#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iaa s ALA 2 N 0.00 3.17 0.26 0.00 0.00 -0.05 -1.23 121.76 123.93 1iaa s ALA 2 Ca 0.00 -1.54 -0.30 0.00 0.00 0.00 0.00 51.96 50.12 1iaa s ALA 2 Cb 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 23.12 22.16 1iaa s ALA 2 CO 0.00 0.34 1.49 -1.50 0.00 0.00 0.00 175.76 176.09 1iaa s ILE 3 N -2.09 2.46 0.14 0.00 2.07 0.02 -1.20 121.20 122.61 1iaa s ILE 3 Ca 0.30 0.39 -0.30 0.00 -1.41 0.00 0.00 60.65 59.62 1iaa s ILE 3 Cb -0.07 -3.25 -0.07 0.00 0.13 0.00 0.00 42.46 39.19 1iaa s ILE 3 CO 0.19 0.06 1.20 -0.76 -1.91 0.00 0.00 174.94 173.72 1iaa s LEU 4 N -0.44 4.42 0.00 8.50 1.43 -1.26 -4.70 118.68 126.63 1iaa s LEU 4 Ca 0.60 2.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.86 1iaa s LEU 4 Cb -0.44 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.19 1iaa s LEU 4 CO 0.45 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1iaa n GLY 5 N 2.57 1.94 0.17 -3.19 0.00 -1.26 -4.86 105.19 100.56 1iaa n GLY 5 Ca 0.06 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.15 1iaa n GLY 5 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iaa h ASP 6 N 0.00 0.00 0.35 1.61 3.32 -1.99 -2.43 116.42 117.28 1iaa h ASP 6 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1iaa h ASP 6 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1iaa h ASP 6 CO 0.00 0.00 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.14 1iaa h GLU 7 N 0.00 0.00 -0.31 3.56 3.07 -1.98 -1.93 114.58 116.99 1iaa h GLU 7 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1iaa h GLU 7 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1iaa h GLU 7 CO 0.00 0.05 0.00 0.66 -1.40 0.00 0.00 179.01 178.32 1iaa n TYR 8 N -3.39 0.40 -3.41 4.33 4.01 -0.92 -4.89 117.16 113.30 1iaa n TYR 8 Ca -0.02 -0.20 -0.31 0.00 -0.16 0.00 0.00 57.90 57.21 1iaa n TYR 8 Cb 0.19 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.17 1iaa n TYR 8 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1iaa s LEU 9 N -1.33 4.14 -0.18 7.72 1.43 -0.73 -0.79 118.68 128.94 1iaa s LEU 9 Ca 0.32 0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 53.97 1iaa s LEU 9 Cb 0.17 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.77 1iaa s LEU 9 CO 0.24 -0.10 1.14 0.26 0.23 0.00 0.00 176.35 178.12 1iaa s TRP 10 N -1.88 3.15 0.04 0.29 0.52 -1.26 -4.79 118.94 115.01 1iaa s TRP 10 Ca 0.46 1.28 -0.33 0.00 0.02 0.00 0.00 56.10 57.53 1iaa s TRP 10 Cb -0.11 -3.37 -0.12 0.00 -1.15 0.00 0.00 33.47 28.72 1iaa s TRP 10 CO 0.24 -1.00 1.77 0.45 0.02 0.00 0.00 176.95 178.43 1iaa n SER 11 N 6.27 3.48 0.00 2.95 2.88 -1.26 -0.78 113.62 127.16 1iaa n SER 11 Ca 0.12 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1iaa n SER 11 Cb 0.46 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1iaa n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iaa n GLY 12 N 4.04 0.67 2.16 0.46 0.00 -1.26 -2.26 105.19 109.00 1iaa n GLY 12 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 1iaa n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iaa n GLY 13 N -2.01 0.52 3.70 -0.02 0.00 0.04 -4.54 105.19 102.89 1iaa n GLY 13 Ca 0.00 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1iaa n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iaa s VAL 14 N -1.95 5.31 -0.31 1.61 1.01 -0.96 -1.25 120.40 123.87 1iaa s VAL 14 Ca 0.00 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.45 1iaa s VAL 14 Cb 0.00 -3.60 0.09 0.00 0.00 0.00 0.00 36.38 32.87 1iaa s VAL 14 CO 0.00 0.36 -0.00 -0.63 0.00 0.00 0.00 175.10 174.82 1iaa s ILE 15 N 0.77 2.16 0.26 2.22 1.01 0.17 -4.43 121.20 123.37 1iaa s ILE 15 Ca 0.14 -2.04 -0.29 0.00 0.00 0.00 0.00 60.65 58.45 1iaa s ILE 15 Cb -0.13 -2.49 -0.09 0.00 0.01 0.00 0.00 42.46 39.76 1iaa s ILE 15 CO 0.04 -0.40 1.16 -2.84 0.00 0.00 0.00 174.94 172.89 1iaa s PRO 16 N 1.01 4.56 0.10 2.79 0.02 -1.26 -1.48 135.00 140.74 1iaa s PRO 16 Ca 0.04 1.88 0.03 0.00 0.02 0.00 0.00 61.00 62.98 1iaa s PRO 16 Cb -0.19 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 1iaa s PRO 16 CO -0.08 0.07 -0.09 1.52 -0.33 0.00 0.00 177.00 178.09 1iaa s TYR 17 N -0.84 1.02 0.15 6.54 -0.85 0.09 -0.76 117.35 122.70 1iaa s TYR 17 Ca 0.47 -0.68 0.07 0.00 -0.52 0.00 0.00 57.07 56.41 1iaa s TYR 17 Cb -0.33 -0.56 -0.04 0.00 0.38 0.00 0.00 41.96 41.40 1iaa s TYR 17 CO 0.42 -0.02 -0.14 0.95 -1.52 0.00 0.00 175.55 175.23 1iaa s THR 18 N -2.56 1.48 -0.18 -3.49 -4.23 0.40 -1.10 115.64 105.96 1iaa s THR 18 Ca 0.06 -1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 58.57 1iaa s THR 18 Cb -0.02 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 1iaa s THR 18 CO -0.01 -0.50 0.06 -0.36 -0.54 0.00 0.00 174.62 173.27 1iaa s PHE 19 N -2.53 3.25 -0.52 3.99 0.08 -1.26 -1.08 117.98 119.91 1iaa s PHE 19 Ca 0.15 0.08 -0.06 0.00 0.12 0.00 0.00 56.93 57.22 1iaa s PHE 19 Cb -0.03 -2.06 0.14 0.00 -0.57 0.00 0.00 43.02 40.49 1iaa s PHE 19 CO 0.04 0.17 0.36 0.00 -0.10 0.00 0.00 175.22 175.70 1iaa s ALA 20 N 0.30 3.43 -0.98 5.36 0.00 0.57 -4.71 121.76 125.73 1iaa s ALA 20 Ca 0.03 -2.80 -0.03 0.00 0.00 0.00 0.00 51.96 49.16 1iaa s ALA 20 Cb -0.12 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1iaa s ALA 20 CO 0.00 -1.96 0.83 0.41 0.00 0.00 0.00 175.76 175.05 1iaa n GLY 21 N 4.34 -0.18 3.61 0.00 0.00 -1.26 -4.38 105.19 107.32 1iaa n GLY 21 Ca -0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1iaa n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iaa s VAL 22 N -3.26 4.39 0.72 1.61 1.01 -1.26 -4.63 120.40 118.97 1iaa s VAL 22 Ca 0.22 -0.19 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1iaa s VAL 22 Cb -0.10 -2.92 0.03 0.00 0.00 0.00 0.00 36.38 33.39 1iaa s VAL 22 CO 0.56 0.52 1.16 -0.94 0.00 0.00 0.00 175.10 176.40 1iaa s SER 23 N -0.04 4.45 0.25 3.32 1.04 -1.26 -4.76 113.70 116.70 1iaa s SER 23 Ca 0.04 2.19 -0.04 0.00 0.48 0.00 0.00 55.95 58.62 1iaa s SER 23 Cb -0.13 -2.57 0.46 0.00 0.10 0.00 0.00 66.02 63.88 1iaa s SER 23 CO 0.02 -2.08 1.75 1.23 0.98 0.00 0.00 173.24 175.14 1iaa h GLY 24 N -0.33 1.20 2.00 7.32 0.00 -1.98 0.17 103.07 111.45 1iaa h GLY 24 Ca -0.47 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 46.52 1iaa h GLY 24 CO 0.51 -0.05 -0.70 0.00 0.00 0.00 0.00 176.54 176.30 1iaa h ALA 25 N 1.53 0.83 -0.13 3.60 0.00 -2.00 -0.99 119.26 122.10 1iaa h ALA 25 Ca 0.42 -0.64 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 1iaa h ALA 25 Cb 0.59 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1iaa h ALA 25 CO -0.37 0.87 -0.65 -0.44 0.00 0.00 0.00 179.25 178.67 1iaa h ASP 26 N 0.00 0.57 -0.61 0.00 3.32 -1.69 -2.71 116.42 115.30 1iaa h ASP 26 Ca -0.01 -0.34 -0.06 0.00 0.02 0.00 0.00 57.03 56.64 1iaa h ASP 26 Cb 1.25 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1iaa h ASP 26 CO 0.09 1.07 0.18 1.56 -1.72 0.00 0.00 179.24 180.42 1iaa h GLN 27 N 0.36 1.00 -0.60 3.56 4.20 -0.32 -0.90 115.11 122.41 1iaa h GLN 27 Ca -0.02 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 1iaa h GLN 27 Cb 1.21 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 1iaa h GLN 27 CO 0.12 0.87 0.20 0.77 -0.67 0.00 0.00 178.83 180.12 1iaa h SER 28 N 0.96 0.86 -0.28 1.46 0.02 -1.11 -0.72 113.55 114.73 1iaa h SER 28 Ca 0.21 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1iaa h SER 28 Cb 0.30 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1iaa h SER 28 CO -0.00 0.83 0.12 0.00 -1.14 0.00 0.00 176.83 176.63 1iaa h ALA 29 N 1.07 0.36 -0.58 3.77 0.00 -1.10 -2.18 119.26 120.60 1iaa h ALA 29 Ca 0.20 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1iaa h ALA 29 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1iaa h ALA 29 CO -0.01 -0.05 0.01 0.82 0.00 0.00 0.00 179.25 180.02 1iaa h ILE 30 N 0.31 1.26 -0.45 0.00 2.04 -1.01 -1.47 117.51 118.18 1iaa h ILE 30 Ca 0.09 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 1iaa h ILE 30 Cb 0.17 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1iaa h ILE 30 CO -0.01 0.40 -0.03 -0.07 0.00 0.00 0.00 178.15 178.45 1iaa h LEU 31 N 0.93 0.73 -1.04 1.44 3.38 -1.07 -0.27 115.31 119.40 1iaa h LEU 31 Ca 0.17 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1iaa h LEU 31 Cb 0.53 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1iaa h LEU 31 CO 0.03 0.82 -0.22 -1.28 0.09 0.00 0.00 178.44 177.87 1iaa h SER 32 N 0.71 0.41 -0.30 -0.43 0.87 -0.94 0.18 113.55 114.05 1iaa h SER 32 Ca 0.13 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1iaa h SER 32 Cb 0.47 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1iaa h SER 32 CO 0.02 0.64 0.06 1.23 -0.53 0.00 0.00 176.83 178.25 1iaa h GLY 33 N 0.99 0.52 0.62 5.77 0.00 -0.39 -2.51 103.07 108.07 1iaa h GLY 33 Ca 0.06 -0.34 0.11 0.00 0.00 0.00 0.00 47.33 47.16 1iaa h GLY 33 CO 0.04 0.32 0.60 -0.33 0.00 0.00 0.00 176.54 177.17 1iaa h MET 34 N 0.31 0.88 -0.73 4.80 2.07 -0.42 -2.91 114.93 118.93 1iaa h MET 34 Ca 0.09 -0.05 -0.06 0.00 -2.07 0.00 0.00 59.70 57.60 1iaa h MET 34 Cb 0.32 -0.20 -0.03 0.00 -1.87 0.00 0.00 31.60 29.83 1iaa h MET 34 CO 0.00 0.58 0.21 0.37 1.07 0.00 0.00 176.91 179.14 1iaa h GLN 35 N 0.91 1.15 -0.62 1.72 4.15 -0.24 -0.68 115.11 121.49 1iaa h GLN 35 Ca 0.44 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1iaa h GLN 35 Cb 0.46 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1iaa h GLN 35 CO -0.21 0.99 0.40 1.49 -1.93 0.00 0.00 178.83 179.57 1iaa h GLU 36 N 1.10 0.83 -0.84 1.69 4.81 -1.29 -0.43 114.58 120.44 1iaa h GLU 36 Ca 0.23 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1iaa h GLU 36 Cb 0.34 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1iaa h GLU 36 CO -0.00 0.57 0.55 -0.07 -0.73 0.00 0.00 179.01 179.33 1iaa h LEU 37 N 0.84 0.95 -0.72 1.64 3.38 -1.20 -2.09 115.31 118.11 1iaa h LEU 37 Ca 0.23 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1iaa h LEU 37 Cb -0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1iaa h LEU 37 CO -0.05 0.68 -0.56 -0.33 0.09 0.00 0.00 178.44 178.27 1iaa h GLU 38 N 1.12 0.00 -0.13 1.13 5.08 -0.75 -0.21 114.58 120.82 1iaa h GLU 38 Ca 0.32 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1iaa h GLU 38 Cb -0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1iaa h GLU 38 CO -0.08 0.56 -0.58 0.93 -1.00 0.00 0.00 179.01 178.85 1iaa h GLU 39 N 0.00 0.42 0.00 2.33 5.08 -0.56 -3.33 114.58 118.52 1iaa h GLU 39 Ca -0.01 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1iaa h GLU 39 Cb 1.10 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1iaa h GLU 39 CO 0.07 0.88 -1.51 1.63 -1.00 0.00 0.00 179.01 179.08 1iaa n LYS 40 N -3.92 0.39 -4.31 2.33 5.02 -0.83 -4.99 118.16 111.84 1iaa n LYS 40 Ca -0.03 -0.10 -0.17 0.00 -2.02 0.00 0.00 58.31 55.99 1iaa n LYS 40 Cb 0.61 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 1iaa n LYS 40 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1iaa s THR 41 N -3.25 0.37 -2.15 -0.18 -4.23 -0.10 -4.85 115.64 101.24 1iaa s THR 41 Ca -0.00 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.75 1iaa s THR 41 Cb 0.15 -2.56 0.62 0.00 1.34 0.00 0.00 72.50 72.04 1iaa s THR 41 CO 0.88 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 176.78 1iaa s ILE 43 N -1.95 3.18 -0.08 0.00 -1.09 -1.26 -4.84 121.20 115.15 1iaa s ILE 43 Ca 0.36 0.98 0.02 0.00 -2.23 0.00 0.00 60.65 59.78 1iaa s ILE 43 Cb 0.18 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.45 1iaa s ILE 43 CO 0.29 0.15 -0.14 -0.13 -1.23 0.00 0.00 174.94 173.87 1iaa s ARG 44 N -0.16 1.98 -0.21 2.79 1.81 -0.38 -4.25 118.95 120.52 1iaa s ARG 44 Ca 0.57 -0.50 -0.10 0.00 -1.72 0.00 0.00 55.73 53.97 1iaa s ARG 44 Cb -0.37 -1.61 -0.05 0.00 -0.45 0.00 0.00 34.95 32.47 1iaa s ARG 44 CO 0.39 0.03 0.15 -0.06 -0.68 0.00 0.00 175.30 175.14 1iaa s PHE 45 N 0.67 3.38 0.01 -0.53 0.08 -1.26 -0.65 117.98 119.68 1iaa s PHE 45 Ca -0.14 0.31 0.05 0.00 0.12 0.00 0.00 56.93 57.27 1iaa s PHE 45 Cb -0.16 -2.21 -0.01 0.00 -0.57 0.00 0.00 43.02 40.06 1iaa s PHE 45 CO 0.04 0.20 -0.15 0.14 -0.10 0.00 0.00 175.22 175.36 1iaa s VAL 46 N 0.62 1.15 0.08 -0.44 -7.23 -0.55 -4.95 120.40 109.08 1iaa s VAL 46 Ca 0.09 -0.75 -0.34 0.00 -1.81 0.00 0.00 61.98 59.17 1iaa s VAL 46 Cb -0.12 -0.98 -0.13 0.00 0.56 0.00 0.00 36.38 35.71 1iaa s VAL 46 CO 0.01 0.22 1.71 -2.65 -0.31 0.00 0.00 175.10 174.08 1iaa n PRO 47 N 2.44 2.25 -2.08 4.82 -0.02 -1.26 -0.73 135.00 140.41 1iaa n PRO 47 Ca -0.15 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1iaa n PRO 47 Cb 0.55 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1iaa n PRO 47 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1iaa s ARG 48 N 2.15 4.29 0.00 -0.52 3.00 -0.26 -4.74 118.95 122.87 1iaa s ARG 48 Ca 0.84 2.20 0.00 0.00 -1.00 0.00 0.00 55.73 57.76 1iaa s ARG 48 Cb -0.66 -3.19 0.00 0.00 0.00 0.00 0.00 34.95 31.11 1iaa s ARG 48 CO 0.42 -0.45 0.00 0.25 0.00 0.00 0.00 175.30 175.52 1iaa n THR 49 N 3.44 0.00 0.58 4.11 -2.24 -1.26 -4.95 114.28 113.95 1iaa n THR 49 Ca 0.10 0.11 0.06 0.00 -2.27 0.00 0.00 64.05 62.05 1iaa n THR 49 Cb 0.41 -0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 67.61 1iaa n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1iaa n THR 50 N -1.86 0.00 -1.96 4.28 -2.24 -1.26 -5.02 114.28 106.22 1iaa n THR 50 Ca 0.00 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 1iaa n THR 50 Cb 0.00 0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 1iaa n THR 50 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1iaa s GLU 51 N -2.21 4.15 0.06 -0.78 8.01 -1.26 -4.93 118.70 121.74 1iaa s GLU 51 Ca 0.05 2.37 -0.01 0.00 0.01 0.00 0.00 54.97 57.38 1iaa s GLU 51 Cb 0.09 -2.95 -0.26 0.00 -4.31 0.00 0.00 34.13 26.70 1iaa s GLU 51 CO 0.52 -0.42 1.07 0.66 0.01 0.00 0.00 175.26 177.10 1iaa h SER 52 N 3.05 0.30 -3.68 -0.19 4.64 -1.95 -3.43 113.55 112.29 1iaa h SER 52 Ca -0.50 -0.36 -0.62 0.00 -0.47 0.00 0.00 61.79 59.84 1iaa h SER 52 Cb 1.24 -0.10 -0.15 0.00 -0.31 0.00 0.00 62.40 63.08 1iaa h SER 52 CO 0.64 1.29 -0.47 -1.81 -0.87 0.00 0.00 176.83 175.61 1iaa s ASP 53 N -6.95 6.12 0.17 4.97 1.01 -1.26 -3.36 116.67 117.37 1iaa s ASP 53 Ca -0.04 0.12 -0.24 0.00 0.71 0.00 0.00 52.55 53.10 1iaa s ASP 53 Cb 0.08 -2.13 0.06 0.00 1.01 0.00 0.00 42.92 41.94 1iaa s ASP 53 CO 0.86 0.00 0.81 -0.72 0.21 0.00 0.00 175.17 176.33 1iaa s TYR 54 N 1.35 -0.25 -0.21 4.23 1.13 -0.94 -4.60 117.35 118.05 1iaa s TYR 54 Ca 0.09 -0.06 -0.12 0.00 -1.41 0.00 0.00 57.07 55.57 1iaa s TYR 54 Cb -0.14 0.63 -0.05 0.00 -1.10 0.00 0.00 41.96 41.30 1iaa s TYR 54 CO 0.07 -0.92 0.21 0.08 -2.51 0.00 0.00 175.55 172.49 1iaa s VAL 55 N -3.54 5.33 -0.39 -3.49 1.01 0.06 -0.96 120.40 118.42 1iaa s VAL 55 Ca 0.09 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 1iaa s VAL 55 Cb -0.03 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1iaa s VAL 55 CO -0.01 0.35 0.23 -0.70 0.00 0.00 0.00 175.10 174.98 1iaa s GLU 56 N 0.89 2.77 -0.17 2.72 2.12 0.45 -0.46 118.70 127.03 1iaa s GLU 56 Ca 0.11 -1.20 -0.19 0.00 0.36 0.00 0.00 54.97 54.05 1iaa s GLU 56 Cb -0.13 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 1iaa s GLU 56 CO 0.04 -0.79 0.55 0.42 -0.54 0.00 0.00 175.26 174.94 1iaa s ILE 57 N 1.53 5.10 0.03 -3.70 1.01 -0.24 -0.97 121.20 123.95 1iaa s ILE 57 Ca 0.02 1.04 -0.02 0.00 0.00 0.00 0.00 60.65 61.69 1iaa s ILE 57 Cb -0.20 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1iaa s ILE 57 CO 0.06 0.21 0.02 0.72 0.00 0.00 0.00 174.94 175.94 1iaa s PHE 58 N 1.38 0.28 -0.60 3.97 -0.71 -0.98 -0.32 117.98 121.00 1iaa s PHE 58 Ca 0.26 -0.60 0.05 0.00 -1.04 0.00 0.00 56.93 55.60 1iaa s PHE 58 Cb -0.16 -0.21 0.05 0.00 -1.21 0.00 0.00 43.02 41.50 1iaa s PHE 58 CO 0.11 -0.29 0.70 0.25 -1.34 0.00 0.00 175.22 174.65 1iaa n THR 59 N 1.04 0.10 1.36 -4.49 -2.24 -1.26 -1.55 114.28 107.25 1iaa n THR 59 Ca -0.20 -0.55 0.14 0.00 -2.27 0.00 0.00 64.05 61.16 1iaa n THR 59 Cb 0.57 1.04 0.49 0.00 -2.10 0.00 0.00 70.33 70.34 1iaa n THR 59 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1iaa n SER 60 N 0.25 0.90 -2.47 3.42 3.41 -1.26 -1.34 113.62 116.52 1iaa n SER 60 Ca 0.03 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1iaa n SER 60 Cb 0.15 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1iaa n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iaa n GLY 61 N 1.28 1.03 2.83 5.00 0.00 -1.26 -5.02 105.19 109.05 1iaa n GLY 61 Ca 0.14 -1.57 -0.23 0.00 0.00 0.00 0.00 46.02 44.36 1iaa n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iaa s SER 62 N -1.00 1.59 0.00 1.61 0.15 -1.26 -4.79 113.70 109.99 1iaa s SER 62 Ca 0.00 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1iaa s SER 62 Cb 0.00 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1iaa s SER 62 CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1iaa n GLY 63 N 4.86 -1.18 3.42 9.45 0.00 -1.26 -4.90 105.19 115.58 1iaa n GLY 63 Ca -0.12 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 1iaa n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iaa s TRP 65 N 0.83 -0.34 -0.02 0.00 1.48 -0.69 -5.00 118.94 115.20 1iaa s TRP 65 Ca -0.01 0.14 -0.29 0.00 -1.06 0.00 0.00 56.10 54.88 1iaa s TRP 65 Cb -0.15 0.57 0.08 0.00 -1.16 0.00 0.00 33.47 32.82 1iaa s TRP 65 CO 0.02 -0.70 0.72 0.45 -4.06 0.00 0.00 176.95 173.38 1iaa s SER 66 N -2.65 -0.58 0.63 -2.66 0.15 -1.26 -1.34 113.70 105.99 1iaa s SER 66 Ca 0.06 0.48 -0.14 0.00 0.70 0.00 0.00 55.95 57.05 1iaa s SER 66 Cb -0.01 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 1iaa s SER 66 CO -0.07 -0.65 1.06 -0.31 1.20 0.00 0.00 173.24 174.47 1iaa s TYR 67 N -1.84 3.00 -0.33 3.44 2.02 -1.26 -4.89 117.35 117.49 1iaa s TYR 67 Ca -0.06 1.49 -0.18 0.00 -0.37 0.00 0.00 57.07 57.94 1iaa s TYR 67 Cb -0.00 -2.98 -0.01 0.00 -0.40 0.00 0.00 41.96 38.57 1iaa s TYR 67 CO 0.03 -1.20 0.54 0.08 -1.57 0.00 0.00 175.55 173.43 1iaa s VAL 68 N -2.65 5.01 0.00 0.71 1.01 -1.26 -2.91 120.40 120.31 1iaa s VAL 68 Ca 0.62 0.55 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1iaa s VAL 68 Cb -0.16 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1iaa s VAL 68 CO 0.43 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1iaa n GLY 69 N 4.65 -2.31 3.57 4.51 0.00 -0.24 -4.73 105.19 110.66 1iaa n GLY 69 Ca -0.04 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1iaa n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iaa s ARG 70 N -0.76 3.56 0.00 1.61 3.52 0.03 -4.79 118.95 122.12 1iaa s ARG 70 Ca 0.00 0.23 0.25 0.00 -0.13 0.00 0.00 55.73 56.08 1iaa s ARG 70 Cb 0.00 -3.94 0.52 0.00 -1.56 0.00 0.00 34.95 29.97 1iaa s ARG 70 CO 0.00 -1.34 1.44 0.44 -0.81 0.00 0.00 175.30 175.04 1iaa n ILE 71 N 6.54 0.00 -0.49 4.11 -5.35 -1.26 -4.60 119.36 118.30 1iaa n ILE 71 Ca 0.07 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1iaa n ILE 71 Cb 0.49 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 1iaa n ILE 71 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1iaa n SER 72 N 0.66 -2.78 0.00 7.28 3.41 -1.26 -5.09 113.62 115.84 1iaa n SER 72 Ca 0.15 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1iaa n SER 72 Cb 0.48 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1iaa n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iaa n GLY 73 N -1.68 -2.27 3.67 5.00 0.00 -1.25 -4.75 105.19 103.91 1iaa n GLY 73 Ca 0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1iaa n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iaa s ALA 74 N -1.02 3.61 -0.08 4.61 0.00 -1.21 -2.21 121.76 125.45 1iaa s ALA 74 Ca 0.00 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1iaa s ALA 74 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1iaa s ALA 74 CO 0.00 -1.10 -0.21 1.14 0.00 0.00 0.00 175.76 175.60 1iaa s GLN 75 N 3.14 2.49 0.32 0.00 -2.07 -0.13 -4.95 119.66 118.45 1iaa s GLN 75 Ca 0.61 -0.75 -0.24 0.00 -1.82 0.00 0.00 55.36 53.16 1iaa s GLN 75 Cb -0.27 -1.98 -0.10 0.00 -1.09 0.00 0.00 33.01 29.57 1iaa s GLN 75 CO 0.22 0.20 0.91 -0.65 -1.32 0.00 0.00 175.29 174.64 1iaa s GLN 76 N 0.27 4.49 -0.24 9.60 -0.21 -1.26 -0.41 119.66 131.90 1iaa s GLN 76 Ca -0.13 1.22 0.02 0.00 0.02 0.00 0.00 55.36 56.50 1iaa s GLN 76 Cb -0.16 -2.75 0.05 0.00 1.00 0.00 0.00 33.01 31.16 1iaa s GLN 76 CO 0.06 0.27 -0.13 0.08 -2.12 0.00 0.00 175.29 173.44 1iaa s VAL 77 N -1.66 2.14 -0.23 1.09 1.01 -0.15 -4.27 120.40 118.33 1iaa s VAL 77 Ca 0.50 -1.46 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 1iaa s VAL 77 Cb -0.17 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1iaa s VAL 77 CO 0.22 0.11 0.63 -0.55 0.00 0.00 0.00 175.10 175.51 1iaa s SER 78 N 1.15 6.63 -0.61 3.32 0.15 -0.45 -2.32 113.70 121.57 1iaa s SER 78 Ca -0.05 0.77 0.04 0.00 0.70 0.00 0.00 55.95 57.41 1iaa s SER 78 Cb -0.18 -2.34 0.16 0.00 -1.71 0.00 0.00 66.02 61.95 1iaa s SER 78 CO -0.07 -0.32 0.43 -0.76 1.20 0.00 0.00 173.24 173.72 1iaa s LEU 79 N 2.20 3.85 0.08 3.45 1.43 -0.59 -1.71 118.68 127.39 1iaa s LEU 79 Ca 0.27 -3.54 -0.37 0.00 -1.03 0.00 0.00 54.13 49.47 1iaa s LEU 79 Cb -0.16 -1.31 -0.16 0.00 0.03 0.00 0.00 46.19 44.59 1iaa s LEU 79 CO 0.09 -0.12 1.39 1.67 0.23 0.00 0.00 176.35 179.60 1iaa n GLN 80 N 2.34 1.26 -0.20 1.70 7.27 -1.10 -4.24 117.38 124.42 1iaa n GLN 80 Ca 0.21 0.46 -0.00 0.00 0.07 0.00 0.00 57.00 57.73 1iaa n GLN 80 Cb 0.38 -2.12 0.10 0.00 2.41 0.00 0.00 30.24 31.02 1iaa n GLN 80 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1iaa h ALA 81 N 4.84 0.73 -2.73 1.69 0.00 -1.54 -1.74 119.26 120.51 1iaa h ALA 81 Ca -0.47 0.10 -0.74 0.00 0.00 0.00 0.00 54.91 53.80 1iaa h ALA 81 Cb 1.33 0.11 -0.29 0.00 0.00 0.00 0.00 17.79 18.93 1iaa h ALA 81 CO 0.80 -0.25 -0.26 -0.80 0.00 0.00 0.00 179.25 178.74 1iaa s ASN 82 N -5.35 5.90 0.00 0.00 0.01 -1.26 -4.38 114.94 109.86 1iaa s ASN 82 Ca -0.13 -2.26 0.00 0.00 -0.71 0.00 0.00 52.86 49.76 1iaa s ASN 82 Cb 0.17 -2.05 0.00 0.00 0.41 0.00 0.00 41.25 39.79 1iaa s ASN 82 CO 0.74 -0.62 0.00 0.61 -1.51 0.00 0.00 177.10 176.32 1iaa n GLY 83 N 4.46 1.27 0.00 0.66 0.00 -1.21 -4.99 105.19 105.37 1iaa n GLY 83 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1iaa n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iaa n VAL 85 N -0.85 3.74 -4.40 0.00 0.31 -1.25 -4.24 118.33 111.64 1iaa n VAL 85 Ca 0.00 -3.45 -0.19 0.00 -0.01 0.00 0.00 64.34 60.68 1iaa n VAL 85 Cb 0.00 -2.53 -0.14 0.00 -0.91 0.00 0.00 33.84 30.26 1iaa n VAL 85 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1iaa s TYR 86 N 2.30 1.05 0.19 3.52 2.02 -1.26 -5.04 117.35 120.12 1iaa s TYR 86 Ca 0.45 -0.27 -0.15 0.00 -0.37 0.00 0.00 57.07 56.72 1iaa s TYR 86 Cb 0.13 -0.65 0.16 0.00 -0.40 0.00 0.00 41.96 41.20 1iaa s TYR 86 CO -0.06 -0.00 1.65 1.25 -1.57 0.00 0.00 175.55 176.81 1iaa h HIS 87 N 5.42 -0.29 -0.62 2.71 2.76 -1.89 0.25 115.15 123.48 1iaa h HIS 87 Ca -0.35 0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 57.80 1iaa h HIS 87 Cb 1.18 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 30.32 1iaa h HIS 87 CO 0.47 -0.23 0.12 0.78 -1.30 0.00 0.00 177.93 177.77 1iaa h GLY 88 N -0.01 1.09 0.93 5.26 0.00 -1.71 -1.73 103.07 106.91 1iaa h GLY 88 Ca 0.25 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1iaa h GLY 88 CO -0.53 0.66 0.09 -0.84 0.00 0.00 0.00 176.54 175.92 1iaa h THR 89 N 0.93 1.23 -0.48 4.70 2.02 -1.43 -0.82 112.91 119.06 1iaa h THR 89 Ca 0.19 -0.78 0.08 0.00 0.77 0.00 0.00 66.41 66.68 1iaa h THR 89 Cb 0.40 1.02 -0.07 0.00 -1.74 0.00 0.00 68.15 67.76 1iaa h THR 89 CO 0.01 0.27 0.07 0.40 0.37 0.00 0.00 175.52 176.64 1iaa h ILE 90 N 0.46 0.70 -0.47 3.11 2.04 -0.72 -1.26 117.51 121.37 1iaa h ILE 90 Ca 0.12 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 1iaa h ILE 90 Cb 0.31 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1iaa h ILE 90 CO 0.00 0.04 0.13 0.40 0.00 0.00 0.00 178.15 178.72 1iaa h ILE 91 N 0.20 1.23 -0.36 -0.67 2.04 -1.23 -2.59 117.51 116.13 1iaa h ILE 91 Ca 0.24 -0.79 0.07 0.00 1.00 0.00 0.00 64.86 65.38 1iaa h ILE 91 Cb 0.33 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 1iaa h ILE 91 CO -0.34 0.29 -0.07 -0.74 0.00 0.00 0.00 178.15 177.29 1iaa h HIS 92 N 0.64 -0.15 -0.26 1.37 2.76 -0.34 0.02 115.15 119.18 1iaa h HIS 92 Ca 0.15 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.19 1iaa h HIS 92 Cb 0.30 0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 1iaa h HIS 92 CO 0.02 -0.14 -0.50 0.93 -1.30 0.00 0.00 177.93 176.94 1iaa h GLU 93 N 0.02 0.73 -0.07 5.26 4.39 -1.21 -2.41 114.58 121.29 1iaa h GLU 93 Ca 0.18 -0.43 -0.10 0.00 0.34 0.00 0.00 59.36 59.34 1iaa h GLU 93 Cb 0.26 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1iaa h GLU 93 CO -0.36 1.06 -0.41 -0.07 -1.16 0.00 0.00 179.01 178.07 1iaa h LEU 94 N 0.57 0.15 -0.57 1.33 3.38 -1.13 -2.42 115.31 116.62 1iaa h LEU 94 Ca 0.02 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1iaa h LEU 94 Cb 1.07 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1iaa h LEU 94 CO 0.10 0.55 -0.57 -0.03 0.09 0.00 0.00 178.44 178.58 1iaa h MET 95 N 0.12 0.43 -0.11 1.13 4.05 -0.87 0.22 114.93 119.90 1iaa h MET 95 Ca 0.01 -0.28 0.04 0.00 -0.28 0.00 0.00 59.70 59.20 1iaa h MET 95 Cb 0.78 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.55 1iaa h MET 95 CO 0.06 0.88 -0.34 0.45 0.23 0.00 0.00 176.91 178.19 1iaa h HIS 96 N 0.33 -0.93 -1.00 1.39 3.86 -1.24 -2.26 115.15 115.29 1iaa h HIS 96 Ca 0.00 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.31 1iaa h HIS 96 Cb 1.10 0.43 -0.07 0.00 1.06 0.00 0.00 27.41 29.93 1iaa h HIS 96 CO 0.04 -0.41 0.65 0.00 0.86 0.00 0.00 177.93 179.06 1iaa h ALA 97 N 0.35 1.39 -0.81 2.45 0.00 -0.89 0.00 119.26 121.74 1iaa h ALA 97 Ca 0.09 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1iaa h ALA 97 Cb 0.56 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1iaa h ALA 97 CO -0.35 0.46 0.53 0.82 0.00 0.00 0.00 179.25 180.71 1iaa h ILE 98 N 1.19 0.99 0.00 0.00 2.04 -0.82 -2.36 117.51 118.55 1iaa h ILE 98 Ca 0.43 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1iaa h ILE 98 Cb 0.14 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1iaa h ILE 98 CO -0.17 0.15 0.00 0.61 0.00 0.00 0.00 178.15 178.74 1iaa n GLY 99 N -1.43 0.00 3.42 5.37 0.00 -0.18 -4.60 105.19 107.76 1iaa n GLY 99 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1iaa n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iaa s PHE 100 N 0.00 2.56 0.46 1.61 0.40 -0.89 -0.80 117.98 121.32 1iaa s PHE 100 Ca 0.00 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1iaa s PHE 100 Cb 0.00 -1.57 0.10 0.00 0.51 0.00 0.00 43.02 42.05 1iaa s PHE 100 CO 0.00 0.11 0.63 0.66 0.70 0.00 0.00 175.22 177.32 1iaa n TYR 101 N 2.31 -3.33 -2.48 0.36 4.01 -0.36 -4.08 117.16 113.58 1iaa n TYR 101 Ca -0.17 -0.95 -0.35 0.00 -0.16 0.00 0.00 57.90 56.28 1iaa n TYR 101 Cb 0.52 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 1iaa n TYR 101 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1iaa s HIS 102 N -1.94 2.97 0.12 -0.72 3.76 -1.26 -4.25 115.29 113.96 1iaa s HIS 102 Ca 0.40 1.58 -0.14 0.00 -0.15 0.00 0.00 55.06 56.75 1iaa s HIS 102 Cb -0.02 -3.13 -0.05 0.00 1.11 0.00 0.00 32.58 30.49 1iaa s HIS 102 CO 0.27 -0.96 1.48 1.49 -0.85 0.00 0.00 174.74 176.17 1iaa h GLU 103 N 1.64 0.76 0.00 1.40 4.57 -1.60 -3.11 114.58 118.25 1iaa h GLU 103 Ca -0.49 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.34 1iaa h GLU 103 Cb 1.23 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1iaa h GLU 103 CO 0.59 0.97 0.00 -2.39 -1.18 0.00 0.00 179.01 177.00 1iaa n HIS 104 N -4.27 0.00 -0.53 0.92 1.44 -1.26 -1.78 115.22 109.73 1iaa n HIS 104 Ca -0.02 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.74 1iaa n HIS 104 Cb 0.43 -0.02 0.12 0.00 0.12 0.00 0.00 29.99 30.63 1iaa n HIS 104 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1iaa n THR 105 N -1.02 1.49 -1.17 0.61 -2.24 -1.18 -4.87 114.28 105.90 1iaa n THR 105 Ca 0.15 -1.53 -0.35 0.00 -2.27 0.00 0.00 64.05 60.04 1iaa n THR 105 Cb 0.08 0.15 0.09 0.00 -2.10 0.00 0.00 70.33 68.54 1iaa n THR 105 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iaa n ARG 106 N -0.58 0.22 0.14 -0.78 1.74 -0.73 -0.73 116.66 115.94 1iaa n ARG 106 Ca 0.11 0.13 0.06 0.00 -0.77 0.00 0.00 57.85 57.37 1iaa n ARG 106 Cb 0.52 -2.02 0.53 0.00 -1.02 0.00 0.00 32.46 30.47 1iaa n ARG 106 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1iaa h MET 107 N -0.64 0.24 -0.64 5.56 2.86 -1.92 -1.98 114.93 118.41 1iaa h MET 107 Ca -0.46 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1iaa h MET 107 Cb 1.33 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1iaa h MET 107 CO 0.43 0.18 0.00 -0.40 1.06 0.00 0.00 176.91 178.17 1iaa n ASP 108 N -4.49 3.22 0.23 1.22 5.75 -1.26 -4.56 116.55 116.66 1iaa n ASP 108 Ca -0.00 -2.34 0.07 0.00 -0.01 0.00 0.00 54.79 52.50 1iaa n ASP 108 Cb 0.09 -0.49 0.54 0.00 -1.03 0.00 0.00 41.12 40.23 1iaa n ASP 108 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1iaa h ARG 109 N 2.38 0.00 0.00 0.11 -0.00 -1.69 -0.35 114.38 114.83 1iaa h ARG 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1iaa h ARG 109 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.04 1iaa h ARG 109 CO 0.18 0.19 0.00 -0.25 -0.00 0.00 0.00 179.97 180.09 1iaa n ASP 110 N -4.14 0.56 0.28 0.08 8.00 -1.26 -0.63 116.55 119.43 1iaa n ASP 110 Ca -0.02 0.62 0.16 0.00 0.71 0.00 0.00 54.79 56.25 1iaa n ASP 110 Cb 0.26 -0.74 0.75 0.00 -0.02 0.00 0.00 41.12 41.37 1iaa n ASP 110 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1iaa h ASN 111 N 0.00 0.00 0.00 -2.24 4.21 -1.41 -3.37 115.58 112.77 1iaa h ASN 111 Ca 0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 1iaa h ASN 111 Cb 0.41 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.60 1iaa h ASN 111 CO 0.00 0.07 -1.11 -1.22 -1.29 0.00 0.00 177.43 173.89 1iaa n TYR 112 N -3.30 0.00 -4.19 1.19 4.01 0.19 -4.91 117.16 110.16 1iaa n TYR 112 Ca -0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1iaa n TYR 112 Cb 0.27 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.12 1iaa n TYR 112 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1iaa s VAL 113 N -2.04 0.87 -0.11 -0.72 -7.23 -0.04 -0.68 120.40 110.46 1iaa s VAL 113 Ca -0.01 -1.85 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 1iaa s VAL 113 Cb 0.01 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 1iaa s VAL 113 CO 0.06 -0.73 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.17 1iaa s THR 114 N -3.12 3.77 -0.33 5.32 2.01 0.28 -4.34 115.64 119.23 1iaa s THR 114 Ca 0.10 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.52 1iaa s THR 114 Cb 0.02 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 1iaa s THR 114 CO -0.02 0.55 0.36 -0.63 -0.69 0.00 0.00 174.62 174.19 1iaa s ILE 115 N -0.22 5.17 -1.18 1.82 -1.09 -1.26 -1.29 121.20 123.14 1iaa s ILE 115 Ca 0.03 0.14 -0.20 0.00 -2.23 0.00 0.00 60.65 58.39 1iaa s ILE 115 Cb -0.13 -3.80 0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1iaa s ILE 115 CO 0.03 -0.05 1.64 0.20 -1.23 0.00 0.00 174.94 175.53 1iaa s ASN 116 N 1.72 6.61 0.56 3.58 0.01 0.20 -4.84 114.94 122.78 1iaa s ASN 116 Ca 0.12 -2.01 0.24 0.00 -0.71 0.00 0.00 52.86 50.51 1iaa s ASN 116 Cb -0.16 -2.58 1.60 0.00 0.41 0.00 0.00 41.25 40.52 1iaa s ASN 116 CO 0.11 -1.40 2.21 1.88 -1.51 0.00 0.00 177.10 178.39 1iaa h TYR 117 N 8.56 0.00 0.00 2.20 0.05 -1.94 -0.13 116.97 125.71 1iaa h TYR 117 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.12 1iaa h TYR 117 Cb 0.93 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1iaa h TYR 117 CO 1.36 0.00 0.00 -0.56 -1.05 0.00 0.00 178.16 177.91 1iaa h GLN 118 N 0.00 0.00 -0.02 4.88 -0.00 -1.97 -1.83 115.11 116.17 1iaa h GLN 118 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1iaa h GLN 118 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 1iaa h GLN 118 CO -0.00 0.00 -0.31 0.09 -0.00 0.00 0.00 178.83 178.61 1iaa n ASN 119 N -2.81 2.34 -4.75 0.06 3.02 -0.06 -4.93 115.26 108.13 1iaa n ASN 119 Ca 0.01 -1.67 -0.39 0.00 -0.03 0.00 0.00 54.58 52.49 1iaa n ASN 119 Cb 0.25 0.30 -0.05 0.00 -0.61 0.00 0.00 39.78 39.67 1iaa n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1iaa s VAL 120 N -2.31 4.95 -0.10 2.41 1.01 -0.69 -0.93 120.40 124.73 1iaa s VAL 120 Ca 0.22 1.31 -0.37 0.00 0.00 0.00 0.00 61.98 63.14 1iaa s VAL 120 Cb 0.19 -3.97 -0.15 0.00 0.00 0.00 0.00 36.38 32.45 1iaa s VAL 120 CO 0.48 0.36 1.66 -0.67 0.00 0.00 0.00 175.10 176.93 1iaa n ASP 121 N 3.07 2.53 0.32 3.32 -0.08 -0.13 -4.75 116.55 120.83 1iaa n ASP 121 Ca -0.05 1.06 0.20 0.00 -1.51 0.00 0.00 54.79 54.49 1iaa n ASP 121 Cb 0.51 -1.23 1.12 0.00 2.34 0.00 0.00 41.12 43.85 1iaa n ASP 121 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1iaa h PRO 122 N 6.90 0.00 -0.02 -0.67 0.11 -1.93 -0.51 132.00 135.89 1iaa h PRO 122 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1iaa h PRO 122 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1iaa h PRO 122 CO 0.91 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.57 1iaa n SER 123 N -3.36 0.85 -0.14 -2.05 3.41 -1.26 -4.19 113.62 106.89 1iaa n SER 123 Ca -0.03 -1.33 0.01 0.00 -0.26 0.00 0.00 58.87 57.26 1iaa n SER 123 Cb 0.07 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.03 1iaa n SER 123 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1iaa n MET 124 N -0.32 0.58 0.09 4.33 2.81 -0.21 -4.84 117.12 119.57 1iaa n MET 124 Ca 0.20 -0.96 0.05 0.00 -1.81 0.00 0.00 57.70 55.18 1iaa n MET 124 Cb 0.24 -0.66 0.48 0.00 -0.71 0.00 0.00 33.22 32.57 1iaa n MET 124 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1iaa h THR 125 N 3.32 1.09 0.00 2.03 1.35 -1.71 -1.98 112.91 117.02 1iaa h THR 125 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1iaa h THR 125 Cb 1.03 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1iaa h THR 125 CO 0.00 0.09 0.00 -1.20 -0.25 0.00 0.00 175.52 174.16 1iaa n SER 126 N -4.46 0.35 0.33 5.36 7.64 -1.26 -1.49 113.62 120.08 1iaa n SER 126 Ca 0.01 0.59 0.21 0.00 1.01 0.00 0.00 58.87 60.69 1iaa n SER 126 Cb 0.10 -0.66 1.15 0.00 -1.01 0.00 0.00 64.21 63.79 1iaa n SER 126 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1iaa h ASN 127 N 0.00 0.00 -0.59 6.43 2.35 -1.74 -1.16 115.58 120.87 1iaa h ASN 127 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1iaa h ASN 127 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1iaa h ASN 127 CO 0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 1iaa n PHE 128 N -3.01 1.04 -2.00 1.19 3.72 -0.56 -4.98 117.46 112.87 1iaa n PHE 128 Ca -0.03 -0.56 -0.42 0.00 -0.05 0.00 0.00 57.45 56.39 1iaa n PHE 128 Cb 0.10 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 1iaa n PHE 128 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1iaa s ASP 129 N -1.03 6.64 0.20 4.37 1.01 -0.44 -4.91 116.67 122.51 1iaa s ASP 129 Ca 0.44 2.63 -0.31 0.00 0.71 0.00 0.00 52.55 56.02 1iaa s ASP 129 Cb 0.26 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.48 1iaa s ASP 129 CO 0.25 -0.74 1.47 -0.63 0.21 0.00 0.00 175.17 175.73 1iaa s ILE 130 N 0.46 2.76 -1.11 0.77 1.01 -1.26 -4.82 121.20 119.00 1iaa s ILE 130 Ca 0.63 0.59 -0.22 0.00 0.00 0.00 0.00 60.65 61.65 1iaa s ILE 130 Cb -0.42 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 38.68 1iaa s ILE 130 CO 0.38 0.07 1.73 -1.81 0.00 0.00 0.00 174.94 175.31 1iaa s ASP 131 N 0.73 6.05 0.36 3.58 1.01 0.10 -4.77 116.67 123.73 1iaa s ASP 131 Ca 0.64 -1.65 0.04 0.00 0.71 0.00 0.00 52.55 52.29 1iaa s ASP 131 Cb -0.42 -2.57 0.68 0.00 1.01 0.00 0.00 42.92 41.62 1iaa s ASP 131 CO 0.37 -1.95 1.98 0.74 0.21 0.00 0.00 175.17 176.52 1iaa h THR 132 N 6.39 1.16 -3.13 -1.27 2.02 -1.91 -3.30 112.91 112.87 1iaa h THR 132 Ca 0.26 -0.41 -0.79 0.00 0.77 0.00 0.00 66.41 66.24 1iaa h THR 132 Cb 0.95 0.51 -0.26 0.00 -1.74 0.00 0.00 68.15 67.62 1iaa h THR 132 CO 1.36 0.18 0.73 -1.22 0.37 0.00 0.00 175.52 176.93 1iaa n TYR 133 N -4.40 4.73 -3.89 3.16 4.01 -1.26 -4.93 117.16 114.57 1iaa n TYR 133 Ca 0.04 -3.59 -0.09 0.00 -0.16 0.00 0.00 57.90 54.10 1iaa n TYR 133 Cb 0.11 -1.75 -0.04 0.00 -0.31 0.00 0.00 39.34 37.35 1iaa n TYR 133 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1iaa s SER 134 N 1.14 -0.17 -0.02 7.72 1.04 -1.24 -4.22 113.70 117.95 1iaa s SER 134 Ca 0.34 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 56.06 1iaa s SER 134 Cb -0.06 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1iaa s SER 134 CO -0.04 -1.15 -0.08 0.00 0.98 0.00 0.00 173.24 172.96 1iaa s ARG 135 N -3.95 0.74 0.54 4.02 1.70 -0.34 -4.84 118.95 116.82 1iaa s ARG 135 Ca 0.16 -0.26 -0.20 0.00 -0.47 0.00 0.00 55.73 54.96 1iaa s ARG 135 Cb -0.02 -0.71 -0.06 0.00 -0.57 0.00 0.00 34.95 33.59 1iaa s ARG 135 CO 0.05 0.12 1.12 0.71 -1.08 0.00 0.00 175.30 176.21 1iaa s TYR 136 N 0.07 2.71 -0.37 5.89 2.02 -1.26 -0.87 117.35 125.55 1iaa s TYR 136 Ca -0.01 1.55 0.14 0.00 -0.37 0.00 0.00 57.07 58.38 1iaa s TYR 136 Cb -0.06 -3.26 0.42 0.00 -0.40 0.00 0.00 41.96 38.66 1iaa s TYR 136 CO -0.00 -1.48 0.93 1.33 -1.57 0.00 0.00 175.55 174.76 1iaa n VAL 137 N -1.25 1.08 0.00 0.71 0.24 -1.26 -4.93 118.33 112.91 1iaa n VAL 137 Ca 0.11 -3.85 0.00 0.00 -2.04 0.00 0.00 64.34 58.56 1iaa n VAL 137 Cb 0.51 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1iaa n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iaa n GLY 138 N -0.06 0.04 3.21 7.63 0.00 -1.26 -4.45 105.19 110.29 1iaa n GLY 138 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1iaa n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iaa s GLU 139 N -0.98 1.21 0.79 1.61 0.41 -1.26 -5.04 118.70 115.44 1iaa s GLU 139 Ca 0.00 -0.87 -0.10 0.00 -0.41 0.00 0.00 54.97 53.59 1iaa s GLU 139 Cb 0.00 -1.29 0.10 0.00 -1.78 0.00 0.00 34.13 31.16 1iaa s GLU 139 CO 0.00 0.32 1.12 -0.51 -0.49 0.00 0.00 175.26 175.71 1iaa s ASP 140 N -1.17 4.34 0.29 -0.19 1.01 -1.26 -5.00 116.67 114.69 1iaa s ASP 140 Ca 0.05 0.44 -0.30 0.00 0.71 0.00 0.00 52.55 53.46 1iaa s ASP 140 Cb -0.08 -0.90 -0.12 0.00 1.01 0.00 0.00 42.92 42.82 1iaa s ASP 140 CO 0.02 -1.94 1.44 0.00 0.21 0.00 0.00 175.17 174.89 1iaa n TYR 141 N -3.20 2.43 -3.83 4.23 4.19 -1.26 -5.01 117.16 114.71 1iaa n TYR 141 Ca 0.10 0.41 -0.27 0.00 3.31 0.00 0.00 57.90 61.45 1iaa n TYR 141 Cb 0.60 -2.49 -0.17 0.00 0.49 0.00 0.00 39.34 37.78 1iaa n TYR 141 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 1iaa s GLN 142 N -0.88 1.12 0.36 2.98 -1.52 -1.26 -5.02 119.66 115.43 1iaa s GLN 142 Ca 0.63 -0.41 0.09 0.00 -1.95 0.00 0.00 55.36 53.72 1iaa s GLN 142 Cb -0.58 -1.89 0.83 0.00 -0.22 0.00 0.00 33.01 31.15 1iaa s GLN 142 CO 0.53 -0.47 1.86 1.88 -0.25 0.00 0.00 175.29 178.85 1iaa h TYR 143 N 8.18 0.81 -0.51 0.91 0.05 -2.00 -2.60 116.97 121.82 1iaa h TYR 143 Ca -0.21 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.57 1iaa h TYR 143 Cb 1.11 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 1iaa h TYR 143 CO 0.41 0.29 0.03 0.66 -1.05 0.00 0.00 178.16 178.50 1iaa n TYR 144 N -4.57 1.81 -1.62 4.88 4.01 -1.26 -4.80 117.16 115.62 1iaa n TYR 144 Ca 0.18 -0.83 -0.40 0.00 -0.16 0.00 0.00 57.90 56.69 1iaa n TYR 144 Cb 0.48 -0.48 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1iaa n TYR 144 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1iaa n SER 145 N 0.22 1.19 0.24 7.72 2.88 -0.98 -4.75 113.62 120.13 1iaa n SER 145 Ca 0.28 0.96 0.16 0.00 -1.33 0.00 0.00 58.87 58.94 1iaa n SER 145 Cb 1.14 -1.38 0.83 0.00 -0.75 0.00 0.00 64.21 64.06 1iaa n SER 145 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1iaa h ILE 146 N 1.23 0.00 -0.14 2.46 6.09 -1.92 -1.80 117.51 123.43 1iaa h ILE 146 Ca -0.46 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 62.98 1iaa h ILE 146 Cb 1.34 0.78 0.00 0.00 0.47 0.00 0.00 36.82 39.41 1iaa h ILE 146 CO 0.55 0.00 0.00 0.23 -3.07 0.00 0.00 178.15 175.86 1iaa n MET 147 N -2.62 1.82 -3.72 2.19 2.81 -1.26 -4.65 117.12 111.69 1iaa n MET 147 Ca -0.02 -1.22 -0.35 0.00 -1.81 0.00 0.00 57.70 54.30 1iaa n MET 147 Cb 0.08 -1.43 -0.05 0.00 -0.71 0.00 0.00 33.22 31.10 1iaa n MET 147 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1iaa s HIS 148 N -1.83 3.59 0.45 2.03 5.65 -0.68 -1.33 115.29 123.18 1iaa s HIS 148 Ca 0.34 0.64 0.06 0.00 0.25 0.00 0.00 55.06 56.36 1iaa s HIS 148 Cb 0.19 -2.04 0.01 0.00 -1.18 0.00 0.00 32.58 29.56 1iaa s HIS 148 CO 0.29 0.61 0.62 0.71 -0.65 0.00 0.00 174.74 176.32 1iaa s TYR 149 N -1.27 2.84 0.83 3.88 2.02 -1.26 -4.17 117.35 120.23 1iaa s TYR 149 Ca 0.27 -0.28 -0.07 0.00 -0.37 0.00 0.00 57.07 56.62 1iaa s TYR 149 Cb -0.14 -2.45 0.17 0.00 -0.40 0.00 0.00 41.96 39.14 1iaa s TYR 149 CO 0.15 -0.51 1.14 0.20 -1.57 0.00 0.00 175.55 174.96 1iaa s GLY 150 N -4.36 1.77 0.55 0.71 0.00 -1.17 -4.50 107.32 100.33 1iaa s GLY 150 Ca 0.55 -1.63 0.34 0.00 0.00 0.00 0.00 44.72 43.98 1iaa s GLY 150 CO 0.34 -0.94 2.02 0.07 0.00 0.00 0.00 173.10 174.59 1iaa h LYS 151 N -1.02 0.00 -0.24 2.90 2.10 -1.75 -2.63 116.57 115.93 1iaa h LYS 151 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1iaa h LYS 151 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1iaa h LYS 151 CO 0.36 0.02 0.00 0.66 -2.00 0.00 0.00 179.45 178.50 1iaa n TYR 152 N -3.13 0.31 -1.65 0.07 4.01 -1.26 0.18 117.16 115.68 1iaa n TYR 152 Ca 0.00 -0.23 -0.57 0.00 -0.16 0.00 0.00 57.90 56.94 1iaa n TYR 152 Cb 0.29 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.24 1iaa n TYR 152 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1iaa n SER 153 N 0.93 1.70 -1.62 7.72 7.64 -0.99 -0.94 113.62 128.05 1iaa n SER 153 Ca 0.13 1.11 -0.20 0.00 1.01 0.00 0.00 58.87 60.93 1iaa n SER 153 Cb 0.45 -1.10 -0.07 0.00 -1.01 0.00 0.00 64.21 62.48 1iaa n SER 153 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1iaa n PHE 154 N 3.77 -0.15 -2.00 1.43 3.72 -1.26 -4.72 117.46 118.25 1iaa n PHE 154 Ca 0.24 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.27 1iaa n PHE 154 Cb 0.12 -3.38 0.03 0.00 -0.94 0.00 0.00 39.48 35.32 1iaa n PHE 154 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1iaa s SER 155 N -2.68 5.19 0.42 4.37 0.15 -0.12 -0.96 113.70 120.08 1iaa s SER 155 Ca 0.00 2.42 0.27 0.00 0.70 0.00 0.00 55.95 59.34 1iaa s SER 155 Cb 0.00 -2.60 0.84 0.00 -1.71 0.00 0.00 66.02 62.54 1iaa s SER 155 CO 0.00 -1.60 1.77 0.16 1.20 0.00 0.00 173.24 174.78 1iaa h ILE 156 N 0.92 0.00 -2.32 6.45 3.07 -1.33 -3.38 117.51 120.92 1iaa h ILE 156 Ca -0.50 -0.67 -0.59 0.00 1.55 0.00 0.00 64.86 64.65 1iaa h ILE 156 Cb 1.30 1.64 -0.38 0.00 -0.27 0.00 0.00 36.82 39.10 1iaa h ILE 156 CO 0.55 0.00 -0.99 1.67 -1.05 0.00 0.00 178.15 178.33 1iaa n GLN 157 N -2.88 0.30 -1.69 0.16 7.27 -1.26 -5.04 117.38 114.24 1iaa n GLN 157 Ca 0.03 -3.21 -0.44 0.00 0.07 0.00 0.00 57.00 53.45 1iaa n GLN 157 Cb 0.40 -1.61 -0.04 0.00 2.41 0.00 0.00 30.24 31.40 1iaa n GLN 157 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 1iaa n TRP 158 N 2.60 2.45 0.00 3.69 -0.00 -1.26 -1.47 117.44 123.45 1iaa n TRP 158 Ca 0.28 0.20 0.00 0.00 -0.00 0.00 0.00 57.50 57.99 1iaa n TRP 158 Cb 0.48 -2.58 0.00 0.00 -0.00 0.00 0.00 31.31 29.21 1iaa n TRP 158 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1iaa n GLY 159 N 3.49 1.05 1.22 5.87 0.00 -1.26 -4.82 105.19 110.74 1iaa n GLY 159 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1iaa n GLY 159 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1iaa n VAL 160 N -2.00 0.46 -3.55 1.61 0.31 -0.56 -5.02 118.33 109.58 1iaa n VAL 160 Ca 0.00 0.15 -0.41 0.00 -0.01 0.00 0.00 64.34 64.07 1iaa n VAL 160 Cb 0.00 -1.33 -0.11 0.00 -0.91 0.00 0.00 33.84 31.50 1iaa n VAL 160 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1iaa s LEU 161 N -6.36 4.73 0.38 7.52 1.43 -0.54 -5.07 118.68 120.78 1iaa s LEU 161 Ca 0.00 -0.81 -0.23 0.00 -1.03 0.00 0.00 54.13 52.06 1iaa s LEU 161 Cb 0.00 -2.08 -0.10 0.00 0.03 0.00 0.00 46.19 44.03 1iaa s LEU 161 CO 0.00 -0.36 0.95 -1.61 0.23 0.00 0.00 176.35 175.56 1iaa s GLU 162 N 1.63 4.38 -0.09 1.70 2.02 -1.26 -4.68 118.70 122.39 1iaa s GLU 162 Ca 0.04 1.22 0.08 0.00 0.02 0.00 0.00 54.97 56.32 1iaa s GLU 162 Cb -0.19 -2.45 -0.11 0.00 0.10 0.00 0.00 34.13 31.48 1iaa s GLU 162 CO 0.08 0.10 0.02 0.25 0.02 0.00 0.00 175.26 175.73 1iaa n THR 163 N -0.12 0.63 -4.03 3.63 -2.24 0.13 -4.67 114.28 107.61 1iaa n THR 163 Ca 0.05 -0.38 -0.34 0.00 -2.27 0.00 0.00 64.05 61.11 1iaa n THR 163 Cb 0.52 -0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 67.83 1iaa n THR 163 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1iaa s ILE 164 N -2.22 2.60 -0.20 2.28 1.01 -0.98 -0.63 121.20 123.05 1iaa s ILE 164 Ca -0.05 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1iaa s ILE 164 Cb 0.03 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.34 1iaa s ILE 164 CO 0.37 0.42 -0.16 -0.69 0.00 0.00 0.00 174.94 174.87 1iaa s VAL 165 N 1.34 2.02 0.42 2.92 1.01 -0.41 -4.54 120.40 123.17 1iaa s VAL 165 Ca 0.04 -1.14 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 1iaa s VAL 165 Cb -0.14 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.21 1iaa s VAL 165 CO -0.08 0.33 1.25 -2.16 0.00 0.00 0.00 175.10 174.43 1iaa s PRO 166 N 1.25 3.89 0.19 2.72 0.04 -1.26 -0.55 135.00 141.28 1iaa s PRO 166 Ca 0.00 2.01 0.23 0.00 0.04 0.00 0.00 61.00 63.28 1iaa s PRO 166 Cb -0.15 -2.64 0.07 0.00 0.04 0.00 0.00 34.50 31.82 1iaa s PRO 166 CO -0.10 -0.52 1.11 -0.07 0.04 0.00 0.00 177.00 177.46 1iaa h LEU 167 N 2.46 0.00-10.11 -3.56 3.38 -1.25 -3.47 115.31 102.77 1iaa h LEU 167 Ca -0.49 -0.05 -0.51 0.00 0.09 0.00 0.00 57.88 56.92 1iaa h LEU 167 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1iaa h LEU 167 CO 0.62 0.02 -0.10 -1.10 0.09 0.00 0.00 178.44 177.97 1iaa s GLN 168 N -3.32 3.65 0.38 1.13 -0.21 -1.26 -5.05 119.66 114.98 1iaa s GLN 168 Ca 0.01 0.07 -0.26 0.00 0.02 0.00 0.00 55.36 55.20 1iaa s GLN 168 Cb 0.10 -2.61 -0.09 0.00 1.00 0.00 0.00 33.01 31.41 1iaa s GLN 168 CO 0.78 0.18 1.20 1.21 -2.12 0.00 0.00 175.29 176.53 1iaa s ASN 169 N -3.17 6.62 0.00 5.90 2.47 -1.26 -4.01 114.94 121.49 1iaa s ASN 169 Ca 0.45 2.43 0.00 0.00 0.42 0.00 0.00 52.86 56.16 1iaa s ASN 169 Cb -0.11 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1iaa s ASN 169 CO 0.30 -0.61 0.00 0.61 -3.72 0.00 0.00 177.10 173.68 1iaa n GLY 170 N 0.73 0.55 3.79 1.21 0.00 -1.26 -5.01 105.19 105.20 1iaa n GLY 170 Ca 0.03 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1iaa n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iaa s ILE 171 N -2.00 5.29 -0.32 -0.61 -1.09 -1.26 -5.05 121.20 116.16 1iaa s ILE 171 Ca 0.00 0.52 0.03 0.00 -2.23 0.00 0.00 60.65 58.97 1iaa s ILE 171 Cb 0.00 -3.59 0.09 0.00 -1.58 0.00 0.00 42.46 37.39 1iaa s ILE 171 CO 0.00 0.50 0.03 -0.62 -1.23 0.00 0.00 174.94 173.62 1iaa s ASP 172 N -0.32 4.52 -0.03 3.58 2.15 -1.26 -4.92 116.67 120.40 1iaa s ASP 172 Ca 0.18 -1.90 -0.30 0.00 0.43 0.00 0.00 52.55 50.95 1iaa s ASP 172 Cb -0.14 -1.44 -0.05 0.00 -0.30 0.00 0.00 42.92 41.00 1iaa s ASP 172 CO 0.06 -0.36 1.35 -0.76 -0.17 0.00 0.00 175.17 175.29 1iaa s LEU 173 N 1.10 4.30 0.22 -1.34 1.43 -1.26 -5.02 118.68 118.11 1iaa s LEU 173 Ca 0.07 2.01 0.07 0.00 -1.03 0.00 0.00 54.13 55.26 1iaa s LEU 173 Cb -0.19 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 1iaa s LEU 173 CO -0.11 -0.69 -0.10 0.42 0.23 0.00 0.00 176.35 176.09 1iaa s THR 174 N 2.48 1.61 0.70 5.49 -4.23 -1.26 -2.67 115.64 117.75 1iaa s THR 174 Ca 0.62 -2.16 -0.11 0.00 -1.18 0.00 0.00 61.69 58.86 1iaa s THR 174 Cb -0.29 -2.17 0.02 0.00 1.34 0.00 0.00 72.50 71.39 1iaa s THR 174 CO 0.25 -0.50 1.08 -1.81 -0.54 0.00 0.00 174.62 173.10 1iaa s ASP 175 N -3.34 5.38 0.50 3.99 1.01 -1.26 -3.05 116.67 119.91 1iaa s ASP 175 Ca 0.25 1.04 0.16 0.00 0.71 0.00 0.00 52.55 54.70 1iaa s ASP 175 Cb 0.01 -1.83 1.22 0.00 1.01 0.00 0.00 42.92 43.33 1iaa s ASP 175 CO 0.08 -1.35 2.12 -0.65 0.21 0.00 0.00 175.17 175.58 1iaa h PRO 176 N -0.62 0.08 0.00 8.23 0.11 -1.84 -1.11 132.00 136.85 1iaa h PRO 176 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1iaa h PRO 176 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1iaa h PRO 176 CO 0.63 0.05 0.00 0.10 -0.21 0.00 0.00 178.00 178.58 1iaa h TYR 177 N 0.08 0.00 -0.00 0.65 -0.00 -1.92 -0.71 116.97 115.07 1iaa h TYR 177 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.78 1iaa h TYR 177 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.84 1iaa h TYR 177 CO -0.00 0.00 -0.26 -0.25 -0.00 0.00 0.00 178.16 177.65 1iaa n ASP 178 N -2.96 0.63 -4.78 0.10 8.00 -0.42 -4.71 116.55 112.41 1iaa n ASP 178 Ca -0.01 -0.50 -0.39 0.00 0.71 0.00 0.00 54.79 54.60 1iaa n ASP 178 Cb 0.16 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 1iaa n ASP 178 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1iaa s LYS 179 N -2.67 4.26 0.12 -1.24 -0.14 -0.27 -4.98 119.74 114.81 1iaa s LYS 179 Ca 0.21 0.71 -0.09 0.00 -1.36 0.00 0.00 55.97 55.45 1iaa s LYS 179 Cb 0.19 -3.31 -0.11 0.00 -1.68 0.00 0.00 37.83 32.93 1iaa s LYS 179 CO 0.56 0.47 1.31 0.00 -0.76 0.00 0.00 175.35 176.93 1iaa h ALA 180 N 5.26 0.35 -2.72 5.17 0.00 -1.90 -3.34 119.26 122.09 1iaa h ALA 180 Ca -0.47 -0.65 -0.10 0.00 0.00 0.00 0.00 54.91 53.70 1iaa h ALA 180 Cb 1.21 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 1iaa h ALA 180 CO 0.67 0.73 -0.26 -1.01 0.00 0.00 0.00 179.25 179.38 1iaa s HIS 181 N -3.53 0.45 0.55 0.00 3.76 -1.26 -4.74 115.29 110.51 1iaa s HIS 181 Ca -0.08 -0.79 -0.16 0.00 -0.15 0.00 0.00 55.06 53.88 1iaa s HIS 181 Cb 0.09 0.00 -0.06 0.00 1.11 0.00 0.00 32.58 33.72 1iaa s HIS 181 CO 0.89 -0.83 1.01 0.00 -0.85 0.00 0.00 174.74 174.96 1iaa s MET 182 N -4.00 3.71 0.57 1.40 0.23 -1.26 -4.81 119.30 115.13 1iaa s MET 182 Ca 0.21 1.04 -0.17 0.00 -1.03 0.00 0.00 55.69 55.75 1iaa s MET 182 Cb 0.02 -2.10 -0.05 0.00 -1.53 0.00 0.00 34.83 31.17 1iaa s MET 182 CO 0.05 -0.48 1.05 -0.51 -2.03 0.00 0.00 175.02 173.11 1iaa s LEU 183 N -4.25 3.59 0.36 0.18 1.43 -1.26 -4.93 118.68 113.79 1iaa s LEU 183 Ca 0.61 1.85 0.09 0.00 -1.03 0.00 0.00 54.13 55.65 1iaa s LEU 183 Cb -0.12 -4.54 0.84 0.00 0.03 0.00 0.00 46.19 42.39 1iaa s LEU 183 CO 0.34 -1.07 1.86 -0.61 0.23 0.00 0.00 176.35 177.09 1iaa h GLN 184 N 0.73 0.65 0.00 1.70 5.75 -2.00 0.13 115.11 122.08 1iaa h GLN 184 Ca -0.48 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 57.92 1iaa h GLN 184 Cb 1.22 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1iaa h GLN 184 CO 0.58 0.43 -0.30 1.79 -2.65 0.00 0.00 178.83 178.68 1iaa h THR 185 N 0.67 0.84 -0.18 2.39 1.35 -1.99 0.15 112.91 116.15 1iaa h THR 185 Ca 0.47 -1.22 -0.04 0.00 -0.55 0.00 0.00 66.41 65.07 1iaa h THR 185 Cb 0.79 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 1iaa h THR 185 CO -0.22 0.30 -0.05 0.44 -0.25 0.00 0.00 175.52 175.73 1iaa h ASP 186 N 0.00 0.36 -0.53 5.36 3.32 -1.35 -2.45 116.42 121.13 1iaa h ASP 186 Ca -0.00 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.68 1iaa h ASP 186 Cb 0.71 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 1iaa h ASP 186 CO 0.04 0.65 0.35 0.00 -1.72 0.00 0.00 179.24 178.56 1iaa h ALA 187 N 0.72 0.67 -0.97 3.45 0.00 -0.83 -2.72 119.26 119.58 1iaa h ALA 187 Ca 0.05 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1iaa h ALA 187 Cb 0.50 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1iaa h ALA 187 CO 0.02 0.11 0.63 -0.91 0.00 0.00 0.00 179.25 179.09 1iaa h ASN 188 N 0.71 0.97 -0.42 0.00 2.35 -0.95 -0.92 115.58 117.32 1iaa h ASN 188 Ca 0.19 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1iaa h ASN 188 Cb -0.08 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1iaa h ASN 188 CO -0.04 0.61 -0.02 1.56 -1.65 0.00 0.00 177.43 177.88 1iaa h GLN 189 N 1.09 0.76 0.13 0.81 4.20 -1.14 0.33 115.11 121.30 1iaa h GLN 189 Ca 0.43 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1iaa h GLN 189 Cb 0.23 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1iaa h GLN 189 CO -0.18 0.85 -0.06 0.82 -0.67 0.00 0.00 178.83 179.59 1iaa h ILE 190 N 0.59 0.95 -0.99 2.54 2.04 -1.11 0.83 117.51 122.36 1iaa h ILE 190 Ca 0.12 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1iaa h ILE 190 Cb 0.52 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 1iaa h ILE 190 CO 0.03 0.09 0.65 0.78 0.00 0.00 0.00 178.15 179.69 1iaa h ASN 191 N -0.35 1.09 -0.49 1.72 2.35 -1.08 0.44 115.58 119.26 1iaa h ASN 191 Ca -0.02 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1iaa h ASN 191 Cb 0.28 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1iaa h ASN 191 CO 0.03 0.75 0.17 0.78 -1.65 0.00 0.00 177.43 177.51 1iaa h ASN 192 N 1.27 0.71 -0.11 5.81 2.35 -0.65 -2.01 115.58 122.94 1iaa h ASN 192 Ca 0.39 -0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1iaa h ASN 192 Cb -0.02 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1iaa h ASN 192 CO -0.12 0.71 -0.12 0.25 -1.65 0.00 0.00 177.43 176.50 1iaa h LEU 193 N 0.66 0.44 -3.51 1.61 5.85 0.20 -3.16 115.31 117.40 1iaa h LEU 193 Ca 0.16 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1iaa h LEU 193 Cb 0.25 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1iaa h LEU 193 CO -0.01 0.60 0.01 -1.22 -0.34 0.00 0.00 178.44 177.48 1iaa n TYR 194 N -4.21 1.83 -0.28 1.25 4.02 0.05 -4.62 117.16 115.20 1iaa n TYR 194 Ca 0.00 -0.78 0.01 0.00 -0.01 0.00 0.00 57.90 57.13 1iaa n TYR 194 Cb 0.31 -0.47 0.14 0.00 -0.02 0.00 0.00 39.34 39.30 1iaa n TYR 194 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1iaa h THR 195 N 3.45 0.94 -0.06 -0.72 2.02 -1.34 0.33 112.91 117.53 1iaa h THR 195 Ca 0.01 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 1iaa h THR 195 Cb 1.87 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1iaa h THR 195 CO 0.44 0.14 -0.54 0.78 0.37 0.00 0.00 175.52 176.71 1iaa h ASN 196 N 0.78 0.18 0.02 4.18 -0.26 -1.82 -3.30 115.58 115.36 1iaa h ASN 196 Ca 0.36 -0.09 -0.06 0.00 -0.56 0.00 0.00 56.30 55.95 1iaa h ASN 196 Cb 0.28 -0.05 0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1iaa h ASN 196 CO -0.22 0.69 -0.26 -0.33 -1.06 0.00 0.00 177.43 176.25 1iaa h GLU 197 N 0.12 0.14 -4.21 0.81 4.39 -1.35 -3.46 114.58 111.03 1iaa h GLU 197 Ca -0.00 -0.18 -0.24 0.00 0.34 0.00 0.00 59.36 59.28 1iaa h GLU 197 Cb 1.00 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 29.60 1iaa h GLU 197 CO 0.08 0.98 -0.31 0.00 -1.16 0.00 0.00 179.01 178.60 1iaa n SER 199 N -0.93 -4.88 0.00 0.00 7.64 -1.26 -3.80 113.62 110.39 1iaa n SER 199 Ca 0.01 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1iaa n SER 199 Cb 0.63 -4.09 0.00 0.00 -1.01 0.00 0.00 64.21 59.74 1iaa n SER 199 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21