#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oag s LYS 3 N 0.00 3.49 -0.32 1.61 -0.14 -1.26 -4.61 119.74 118.51 1oag s LYS 3 Ca 0.00 -0.22 0.02 0.00 -1.36 0.00 0.00 55.97 54.41 1oag s LYS 3 Cb 0.00 -3.13 0.10 0.00 -1.68 0.00 0.00 37.83 33.11 1oag s LYS 3 CO 0.00 0.65 0.06 0.45 -0.76 0.00 0.00 175.35 175.76 1oag s SER 4 N -0.68 4.44 0.32 2.83 0.15 0.23 -5.02 113.70 115.97 1oag s SER 4 Ca 0.12 -1.91 -0.27 0.00 0.70 0.00 0.00 55.95 54.59 1oag s SER 4 Cb -0.12 -1.31 -0.09 0.00 -1.71 0.00 0.00 66.02 62.79 1oag s SER 4 CO 0.02 -0.39 1.00 -0.31 1.20 0.00 0.00 173.24 174.76 1oag s TYR 5 N 1.20 3.62 0.63 3.44 2.02 -1.26 -4.60 117.35 122.40 1oag s TYR 5 Ca 0.10 1.76 -0.15 0.00 -0.37 0.00 0.00 57.07 58.41 1oag s TYR 5 Cb -0.18 -3.05 -0.02 0.00 -0.40 0.00 0.00 41.96 38.31 1oag s TYR 5 CO -0.15 -0.09 1.07 -1.25 -1.57 0.00 0.00 175.55 173.56 1oag s PRO 6 N -1.91 3.12 0.15 -1.71 0.04 -1.26 -5.01 135.00 128.42 1oag s PRO 6 Ca 0.49 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 1oag s PRO 6 Cb -0.23 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 1oag s PRO 6 CO 0.29 -0.97 1.10 0.99 0.04 0.00 0.00 177.00 178.45 1oag s THR 7 N -2.54 3.97 0.23 1.26 2.01 -1.26 -4.88 115.64 114.42 1oag s THR 7 Ca 0.63 1.63 0.10 0.00 0.31 0.00 0.00 61.69 64.36 1oag s THR 7 Cb -0.17 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 1oag s THR 7 CO 0.41 0.25 -0.17 0.68 -0.69 0.00 0.00 174.62 175.10 1oag s VAL 8 N 0.03 2.05 0.80 3.82 -7.23 -1.26 -5.03 120.40 113.57 1oag s VAL 8 Ca 0.51 -2.26 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 1oag s VAL 8 Cb -0.29 -2.13 0.07 0.00 0.56 0.00 0.00 36.38 34.60 1oag s VAL 8 CO 0.33 -0.49 1.09 -0.94 -0.31 0.00 0.00 175.10 174.79 1oag s SER 9 N -3.32 4.25 0.27 4.85 1.04 -1.26 -4.82 113.70 114.71 1oag s SER 9 Ca 0.25 1.77 -0.00 0.00 0.48 0.00 0.00 55.95 58.45 1oag s SER 9 Cb -0.03 -2.46 0.51 0.00 0.10 0.00 0.00 66.02 64.14 1oag s SER 9 CO 0.10 -2.19 1.83 0.00 0.98 0.00 0.00 173.24 173.96 1oag h ALA 10 N -1.24 1.41 -0.39 5.32 0.00 -2.01 -1.60 119.26 120.75 1oag h ALA 10 Ca -0.45 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1oag h ALA 10 Cb 1.24 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1oag h ALA 10 CO 0.52 0.18 0.01 -0.44 0.00 0.00 0.00 179.25 179.52 1oag h ASP 11 N 0.93 0.58 -0.30 0.00 3.32 -1.99 -0.29 116.42 118.67 1oag h ASP 11 Ca 0.47 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1oag h ASP 11 Cb 0.46 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1oag h ASP 11 CO -0.26 0.64 0.10 0.22 -1.72 0.00 0.00 179.24 178.22 1oag h TYR 12 N 0.59 0.47 -0.21 4.55 5.03 -1.67 -1.88 116.97 123.85 1oag h TYR 12 Ca 0.12 -0.05 -0.10 0.00 2.58 0.00 0.00 58.73 61.29 1oag h TYR 12 Cb 0.35 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 1oag h TYR 12 CO 0.01 0.49 -0.31 0.37 -1.32 0.00 0.00 178.16 177.40 1oag h GLN 13 N 0.32 0.42 -0.52 1.82 -0.00 -0.92 -1.25 115.11 114.98 1oag h GLN 13 Ca 0.10 -0.17 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1oag h GLN 13 Cb 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.67 1oag h GLN 13 CO -0.00 0.69 0.33 -0.22 0.00 0.00 0.00 178.83 179.63 1oag h LYS 14 N 0.37 0.69 -0.32 1.69 1.63 -0.91 -2.12 116.57 117.60 1oag h LYS 14 Ca 0.05 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 1oag h LYS 14 Cb 0.73 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 1oag h LYS 14 CO 0.06 0.48 -0.08 0.00 -3.45 0.00 0.00 179.45 176.46 1oag h ALA 15 N 1.17 1.27 -0.53 5.00 0.00 -0.78 -1.21 119.26 124.19 1oag h ALA 15 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1oag h ALA 15 Cb -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1oag h ALA 15 CO -0.04 0.48 0.34 0.28 0.00 0.00 0.00 179.25 180.31 1oag h VAL 16 N 0.49 1.15 -0.39 0.00 2.07 -0.84 0.17 116.25 118.91 1oag h VAL 16 Ca 0.10 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 1oag h VAL 16 Cb 0.44 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1oag h VAL 16 CO 0.02 0.15 -0.20 -0.33 0.02 0.00 0.00 177.57 177.23 1oag h GLU 17 N 0.72 0.82 -0.34 1.57 4.39 -1.07 0.49 114.58 121.17 1oag h GLU 17 Ca 0.19 -0.37 -0.16 0.00 0.34 0.00 0.00 59.36 59.36 1oag h GLU 17 Cb -0.05 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1oag h GLU 17 CO -0.04 1.00 -0.43 -0.22 -1.16 0.00 0.00 179.01 178.16 1oag h LYS 18 N 0.63 0.87 -0.82 2.33 1.63 -1.10 -2.82 116.57 117.30 1oag h LYS 18 Ca 0.09 -0.48 -0.03 0.00 -0.85 0.00 0.00 60.65 59.37 1oag h LYS 18 Cb 0.76 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.38 1oag h LYS 18 CO 0.06 1.13 0.38 0.00 -3.45 0.00 0.00 179.45 177.56 1oag h ALA 19 N 0.80 1.06 -0.53 5.00 0.00 -0.46 -1.76 119.26 123.36 1oag h ALA 19 Ca 0.05 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1oag h ALA 19 Cb 1.02 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1oag h ALA 19 CO 0.10 0.64 0.27 -0.22 0.00 0.00 0.00 179.25 180.03 1oag h LYS 20 N 1.17 0.50 -0.18 0.00 3.64 -0.77 0.24 116.57 121.17 1oag h LYS 20 Ca 0.28 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1oag h LYS 20 Cb 0.14 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1oag h LYS 20 CO -0.03 0.33 0.02 0.87 -2.27 0.00 0.00 179.45 178.37 1oag h LYS 21 N 0.51 0.30 -0.92 1.90 1.57 -1.24 -1.67 116.57 117.02 1oag h LYS 21 Ca 0.24 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1oag h LYS 21 Cb 0.16 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1oag h LYS 21 CO -0.17 0.47 0.61 0.87 -0.57 0.00 0.00 179.45 180.65 1oag h LYS 22 N 0.08 1.20 -0.57 3.15 1.79 -1.09 -2.10 116.57 119.03 1oag h LYS 22 Ca 0.05 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1oag h LYS 22 Cb 0.32 -0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 1oag h LYS 22 CO 0.00 0.79 0.16 -0.07 -1.08 0.00 0.00 179.45 179.25 1oag h LEU 23 N 1.24 0.81 0.53 2.94 3.38 -0.35 -1.31 115.31 122.55 1oag h LEU 23 Ca 0.34 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1oag h LEU 23 Cb -0.13 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.41 1oag h LEU 23 CO -0.08 0.78 -0.26 0.03 0.09 0.00 0.00 178.44 179.00 1oag h ARG 24 N 0.84 -0.69 -0.44 1.13 3.08 -0.62 -0.18 114.38 117.49 1oag h ARG 24 Ca 0.19 0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.31 1oag h ARG 24 Cb 0.28 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1oag h ARG 24 CO -0.00 -0.46 0.24 0.78 -1.07 0.00 0.00 179.97 179.46 1oag h GLY 25 N -0.72 0.61 0.83 0.04 0.00 -1.33 -1.15 103.07 101.35 1oag h GLY 25 Ca -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1oag h GLY 25 CO 0.11 0.14 0.03 -2.75 0.00 0.00 0.00 176.54 174.07 1oag h PHE 26 N 0.48 0.14 -0.50 5.60 3.57 -1.14 -0.69 116.94 124.41 1oag h PHE 26 Ca 0.18 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1oag h PHE 26 Cb 0.05 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1oag h PHE 26 CO -0.08 0.29 0.13 0.82 -2.23 0.00 0.00 178.31 177.23 1oag h ILE 27 N -0.04 1.24 -0.34 1.41 2.04 -0.93 -0.70 117.51 120.19 1oag h ILE 27 Ca 0.03 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1oag h ILE 27 Cb 0.21 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1oag h ILE 27 CO -0.00 0.30 0.15 0.00 0.00 0.00 0.00 178.15 178.60 1oag h ALA 28 N 1.00 0.44 -0.69 1.87 0.00 -1.16 -1.87 119.26 118.85 1oag h ALA 28 Ca 0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1oag h ALA 28 Cb 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1oag h ALA 28 CO -0.00 0.03 0.23 1.49 0.00 0.00 0.00 179.25 181.00 1oag h GLU 29 N 0.40 1.06 -0.00 0.00 4.22 -0.92 -2.97 114.58 116.37 1oag h GLU 29 Ca 0.11 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1oag h GLU 29 Cb 0.16 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1oag h GLU 29 CO -0.01 0.91 -0.20 1.17 -2.18 0.00 0.00 179.01 178.69 1oag n LYS 30 N -4.33 0.24 -2.94 1.92 3.00 -0.29 -4.93 118.16 110.84 1oag n LYS 30 Ca 0.05 -0.09 -0.22 0.00 -0.00 0.00 0.00 58.31 58.05 1oag n LYS 30 Cb 0.21 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 33.76 1oag n LYS 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1oag n ARG 31 N -1.30 -4.12 -0.59 1.64 1.74 -0.72 -4.90 116.66 108.41 1oag n ARG 31 Ca 0.09 0.86 0.03 0.00 -0.77 0.00 0.00 57.85 58.07 1oag n ARG 31 Cb 0.32 -5.67 0.24 0.00 -1.02 0.00 0.00 32.46 26.33 1oag n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oag h ALA 33 N 1.56 0.67 -0.58 0.00 0.00 -1.91 -1.79 119.26 117.21 1oag h ALA 33 Ca 0.09 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1oag h ALA 33 Cb 1.58 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1oag h ALA 33 CO 0.32 -0.12 0.35 -1.35 0.00 0.00 0.00 179.25 178.44 1oag h PRO 34 N 0.47 0.79 -0.78 0.00 0.11 -1.89 -0.20 132.00 130.49 1oag h PRO 34 Ca 0.24 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1oag h PRO 34 Cb 0.20 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.10 1oag h PRO 34 CO -0.20 0.57 0.45 1.25 -0.21 0.00 0.00 178.00 179.86 1oag h LEU 35 N 0.79 0.95 -0.57 2.35 5.85 -1.82 -0.48 115.31 122.38 1oag h LEU 35 Ca 0.21 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 1oag h LEU 35 Cb -0.02 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1oag h LEU 35 CO -0.04 0.74 -0.52 0.24 -0.34 0.00 0.00 178.44 178.52 1oag h MET 36 N 1.08 0.53 -0.26 1.25 2.86 -0.83 -0.20 114.93 119.37 1oag h MET 36 Ca 0.28 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1oag h MET 36 Cb -0.02 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1oag h MET 36 CO -0.05 0.92 0.13 1.25 1.06 0.00 0.00 176.91 180.22 1oag h LEU 37 N 0.42 0.33 -1.03 1.22 5.85 -0.63 -1.36 115.31 120.10 1oag h LEU 37 Ca 0.01 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1oag h LEU 37 Cb 1.04 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1oag h LEU 37 CO 0.10 0.34 0.65 -0.09 -0.34 0.00 0.00 178.44 179.10 1oag h ARG 38 N 0.29 1.28 -0.45 1.25 2.43 -0.92 -0.31 114.38 117.94 1oag h ARG 38 Ca 0.09 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1oag h ARG 38 Cb 0.09 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 1oag h ARG 38 CO -0.01 0.84 0.22 1.25 -1.51 0.00 0.00 179.97 180.77 1oag h LEU 39 N 1.31 0.58 -0.68 3.80 5.85 -0.75 0.99 115.31 126.42 1oag h LEU 39 Ca 0.37 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 1oag h LEU 39 Cb -0.11 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1oag h LEU 39 CO -0.09 0.54 0.15 0.00 -0.34 0.00 0.00 178.44 178.70 1oag h ALA 40 N 1.07 0.90 -0.18 1.25 0.00 -0.91 -1.82 119.26 119.57 1oag h ALA 40 Ca 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1oag h ALA 40 Cb 0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1oag h ALA 40 CO -0.02 0.63 -0.09 2.35 0.00 0.00 0.00 179.25 182.12 1oag h TRP 41 N 1.02 0.43 0.00 0.00 -0.00 -0.82 -2.16 115.95 114.42 1oag h TRP 41 Ca 0.21 -0.11 -0.03 0.00 -0.00 0.00 0.00 58.89 58.96 1oag h TRP 41 Cb 0.38 -0.10 -0.00 0.00 -0.00 0.00 0.00 29.16 29.44 1oag h TRP 41 CO 0.03 0.68 -0.16 0.45 -0.00 0.00 0.00 178.44 179.44 1oag h HIS 42 N 0.06 0.00 -0.18 2.65 3.86 -0.80 0.23 115.15 120.96 1oag h HIS 42 Ca 0.04 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1oag h HIS 42 Cb 0.57 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1oag h HIS 42 CO 0.06 0.16 -0.04 0.77 0.86 0.00 0.00 177.93 179.74 1oag h SER 43 N 0.00 0.35 0.84 2.45 0.02 -1.19 -3.33 113.55 112.68 1oag h SER 43 Ca -0.00 -0.37 -0.24 0.00 -0.84 0.00 0.00 61.79 60.34 1oag h SER 43 Cb 0.52 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1oag h SER 43 CO 0.02 0.63 -1.22 0.00 -1.14 0.00 0.00 176.83 175.12 1oag h ALA 44 N 0.72 0.47 0.00 3.77 0.00 -0.83 -3.17 119.26 120.22 1oag h ALA 44 Ca 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1oag h ALA 44 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1oag h ALA 44 CO 0.02 1.34 0.00 0.41 0.00 0.00 0.00 179.25 181.02 1oag n GLY 45 N 1.42 -1.07 0.14 0.00 0.00 0.74 -2.35 105.19 104.08 1oag n GLY 45 Ca -0.05 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1oag n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oag n THR 46 N -1.22 0.01 -2.15 2.61 -2.24 -1.26 -4.64 114.28 105.40 1oag n THR 46 Ca 0.14 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 1oag n THR 46 Cb 0.18 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 1oag n THR 46 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1oag s PHE 47 N -1.99 3.21 -0.26 4.78 5.36 -0.99 -4.02 117.98 124.07 1oag s PHE 47 Ca 0.42 1.03 -0.01 0.00 -0.96 0.00 0.00 56.93 57.41 1oag s PHE 47 Cb 0.20 -3.69 0.04 0.00 -0.34 0.00 0.00 43.02 39.23 1oag s PHE 47 CO 0.33 -2.33 -0.06 0.34 -1.46 0.00 0.00 175.22 172.04 1oag s ASP 48 N 0.75 4.42 0.33 6.13 2.15 -0.17 -3.07 116.67 127.21 1oag s ASP 48 Ca 0.62 -1.05 0.06 0.00 0.43 0.00 0.00 52.55 52.61 1oag s ASP 48 Cb -0.38 -1.65 0.60 0.00 -0.30 0.00 0.00 42.92 41.19 1oag s ASP 48 CO 0.35 -0.16 1.82 0.07 -0.17 0.00 0.00 175.17 177.07 1oag h LYS 49 N 7.97 0.36 -0.23 4.34 2.10 -1.00 0.27 116.57 130.38 1oag h LYS 49 Ca -0.28 -0.11 -0.09 0.00 -2.00 0.00 0.00 60.65 58.17 1oag h LYS 49 Cb 1.09 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 1oag h LYS 49 CO 0.55 0.53 -0.25 0.78 -2.00 0.00 0.00 179.45 179.06 1oag h GLY 50 N 0.92 0.46 -0.03 0.07 0.00 -1.85 -3.16 103.07 99.48 1oag h GLY 50 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1oag h GLY 50 CO 0.03 0.34 -0.50 -1.30 0.00 0.00 0.00 176.54 175.11 1oag n THR 51 N -4.13 0.00 -3.09 4.70 -2.24 -1.12 -5.00 114.28 103.40 1oag n THR 51 Ca -0.00 -0.25 -0.23 0.00 -2.27 0.00 0.00 64.05 61.30 1oag n THR 51 Cb 0.40 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.68 1oag n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1oag n LYS 52 N -1.20 -5.33 -4.20 -0.78 5.02 0.94 -5.01 118.16 107.61 1oag n LYS 52 Ca 0.02 0.90 -0.22 0.00 -2.02 0.00 0.00 58.31 56.99 1oag n LYS 52 Cb 0.17 -5.79 -0.06 0.00 -0.02 0.00 0.00 35.03 29.34 1oag n LYS 52 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1oag s THR 53 N -3.20 3.99 0.00 -0.18 -4.23 -1.15 -4.95 115.64 105.92 1oag s THR 53 Ca 0.34 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1oag s THR 53 Cb -0.15 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1oag s THR 53 CO 0.42 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1oag n GLY 54 N -1.04 -0.94 0.63 3.99 0.00 -1.26 -1.00 105.19 105.57 1oag n GLY 54 Ca -0.07 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1oag n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oag n GLY 55 N 0.00 -2.83 2.71 -0.02 0.00 -1.25 -4.62 105.19 99.17 1oag n GLY 55 Ca 0.00 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 1oag n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1oag n PRO 56 N -0.08 2.82 -1.33 1.61 -0.04 -1.20 -4.55 135.00 132.23 1oag n PRO 56 Ca 0.00 -2.47 -0.00 0.00 -0.04 0.00 0.00 63.50 60.99 1oag n PRO 56 Cb 0.00 -3.18 0.11 0.00 -0.04 0.00 0.00 33.50 30.38 1oag n PRO 56 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1oag n PHE 57 N 5.89 0.60 -0.67 0.54 3.72 -1.26 -4.73 117.46 121.55 1oag n PHE 57 Ca 0.55 -1.41 0.00 0.00 -0.05 0.00 0.00 57.45 56.54 1oag n PHE 57 Cb 0.37 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1oag n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1oag n GLY 58 N -0.54 1.26 0.15 1.37 0.00 -1.26 -1.38 105.19 104.79 1oag n GLY 58 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1oag n GLY 58 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1oag h THR 59 N 0.00 0.00 0.00 2.61 1.35 -1.86 -3.20 112.91 111.81 1oag h THR 59 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1oag h THR 59 Cb 0.00 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1oag h THR 59 CO 0.00 0.00 0.00 -0.29 -0.25 0.00 0.00 175.52 174.98 1oag h ILE 60 N 0.00 0.00 0.00 6.82 2.10 -1.92 -0.92 117.51 123.59 1oag h ILE 60 Ca 0.00 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.69 1oag h ILE 60 Cb 0.65 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 1oag h ILE 60 CO 0.00 0.00 0.00 0.07 -1.08 0.00 0.00 178.15 177.14 1oag h LYS 61 N 0.00 0.00 -6.59 2.19 2.10 -1.97 -3.34 116.57 108.96 1oag h LYS 61 Ca 0.00 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.13 1oag h LYS 61 Cb 0.26 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 31.64 1oag h LYS 61 CO 0.00 0.00 0.92 -1.01 -2.00 0.00 0.00 179.45 177.36 1oag s HIS 62 N -3.25 2.94 0.44 0.07 3.76 -0.35 -4.90 115.29 114.00 1oag s HIS 62 Ca 0.07 0.53 0.23 0.00 -0.15 0.00 0.00 55.06 55.74 1oag s HIS 62 Cb 0.09 -3.97 1.22 0.00 1.11 0.00 0.00 32.58 31.03 1oag s HIS 62 CO 0.58 -3.65 1.81 -1.35 -0.85 0.00 0.00 174.74 171.28 1oag h PRO 63 N 7.03 0.27 -0.51 8.40 0.11 -1.88 -0.80 132.00 144.63 1oag h PRO 63 Ca -0.43 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1oag h PRO 63 Cb 1.20 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1oag h PRO 63 CO 0.92 0.18 0.10 0.00 -0.21 0.00 0.00 178.00 178.99 1oag h ALA 64 N 1.57 1.21 0.05 -0.75 0.00 -1.92 -1.92 119.26 117.52 1oag h ALA 64 Ca 0.54 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 54.97 1oag h ALA 64 Cb 1.58 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1oag h ALA 64 CO -0.18 0.54 -1.38 1.49 0.00 0.00 0.00 179.25 179.72 1oag h GLU 65 N 0.76 0.11 0.00 0.00 4.81 -1.45 -3.23 114.58 115.59 1oag h GLU 65 Ca 0.17 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1oag h GLU 65 Cb 0.32 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1oag h GLU 65 CO 0.00 0.95 -0.16 -0.07 -0.73 0.00 0.00 179.01 179.00 1oag h LEU 66 N 0.03 0.00 -0.61 1.64 3.38 -1.09 -2.32 115.31 116.34 1oag h LEU 66 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1oag h LEU 66 Cb 1.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1oag h LEU 66 CO 0.14 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.82 1oag h ALA 67 N 1.84 1.00 -2.16 1.53 0.00 -1.36 -3.41 119.26 116.69 1oag h ALA 67 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1oag h ALA 67 Cb 0.32 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.20 1oag h ALA 67 CO 0.02 0.00 0.47 0.72 0.00 0.00 0.00 179.25 180.46 1oag n HIS 68 N -2.79 1.86 -0.01 0.00 8.25 -0.88 -4.86 115.22 116.80 1oag n HIS 68 Ca 0.03 0.53 0.04 0.00 -0.26 0.00 0.00 57.72 58.06 1oag n HIS 68 Cb 0.38 -2.39 0.41 0.00 1.12 0.00 0.00 29.99 29.51 1oag n HIS 68 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1oag h SER 69 N 3.62 0.49 -0.01 0.41 4.64 -1.90 -0.92 113.55 119.87 1oag h SER 69 Ca -0.44 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1oag h SER 69 Cb 1.30 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1oag h SER 69 CO 0.71 0.37 0.03 0.00 -0.87 0.00 0.00 176.83 177.07 1oag h ALA 70 N 1.72 1.28 -0.65 5.18 0.00 -1.94 -2.37 119.26 122.48 1oag h ALA 70 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1oag h ALA 70 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1oag h ALA 70 CO -0.03 -0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.28 1oag n ASN 71 N -3.44 4.83 -4.65 0.00 3.02 -0.35 -5.00 115.26 109.67 1oag n ASN 71 Ca -0.03 -2.47 -0.46 0.00 -0.03 0.00 0.00 54.58 51.59 1oag n ASN 71 Cb 0.10 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.66 1oag n ASN 71 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1oag n ASN 72 N 1.10 2.53 0.00 6.41 3.02 -0.90 -1.28 115.26 126.15 1oag n ASN 72 Ca 0.26 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.95 1oag n ASN 72 Cb 0.91 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1oag n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oag n GLY 73 N 2.24 3.13 0.11 7.41 0.00 -1.26 -4.83 105.19 111.98 1oag n GLY 73 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1oag n GLY 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oag n LEU 74 N 0.00 0.68 0.16 0.99 4.77 -0.40 -2.16 117.00 121.04 1oag n LEU 74 Ca 0.00 0.63 0.06 0.00 -0.03 0.00 0.00 56.01 56.67 1oag n LEU 74 Cb 0.00 -0.49 0.55 0.00 -2.33 0.00 0.00 43.42 41.15 1oag n LEU 74 CO 0.00 -0.42 1.08 -2.24 -1.33 0.00 0.00 177.39 174.49 1oag h ASP 75 N 0.00 0.17 -0.60 -1.43 2.03 -1.89 -1.19 116.42 113.51 1oag h ASP 75 Ca 0.00 -0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1oag h ASP 75 Cb 0.48 -0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 38.91 1oag h ASP 75 CO 0.00 0.15 0.37 0.40 -1.03 0.00 0.00 179.24 179.13 1oag h ILE 76 N 0.20 1.17 -0.42 4.15 2.04 -1.83 -1.43 117.51 121.39 1oag h ILE 76 Ca 0.05 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1oag h ILE 76 Cb 0.02 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1oag h ILE 76 CO -0.01 0.18 0.13 0.00 0.00 0.00 0.00 178.15 178.45 1oag h ALA 77 N 1.19 0.55 -0.25 1.87 0.00 -1.36 -0.18 119.26 121.08 1oag h ALA 77 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1oag h ALA 77 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1oag h ALA 77 CO -0.04 0.19 0.08 0.28 0.00 0.00 0.00 179.25 179.76 1oag h VAL 78 N 0.53 1.19 -0.52 0.00 2.07 -1.22 -2.39 116.25 115.92 1oag h VAL 78 Ca 0.14 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1oag h VAL 78 Cb 0.26 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1oag h VAL 78 CO -0.00 0.20 0.33 -0.09 0.02 0.00 0.00 177.57 178.03 1oag h ARG 79 N 0.24 0.69 -0.81 1.57 2.43 -1.12 -2.47 114.38 114.91 1oag h ARG 79 Ca 0.08 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1oag h ARG 79 Cb 0.23 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 1oag h ARG 79 CO -0.00 0.47 0.53 -0.07 -1.51 0.00 0.00 179.97 179.39 1oag h LEU 80 N 0.70 0.75 0.00 3.80 3.38 -0.83 -2.68 115.31 120.44 1oag h LEU 80 Ca 0.19 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1oag h LEU 80 Cb -0.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1oag h LEU 80 CO -0.04 0.47 -0.41 0.18 0.09 0.00 0.00 178.44 178.73 1oag n LEU 81 N -4.49 0.73 -0.12 1.67 4.77 -0.92 -4.39 117.00 114.24 1oag n LEU 81 Ca 0.13 0.34 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 1oag n LEU 81 Cb 0.25 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1oag n LEU 81 CO 0.33 -0.09 0.99 -0.08 -1.33 0.00 0.00 177.39 177.21 1oag h GLU 82 N 0.00 0.41 -0.69 3.23 4.57 -1.08 0.03 114.58 121.04 1oag h GLU 82 Ca 0.00 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 1oag h GLU 82 Cb 0.74 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.19 1oag h GLU 82 CO 0.00 0.27 0.42 -1.35 -1.18 0.00 0.00 179.01 177.17 1oag h PRO 83 N 0.42 0.79 -0.40 0.92 0.11 -1.77 -2.19 132.00 129.88 1oag h PRO 83 Ca 0.16 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 1oag h PRO 83 Cb 0.06 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 1oag h PRO 83 CO -0.10 0.52 0.05 -0.07 -0.21 0.00 0.00 178.00 178.18 1oag h LEU 84 N 0.81 0.65 -1.32 2.35 3.38 -1.70 -2.86 115.31 116.62 1oag h LEU 84 Ca 0.29 -0.27 0.13 0.00 0.09 0.00 0.00 57.88 58.12 1oag h LEU 84 Cb 0.07 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 1oag h LEU 84 CO -0.13 0.76 0.56 0.50 0.09 0.00 0.00 178.44 180.22 1oag h LYS 85 N 0.51 0.67 0.00 1.13 1.63 -0.81 -0.27 116.57 119.43 1oag h LYS 85 Ca 0.12 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1oag h LYS 85 Cb 0.40 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1oag h LYS 85 CO 0.01 0.44 -0.04 0.00 -3.45 0.00 0.00 179.45 176.41 1oag h ALA 86 N 1.60 1.03 0.00 5.00 0.00 -1.16 0.38 119.26 126.11 1oag h ALA 86 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1oag h ALA 86 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1oag h ALA 86 CO -0.19 0.06 0.00 0.39 0.00 0.00 0.00 179.25 179.51 1oag n GLU 87 N -3.19 0.10 -3.17 0.00 1.02 -0.11 -4.04 120.64 111.25 1oag n GLU 87 Ca -0.00 0.13 -0.24 0.00 -0.02 0.00 0.00 57.16 57.03 1oag n GLU 87 Cb 0.29 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 1oag n GLU 87 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1oag n PHE 88 N -1.79 2.13 0.21 -0.32 3.72 0.12 -4.95 117.46 116.57 1oag n PHE 88 Ca 0.06 -3.91 0.10 0.00 -0.05 0.00 0.00 57.45 53.65 1oag n PHE 88 Cb 0.33 -0.46 0.65 0.00 -0.94 0.00 0.00 39.48 39.06 1oag n PHE 88 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1oag h PRO 89 N 3.48 0.01 0.00 -1.08 0.13 -1.70 -2.24 132.00 130.59 1oag h PRO 89 Ca 0.13 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 1oag h PRO 89 Cb 0.73 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1oag h PRO 89 CO 0.67 0.00 -0.22 0.97 -0.23 0.00 0.00 178.00 179.19 1oag h ILE 90 N 0.01 0.73 -3.83 -3.56 2.10 -1.92 -3.44 117.51 107.60 1oag h ILE 90 Ca 0.05 -0.94 -0.49 0.00 1.08 0.00 0.00 64.86 64.57 1oag h ILE 90 Cb 0.20 1.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.51 1oag h ILE 90 CO -0.00 0.22 0.41 -0.76 -1.08 0.00 0.00 178.15 176.93 1oag s LEU 91 N -7.30 4.48 0.56 2.19 1.43 -0.85 -5.03 118.68 114.17 1oag s LEU 91 Ca -0.02 2.07 -0.20 0.00 -1.03 0.00 0.00 54.13 54.95 1oag s LEU 91 Cb 0.12 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 1oag s LEU 91 CO 0.64 -0.10 1.24 -0.94 0.23 0.00 0.00 176.35 177.42 1oag s SER 92 N -1.20 5.37 0.30 2.29 1.04 -1.26 -4.92 113.70 115.32 1oag s SER 92 Ca 0.46 2.48 0.00 0.00 0.48 0.00 0.00 55.95 59.38 1oag s SER 92 Cb -0.26 -2.61 0.52 0.00 0.10 0.00 0.00 66.02 63.76 1oag s SER 92 CO 0.33 -1.48 1.91 1.88 0.98 0.00 0.00 173.24 176.86 1oag h TYR 93 N 1.24 1.06 -0.16 5.02 -1.99 -1.94 -1.57 116.97 118.64 1oag h TYR 93 Ca -0.50 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.30 1oag h TYR 93 Cb 1.29 -0.35 -0.06 0.00 2.00 0.00 0.00 36.73 39.61 1oag h TYR 93 CO 0.47 0.56 -0.22 0.00 -0.00 0.00 0.00 178.16 178.97 1oag h ALA 94 N 1.50 -0.16 -0.53 3.88 0.00 -1.85 -0.34 119.26 121.76 1oag h ALA 94 Ca 0.39 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 1oag h ALA 94 Cb 0.19 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1oag h ALA 94 CO -0.15 -0.67 0.10 -0.44 0.00 0.00 0.00 179.25 178.09 1oag h ASP 95 N -0.27 0.83 -0.57 0.00 3.32 -1.75 -2.81 116.42 115.18 1oag h ASP 95 Ca 0.11 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1oag h ASP 95 Cb 0.43 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1oag h ASP 95 CO -0.32 0.86 0.37 0.15 -1.72 0.00 0.00 179.24 178.59 1oag h PHE 96 N 0.75 0.73 -0.35 4.55 3.57 -0.61 0.23 116.94 125.81 1oag h PHE 96 Ca 0.16 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 1oag h PHE 96 Cb 0.38 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1oag h PHE 96 CO 0.03 0.47 -0.33 1.88 -2.23 0.00 0.00 178.31 178.12 1oag h TYR 97 N 0.78 1.02 -0.36 0.41 0.05 -1.12 -0.34 116.97 117.40 1oag h TYR 97 Ca 0.21 -0.30 -0.09 0.00 0.05 0.00 0.00 58.73 58.60 1oag h TYR 97 Cb -0.08 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 1oag h TYR 97 CO -0.03 1.10 -0.13 1.96 -1.05 0.00 0.00 178.16 180.00 1oag h GLN 98 N 0.64 0.64 -0.64 4.88 1.08 -1.17 -2.13 115.11 118.42 1oag h GLN 98 Ca 0.06 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 56.98 1oag h GLN 98 Cb 0.92 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.26 1oag h GLN 98 CO 0.08 0.75 0.12 1.25 -0.95 0.00 0.00 178.83 180.09 1oag h LEU 99 N 0.58 1.00 -1.14 1.46 5.85 -0.31 -1.18 115.31 121.56 1oag h LEU 99 Ca 0.10 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1oag h LEU 99 Cb 0.57 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1oag h LEU 99 CO 0.04 0.99 0.58 0.00 -0.34 0.00 0.00 178.44 179.71 1oag h ALA 100 N 1.04 1.38 -0.48 1.25 0.00 -0.83 0.77 119.26 122.40 1oag h ALA 100 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1oag h ALA 100 Cb 0.41 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1oag h ALA 100 CO 0.01 0.57 0.25 0.78 0.00 0.00 0.00 179.25 180.85 1oag h GLY 101 N 1.18 0.73 0.91 0.00 0.00 -0.84 0.15 103.07 105.19 1oag h GLY 101 Ca 0.32 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1oag h GLY 101 CO -0.07 0.33 0.06 -2.08 0.00 0.00 0.00 176.54 174.78 1oag h VAL 102 N 0.63 1.23 -0.45 4.60 2.07 -0.68 -2.74 116.25 120.91 1oag h VAL 102 Ca 0.17 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 1oag h VAL 102 Cb 0.08 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1oag h VAL 102 CO -0.02 0.27 -0.05 0.58 0.02 0.00 0.00 177.57 178.37 1oag h VAL 103 N 0.40 1.25 -0.65 2.57 2.07 -0.67 -1.89 116.25 119.33 1oag h VAL 103 Ca 0.11 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.59 1oag h VAL 103 Cb 0.34 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1oag h VAL 103 CO 0.00 0.37 0.39 0.00 0.02 0.00 0.00 177.57 178.36 1oag h ALA 104 N 1.23 0.86 -0.14 1.67 0.00 -0.52 0.28 119.26 122.62 1oag h ALA 104 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1oag h ALA 104 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1oag h ALA 104 CO 0.03 0.13 0.03 0.28 0.00 0.00 0.00 179.25 179.72 1oag h VAL 105 N 0.76 1.20 -0.02 0.00 2.07 -1.21 -3.11 116.25 115.94 1oag h VAL 105 Ca 0.27 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1oag h VAL 105 Cb 0.06 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1oag h VAL 105 CO -0.12 0.19 0.01 -0.08 0.02 0.00 0.00 177.57 177.58 1oag h GLU 106 N 0.03 0.02 0.00 1.57 4.81 -0.74 0.14 114.58 120.41 1oag h GLU 106 Ca 0.04 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1oag h GLU 106 Cb 0.26 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1oag h GLU 106 CO 0.00 0.01 0.00 -0.39 -0.73 0.00 0.00 179.01 177.90 1oag h VAL 107 N 0.02 0.00 -0.39 0.32 -1.51 -1.03 -0.86 116.25 112.80 1oag h VAL 107 Ca 0.01 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1oag h VAL 107 Cb 0.00 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1oag h VAL 107 CO -0.01 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.68 1oag n THR 108 N -2.40 0.52 -0.27 7.19 -2.24 -1.16 -4.92 114.28 111.00 1oag n THR 108 Ca 0.03 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1oag n THR 108 Cb 0.31 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1oag n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oag n GLY 109 N 1.22 0.85 1.97 3.38 0.00 -0.33 -0.77 105.19 111.52 1oag n GLY 109 Ca 0.16 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1oag n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oag n GLY 110 N -2.27 -0.79 3.75 -0.02 0.00 0.48 -4.80 105.19 101.54 1oag n GLY 110 Ca 0.00 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 1oag n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1oag s PRO 111 N -4.29 2.02 -0.59 1.61 0.04 -1.26 -4.56 135.00 127.97 1oag s PRO 111 Ca 0.37 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.42 1oag s PRO 111 Cb -0.01 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.71 1oag s PRO 111 CO 0.26 -1.83 1.01 -1.21 0.04 0.00 0.00 177.00 175.27 1oag s GLU 112 N -4.83 3.31 -0.19 4.56 2.02 -1.26 -4.26 118.70 118.05 1oag s GLU 112 Ca 0.62 -0.27 -0.25 0.00 0.02 0.00 0.00 54.97 55.09 1oag s GLU 112 Cb -0.18 -4.09 -0.01 0.00 0.10 0.00 0.00 34.13 29.95 1oag s GLU 112 CO 0.56 -1.63 0.83 0.08 0.02 0.00 0.00 175.26 175.12 1oag s VAL 113 N 4.28 4.87 0.51 2.63 1.01 -1.26 -5.00 120.40 127.44 1oag s VAL 113 Ca 0.31 1.62 -0.23 0.00 0.00 0.00 0.00 61.98 63.68 1oag s VAL 113 Cb -0.12 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1oag s VAL 113 CO 0.18 0.00 1.31 -2.65 0.00 0.00 0.00 175.10 173.95 1oag n PRO 114 N 5.40 1.75 -4.31 2.72 -0.02 -1.26 -5.00 135.00 134.28 1oag n PRO 114 Ca 0.05 0.64 -0.23 0.00 -2.02 0.00 0.00 63.50 61.94 1oag n PRO 114 Cb 0.48 -2.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.30 1oag n PRO 114 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1oag s PHE 115 N -1.27 1.12 -0.11 6.00 5.36 -1.26 -4.79 117.98 123.03 1oag s PHE 115 Ca 0.68 -0.40 0.03 0.00 -0.96 0.00 0.00 56.93 56.29 1oag s PHE 115 Cb -0.44 -0.90 0.00 0.00 -0.34 0.00 0.00 43.02 41.35 1oag s PHE 115 CO 0.52 -0.26 -0.22 -1.01 -1.46 0.00 0.00 175.22 172.79 1oag s HIS 116 N 0.92 2.42 0.81 10.12 3.76 -1.26 -5.14 115.29 126.92 1oag s HIS 116 Ca -0.11 -1.05 -0.12 0.00 -0.15 0.00 0.00 55.06 53.64 1oag s HIS 116 Cb -0.15 -1.64 0.10 0.00 1.11 0.00 0.00 32.58 32.00 1oag s HIS 116 CO 0.01 -0.45 1.17 -1.25 -0.85 0.00 0.00 174.74 173.37 1oag s PRO 117 N 0.52 1.80 0.00 8.40 0.04 -1.26 -4.77 135.00 139.73 1oag s PRO 117 Ca -0.15 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1oag s PRO 117 Cb -0.17 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1oag s PRO 117 CO 0.05 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 175.84 1oag n GLY 118 N -3.32 1.00 3.77 0.56 0.00 -1.26 -4.54 105.19 101.40 1oag n GLY 118 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1oag n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oag s ARG 119 N 0.00 4.26 0.05 1.61 0.52 -1.26 -4.95 118.95 119.18 1oag s ARG 119 Ca 0.00 2.35 -0.06 0.00 -0.52 0.00 0.00 55.73 57.50 1oag s ARG 119 Cb 0.00 -3.05 -0.05 0.00 0.52 0.00 0.00 34.95 32.37 1oag s ARG 119 CO 0.00 -0.35 0.30 -1.21 0.02 0.00 0.00 175.30 174.06 1oag s GLU 120 N -1.50 3.59 -0.05 3.54 2.02 -1.26 -4.46 118.70 120.58 1oag s GLU 120 Ca 0.53 -0.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.13 1oag s GLU 120 Cb -0.42 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 1oag s GLU 120 CO 0.53 0.60 1.19 -0.51 0.02 0.00 0.00 175.26 177.09 1oag s ASP 121 N -1.94 7.06 0.08 -0.19 1.01 -1.26 -4.65 116.67 116.78 1oag s ASP 121 Ca 0.32 1.80 0.02 0.00 0.71 0.00 0.00 52.55 55.40 1oag s ASP 121 Cb -0.13 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 1oag s ASP 121 CO 0.19 -0.57 0.16 -0.54 0.21 0.00 0.00 175.17 174.62 1oag s LYS 122 N 2.18 3.18 0.20 8.23 1.02 -0.48 -5.03 119.74 129.05 1oag s LYS 122 Ca 0.56 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.99 1oag s LYS 122 Cb -0.24 -2.88 0.14 0.00 -0.52 0.00 0.00 37.83 34.32 1oag s LYS 122 CO 0.22 0.58 1.49 -1.00 -0.92 0.00 0.00 175.35 175.71 1oag h PRO 123 N 3.05 0.29 -4.98 -1.68 0.13 -1.95 -3.43 132.00 123.43 1oag h PRO 123 Ca -0.46 -0.23 -0.66 0.00 -0.87 0.00 0.00 66.00 63.78 1oag h PRO 123 Cb 1.17 0.05 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 1oag h PRO 123 CO 0.71 0.87 -0.72 -1.21 -0.23 0.00 0.00 178.00 177.41 1oag s GLU 124 N -3.62 3.30 0.69 0.86 0.41 -1.26 -5.07 118.70 114.01 1oag s GLU 124 Ca -0.04 -0.68 -0.16 0.00 -0.41 0.00 0.00 54.97 53.68 1oag s GLU 124 Cb 0.11 -3.01 0.01 0.00 -1.78 0.00 0.00 34.13 29.47 1oag s GLU 124 CO 0.82 -0.23 1.24 -2.14 -0.49 0.00 0.00 175.26 174.46 1oag s PRO 125 N 1.46 2.37 0.82 0.39 0.02 -1.26 -4.84 135.00 133.96 1oag s PRO 125 Ca 0.05 1.88 -0.11 0.00 0.02 0.00 0.00 61.00 62.84 1oag s PRO 125 Cb -0.15 -1.85 0.08 0.00 0.02 0.00 0.00 34.50 32.61 1oag s PRO 125 CO -0.04 -1.69 1.09 -1.25 -0.33 0.00 0.00 177.00 174.79 1oag s PRO 126 N -3.65 1.91 0.62 5.54 0.04 -1.26 -4.99 135.00 133.21 1oag s PRO 126 Ca 0.78 0.91 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1oag s PRO 126 Cb -0.32 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1oag s PRO 126 CO 0.42 -1.81 1.29 -1.25 0.04 0.00 0.00 177.00 175.69 1oag s PRO 127 N -4.98 2.73 0.60 0.56 0.04 -1.26 -4.99 135.00 127.70 1oag s PRO 127 Ca 0.62 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 63.51 1oag s PRO 127 Cb -0.17 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1oag s PRO 127 CO 0.56 -1.45 1.22 -2.00 0.04 0.00 0.00 177.00 175.37 1oag s GLU 128 N -3.29 2.93 0.00 4.56 2.12 -1.26 -4.39 118.70 119.37 1oag s GLU 128 Ca 0.80 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.99 1oag s GLU 128 Cb -0.37 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.10 1oag s GLU 128 CO 0.40 -1.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.28 1oag n GLY 129 N 0.56 1.08 0.13 -1.50 0.00 -1.26 -5.00 105.19 99.21 1oag n GLY 129 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1oag n GLY 129 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1oag h ARG 130 N 2.85 0.00 -7.13 1.61 3.08 -1.94 -3.47 114.38 109.38 1oag h ARG 130 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1oag h ARG 130 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1oag h ARG 130 CO 0.00 0.02 0.37 -0.51 -1.07 0.00 0.00 179.97 178.77 1oag s LEU 131 N -5.56 3.75 0.63 3.04 1.43 -1.26 -4.88 118.68 115.84 1oag s LEU 131 Ca 0.01 1.71 -0.16 0.00 -1.03 0.00 0.00 54.13 54.65 1oag s LEU 131 Cb 0.09 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.76 1oag s LEU 131 CO 0.77 -0.62 1.13 -2.16 0.23 0.00 0.00 176.35 175.69 1oag s PRO 132 N -3.62 2.88 -0.34 1.29 0.04 -1.26 -5.00 135.00 128.98 1oag s PRO 132 Ca 0.62 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 63.05 1oag s PRO 132 Cb -0.12 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1oag s PRO 132 CO 0.24 -1.21 0.22 0.34 0.04 0.00 0.00 177.00 176.63 1oag s ASP 133 N -2.27 5.90 0.53 6.66 -1.08 -1.26 -4.99 116.67 120.17 1oag s ASP 133 Ca 0.70 -0.52 0.36 0.00 -0.52 0.00 0.00 52.55 52.56 1oag s ASP 133 Cb -0.23 -2.09 1.87 0.00 -1.46 0.00 0.00 42.92 41.01 1oag s ASP 133 CO 0.38 -0.25 2.09 0.00 0.52 0.00 0.00 175.17 177.90 1oag h ALA 134 N 8.46 1.00 -0.00 3.66 0.00 -2.00 -2.02 119.26 128.35 1oag h ALA 134 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1oag h ALA 134 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1oag h ALA 134 CO 0.64 0.00 -0.38 0.25 0.00 0.00 0.00 179.25 179.76 1oag n THR 135 N -2.79 0.00 -2.71 0.00 -2.24 -1.26 -1.37 114.28 103.92 1oag n THR 135 Ca -0.02 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 1oag n THR 135 Cb 0.09 0.30 0.06 0.00 -2.10 0.00 0.00 70.33 68.69 1oag n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1oag n LYS 136 N -1.10 0.40 0.00 -0.78 5.02 -0.76 -4.79 118.16 116.14 1oag n LYS 136 Ca 0.09 -1.87 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 1oag n LYS 136 Cb 0.34 -0.31 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 1oag n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oag n GLY 137 N 0.21 5.19 0.30 0.72 0.00 -1.26 -3.24 105.19 107.11 1oag n GLY 137 Ca 0.11 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 1oag n GLY 137 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1oag h SER 138 N 0.00 1.00 -0.88 1.61 0.02 -1.93 -0.94 113.55 112.43 1oag h SER 138 Ca 0.00 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1oag h SER 138 Cb 0.00 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 1oag h SER 138 CO 0.00 1.01 0.58 0.44 -1.14 0.00 0.00 176.83 177.72 1oag h ASP 139 N 0.95 0.99 -0.44 3.07 3.32 -1.99 -1.42 116.42 120.90 1oag h ASP 139 Ca 0.19 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1oag h ASP 139 Cb 0.44 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1oag h ASP 139 CO 0.01 0.71 0.07 -0.74 -1.72 0.00 0.00 179.24 177.57 1oag h HIS 140 N 1.16 0.77 -0.71 4.55 2.76 -1.73 -1.88 115.15 120.07 1oag h HIS 140 Ca 0.33 -0.11 0.03 0.00 -2.20 0.00 0.00 60.37 58.43 1oag h HIS 140 Cb -0.10 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 28.61 1oag h HIS 140 CO -0.01 0.74 0.44 -0.07 -1.30 0.00 0.00 177.93 177.73 1oag h LEU 141 N 0.58 0.72 -0.94 0.26 3.38 -0.81 -1.58 115.31 116.93 1oag h LEU 141 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1oag h LEU 141 Cb 0.38 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1oag h LEU 141 CO 0.01 0.49 0.10 0.03 0.09 0.00 0.00 178.44 179.16 1oag h ARG 142 N 0.86 0.87 -0.87 1.13 3.08 -1.11 0.56 114.38 118.90 1oag h ARG 142 Ca 0.29 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1oag h ARG 142 Cb 0.04 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1oag h ARG 142 CO -0.12 0.81 0.49 -0.44 -1.07 0.00 0.00 179.97 179.63 1oag h ASP 143 N 0.83 1.08 0.00 7.04 3.32 -0.62 0.12 116.42 128.19 1oag h ASP 143 Ca 0.17 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1oag h ASP 143 Cb 0.36 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1oag h ASP 143 CO 0.01 0.86 -0.27 0.58 -1.72 0.00 0.00 179.24 178.69 1oag h VAL 144 N 1.21 0.50 -0.14 -1.35 2.07 -1.08 -1.40 116.25 116.06 1oag h VAL 144 Ca 0.31 -1.44 -0.16 0.00 0.82 0.00 0.00 66.70 66.23 1oag h VAL 144 Cb 0.02 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1oag h VAL 144 CO -0.05 0.17 -0.57 -0.26 0.02 0.00 0.00 177.57 176.88 1oag h PHE 145 N -1.00 0.56 0.00 1.57 -1.00 -1.01 -1.84 116.94 114.23 1oag h PHE 145 Ca -0.04 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.53 1oag h PHE 145 Cb 0.50 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.95 1oag h PHE 145 CO 0.02 0.91 -0.36 0.41 -1.61 0.00 0.00 178.31 177.68 1oag n GLY 146 N 0.26 -0.65 0.23 -1.45 0.00 0.24 -0.32 105.19 103.49 1oag n GLY 146 Ca -0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 1oag n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oag h LYS 147 N -0.51 0.50 0.00 1.61 1.57 -0.91 -1.55 116.57 117.28 1oag h LYS 147 Ca 0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1oag h LYS 147 Cb 0.36 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1oag h LYS 147 CO 0.00 0.79 -0.09 0.00 -0.57 0.00 0.00 179.45 179.58 1oag h ALA 148 N 1.19 0.00 -0.06 3.86 0.00 -1.28 -3.42 119.26 119.54 1oag h ALA 148 Ca 0.04 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1oag h ALA 148 Cb 0.83 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1oag h ALA 148 CO 0.07 0.09 -0.50 0.52 0.00 0.00 0.00 179.25 179.43 1oag h MET 149 N -0.22 0.16 0.00 0.00 2.86 -1.25 0.13 114.93 116.60 1oag h MET 149 Ca 0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1oag h MET 149 Cb 0.09 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1oag h MET 149 CO 0.00 0.63 0.00 0.41 1.06 0.00 0.00 176.91 179.01 1oag n GLY 150 N -0.02 0.69 3.97 8.32 0.00 -0.57 -4.66 105.19 112.93 1oag n GLY 150 Ca -0.02 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 1oag n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oag s LEU 151 N 0.00 3.73 0.54 0.99 1.43 0.57 -4.96 118.68 120.98 1oag s LEU 151 Ca 0.00 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1oag s LEU 151 Cb 0.00 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 43.28 1oag s LEU 151 CO 0.00 -0.65 0.77 0.42 0.23 0.00 0.00 176.35 177.12 1oag s THR 152 N -2.43 2.80 0.31 5.49 -4.23 -1.26 -4.02 115.64 112.29 1oag s THR 152 Ca 0.48 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1oag s THR 152 Cb -0.10 -3.05 0.20 0.00 1.34 0.00 0.00 72.50 70.89 1oag s THR 152 CO 0.35 -0.04 1.89 0.44 -0.54 0.00 0.00 174.62 176.73 1oag h ASP 153 N 0.09 0.76 -0.27 3.99 5.19 -1.99 -1.39 116.42 122.79 1oag h ASP 153 Ca -0.42 -0.09 0.01 0.00 -0.62 0.00 0.00 57.03 55.90 1oag h ASP 153 Cb 1.29 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 1oag h ASP 153 CO 0.53 0.67 0.16 -0.61 -3.12 0.00 0.00 179.24 176.87 1oag h GLN 154 N 0.82 0.32 -0.98 3.56 4.15 -1.95 -2.56 115.11 118.47 1oag h GLN 154 Ca 0.20 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.66 1oag h GLN 154 Cb 0.15 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.70 1oag h GLN 154 CO -0.02 0.21 0.64 -0.44 -1.93 0.00 0.00 178.83 177.29 1oag h ASP 155 N 0.33 1.02 -0.41 -0.69 3.32 -1.74 -1.32 116.42 116.92 1oag h ASP 155 Ca 0.10 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.20 1oag h ASP 155 Cb -0.01 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1oag h ASP 155 CO -0.04 0.65 0.19 0.40 -1.72 0.00 0.00 179.24 178.72 1oag h ILE 156 N 1.15 0.96 -0.12 0.35 2.04 -0.87 0.21 117.51 121.23 1oag h ILE 156 Ca 0.42 -0.14 -0.13 0.00 1.00 0.00 0.00 64.86 66.02 1oag h ILE 156 Cb 0.16 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1oag h ILE 156 CO -0.16 0.07 -0.42 0.58 0.00 0.00 0.00 178.15 178.21 1oag h VAL 157 N 0.39 1.37 -0.22 1.67 2.07 -1.21 -1.63 116.25 118.69 1oag h VAL 157 Ca 0.18 -1.73 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 1oag h VAL 157 Cb 0.10 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1oag h VAL 157 CO -0.14 0.52 0.14 0.00 0.02 0.00 0.00 177.57 178.11 1oag h ALA 158 N 0.50 0.28 -0.18 1.67 0.00 -1.15 -2.35 119.26 118.03 1oag h ALA 158 Ca -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1oag h ALA 158 Cb 1.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1oag h ALA 158 CO 0.09 -0.22 -0.13 -0.07 0.00 0.00 0.00 179.25 178.93 1oag h LEU 159 N 0.28 0.27 -1.82 0.00 3.38 -0.97 -1.07 115.31 115.38 1oag h LEU 159 Ca 0.08 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1oag h LEU 159 Cb 0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1oag h LEU 159 CO -0.02 0.43 0.23 0.28 0.09 0.00 0.00 178.44 179.45 1oag h SER 160 N 0.27 0.20 0.00 -0.43 0.02 -0.74 -0.52 113.55 112.35 1oag h SER 160 Ca 0.05 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1oag h SER 160 Cb 0.39 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1oag h SER 160 CO 0.02 0.13 0.24 1.23 -1.14 0.00 0.00 176.83 177.32 1oag h GLY 161 N 0.23 0.00 1.31 -3.77 0.00 -1.01 -1.81 103.07 98.01 1oag h GLY 161 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.53 1oag h GLY 161 CO -0.03 0.00 0.30 -1.33 0.00 0.00 0.00 176.54 175.48 1oag h GLY 162 N 0.00 0.00 1.31 4.60 0.00 -1.21 0.52 103.07 108.30 1oag h GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1oag h GLY 162 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 1oag n HIS 163 N -3.43 0.00 0.31 5.60 8.25 -0.68 -2.23 115.22 123.03 1oag n HIS 163 Ca 0.02 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.67 1oag n HIS 163 Cb 0.41 -0.16 0.96 0.00 1.12 0.00 0.00 29.99 32.32 1oag n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1oag h THR 164 N 0.00 0.00 -3.97 1.59 1.03 -1.13 -3.40 112.91 107.04 1oag h THR 164 Ca 0.00 -0.16 -0.69 0.00 -0.01 0.00 0.00 66.41 65.56 1oag h THR 164 Cb 0.08 1.08 -0.22 0.00 -1.07 0.00 0.00 68.15 68.02 1oag h THR 164 CO 0.00 0.00 -0.83 0.27 -0.01 0.00 0.00 175.52 174.95 1oag s ILE 165 N -3.90 2.60 0.00 0.00 -4.36 -0.94 -4.56 121.20 110.03 1oag s ILE 165 Ca -0.02 -1.38 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1oag s ILE 165 Cb 0.11 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.70 1oag s ILE 165 CO 0.42 0.25 0.00 0.61 0.24 0.00 0.00 174.94 176.46 1oag n GLY 166 N 1.32 -1.81 3.38 6.27 0.00 0.49 -4.90 105.19 109.94 1oag n GLY 166 Ca -0.16 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 1oag n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oag s ALA 167 N -1.56 -1.32 0.46 4.61 0.00 -1.26 -3.79 121.76 118.90 1oag s ALA 167 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 1oag s ALA 167 Cb 0.00 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1oag s ALA 167 CO 0.00 -0.65 0.73 0.00 0.00 0.00 0.00 175.76 175.83 1oag s ALA 168 N -3.37 3.51 -0.04 0.00 0.00 -0.31 -4.88 121.76 116.66 1oag s ALA 168 Ca -0.00 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1oag s ALA 168 Cb 0.00 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.72 1oag s ALA 168 CO -0.09 -0.33 -0.06 -1.01 0.00 0.00 0.00 175.76 174.28 1oag s HIS 169 N -2.64 0.81 0.47 0.00 3.76 -0.63 -1.06 115.29 116.00 1oag s HIS 169 Ca 0.46 -0.23 0.32 0.00 -0.15 0.00 0.00 55.06 55.46 1oag s HIS 169 Cb -0.10 -0.68 1.72 0.00 1.11 0.00 0.00 32.58 34.62 1oag s HIS 169 CO 0.42 -0.18 2.16 1.57 -0.85 0.00 0.00 174.74 177.86 1oag h LYS 170 N 7.04 0.00 0.00 1.40 2.10 -1.49 -0.39 116.57 125.23 1oag h LYS 170 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1oag h LYS 170 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1oag h LYS 170 CO 0.48 0.06 -0.28 -0.85 -2.00 0.00 0.00 179.45 176.85 1oag n GLU 171 N -3.52 0.09 0.00 0.07 0.00 -1.26 -3.00 120.64 113.02 1oag n GLU 171 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1oag n GLU 171 Cb 0.18 -1.57 0.00 0.00 0.00 0.00 0.00 31.44 30.05 1oag n GLU 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1oag n ARG 172 N -1.71 0.00 0.06 3.44 1.74 -0.19 -4.84 116.66 115.17 1oag n ARG 172 Ca 0.06 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.00 1oag n ARG 172 Cb 0.37 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.76 1oag n ARG 172 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1oag h SER 173 N 0.00 0.57 0.00 0.55 4.64 -1.72 -3.46 113.55 114.13 1oag h SER 173 Ca 0.00 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1oag h SER 173 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1oag h SER 173 CO 0.00 1.25 0.00 0.61 -0.87 0.00 0.00 176.83 177.82 1oag n GLY 174 N 0.93 1.52 3.73 -0.77 0.00 -1.03 -5.02 105.19 104.55 1oag n GLY 174 Ca -0.07 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1oag n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oag s PHE 175 N -1.73 2.36 -0.18 1.61 0.40 -1.26 -4.31 117.98 114.88 1oag s PHE 175 Ca 0.00 1.35 -0.08 0.00 -0.60 0.00 0.00 56.93 57.60 1oag s PHE 175 Cb 0.00 -3.13 0.07 0.00 0.51 0.00 0.00 43.02 40.47 1oag s PHE 175 CO 0.00 -2.26 0.40 -2.00 0.70 0.00 0.00 175.22 172.06 1oag s GLU 176 N -4.92 0.35 0.00 0.44 2.56 -1.26 -1.60 118.70 114.27 1oag s GLU 176 Ca 0.63 0.87 0.00 0.00 0.00 0.00 0.00 54.97 56.46 1oag s GLU 176 Cb -0.18 0.10 0.00 0.00 2.00 0.00 0.00 34.13 36.05 1oag s GLU 176 CO 0.57 -0.20 0.00 0.41 -0.56 0.00 0.00 175.26 175.48 1oag n GLY 177 N 4.72 1.85 3.88 -1.50 0.00 -0.23 -4.78 105.19 109.13 1oag n GLY 177 Ca -0.17 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 1oag n GLY 177 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1oag s PRO 178 N -2.03 3.71 0.25 1.61 0.04 -1.26 -1.16 135.00 136.16 1oag s PRO 178 Ca 0.00 0.56 0.13 0.00 0.04 0.00 0.00 61.00 61.73 1oag s PRO 178 Cb 0.00 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 32.33 1oag s PRO 178 CO 0.00 -0.24 1.44 -1.49 0.04 0.00 0.00 177.00 176.74 1oag h TRP 179 N 0.58 0.00 -3.16 0.56 6.55 -1.77 0.10 115.95 118.81 1oag h TRP 179 Ca -0.46 0.00 -0.41 0.00 0.95 0.00 0.00 58.89 58.97 1oag h TRP 179 Cb 1.19 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 29.35 1oag h TRP 179 CO 0.62 0.61 -0.66 0.95 -1.05 0.00 0.00 178.44 178.90 1oag s THR 180 N -2.97 1.17 -0.72 1.49 -4.23 -1.26 -4.49 115.64 104.63 1oag s THR 180 Ca 0.03 -2.05 0.23 0.00 -1.18 0.00 0.00 61.69 58.71 1oag s THR 180 Cb 0.08 -2.37 0.23 0.00 1.34 0.00 0.00 72.50 71.78 1oag s THR 180 CO 0.76 -0.32 1.70 -1.20 -0.54 0.00 0.00 174.62 175.01 1oag n SER 181 N -0.46 0.46 -3.38 3.99 7.64 -1.26 -4.11 113.62 116.50 1oag n SER 181 Ca -0.05 0.59 -0.26 0.00 1.01 0.00 0.00 58.87 60.16 1oag n SER 181 Cb 0.64 -0.69 -0.09 0.00 -1.01 0.00 0.00 64.21 63.06 1oag n SER 181 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1oag n ASN 182 N -1.98 1.32 0.00 6.43 3.02 -1.26 -4.98 115.26 117.82 1oag n ASN 182 Ca 0.04 -2.89 0.09 0.00 -0.03 0.00 0.00 54.58 51.79 1oag n ASN 182 Cb 0.27 -0.64 0.49 0.00 -0.61 0.00 0.00 39.78 39.29 1oag n ASN 182 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1oag n PRO 183 N 1.63 0.44 -0.28 3.52 -0.04 -1.26 -1.48 135.00 137.53 1oag n PRO 183 Ca 0.25 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.83 1oag n PRO 183 Cb 0.47 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.62 1oag n PRO 183 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1oag n LEU 184 N -1.11 3.25 -4.17 1.53 4.77 -1.26 -0.38 117.00 119.63 1oag n LEU 184 Ca 0.11 -2.64 -0.33 0.00 -0.03 0.00 0.00 56.01 53.13 1oag n LEU 184 Cb 0.09 -0.39 -0.16 0.00 -2.33 0.00 0.00 43.42 40.63 1oag n LEU 184 CO 0.11 0.68 -0.52 -0.63 -1.33 0.00 0.00 177.39 175.71 1oag s ILE 185 N -2.13 2.24 -0.52 -0.08 -1.09 -0.55 -4.65 121.20 114.42 1oag s ILE 185 Ca 0.32 -0.89 -0.25 0.00 -2.23 0.00 0.00 60.65 57.59 1oag s ILE 185 Cb 0.24 -1.94 0.03 0.00 -1.58 0.00 0.00 42.46 39.22 1oag s ILE 185 CO 0.09 0.53 0.98 0.12 -1.23 0.00 0.00 174.94 175.43 1oag s PHE 186 N 1.10 2.81 0.08 3.97 2.19 0.05 -4.48 117.98 123.70 1oag s PHE 186 Ca 0.00 0.22 -0.01 0.00 0.33 0.00 0.00 56.93 57.47 1oag s PHE 186 Cb -0.14 -4.11 0.01 0.00 -1.31 0.00 0.00 43.02 37.46 1oag s PHE 186 CO -0.07 -1.29 0.13 -0.40 1.83 0.00 0.00 175.22 175.41 1oag n ASP 187 N 7.51 -0.36 -0.66 6.13 5.68 -1.26 -4.27 116.55 129.32 1oag n ASP 187 Ca 0.05 -1.37 0.03 0.00 -0.50 0.00 0.00 54.79 53.00 1oag n ASP 187 Cb 0.48 0.63 0.12 0.00 -1.14 0.00 0.00 41.12 41.22 1oag n ASP 187 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1oag n ASN 188 N -1.68 1.83 0.24 -1.12 6.94 -1.26 -4.38 115.26 115.83 1oag n ASN 188 Ca -0.01 -2.12 0.07 0.00 -0.02 0.00 0.00 54.58 52.50 1oag n ASN 188 Cb 0.12 -0.32 0.56 0.00 -2.36 0.00 0.00 39.78 37.78 1oag n ASN 188 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1oag h SER 189 N 1.43 0.00 -0.74 0.53 0.02 -1.94 -1.77 113.55 111.08 1oag h SER 189 Ca 0.00 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 61.09 1oag h SER 189 Cb 0.59 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.04 1oag h SER 189 CO 0.06 0.13 0.30 0.22 -1.14 0.00 0.00 176.83 176.40 1oag h TYR 190 N 0.00 0.51 -0.10 3.45 3.20 -1.89 -0.19 116.97 121.95 1oag h TYR 190 Ca -0.00 0.04 -0.24 0.00 3.14 0.00 0.00 58.73 61.67 1oag h TYR 190 Cb 0.24 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.41 1oag h TYR 190 CO 0.00 0.07 -0.87 0.74 -1.64 0.00 0.00 178.16 176.46 1oag h PHE 191 N 0.45 1.06 -0.50 -3.82 0.04 -1.68 -1.42 116.94 111.07 1oag h PHE 191 Ca 0.41 -0.51 0.06 0.00 2.80 0.00 0.00 57.97 60.73 1oag h PHE 191 Cb 0.60 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.55 1oag h PHE 191 CO -0.16 1.34 0.20 1.15 -0.60 0.00 0.00 178.31 180.24 1oag h THR 192 N 0.48 0.86 -0.52 -1.55 2.02 -1.37 -1.57 112.91 111.26 1oag h THR 192 Ca -0.08 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 1oag h THR 192 Cb 1.51 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1oag h THR 192 CO 0.18 0.07 -0.05 -0.33 0.37 0.00 0.00 175.52 175.76 1oag h GLU 193 N 0.39 0.95 -0.68 6.66 4.39 -0.99 -2.43 114.58 122.87 1oag h GLU 193 Ca 0.24 -0.33 0.03 0.00 0.34 0.00 0.00 59.36 59.64 1oag h GLU 193 Cb 0.23 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 1oag h GLU 193 CO -0.22 0.99 0.43 1.25 -1.16 0.00 0.00 179.01 180.30 1oag h LEU 194 N 0.81 0.70 -1.16 1.33 5.85 -0.86 -2.45 115.31 119.54 1oag h LEU 194 Ca 0.14 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1oag h LEU 194 Cb 0.59 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1oag h LEU 194 CO 0.04 0.49 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.22 1oag h LEU 195 N 0.84 0.14 -0.07 2.25 3.38 -1.10 -3.26 115.31 117.50 1oag h LEU 195 Ca 0.27 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1oag h LEU 195 Cb 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1oag h LEU 195 CO -0.10 0.48 -0.08 -1.54 0.09 0.00 0.00 178.44 177.28 1oag n SER 196 N -4.10 0.18 0.00 -0.43 3.41 -0.93 -5.01 113.62 106.75 1oag n SER 196 Ca -0.01 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1oag n SER 196 Cb 0.41 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1oag n SER 196 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oag n GLY 197 N 1.36 -2.21 3.66 5.00 0.00 -1.20 -4.90 105.19 106.89 1oag n GLY 197 Ca 0.11 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1oag n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oag s GLU 198 N -0.22 4.23 -0.10 1.61 0.41 -1.26 -4.72 118.70 118.65 1oag s GLU 198 Ca 0.00 1.30 -0.03 0.00 -0.41 0.00 0.00 54.97 55.83 1oag s GLU 198 Cb 0.00 -3.65 -0.03 0.00 -1.78 0.00 0.00 34.13 28.66 1oag s GLU 198 CO 0.00 -0.67 0.01 0.21 -0.49 0.00 0.00 175.26 174.33 1oag s LYS 199 N 3.25 3.14 0.32 1.61 2.20 -1.26 -5.07 119.74 123.93 1oag s LYS 199 Ca 0.44 -0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 55.36 1oag s LYS 199 Cb -0.15 -2.86 -0.12 0.00 -1.51 0.00 0.00 37.83 33.20 1oag s LYS 199 CO 0.07 0.64 1.42 0.39 -0.36 0.00 0.00 175.35 177.51 1oag n GLU 200 N 2.35 2.36 0.00 4.03 -0.58 -1.26 -2.12 120.64 125.43 1oag n GLU 200 Ca -0.18 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 1oag n GLU 200 Cb 0.53 -2.51 0.00 0.00 -0.57 0.00 0.00 31.44 28.90 1oag n GLU 200 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1oag n GLY 201 N 1.24 2.33 3.65 0.62 0.00 -1.26 -5.04 105.19 106.73 1oag n GLY 201 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1oag n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oag s LEU 202 N 0.00 3.30 -0.09 0.99 1.43 -0.90 -4.45 118.68 118.96 1oag s LEU 202 Ca 0.00 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1oag s LEU 202 Cb 0.00 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1oag s LEU 202 CO 0.00 0.16 0.11 -0.22 0.23 0.00 0.00 176.35 176.63 1oag s LEU 203 N -2.39 4.18 -0.11 1.79 2.96 0.35 -4.73 118.68 120.73 1oag s LEU 203 Ca 0.25 0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 54.49 1oag s LEU 203 Cb -0.11 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.53 1oag s LEU 203 CO 0.17 0.38 0.03 -1.10 -1.32 0.00 0.00 176.35 174.50 1oag s GLN 204 N -1.16 0.43 0.62 1.98 -0.21 -1.26 -4.42 119.66 115.64 1oag s GLN 204 Ca 0.17 0.01 -0.15 0.00 0.02 0.00 0.00 55.36 55.41 1oag s GLN 204 Cb -0.12 -1.26 -0.02 0.00 1.00 0.00 0.00 33.01 32.61 1oag s GLN 204 CO 0.06 -0.43 1.06 -0.51 -2.12 0.00 0.00 175.29 173.36 1oag s LEU 205 N 2.00 3.42 0.40 2.90 1.43 -1.26 -4.91 118.68 122.66 1oag s LEU 205 Ca 0.03 1.81 0.13 0.00 -1.03 0.00 0.00 54.13 55.07 1oag s LEU 205 Cb -0.14 -4.53 0.96 0.00 0.03 0.00 0.00 46.19 42.51 1oag s LEU 205 CO -0.06 -1.29 1.90 -0.65 0.23 0.00 0.00 176.35 176.48 1oag h PRO 206 N 0.17 0.51 -0.07 1.29 0.11 -1.86 -1.22 132.00 130.93 1oag h PRO 206 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1oag h PRO 206 Cb 1.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1oag h PRO 206 CO 0.57 0.34 -0.26 0.66 -0.21 0.00 0.00 178.00 179.09 1oag h SER 207 N 0.52 0.11 -0.12 -2.05 4.64 -1.19 -1.19 113.55 114.26 1oag h SER 207 Ca 0.40 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.66 1oag h SER 207 Cb 0.80 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1oag h SER 207 CO -0.15 0.38 -0.05 0.44 -0.87 0.00 0.00 176.83 176.58 1oag h ASP 208 N 0.11 0.26 0.36 4.97 3.32 -1.56 -3.21 116.42 120.66 1oag h ASP 208 Ca 0.02 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 1oag h ASP 208 Cb 0.53 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1oag h ASP 208 CO 0.04 0.60 -0.10 0.11 -1.72 0.00 0.00 179.24 178.17 1oag h LYS 209 N -0.08 0.00 0.00 3.56 1.57 -0.89 -1.66 116.57 119.07 1oag h LYS 209 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1oag h LYS 209 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1oag h LYS 209 CO 0.02 0.10 -0.06 0.00 -0.57 0.00 0.00 179.45 178.94 1oag h ALA 210 N 1.90 1.64 0.00 3.86 0.00 -1.23 -1.58 119.26 123.85 1oag h ALA 210 Ca -0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1oag h ALA 210 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1oag h ALA 210 CO 0.01 0.07 -0.25 -0.07 0.00 0.00 0.00 179.25 179.01 1oag h LEU 211 N 0.00 0.00 -0.49 0.00 3.38 -1.41 -3.00 115.31 113.79 1oag h LEU 211 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1oag h LEU 211 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1oag h LEU 211 CO 0.01 0.25 -0.71 -0.07 0.09 0.00 0.00 178.44 178.01 1oag h LEU 212 N 0.00 0.00 -0.42 1.67 3.38 -1.43 -2.54 115.31 115.97 1oag h LEU 212 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oag h LEU 212 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1oag h LEU 212 CO 0.03 0.71 -0.58 -1.54 0.09 0.00 0.00 178.44 177.15 1oag n SER 213 N -3.59 1.20 -4.74 -0.43 3.41 -1.19 -4.64 113.62 103.64 1oag n SER 213 Ca -0.00 -1.10 -0.40 0.00 -0.26 0.00 0.00 58.87 57.10 1oag n SER 213 Cb 0.72 0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 65.38 1oag n SER 213 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oag s ASP 214 N -2.30 7.28 0.48 4.04 -1.08 -1.14 -4.96 116.67 118.99 1oag s ASP 214 Ca 0.10 1.53 0.19 0.00 -0.52 0.00 0.00 52.55 53.85 1oag s ASP 214 Cb 0.13 -2.50 1.21 0.00 -1.46 0.00 0.00 42.92 40.30 1oag s ASP 214 CO 0.56 -0.04 2.05 -0.65 0.52 0.00 0.00 175.17 177.61 1oag h PRO 215 N 5.84 0.00 0.15 4.34 0.11 -1.91 -0.67 132.00 139.85 1oag h PRO 215 Ca -0.43 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.36 1oag h PRO 215 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1oag h PRO 215 CO 0.72 0.14 -1.59 0.28 -0.21 0.00 0.00 178.00 177.33 1oag h VAL 216 N 0.00 0.97 -0.42 3.15 2.07 -1.94 -3.39 116.25 116.69 1oag h VAL 216 Ca -0.00 -2.45 -0.15 0.00 0.82 0.00 0.00 66.70 64.92 1oag h VAL 216 Cb 0.28 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1oag h VAL 216 CO 0.02 0.79 -0.33 -0.26 0.02 0.00 0.00 177.57 177.80 1oag h PHE 217 N -0.10 1.12 -0.43 1.57 0.04 -1.77 -3.34 116.94 114.04 1oag h PHE 217 Ca -0.33 -0.31 0.03 0.00 2.80 0.00 0.00 57.97 60.15 1oag h PHE 217 Cb 1.93 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.80 1oag h PHE 217 CO 0.11 1.14 0.23 -0.09 -0.60 0.00 0.00 178.31 179.11 1oag h ARG 218 N 0.79 0.45 -0.45 1.51 9.65 -0.67 -1.80 114.38 123.87 1oag h ARG 218 Ca 0.08 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 59.00 1oag h ARG 218 Cb 0.92 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.37 1oag h ARG 218 CO 0.09 0.30 0.30 -1.35 2.80 0.00 0.00 179.97 182.11 1oag h PRO 219 N 0.47 0.28 -0.22 0.20 0.11 -1.78 -0.71 132.00 130.35 1oag h PRO 219 Ca 0.18 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 1oag h PRO 219 Cb 0.05 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1oag h PRO 219 CO -0.10 0.19 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.72 1oag h LEU 220 N 0.29 0.46 -0.49 2.35 3.38 -1.49 -0.62 115.31 119.19 1oag h LEU 220 Ca 0.20 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.84 1oag h LEU 220 Cb 0.42 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1oag h LEU 220 CO -0.04 0.74 0.19 0.58 0.09 0.00 0.00 178.44 180.01 1oag h VAL 221 N 0.17 0.87 -0.59 1.22 2.07 -0.64 0.36 116.25 119.71 1oag h VAL 221 Ca 0.05 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1oag h VAL 221 Cb 0.56 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1oag h VAL 221 CO 0.03 0.07 0.33 0.44 0.02 0.00 0.00 177.57 178.46 1oag h ASP 222 N 0.39 0.73 -0.12 0.57 3.32 -1.04 -1.20 116.42 119.07 1oag h ASP 222 Ca 0.23 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1oag h ASP 222 Cb 0.22 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1oag h ASP 222 CO -0.22 0.60 0.07 0.50 -1.72 0.00 0.00 179.24 178.48 1oag h LYS 223 N 0.79 0.16 -0.44 3.56 3.64 -0.56 -1.94 116.57 121.78 1oag h LYS 223 Ca 0.21 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1oag h LYS 223 Cb 0.03 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1oag h LYS 223 CO -0.03 0.13 -0.12 1.88 -2.27 0.00 0.00 179.45 179.04 1oag h TYR 224 N 0.13 0.90 -0.25 1.91 0.05 -0.74 0.77 116.97 119.73 1oag h TYR 224 Ca 0.04 -0.17 -0.05 0.00 0.05 0.00 0.00 58.73 58.60 1oag h TYR 224 Cb 0.02 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 1oag h TYR 224 CO -0.06 0.89 -0.05 0.00 -1.05 0.00 0.00 178.16 177.89 1oag h ALA 225 N 1.13 1.45 0.00 3.88 0.00 -1.10 -3.01 119.26 121.62 1oag h ALA 225 Ca 0.12 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1oag h ALA 225 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1oag h ALA 225 CO 0.04 0.39 -0.94 0.00 0.00 0.00 0.00 179.25 178.74 1oag h ALA 226 N 1.58 0.64 -2.23 0.00 0.00 -0.73 -3.44 119.26 115.08 1oag h ALA 226 Ca 0.08 -0.33 -0.47 0.00 0.00 0.00 0.00 54.91 54.19 1oag h ALA 226 Cb 0.33 0.08 -0.35 0.00 0.00 0.00 0.00 17.79 17.85 1oag h ALA 226 CO 0.01 0.37 -0.78 0.34 0.00 0.00 0.00 179.25 179.20 1oag s ASP 227 N -5.75 1.86 0.43 0.00 -1.08 0.21 -4.99 116.67 107.35 1oag s ASP 227 Ca 0.00 -1.99 0.09 0.00 -0.52 0.00 0.00 52.55 50.13 1oag s ASP 227 Cb 0.08 0.10 0.94 0.00 -1.46 0.00 0.00 42.92 42.59 1oag s ASP 227 CO 0.78 -0.26 2.07 -0.08 0.52 0.00 0.00 175.17 178.19 1oag h GLU 228 N 6.83 0.40 -0.54 4.34 4.81 -1.83 -2.12 114.58 126.47 1oag h GLU 228 Ca 0.08 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1oag h GLU 228 Cb 1.01 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 1oag h GLU 228 CO 0.23 0.28 0.33 -0.44 -0.73 0.00 0.00 179.01 178.69 1oag h ASP 229 N 0.41 0.63 -0.76 1.04 3.32 -1.94 0.10 116.42 119.22 1oag h ASP 229 Ca 0.11 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1oag h ASP 229 Cb -0.02 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1oag h ASP 229 CO -0.02 0.49 0.26 0.00 -1.72 0.00 0.00 179.24 178.25 1oag h ALA 230 N 1.17 0.99 0.18 3.45 0.00 -1.77 -1.14 119.26 122.14 1oag h ALA 230 Ca 0.19 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1oag h ALA 230 Cb -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1oag h ALA 230 CO -0.04 0.65 -0.19 0.35 0.00 0.00 0.00 179.25 180.02 1oag h PHE 231 N 1.12 -0.50 -0.78 0.00 3.57 -1.03 -1.60 116.94 117.71 1oag h PHE 231 Ca 0.25 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.82 1oag h PHE 231 Cb 0.28 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 1oag h PHE 231 CO 0.02 -0.29 0.46 0.74 -2.23 0.00 0.00 178.31 177.02 1oag h PHE 232 N -0.41 0.86 -0.16 0.41 -1.00 -0.73 0.41 116.94 116.33 1oag h PHE 232 Ca 0.01 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 1oag h PHE 232 Cb 0.39 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1oag h PHE 232 CO -0.15 0.42 0.08 0.00 -1.61 0.00 0.00 178.31 177.05 1oag h ALA 233 N 1.39 0.20 -0.06 2.45 0.00 -1.09 -0.17 119.26 121.98 1oag h ALA 233 Ca 0.35 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 1oag h ALA 233 Cb 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1oag h ALA 233 CO -0.18 -0.25 -0.80 -0.44 0.00 0.00 0.00 179.25 177.58 1oag h ASP 234 N 0.14 0.51 0.22 0.00 5.19 -0.81 -2.26 116.42 119.41 1oag h ASP 234 Ca 0.05 -0.36 -0.01 0.00 -0.62 0.00 0.00 57.03 56.10 1oag h ASP 234 Cb 0.09 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1oag h ASP 234 CO -0.01 1.12 -0.11 0.22 -3.12 0.00 0.00 179.24 177.34 1oag h TYR 235 N 0.27 -0.28 -0.99 4.55 5.03 -0.12 -1.02 116.97 124.40 1oag h TYR 235 Ca -0.05 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.31 1oag h TYR 235 Cb 1.39 0.09 -0.06 0.00 1.55 0.00 0.00 36.73 39.70 1oag h TYR 235 CO 0.05 -0.12 0.65 0.00 -1.32 0.00 0.00 178.16 177.41 1oag h ALA 236 N 0.40 1.35 -0.14 1.82 0.00 -0.89 0.10 119.26 121.90 1oag h ALA 236 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1oag h ALA 236 Cb 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1oag h ALA 236 CO 0.05 0.49 0.07 1.49 0.00 0.00 0.00 179.25 181.35 1oag h GLU 237 N 1.21 0.20 -0.50 0.00 4.81 -1.29 -1.89 114.58 117.13 1oag h GLU 237 Ca 0.41 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.49 1oag h GLU 237 Cb 0.08 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1oag h GLU 237 CO -0.15 0.26 -0.17 0.00 -0.73 0.00 0.00 179.01 178.22 1oag h ALA 238 N 0.94 0.69 -0.43 2.92 0.00 -0.64 -2.02 119.26 120.72 1oag h ALA 238 Ca 0.05 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1oag h ALA 238 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1oag h ALA 238 CO -0.01 0.65 -0.18 1.25 0.00 0.00 0.00 179.25 180.96 1oag h HIS 239 N 0.85 1.01 -0.21 0.00 -0.00 -0.84 0.13 115.15 116.09 1oag h HIS 239 Ca 0.12 -0.24 0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1oag h HIS 239 Cb 0.74 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.88 1oag h HIS 239 CO 0.05 1.02 0.03 0.37 -0.00 0.00 0.00 177.93 179.40 1oag h GLN 240 N 0.71 0.11 -0.41 5.26 4.15 -1.20 0.04 115.11 123.77 1oag h GLN 240 Ca 0.10 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.54 1oag h GLN 240 Cb 0.74 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.38 1oag h GLN 240 CO 0.06 0.07 0.23 0.87 -1.93 0.00 0.00 178.83 178.13 1oag h LYS 241 N 0.11 0.45 -0.12 1.69 1.57 -0.91 -2.12 116.57 117.25 1oag h LYS 241 Ca 0.10 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1oag h LYS 241 Cb 0.10 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1oag h LYS 241 CO -0.14 0.30 -0.11 1.25 -0.57 0.00 0.00 179.45 180.18 1oag h LEU 242 N 0.47 -0.34 -1.03 2.94 5.85 -0.42 -1.43 115.31 121.33 1oag h LEU 242 Ca 0.17 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1oag h LEU 242 Cb 0.03 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1oag h LEU 242 CO -0.09 -0.15 0.00 -1.54 -0.34 0.00 0.00 178.44 176.32 1oag n SER 243 N -5.25 0.61 -0.46 1.25 3.41 -0.03 -2.66 113.62 110.49 1oag n SER 243 Ca -0.03 0.71 0.04 0.00 -0.26 0.00 0.00 58.87 59.33 1oag n SER 243 Cb 0.17 -0.82 0.11 0.00 -0.26 0.00 0.00 64.21 63.41 1oag n SER 243 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oag n GLU 244 N -2.24 2.78 -1.68 4.33 1.02 -0.60 -4.85 120.64 119.41 1oag n GLU 244 Ca 0.00 -1.86 -0.45 0.00 -0.02 0.00 0.00 57.16 54.84 1oag n GLU 244 Cb 0.14 -1.19 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 1oag n GLU 244 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1oag n LEU 245 N 0.25 3.38 0.00 -4.62 4.77 -0.86 -1.03 117.00 118.90 1oag n LEU 245 Ca 0.08 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 1oag n LEU 245 Cb 0.37 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 1oag n LEU 245 CO 0.06 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1oag n GLY 246 N 3.56 0.73 3.37 -0.72 0.00 -1.26 -4.31 105.19 106.56 1oag n GLY 246 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1oag n GLY 246 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1oag s PHE 247 N -3.15 2.73 -1.19 1.61 5.36 -0.19 -4.66 117.98 118.49 1oag s PHE 247 Ca 0.00 -0.58 -0.02 0.00 -0.96 0.00 0.00 56.93 55.37 1oag s PHE 247 Cb 0.00 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.92 1oag s PHE 247 CO 0.00 -0.14 0.30 0.00 -1.46 0.00 0.00 175.22 173.91 1oag n ALA 248 N 3.21 -0.62 -0.23 11.12 0.00 -1.26 -4.62 120.51 128.11 1oag n ALA 248 Ca -0.18 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1oag n ALA 248 Cb 0.53 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1oag n ALA 248 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1oag n ASP 249 N -1.20 -0.69 0.00 0.00 9.92 -1.26 -0.60 116.55 122.72 1oag n ASP 249 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1oag n ASP 249 Cb 0.60 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 1oag n ASP 249 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33