#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ihz n LEU 7 N 0.00 3.77 -4.12 3.14 4.77 -1.26 -5.01 117.00 118.29 1ihz n LEU 7 Ca 0.00 0.90 -0.18 0.00 -0.03 0.00 0.00 56.01 56.69 1ihz n LEU 7 Cb 0.00 -1.42 -0.13 0.00 -2.33 0.00 0.00 43.42 39.54 1ihz n LEU 7 CO 0.00 -1.51 -0.45 -1.38 -1.33 0.00 0.00 177.39 172.72 1ihz s HIS 8 N -1.41 1.08 -0.13 -1.77 -3.43 -1.26 -5.11 115.29 103.26 1ihz s HIS 8 Ca 0.71 -0.36 -0.19 0.00 -0.80 0.00 0.00 55.06 54.43 1ihz s HIS 8 Cb -0.45 -0.64 -0.04 0.00 -1.43 0.00 0.00 32.58 30.02 1ihz s HIS 8 CO 0.50 0.02 0.52 0.15 -2.00 0.00 0.00 174.74 173.92 1ihz s LYS 9 N -1.16 4.32 0.17 -0.38 1.02 -1.26 -4.27 119.74 118.19 1ihz s LYS 9 Ca -0.00 0.50 0.10 0.00 0.02 0.00 0.00 55.97 56.59 1ihz s LYS 9 Cb -0.08 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1ihz s LYS 9 CO 0.01 0.08 -0.21 -1.21 -0.92 0.00 0.00 175.35 173.10 1ihz s GLU 10 N 0.85 1.37 0.58 1.68 2.02 0.04 -4.94 118.70 120.30 1ihz s GLU 10 Ca 0.27 -1.44 -0.15 0.00 0.02 0.00 0.00 54.97 53.67 1ihz s GLU 10 Cb -0.15 -1.55 -0.05 0.00 0.10 0.00 0.00 34.13 32.47 1ihz s GLU 10 CO 0.11 0.33 1.03 -1.25 0.02 0.00 0.00 175.26 175.49 1ihz s PRO 11 N -2.69 3.56 0.16 0.39 0.04 -1.26 0.09 135.00 135.29 1ihz s PRO 11 Ca 0.17 1.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.10 1ihz s PRO 11 Cb -0.07 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1ihz s PRO 11 CO 0.08 -0.60 0.42 0.00 0.04 0.00 0.00 177.00 176.94 1ihz s ALA 12 N -2.66 -0.70 -0.02 8.56 0.00 -0.85 -4.62 121.76 121.46 1ihz s ALA 12 Ca 0.60 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.28 1ihz s ALA 12 Cb -0.13 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1ihz s ALA 12 CO 0.38 -0.71 -0.16 0.99 0.00 0.00 0.00 175.76 176.26 1ihz s THR 13 N -3.87 1.30 0.23 0.00 2.01 -0.56 -4.22 115.64 110.53 1ihz s THR 13 Ca 0.09 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 1ihz s THR 13 Cb 0.01 -1.10 -0.09 0.00 0.01 0.00 0.00 72.50 71.34 1ihz s THR 13 CO -0.05 0.37 1.18 -0.22 -0.69 0.00 0.00 174.62 175.21 1ihz s LEU 14 N -0.25 4.48 -0.18 4.42 2.96 -1.26 -0.34 118.68 128.51 1ihz s LEU 14 Ca 0.03 2.30 -0.12 0.00 -0.22 0.00 0.00 54.13 56.12 1ihz s LEU 14 Cb -0.08 -3.62 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 1ihz s LEU 14 CO 0.00 -0.32 -0.28 -0.38 -1.32 0.00 0.00 176.35 174.06 1ihz n ILE 15 N 1.90 1.30 -3.63 6.68 5.41 -0.14 -4.79 119.36 126.09 1ihz n ILE 15 Ca 0.02 -0.10 -0.12 0.00 1.00 0.00 0.00 62.75 63.55 1ihz n ILE 15 Cb 0.44 -1.96 -0.07 0.00 -0.71 0.00 0.00 39.64 37.35 1ihz n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1ihz s LYS 16 N -2.53 0.77 -0.03 0.38 2.20 -0.68 -5.01 119.74 114.83 1ihz s LYS 16 Ca -0.27 1.01 -0.29 0.00 -0.36 0.00 0.00 55.97 56.06 1ihz s LYS 16 Cb 0.08 0.32 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 1ihz s LYS 16 CO 0.37 -0.11 0.94 0.00 -0.36 0.00 0.00 175.35 176.19 1ihz s ALA 17 N 0.69 3.24 -0.19 3.13 0.00 -1.26 -0.82 121.76 126.56 1ihz s ALA 17 Ca -0.02 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.20 1ihz s ALA 17 Cb -0.05 -3.31 -0.21 0.00 0.00 0.00 0.00 23.12 19.56 1ihz s ALA 17 CO -0.05 -0.30 0.23 -0.89 0.00 0.00 0.00 175.76 174.75 1ihz n ILE 18 N 4.04 1.59 -2.26 0.00 5.41 0.30 -4.94 119.36 123.50 1ihz n ILE 18 Ca 0.06 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1ihz n ILE 18 Cb 0.51 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 1ihz n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1ihz n ASP 19 N -4.20 0.00 -0.28 4.38 5.75 -0.96 -5.00 116.55 116.23 1ihz n ASP 19 Ca -0.33 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.53 1ihz n ASP 19 Cb 0.78 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 41.18 1ihz n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1ihz h GLY 20 N 0.00 1.28 -0.14 6.12 0.00 -1.84 -3.27 103.07 105.23 1ihz h GLY 20 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1ihz h GLY 20 CO 0.00 0.18 -0.07 2.09 0.00 0.00 0.00 176.54 178.74 1ihz n ASP 21 N -4.54 1.15 -3.88 0.19 5.68 -1.26 -4.80 116.55 109.09 1ihz n ASP 21 Ca 0.16 -1.86 -0.21 0.00 -0.50 0.00 0.00 54.79 52.37 1ihz n ASP 21 Cb 0.34 -0.10 -0.17 0.00 -1.14 0.00 0.00 41.12 40.06 1ihz n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ihz s THR 22 N -0.86 0.58 0.05 2.12 2.01 -1.23 -1.07 115.64 117.23 1ihz s THR 22 Ca 0.05 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.97 1ihz s THR 22 Cb 0.05 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 1ihz s THR 22 CO 0.00 0.25 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.34 1ihz s LEU 23 N 1.18 2.29 -0.26 4.42 1.43 -0.28 -0.54 118.68 126.92 1ihz s LEU 23 Ca -0.07 -0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 52.33 1ihz s LEU 23 Cb -0.14 -0.19 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 1ihz s LEU 23 CO -0.01 -0.22 0.12 -0.75 0.23 0.00 0.00 176.35 175.71 1ihz s LYS 24 N -1.86 3.80 0.14 1.70 2.20 0.00 0.58 119.74 126.29 1ihz s LYS 24 Ca -0.07 -0.40 0.07 0.00 -0.36 0.00 0.00 55.97 55.21 1ihz s LYS 24 Cb -0.08 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1ihz s LYS 24 CO -0.00 -0.16 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.16 1ihz s LEU 25 N 1.61 2.41 -0.25 5.43 1.43 -0.08 -0.96 118.68 128.27 1ihz s LEU 25 Ca 0.06 -0.82 -0.20 0.00 -1.03 0.00 0.00 54.13 52.14 1ihz s LEU 25 Cb -0.15 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 1ihz s LEU 25 CO 0.07 -0.09 0.61 -0.32 0.23 0.00 0.00 176.35 176.84 1ihz s MET 26 N -2.67 4.12 -0.09 1.70 -2.45 0.54 -1.04 119.30 119.40 1ihz s MET 26 Ca 0.11 0.52 0.00 0.00 -1.25 0.00 0.00 55.69 55.07 1ihz s MET 26 Cb -0.05 -3.64 0.02 0.00 1.25 0.00 0.00 34.83 32.41 1ihz s MET 26 CO 0.04 -0.37 -0.08 -0.47 1.05 0.00 0.00 175.02 175.19 1ihz s TYR 27 N 2.37 1.36 -1.45 4.11 5.04 -0.28 -1.50 117.35 127.01 1ihz s TYR 27 Ca 0.26 -0.61 -0.03 0.00 -2.44 0.00 0.00 57.07 54.25 1ihz s TYR 27 Cb -0.16 -1.12 0.01 0.00 0.35 0.00 0.00 41.96 41.05 1ihz s TYR 27 CO 0.09 -0.41 0.23 1.63 -1.34 0.00 0.00 175.55 175.74 1ihz n LYS 28 N 4.59 -2.93 -0.97 4.97 4.76 -1.26 -1.68 118.16 125.65 1ihz n LYS 28 Ca -0.16 0.79 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 1ihz n LYS 28 Cb 0.50 -5.50 0.00 0.00 -1.84 0.00 0.00 35.03 28.20 1ihz n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ihz n GLY 29 N -1.11 0.78 3.26 0.72 0.00 -1.26 -5.02 105.19 102.56 1ihz n GLY 29 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 1ihz n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ihz s GLN 30 N -0.03 1.51 0.07 1.61 -2.07 -0.67 -5.10 119.66 114.97 1ihz s GLN 30 Ca 0.00 -0.94 -0.30 0.00 -1.82 0.00 0.00 55.36 52.29 1ihz s GLN 30 Cb 0.00 -1.61 -0.06 0.00 -1.09 0.00 0.00 33.01 30.25 1ihz s GLN 30 CO 0.00 0.42 1.17 -2.14 -1.32 0.00 0.00 175.29 173.42 1ihz s PRO 31 N -1.09 4.46 -0.01 9.60 0.02 -1.26 -1.12 135.00 145.60 1ihz s PRO 31 Ca 0.08 1.74 -0.03 0.00 0.02 0.00 0.00 61.00 62.82 1ihz s PRO 31 Cb -0.09 -3.34 -0.00 0.00 0.02 0.00 0.00 34.50 31.09 1ihz s PRO 31 CO 0.01 -0.20 0.06 -1.64 -0.33 0.00 0.00 177.00 174.90 1ihz s MET 32 N 0.87 0.25 0.03 5.54 -1.94 -0.21 -4.97 119.30 118.88 1ihz s MET 32 Ca 0.57 -0.21 -0.25 0.00 -1.71 0.00 0.00 55.69 54.10 1ihz s MET 32 Cb -0.29 0.10 -0.05 0.00 2.01 0.00 0.00 34.83 36.60 1ihz s MET 32 CO 0.30 -0.05 0.76 0.99 -0.01 0.00 0.00 175.02 177.01 1ihz s THR 33 N -0.71 4.77 0.06 2.05 2.01 -1.26 -0.90 115.64 121.65 1ihz s THR 33 Ca -0.08 1.60 0.09 0.00 0.31 0.00 0.00 61.69 63.62 1ihz s THR 33 Cb -0.05 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 1ihz s THR 33 CO 0.00 0.35 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.67 1ihz s PHE 34 N 0.03 2.25 -0.11 4.92 0.40 0.20 -0.93 117.98 124.74 1ihz s PHE 34 Ca 0.38 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 1ihz s PHE 34 Cb -0.20 -1.33 0.00 0.00 0.51 0.00 0.00 43.02 42.00 1ihz s PHE 34 CO 0.22 0.15 -0.23 0.50 0.70 0.00 0.00 175.22 176.56 1ihz s ARG 35 N -1.34 3.05 0.15 0.44 6.06 -0.06 -1.13 118.95 126.13 1ihz s ARG 35 Ca 0.11 -0.87 -0.30 0.00 -2.50 0.00 0.00 55.73 52.17 1ihz s ARG 35 Cb -0.10 -2.33 -0.08 0.00 0.06 0.00 0.00 34.95 32.50 1ihz s ARG 35 CO 0.03 0.15 1.28 -0.51 -2.50 0.00 0.00 175.30 173.74 1ihz s LEU 36 N 0.43 4.41 0.36 -0.88 1.43 -0.24 -2.95 118.68 121.24 1ihz s LEU 36 Ca -0.17 2.28 -0.28 0.00 -1.03 0.00 0.00 54.13 54.93 1ihz s LEU 36 Cb -0.18 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.35 1ihz s LEU 36 CO 0.07 -0.51 1.29 -0.76 0.23 0.00 0.00 176.35 176.67 1ihz s LEU 37 N 0.34 4.34 0.00 1.79 1.43 -0.59 -4.03 118.68 121.96 1ihz s LEU 37 Ca 0.58 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 56.32 1ihz s LEU 37 Cb -0.34 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.11 1ihz s LEU 37 CO 0.34 -0.64 0.00 0.18 0.23 0.00 0.00 176.35 176.47 1ihz n LEU 38 N 0.53 0.10 -4.12 1.79 4.77 -1.26 -4.92 117.00 113.89 1ihz n LEU 38 Ca 0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 1ihz n LEU 38 Cb 0.43 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 1ihz n LEU 38 CO 0.57 -0.06 -0.41 0.68 -1.33 0.00 0.00 177.39 176.84 1ihz s VAL 39 N -3.35 0.74 -0.14 4.08 -7.23 -1.26 -0.31 120.40 112.93 1ihz s VAL 39 Ca 0.00 -1.32 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1ihz s VAL 39 Cb 0.00 -0.95 0.03 0.00 0.56 0.00 0.00 36.38 36.02 1ihz s VAL 39 CO 0.00 -0.44 -0.09 -0.62 -0.31 0.00 0.00 175.10 173.65 1ihz s ASP 40 N -1.93 2.56 0.34 4.85 2.15 0.08 -4.74 116.67 119.98 1ihz s ASP 40 Ca -0.03 -0.48 -0.07 0.00 0.43 0.00 0.00 52.55 52.39 1ihz s ASP 40 Cb -0.07 -0.96 -0.06 0.00 -0.30 0.00 0.00 42.92 41.53 1ihz s ASP 40 CO 0.00 -0.12 0.64 0.42 -0.17 0.00 0.00 175.17 175.94 1ihz s THR 41 N 1.62 4.92 0.62 1.71 -4.23 -1.26 -1.60 115.64 117.41 1ihz s THR 41 Ca 0.03 0.31 -0.19 0.00 -1.18 0.00 0.00 61.69 60.66 1ihz s THR 41 Cb -0.14 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 69.95 1ihz s THR 41 CO -0.09 -0.40 1.29 -2.84 -0.54 0.00 0.00 174.62 172.04 1ihz s PRO 42 N -3.65 2.75 0.54 3.99 0.02 -1.26 -4.92 135.00 132.47 1ihz s PRO 42 Ca 0.47 2.04 -0.19 0.00 0.02 0.00 0.00 61.00 63.34 1ihz s PRO 42 Cb -0.11 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.42 1ihz s PRO 42 CO 0.30 -1.44 1.10 -1.21 -0.33 0.00 0.00 177.00 175.42 1ihz s GLU 43 N -3.28 3.44 0.00 5.54 0.41 -1.26 -4.44 118.70 119.11 1ihz s GLU 43 Ca 0.80 1.52 0.00 0.00 -0.41 0.00 0.00 54.97 56.87 1ihz s GLU 43 Cb -0.36 -2.03 0.00 0.00 -1.78 0.00 0.00 34.13 29.96 1ihz s GLU 43 CO 0.39 -0.76 0.00 0.25 -0.49 0.00 0.00 175.26 174.66 1ihz n THR 44 N -1.30 0.00 -1.27 3.63 -2.24 -1.26 -0.85 114.28 110.98 1ihz n THR 44 Ca 0.11 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.87 1ihz n THR 44 Cb 0.51 0.59 0.15 0.00 -2.10 0.00 0.00 70.33 69.49 1ihz n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ihz n LYS 45 N -1.33 1.31 -1.68 -0.78 5.02 -1.26 -4.27 118.16 115.17 1ihz n LYS 45 Ca 0.00 -2.73 -0.45 0.00 -2.02 0.00 0.00 58.31 53.11 1ihz n LYS 45 Cb 0.00 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 1ihz n LYS 45 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1ihz n HIS 46 N -1.27 2.41 -0.20 2.13 -0.00 -1.20 -4.83 115.22 112.25 1ihz n HIS 46 Ca 0.16 0.08 -0.01 0.00 0.46 0.00 0.00 57.72 58.41 1ihz n HIS 46 Cb 0.66 -2.63 0.22 0.00 -0.12 0.00 0.00 29.99 28.12 1ihz n HIS 46 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ihz h PRO 47 N 7.46 0.97 0.00 1.57 0.13 -1.97 -3.25 132.00 136.91 1ihz h PRO 47 Ca -0.46 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1ihz h PRO 47 Cb 1.25 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1ihz h PRO 47 CO 0.92 0.71 0.00 1.63 -0.23 0.00 0.00 178.00 181.03 1ihz n LYS 48 N -4.37 0.00 -3.43 0.86 5.02 -1.26 -4.76 118.16 110.22 1ihz n LYS 48 Ca 0.07 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.92 1ihz n LYS 48 Cb 0.09 -0.41 -0.09 0.00 -0.02 0.00 0.00 35.03 34.61 1ihz n LYS 48 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ihz s LYS 49 N -0.16 2.97 0.00 1.97 2.47 -1.24 -5.05 119.74 120.70 1ihz s LYS 49 Ca 0.00 -1.16 0.00 0.00 -1.56 0.00 0.00 55.97 53.25 1ihz s LYS 49 Cb 0.00 -4.04 0.00 0.00 -1.46 0.00 0.00 37.83 32.33 1ihz s LYS 49 CO 0.00 -0.87 0.00 0.41 0.16 0.00 0.00 175.35 175.05 1ihz n GLY 50 N 5.18 0.00 3.85 5.54 0.00 -1.23 -4.11 105.19 114.43 1ihz n GLY 50 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1ihz n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ihz s VAL 51 N 0.00 5.25 0.45 1.61 1.01 -1.26 -3.26 120.40 124.20 1ihz s VAL 51 Ca 0.00 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 1ihz s VAL 51 Cb 0.00 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1ihz s VAL 51 CO 0.00 0.59 0.85 -1.61 0.00 0.00 0.00 175.10 174.93 1ihz s GLU 52 N -1.03 3.82 0.21 2.72 2.02 -0.03 -4.98 118.70 121.44 1ihz s GLU 52 Ca 0.20 0.63 -0.32 0.00 0.02 0.00 0.00 54.97 55.49 1ihz s GLU 52 Cb -0.14 -2.30 -0.14 0.00 0.10 0.00 0.00 34.13 31.65 1ihz s GLU 52 CO 0.09 -0.13 1.39 1.63 0.02 0.00 0.00 175.26 178.26 1ihz n LYS 53 N -1.46 1.88 -0.64 1.61 5.02 -1.26 -0.81 118.16 122.50 1ihz n LYS 53 Ca 0.04 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 1ihz n LYS 53 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1ihz n LYS 53 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ihz n TYR 54 N 2.09 0.00 0.16 2.13 4.01 -1.26 -4.80 117.16 119.49 1ihz n TYR 54 Ca 0.13 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.73 1ihz n TYR 54 Cb 0.29 -0.29 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 1ihz n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ihz h GLY 55 N 0.00 -0.56 1.02 2.72 0.00 -1.18 -0.50 103.07 104.57 1ihz h GLY 55 Ca 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1ihz h GLY 55 CO 0.00 -0.23 0.52 -2.55 0.00 0.00 0.00 176.54 174.27 1ihz h PRO 56 N -0.53 1.20 -0.05 4.80 0.11 -1.85 -1.37 132.00 134.30 1ihz h PRO 56 Ca 0.00 -0.12 0.01 0.00 0.11 0.00 0.00 66.00 66.01 1ihz h PRO 56 Cb 0.51 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1ihz h PRO 56 CO -0.08 0.85 -0.04 0.93 -0.21 0.00 0.00 178.00 179.45 1ihz h GLU 57 N 1.21 -0.04 -0.34 1.05 3.07 -1.92 -0.63 114.58 116.97 1ihz h GLU 57 Ca 0.31 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.21 1ihz h GLU 57 Cb -0.03 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 1ihz h GLU 57 CO -0.06 -0.03 0.15 0.00 -1.40 0.00 0.00 179.01 177.68 1ihz h ALA 58 N 1.00 0.41 -0.41 3.43 0.00 -0.90 0.05 119.26 122.85 1ihz h ALA 58 Ca 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ihz h ALA 58 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ihz h ALA 58 CO -0.08 -0.23 0.08 1.03 0.00 0.00 0.00 179.25 180.06 1ihz h SER 59 N 0.32 0.57 1.08 0.00 0.87 -1.13 -0.18 113.55 115.08 1ihz h SER 59 Ca 0.15 -0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 60.43 1ihz h SER 59 Cb 0.08 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1ihz h SER 59 CO -0.12 0.58 -0.91 0.00 -0.53 0.00 0.00 176.83 175.85 1ihz h ALA 60 N 1.50 0.41 0.10 6.23 0.00 -0.57 -1.71 119.26 125.22 1ihz h ALA 60 Ca 0.14 -0.83 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 1ihz h ALA 60 Cb 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ihz h ALA 60 CO -0.00 1.14 -0.05 0.35 0.00 0.00 0.00 179.25 180.69 1ihz h PHE 61 N 0.00 -0.12 -0.71 0.00 3.04 -0.23 -0.51 116.94 118.41 1ihz h PHE 61 Ca -0.01 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.96 1ihz h PHE 61 Cb 1.70 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 40.20 1ihz h PHE 61 CO 0.00 -0.06 0.46 1.15 -2.02 0.00 0.00 178.31 177.83 1ihz h THR 62 N -0.14 1.13 -0.41 4.41 2.02 -1.02 -1.34 112.91 117.55 1ihz h THR 62 Ca -0.01 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1ihz h THR 62 Cb 0.11 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1ihz h THR 62 CO 0.02 0.17 0.16 0.50 0.37 0.00 0.00 175.52 176.73 1ihz h LYS 63 N 0.91 0.61 -0.31 6.66 3.64 -1.09 -1.77 116.57 125.21 1ihz h LYS 63 Ca 0.28 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1ihz h LYS 63 Cb -0.02 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1ihz h LYS 63 CO -0.09 0.58 0.19 0.87 -2.27 0.00 0.00 179.45 178.73 1ihz h LYS 64 N 0.51 0.42 -0.53 1.90 1.79 -0.95 -0.11 116.57 119.60 1ihz h LYS 64 Ca 0.13 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1ihz h LYS 64 Cb 0.20 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1ihz h LYS 64 CO -0.01 0.32 0.06 1.98 -1.08 0.00 0.00 179.45 180.72 1ihz h MET 65 N 0.41 0.85 0.18 3.15 4.05 -1.04 -2.36 114.93 120.17 1ihz h MET 65 Ca 0.11 -0.21 -0.32 0.00 -0.28 0.00 0.00 59.70 59.01 1ihz h MET 65 Cb -0.00 -0.11 0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1ihz h MET 65 CO -0.02 0.81 -1.50 -0.07 0.23 0.00 0.00 176.91 176.36 1ihz h LEU 66 N 0.81 0.58 -0.94 3.39 3.38 -1.25 -3.17 115.31 118.12 1ihz h LEU 66 Ca 0.16 -0.71 -0.11 0.00 0.09 0.00 0.00 57.88 57.31 1ihz h LEU 66 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ihz h LEU 66 CO 0.01 1.58 -0.40 -0.33 0.09 0.00 0.00 178.44 179.39 1ihz h GLU 67 N 0.10 0.26 -0.31 1.13 5.08 -0.98 -2.71 114.58 117.15 1ihz h GLU 67 Ca -0.25 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1ihz h GLU 67 Cb 2.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1ihz h GLU 67 CO 0.21 0.63 0.00 0.09 -1.00 0.00 0.00 179.01 178.94 1ihz n ASN 68 N -4.03 1.74 -4.84 1.42 3.02 -0.89 -4.95 115.26 106.73 1ihz n ASN 68 Ca -0.01 -1.96 -0.33 0.00 -0.03 0.00 0.00 54.58 52.25 1ihz n ASN 68 Cb 0.48 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.38 1ihz n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ihz s ALA 69 N -1.59 3.27 0.09 5.41 0.00 -1.03 -4.98 121.76 122.93 1ihz s ALA 69 Ca 0.23 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 1ihz s ALA 69 Cb 0.12 -2.86 -0.21 0.00 0.00 0.00 0.00 23.12 20.18 1ihz s ALA 69 CO 0.16 0.29 1.20 0.87 0.00 0.00 0.00 175.76 178.29 1ihz h LYS 70 N 2.27 0.59 -3.74 0.00 1.57 -1.92 -3.46 116.57 111.87 1ihz h LYS 70 Ca -0.48 -0.67 -0.33 0.00 -1.87 0.00 0.00 60.65 57.29 1ihz h LYS 70 Cb 1.18 0.20 -0.33 0.00 0.08 0.00 0.00 32.23 33.36 1ihz h LYS 70 CO 0.64 1.27 -0.74 0.15 -0.57 0.00 0.00 179.45 180.20 1ihz s LYS 71 N -3.21 0.27 -0.08 3.15 1.02 -1.26 -5.02 119.74 114.60 1ihz s LYS 71 Ca -0.08 0.06 -0.00 0.00 0.02 0.00 0.00 55.97 55.96 1ihz s LYS 71 Cb 0.07 -0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 1ihz s LYS 71 CO 0.91 -0.11 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.67 1ihz s LEU 72 N 0.88 3.31 0.02 3.17 1.43 -1.26 -0.55 118.68 125.68 1ihz s LEU 72 Ca -0.09 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1ihz s LEU 72 Cb -0.12 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1ihz s LEU 72 CO -0.02 0.36 -0.09 -1.61 0.23 0.00 0.00 176.35 175.22 1ihz s GLU 73 N -0.76 0.67 0.05 1.70 2.02 -0.38 -2.01 118.70 119.99 1ihz s GLU 73 Ca 0.12 -0.51 0.04 0.00 0.02 0.00 0.00 54.97 54.64 1ihz s GLU 73 Cb -0.11 -0.60 -0.04 0.00 0.10 0.00 0.00 34.13 33.48 1ihz s GLU 73 CO 0.02 0.15 -0.00 0.14 0.02 0.00 0.00 175.26 175.59 1ihz s VAL 74 N -0.63 4.06 -0.22 2.63 -7.23 0.11 -0.26 120.40 118.86 1ihz s VAL 74 Ca -0.00 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 59.31 1ihz s VAL 74 Cb -0.06 -2.88 0.06 0.00 0.56 0.00 0.00 36.38 34.06 1ihz s VAL 74 CO 0.00 0.22 0.02 -0.70 -0.31 0.00 0.00 175.10 174.33 1ihz s GLU 75 N -2.01 0.92 0.58 4.82 2.12 -0.33 -0.78 118.70 124.03 1ihz s GLU 75 Ca 0.23 -0.63 -0.16 0.00 0.36 0.00 0.00 54.97 54.77 1ihz s GLU 75 Cb -0.12 -2.23 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 1ihz s GLU 75 CO 0.15 -0.66 1.04 -0.06 -0.54 0.00 0.00 175.26 175.19 1ihz s PHE 76 N 1.71 3.09 0.00 5.30 0.08 -1.26 -0.40 117.98 126.49 1ihz s PHE 76 Ca -0.01 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.53 1ihz s PHE 76 Cb -0.18 -2.96 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 1ihz s PHE 76 CO -0.09 -0.97 0.00 -3.47 -0.10 0.00 0.00 175.22 170.59 1ihz n ASP 77 N -1.98 0.00 -0.62 1.36 -0.08 -1.26 -4.65 116.55 109.31 1ihz n ASP 77 Ca 0.08 -0.54 0.13 0.00 -1.51 0.00 0.00 54.79 52.96 1ihz n ASP 77 Cb 0.53 0.00 0.37 0.00 2.34 0.00 0.00 41.12 44.36 1ihz n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1ihz n LYS 78 N -0.54 1.82 0.00 -0.67 5.02 -1.26 -4.90 118.16 117.63 1ihz n LYS 78 Ca 0.00 -1.25 0.00 0.00 -2.02 0.00 0.00 58.31 55.04 1ihz n LYS 78 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 1ihz n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ihz n GLY 79 N 1.25 2.86 3.74 0.72 0.00 -1.26 -4.98 105.19 107.52 1ihz n GLY 79 Ca 0.17 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1ihz n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ihz n GLN 80 N 0.00 2.52 0.00 1.61 6.02 -1.26 -4.91 117.38 121.36 1ihz n GLN 80 Ca 0.00 0.89 0.09 0.00 -0.01 0.00 0.00 57.00 57.97 1ihz n GLN 80 Cb 0.00 -2.60 -0.10 0.00 1.02 0.00 0.00 30.24 28.56 1ihz n GLN 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ihz n ARG 81 N 1.02 0.65 -4.17 -1.09 5.12 -1.26 -4.82 116.66 112.11 1ihz n ARG 81 Ca 0.05 -0.04 -0.16 0.00 -1.93 0.00 0.00 57.85 55.76 1ihz n ARG 81 Cb 0.37 -1.41 -0.11 0.00 -1.16 0.00 0.00 32.46 30.15 1ihz n ARG 81 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1ihz s THR 82 N -2.80 0.98 0.25 0.55 -4.23 -1.26 -0.46 115.64 108.67 1ihz s THR 82 Ca 0.08 -1.48 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1ihz s THR 82 Cb 0.15 -1.20 0.04 0.00 1.34 0.00 0.00 72.50 72.83 1ihz s THR 82 CO 0.78 -0.43 0.35 -0.90 -0.54 0.00 0.00 174.62 173.88 1ihz n ASP 83 N 0.88 0.82 0.10 3.99 5.68 0.06 -4.89 116.55 123.18 1ihz n ASP 83 Ca -0.18 -1.61 0.11 0.00 -0.50 0.00 0.00 54.79 52.61 1ihz n ASP 83 Cb 0.56 -0.19 0.45 0.00 -1.14 0.00 0.00 41.12 40.80 1ihz n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1ihz n LYS 84 N -1.57 0.15 -0.22 0.11 2.85 -1.26 -0.83 118.16 117.40 1ihz n LYS 84 Ca 0.07 0.38 0.11 0.00 -1.05 0.00 0.00 58.31 57.82 1ihz n LYS 84 Cb 0.25 -1.78 0.26 0.00 -0.65 0.00 0.00 35.03 33.11 1ihz n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ihz n TYR 85 N -2.06 0.57 -0.95 5.58 4.01 -1.26 -4.93 117.16 118.12 1ihz n TYR 85 Ca 0.02 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1ihz n TYR 85 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1ihz n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ihz n GLY 86 N 1.44 0.47 3.83 2.72 0.00 -0.01 -5.04 105.19 108.61 1ihz n GLY 86 Ca 0.19 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1ihz n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ihz s ARG 87 N -0.96 4.08 0.36 1.61 0.52 -1.26 -4.74 118.95 118.56 1ihz s ARG 87 Ca 0.00 0.61 -0.27 0.00 -0.52 0.00 0.00 55.73 55.54 1ihz s ARG 87 Cb 0.00 -3.05 -0.09 0.00 0.52 0.00 0.00 34.95 32.32 1ihz s ARG 87 CO 0.00 0.54 1.25 0.20 0.02 0.00 0.00 175.30 177.32 1ihz s GLY 88 N -1.46 2.96 -0.32 -3.53 0.00 -0.11 -0.76 107.32 104.10 1ihz s GLY 88 Ca 0.34 1.15 -0.06 0.00 0.00 0.00 0.00 44.72 46.16 1ihz s GLY 88 CO 0.19 1.75 0.08 1.08 0.00 0.00 0.00 173.10 176.20 1ihz s LEU 89 N -2.07 4.12 0.20 0.66 1.43 0.40 -0.88 118.68 122.53 1ihz s LEU 89 Ca 0.52 -1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 1ihz s LEU 89 Cb -0.37 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.03 1ihz s LEU 89 CO 0.48 -0.28 0.48 0.00 0.23 0.00 0.00 176.35 177.25 1ihz s ALA 90 N 1.39 -0.64 -0.01 4.21 0.00 -1.15 -4.36 121.76 121.20 1ihz s ALA 90 Ca -0.01 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 1ihz s ALA 90 Cb -0.19 0.89 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 1ihz s ALA 90 CO 0.02 -0.80 0.42 0.71 0.00 0.00 0.00 175.76 176.11 1ihz s TYR 91 N -3.92 3.72 -0.08 0.00 2.02 0.46 -1.55 117.35 118.00 1ihz s TYR 91 Ca 0.13 1.00 0.03 0.00 -0.37 0.00 0.00 57.07 57.86 1ihz s TYR 91 Cb -0.00 -2.32 -0.02 0.00 -0.40 0.00 0.00 41.96 39.22 1ihz s TYR 91 CO 0.01 0.60 -0.16 -1.17 -1.57 0.00 0.00 175.55 173.26 1ihz s LEU 92 N -0.94 2.57 -0.11 -1.29 2.96 -1.26 -1.18 118.68 119.43 1ihz s LEU 92 Ca 0.24 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1ihz s LEU 92 Cb -0.17 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 1ihz s LEU 92 CO 0.13 0.25 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.93 1ihz s TYR 93 N -0.17 2.70 -0.26 5.38 1.51 0.63 -0.02 117.35 127.12 1ihz s TYR 93 Ca -0.01 -0.73 -0.02 0.00 -1.01 0.00 0.00 57.07 55.29 1ihz s TYR 93 Cb -0.13 -1.77 0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1ihz s TYR 93 CO 0.03 -0.24 -0.04 0.00 -1.11 0.00 0.00 175.55 174.19 1ihz s ALA 94 N 0.22 2.75 -1.47 3.71 0.00 -0.16 -1.24 121.76 125.56 1ihz s ALA 94 Ca -0.11 -1.50 -0.06 0.00 0.00 0.00 0.00 51.96 50.30 1ihz s ALA 94 Cb -0.16 -1.77 0.04 0.00 0.00 0.00 0.00 23.12 21.24 1ihz s ALA 94 CO 0.06 -0.88 0.61 -0.25 0.00 0.00 0.00 175.76 175.31 1ihz n ASP 95 N 4.68 -1.67 0.00 0.00 8.00 0.29 -1.39 116.55 126.46 1ihz n ASP 95 Ca -0.16 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.39 1ihz n ASP 95 Cb 0.47 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.31 1ihz n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ihz n GLY 96 N -1.77 2.18 3.57 0.44 0.00 -1.26 -5.01 105.19 103.34 1ihz n GLY 96 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1ihz n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ihz s LYS 97 N -0.03 3.86 -0.09 1.61 3.01 -0.49 -5.04 119.74 122.58 1ihz s LYS 97 Ca 0.00 -0.40 -0.30 0.00 -1.01 0.00 0.00 55.97 54.26 1ihz s LYS 97 Cb 0.00 -3.20 -0.04 0.00 -1.01 0.00 0.00 37.83 33.59 1ihz s LYS 97 CO 0.00 0.17 1.44 1.41 0.51 0.00 0.00 175.35 178.88 1ihz s MET 98 N 0.65 4.22 0.21 1.68 1.75 -1.26 -0.99 119.30 125.57 1ihz s MET 98 Ca 0.02 1.92 -0.09 0.00 -1.25 0.00 0.00 55.69 56.30 1ihz s MET 98 Cb -0.13 -3.81 0.17 0.00 2.84 0.00 0.00 34.83 33.89 1ihz s MET 98 CO 0.02 -0.73 1.84 1.25 -0.65 0.00 0.00 175.02 176.75 1ihz h LEU 99 N 9.63 0.97 -1.06 4.11 5.85 -0.81 -1.46 115.31 132.55 1ihz h LEU 99 Ca -0.34 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.32 1ihz h LEU 99 Cb 1.15 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1ihz h LEU 99 CO 0.95 0.77 0.63 0.78 -0.34 0.00 0.00 178.44 181.23 1ihz h ASN 100 N 1.09 1.08 -0.31 1.25 4.21 -1.91 -2.12 115.58 118.88 1ihz h ASN 100 Ca 0.28 -0.02 -0.13 0.00 1.21 0.00 0.00 56.30 57.64 1ihz h ASN 100 Cb -0.00 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 36.93 1ihz h ASN 100 CO -0.05 0.77 -0.33 -0.08 -1.29 0.00 0.00 177.43 176.45 1ihz h GLU 101 N 1.27 0.76 -0.83 0.81 4.22 -1.87 -3.00 114.58 115.94 1ihz h GLU 101 Ca 0.36 -0.41 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 1ihz h GLU 101 Cb -0.10 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1ihz h GLU 101 CO -0.09 1.04 0.51 0.00 -2.18 0.00 0.00 179.01 178.29 1ihz h ALA 102 N 0.72 1.33 -0.27 2.92 0.00 -0.79 0.30 119.26 123.47 1ihz h ALA 102 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ihz h ALA 102 Cb 0.90 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ihz h ALA 102 CO 0.08 0.58 0.12 -0.07 0.00 0.00 0.00 179.25 179.96 1ihz h LEU 103 N 1.15 0.36 -0.28 0.00 3.38 -1.41 -2.11 115.31 116.40 1ihz h LEU 103 Ca 0.30 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1ihz h LEU 103 Cb -0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1ihz h LEU 103 CO -0.06 0.41 0.02 0.58 0.09 0.00 0.00 178.44 179.48 1ihz h VAL 104 N 0.29 1.25 -0.18 1.22 2.07 -1.25 -0.94 116.25 118.71 1ihz h VAL 104 Ca 0.09 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.78 1ihz h VAL 104 Cb 0.16 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1ihz h VAL 104 CO -0.01 0.28 0.13 -0.09 0.02 0.00 0.00 177.57 177.90 1ihz h ARG 105 N 0.29 0.01 -0.21 1.57 9.65 -0.33 -1.87 114.38 123.48 1ihz h ARG 105 Ca 0.08 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1ihz h ARG 105 Cb 0.40 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1ihz h ARG 105 CO 0.01 0.00 0.00 1.04 2.80 0.00 0.00 179.97 183.83 1ihz n GLN 106 N -4.49 1.80 -1.34 0.20 1.13 -0.80 -4.46 117.38 109.43 1ihz n GLN 106 Ca 0.01 -1.21 -0.05 0.00 -1.94 0.00 0.00 57.00 53.81 1ihz n GLN 106 Cb 0.26 -1.39 -0.02 0.00 0.11 0.00 0.00 30.24 29.20 1ihz n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ihz n GLY 107 N 1.15 0.63 0.73 1.08 0.00 -0.70 -4.46 105.19 103.62 1ihz n GLY 107 Ca 0.16 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.44 1ihz n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ihz n LEU 108 N -0.58 2.74 -3.61 0.99 4.77 -0.39 -1.97 117.00 118.95 1ihz n LEU 108 Ca -0.05 -1.48 -0.16 0.00 -0.03 0.00 0.00 56.01 54.29 1ihz n LEU 108 Cb 0.24 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1ihz n LEU 108 CO 0.07 0.60 0.27 0.00 -1.33 0.00 0.00 177.39 177.01 1ihz s ALA 109 N -1.13 -1.36 0.29 -1.18 0.00 -1.21 -4.32 121.76 112.85 1ihz s ALA 109 Ca 0.24 0.84 0.10 0.00 0.00 0.00 0.00 51.96 53.13 1ihz s ALA 109 Cb 0.14 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 1ihz s ALA 109 CO 0.20 -0.37 -0.00 -1.59 0.00 0.00 0.00 175.76 174.00 1ihz s LYS 110 N -1.55 2.20 0.08 0.00 -2.85 -0.63 -4.49 119.74 112.50 1ihz s LYS 110 Ca -0.10 -1.54 -0.31 0.00 -1.00 0.00 0.00 55.97 53.02 1ihz s LYS 110 Cb -0.02 -2.07 -0.07 0.00 -2.06 0.00 0.00 37.83 33.61 1ihz s LYS 110 CO 0.05 0.28 1.37 0.08 0.10 0.00 0.00 175.35 177.23 1ihz s VAL 111 N -2.40 3.50 1.08 1.79 1.01 -1.26 -0.74 120.40 123.39 1ihz s VAL 111 Ca 0.33 1.04 -0.13 0.00 0.00 0.00 0.00 61.98 63.22 1ihz s VAL 111 Cb -0.05 -3.67 0.24 0.00 0.00 0.00 0.00 36.38 32.90 1ihz s VAL 111 CO 0.20 0.06 1.06 0.00 0.00 0.00 0.00 175.10 176.42 1ihz s ALA 112 N 1.39 0.29 0.10 5.51 0.00 0.58 -4.84 121.76 124.78 1ihz s ALA 112 Ca 0.64 -0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.97 1ihz s ALA 112 Cb -0.35 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 1ihz s ALA 112 CO 0.29 -3.32 1.33 0.71 0.00 0.00 0.00 175.76 174.77 1ihz s TYR 113 N -2.77 3.31 -0.06 0.00 1.51 -1.26 -4.92 117.35 113.15 1ihz s TYR 113 Ca 0.67 1.07 -0.04 0.00 -1.01 0.00 0.00 57.07 57.75 1ihz s TYR 113 Cb -0.21 -3.60 -0.04 0.00 -0.11 0.00 0.00 41.96 38.00 1ihz s TYR 113 CO 0.60 -2.02 0.14 0.08 -1.11 0.00 0.00 175.55 173.25 1ihz s VAL 114 N 1.09 5.33 -0.30 0.71 1.01 -1.26 -4.91 120.40 122.07 1ihz s VAL 114 Ca 0.63 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1ihz s VAL 114 Cb -0.34 -3.40 0.09 0.00 0.00 0.00 0.00 36.38 32.73 1ihz s VAL 114 CO 0.30 0.47 0.05 -0.31 0.00 0.00 0.00 175.10 175.61 1ihz s TYR 115 N -1.16 2.48 0.48 5.22 2.02 -1.26 -5.08 117.35 120.04 1ihz s TYR 115 Ca 0.21 -2.10 -0.23 0.00 -0.37 0.00 0.00 57.07 54.57 1ihz s TYR 115 Cb -0.12 -2.04 -0.08 0.00 -0.40 0.00 0.00 41.96 39.32 1ihz s TYR 115 CO 0.11 -0.87 1.17 1.63 -1.57 0.00 0.00 175.55 176.02 1ihz n LYS 116 N 4.63 1.58 -0.40 -0.62 4.76 -1.26 0.20 118.16 127.05 1ihz n LYS 116 Ca -0.03 0.57 0.04 0.00 -2.87 0.00 0.00 58.31 56.03 1ihz n LYS 116 Cb 0.43 -2.30 0.20 0.00 -1.84 0.00 0.00 35.03 31.51 1ihz n LYS 116 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1ihz n PRO 117 N -0.31 2.75 -2.07 1.97 -0.04 -1.26 -4.98 135.00 131.06 1ihz n PRO 117 Ca 0.09 -1.58 -0.42 0.00 -0.04 0.00 0.00 63.50 61.56 1ihz n PRO 117 Cb 0.42 -1.75 -0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1ihz n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ihz n ASN 118 N 0.40 5.76 -1.09 3.54 3.02 0.13 -4.39 115.26 122.64 1ihz n ASN 118 Ca 0.14 -3.03 0.01 0.00 -0.03 0.00 0.00 54.58 51.67 1ihz n ASN 118 Cb 0.64 -1.49 -0.00 0.00 -0.61 0.00 0.00 39.78 38.32 1ihz n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ihz n ASN 119 N 3.80 0.32 -0.17 6.41 6.94 -1.26 -4.38 115.26 126.92 1ihz n ASN 119 Ca 0.50 -1.92 -0.05 0.00 -0.02 0.00 0.00 54.58 53.09 1ihz n ASN 119 Cb 0.33 -0.14 0.04 0.00 -2.36 0.00 0.00 39.78 37.65 1ihz n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1ihz h THR 120 N 6.47 1.01 -0.34 5.53 2.02 -1.98 -2.10 112.91 123.52 1ihz h THR 120 Ca -0.22 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1ihz h THR 120 Cb 1.62 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1ihz h THR 120 CO -0.00 0.10 0.00 1.41 0.37 0.00 0.00 175.52 177.40 1ihz n HIS 121 N -4.84 1.22 -0.32 3.16 8.25 -1.26 -4.59 115.22 116.83 1ihz n HIS 121 Ca 0.04 -0.42 -0.01 0.00 -0.26 0.00 0.00 57.72 57.06 1ihz n HIS 121 Cb 0.10 -0.34 0.15 0.00 1.12 0.00 0.00 29.99 31.03 1ihz n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1ihz h GLU 122 N 2.36 1.22 -0.17 -0.41 4.81 -1.77 -2.06 114.58 118.56 1ihz h GLU 122 Ca 0.00 -0.08 -0.22 0.00 -0.13 0.00 0.00 59.36 58.93 1ihz h GLU 122 Cb 1.36 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 30.47 1ihz h GLU 122 CO 0.28 0.82 -0.74 1.96 -0.73 0.00 0.00 179.01 180.60 1ihz h GLN 123 N 1.25 0.80 -0.53 1.92 1.08 -1.83 -0.52 115.11 117.28 1ihz h GLN 123 Ca 0.34 -0.63 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 1ihz h GLN 123 Cb -0.13 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1ihz h GLN 123 CO -0.07 1.24 0.30 1.25 -0.95 0.00 0.00 178.83 180.60 1ihz h HIS 124 N 0.55 0.71 -0.12 2.96 2.76 -1.87 -1.06 115.15 119.08 1ihz h HIS 124 Ca -0.04 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.00 1ihz h HIS 124 Cb 1.37 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 1ihz h HIS 124 CO 0.08 0.51 -0.45 -0.07 -1.30 0.00 0.00 177.93 176.71 1ihz h LEU 125 N 0.70 0.31 -0.71 0.26 3.38 -1.26 -2.01 115.31 115.98 1ihz h LEU 125 Ca 0.19 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1ihz h LEU 125 Cb 0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1ihz h LEU 125 CO -0.03 0.72 -0.62 0.03 0.09 0.00 0.00 178.44 178.63 1ihz h ARG 126 N 0.24 0.10 -0.58 1.13 3.08 -0.67 -0.95 114.38 116.72 1ihz h ARG 126 Ca 0.02 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ihz h ARG 126 Cb 0.89 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.92 1ihz h ARG 126 CO 0.07 0.69 0.35 0.87 -1.07 0.00 0.00 179.97 180.88 1ihz h LYS 127 N 0.07 0.79 -0.10 0.04 1.57 -0.92 -1.12 116.57 116.91 1ihz h LYS 127 Ca -0.01 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 1ihz h LYS 127 Cb 1.11 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1ihz h LYS 127 CO 0.09 0.57 -0.50 0.77 -0.57 0.00 0.00 179.45 179.81 1ihz h SER 128 N 0.79 0.29 -0.44 0.86 0.02 -1.15 -2.66 113.55 111.26 1ihz h SER 128 Ca 0.21 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1ihz h SER 128 Cb -0.02 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1ihz h SER 128 CO -0.04 0.74 -0.07 -0.08 -1.14 0.00 0.00 176.83 176.24 1ihz h GLU 129 N 0.21 0.82 -0.44 3.45 4.81 -0.86 -1.23 114.58 121.34 1ihz h GLU 129 Ca 0.01 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1ihz h GLU 129 Cb 0.96 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1ihz h GLU 129 CO 0.08 0.92 0.16 0.00 -0.73 0.00 0.00 179.01 179.43 1ihz h ALA 130 N 0.87 1.45 -0.13 2.92 0.00 -1.12 -0.44 119.26 122.81 1ihz h ALA 130 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ihz h ALA 130 Cb 0.60 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ihz h ALA 130 CO 0.04 0.41 -0.04 0.37 0.00 0.00 0.00 179.25 180.03 1ihz h GLN 131 N 0.63 0.26 -0.56 0.00 5.75 -1.30 -1.27 115.11 118.63 1ihz h GLN 131 Ca 0.15 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1ihz h GLN 131 Cb 0.16 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 1ihz h GLN 131 CO -0.01 0.57 0.37 0.00 -2.65 0.00 0.00 178.83 177.11 1ihz h ALA 132 N 0.68 1.63 -0.19 3.38 0.00 -0.77 -0.87 119.26 123.12 1ihz h ALA 132 Ca 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1ihz h ALA 132 Cb 0.48 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ihz h ALA 132 CO 0.02 0.34 -0.25 0.87 0.00 0.00 0.00 179.25 180.23 1ihz h LYS 133 N 0.73 0.51 -0.40 0.00 1.57 -0.98 -1.61 116.57 116.39 1ihz h LYS 133 Ca 0.21 -0.29 0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1ihz h LYS 133 Cb -0.05 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1ihz h LYS 133 CO -0.05 0.88 0.29 -0.22 -0.57 0.00 0.00 179.45 179.78 1ihz h LYS 134 N 0.17 0.03 -0.09 3.15 3.64 -0.67 -0.83 116.57 121.97 1ihz h LYS 134 Ca 0.02 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ihz h LYS 134 Cb 0.81 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1ihz h LYS 134 CO 0.06 0.02 0.00 0.39 -2.27 0.00 0.00 179.45 177.65 1ihz n GLU 135 N -4.43 2.23 -3.70 1.90 1.02 -0.38 -4.96 120.64 112.31 1ihz n GLU 135 Ca 0.07 -1.80 -0.24 0.00 -0.02 0.00 0.00 57.16 55.17 1ihz n GLU 135 Cb 0.46 -1.47 0.05 0.00 -0.02 0.00 0.00 31.44 30.46 1ihz n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ihz n LYS 136 N 1.14 -6.01 -3.20 3.49 5.02 -0.32 -4.95 118.16 113.34 1ihz n LYS 136 Ca 0.16 0.69 -0.39 0.00 -2.02 0.00 0.00 58.31 56.75 1ihz n LYS 136 Cb 0.55 -5.53 -0.05 0.00 -0.02 0.00 0.00 35.03 29.98 1ihz n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ihz s LEU 137 N -6.95 4.36 0.00 -0.35 1.43 -0.89 -3.78 118.68 112.51 1ihz s LEU 137 Ca 0.33 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1ihz s LEU 137 Cb -0.16 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.16 1ihz s LEU 137 CO 0.79 0.03 0.00 0.59 0.23 0.00 0.00 176.35 177.99 1ihz n ASN 138 N 3.19 0.00 0.29 2.29 3.02 -1.26 -1.18 115.26 121.60 1ihz n ASN 138 Ca -0.06 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.67 1ihz n ASN 138 Cb 0.51 0.00 0.96 0.00 -0.61 0.00 0.00 39.78 40.65 1ihz n ASN 138 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 1ihz h ILE 139 N 0.00 0.37 -0.22 2.41 3.07 -1.71 0.27 117.51 121.70 1ihz h ILE 139 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1ihz h ILE 139 Cb 0.00 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 37.50 1ihz h ILE 139 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 1ihz n TRP 140 N -3.62 0.35 1.41 0.16 7.02 -0.33 -5.15 117.44 117.30 1ihz n TRP 140 Ca -0.02 -0.16 0.14 0.00 -1.02 0.00 0.00 57.50 56.44 1ihz n TRP 140 Cb 0.15 -0.04 0.45 0.00 -2.42 0.00 0.00 31.31 29.45 1ihz n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54