#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ii3 n LEU 7 N 0.00 2.61 -3.85 -0.35 4.77 -1.26 -5.02 117.00 113.90 1ii3 n LEU 7 Ca 0.00 0.65 -0.12 0.00 -0.03 0.00 0.00 56.01 56.52 1ii3 n LEU 7 Cb 0.00 -1.34 -0.11 0.00 -2.33 0.00 0.00 43.42 39.64 1ii3 n LEU 7 CO 0.00 -2.39 -0.18 -1.38 -1.33 0.00 0.00 177.39 172.11 1ii3 s HIS 8 N -1.83 -0.06 0.13 -1.77 -3.43 -1.26 -5.11 115.29 101.96 1ii3 s HIS 8 Ca 0.71 0.14 -0.24 0.00 -0.80 0.00 0.00 55.06 54.86 1ii3 s HIS 8 Cb -0.35 0.00 -0.07 0.00 -1.43 0.00 0.00 32.58 30.73 1ii3 s HIS 8 CO 0.53 -0.19 0.75 0.15 -2.00 0.00 0.00 174.74 173.97 1ii3 s LYS 9 N -0.70 4.51 0.14 -0.38 1.02 -1.26 -4.26 119.74 118.80 1ii3 s LYS 9 Ca -0.08 1.08 0.07 0.00 0.02 0.00 0.00 55.97 57.06 1ii3 s LYS 9 Cb -0.05 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 1ii3 s LYS 9 CO 0.01 0.53 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.60 1ii3 s GLU 10 N -0.94 1.12 0.54 1.68 2.02 0.07 -4.92 118.70 118.27 1ii3 s GLU 10 Ca 0.35 -1.29 -0.18 0.00 0.02 0.00 0.00 54.97 53.87 1ii3 s GLU 10 Cb -0.22 -1.09 -0.06 0.00 0.10 0.00 0.00 34.13 32.85 1ii3 s GLU 10 CO 0.25 0.22 1.05 -1.25 0.02 0.00 0.00 175.26 175.55 1ii3 s PRO 11 N -2.66 3.56 0.21 0.39 0.04 -1.26 0.98 135.00 136.25 1ii3 s PRO 11 Ca 0.11 1.29 -0.10 0.00 0.04 0.00 0.00 61.00 62.33 1ii3 s PRO 11 Cb -0.06 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1ii3 s PRO 11 CO 0.04 -0.62 0.37 0.00 0.04 0.00 0.00 177.00 176.83 1ii3 s ALA 12 N -2.21 -0.05 -0.06 8.56 0.00 -0.80 -4.63 121.76 122.58 1ii3 s ALA 12 Ca 0.66 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.72 1ii3 s ALA 12 Cb -0.16 1.01 0.01 0.00 0.00 0.00 0.00 23.12 23.98 1ii3 s ALA 12 CO 0.29 -0.75 -0.12 0.99 0.00 0.00 0.00 175.76 176.17 1ii3 s THR 13 N -4.00 1.12 0.28 0.00 2.01 -0.57 -4.24 115.64 110.24 1ii3 s THR 13 Ca 0.21 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1ii3 s THR 13 Cb 0.02 -1.02 -0.10 0.00 0.01 0.00 0.00 72.50 71.41 1ii3 s THR 13 CO 0.05 0.35 1.43 -0.22 -0.69 0.00 0.00 174.62 175.54 1ii3 s LEU 14 N 0.52 4.38 -0.11 4.42 2.96 -1.26 -0.47 118.68 129.12 1ii3 s LEU 14 Ca -0.12 2.72 -0.13 0.00 -0.22 0.00 0.00 54.13 56.38 1ii3 s LEU 14 Cb -0.14 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 1ii3 s LEU 14 CO 0.03 -0.70 -0.26 -0.38 -1.32 0.00 0.00 176.35 173.72 1ii3 n ILE 15 N 1.92 1.42 -3.63 6.68 5.41 -0.30 -4.76 119.36 126.09 1ii3 n ILE 15 Ca 0.05 0.19 -0.13 0.00 1.00 0.00 0.00 62.75 63.86 1ii3 n ILE 15 Cb 0.40 -2.14 -0.07 0.00 -0.71 0.00 0.00 39.64 37.13 1ii3 n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1ii3 s LYS 16 N -2.66 0.77 -0.07 0.38 2.20 -0.90 -5.02 119.74 114.44 1ii3 s LYS 16 Ca -0.22 0.95 -0.29 0.00 -0.36 0.00 0.00 55.97 56.05 1ii3 s LYS 16 Cb 0.03 0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 1ii3 s LYS 16 CO 0.32 -0.10 0.98 0.00 -0.36 0.00 0.00 175.35 176.19 1ii3 s ALA 17 N 0.45 3.32 -0.14 3.13 0.00 -1.26 -0.23 121.76 127.03 1ii3 s ALA 17 Ca -0.00 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 1ii3 s ALA 17 Cb -0.05 -3.38 -0.24 0.00 0.00 0.00 0.00 23.12 19.45 1ii3 s ALA 17 CO -0.02 -0.46 0.44 0.82 0.00 0.00 0.00 175.76 176.54 1ii3 h ILE 18 N 4.99 0.99 -1.34 0.00 2.04 -1.25 -3.48 117.51 119.47 1ii3 h ILE 18 Ca -0.35 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.19 1ii3 h ILE 18 Cb 1.17 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1ii3 h ILE 18 CO 0.81 0.61 0.00 -0.90 0.00 0.00 0.00 178.15 178.67 1ii3 n ASP 19 N -4.07 0.00 -0.27 1.72 5.68 -0.88 -5.00 116.55 113.74 1ii3 n ASP 19 Ca -0.27 -0.34 0.11 0.00 -0.50 0.00 0.00 54.79 53.79 1ii3 n ASP 19 Cb 0.82 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 41.17 1ii3 n ASP 19 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ii3 h GLY 20 N 0.00 1.20 -0.10 6.12 0.00 -1.83 -3.20 103.07 105.25 1ii3 h GLY 20 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1ii3 h GLY 20 CO 0.00 0.11 -0.05 2.09 0.00 0.00 0.00 176.54 178.69 1ii3 n ASP 21 N -4.55 1.42 -3.88 0.19 5.68 -1.26 -4.81 116.55 109.34 1ii3 n ASP 21 Ca 0.17 -2.01 -0.26 0.00 -0.50 0.00 0.00 54.79 52.19 1ii3 n ASP 21 Cb 0.43 -0.11 -0.17 0.00 -1.14 0.00 0.00 41.12 40.13 1ii3 n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ii3 s THR 22 N -1.07 0.87 -0.04 2.12 2.01 -1.21 -0.72 115.64 117.60 1ii3 s THR 22 Ca 0.07 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1ii3 s THR 22 Cb 0.06 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.66 1ii3 s THR 22 CO 0.01 0.34 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.59 1ii3 s ILE 23 N 1.76 0.60 -0.13 1.82 1.09 0.25 -0.65 121.20 125.94 1ii3 s ILE 23 Ca 0.05 -0.18 -0.25 0.00 -1.10 0.00 0.00 60.65 59.16 1ii3 s ILE 23 Cb -0.12 -0.60 -0.02 0.00 -1.06 0.00 0.00 42.46 40.66 1ii3 s ILE 23 CO -0.07 0.23 0.82 -0.75 -0.10 0.00 0.00 174.94 175.07 1ii3 s LYS 24 N 0.75 4.36 0.12 2.79 2.47 0.68 -0.22 119.74 130.69 1ii3 s LYS 24 Ca -0.11 1.04 0.06 0.00 -1.56 0.00 0.00 55.97 55.40 1ii3 s LYS 24 Cb -0.13 -3.53 -0.04 0.00 -1.46 0.00 0.00 37.83 32.66 1ii3 s LYS 24 CO 0.01 -0.22 -0.13 -0.51 0.16 0.00 0.00 175.35 174.66 1ii3 s LEU 25 N 1.74 2.40 -0.30 5.43 1.43 -0.00 -1.15 118.68 128.23 1ii3 s LEU 25 Ca 0.40 -0.81 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 1ii3 s LEU 25 Cb -0.17 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.54 1ii3 s LEU 25 CO 0.15 -0.16 0.79 -0.32 0.23 0.00 0.00 176.35 177.04 1ii3 s MET 26 N -2.68 3.98 -0.08 1.70 -2.45 0.38 -0.61 119.30 119.54 1ii3 s MET 26 Ca 0.08 0.61 0.01 0.00 -1.25 0.00 0.00 55.69 55.14 1ii3 s MET 26 Cb -0.05 -3.72 0.02 0.00 1.25 0.00 0.00 34.83 32.33 1ii3 s MET 26 CO 0.03 -0.67 -0.09 -0.47 1.05 0.00 0.00 175.02 174.87 1ii3 s TYR 27 N 2.95 1.28 -1.42 4.11 5.04 0.31 -1.50 117.35 128.12 1ii3 s TYR 27 Ca 0.32 -0.51 -0.10 0.00 -2.44 0.00 0.00 57.07 54.35 1ii3 s TYR 27 Cb -0.14 -1.02 0.06 0.00 0.35 0.00 0.00 41.96 41.21 1ii3 s TYR 27 CO 0.12 -0.33 0.66 1.63 -1.34 0.00 0.00 175.55 176.29 1ii3 n LYS 28 N 4.26 -4.36 -0.80 4.97 4.76 -1.26 -1.93 118.16 123.79 1ii3 n LYS 28 Ca -0.19 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 1ii3 n LYS 28 Cb 0.51 -5.41 0.00 0.00 -1.84 0.00 0.00 35.03 28.29 1ii3 n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ii3 n GLY 29 N -1.41 0.72 2.99 0.72 0.00 -1.26 -5.03 105.19 101.92 1ii3 n GLY 29 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1ii3 n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ii3 s GLN 30 N -0.20 0.44 0.17 1.61 -0.21 -0.81 -5.11 119.66 115.54 1ii3 s GLN 30 Ca 0.00 -0.38 -0.31 0.00 0.02 0.00 0.00 55.36 54.70 1ii3 s GLN 30 Cb 0.00 -0.34 -0.09 0.00 1.00 0.00 0.00 33.01 33.58 1ii3 s GLN 30 CO 0.00 0.08 1.37 -1.25 -2.12 0.00 0.00 175.29 173.37 1ii3 s PRO 31 N -0.62 4.34 -0.00 2.91 0.04 -1.26 -0.53 135.00 139.87 1ii3 s PRO 31 Ca -0.02 2.10 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 1ii3 s PRO 31 Cb -0.05 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.28 1ii3 s PRO 31 CO -0.00 -0.37 0.04 -1.64 0.04 0.00 0.00 177.00 175.07 1ii3 s MET 32 N 0.45 0.21 -0.04 4.56 -1.94 0.22 -4.95 119.30 117.82 1ii3 s MET 32 Ca 0.61 -0.22 -0.21 0.00 -1.71 0.00 0.00 55.69 54.16 1ii3 s MET 32 Cb -0.38 0.09 -0.05 0.00 2.01 0.00 0.00 34.83 36.50 1ii3 s MET 32 CO 0.35 -0.04 0.61 0.99 -0.01 0.00 0.00 175.02 176.92 1ii3 s THR 33 N -0.68 4.99 0.02 2.05 2.01 -1.26 -0.82 115.64 121.94 1ii3 s THR 33 Ca -0.08 1.26 0.05 0.00 0.31 0.00 0.00 61.69 63.24 1ii3 s THR 33 Cb -0.05 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1ii3 s THR 33 CO -0.00 0.36 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.79 1ii3 s PHE 34 N 0.20 2.69 -0.16 4.92 0.40 0.69 -0.79 117.98 125.94 1ii3 s PHE 34 Ca 0.32 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.48 1ii3 s PHE 34 Cb -0.18 -1.53 -0.00 0.00 0.51 0.00 0.00 43.02 41.82 1ii3 s PHE 34 CO 0.16 0.29 -0.15 0.50 0.70 0.00 0.00 175.22 176.73 1ii3 s ARG 35 N -1.38 3.23 0.15 0.44 6.06 0.25 -0.58 118.95 127.13 1ii3 s ARG 35 Ca 0.15 -0.74 -0.31 0.00 -2.50 0.00 0.00 55.73 52.34 1ii3 s ARG 35 Cb -0.11 -2.64 -0.08 0.00 0.06 0.00 0.00 34.95 32.18 1ii3 s ARG 35 CO 0.06 0.02 1.39 -0.51 -2.50 0.00 0.00 175.30 173.76 1ii3 s LEU 36 N 0.81 4.38 0.36 -0.88 1.43 0.10 -2.88 118.68 122.00 1ii3 s LEU 36 Ca -0.05 2.40 -0.28 0.00 -1.03 0.00 0.00 54.13 55.17 1ii3 s LEU 36 Cb -0.15 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 1ii3 s LEU 36 CO 0.00 -0.64 1.30 -0.76 0.23 0.00 0.00 176.35 176.48 1ii3 s LEU 37 N 0.67 4.35 0.00 1.79 1.43 -0.29 -3.95 118.68 122.67 1ii3 s LEU 37 Ca 0.62 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 56.39 1ii3 s LEU 37 Cb -0.38 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.09 1ii3 s LEU 37 CO 0.33 -0.65 0.00 0.18 0.23 0.00 0.00 176.35 176.45 1ii3 n LEU 38 N 0.54 0.15 -4.11 1.79 4.77 -1.26 -4.92 117.00 113.96 1ii3 n LEU 38 Ca 0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 1ii3 n LEU 38 Cb 0.43 -0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1ii3 n LEU 38 CO 0.58 -0.09 -0.42 0.68 -1.33 0.00 0.00 177.39 176.81 1ii3 s VAL 39 N -3.17 0.75 -0.15 4.08 -7.23 -1.25 0.84 120.40 114.27 1ii3 s VAL 39 Ca 0.00 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1ii3 s VAL 39 Cb 0.00 -0.92 0.02 0.00 0.56 0.00 0.00 36.38 36.05 1ii3 s VAL 39 CO 0.00 -0.41 -0.12 -0.62 -0.31 0.00 0.00 175.10 173.64 1ii3 s ASP 40 N -1.86 2.66 0.34 4.85 2.15 0.66 -4.71 116.67 120.75 1ii3 s ASP 40 Ca -0.04 -0.49 -0.04 0.00 0.43 0.00 0.00 52.55 52.40 1ii3 s ASP 40 Cb -0.08 -1.12 -0.05 0.00 -0.30 0.00 0.00 42.92 41.38 1ii3 s ASP 40 CO 0.00 -0.08 0.60 0.42 -0.17 0.00 0.00 175.17 175.95 1ii3 s THR 41 N 1.52 5.00 0.58 1.71 -4.23 -1.26 -1.23 115.64 117.73 1ii3 s THR 41 Ca 0.04 0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 60.39 1ii3 s THR 41 Cb -0.13 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 1ii3 s THR 41 CO -0.10 -0.45 1.21 -2.84 -0.54 0.00 0.00 174.62 171.89 1ii3 s PRO 42 N -3.87 3.07 0.28 3.99 0.02 -1.26 -4.91 135.00 132.31 1ii3 s PRO 42 Ca 0.44 1.83 -0.23 0.00 0.02 0.00 0.00 61.00 63.07 1ii3 s PRO 42 Cb -0.10 -1.99 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 1ii3 s PRO 42 CO 0.33 -1.13 0.84 -1.21 -0.33 0.00 0.00 177.00 175.50 1ii3 s GLU 43 N -3.26 4.41 -0.01 5.54 0.41 -1.26 -4.42 118.70 120.10 1ii3 s GLU 43 Ca 0.76 1.10 0.12 0.00 -0.41 0.00 0.00 54.97 56.54 1ii3 s GLU 43 Cb -0.30 -2.79 -0.17 0.00 -1.78 0.00 0.00 34.13 29.08 1ii3 s GLU 43 CO 0.33 0.31 0.33 0.25 -0.49 0.00 0.00 175.26 175.99 1ii3 n THR 44 N 0.55 0.00 -0.03 3.63 -2.24 -1.26 0.31 114.28 115.24 1ii3 n THR 44 Ca 0.00 -0.26 0.01 0.00 -2.27 0.00 0.00 64.05 61.54 1ii3 n THR 44 Cb 0.51 0.46 -0.11 0.00 -2.10 0.00 0.00 70.33 69.09 1ii3 n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ii3 n LYS 45 N -1.72 1.01 -0.41 -0.78 5.02 -1.24 -4.09 118.16 115.95 1ii3 n LYS 45 Ca -0.01 -0.08 -0.16 0.00 -2.02 0.00 0.00 58.31 56.04 1ii3 n LYS 45 Cb 0.27 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 33.91 1ii3 n LYS 45 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1ii3 n HIS 46 N -2.21 0.29 0.06 2.13 -0.00 -1.20 -4.87 115.22 109.42 1ii3 n HIS 46 Ca -0.11 0.28 -0.15 0.00 0.46 0.00 0.00 57.72 58.20 1ii3 n HIS 46 Cb 0.61 -0.55 -0.09 0.00 -0.12 0.00 0.00 29.99 29.84 1ii3 n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1ii3 h PRO 47 N 0.99 -0.64 0.00 1.57 0.10 -1.98 -3.32 132.00 128.73 1ii3 h PRO 47 Ca -0.12 0.04 0.00 0.00 0.10 0.00 0.00 66.00 66.02 1ii3 h PRO 47 Cb 0.36 0.15 0.00 0.00 0.10 0.00 0.00 31.00 31.61 1ii3 h PRO 47 CO 0.20 -0.43 0.00 1.17 0.10 0.00 0.00 178.00 179.05 1ii3 n LYS 48 N -5.46 0.00 -3.07 1.05 3.00 -1.26 -4.74 118.16 107.67 1ii3 n LYS 48 Ca -0.07 0.36 -0.33 0.00 -0.00 0.00 0.00 58.31 58.27 1ii3 n LYS 48 Cb 0.40 -1.15 -0.06 0.00 0.00 0.00 0.00 35.03 34.22 1ii3 n LYS 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1ii3 s LYS 49 N -1.70 4.09 0.00 1.64 2.20 -1.25 -5.04 119.74 119.67 1ii3 s LYS 49 Ca 0.00 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1ii3 s LYS 49 Cb 0.00 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 1ii3 s LYS 49 CO 0.00 0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.57 1ii3 n GLY 50 N -0.23 0.04 3.66 5.54 0.00 -1.25 -3.66 105.19 109.28 1ii3 n GLY 50 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1ii3 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ii3 s VAL 51 N 0.00 5.27 0.52 1.61 1.01 -1.26 -3.23 120.40 124.33 1ii3 s VAL 51 Ca 0.00 0.44 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 1ii3 s VAL 51 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1ii3 s VAL 51 CO 0.00 0.29 0.94 -1.61 0.00 0.00 0.00 175.10 174.72 1ii3 s GLU 52 N 1.25 3.79 0.21 2.72 2.02 0.15 -4.97 118.70 123.86 1ii3 s GLU 52 Ca 0.13 0.75 -0.32 0.00 0.02 0.00 0.00 54.97 55.55 1ii3 s GLU 52 Cb -0.14 -2.18 -0.13 0.00 0.10 0.00 0.00 34.13 31.78 1ii3 s GLU 52 CO 0.06 -0.31 1.64 1.63 0.02 0.00 0.00 175.26 178.31 1ii3 n LYS 53 N -1.91 2.53 -0.96 1.61 4.01 -1.26 -1.20 118.16 120.98 1ii3 n LYS 53 Ca 0.05 0.91 0.00 0.00 -0.51 0.00 0.00 58.31 58.76 1ii3 n LYS 53 Cb 0.54 -2.71 0.00 0.00 -0.51 0.00 0.00 35.03 32.35 1ii3 n LYS 53 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1ii3 n TYR 54 N 3.43 0.00 0.33 2.13 4.01 -1.26 -4.81 117.16 120.99 1ii3 n TYR 54 Ca 0.15 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.70 1ii3 n TYR 54 Cb 0.33 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 39.13 1ii3 n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ii3 h GLY 55 N 0.00 -1.26 1.34 2.72 0.00 -1.37 -0.22 103.07 104.28 1ii3 h GLY 55 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1ii3 h GLY 55 CO 0.00 -0.39 0.42 -2.55 0.00 0.00 0.00 176.54 174.01 1ii3 h PRO 56 N -1.06 0.88 -0.18 4.80 0.11 -1.87 -1.38 132.00 133.31 1ii3 h PRO 56 Ca -0.07 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1ii3 h PRO 56 Cb 0.89 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 1ii3 h PRO 56 CO -0.01 0.60 0.07 0.93 -0.21 0.00 0.00 178.00 179.38 1ii3 h GLU 57 N 0.90 0.27 -0.67 1.05 3.07 -1.92 -0.86 114.58 116.43 1ii3 h GLU 57 Ca 0.24 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 1ii3 h GLU 57 Cb -0.07 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.76 1ii3 h GLU 57 CO -0.05 0.35 0.39 0.00 -1.40 0.00 0.00 179.01 178.30 1ii3 h ALA 58 N 0.91 0.86 -0.57 3.43 0.00 -0.69 -0.67 119.26 122.53 1ii3 h ALA 58 Ca 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ii3 h ALA 58 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1ii3 h ALA 58 CO -0.00 0.35 0.26 0.77 0.00 0.00 0.00 179.25 180.63 1ii3 h SER 59 N 0.92 0.75 0.79 0.00 0.02 -1.09 -0.11 113.55 114.83 1ii3 h SER 59 Ca 0.24 -0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 1ii3 h SER 59 Cb 0.01 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1ii3 h SER 59 CO -0.04 0.68 -0.62 0.00 -1.14 0.00 0.00 176.83 175.71 1ii3 h ALA 60 N 1.10 0.86 0.26 3.77 0.00 -0.94 -1.02 119.26 123.29 1ii3 h ALA 60 Ca 0.19 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1ii3 h ALA 60 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ii3 h ALA 60 CO -0.02 0.77 -0.13 0.35 0.00 0.00 0.00 179.25 180.22 1ii3 h PHE 61 N 0.00 -0.33 -0.65 0.00 3.04 -0.48 0.66 116.94 119.18 1ii3 h PHE 61 Ca -0.01 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.97 1ii3 h PHE 61 Cb 1.18 0.11 -0.05 0.00 2.56 0.00 0.00 35.95 39.75 1ii3 h PHE 61 CO 0.00 -0.18 0.39 1.15 -2.02 0.00 0.00 178.31 177.66 1ii3 h THR 62 N -0.39 1.05 -0.35 4.41 2.02 -0.94 -0.13 112.91 118.56 1ii3 h THR 62 Ca -0.04 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1ii3 h THR 62 Cb 0.30 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1ii3 h THR 62 CO 0.06 0.14 0.17 0.50 0.37 0.00 0.00 175.52 176.76 1ii3 h LYS 63 N 0.75 0.51 -0.55 6.66 3.64 -0.97 -1.53 116.57 125.09 1ii3 h LYS 63 Ca 0.27 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 1ii3 h LYS 63 Cb 0.07 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1ii3 h LYS 63 CO -0.13 0.47 -0.09 0.87 -2.27 0.00 0.00 179.45 178.30 1ii3 h LYS 64 N 0.43 1.03 -0.29 1.90 6.56 -0.60 -0.43 116.57 125.17 1ii3 h LYS 64 Ca 0.12 -0.37 -0.10 0.00 -1.06 0.00 0.00 60.65 59.24 1ii3 h LYS 64 Cb 0.12 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 1ii3 h LYS 64 CO -0.01 1.06 -0.23 1.98 -2.06 0.00 0.00 179.45 180.19 1ii3 h MET 65 N 0.91 0.55 0.18 3.15 4.05 -0.82 -2.61 114.93 120.35 1ii3 h MET 65 Ca 0.14 -0.21 -0.31 0.00 -0.28 0.00 0.00 59.70 59.05 1ii3 h MET 65 Cb 0.66 -0.03 0.02 0.00 -0.80 0.00 0.00 31.60 31.44 1ii3 h MET 65 CO 0.05 0.74 -1.39 -0.07 0.23 0.00 0.00 176.91 176.47 1ii3 h LEU 66 N 0.49 0.60 -1.18 3.39 3.38 -1.06 -3.14 115.31 117.79 1ii3 h LEU 66 Ca 0.07 -0.67 -0.08 0.00 0.09 0.00 0.00 57.88 57.29 1ii3 h LEU 66 Cb 0.66 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1ii3 h LEU 66 CO 0.05 1.53 -0.38 -0.33 0.09 0.00 0.00 178.44 179.40 1ii3 h GLU 67 N 0.11 0.00 -0.42 1.13 5.08 -1.05 -2.80 114.58 116.63 1ii3 h GLU 67 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1ii3 h GLU 67 Cb 2.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1ii3 h GLU 67 CO 0.23 0.38 0.00 0.09 -1.00 0.00 0.00 179.01 178.71 1ii3 n ASN 68 N -3.87 3.34 -4.79 1.42 3.02 -0.99 -4.95 115.26 108.44 1ii3 n ASN 68 Ca -0.01 -1.97 -0.36 0.00 -0.03 0.00 0.00 54.58 52.21 1ii3 n ASN 68 Cb 0.44 -0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 39.30 1ii3 n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ii3 s ALA 69 N -1.46 3.04 0.06 5.41 0.00 -1.06 -4.98 121.76 122.77 1ii3 s ALA 69 Ca 0.39 0.63 -0.13 0.00 0.00 0.00 0.00 51.96 52.85 1ii3 s ALA 69 Cb 0.23 -3.24 -0.30 0.00 0.00 0.00 0.00 23.12 19.80 1ii3 s ALA 69 CO 0.31 -0.16 1.09 0.87 0.00 0.00 0.00 175.76 177.87 1ii3 h LYS 70 N 2.27 0.54 -4.15 0.00 1.57 -1.92 -3.47 116.57 111.41 1ii3 h LYS 70 Ca -0.48 -0.79 -0.36 0.00 -1.87 0.00 0.00 60.65 57.14 1ii3 h LYS 70 Cb 1.21 0.28 -0.31 0.00 0.08 0.00 0.00 32.23 33.48 1ii3 h LYS 70 CO 0.62 1.36 -0.76 0.15 -0.57 0.00 0.00 179.45 180.25 1ii3 s LYS 71 N -2.84 0.57 -0.03 3.15 1.02 -1.26 -5.02 119.74 115.33 1ii3 s LYS 71 Ca -0.08 -0.13 0.04 0.00 0.02 0.00 0.00 55.97 55.82 1ii3 s LYS 71 Cb 0.05 -0.59 -0.03 0.00 -0.52 0.00 0.00 37.83 36.75 1ii3 s LYS 71 CO 0.93 0.01 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.71 1ii3 s LEU 72 N 0.40 2.66 0.04 3.17 1.43 -1.26 -0.80 118.68 124.33 1ii3 s LEU 72 Ca -0.05 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1ii3 s LEU 72 Cb -0.08 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 1ii3 s LEU 72 CO -0.00 0.33 -0.09 -1.61 0.23 0.00 0.00 176.35 175.21 1ii3 s GLU 73 N -0.84 0.59 0.01 1.70 2.02 -0.21 -1.90 118.70 120.08 1ii3 s GLU 73 Ca 0.12 -0.66 0.04 0.00 0.02 0.00 0.00 54.97 54.49 1ii3 s GLU 73 Cb -0.11 -0.46 -0.03 0.00 0.10 0.00 0.00 34.13 33.63 1ii3 s GLU 73 CO 0.01 0.10 -0.10 0.14 0.02 0.00 0.00 175.26 175.43 1ii3 s VAL 74 N -1.04 3.38 -0.18 2.63 -7.23 0.27 -0.54 120.40 117.70 1ii3 s VAL 74 Ca -0.05 -0.87 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 1ii3 s VAL 74 Cb -0.08 -2.45 0.05 0.00 0.56 0.00 0.00 36.38 34.46 1ii3 s VAL 74 CO 0.01 0.40 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.47 1ii3 s GLU 75 N -1.36 1.21 0.52 4.82 2.12 0.39 -0.75 118.70 125.65 1ii3 s GLU 75 Ca 0.16 -0.56 -0.18 0.00 0.36 0.00 0.00 54.97 54.75 1ii3 s GLU 75 Cb -0.11 -2.11 -0.07 0.00 0.26 0.00 0.00 34.13 32.09 1ii3 s GLU 75 CO 0.06 -0.52 1.01 -0.06 -0.54 0.00 0.00 175.26 175.21 1ii3 s PHE 76 N 1.66 3.22 0.00 5.30 0.08 -1.26 -0.52 117.98 126.46 1ii3 s PHE 76 Ca -0.01 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.56 1ii3 s PHE 76 Cb -0.16 -2.91 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 1ii3 s PHE 76 CO -0.07 -0.61 0.00 -3.47 -0.10 0.00 0.00 175.22 170.97 1ii3 n ASP 77 N -1.43 0.00 -0.34 1.36 -0.08 -1.26 -4.61 116.55 110.20 1ii3 n ASP 77 Ca 0.08 -0.62 0.13 0.00 -1.51 0.00 0.00 54.79 52.87 1ii3 n ASP 77 Cb 0.53 0.00 0.37 0.00 2.34 0.00 0.00 41.12 44.36 1ii3 n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1ii3 n LYS 78 N -0.62 1.08 0.00 -0.67 5.02 -1.26 -4.88 118.16 116.83 1ii3 n LYS 78 Ca 0.00 -0.67 0.00 0.00 -2.02 0.00 0.00 58.31 55.62 1ii3 n LYS 78 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1ii3 n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ii3 n GLY 79 N 1.31 2.44 3.65 0.72 0.00 -1.26 -4.96 105.19 107.09 1ii3 n GLY 79 Ca 0.13 -1.82 -0.45 0.00 0.00 0.00 0.00 46.02 43.88 1ii3 n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ii3 n GLN 80 N 0.00 1.87 -0.00 1.61 6.02 -1.26 -4.92 117.38 120.70 1ii3 n GLN 80 Ca 0.00 0.66 0.10 0.00 -0.01 0.00 0.00 57.00 57.76 1ii3 n GLN 80 Cb 0.00 -2.27 -0.10 0.00 1.02 0.00 0.00 30.24 28.89 1ii3 n GLN 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ii3 n ARG 81 N 1.74 0.11 -4.21 -1.09 5.12 -1.26 -4.83 116.66 112.23 1ii3 n ARG 81 Ca 0.11 -0.03 -0.16 0.00 -1.93 0.00 0.00 57.85 55.84 1ii3 n ARG 81 Cb 0.31 -1.51 -0.11 0.00 -1.16 0.00 0.00 32.46 29.99 1ii3 n ARG 81 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1ii3 s THR 82 N -3.08 1.17 0.51 0.55 -4.23 -1.26 -0.94 115.64 108.35 1ii3 s THR 82 Ca 0.06 -1.68 0.07 0.00 -1.18 0.00 0.00 61.69 58.96 1ii3 s THR 82 Cb 0.16 -1.45 0.09 0.00 1.34 0.00 0.00 72.50 72.63 1ii3 s THR 82 CO 0.86 -0.47 0.70 -0.90 -0.54 0.00 0.00 174.62 174.27 1ii3 n ASP 83 N 0.55 1.70 0.16 3.99 5.68 -0.41 -4.90 116.55 123.32 1ii3 n ASP 83 Ca -0.16 -2.26 0.13 0.00 -0.50 0.00 0.00 54.79 52.00 1ii3 n ASP 83 Cb 0.57 -0.39 0.57 0.00 -1.14 0.00 0.00 41.12 40.74 1ii3 n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1ii3 h LYS 84 N 0.00 0.00 -0.14 0.11 2.10 -2.02 -0.74 116.57 115.88 1ii3 h LYS 84 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1ii3 h LYS 84 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1ii3 h LYS 84 CO 0.32 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.43 1ii3 n TYR 85 N -2.36 0.16 -0.68 0.07 4.01 -1.26 -4.92 117.16 112.18 1ii3 n TYR 85 Ca 0.01 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1ii3 n TYR 85 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1ii3 n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ii3 n GLY 86 N 1.22 0.72 3.77 2.72 0.00 -0.28 -5.03 105.19 108.30 1ii3 n GLY 86 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1ii3 n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ii3 s ARG 87 N -0.32 4.62 0.46 1.61 0.52 -1.26 -4.74 118.95 119.84 1ii3 s ARG 87 Ca 0.00 1.23 -0.24 0.00 -0.52 0.00 0.00 55.73 56.20 1ii3 s ARG 87 Cb 0.00 -3.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.12 1ii3 s ARG 87 CO 0.00 0.52 1.25 0.20 0.02 0.00 0.00 175.30 177.29 1ii3 s GLY 88 N -1.01 2.85 -0.30 -3.53 0.00 0.02 -1.29 107.32 104.06 1ii3 s GLY 88 Ca 0.37 1.11 -0.05 0.00 0.00 0.00 0.00 44.72 46.15 1ii3 s GLY 88 CO 0.27 1.62 0.06 1.08 0.00 0.00 0.00 173.10 176.13 1ii3 s LEU 89 N -2.93 3.92 0.23 0.66 2.01 -0.11 -0.58 118.68 121.87 1ii3 s LEU 89 Ca 0.63 -0.96 -0.19 0.00 0.01 0.00 0.00 54.13 53.62 1ii3 s LEU 89 Cb -0.34 -1.82 0.03 0.00 0.01 0.00 0.00 46.19 44.06 1ii3 s LEU 89 CO 0.42 -0.24 0.60 0.00 1.01 0.00 0.00 176.35 178.14 1ii3 s ALA 90 N 1.41 -1.05 -0.11 4.21 0.00 -1.14 -4.37 121.76 120.70 1ii3 s ALA 90 Ca -0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 1ii3 s ALA 90 Cb -0.18 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 1ii3 s ALA 90 CO 0.01 -0.89 0.33 0.71 0.00 0.00 0.00 175.76 175.92 1ii3 s TYR 91 N -3.89 3.54 -0.14 0.00 2.02 0.32 -1.14 117.35 118.06 1ii3 s TYR 91 Ca 0.10 0.72 -0.04 0.00 -0.37 0.00 0.00 57.07 57.48 1ii3 s TYR 91 Cb -0.03 -2.32 -0.03 0.00 -0.40 0.00 0.00 41.96 39.18 1ii3 s TYR 91 CO 0.01 0.37 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.17 1ii3 s LEU 92 N -0.01 3.39 -0.06 -1.29 2.96 -1.26 -0.46 118.68 121.95 1ii3 s LEU 92 Ca 0.19 -0.04 0.06 0.00 -0.22 0.00 0.00 54.13 54.12 1ii3 s LEU 92 Cb -0.14 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1ii3 s LEU 92 CO 0.07 0.21 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.76 1ii3 s TYR 93 N 0.10 2.46 -0.28 5.38 1.51 0.30 -0.29 117.35 126.53 1ii3 s TYR 93 Ca 0.01 -0.70 -0.02 0.00 -1.01 0.00 0.00 57.07 55.34 1ii3 s TYR 93 Cb -0.13 -1.61 0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1ii3 s TYR 93 CO 0.02 -0.20 -0.01 0.00 -1.11 0.00 0.00 175.55 174.25 1ii3 s ALA 94 N -0.16 2.81 -1.51 3.71 0.00 -0.14 -1.05 121.76 125.41 1ii3 s ALA 94 Ca -0.03 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 50.22 1ii3 s ALA 94 Cb -0.14 -1.88 0.07 0.00 0.00 0.00 0.00 23.12 21.17 1ii3 s ALA 94 CO 0.04 -1.07 0.72 -0.25 0.00 0.00 0.00 175.76 175.20 1ii3 n ASP 95 N 4.67 -2.51 0.00 0.00 8.00 0.02 -1.45 116.55 125.29 1ii3 n ASP 95 Ca -0.15 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1ii3 n ASP 95 Cb 0.45 -3.36 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 1ii3 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ii3 n GLY 96 N -1.68 1.54 3.59 0.44 0.00 -1.26 -5.01 105.19 102.80 1ii3 n GLY 96 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1ii3 n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ii3 s LYS 97 N -0.02 3.95 -0.13 1.61 1.02 -0.53 -5.06 119.74 120.59 1ii3 s LYS 97 Ca 0.00 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.37 1ii3 s LYS 97 Cb 0.00 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 1ii3 s LYS 97 CO 0.00 -0.11 1.64 1.41 -0.92 0.00 0.00 175.35 177.37 1ii3 s MET 98 N 1.54 4.01 0.23 1.68 1.75 -1.26 -0.97 119.30 126.28 1ii3 s MET 98 Ca 0.07 1.96 -0.07 0.00 -1.25 0.00 0.00 55.69 56.41 1ii3 s MET 98 Cb -0.15 -4.01 0.32 0.00 2.84 0.00 0.00 34.83 33.83 1ii3 s MET 98 CO 0.08 -1.05 1.81 1.25 -0.65 0.00 0.00 175.02 176.47 1ii3 h LEU 99 N 10.91 0.61 -0.67 4.11 5.85 -1.01 -1.44 115.31 133.67 1ii3 h LEU 99 Ca -0.37 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.43 1ii3 h LEU 99 Cb 1.17 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 1ii3 h LEU 99 CO 0.97 0.37 0.41 0.78 -0.34 0.00 0.00 178.44 180.63 1ii3 h ASN 100 N 0.74 0.65 -0.32 1.25 4.21 -1.91 -1.65 115.58 118.55 1ii3 h ASN 100 Ca 0.35 0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.80 1ii3 h ASN 100 Cb 0.27 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 1ii3 h ASN 100 CO -0.22 0.44 -0.05 -0.08 -1.29 0.00 0.00 177.43 176.24 1ii3 h GLU 101 N 0.79 0.60 -0.95 0.81 4.22 -1.86 -2.93 114.58 115.26 1ii3 h GLU 101 Ca 0.28 -0.22 0.07 0.00 0.08 0.00 0.00 59.36 59.57 1ii3 h GLU 101 Cb 0.07 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 1ii3 h GLU 101 CO -0.13 0.77 0.60 0.00 -2.18 0.00 0.00 179.01 178.07 1ii3 h ALA 102 N 0.81 1.31 -0.34 2.92 0.00 -0.70 0.39 119.26 123.67 1ii3 h ALA 102 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ii3 h ALA 102 Cb 0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ii3 h ALA 102 CO 0.03 0.37 0.11 -0.07 0.00 0.00 0.00 179.25 179.68 1ii3 h LEU 103 N 1.09 0.49 -0.36 0.00 3.38 -1.33 -2.08 115.31 116.50 1ii3 h LEU 103 Ca 0.41 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1ii3 h LEU 103 Cb 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ii3 h LEU 103 CO -0.18 0.56 0.03 0.58 0.09 0.00 0.00 178.44 179.53 1ii3 h VAL 104 N 0.39 1.25 -0.09 1.22 2.07 -1.15 -0.22 116.25 119.72 1ii3 h VAL 104 Ca 0.11 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1ii3 h VAL 104 Cb 0.25 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ii3 h VAL 104 CO -0.00 0.30 0.06 -0.09 0.02 0.00 0.00 177.57 177.86 1ii3 h ARG 105 N 0.44 0.00 -0.21 1.57 9.65 -0.16 -0.70 114.38 124.97 1ii3 h ARG 105 Ca 0.11 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1ii3 h ARG 105 Cb 0.40 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1ii3 h ARG 105 CO 0.01 0.00 0.00 1.04 2.80 0.00 0.00 179.97 183.82 1ii3 n GLN 106 N -4.45 1.78 -2.01 0.20 1.13 -0.79 -4.37 117.38 108.88 1ii3 n GLN 106 Ca -0.01 -1.19 -0.14 0.00 -1.94 0.00 0.00 57.00 53.72 1ii3 n GLN 106 Cb 0.17 -1.38 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 1ii3 n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ii3 n GLY 107 N 1.14 0.30 0.71 1.08 0.00 -0.27 -4.45 105.19 103.70 1ii3 n GLY 107 Ca 0.16 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1ii3 n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ii3 n LEU 108 N -1.93 2.72 -3.64 0.99 4.77 -0.11 -1.22 117.00 118.57 1ii3 n LEU 108 Ca -0.16 -1.49 -0.14 0.00 -0.03 0.00 0.00 56.01 54.18 1ii3 n LEU 108 Cb 0.58 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1ii3 n LEU 108 CO 0.20 0.60 0.20 0.00 -1.33 0.00 0.00 177.39 177.07 1ii3 s ALA 109 N -1.11 -1.16 0.22 -1.18 0.00 -1.15 -4.32 121.76 113.05 1ii3 s ALA 109 Ca 0.24 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.83 1ii3 s ALA 109 Cb 0.14 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1ii3 s ALA 109 CO 0.20 -0.40 0.08 -1.59 0.00 0.00 0.00 175.76 174.04 1ii3 s LYS 110 N -1.95 2.60 0.23 0.00 -2.85 -0.37 -4.44 119.74 112.97 1ii3 s LYS 110 Ca -0.08 -1.14 -0.30 0.00 -1.00 0.00 0.00 55.97 53.45 1ii3 s LYS 110 Cb -0.02 -2.41 -0.09 0.00 -2.06 0.00 0.00 37.83 33.25 1ii3 s LYS 110 CO 0.02 0.42 1.35 0.08 0.10 0.00 0.00 175.35 177.32 1ii3 s VAL 111 N -2.01 2.95 0.00 1.79 1.01 -1.26 -0.24 120.40 122.64 1ii3 s VAL 111 Ca 0.31 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1ii3 s VAL 111 Cb -0.08 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1ii3 s VAL 111 CO 0.22 0.13 0.00 0.00 0.00 0.00 0.00 175.10 175.45 1ii3 n ALA 112 N 2.29 0.00 -2.70 5.51 0.00 0.25 -4.76 120.51 121.09 1ii3 n ALA 112 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.10 1ii3 n ALA 112 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 1ii3 n ALA 112 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ii3 s TYR 113 N -0.73 3.53 -0.20 0.00 1.51 -1.26 -4.97 117.35 115.22 1ii3 s TYR 113 Ca 0.00 1.20 -0.12 0.00 -1.01 0.00 0.00 57.07 57.14 1ii3 s TYR 113 Cb 0.00 -2.83 -0.05 0.00 -0.11 0.00 0.00 41.96 38.97 1ii3 s TYR 113 CO 0.00 0.01 0.23 0.08 -1.11 0.00 0.00 175.55 174.75 1ii3 s VAL 114 N 1.14 5.33 -0.45 0.71 1.01 -1.26 -4.89 120.40 122.00 1ii3 s VAL 114 Ca 0.36 0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.67 1ii3 s VAL 114 Cb -0.17 -3.57 0.12 0.00 0.00 0.00 0.00 36.38 32.76 1ii3 s VAL 114 CO 0.16 0.37 0.27 -0.31 0.00 0.00 0.00 175.10 175.59 1ii3 s TYR 115 N 0.72 3.53 0.38 5.22 2.02 -1.26 -5.07 117.35 122.88 1ii3 s TYR 115 Ca 0.12 -2.27 -0.26 0.00 -0.37 0.00 0.00 57.07 54.29 1ii3 s TYR 115 Cb -0.13 -3.32 -0.11 0.00 -0.40 0.00 0.00 41.96 38.00 1ii3 s TYR 115 CO 0.03 -0.97 1.16 1.63 -1.57 0.00 0.00 175.55 175.83 1ii3 n LYS 116 N 4.60 1.72 -0.97 -0.62 4.76 -1.26 -0.42 118.16 125.98 1ii3 n LYS 116 Ca -0.03 0.61 -0.03 0.00 -2.87 0.00 0.00 58.31 55.99 1ii3 n LYS 116 Cb 0.41 -2.19 0.32 0.00 -1.84 0.00 0.00 35.03 31.73 1ii3 n LYS 116 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1ii3 n PRO 117 N 0.30 3.93 -1.87 1.97 -0.04 -1.26 -5.00 135.00 133.04 1ii3 n PRO 117 Ca 0.07 -2.98 -0.42 0.00 -0.04 0.00 0.00 63.50 60.14 1ii3 n PRO 117 Cb 0.37 -2.20 -0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1ii3 n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ii3 n ASN 118 N 0.06 4.75 -0.83 3.54 3.02 0.44 -4.29 115.26 121.94 1ii3 n ASN 118 Ca 0.37 -2.90 -0.01 0.00 -0.03 0.00 0.00 54.58 52.00 1ii3 n ASN 118 Cb 1.31 -1.59 -0.01 0.00 -0.61 0.00 0.00 39.78 38.88 1ii3 n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ii3 n ASN 119 N 5.13 -0.07 -0.18 6.41 6.94 -1.26 -4.50 115.26 127.74 1ii3 n ASN 119 Ca 0.51 -1.69 -0.01 0.00 -0.02 0.00 0.00 54.58 53.37 1ii3 n ASN 119 Cb 0.36 -0.02 0.09 0.00 -2.36 0.00 0.00 39.78 37.85 1ii3 n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1ii3 h THR 120 N 5.85 0.71 -0.57 5.53 2.02 -1.98 -2.59 112.91 121.88 1ii3 h THR 120 Ca -0.20 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1ii3 h THR 120 Cb 1.38 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1ii3 h THR 120 CO -0.06 0.05 0.04 1.41 0.37 0.00 0.00 175.52 177.33 1ii3 n HIS 121 N -5.09 2.04 -0.32 3.16 8.25 -1.26 -4.58 115.22 117.42 1ii3 n HIS 121 Ca 0.07 -0.75 -0.04 0.00 -0.26 0.00 0.00 57.72 56.74 1ii3 n HIS 121 Cb 0.27 -0.52 0.08 0.00 1.12 0.00 0.00 29.99 30.95 1ii3 n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1ii3 h GLU 122 N 3.62 1.17 -0.03 -0.41 4.81 -1.85 -1.98 114.58 119.91 1ii3 h GLU 122 Ca 0.04 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1ii3 h GLU 122 Cb 1.96 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 31.09 1ii3 h GLU 122 CO 0.51 0.81 0.01 1.96 -0.73 0.00 0.00 179.01 181.56 1ii3 h GLN 123 N 1.19 0.05 -0.37 1.92 4.20 -1.83 -0.59 115.11 119.69 1ii3 h GLN 123 Ca 0.31 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.05 1ii3 h GLN 123 Cb -0.08 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 1ii3 h GLN 123 CO -0.06 0.22 0.15 1.25 -0.67 0.00 0.00 178.83 179.71 1ii3 h HIS 124 N -0.12 0.27 -0.16 2.96 2.76 -1.87 -1.45 115.15 117.54 1ii3 h HIS 124 Ca 0.01 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 1ii3 h HIS 124 Cb 0.18 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1ii3 h HIS 124 CO -0.01 0.12 -0.35 -0.07 -1.30 0.00 0.00 177.93 176.32 1ii3 h LEU 125 N 0.32 0.33 -1.06 0.26 3.38 -1.22 -1.77 115.31 115.56 1ii3 h LEU 125 Ca 0.16 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1ii3 h LEU 125 Cb 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ii3 h LEU 125 CO -0.15 0.67 -0.45 0.03 0.09 0.00 0.00 178.44 178.62 1ii3 h ARG 126 N 0.28 0.04 -0.49 1.13 3.08 -0.63 0.15 114.38 117.94 1ii3 h ARG 126 Ca 0.03 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 1ii3 h ARG 126 Cb 0.75 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1ii3 h ARG 126 CO 0.06 0.49 -0.17 0.87 -1.07 0.00 0.00 179.97 180.14 1ii3 h LYS 127 N 0.03 0.98 -0.15 0.04 1.57 -0.93 0.87 116.57 118.98 1ii3 h LYS 127 Ca -0.00 -0.40 -0.11 0.00 -1.87 0.00 0.00 60.65 58.27 1ii3 h LYS 127 Cb 0.81 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1ii3 h LYS 127 CO 0.06 1.07 -0.38 0.77 -0.57 0.00 0.00 179.45 180.40 1ii3 h SER 128 N 0.83 0.34 -0.40 0.86 0.02 -0.91 -2.08 113.55 112.21 1ii3 h SER 128 Ca 0.12 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1ii3 h SER 128 Cb 0.74 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1ii3 h SER 128 CO 0.06 0.69 -0.19 -0.08 -1.14 0.00 0.00 176.83 176.17 1ii3 h GLU 129 N 0.28 0.90 -0.36 3.45 4.81 -0.40 -0.95 114.58 122.30 1ii3 h GLU 129 Ca 0.03 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 1ii3 h GLU 129 Cb 0.80 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1ii3 h GLU 129 CO 0.06 1.01 -0.04 0.00 -0.73 0.00 0.00 179.01 179.32 1ii3 h ALA 130 N 0.99 1.26 -0.21 2.92 0.00 -0.56 -1.27 119.26 122.38 1ii3 h ALA 130 Ca 0.11 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1ii3 h ALA 130 Cb 0.74 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ii3 h ALA 130 CO 0.06 0.49 -0.19 0.37 0.00 0.00 0.00 179.25 179.98 1ii3 h GLN 131 N 0.56 0.50 -0.21 0.00 5.75 -1.17 -2.04 115.11 118.49 1ii3 h GLN 131 Ca 0.11 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1ii3 h GLN 131 Cb 0.41 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1ii3 h GLN 131 CO 0.02 0.83 0.11 0.00 -2.65 0.00 0.00 178.83 177.14 1ii3 h ALA 132 N 0.66 1.79 -0.07 3.38 0.00 -0.85 -1.43 119.26 122.74 1ii3 h ALA 132 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ii3 h ALA 132 Cb 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ii3 h ALA 132 CO 0.05 0.18 -0.15 0.87 0.00 0.00 0.00 179.25 180.20 1ii3 h LYS 133 N 0.29 0.23 -0.91 0.00 1.57 -1.11 -1.18 116.57 115.47 1ii3 h LYS 133 Ca 0.08 -0.15 0.21 0.00 -1.87 0.00 0.00 60.65 58.92 1ii3 h LYS 133 Cb 0.02 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 1ii3 h LYS 133 CO -0.01 0.74 0.61 -0.22 -0.57 0.00 0.00 179.45 179.99 1ii3 h LYS 134 N -0.25 0.35 -0.01 3.15 3.64 -1.07 0.45 116.57 122.84 1ii3 h LYS 134 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ii3 h LYS 134 Cb 0.73 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1ii3 h LYS 134 CO 0.03 0.23 -0.33 0.39 -2.27 0.00 0.00 179.45 177.51 1ii3 n GLU 135 N -4.49 0.60 -3.69 1.90 1.02 -0.56 -4.97 120.64 110.44 1ii3 n GLU 135 Ca 0.20 -0.35 -0.22 0.00 -0.02 0.00 0.00 57.16 56.77 1ii3 n GLU 135 Cb 0.74 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.70 1ii3 n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ii3 n LYS 136 N -0.89 -5.22 -3.11 3.49 5.02 0.16 -4.97 118.16 112.64 1ii3 n LYS 136 Ca 0.10 0.65 -0.39 0.00 -2.02 0.00 0.00 58.31 56.65 1ii3 n LYS 136 Cb 0.34 -5.30 -0.05 0.00 -0.02 0.00 0.00 35.03 30.00 1ii3 n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ii3 s LEU 137 N -6.72 4.42 0.00 -0.35 1.43 -0.78 -3.52 118.68 113.15 1ii3 s LEU 137 Ca 0.09 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 1ii3 s LEU 137 Cb -0.04 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.13 1ii3 s LEU 137 CO 0.80 0.05 0.00 0.59 0.23 0.00 0.00 176.35 178.02 1ii3 n ASN 138 N 2.87 0.00 0.00 2.29 3.02 -1.26 -0.40 115.26 121.77 1ii3 n ASN 138 Ca -0.05 0.00 0.22 0.00 -0.03 0.00 0.00 54.58 54.72 1ii3 n ASN 138 Cb 0.51 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.40 1ii3 n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ii3 h ILE 139 N 0.00 0.60 -0.10 2.41 2.04 -1.46 0.52 117.51 121.52 1ii3 h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ii3 h ILE 139 Cb 0.00 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1ii3 h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1ii3 n TRP 140 N -4.16 0.12 1.88 1.37 5.03 0.46 -5.13 117.44 117.00 1ii3 n TRP 140 Ca 0.10 -0.06 0.16 0.00 3.03 0.00 0.00 57.50 60.73 1ii3 n TRP 140 Cb 0.66 0.00 0.85 0.00 -1.03 0.00 0.00 31.31 31.78 1ii3 n TRP 140 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53