39 3noo n ASP 30 Ca 0.08 -1.28 -0.24 0.00 0.52 0.00 0.00 54.79 53.87 3noo n ASP 30 Cb 0.53 -1.69 -0.12 0.00 -0.72 0.00 0.00 41.12 39.13 3noo n ASP 30 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3noo s VAL 31 N -3.98 1.92 -0.12 5.18 -7.23 -1.26 -0.98 120.40 113.94 3noo s VAL 31 Ca 0.23 -1.83 -0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3noo s VAL 31 Cb -0.12 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 35.01 3noo s VAL 31 CO 0.98 -0.18 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.94 3noo s GLN 32 N -2.48 1.52 -0.15 4.82 0.74 -0.04 -4.86 119.66 119.20 3noo s GLN 32 Ca 0.14 -0.28 -0.04 0.00 0.05 0.00 0.00 55.36 55.22 3noo s GLN 32 Cb -0.08 -1.64 -0.03 0.00 1.10 0.00 0.00 33.01 32.37 3noo s GLN 32 CO 0.07 -0.29 -0.02 0.08 -0.55 0.00 0.00 175.29 174.58 3noo s VAL 33 N 1.70 4.10 0.00 1.34 1.01 -1.26 -1.26 120.40 126.03 3noo s VAL 33 Ca 0.05 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.79 3noo s VAL 33 Cb -0.13 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3noo s VAL 33 CO -0.08 0.50 -0.13 -1.00 0.00 0.00 0.00 175.10 174.38 3noo s HIS 34 N 0.26 2.71 -0.30 5.22 0.09 0.77 -4.99 115.29 119.05 3noo s HIS 34 Ca -0.01 -0.16 -0.06 0.00 -0.00 0.00 0.00 55.06 54.83 3noo s HIS 34 Cb -0.14 -1.56 0.02 0.00 -0.00 0.00 0.00 32.58 30.90 3noo s HIS 34 CO 0.02 0.27 0.07 -0.51 -0.00 0.00 0.00 174.74 174.59 3noo s LEU 35 N -1.21 3.90 -0.13 0.89 1.43 -1.26 -1.42 118.68 120.88 3noo s LEU 35 Ca 0.14 -0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 52.36 3noo s LEU 35 Cb -0.11 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3noo s LEU 35 CO 0.04 -0.22 -0.09 -0.63 0.23 0.00 0.00 176.35 175.68 3noo s ILE 36 N 1.44 3.40 0.20 -0.59 1.01 0.16 -0.13 121.20 126.69 3noo s ILE 36 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3noo s ILE 36 Cb -0.18 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.85 3noo s ILE 36 CO 0.02 0.52 0.26 1.87 0.00 0.00 0.00 174.94 177.61 3noo n TRP 37 N 3.34 -0.92 -0.21 3.97 -0.00 -0.74 -0.82 117.44 122.06 3noo n TRP 37 Ca -0.18 -1.42 0.01 0.00 -0.00 0.00 0.00 57.50 55.91 3noo n TRP 37 Cb 0.53 0.29 0.25 0.00 -0.00 0.00 0.00 31.31 32.38 3noo n TRP 37 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 3noo h LYS 38 N 0.00 0.98 -4.03 5.87 1.57 -1.89 -1.45 116.57 117.61 3noo h LYS 38 Ca -0.15 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.44 3noo h LYS 38 Cb 0.69 -0.22 -0.17 0.00 0.08 0.00 0.00 32.23 32.61 3noo h LYS 38 CO 0.21 0.65 -0.62 -1.21 -0.57 0.00 0.00 179.45 177.91 3noo s GLU 39 N -5.85 0.56 0.74 3.15 0.41 -1.26 -3.79 118.70 112.67 3noo s GLU 39 Ca -0.11 -0.95 -0.12 0.00 -0.41 0.00 0.00 54.97 53.38 3noo s GLU 39 Cb 0.18 0.21 0.05 0.00 -1.78 0.00 0.00 34.13 32.78 3noo s GLU 39 CO 0.78 -0.12 1.12 -1.25 -0.49 0.00 0.00 175.26 175.30 3noo s PRO 40 N -3.06 2.29 0.00 0.39 0.04 -1.26 -4.77 135.00 128.63 3noo s PRO 40 Ca -0.01 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.38 3noo s PRO 40 Cb 0.02 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.67 3noo s PRO 40 CO -0.07 -1.64 0.00 0.41 0.04 0.00 0.00 177.00 175.74 3noo n GLY 41 N -0.64 0.90 3.76 0.56 0.00 -0.59 -4.92 105.19 104.25 3noo n GLY 41 Ca 0.10 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 3noo n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3noo s PRO 42 N -1.02 4.43 -0.05 1.61 0.04 -1.26 -0.72 135.00 138.03 3noo s PRO 42 Ca 0.00 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.15 3noo s PRO 42 Cb 0.00 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.45 3noo s PRO 42 CO 0.00 -0.09 -0.05 0.08 0.04 0.00 0.00 177.00 176.98 3noo s VAL 43 N -1.07 0.63 -0.24 -0.36 1.01 0.48 -4.90 120.40 115.96 3noo s VAL 43 Ca 0.48 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 3noo s VAL 43 Cb -0.38 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3noo s VAL 43 CO 0.49 0.25 0.36 -0.69 0.00 0.00 0.00 175.10 175.51 3noo s VAL 44 N 0.99 5.20 0.92 2.92 1.01 -1.26 -0.72 120.40 129.46 3noo s VAL 44 Ca -0.10 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 3noo s VAL 44 Cb -0.14 -3.69 0.14 0.00 0.00 0.00 0.00 36.38 32.69 3noo s VAL 44 CO -0.00 0.21 1.11 0.00 0.00 0.00 0.00 175.10 176.42 3noo s ALA 45 N 1.67 1.56 0.57 5.51 0.00 0.15 -0.58 121.76 130.65 3noo s ALA 45 Ca 0.16 -0.36 0.27 0.00 0.00 0.00 0.00 51.96 52.03 3noo s ALA 45 Cb -0.15 -3.09 1.72 0.00 0.00 0.00 0.00 23.12 21.60 3noo s ALA 45 CO 0.09 -2.38 2.24 0.66 0.00 0.00 0.00 175.76 176.36 3noo h SER 46 N -1.56 0.00 0.78 0.00 4.64 -0.90 -0.29 113.55 116.21 3noo h SER 46 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3noo h SER 46 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3noo h SER 46 CO 0.59 0.00 -0.15 -1.54 -0.87 0.00 0.00 176.83 174.86 3noo n SER 47 N -3.97 0.19 0.00 4.97 3.41 -1.26 -4.91 113.62 112.05 3noo n SER 47 Ca -0.03 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3noo n SER 47 Cb 0.09 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3noo n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3noo n GLY 48 N 1.47 1.21 3.75 5.00 0.00 -0.12 -5.06 105.19 111.44 3noo n GLY 48 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3noo n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3noo s LEU 49 N 0.00 4.35 -0.23 0.99 0.20 -1.26 -4.67 118.68 118.06 3noo s LEU 49 Ca 0.00 2.88 -0.10 0.00 0.69 0.00 0.00 54.13 57.61 3noo s LEU 49 Cb 0.00 -3.63 -0.05 0.00 -0.43 0.00 0.00 46.19 42.08 3noo s LEU 49 CO 0.00 -0.87 0.14 -0.69 -0.29 0.00 0.00 176.35 174.64 3noo s VAL 50 N 0.03 5.23 0.43 1.68 1.01 -1.26 -0.67 120.40 126.85 3noo s VAL 50 Ca 0.63 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.81 3noo s VAL 50 Cb -0.46 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 3noo s VAL 50 CO 0.46 0.37 0.35 -0.76 0.00 0.00 0.00 175.10 175.53 3noo s LEU 51 N 0.92 3.26 -0.21 3.92 1.43 0.10 -4.95 118.68 123.16 3noo s LEU 51 Ca 0.07 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 3noo s LEU 51 Cb -0.13 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.29 3noo s LEU 51 CO 0.03 -0.70 -0.07 -1.58 0.23 0.00 0.00 176.35 174.27 3noo s GLN 52 N -4.12 1.69 0.25 1.70 2.00 -1.26 -0.39 119.66 119.53 3noo s GLN 52 Ca 0.46 -0.82 -0.30 0.00 -2.00 0.00 0.00 55.36 52.70 3noo s GLN 52 Cb -0.02 -2.39 -0.09 0.00 0.80 0.00 0.00 33.01 31.31 3noo s GLN 52 CO 0.26 -0.50 1.22 0.00 -0.50 0.00 0.00 175.29 175.77 3noo s ALA 53 N 1.46 3.47 -0.11 1.58 0.00 0.10 -4.80 121.76 123.46 3noo s ALA 53 Ca -0.03 1.05 0.20 0.00 0.00 0.00 0.00 51.96 53.18 3noo s ALA 53 Cb -0.17 -3.42 -0.26 0.00 0.00 0.00 0.00 23.12 19.26 3noo s ALA 53 CO -0.07 -0.42 0.45 0.25 0.00 0.00 0.00 175.76 175.97 3noo n THR 54 N 1.80 0.59 -3.78 0.00 -2.24 0.81 -1.54 114.28 109.92 3noo n THR 54 Ca 0.02 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 61.04 3noo n THR 54 Cb 0.44 -0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.28 3noo n THR 54 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3noo s THR 55 N -3.14 -0.04 0.72 4.28 2.01 -1.01 -4.81 115.64 113.65 3noo s THR 55 Ca -0.07 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.95 3noo s THR 55 Cb 0.11 -0.20 0.02 0.00 0.01 0.00 0.00 72.50 72.44 3noo s THR 55 CO 0.87 0.05 1.09 -0.94 -0.69 0.00 0.00 174.62 175.00 3noo s SER 56 N 0.84 5.29 0.21 3.53 1.04 -1.26 -1.78 113.70 121.58 3noo s SER 56 Ca -0.07 1.21 -0.09 0.00 0.48 0.00 0.00 55.95 57.49 3noo s SER 56 Cb -0.09 -2.02 0.28 0.00 0.10 0.00 0.00 66.02 64.29 3noo s SER 56 CO -0.04 -1.45 1.76 -0.26 0.98 0.00 0.00 173.24 174.24 3noo h PHE 57 N -0.73 0.50 -0.81 5.02 0.04 -1.35 -1.44 116.94 118.18 3noo h PHE 57 Ca -0.45 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.32 3noo h PHE 57 Cb 1.25 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 39.23 3noo h PHE 57 CO 0.51 0.17 0.42 0.00 -0.60 0.00 0.00 178.31 178.81 3noo h ALA 58 N 1.40 1.22 -0.01 2.45 0.00 -1.88 -3.01 119.26 119.43 3noo h ALA 58 Ca 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3noo h ALA 58 Cb 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3noo h ALA 58 CO -0.27 0.62 -0.45 -0.25 0.00 0.00 0.00 179.25 178.90 3noo n ASP 59 N -4.33 1.26 -4.72 0.00 8.00 -1.03 -4.94 116.55 110.78 3noo n ASP 59 Ca 0.08 -1.01 -0.42 0.00 0.71 0.00 0.00 54.79 54.16 3noo n ASP 59 Cb 0.12 0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 3noo n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3noo s PRO 61 N 0.68 1.26 0.07 0.00 0.04 -1.26 -4.94 135.00 130.85 3noo s PRO 61 Ca 0.61 0.77 -0.32 0.00 0.04 0.00 0.00 61.00 62.09 3noo s PRO 61 Cb -0.36 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 3noo s PRO 61 CO 0.33 -2.22 1.83 -2.30 0.04 0.00 0.00 177.00 174.67 3noo n PRO 62 N -3.86 2.57 -3.35 0.56 -0.02 -1.26 -4.96 135.00 124.67 3noo n PRO 62 Ca 0.07 0.94 -0.38 0.00 -2.02 0.00 0.00 63.50 62.10 3noo n PRO 62 Cb 0.56 -2.81 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 3noo n PRO 62 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3noo s LEU 63 N 3.00 4.49 0.10 2.45 1.43 -1.26 -4.80 118.68 124.08 3noo s LEU 63 Ca 0.85 1.15 -0.06 0.00 -1.03 0.00 0.00 54.13 55.04 3noo s LEU 63 Cb -0.55 -2.83 -0.19 0.00 0.03 0.00 0.00 46.19 42.64 3noo s LEU 63 CO 0.41 0.28 1.22 0.44 0.23 0.00 0.00 176.35 178.92 3noo h ASP 64 N 4.49 0.54 -3.37 2.29 3.32 -0.98 -3.35 116.42 119.37 3noo h ASP 64 Ca -0.50 -0.49 -0.49 0.00 0.02 0.00 0.00 57.03 55.56 3noo h ASP 64 Cb 1.21 -0.17 -0.34 0.00 0.22 0.00 0.00 39.33 40.25 3noo h ASP 64 CO 0.63 1.33 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.99 3noo s VAL 65 N -3.00 0.96 -0.04 -1.35 1.01 -0.88 -0.97 120.40 116.13 3noo s VAL 65 Ca -0.06 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3noo s VAL 65 Cb 0.08 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 3noo s VAL 65 CO 0.88 0.33 -0.18 -0.51 0.00 0.00 0.00 175.10 175.62 3noo s ILE 66 N 1.00 2.73 -0.06 2.22 2.07 -0.80 -0.80 121.20 127.56 3noo s ILE 66 Ca -0.09 -0.85 -0.00 0.00 -1.41 0.00 0.00 60.65 58.30 3noo s ILE 66 Cb -0.15 -2.04 0.02 0.00 0.13 0.00 0.00 42.46 40.43 3noo s ILE 66 CO -0.00 0.59 -0.03 0.00 -1.91 0.00 0.00 174.94 173.58 3noo s ILE 68 N 1.41 4.72 0.92 0.00 -1.09 -0.31 -1.87 121.20 124.98 3noo s ILE 68 Ca -0.03 -0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 57.38 3noo s ILE 68 Cb -0.13 -3.66 0.15 0.00 -1.58 0.00 0.00 42.46 37.23 3noo s ILE 68 CO -0.03 -0.29 1.18 -2.16 -1.23 0.00 0.00 174.94 172.40 3noo s PRO 69 N 1.57 1.06 0.00 2.79 0.04 -1.26 -1.58 135.00 137.63 3noo s PRO 69 Ca 0.03 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.17 3noo s PRO 69 Cb -0.20 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3noo s PRO 69 CO 0.07 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.31 3noo n GLY 70 N -2.62 3.11 0.00 0.56 0.00 -0.92 -3.56 105.19 101.76 3noo n GLY 70 Ca 0.09 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3noo n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3noo n GLY 71 N 5.00 1.13 0.39 -0.02 0.00 -1.26 -0.68 105.19 109.75 3noo n GLY 71 Ca 0.00 -2.18 0.20 0.00 0.00 0.00 0.00 46.02 44.03 3noo n GLY 71 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3noo h THR 72 N 0.00 0.58 0.00 2.61 2.02 -1.83 -0.91 112.91 115.38 3noo h THR 72 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3noo h THR 72 Cb 0.00 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 3noo h THR 72 CO 0.00 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.59 3noo n GLY 73 N -1.43 -0.90 0.33 2.16 0.00 -0.49 -2.92 105.19 101.94 3noo n GLY 73 Ca 0.24 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.29 3noo n GLY 73 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3noo h VAL 74 N 0.00 1.12 -0.30 1.61 2.07 -1.44 -2.95 116.25 116.37 3noo h VAL 74 Ca 0.00 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.33 3noo h VAL 74 Cb 0.19 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3noo h VAL 74 CO 0.00 0.13 -0.01 1.23 0.02 0.00 0.00 177.57 178.94 3noo h GLY 75 N 0.71 0.29 0.98 2.17 0.00 -1.76 -1.08 103.07 104.38 3noo h GLY 75 Ca 0.20 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 3noo h GLY 75 CO -0.05 -0.07 0.21 0.00 0.00 0.00 0.00 176.54 176.63 3noo h ALA 76 N 1.26 0.69 -0.63 3.60 0.00 -1.77 -2.96 119.26 119.45 3noo h ALA 76 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3noo h ALA 76 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3noo h ALA 76 CO -0.25 0.30 0.42 -0.07 0.00 0.00 0.00 179.25 179.65 3noo h LEU 77 N 0.72 0.66 -0.57 0.00 3.38 -1.19 -1.86 115.31 116.44 3noo h LEU 77 Ca 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3noo h LEU 77 Cb 0.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3noo h LEU 77 CO -0.01 0.46 0.00 0.23 0.09 0.00 0.00 178.44 179.20 3noo n MET 78 N -4.46 0.09 -1.88 1.13 2.81 -0.48 -1.96 117.12 112.37 3noo n MET 78 Ca 0.07 0.46 -0.07 0.00 -1.81 0.00 0.00 57.70 56.35 3noo n MET 78 Cb 0.11 -1.72 0.07 0.00 -0.71 0.00 0.00 33.22 30.97 3noo n MET 78 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3noo n GLU 79 N -1.89 2.17 -3.84 0.03 1.02 -0.71 -4.80 120.64 112.61 3noo n GLU 79 Ca 0.01 -3.50 -0.34 0.00 -0.02 0.00 0.00 57.16 53.31 3noo n GLU 79 Cb 0.11 -1.63 -0.12 0.00 -0.02 0.00 0.00 31.44 29.77 3noo n GLU 79 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3noo s ASP 80 N -3.35 4.86 0.33 1.62 -1.08 -0.83 -4.99 116.67 113.22 3noo s ASP 80 Ca 0.39 -2.75 0.05 0.00 -0.52 0.00 0.00 52.55 49.72 3noo s ASP 80 Cb 0.37 -1.75 0.67 0.00 -1.46 0.00 0.00 42.92 40.76 3noo s ASP 80 CO -0.03 -0.34 1.89 -0.65 0.52 0.00 0.00 175.17 176.56 3noo h PRO 81 N 7.02 0.83 -0.07 4.34 0.11 -1.93 -0.86 132.00 141.44 3noo h PRO 81 Ca -0.05 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3noo h PRO 81 Cb 0.95 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 3noo h PRO 81 CO 0.68 0.55 0.04 0.37 -0.21 0.00 0.00 178.00 179.43 3noo h GLN 82 N 0.85 0.09 -0.54 1.05 4.15 -1.96 -0.38 115.11 118.38 3noo h GLN 82 Ca 0.41 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.78 3noo h GLN 82 Cb 0.44 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 3noo h GLN 82 CO -0.18 0.08 0.16 0.00 -1.93 0.00 0.00 178.83 176.97 3noo h ALA 83 N 1.00 0.70 -0.50 3.38 0.00 -1.74 -1.74 119.26 120.36 3noo h ALA 83 Ca 0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3noo h ALA 83 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3noo h ALA 83 CO -0.00 0.37 -0.08 -0.07 0.00 0.00 0.00 179.25 179.47 3noo h LEU 84 N 0.74 0.88 -0.55 0.00 3.38 -1.03 -1.43 115.31 117.31 3noo h LEU 84 Ca 0.17 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3noo h LEU 84 Cb 0.29 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3noo h LEU 84 CO -0.00 0.98 0.20 0.00 0.09 0.00 0.00 178.44 179.70 3noo h ALA 85 N 1.10 0.71 -0.32 1.53 0.00 -0.83 -1.15 119.26 120.31 3noo h ALA 85 Ca 0.14 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3noo h ALA 85 Cb 0.59 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3noo h ALA 85 CO 0.04 0.35 0.13 0.35 0.00 0.00 0.00 179.25 180.12 3noo h PHE 86 N 0.75 0.25 -0.74 0.00 3.57 -1.00 -0.04 116.94 119.73 3noo h PHE 86 Ca 0.18 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3noo h PHE 86 Cb 0.24 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3noo h PHE 86 CO 0.01 0.12 0.37 0.82 -2.23 0.00 0.00 178.31 177.40 3noo h ILE 87 N 0.29 1.24 -0.63 1.41 2.04 -1.05 -0.73 117.51 120.08 3noo h ILE 87 Ca 0.14 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 3noo h ILE 87 Cb 0.08 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 3noo h ILE 87 CO -0.12 0.27 0.27 0.03 0.00 0.00 0.00 178.15 178.61 3noo h ARG 88 N 1.03 0.93 -0.61 2.37 3.08 -0.83 0.79 114.38 121.13 3noo h ARG 88 Ca 0.25 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3noo h ARG 88 Cb 0.10 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3noo h ARG 88 CO -0.03 0.77 0.35 1.96 -1.07 0.00 0.00 179.97 181.95 3noo h GLN 89 N 0.88 0.84 -0.27 0.04 4.20 -0.51 -1.58 115.11 118.71 3noo h GLN 89 Ca 0.21 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 3noo h GLN 89 Cb 0.18 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3noo h GLN 89 CO -0.02 0.63 -0.33 1.96 -0.67 0.00 0.00 178.83 180.40 3noo h GLN 90 N 0.83 0.71 0.00 1.46 1.08 -0.93 -3.15 115.11 115.11 3noo h GLN 90 Ca 0.22 -0.39 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 3noo h GLN 90 Cb 0.02 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3noo h GLN 90 CO -0.04 1.01 -0.07 0.00 -0.95 0.00 0.00 178.83 178.78 3noo h ALA 91 N 0.69 1.61 -0.08 3.87 0.00 -0.55 -1.35 119.26 123.45 3noo h ALA 91 Ca 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3noo h ALA 91 Cb 0.91 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3noo h ALA 91 CO 0.08 0.09 -0.07 0.00 0.00 0.00 0.00 179.25 179.35 3noo h ALA 92 N 1.93 1.75 0.00 0.00 0.00 -1.25 -3.22 119.26 118.46 3noo h ALA 92 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3noo h ALA 92 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3noo h ALA 92 CO 0.01 0.19 -0.58 0.54 0.00 0.00 0.00 179.25 179.41 3noo n ARG 93 N -4.39 3.56 -2.12 0.00 1.74 -1.01 -5.06 116.66 109.36 3noo n ARG 93 Ca -0.02 -0.02 -0.38 0.00 -0.77 0.00 0.00 57.85 56.66 3noo n ARG 93 Cb 0.18 -0.87 -0.00 0.00 -1.02 0.00 0.00 32.46 30.75 3noo n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3noo s ALA 94 N -1.79 3.09 0.27 7.54 0.00 -0.54 -4.92 121.76 125.41 3noo s ALA 94 Ca 0.01 1.11 0.09 0.00 0.00 0.00 0.00 51.96 53.17 3noo s ALA 94 Cb 0.04 -3.45 0.35 0.00 0.00 0.00 0.00 23.12 20.06 3noo s ALA 94 CO 0.22 -0.79 1.61 -0.09 0.00 0.00 0.00 175.76 176.70 3noo h ARG 95 N 2.32 0.04 -3.94 0.00 2.43 -1.22 -3.44 114.38 110.57 3noo h ARG 95 Ca -0.49 -0.03 -0.31 0.00 -0.81 0.00 0.00 59.98 58.33 3noo h ARG 95 Cb 1.25 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 30.50 3noo h ARG 95 CO 0.61 0.64 -0.74 0.71 -1.51 0.00 0.00 179.97 179.67 3noo s TYR 96 N -3.65 0.32 -0.17 2.20 2.02 -0.39 -4.78 117.35 112.89 3noo s TYR 96 Ca -0.02 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.65 3noo s TYR 96 Cb 0.13 -0.29 0.01 0.00 -0.40 0.00 0.00 41.96 41.40 3noo s TYR 96 CO 0.77 -0.06 -0.18 0.08 -1.57 0.00 0.00 175.55 174.58 3noo s VAL 97 N 0.40 2.28 0.09 0.71 1.01 -0.61 -1.90 120.40 122.38 3noo s VAL 97 Ca -0.04 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 3noo s VAL 97 Cb -0.07 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3noo s VAL 97 CO -0.01 0.53 -0.02 0.42 0.00 0.00 0.00 175.10 176.02 3noo s THR 98 N 1.11 0.37 0.13 3.92 -4.23 -0.17 -1.41 115.64 115.37 3noo s THR 98 Ca 0.00 -1.88 -0.19 0.00 -1.18 0.00 0.00 61.69 58.45 3noo s THR 98 Cb -0.14 -1.71 0.05 0.00 1.34 0.00 0.00 72.50 72.03 3noo s THR 98 CO -0.07 -0.82 0.48 -0.94 -0.54 0.00 0.00 174.62 172.73 3noo s SER 99 N -3.00 -0.37 -0.03 3.99 1.04 -0.78 -1.16 113.70 113.39 3noo s SER 99 Ca 0.13 -0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.45 3noo s SER 99 Cb 0.07 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 3noo s SER 99 CO -0.05 -0.89 -0.21 -0.69 0.98 0.00 0.00 173.24 172.38 3noo s VAL 100 N -3.70 1.67 0.00 5.02 1.01 -0.61 -2.02 120.40 121.77 3noo s VAL 100 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3noo s VAL 100 Cb 0.01 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.98 3noo s VAL 100 CO -0.12 0.47 0.00 0.00 0.00 0.00 0.00 175.10 175.46 3noo n ALA 101 N 2.80 0.00 1.58 5.51 0.00 0.83 -0.93 120.51 130.29 3noo n ALA 101 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.34 3noo n ALA 101 Cb 0.53 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.37 3noo n ALA 101 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3noo n THR 102 N 0.00 0.00 0.16 0.00 -2.24 -1.26 -2.80 114.28 108.14 3noo n THR 102 Ca 0.00 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.94 3noo n THR 102 Cb 0.00 -0.37 0.75 0.00 -2.10 0.00 0.00 70.33 68.61 3noo n THR 102 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3noo h GLY 103 N 4.31 0.00 2.00 3.38 0.00 -1.09 -0.40 103.07 111.28 3noo h GLY 103 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3noo h GLY 103 CO 0.00 0.00 -0.20 1.48 0.00 0.00 0.00 176.54 177.82 3noo h SER 104 N 0.00 0.00 0.42 0.19 4.64 -1.71 -1.68 113.55 115.40 3noo h SER 104 Ca 0.11 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 3noo h SER 104 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3noo h SER 104 CO -0.00 0.20 -0.25 -0.07 -0.87 0.00 0.00 176.83 175.84 3noo h LEU 105 N 0.00 0.00 -0.09 5.97 3.38 -1.31 0.77 115.31 124.03 3noo h LEU 105 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3noo h LEU 105 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3noo h LEU 105 CO 0.03 0.25 -0.12 0.58 0.09 0.00 0.00 178.44 179.27 3noo h VAL 106 N 0.00 1.38 -0.81 1.22 2.07 -1.34 0.29 116.25 119.06 3noo h VAL 106 Ca -0.00 -1.33 0.13 0.00 0.82 0.00 0.00 66.70 66.32 3noo h VAL 106 Cb 0.52 2.06 -0.09 0.00 -1.52 0.00 0.00 31.29 32.26 3noo h VAL 106 CO 0.03 0.38 0.41 -0.07 0.02 0.00 0.00 177.57 178.34 3noo h LEU 107 N -0.21 0.51 0.14 2.57 3.38 -1.19 -1.06 115.31 119.45 3noo h LEU 107 Ca 0.01 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3noo h LEU 107 Cb 0.66 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3noo h LEU 107 CO 0.03 0.24 -0.08 1.23 0.09 0.00 0.00 178.44 179.95 3noo h GLY 108 N 0.62 -0.21 1.84 0.83 0.00 -0.65 -1.07 103.07 104.44 3noo h GLY 108 Ca 0.43 0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.87 3noo h GLY 108 CO -0.33 -0.08 0.06 0.00 0.00 0.00 0.00 176.54 176.18 3noo h ALA 109 N 0.66 2.03 0.00 3.60 0.00 -0.44 -0.52 119.26 124.59 3noo h ALA 109 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3noo h ALA 109 Cb 0.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3noo h ALA 109 CO 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.17 3noo n ALA 110 N -2.53 2.47 -0.68 0.00 0.00 -0.45 -4.90 120.51 114.41 3noo n ALA 110 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3noo n ALA 110 Cb 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3noo n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3noo n GLY 111 N 1.14 0.59 0.78 0.00 0.00 -0.20 -4.89 105.19 102.61 3noo n GLY 111 Ca 0.15 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.63 3noo n GLY 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3noo n LEU 112 N 0.00 2.57 -0.63 0.99 4.77 -0.44 -4.14 117.00 120.13 3noo n LEU 112 Ca 0.00 -0.87 0.06 0.00 -0.03 0.00 0.00 56.01 55.16 3noo n LEU 112 Cb 0.00 -0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.24 3noo n LEU 112 CO 0.00 0.44 0.63 0.18 -1.33 0.00 0.00 177.39 177.31 3noo n LEU 113 N 0.85 2.97 -4.63 2.23 4.77 -1.25 -4.90 117.00 117.04 3noo n LEU 113 Ca 0.13 -2.10 -0.43 0.00 -0.03 0.00 0.00 56.01 53.59 3noo n LEU 113 Cb 0.54 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3noo n LEU 113 CO 0.19 0.72 1.53 -1.10 -1.33 0.00 0.00 177.39 177.40 3noo s GLN 114 N -1.17 3.78 -0.40 3.23 -1.52 -1.26 -1.45 119.66 120.87 3noo s GLN 114 Ca 0.24 2.04 0.00 0.00 -1.95 0.00 0.00 55.36 55.69 3noo s GLN 114 Cb 0.14 -4.14 0.00 0.00 -0.22 0.00 0.00 33.01 28.79 3noo s GLN 114 CO 0.14 -1.34 0.00 0.41 -0.25 0.00 0.00 175.29 174.26 3noo n GLY 115 N 4.81 0.64 3.74 3.09 0.00 0.06 -4.96 105.19 112.56 3noo n GLY 115 Ca 0.21 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3noo n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3noo s LYS 116 N -1.67 3.15 0.14 1.61 -0.14 -0.53 -4.80 119.74 117.51 3noo s LYS 116 Ca 0.00 -0.32 -0.31 0.00 -1.36 0.00 0.00 55.97 53.98 3noo s LYS 116 Cb 0.00 -2.92 -0.08 0.00 -1.68 0.00 0.00 37.83 33.14 3noo s LYS 116 CO 0.00 0.71 1.37 1.03 -0.76 0.00 0.00 175.35 177.70 3noo s ARG 117 N -0.89 4.34 0.17 1.68 0.52 -1.26 -0.25 118.95 123.26 3noo s ARG 117 Ca 0.13 2.08 -0.22 0.00 -0.52 0.00 0.00 55.73 57.21 3noo s ARG 117 Cb -0.12 -3.23 0.06 0.00 0.52 0.00 0.00 34.95 32.19 3noo s ARG 117 CO 0.03 -0.39 0.58 0.00 0.02 0.00 0.00 175.30 175.54 3noo s ALA 118 N 0.79 -1.44 0.40 2.13 0.00 -0.61 -4.48 121.76 118.54 3noo s ALA 118 Ca 0.62 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.92 3noo s ALA 118 Cb -0.37 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 3noo s ALA 118 CO 0.33 -0.78 0.08 -0.08 0.00 0.00 0.00 175.76 175.31 3noo s THR 119 N -3.78 0.93 0.36 0.00 -1.32 -1.26 -1.36 115.64 109.21 3noo s THR 119 Ca 0.03 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.39 3noo s THR 119 Cb -0.01 -2.49 0.05 0.00 -1.51 0.00 0.00 72.50 68.53 3noo s THR 119 CO -0.10 0.00 0.68 1.07 -2.21 0.00 0.00 174.62 174.06 3noo n THR 120 N -0.89 0.00 -1.63 5.08 5.66 -1.26 -4.64 114.28 116.60 3noo n THR 120 Ca -0.07 -1.09 -0.46 0.00 -3.05 0.00 0.00 64.05 59.39 3noo n THR 120 Cb 0.66 0.95 -0.03 0.00 -1.55 0.00 0.00 70.33 70.36 3noo n THR 120 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 3noo n HIS 121 N -0.51 1.77 -0.17 1.09 -0.00 -1.25 -4.21 115.22 111.94 3noo n HIS 121 Ca -0.06 0.56 0.14 0.00 -0.00 0.00 0.00 57.72 58.36 3noo n HIS 121 Cb 0.56 -2.37 0.48 0.00 -0.00 0.00 0.00 29.99 28.66 3noo n HIS 121 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.34 176.45 3noo h TRP 122 N 3.43 0.54 0.00 1.57 5.08 -1.98 -0.73 115.95 123.86 3noo h TRP 122 Ca -0.44 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.55 3noo h TRP 122 Cb 1.31 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 27.29 3noo h TRP 122 CO 0.54 0.22 0.00 0.00 -1.28 0.00 0.00 178.44 177.91 3noo n ALA 123 N -2.50 1.95 -0.06 0.11 0.00 -1.26 -3.05 120.51 115.70 3noo n ALA 123 Ca 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.58 3noo n ALA 123 Cb 0.48 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.60 3noo n ALA 123 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3noo n TYR 124 N -1.87 0.13 0.21 0.00 4.01 -0.30 -4.79 117.16 114.55 3noo n TYR 124 Ca 0.04 -0.50 0.04 0.00 -0.16 0.00 0.00 57.90 57.33 3noo n TYR 124 Cb 0.28 -0.04 0.47 0.00 -0.31 0.00 0.00 39.34 39.73 3noo n TYR 124 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3noo h HIS 125 N 0.57 0.03 0.00 -0.72 2.76 -1.42 -0.67 115.15 115.69 3noo h HIS 125 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3noo h HIS 125 Cb 0.57 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.52 3noo h HIS 125 CO 0.07 0.23 0.00 -0.85 -1.30 0.00 0.00 177.93 176.08 3noo n GLU 126 N -4.28 0.03 0.00 5.26 0.28 -1.26 -2.34 120.64 118.33 3noo n GLU 126 Ca -0.02 0.41 0.13 0.00 -0.16 0.00 0.00 57.16 57.52 3noo n GLU 126 Cb 0.27 -1.58 0.42 0.00 1.43 0.00 0.00 31.44 31.99 3noo n GLU 126 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3noo n LEU 127 N -1.64 0.81 -0.03 -1.84 4.77 -0.26 -4.24 117.00 114.57 3noo n LEU 127 Ca 0.01 -0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 3noo n LEU 127 Cb 0.09 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 40.92 3noo n LEU 127 CO 0.08 0.16 0.57 -0.07 -1.33 0.00 0.00 177.39 176.79 3noo h LEU 128 N 0.88 0.11 -0.66 2.23 3.38 -1.63 -3.31 115.31 116.31 3noo h LEU 128 Ca 0.00 -0.58 0.04 0.00 0.09 0.00 0.00 57.88 57.42 3noo h LEU 128 Cb 0.47 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3noo h LEU 128 CO 0.00 0.68 0.40 0.00 0.09 0.00 0.00 178.44 179.60 3noo h ALA 129 N 0.44 0.87 -0.01 1.53 0.00 -1.74 -0.81 119.26 119.54 3noo h ALA 129 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3noo h ALA 129 Cb 0.66 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3noo h ALA 129 CO 0.02 0.14 0.03 -1.35 0.00 0.00 0.00 179.25 178.08 3noo h PRO 130 N 0.77 0.00 -0.41 0.00 0.11 -1.79 0.09 132.00 130.77 3noo h PRO 130 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3noo h PRO 130 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 3noo h PRO 130 CO -0.12 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.95 3noo n LEU 131 N -3.45 2.17 0.00 2.35 4.77 -0.35 -4.73 117.00 117.76 3noo n LEU 131 Ca -0.03 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 3noo n LEU 131 Cb 0.11 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3noo n LEU 131 CO 0.23 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3noo n GLY 132 N 1.15 0.79 3.82 -0.72 0.00 0.02 -4.13 105.19 106.11 3noo n GLY 132 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3noo n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3noo s ALA 133 N -2.45 2.62 -0.48 4.61 0.00 -0.92 -0.76 121.76 124.38 3noo s ALA 133 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 3noo s ALA 133 Cb 0.00 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 20.05 3noo s ALA 133 CO 0.00 -1.30 0.47 0.42 0.00 0.00 0.00 175.76 175.35 3noo s ILE 134 N -3.11 5.11 0.29 0.00 1.01 0.65 -4.07 121.20 121.08 3noo s ILE 134 Ca 0.58 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 3noo s ILE 134 Cb -0.14 -4.17 -0.10 0.00 0.01 0.00 0.00 42.46 38.06 3noo s ILE 134 CO 0.54 -0.64 1.27 -2.16 0.00 0.00 0.00 174.94 173.96 3noo s PRO 135 N 1.99 4.42 -0.05 2.79 0.04 -1.26 -1.58 135.00 141.35 3noo s PRO 135 Ca 0.08 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.23 3noo s PRO 135 Cb -0.22 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.22 3noo s PRO 135 CO 0.09 -0.13 -0.04 0.08 0.04 0.00 0.00 177.00 177.04 3noo s VAL 136 N -0.85 0.52 -1.16 -0.36 1.01 -0.46 -4.88 120.40 114.22 3noo s VAL 136 Ca 0.50 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 3noo s VAL 136 Cb -0.38 -0.56 0.24 0.00 0.00 0.00 0.00 36.38 35.68 3noo s VAL 136 CO 0.47 0.23 1.37 1.41 0.00 0.00 0.00 175.10 178.58 3noo n HIS 137 N 4.17 4.38 -4.05 5.22 8.25 -1.26 -4.30 115.22 127.63 3noo n HIS 137 Ca -0.23 -3.38 -0.07 0.00 -0.26 0.00 0.00 57.72 53.77 3noo n HIS 137 Cb 0.51 -1.80 -0.10 0.00 1.12 0.00 0.00 29.99 29.72 3noo n HIS 137 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3noo s GLU 138 N -0.51 0.62 0.14 -0.41 2.02 -1.26 -5.07 118.70 114.22 3noo s GLU 138 Ca 0.36 -1.12 -0.18 0.00 0.02 0.00 0.00 54.97 54.05 3noo s GLU 138 Cb -0.03 0.22 0.02 0.00 0.10 0.00 0.00 34.13 34.44 3noo s GLU 138 CO -0.01 -0.13 1.73 0.00 0.02 0.00 0.00 175.26 176.87 3noo h ARG 139 N 3.24 0.16 -3.88 1.61 3.08 -1.94 -3.41 114.38 113.23 3noo h ARG 139 Ca -0.34 -0.01 -0.40 0.00 0.07 0.00 0.00 59.98 59.31 3noo h ARG 139 Cb 1.15 -0.04 -0.35 0.00 0.08 0.00 0.00 29.97 30.82 3noo h ARG 139 CO 0.62 0.10 -0.76 0.08 -1.07 0.00 0.00 179.97 178.94 3noo s VAL 140 N -6.18 0.41 -0.13 2.04 1.01 -1.26 -3.03 120.40 113.26 3noo s VAL 140 Ca -0.13 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3noo s VAL 140 Cb 0.11 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 36.01 3noo s VAL 140 CO 0.70 0.21 -0.18 -0.69 0.00 0.00 0.00 175.10 175.14 3noo s VAL 141 N 1.14 2.54 -0.05 2.92 1.01 0.37 -4.98 120.40 123.35 3noo s VAL 141 Ca -0.08 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.13 3noo s VAL 141 Cb -0.14 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3noo s VAL 141 CO -0.01 0.54 -0.24 -0.60 0.00 0.00 0.00 175.10 174.78 3noo s ARG 142 N 0.51 2.51 -0.31 2.72 3.52 -1.26 -1.39 118.95 125.26 3noo s ARG 142 Ca -0.12 -0.89 -0.02 0.00 -0.13 0.00 0.00 55.73 54.57 3noo s ARG 142 Cb -0.16 -2.17 0.11 0.00 -1.56 0.00 0.00 34.95 31.16 3noo s ARG 142 CO 0.05 0.42 0.14 0.34 -0.81 0.00 0.00 175.30 175.43 3noo s ASP 143 N -0.24 3.59 1.77 -2.12 -1.08 -0.06 -4.94 116.67 113.58 3noo s ASP 143 Ca -0.01 -1.56 0.00 0.00 -0.52 0.00 0.00 52.55 50.46 3noo s ASP 143 Cb -0.13 -0.52 0.00 0.00 -1.46 0.00 0.00 42.92 40.81 3noo s ASP 143 CO 0.03 -0.41 0.00 0.61 0.52 0.00 0.00 175.17 175.92 3noo n GLY 144 N 4.91 3.25 0.74 2.66 0.00 -1.26 -1.63 105.19 113.86 3noo n GLY 144 Ca -0.02 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.94 3noo n GLY 144 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3noo n ASN 145 N 6.81 2.15 -4.66 1.61 6.94 -1.26 -4.86 115.26 122.00 3noo n ASN 145 Ca 0.00 -1.92 -0.38 0.00 -0.02 0.00 0.00 54.58 52.26 3noo n ASN 145 Cb 0.00 -0.23 -0.08 0.00 -2.36 0.00 0.00 39.78 37.11 3noo n ASN 145 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3noo s LEU 146 N -1.18 4.13 -0.12 -4.53 2.96 -0.64 -1.57 118.68 117.73 3noo s LEU 146 Ca 0.30 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3noo s LEU 146 Cb 0.16 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.40 3noo s LEU 146 CO 0.22 -0.09 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.28 3noo s LEU 147 N 1.43 1.57 0.01 -0.68 1.02 -0.50 -0.88 118.68 120.65 3noo s LEU 147 Ca 0.17 -0.40 0.07 0.00 0.02 0.00 0.00 54.13 53.99 3noo s LEU 147 Cb -0.15 -1.03 -0.02 0.00 0.02 0.00 0.00 46.19 45.01 3noo s LEU 147 CO 0.08 -0.04 -0.21 0.42 0.02 0.00 0.00 176.35 176.62 3noo s THR 148 N 1.29 1.70 0.00 5.49 -4.23 -0.48 -1.87 115.64 117.54 3noo s THR 148 Ca -0.01 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 3noo s THR 148 Cb -0.14 -1.45 -0.00 0.00 1.34 0.00 0.00 72.50 72.26 3noo s THR 148 CO -0.06 0.36 -0.01 -0.83 -0.54 0.00 0.00 174.62 173.54 3noo s GLY 149 N -0.83 0.07 0.07 3.99 0.00 -0.85 -0.48 107.32 109.29 3noo s GLY 149 Ca 0.08 -0.09 -0.06 0.00 0.00 0.00 0.00 44.72 44.66 3noo s GLY 149 CO 0.00 -0.08 1.12 -1.33 0.00 0.00 0.00 173.10 172.81 3noo h GLY 150 N 6.03 0.35 -1.50 0.20 0.00 -1.71 0.24 103.07 106.67 3noo h GLY 150 Ca -0.25 -0.89 -0.50 0.00 0.00 0.00 0.00 47.33 45.69 3noo h GLY 150 CO 0.50 0.78 0.40 -0.32 0.00 0.00 0.00 176.54 177.90 3noo s GLY 151 N -4.65 1.81 0.42 4.60 0.00 -1.26 -3.38 107.32 104.85 3noo s GLY 151 Ca -0.05 0.03 0.10 0.00 0.00 0.00 0.00 44.72 44.80 3noo s GLY 151 CO 0.89 0.30 2.00 1.19 0.00 0.00 0.00 173.10 177.48 3noo h ILE 152 N 0.10 1.12 -0.54 0.90 2.10 -1.97 -0.85 117.51 118.37 3noo h ILE 152 Ca -0.45 -0.47 0.00 0.00 1.08 0.00 0.00 64.86 65.02 3noo h ILE 152 Cb 1.19 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.89 3noo h ILE 152 CO 0.61 0.16 0.00 0.35 -1.08 0.00 0.00 178.15 178.19 3noo n THR 153 N -4.38 1.78 0.16 2.19 -2.24 -1.26 -3.84 114.28 106.68 3noo n THR 153 Ca -0.00 -1.28 0.06 0.00 -2.27 0.00 0.00 64.05 60.57 3noo n THR 153 Cb 0.18 0.13 0.55 0.00 -2.10 0.00 0.00 70.33 69.09 3noo n THR 153 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3noo h ALA 154 N 3.39 1.88 0.00 6.98 0.00 -1.49 -0.38 119.26 129.64 3noo h ALA 154 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3noo h ALA 154 Cb 1.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3noo h ALA 154 CO 0.19 0.11 -0.24 0.78 0.00 0.00 0.00 179.25 180.10 3noo h GLY 155 N 0.23 0.00 0.96 0.00 0.00 -1.81 -0.43 103.07 102.03 3noo h GLY 155 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 3noo h GLY 155 CO -0.01 0.00 0.18 -2.22 0.00 0.00 0.00 176.54 174.49 3noo h ILE 156 N 0.00 1.13 -0.01 2.60 2.04 -1.35 0.66 117.51 122.58 3noo h ILE 156 Ca -0.00 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3noo h ILE 156 Cb 0.44 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3noo h ILE 156 CO 0.03 0.13 -0.00 0.44 0.00 0.00 0.00 178.15 178.75 3noo h ASP 157 N 0.40 0.01 0.96 1.72 3.32 -1.39 -2.73 116.42 118.72 3noo h ASP 157 Ca 0.11 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.81 3noo h ASP 157 Cb 0.05 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3noo h ASP 157 CO -0.02 0.33 -0.19 2.19 -1.72 0.00 0.00 179.24 179.83 3noo h PHE 158 N -0.30 0.00 -0.77 4.55 -5.15 -1.11 -2.27 116.94 111.89 3noo h PHE 158 Ca 0.00 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 3noo h PHE 158 Cb 0.32 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.45 3noo h PHE 158 CO 0.03 0.19 0.51 0.00 -2.00 0.00 0.00 178.31 177.04 3noo h ALA 159 N 1.81 1.45 -0.44 12.09 0.00 -0.69 0.25 119.26 133.73 3noo h ALA 159 Ca -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3noo h ALA 159 Cb 0.72 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3noo h ALA 159 CO 0.02 0.51 -0.10 -0.07 0.00 0.00 0.00 179.25 179.61 3noo h LEU 160 N 1.05 0.77 -0.12 0.00 3.38 -1.10 0.92 115.31 120.21 3noo h LEU 160 Ca 0.28 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3noo h LEU 160 Cb -0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3noo h LEU 160 CO -0.06 0.90 0.06 0.74 0.09 0.00 0.00 178.44 180.17 3noo h THR 161 N 0.71 1.00 -0.74 0.22 2.02 -1.24 -1.68 112.91 113.21 3noo h THR 161 Ca 0.12 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.31 3noo h THR 161 Cb 0.58 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 3noo h THR 161 CO 0.04 0.02 0.44 -0.07 0.37 0.00 0.00 175.52 176.32 3noo h LEU 162 N 0.13 0.69 -0.72 2.58 3.38 -0.75 -1.69 115.31 118.93 3noo h LEU 162 Ca 0.05 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3noo h LEU 162 Cb 0.00 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3noo h LEU 162 CO -0.03 0.45 0.44 0.00 0.09 0.00 0.00 178.44 179.40 3noo h ALA 163 N 1.36 0.96 -0.45 1.53 0.00 -0.59 0.11 119.26 122.18 3noo h ALA 163 Ca 0.32 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 3noo h ALA 163 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3noo h ALA 163 CO -0.16 0.20 -0.04 0.00 0.00 0.00 0.00 179.25 179.25 3noo h ALA 164 N 1.33 1.09 0.18 0.00 0.00 -0.65 -0.95 119.26 120.25 3noo h ALA 164 Ca 0.30 -0.28 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 3noo h ALA 164 Cb 0.07 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.70 3noo h ALA 164 CO -0.13 0.57 -1.44 0.93 0.00 0.00 0.00 179.25 179.17 3noo h GLU 165 N 0.70 0.39 -0.21 0.00 5.08 -0.86 -2.84 114.58 116.84 3noo h GLU 165 Ca 0.13 -0.66 -0.13 0.00 -1.00 0.00 0.00 59.36 57.70 3noo h GLU 165 Cb 0.49 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3noo h GLU 165 CO 0.02 1.30 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.85 3noo h LEU 166 N 0.11 0.53 0.00 1.33 3.38 -0.77 -3.44 115.31 116.45 3noo h LEU 166 Ca -0.22 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3noo h LEU 166 Cb 2.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.67 3noo h LEU 166 CO 0.22 0.89 0.00 0.49 0.09 0.00 0.00 178.44 180.13 3noo n PHE 167 N -4.02 0.00 -3.77 1.13 3.72 -0.37 -5.09 117.46 109.06 3noo n PHE 167 Ca -0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.32 3noo n PHE 167 Cb 0.51 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 3noo n PHE 167 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3noo s ASP 168 N 0.81 -0.26 0.29 4.37 1.47 -1.07 -4.94 116.67 117.34 3noo s ASP 168 Ca 0.00 -0.46 -0.01 0.00 1.18 0.00 0.00 52.55 53.26 3noo s ASP 168 Cb 0.00 0.62 0.43 0.00 -0.34 0.00 0.00 42.92 43.63 3noo s ASP 168 CO 0.00 -1.13 1.86 0.00 0.68 0.00 0.00 175.17 176.57 3noo h ALA 169 N 2.00 1.27 -0.82 2.11 0.00 -1.87 -1.97 119.26 119.97 3noo h ALA 169 Ca -0.22 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3noo h ALA 169 Cb 1.25 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3noo h ALA 169 CO 0.25 0.53 0.54 0.00 0.00 0.00 0.00 179.25 180.58 3noo h ALA 170 N 1.38 1.43 -0.22 0.00 0.00 -1.96 -0.10 119.26 119.78 3noo h ALA 170 Ca 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3noo h ALA 170 Cb 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3noo h ALA 170 CO -0.01 0.53 -0.06 1.15 0.00 0.00 0.00 179.25 180.85 3noo h THR 171 N 1.10 1.29 -0.64 0.00 2.02 -1.75 -0.22 112.91 114.72 3noo h THR 171 Ca 0.30 -1.07 0.02 0.00 0.77 0.00 0.00 66.41 66.44 3noo h THR 171 Cb -0.11 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 3noo h THR 171 CO -0.07 0.33 0.40 0.00 0.37 0.00 0.00 175.52 176.55 3noo h ALA 172 N 0.74 0.82 -0.49 6.16 0.00 -1.08 -1.32 119.26 124.08 3noo h ALA 172 Ca 0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3noo h ALA 172 Cb 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3noo h ALA 172 CO 0.02 0.18 -0.10 1.96 0.00 0.00 0.00 179.25 181.31 3noo h GLN 173 N 0.81 0.91 -0.63 0.00 4.20 -0.92 -0.94 115.11 118.53 3noo h GLN 173 Ca 0.25 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3noo h GLN 173 Cb -0.03 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3noo h GLN 173 CO -0.08 0.96 0.36 -0.09 -0.67 0.00 0.00 178.83 179.31 3noo h ARG 174 N 0.81 0.88 -0.46 1.46 2.43 -0.62 0.03 114.38 118.91 3noo h ARG 174 Ca 0.13 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3noo h ARG 174 Cb 0.62 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3noo h ARG 174 CO 0.04 0.65 0.22 0.28 -1.51 0.00 0.00 179.97 179.66 3noo h VAL 175 N 0.86 1.18 -0.86 0.20 2.07 -1.00 0.11 116.25 118.82 3noo h VAL 175 Ca 0.22 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.26 3noo h VAL 175 Cb 0.02 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3noo h VAL 175 CO -0.04 0.20 0.55 -0.61 0.02 0.00 0.00 177.57 177.69 3noo h GLN 176 N 0.60 1.03 -0.17 1.57 4.15 -0.74 -0.62 115.11 120.94 3noo h GLN 176 Ca 0.16 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 3noo h GLN 176 Cb 0.12 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 3noo h GLN 176 CO -0.02 0.68 -0.28 1.25 -1.93 0.00 0.00 178.83 178.53 3noo h LEU 177 N 1.07 0.54 -1.08 -2.39 5.85 -0.70 -0.56 115.31 118.05 3noo h LEU 177 Ca 0.34 -0.53 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 3noo h LEU 177 Cb 0.02 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3noo h LEU 177 CO -0.12 0.97 0.22 1.56 -0.34 0.00 0.00 178.44 180.73 3noo h GLN 178 N 0.13 0.87 0.00 1.25 4.20 -0.48 -1.78 115.11 119.31 3noo h GLN 178 Ca 0.01 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3noo h GLN 178 Cb 0.86 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3noo h GLN 178 CO 0.06 0.73 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.80 3noo h LEU 179 N 0.86 0.00 -2.41 1.46 3.38 -1.13 -3.48 115.31 113.98 3noo h LEU 179 Ca 0.20 -0.02 -0.40 0.00 0.09 0.00 0.00 57.88 57.75 3noo h LEU 179 Cb 0.20 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.04 3noo h LEU 179 CO -0.01 0.01 -0.88 1.21 0.09 0.00 0.00 178.44 178.86 3noo n GLU 180 N -2.44 -3.06 -2.75 1.13 2.13 -0.32 -4.92 120.64 110.41 3noo n GLU 180 Ca 0.05 0.60 -0.42 0.00 0.66 0.00 0.00 57.16 58.04 3noo n GLU 180 Cb 0.46 -4.89 -0.04 0.00 0.27 0.00 0.00 31.44 27.24 3noo n GLU 180 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3noo s TYR 181 N -3.56 2.64 -0.42 4.31 5.04 -0.57 -4.89 117.35 119.91 3noo s TYR 181 Ca 0.25 -0.07 0.08 0.00 -2.44 0.00 0.00 57.07 54.89 3noo s TYR 181 Cb -0.07 -4.30 0.26 0.00 0.35 0.00 0.00 41.96 38.20 3noo s TYR 181 CO 0.82 -1.59 0.66 0.00 -1.34 0.00 0.00 175.55 174.10 3noo n ALA 182 N 8.02 1.31 -1.76 3.97 0.00 -1.26 -4.93 120.51 125.87 3noo n ALA 182 Ca 0.02 -2.83 -0.37 0.00 0.00 0.00 0.00 53.44 50.26 3noo n ALA 182 Cb 0.48 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 18.99 3noo n ALA 182 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3noo s PRO 183 N -0.78 3.16 -0.49 0.00 0.04 -1.26 -4.99 135.00 130.68 3noo s PRO 183 Ca 0.34 1.90 0.06 0.00 0.04 0.00 0.00 61.00 63.35 3noo s PRO 183 Cb 0.21 -2.09 0.21 0.00 0.04 0.00 0.00 34.50 32.86 3noo s PRO 183 CO -0.14 -1.07 0.72 0.00 0.04 0.00 0.00 177.00 176.54 3noo n ALA 184 N -1.25 -0.89 -1.77 8.56 0.00 -1.26 -5.15 120.51 118.76 3noo n ALA 184 Ca 0.12 -1.54 -0.39 0.00 0.00 0.00 0.00 53.44 51.62 3noo n ALA 184 Cb 0.48 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3noo n ALA 184 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3noo s PRO 185 N 0.58 3.84 0.00 0.00 0.02 -1.26 -4.92 135.00 133.26 3noo s PRO 185 Ca 0.31 2.20 0.29 0.00 0.02 0.00 0.00 61.00 63.83 3noo s PRO 185 Cb 0.08 -2.68 1.34 0.00 0.02 0.00 0.00 34.50 33.26 3noo s PRO 185 CO -0.13 -0.61 1.94 -0.35 -0.33 0.00 0.00 177.00 177.51 3noo n PRO 186 N -0.05 0.52 -4.30 5.54 -0.04 -1.26 -4.83 135.00 130.58 3noo n PRO 186 Ca 0.05 -0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.24 3noo n PRO 186 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 3noo n PRO 186 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3noo s PHE 187 N -2.55 1.44 -0.33 0.54 0.08 -1.26 -5.07 117.98 110.83 3noo s PHE 187 Ca 0.28 -0.88 0.06 0.00 0.12 0.00 0.00 56.93 56.51 3noo s PHE 187 Cb 0.20 -0.81 0.45 0.00 -0.57 0.00 0.00 43.02 42.30 3noo s PHE 187 CO 0.48 -0.02 1.22 -1.71 -0.10 0.00 0.00 175.22 175.08 3noo n ASN 188 N -0.34 5.02 -1.05 1.36 5.15 -1.26 -4.76 115.26 119.38 3noo n ASN 188 Ca -0.07 -3.75 0.03 0.00 -0.60 0.00 0.00 54.58 50.20 3noo n ASN 188 Cb 0.63 -0.38 0.24 0.00 -0.53 0.00 0.00 39.78 39.73 3noo n ASN 188 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3noo n ALA 189 N -0.69 3.54 1.52 5.20 0.00 -1.26 -3.96 120.51 124.86 3noo n ALA 189 Ca 0.44 -2.59 0.09 0.00 0.00 0.00 0.00 53.44 51.38 3noo n ALA 189 Cb 0.92 -0.76 0.40 0.00 0.00 0.00 0.00 19.45 20.00 3noo n ALA 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3noo n GLY 190 N -0.72 -0.22 3.09 0.00 0.00 -1.26 -4.62 105.19 101.46 3noo n GLY 190 Ca 0.27 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 3noo n GLY 190 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3noo s SER 191 N -1.49 1.46 0.00 1.61 0.15 -1.26 -5.01 113.70 109.16 3noo s SER 191 Ca 0.28 -0.29 0.10 0.00 0.70 0.00 0.00 55.95 56.74 3noo s SER 191 Cb 0.14 -0.14 0.43 0.00 -1.71 0.00 0.00 66.02 64.75 3noo s SER 191 CO 0.22 0.11 1.32 -0.81 1.20 0.00 0.00 173.24 175.28 3noo n PRO 192 N 2.49 0.00 0.14 5.44 -0.04 -1.26 -1.30 135.00 140.48 3noo n PRO 192 Ca -0.15 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 3noo n PRO 192 Cb 0.55 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.69 3noo n PRO 192 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3noo h ASP 193 N 0.00 0.00 0.00 3.54 3.32 -1.97 -3.39 116.42 117.92 3noo h ASP 193 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3noo h ASP 193 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3noo h ASP 193 CO 0.00 0.02 -0.74 0.35 -1.72 0.00 0.00 179.24 177.15 3noo n THR 194 N -2.65 0.00 -1.95 0.35 -2.24 -0.65 -5.04 114.28 102.10 3noo n THR 194 Ca 0.03 -0.15 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 3noo n THR 194 Cb 0.50 0.63 0.03 0.00 -2.10 0.00 0.00 70.33 69.39 3noo n THR 194 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3noo s ALA 195 N -1.76 2.59 0.65 6.98 0.00 -0.42 -4.70 121.76 125.11 3noo s ALA 195 Ca -0.00 0.57 -0.18 0.00 0.00 0.00 0.00 51.96 52.35 3noo s ALA 195 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3noo s ALA 195 CO 0.03 -1.03 1.15 -2.30 0.00 0.00 0.00 175.76 173.61 3noo n PRO 196 N -2.05 0.94 -0.28 0.00 -0.02 -1.26 -4.76 135.00 127.56 3noo n PRO 196 Ca 0.10 0.37 0.01 0.00 -2.02 0.00 0.00 63.50 61.96 3noo n PRO 196 Cb 0.52 -2.39 0.14 0.00 -0.02 0.00 0.00 33.50 31.75 3noo n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3noo h ALA 197 N 0.35 1.10 -0.28 3.55 0.00 -1.96 -0.62 119.26 121.40 3noo h ALA 197 Ca -0.50 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 3noo h ALA 197 Cb 1.35 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3noo h ALA 197 CO 0.51 0.15 -0.10 0.66 0.00 0.00 0.00 179.25 180.48 3noo h SER 198 N 0.83 0.44 -0.39 0.00 4.64 -1.99 -0.78 113.55 116.29 3noo h SER 198 Ca 0.36 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.44 3noo h SER 198 Cb 0.24 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3noo h SER 198 CO -0.20 0.58 -0.28 0.58 -0.87 0.00 0.00 176.83 176.64 3noo h VAL 199 N 0.43 1.28 -0.23 0.95 2.07 -1.56 0.39 116.25 119.57 3noo h VAL 199 Ca 0.08 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.18 3noo h VAL 199 Cb 0.44 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3noo h VAL 199 CO 0.02 0.48 0.13 0.58 0.02 0.00 0.00 177.57 178.81 3noo h VAL 200 N 0.70 1.03 -0.61 2.57 2.07 -0.74 0.45 116.25 121.71 3noo h VAL 200 Ca 0.08 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3noo h VAL 200 Cb 0.85 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3noo h VAL 200 CO 0.07 0.05 0.05 1.56 0.02 0.00 0.00 177.57 179.32 3noo h GLN 201 N 0.28 1.05 -0.50 1.57 4.20 -1.02 0.76 115.11 121.45 3noo h GLN 201 Ca 0.09 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.39 3noo h GLN 201 Cb -0.01 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3noo h GLN 201 CO -0.04 1.01 -0.08 1.96 -0.67 0.00 0.00 178.83 181.01 3noo h GLN 202 N 0.96 0.94 -0.58 1.46 4.20 -0.68 0.32 115.11 121.74 3noo h GLN 202 Ca 0.18 -0.34 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 3noo h GLN 202 Cb 0.50 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3noo h GLN 202 CO 0.02 1.00 0.05 0.00 -0.67 0.00 0.00 178.83 179.24 3noo h ALA 203 N 0.91 0.77 -0.55 3.87 0.00 -0.75 -1.07 119.26 122.45 3noo h ALA 203 Ca 0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3noo h ALA 203 Cb 0.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3noo h ALA 203 CO 0.04 0.56 0.20 -0.09 0.00 0.00 0.00 179.25 179.96 3noo h ARG 204 N 0.88 0.84 -0.85 0.00 2.43 -0.49 -1.20 114.38 115.99 3noo h ARG 204 Ca 0.17 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3noo h ARG 204 Cb 0.48 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 3noo h ARG 204 CO 0.02 0.74 0.56 0.37 -1.51 0.00 0.00 179.97 180.15 3noo h GLN 205 N 0.75 1.08 -0.08 0.20 -0.00 -0.14 -0.48 115.11 116.45 3noo h GLN 205 Ca 0.18 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.65 58.73 3noo h GLN 205 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 3noo h GLN 205 CO -0.01 0.71 -0.11 0.00 0.00 0.00 0.00 178.83 179.42 3noo h ARG 206 N 1.11 0.12 -0.01 1.69 3.08 -0.67 -2.37 114.38 117.33 3noo h ARG 206 Ca 0.33 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3noo h ARG 206 Cb -0.07 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3noo h ARG 206 CO -0.09 0.24 -0.13 0.00 -1.07 0.00 0.00 179.97 178.92 3noo n ALA 207 N -2.50 2.82 -0.18 0.04 0.00 -0.48 -4.52 120.51 115.68 3noo n ALA 207 Ca -0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 3noo n ALA 207 Cb 0.22 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.49 3noo n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3noo h ALA 208 N 3.94 0.72 -0.00 0.00 0.00 -0.58 0.18 119.26 123.51 3noo h ALA 208 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 3noo h ALA 208 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3noo h ALA 208 CO 0.00 0.61 -0.63 -0.44 0.00 0.00 0.00 179.25 178.78 3noo h ASP 209 N 0.85 0.02 -0.36 0.00 3.32 -1.79 0.74 116.42 119.20 3noo h ASP 209 Ca 0.14 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3noo h ASP 209 Cb 0.64 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3noo h ASP 209 CO 0.04 0.65 0.08 -1.28 -1.72 0.00 0.00 179.24 177.01 3noo h SER 210 N 0.01 0.55 -0.52 6.45 0.87 -1.70 -1.69 113.55 117.51 3noo h SER 210 Ca -0.01 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.30 3noo h SER 210 Cb 1.12 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 3noo h SER 210 CO 0.08 0.64 0.24 0.25 -0.53 0.00 0.00 176.83 177.51 3noo h LEU 211 N 0.43 0.70 -0.24 2.23 5.85 -0.39 0.58 115.31 124.48 3noo h LEU 211 Ca 0.11 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3noo h LEU 211 Cb 0.31 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3noo h LEU 211 CO 0.00 0.65 0.05 -0.74 -0.34 0.00 0.00 178.44 178.06 3noo h HIS 212 N 0.70 0.09 -0.37 1.25 2.76 -0.59 0.79 115.15 119.79 3noo h HIS 212 Ca 0.18 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 3noo h HIS 212 Cb 0.14 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 3noo h HIS 212 CO -0.00 0.03 0.07 -0.22 -1.30 0.00 0.00 177.93 176.51 3noo h LYS 213 N 0.15 0.60 -0.18 5.26 3.64 -1.11 -2.31 116.57 122.61 3noo h LYS 213 Ca 0.11 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3noo h LYS 213 Cb 0.10 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3noo h LYS 213 CO -0.14 0.65 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.53 3noo h ARG 214 N 0.45 0.28 -0.18 1.90 9.65 0.91 0.02 114.38 127.42 3noo h ARG 214 Ca 0.11 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 3noo h ARG 214 Cb 0.34 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 3noo h ARG 214 CO 0.00 0.37 0.07 -0.09 2.80 0.00 0.00 179.97 183.13 3noo h ARG 215 N 0.27 0.26 -0.48 0.20 2.43 0.77 0.22 114.38 118.05 3noo h ARG 215 Ca 0.06 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3noo h ARG 215 Cb 0.31 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 3noo h ARG 215 CO 0.01 0.34 0.24 0.93 -1.51 0.00 0.00 179.97 179.98 3noo h GLU 216 N 0.13 0.46 -0.63 0.20 5.08 -0.76 0.44 114.58 119.50 3noo h GLU 216 Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3noo h GLU 216 Cb 0.17 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3noo h GLU 216 CO -0.01 0.30 0.31 0.82 -1.00 0.00 0.00 179.01 179.44 3noo h ILE 217 N 0.47 1.21 -0.49 3.13 2.04 -0.83 -2.17 117.51 120.87 3noo h ILE 217 Ca 0.21 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3noo h ILE 217 Cb 0.12 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3noo h ILE 217 CO -0.15 0.24 0.27 0.74 0.00 0.00 0.00 178.15 179.25 3noo h THR 218 N 0.86 1.17 -0.27 -0.27 2.02 0.17 0.44 112.91 117.03 3noo h THR 218 Ca 0.22 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 3noo h THR 218 Cb 0.09 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3noo h THR 218 CO -0.03 0.17 -0.20 -0.07 0.37 0.00 0.00 175.52 175.76 3noo h LEU 219 N 0.65 0.48 -0.24 2.58 3.38 -0.69 0.50 115.31 121.96 3noo h LEU 219 Ca 0.17 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3noo h LEU 219 Cb 0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3noo h LEU 219 CO -0.03 0.69 0.08 0.03 0.09 0.00 0.00 178.44 179.30 3noo h ARG 220 N 0.44 0.38 -0.69 1.13 3.08 -1.01 -1.12 114.38 116.58 3noo h ARG 220 Ca 0.07 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.07 3noo h ARG 220 Cb 0.60 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 3noo h ARG 220 CO 0.04 0.45 0.44 0.00 -1.07 0.00 0.00 179.97 179.83 3noo h ALA 221 N 0.91 0.90 -0.65 0.04 0.00 -0.45 0.40 119.26 120.41 3noo h ALA 221 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3noo h ALA 221 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3noo h ALA 221 CO -0.00 0.22 0.26 0.00 0.00 0.00 0.00 179.25 179.74 3noo h ALA 222 N 1.29 0.84 -0.36 0.00 0.00 -0.82 -1.30 119.26 118.90 3noo h ALA 222 Ca 0.27 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3noo h ALA 222 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3noo h ALA 222 CO -0.10 0.45 -0.16 0.00 0.00 0.00 0.00 179.25 179.45 3noo h ALA 223 N 1.11 1.05 -0.68 0.00 0.00 -0.65 -0.35 119.26 119.74 3noo h ALA 223 Ca 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3noo h ALA 223 Cb 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3noo h ALA 223 CO -0.02 0.57 0.29 0.00 0.00 0.00 0.00 179.25 180.10 3noo h ARG 224 N 0.59 1.00 -0.91 0.00 3.08 -0.59 -2.50 114.38 115.06 3noo h ARG 224 Ca 0.10 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3noo h ARG 224 Cb 0.61 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 3noo h ARG 224 CO 0.04 0.82 0.59 -0.07 -1.07 0.00 0.00 179.97 180.28 3noo h LEU 225 N 0.96 1.06 -1.58 3.04 3.38 -0.45 -2.33 115.31 119.38 3noo h LEU 225 Ca 0.23 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3noo h LEU 225 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3noo h LEU 225 CO -0.02 0.78 -0.21 0.00 0.09 0.00 0.00 178.44 179.07 3noo h ALA 226 N 1.41 1.63 0.00 1.53 0.00 -0.76 -1.71 119.26 121.35 3noo h ALA 226 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3noo h ALA 226 Cb -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3noo h ALA 226 CO -0.07 0.27 -0.02 0.00 0.00 0.00 0.00 179.25 179.43 3noo h ALA 227 N 1.79 0.99 0.00 0.00 0.00 -0.99 -3.51 119.26 117.53 3noo h ALA 227 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3noo h ALA 227 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3noo h ALA 227 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69