#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2az3 n GLU 6 N 0.00 0.58 -4.13 -1.24 2.13 -1.26 -4.71 120.64 112.01 2az3 n GLU 6 Ca 0.00 0.23 -0.16 0.00 0.66 0.00 0.00 57.16 57.89 2az3 n GLU 6 Cb 0.00 -1.82 -0.12 0.00 0.27 0.00 0.00 31.44 29.77 2az3 n GLU 6 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2az3 s ARG 7 N -2.29 0.67 -0.05 5.31 0.52 -1.26 -1.92 118.95 119.93 2az3 s ARG 7 Ca 0.71 -0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 55.07 2az3 s ARG 7 Cb -0.43 -0.56 0.02 0.00 0.52 0.00 0.00 34.95 34.50 2az3 s ARG 7 CO 0.52 0.12 0.14 -0.08 0.02 0.00 0.00 175.30 176.02 2az3 s THR 8 N -1.23 -0.01 -0.17 0.02 -1.32 0.10 -4.69 115.64 108.35 2az3 s THR 8 Ca -0.05 0.03 -0.23 0.00 -1.21 0.00 0.00 61.69 60.23 2az3 s THR 8 Cb -0.09 -0.20 -0.02 0.00 -1.51 0.00 0.00 72.50 70.67 2az3 s THR 8 CO 0.01 0.01 0.71 0.12 -2.21 0.00 0.00 174.62 173.26 2az3 s PHE 9 N 0.27 3.42 -0.02 9.09 5.36 -1.26 -0.49 117.98 134.36 2az3 s PHE 9 Ca -0.02 1.09 0.02 0.00 -0.96 0.00 0.00 56.93 57.06 2az3 s PHE 9 Cb -0.03 -2.87 0.00 0.00 -0.34 0.00 0.00 43.02 39.78 2az3 s PHE 9 CO -0.01 -0.15 -0.08 0.08 -1.46 0.00 0.00 175.22 173.60 2az3 s VAL 10 N 1.81 0.65 0.01 3.12 1.01 -0.14 -1.66 120.40 125.19 2az3 s VAL 10 Ca 0.33 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2az3 s VAL 10 Cb -0.16 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 2az3 s VAL 10 CO 0.12 0.20 -0.03 0.00 0.00 0.00 0.00 175.10 175.39 2az3 s MET 11 N 0.13 0.27 -0.09 2.72 0.00 -0.24 0.18 119.30 122.27 2az3 s MET 11 Ca -0.02 -0.31 -0.22 0.00 0.00 0.00 0.00 55.69 55.15 2az3 s MET 11 Cb -0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 34.83 34.58 2az3 s MET 11 CO 0.00 0.03 0.63 0.08 0.00 0.00 0.00 175.02 175.76 2az3 s VAL 12 N -0.57 5.09 0.72 5.16 1.01 -0.86 -0.69 120.40 130.26 2az3 s VAL 12 Ca -0.04 1.28 -0.10 0.00 0.00 0.00 0.00 61.98 63.11 2az3 s VAL 12 Cb -0.04 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.42 2az3 s VAL 12 CO -0.00 0.27 1.08 -0.54 0.00 0.00 0.00 175.10 175.90 2az3 s LYS 13 N 0.80 2.41 0.35 2.72 1.02 0.70 -2.02 119.74 125.72 2az3 s LYS 13 Ca 0.33 0.11 0.16 0.00 0.02 0.00 0.00 55.97 56.60 2az3 s LYS 13 Cb -0.17 -2.07 1.10 0.00 -0.52 0.00 0.00 37.83 36.18 2az3 s LYS 13 CO 0.15 -1.22 1.67 -1.35 -0.92 0.00 0.00 175.35 173.68 2az3 h PRO 14 N -0.71 0.32 -0.52 -1.68 0.11 -1.82 -0.05 132.00 127.66 2az3 h PRO 14 Ca -0.45 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 2az3 h PRO 14 Cb 1.29 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2az3 h PRO 14 CO 0.63 0.21 -0.16 0.38 -0.21 0.00 0.00 178.00 178.85 2az3 h ASP 15 N 0.33 1.04 -0.71 -2.05 2.03 -1.88 0.37 116.42 115.55 2az3 h ASP 15 Ca 0.72 -0.37 0.04 0.00 -0.73 0.00 0.00 57.03 56.69 2az3 h ASP 15 Cb 1.70 -0.29 -0.05 0.00 -0.83 0.00 0.00 39.33 39.87 2az3 h ASP 15 CO -0.55 1.18 0.44 1.23 -1.03 0.00 0.00 179.24 180.51 2az3 h GLY 16 N 0.90 1.04 0.88 7.15 0.00 -1.19 -1.72 103.07 110.12 2az3 h GLY 16 Ca 0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 2az3 h GLY 16 CO 0.06 0.26 0.04 -2.08 0.00 0.00 0.00 176.54 174.82 2az3 h VAL 17 N 0.85 1.24 -0.49 4.60 2.07 -1.16 -1.71 116.25 121.64 2az3 h VAL 17 Ca 0.29 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 2az3 h VAL 17 Cb 0.06 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2az3 h VAL 17 CO -0.13 0.27 -0.07 -0.61 0.02 0.00 0.00 177.57 177.05 2az3 h GLN 18 N 0.29 0.87 -0.09 1.57 5.75 -0.77 -2.84 115.11 119.88 2az3 h GLN 18 Ca 0.08 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 2az3 h GLN 18 Cb 0.36 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2az3 h GLN 18 CO 0.01 0.91 0.00 0.54 -2.65 0.00 0.00 178.83 177.64 2az3 n ARG 19 N -4.17 1.48 -1.92 1.69 1.74 -0.66 -4.93 116.66 109.90 2az3 n ARG 19 Ca 0.02 -0.72 -0.01 0.00 -0.77 0.00 0.00 57.85 56.37 2az3 n ARG 19 Cb 0.35 -1.39 -0.00 0.00 -1.02 0.00 0.00 32.46 30.40 2az3 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2az3 n GLY 20 N 1.04 0.36 1.15 -0.13 0.00 -0.99 -4.98 105.19 101.64 2az3 n GLY 20 Ca 0.17 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.42 2az3 n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2az3 n LEU 21 N -0.07 3.44 -0.23 0.99 4.77 -0.68 -4.54 117.00 120.68 2az3 n LEU 21 Ca -0.01 -1.48 -0.01 0.00 -0.03 0.00 0.00 56.01 54.48 2az3 n LEU 21 Cb 0.46 -0.25 0.10 0.00 -2.33 0.00 0.00 43.42 41.40 2az3 n LEU 21 CO 0.01 0.74 1.08 0.40 -1.33 0.00 0.00 177.39 178.29 2az3 h ILE 22 N 4.45 0.95 0.16 -0.08 2.04 -1.88 -1.93 117.51 121.21 2az3 h ILE 22 Ca 0.00 -0.23 -0.31 0.00 1.00 0.00 0.00 64.86 65.33 2az3 h ILE 22 Cb 0.98 0.23 0.03 0.00 -0.74 0.00 0.00 36.82 37.32 2az3 h ILE 22 CO 0.00 0.12 -1.31 1.23 0.00 0.00 0.00 178.15 178.19 2az3 h GLY 23 N 0.67 0.63 0.40 5.37 0.00 -1.96 -1.24 103.07 106.93 2az3 h GLY 23 Ca 0.30 -1.41 0.15 0.00 0.00 0.00 0.00 47.33 46.37 2az3 h GLY 23 CO -0.19 1.24 0.61 -0.55 0.00 0.00 0.00 176.54 177.65 2az3 h ASP 24 N 0.22 0.80 0.17 0.19 3.32 -1.75 -1.22 116.42 118.15 2az3 h ASP 24 Ca -0.20 0.06 -0.31 0.00 0.02 0.00 0.00 57.03 56.60 2az3 h ASP 24 Cb 1.99 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 41.45 2az3 h ASP 24 CO 0.24 0.39 -1.50 0.40 -1.72 0.00 0.00 179.24 177.05 2az3 h ILE 25 N 0.84 1.09 -1.00 0.35 2.04 -1.24 -2.10 117.51 117.48 2az3 h ILE 25 Ca 0.50 -2.51 0.04 0.00 1.00 0.00 0.00 64.86 63.89 2az3 h ILE 25 Cb 0.68 2.85 -0.06 0.00 -0.74 0.00 0.00 36.82 39.55 2az3 h ILE 25 CO -0.27 0.79 0.66 0.58 0.00 0.00 0.00 178.15 179.90 2az3 h VAL 26 N -0.07 1.17 -0.63 1.67 2.07 -1.14 -2.55 116.25 116.77 2az3 h VAL 26 Ca -0.29 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 2az3 h VAL 26 Cb 1.96 -0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2az3 h VAL 26 CO 0.16 0.23 0.18 0.74 0.02 0.00 0.00 177.57 178.90 2az3 h THR 27 N 1.27 1.24 0.00 2.57 2.02 -1.16 -1.32 112.91 117.52 2az3 h THR 27 Ca 0.40 -0.84 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 2az3 h THR 27 Cb 0.01 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2az3 h THR 27 CO -0.13 0.32 -0.18 0.08 0.37 0.00 0.00 175.52 175.99 2az3 h ARG 28 N 0.93 0.00 0.04 6.66 -0.00 -0.97 -1.08 114.38 119.95 2az3 h ARG 28 Ca 0.20 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.99 2az3 h ARG 28 Cb 0.29 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.27 2az3 h ARG 28 CO -0.01 0.18 -0.77 -0.07 -0.00 0.00 0.00 179.97 179.30 2az3 h LEU 29 N 0.00 0.62 -0.88 0.08 3.38 -1.16 -2.96 115.31 114.38 2az3 h LEU 29 Ca -0.00 -0.80 -0.11 0.00 0.09 0.00 0.00 57.88 57.06 2az3 h LEU 29 Cb 0.65 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2az3 h LEU 29 CO 0.02 1.34 -0.34 -0.33 0.09 0.00 0.00 178.44 179.22 2az3 h GLU 30 N -0.03 0.41 -0.20 1.13 5.08 -1.27 -2.80 114.58 116.91 2az3 h GLU 30 Ca -0.11 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 57.94 2az3 h GLU 30 Cb 1.49 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2az3 h GLU 30 CO 0.15 0.71 -0.44 1.15 -1.00 0.00 0.00 179.01 179.57 2az3 h THR 31 N 0.35 1.31 0.00 1.13 2.02 -1.28 -2.84 112.91 113.61 2az3 h THR 31 Ca 0.04 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.59 2az3 h THR 31 Cb 0.77 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 2az3 h THR 31 CO 0.06 0.50 0.00 1.17 0.37 0.00 0.00 175.52 177.63 2az3 n LYS 32 N -4.01 0.14 0.00 6.66 3.00 -1.12 -4.86 118.16 117.98 2az3 n LYS 32 Ca -0.02 0.51 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 2az3 n LYS 32 Cb 0.53 -1.84 0.00 0.00 0.00 0.00 0.00 35.03 33.72 2az3 n LYS 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2az3 n GLY 33 N -0.68 0.33 3.73 3.14 0.00 -1.07 -5.09 105.19 105.55 2az3 n GLY 33 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2az3 n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2az3 s LEU 34 N 0.00 2.98 -0.20 0.99 1.43 -1.07 -4.96 118.68 117.85 2az3 s LEU 34 Ca 0.00 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 2az3 s LEU 34 Cb 0.00 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.70 2az3 s LEU 34 CO 0.00 -2.41 -0.16 -0.75 0.23 0.00 0.00 176.35 173.26 2az3 s LYS 35 N -4.78 2.93 0.21 1.70 2.20 0.66 -4.46 119.74 118.21 2az3 s LYS 35 Ca 0.63 -0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 2az3 s LYS 35 Cb -0.19 -2.70 -0.09 0.00 -1.51 0.00 0.00 37.83 33.33 2az3 s LYS 35 CO 0.56 -0.27 1.42 1.41 -0.36 0.00 0.00 175.35 178.12 2az3 s MET 36 N 1.29 4.29 0.00 4.03 -2.45 -1.26 -0.05 119.30 125.16 2az3 s MET 36 Ca 0.03 2.23 0.00 0.00 -1.25 0.00 0.00 55.69 56.70 2az3 s MET 36 Cb -0.14 -3.15 0.00 0.00 1.25 0.00 0.00 34.83 32.78 2az3 s MET 36 CO -0.10 -0.41 0.28 1.33 1.05 0.00 0.00 175.02 177.17 2az3 n VAL 37 N 2.87 0.00 -3.63 10.11 0.24 -0.59 -4.89 118.33 122.44 2az3 n VAL 37 Ca 0.08 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.89 2az3 n VAL 37 Cb 0.41 1.20 -0.07 0.00 -1.47 0.00 0.00 33.84 33.90 2az3 n VAL 37 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2az3 s GLY 38 N -0.18 -0.38 -0.29 7.63 0.00 -1.01 -0.70 107.32 112.39 2az3 s GLY 38 Ca 0.00 2.29 -0.16 0.00 0.00 0.00 0.00 44.72 46.85 2az3 s GLY 38 CO 0.00 1.78 1.02 -0.32 0.00 0.00 0.00 173.10 175.58 2az3 s GLY 39 N 0.30 0.06 0.00 0.20 0.00 -1.26 -1.53 107.32 105.09 2az3 s GLY 39 Ca 0.01 3.23 -0.24 0.00 0.00 0.00 0.00 44.72 47.72 2az3 s GLY 39 CO -0.02 2.74 0.53 -1.59 0.00 0.00 0.00 173.10 174.76 2az3 s LYS 40 N 1.50 0.96 -0.26 2.90 -2.85 -0.41 -5.02 119.74 116.56 2az3 s LYS 40 Ca -0.08 -0.06 -0.06 0.00 -1.00 0.00 0.00 55.97 54.77 2az3 s LYS 40 Cb -0.04 0.44 -0.01 0.00 -2.06 0.00 0.00 37.83 36.17 2az3 s LYS 40 CO -0.15 -0.32 0.05 0.12 0.10 0.00 0.00 175.35 175.15 2az3 s PHE 41 N -1.78 3.08 0.09 1.78 5.36 -1.26 -0.76 117.98 124.49 2az3 s PHE 41 Ca -0.09 -0.77 -0.07 0.00 -0.96 0.00 0.00 56.93 55.03 2az3 s PHE 41 Cb -0.01 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.45 2az3 s PHE 41 CO 0.04 -0.49 0.17 0.00 -1.46 0.00 0.00 175.22 173.47 2az3 s MET 42 N 1.54 0.85 -0.18 10.12 0.23 -0.92 -4.98 119.30 125.95 2az3 s MET 42 Ca 0.05 -1.03 -0.15 0.00 -1.03 0.00 0.00 55.69 53.52 2az3 s MET 42 Cb -0.16 0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 33.43 2az3 s MET 42 CO 0.01 -0.26 0.37 0.50 -2.03 0.00 0.00 175.02 173.61 2az3 s ARG 43 N -3.89 4.21 0.07 3.16 3.52 -1.26 -0.10 118.95 124.65 2az3 s ARG 43 Ca 0.07 0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.55 2az3 s ARG 43 Cb 0.05 -3.50 -0.05 0.00 -1.56 0.00 0.00 34.95 29.89 2az3 s ARG 43 CO -0.09 0.05 1.16 0.42 -0.81 0.00 0.00 175.30 176.03 2az3 s ILE 44 N 1.03 4.13 0.25 4.11 1.01 -1.26 -5.00 121.20 125.47 2az3 s ILE 44 Ca 0.19 1.56 -0.14 0.00 0.00 0.00 0.00 60.65 62.26 2az3 s ILE 44 Cb -0.14 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 2az3 s ILE 44 CO 0.07 0.14 0.64 1.51 0.00 0.00 0.00 174.94 177.30 2az3 s ASP 45 N 0.93 6.77 0.39 3.58 1.47 -1.26 -4.70 116.67 123.85 2az3 s ASP 45 Ca 0.57 1.14 0.24 0.00 1.18 0.00 0.00 52.55 55.68 2az3 s ASP 45 Cb -0.28 -2.31 1.37 0.00 -0.34 0.00 0.00 42.92 41.35 2az3 s ASP 45 CO 0.30 -0.08 1.59 -0.33 0.68 0.00 0.00 175.17 177.33 2az3 h GLU 46 N 2.72 0.04 0.06 2.11 5.08 -1.96 -1.54 114.58 121.10 2az3 h GLU 46 Ca -0.48 -0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.64 2az3 h GLU 46 Cb 1.18 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2az3 h GLU 46 CO 0.67 0.03 -1.14 0.93 -1.00 0.00 0.00 179.01 178.49 2az3 h GLU 47 N 0.04 0.13 -0.24 2.33 4.39 -1.99 -1.42 114.58 117.82 2az3 h GLU 47 Ca 0.84 -0.23 -0.14 0.00 0.34 0.00 0.00 59.36 60.17 2az3 h GLU 47 Cb 2.38 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 31.11 2az3 h GLU 47 CO -0.64 1.10 -0.44 1.25 -1.16 0.00 0.00 179.01 179.12 2az3 h LEU 48 N 0.04 0.65 -0.19 1.33 5.85 -1.71 0.17 115.31 121.45 2az3 h LEU 48 Ca -0.08 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.34 2az3 h LEU 48 Cb 1.88 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 2az3 h LEU 48 CO 0.16 1.00 0.10 0.00 -0.34 0.00 0.00 178.44 179.36 2az3 h ALA 49 N 1.02 0.22 -0.37 1.25 0.00 -1.27 0.30 119.26 120.42 2az3 h ALA 49 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2az3 h ALA 49 Cb 0.96 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2az3 h ALA 49 CO 0.09 -0.32 0.17 0.45 0.00 0.00 0.00 179.25 179.64 2az3 h HIS 50 N 0.20 0.53 -0.43 0.00 3.86 -1.01 0.38 115.15 118.68 2az3 h HIS 50 Ca 0.07 -0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.34 2az3 h HIS 50 Cb 0.01 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.25 2az3 h HIS 50 CO -0.09 0.45 0.01 1.49 0.86 0.00 0.00 177.93 180.65 2az3 h GLU 51 N 0.45 0.11 0.00 2.45 4.81 -0.51 -2.55 114.58 119.34 2az3 h GLU 51 Ca 0.13 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2az3 h GLU 51 Cb 0.12 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2az3 h GLU 51 CO -0.02 0.07 -0.22 1.25 -0.73 0.00 0.00 179.01 179.37 2az3 h HIS 52 N 0.12 0.00 -0.86 0.92 2.76 0.36 -3.27 115.15 115.18 2az3 h HIS 52 Ca 0.21 0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.84 2az3 h HIS 52 Cb 0.30 0.00 -0.43 0.00 1.55 0.00 0.00 27.41 28.84 2az3 h HIS 52 CO -0.28 0.22 -0.82 0.66 -1.30 0.00 0.00 177.93 176.42 2az3 n TYR 53 N -3.18 2.79 -0.01 5.26 4.01 0.13 -4.81 117.16 121.35 2az3 n TYR 53 Ca 0.03 -2.37 -0.13 0.00 -0.16 0.00 0.00 57.90 55.27 2az3 n TYR 53 Cb 0.59 -0.29 -0.10 0.00 -0.31 0.00 0.00 39.34 39.23 2az3 n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2az3 h ALA 54 N 2.27 -0.04 -0.73 -0.72 0.00 -1.52 -2.70 119.26 115.82 2az3 h ALA 54 Ca 0.34 -0.27 0.24 0.00 0.00 0.00 0.00 54.91 55.22 2az3 h ALA 54 Cb 1.43 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.10 2az3 h ALA 54 CO 0.75 -0.24 0.16 -0.85 0.00 0.00 0.00 179.25 179.06 2az3 n GLU 55 N -4.85 -0.05 -0.31 0.00 0.28 -1.26 0.40 120.64 114.85 2az3 n GLU 55 Ca -0.09 1.06 0.11 0.00 -0.16 0.00 0.00 57.16 58.08 2az3 n GLU 55 Cb 0.28 -1.77 0.28 0.00 1.43 0.00 0.00 31.44 31.66 2az3 n GLU 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2az3 n HIS 56 N -4.88 0.82 -1.41 -1.84 8.25 -1.03 -4.93 115.22 110.20 2az3 n HIS 56 Ca 0.21 -0.41 -0.51 0.00 -0.26 0.00 0.00 57.72 56.76 2az3 n HIS 56 Cb 0.71 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.73 2az3 n HIS 56 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2az3 n GLU 57 N 1.39 0.71 -0.18 -0.41 -0.58 0.16 -1.46 120.64 120.27 2az3 n GLU 57 Ca 0.21 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 2az3 n GLU 57 Cb 0.55 -2.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 2az3 n GLU 57 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2az3 n ASP 58 N 9.84 -0.19 -4.70 1.62 2.03 -1.26 -5.07 116.55 118.82 2az3 n ASP 58 Ca 0.47 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.48 2az3 n ASP 58 Cb 0.17 -0.03 0.15 0.00 -0.72 0.00 0.00 41.12 40.69 2az3 n ASP 58 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2az3 s LYS 59 N -0.82 1.00 0.17 -0.67 1.02 -0.53 -4.95 119.74 114.95 2az3 s LYS 59 Ca 0.00 0.81 -0.12 0.00 0.02 0.00 0.00 55.97 56.67 2az3 s LYS 59 Cb 0.00 -1.78 0.06 0.00 -0.52 0.00 0.00 37.83 35.59 2az3 s LYS 59 CO 0.00 -2.42 1.70 -1.00 -0.92 0.00 0.00 175.35 172.72 2az3 h PRO 60 N -1.68 0.87 0.00 -1.68 0.13 -1.98 -2.68 132.00 124.98 2az3 h PRO 60 Ca -0.51 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 2az3 h PRO 60 Cb 1.29 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2az3 h PRO 60 CO 0.54 0.77 0.00 1.97 -0.23 0.00 0.00 178.00 181.06 2az3 n PHE 61 N -4.45 0.13 0.28 1.56 1.16 -1.26 -3.77 117.46 111.10 2az3 n PHE 61 Ca 0.03 0.04 0.16 0.00 -1.87 0.00 0.00 57.45 55.81 2az3 n PHE 61 Cb 0.19 -0.57 0.76 0.00 -1.61 0.00 0.00 39.48 38.25 2az3 n PHE 61 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 2az3 h PHE 62 N 0.00 0.00 0.20 2.97 3.57 -1.74 -0.62 116.94 121.32 2az3 h PHE 62 Ca 0.00 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.17 2az3 h PHE 62 Cb 0.41 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.18 2az3 h PHE 62 CO 0.00 0.06 -1.50 -0.44 -2.23 0.00 0.00 178.31 174.20 2az3 h ASP 63 N 0.00 0.67 0.54 0.41 3.32 -1.77 -2.90 116.42 116.69 2az3 h ASP 63 Ca -0.00 -0.78 -0.11 0.00 0.02 0.00 0.00 57.03 56.15 2az3 h ASP 63 Cb 0.42 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2az3 h ASP 63 CO 0.01 1.63 -0.54 1.23 -1.72 0.00 0.00 179.24 179.85 2az3 h GLY 64 N 0.72 0.00 1.23 2.75 0.00 -1.70 -3.20 103.07 102.86 2az3 h GLY 64 Ca -0.25 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.77 2az3 h GLY 64 CO 0.23 0.00 -1.34 -2.00 0.00 0.00 0.00 176.54 173.44 2az3 h LEU 65 N 0.00 0.87 -0.00 3.11 6.46 -1.17 -2.31 115.31 122.27 2az3 h LEU 65 Ca -0.01 -0.86 -0.00 0.00 -0.12 0.00 0.00 57.88 56.89 2az3 h LEU 65 Cb 0.96 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.61 2az3 h LEU 65 CO 0.07 1.65 0.00 0.58 -0.62 0.00 0.00 178.44 180.13 2az3 h VAL 66 N 0.21 1.02 -0.83 1.05 2.07 -1.65 -2.29 116.25 115.84 2az3 h VAL 66 Ca -0.22 -0.07 0.16 0.00 0.82 0.00 0.00 66.70 67.39 2az3 h VAL 66 Cb 2.02 1.06 -0.10 0.00 -1.52 0.00 0.00 31.29 32.75 2az3 h VAL 66 CO 0.25 0.02 0.38 -1.28 0.02 0.00 0.00 177.57 176.96 2az3 h SER 67 N -0.02 0.39 0.57 0.57 0.87 -1.56 -2.36 113.55 112.01 2az3 h SER 67 Ca 0.00 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 2az3 h SER 67 Cb 0.03 0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2az3 h SER 67 CO -0.00 0.13 -0.27 0.15 -0.53 0.00 0.00 176.83 176.31 2az3 h PHE 68 N 0.51 -0.70 0.00 2.24 3.57 -1.22 0.15 116.94 121.48 2az3 h PHE 68 Ca 0.47 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.95 2az3 h PHE 68 Cb 0.74 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2az3 h PHE 68 CO -0.13 -0.38 0.00 1.51 -2.23 0.00 0.00 178.31 177.08 2az3 n ILE 69 N -5.31 1.08 0.62 1.41 0.13 -0.88 -1.22 119.36 115.20 2az3 n ILE 69 Ca -0.11 0.27 0.07 0.00 -1.10 0.00 0.00 62.75 61.88 2az3 n ILE 69 Cb 0.33 -1.11 -0.08 0.00 -0.84 0.00 0.00 39.64 37.94 2az3 n ILE 69 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 2az3 n THR 70 N -1.40 0.00 0.22 9.51 -1.04 -0.89 -4.44 114.28 116.25 2az3 n THR 70 Ca 0.03 -0.17 0.11 0.00 -2.04 0.00 0.00 64.05 61.98 2az3 n THR 70 Cb 0.10 0.93 0.44 0.00 -1.82 0.00 0.00 70.33 69.98 2az3 n THR 70 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2az3 h SER 71 N 0.00 0.00 -5.07 8.00 4.64 0.75 -3.47 113.55 118.40 2az3 h SER 71 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2az3 h SER 71 Cb 0.37 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.41 2az3 h SER 71 CO 0.00 0.19 0.15 -0.83 -0.87 0.00 0.00 176.83 175.47 2az3 s GLY 72 N -4.27 0.20 0.95 -0.77 0.00 -1.26 -5.09 107.32 97.08 2az3 s GLY 72 Ca 0.01 -0.57 -0.11 0.00 0.00 0.00 0.00 44.72 44.06 2az3 s GLY 72 CO 0.63 -0.28 1.11 2.56 0.00 0.00 0.00 173.10 177.12 2az3 s PRO 73 N -3.58 0.73 0.15 2.90 0.04 -1.26 -4.58 135.00 129.40 2az3 s PRO 73 Ca 0.15 1.26 0.07 0.00 0.04 0.00 0.00 61.00 62.52 2az3 s PRO 73 Cb -0.05 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 2az3 s PRO 73 CO 0.09 -2.74 -0.16 0.08 0.04 0.00 0.00 177.00 174.31 2az3 s VAL 74 N -2.67 1.58 -0.39 -0.36 1.01 0.86 -3.85 120.40 116.58 2az3 s VAL 74 Ca 0.66 -1.86 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 2az3 s VAL 74 Cb -0.22 -1.72 0.11 0.00 0.00 0.00 0.00 36.38 34.54 2az3 s VAL 74 CO 0.59 -0.39 0.16 0.12 0.00 0.00 0.00 175.10 175.58 2az3 s PHE 75 N -2.19 3.61 0.15 5.22 5.36 -0.86 -2.16 117.98 127.11 2az3 s PHE 75 Ca 0.13 -2.52 -0.23 0.00 -0.96 0.00 0.00 56.93 53.36 2az3 s PHE 75 Cb -0.05 -3.12 -0.08 0.00 -0.34 0.00 0.00 43.02 39.43 2az3 s PHE 75 CO 0.05 -0.96 0.71 0.00 -1.46 0.00 0.00 175.22 173.56 2az3 s ALA 76 N 1.10 3.48 0.04 11.12 0.00 0.07 -2.03 121.76 135.54 2az3 s ALA 76 Ca 0.08 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 2az3 s ALA 76 Cb -0.22 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 2az3 s ALA 76 CO -0.05 0.33 0.02 -1.64 0.00 0.00 0.00 175.76 174.42 2az3 s MET 77 N -1.23 0.56 -0.10 0.00 1.00 0.13 -1.29 119.30 118.37 2az3 s MET 77 Ca 0.35 -0.96 0.03 0.00 0.00 0.00 0.00 55.69 55.11 2az3 s MET 77 Cb -0.21 0.21 0.00 0.00 0.00 0.00 0.00 34.83 34.83 2az3 s MET 77 CO 0.24 -0.12 -0.21 0.08 0.00 0.00 0.00 175.02 175.01 2az3 s VAL 78 N -3.11 1.88 0.14 -6.03 1.01 -0.58 -0.97 120.40 112.74 2az3 s VAL 78 Ca -0.01 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.16 2az3 s VAL 78 Cb 0.02 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2az3 s VAL 78 CO -0.07 0.52 -0.16 0.26 0.00 0.00 0.00 175.10 175.65 2az3 s TRP 79 N 0.53 2.56 0.04 5.22 0.52 0.36 -1.53 118.94 126.63 2az3 s TRP 79 Ca -0.15 -0.25 0.04 0.00 0.02 0.00 0.00 56.10 55.75 2az3 s TRP 79 Cb -0.17 -1.32 -0.02 0.00 -1.15 0.00 0.00 33.47 30.81 2az3 s TRP 79 CO 0.05 0.43 -0.11 -2.00 0.02 0.00 0.00 176.95 175.34 2az3 s GLU 80 N -2.37 0.72 0.00 4.98 2.12 0.93 0.00 118.70 125.08 2az3 s GLU 80 Ca 0.20 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.78 2az3 s GLU 80 Cb -0.10 -0.65 0.00 0.00 0.26 0.00 0.00 34.13 33.64 2az3 s GLU 80 CO 0.12 0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 2az3 n GLY 81 N 1.70 3.19 3.62 -1.50 0.00 -0.81 -0.24 105.19 111.15 2az3 n GLY 81 Ca -0.20 -1.11 -0.49 0.00 0.00 0.00 0.00 46.02 44.22 2az3 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2az3 n ALA 82 N -1.27 -0.05 -1.87 4.61 0.00 -1.26 -0.88 120.51 119.79 2az3 n ALA 82 Ca 0.00 0.48 -0.13 0.00 0.00 0.00 0.00 53.44 53.78 2az3 n ALA 82 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 2az3 n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2az3 n ASP 83 N 2.68 -3.84 -0.32 0.00 2.03 -1.26 -4.78 116.55 111.06 2az3 n ASP 83 Ca 0.17 0.26 0.12 0.00 0.52 0.00 0.00 54.79 55.86 2az3 n ASP 83 Cb 0.24 -3.42 0.26 0.00 -0.72 0.00 0.00 41.12 37.49 2az3 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2az3 h ALA 84 N 0.85 1.10 0.19 -1.67 0.00 -1.29 -0.37 119.26 118.06 2az3 h ALA 84 Ca -0.30 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2az3 h ALA 84 Cb 1.04 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2az3 h ALA 84 CO 0.39 -0.53 -0.09 1.15 0.00 0.00 0.00 179.25 180.17 2az3 h THR 85 N 0.05 0.86 -0.35 0.00 2.02 -1.84 0.41 112.91 114.06 2az3 h THR 85 Ca 0.56 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 67.43 2az3 h THR 85 Cb 1.11 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 2az3 h THR 85 CO -0.84 0.06 -0.06 -0.09 0.37 0.00 0.00 175.52 174.95 2az3 h ARG 86 N -0.37 0.57 -0.18 6.66 2.43 -1.63 -2.82 114.38 119.04 2az3 h ARG 86 Ca -0.03 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 58.91 2az3 h ARG 86 Cb 0.29 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2az3 h ARG 86 CO 0.04 0.64 -0.23 1.96 -1.51 0.00 0.00 179.97 180.87 2az3 h GLN 87 N 0.53 0.48 -0.54 0.20 1.08 -0.13 -2.24 115.11 114.49 2az3 h GLN 87 Ca 0.10 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 2az3 h GLN 87 Cb 0.44 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 2az3 h GLN 87 CO 0.02 0.86 0.30 0.28 -0.95 0.00 0.00 178.83 179.34 2az3 h VAL 88 N 0.13 1.16 -0.10 -0.54 2.07 -0.97 -2.48 116.25 115.53 2az3 h VAL 88 Ca 0.02 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2az3 h VAL 88 Cb 0.79 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2az3 h VAL 88 CO 0.06 0.18 0.06 0.03 0.02 0.00 0.00 177.57 177.92 2az3 h ARG 89 N 0.75 0.13 0.11 1.57 2.47 -1.22 -2.10 114.38 116.09 2az3 h ARG 89 Ca 0.19 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.92 2az3 h ARG 89 Cb 0.02 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 2az3 h ARG 89 CO -0.03 0.11 -0.19 1.96 0.56 0.00 0.00 179.97 182.38 2az3 h GLN 90 N 0.11 -0.35 -1.01 0.04 4.20 -0.97 -2.22 115.11 114.91 2az3 h GLN 90 Ca 0.04 0.02 0.25 0.00 0.06 0.00 0.00 58.65 59.02 2az3 h GLN 90 Cb 0.01 0.08 -0.12 0.00 0.30 0.00 0.00 27.48 27.75 2az3 h GLN 90 CO -0.01 -0.23 0.61 -0.07 -0.67 0.00 0.00 178.83 178.46 2az3 h LEU 91 N -0.36 0.64 0.08 1.46 3.38 -1.40 -0.37 115.31 118.74 2az3 h LEU 91 Ca 0.03 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2az3 h LEU 91 Cb 0.38 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2az3 h LEU 91 CO -0.10 0.09 -0.04 0.24 0.09 0.00 0.00 178.44 178.72 2az3 h MET 92 N 0.55 -0.10 0.00 1.13 2.86 -1.02 0.25 114.93 118.60 2az3 h MET 92 Ca 0.64 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.29 2az3 h MET 92 Cb 1.28 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.96 2az3 h MET 92 CO -0.46 0.35 0.00 0.41 1.06 0.00 0.00 176.91 178.27 2az3 n GLY 93 N 0.19 0.17 2.82 8.32 0.00 -0.15 -1.00 105.19 115.53 2az3 n GLY 93 Ca -0.08 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 2az3 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2az3 n ALA 94 N 0.67 -2.71 0.25 4.61 0.00 -1.26 -4.84 120.51 117.24 2az3 n ALA 94 Ca 0.00 0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.95 2az3 n ALA 94 Cb 0.00 -1.36 0.67 0.00 0.00 0.00 0.00 19.45 18.76 2az3 n ALA 94 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2az3 h THR 95 N 1.30 0.63 -3.56 0.00 1.35 -1.97 -3.34 112.91 107.33 2az3 h THR 95 Ca -0.29 -0.64 -0.61 0.00 -0.55 0.00 0.00 66.41 64.33 2az3 h THR 95 Cb 1.18 1.40 -0.11 0.00 -1.73 0.00 0.00 68.15 68.90 2az3 h THR 95 CO 0.49 0.14 0.49 -0.62 -0.25 0.00 0.00 175.52 175.77 2az3 s ASP 96 N -6.25 6.56 0.36 5.36 -1.08 -1.26 -4.82 116.67 115.55 2az3 s ASP 96 Ca -0.03 0.33 0.09 0.00 -0.52 0.00 0.00 52.55 52.42 2az3 s ASP 96 Cb 0.13 -2.43 0.83 0.00 -1.46 0.00 0.00 42.92 39.99 2az3 s ASP 96 CO 0.60 -0.86 1.88 0.00 0.52 0.00 0.00 175.17 177.32 2az3 h ALA 97 N 8.66 1.84 -0.07 3.66 0.00 -1.65 -1.49 119.26 130.21 2az3 h ALA 97 Ca -0.24 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2az3 h ALA 97 Cb 1.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2az3 h ALA 97 CO 0.96 -0.06 0.10 1.96 0.00 0.00 0.00 179.25 182.21 2az3 h GLN 98 N 0.68 0.00 0.00 0.00 4.20 -1.79 -1.62 115.11 116.57 2az3 h GLN 98 Ca 0.43 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.96 2az3 h GLN 98 Cb 0.68 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 2az3 h GLN 98 CO -0.19 0.00 -1.68 -0.25 -0.67 0.00 0.00 178.83 176.05 2az3 n ASP 99 N -3.61 0.55 -4.72 1.46 8.00 -0.58 -5.00 116.55 112.65 2az3 n ASP 99 Ca -0.01 0.24 -0.42 0.00 0.71 0.00 0.00 54.79 55.31 2az3 n ASP 99 Cb 0.20 0.64 -0.01 0.00 -0.02 0.00 0.00 41.12 41.93 2az3 n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2az3 n ALA 100 N -2.43 1.71 -1.81 2.24 0.00 -0.61 -4.76 120.51 114.84 2az3 n ALA 100 Ca -0.13 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 2az3 n ALA 100 Cb 0.84 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.92 2az3 n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2az3 s ALA 101 N -0.94 3.01 0.46 0.00 0.00 -1.26 -4.23 121.76 118.80 2az3 s ALA 101 Ca 0.56 0.34 -0.24 0.00 0.00 0.00 0.00 51.96 52.63 2az3 s ALA 101 Cb -0.54 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 2az3 s ALA 101 CO 0.61 -0.12 1.30 -1.25 0.00 0.00 0.00 175.76 176.30 2az3 s PRO 102 N -3.57 3.66 0.00 0.00 0.04 -1.26 -1.67 135.00 132.20 2az3 s PRO 102 Ca 0.62 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.79 2az3 s PRO 102 Cb -0.11 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.90 2az3 s PRO 102 CO 0.22 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2az3 n GLY 103 N 0.62 3.38 3.93 0.56 0.00 -1.26 -4.98 105.19 107.44 2az3 n GLY 103 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 2az3 n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2az3 s THR 104 N -2.57 5.07 0.17 2.61 -4.23 -0.67 -4.95 115.64 111.08 2az3 s THR 104 Ca 0.00 -0.26 -0.20 0.00 -1.18 0.00 0.00 61.69 60.05 2az3 s THR 104 Cb 0.00 -3.82 0.10 0.00 1.34 0.00 0.00 72.50 70.12 2az3 s THR 104 CO 0.00 -0.50 1.61 0.40 -0.54 0.00 0.00 174.62 175.59 2az3 h ILE 105 N 0.91 0.30 -0.22 2.99 2.04 -0.47 0.51 117.51 123.57 2az3 h ILE 105 Ca -0.49 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.18 2az3 h ILE 105 Cb 1.21 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2az3 h ILE 105 CO 0.63 0.00 -0.63 0.03 0.00 0.00 0.00 178.15 178.18 2az3 h ARG 106 N -0.18 0.80 -0.22 2.37 3.08 -1.28 -1.23 114.38 117.72 2az3 h ARG 106 Ca 0.20 -0.56 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 2az3 h ARG 106 Cb 0.50 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2az3 h ARG 106 CO -0.55 1.18 -0.06 0.78 -1.07 0.00 0.00 179.97 180.26 2az3 h GLY 107 N 0.72 0.36 1.36 0.04 0.00 -1.58 -1.20 103.07 102.76 2az3 h GLY 107 Ca -0.01 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 2az3 h GLY 107 CO 0.13 0.19 -1.09 -0.55 0.00 0.00 0.00 176.54 175.22 2az3 h ASP 108 N 0.32 0.00 0.00 0.19 3.32 -0.51 -3.42 116.42 116.32 2az3 h ASP 108 Ca 0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 2az3 h ASP 108 Cb 0.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2az3 h ASP 108 CO 0.01 0.55 -1.03 -1.22 -1.72 0.00 0.00 179.24 175.84 2az3 n TYR 109 N -3.01 0.00 -4.27 4.55 4.01 -0.50 -5.08 117.16 112.86 2az3 n TYR 109 Ca -0.05 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.40 2az3 n TYR 109 Cb 0.80 -0.02 -0.10 0.00 -0.31 0.00 0.00 39.34 39.71 2az3 n TYR 109 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2az3 s GLY 110 N -2.50 1.74 -0.20 2.72 0.00 -0.46 -5.02 107.32 103.60 2az3 s GLY 110 Ca -0.00 -1.35 0.23 0.00 0.00 0.00 0.00 44.72 43.59 2az3 s GLY 110 CO 0.02 -1.34 1.13 -2.01 0.00 0.00 0.00 173.10 170.90 2az3 n ASN 111 N 0.52 1.62 -3.53 1.64 5.15 -1.26 -4.49 115.26 114.91 2az3 n ASN 111 Ca -0.13 -2.14 -0.17 0.00 -0.60 0.00 0.00 54.58 51.54 2az3 n ASN 111 Cb 0.53 -0.43 -0.06 0.00 -0.53 0.00 0.00 39.78 39.29 2az3 n ASN 111 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2az3 s ASP 112 N -3.39 -0.61 -0.08 1.20 2.15 -1.26 -4.80 116.67 109.89 2az3 s ASP 112 Ca 0.30 0.56 -0.20 0.00 0.43 0.00 0.00 52.55 53.64 2az3 s ASP 112 Cb 0.34 0.53 -0.29 0.00 -0.30 0.00 0.00 42.92 43.20 2az3 s ASP 112 CO -0.07 -0.65 0.76 0.25 -0.17 0.00 0.00 175.17 175.29 2az3 h LEU 113 N 2.91 0.40 0.55 -1.34 6.46 -1.94 -3.07 115.31 119.28 2az3 h LEU 113 Ca -0.28 -0.91 -0.03 0.00 -0.12 0.00 0.00 57.88 56.54 2az3 h LEU 113 Cb 1.17 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 40.97 2az3 h LEU 113 CO 0.39 1.44 -0.26 1.23 -0.62 0.00 0.00 178.44 180.62 2az3 h GLY 114 N -0.29 -0.77 -7.62 3.75 0.00 -1.97 -3.37 103.07 92.80 2az3 h GLY 114 Ca -0.19 0.28 -0.72 0.00 0.00 0.00 0.00 47.33 46.70 2az3 h GLY 114 CO 0.10 -0.28 1.71 1.42 0.00 0.00 0.00 176.54 179.49 2az3 n HIS 115 N -4.98 4.70 -1.39 5.60 8.25 -1.26 -4.69 115.22 121.45 2az3 n HIS 115 Ca -0.09 -3.16 0.07 0.00 -0.26 0.00 0.00 57.72 54.29 2az3 n HIS 115 Cb 0.29 -2.32 0.18 0.00 1.12 0.00 0.00 29.99 29.27 2az3 n HIS 115 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2az3 n ASN 116 N 6.33 1.98 0.00 0.41 6.94 -1.26 -4.16 115.26 125.50 2az3 n ASN 116 Ca 0.41 -3.59 0.00 0.00 -0.02 0.00 0.00 54.58 51.38 2az3 n ASN 116 Cb 0.43 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 2az3 n ASN 116 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2az3 n LEU 117 N -1.24 0.00 -3.73 -4.53 4.77 -1.26 -4.81 117.00 106.20 2az3 n LEU 117 Ca 0.18 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 2az3 n LEU 117 Cb 0.68 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.69 2az3 n LEU 117 CO -0.02 0.00 0.06 -0.51 -1.33 0.00 0.00 177.39 175.60 2az3 s ILE 118 N -0.04 0.07 0.04 -0.08 2.07 -1.26 -0.21 121.20 121.78 2az3 s ILE 118 Ca 0.00 -0.55 0.07 0.00 -1.41 0.00 0.00 60.65 58.76 2az3 s ILE 118 Cb 0.00 -0.84 -0.02 0.00 0.13 0.00 0.00 42.46 41.73 2az3 s ILE 118 CO 0.00 -0.30 -0.19 -2.28 -1.91 0.00 0.00 174.94 170.25 2az3 s HIS 119 N -2.10 1.71 0.05 3.50 5.65 0.13 -4.88 115.29 119.35 2az3 s HIS 119 Ca -0.08 -0.36 -0.02 0.00 0.25 0.00 0.00 55.06 54.85 2az3 s HIS 119 Cb -0.02 -1.03 -0.03 0.00 -1.18 0.00 0.00 32.58 30.32 2az3 s HIS 119 CO -0.00 0.07 -0.01 0.20 -0.65 0.00 0.00 174.74 174.35 2az3 s GLY 120 N -1.09 0.41 0.46 1.59 0.00 -1.26 -1.08 107.32 106.35 2az3 s GLY 120 Ca 0.07 -1.08 -0.24 0.00 0.00 0.00 0.00 44.72 43.46 2az3 s GLY 120 CO 0.01 -1.19 1.29 -0.56 0.00 0.00 0.00 173.10 172.65 2az3 s SER 121 N -2.76 5.99 -0.38 1.64 0.01 -0.67 -4.93 113.70 112.60 2az3 s SER 121 Ca 0.04 2.62 -0.25 0.00 1.31 0.00 0.00 55.95 59.68 2az3 s SER 121 Cb 0.06 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.67 2az3 s SER 121 CO -0.09 -1.07 0.87 -0.62 0.41 0.00 0.00 173.24 172.74 2az3 s ASP 122 N -0.92 6.61 0.00 2.44 2.15 -1.26 -4.79 116.67 120.91 2az3 s ASP 122 Ca 0.62 0.44 0.21 0.00 0.43 0.00 0.00 52.55 54.26 2az3 s ASP 122 Cb -0.37 -2.44 1.28 0.00 -0.30 0.00 0.00 42.92 41.09 2az3 s ASP 122 CO 0.46 -0.83 1.66 0.00 -0.17 0.00 0.00 175.17 176.30 2az3 n HIS 123 N 6.67 0.00 -0.00 -5.34 1.44 -1.26 -2.82 115.22 113.90 2az3 n HIS 123 Ca 0.05 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.87 2az3 n HIS 123 Cb 0.48 -0.01 -0.16 0.00 0.12 0.00 0.00 29.99 30.42 2az3 n HIS 123 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2az3 n GLU 124 N -1.01 0.64 -2.80 -1.40 1.02 -1.26 -4.68 120.64 111.15 2az3 n GLU 124 Ca 0.16 -0.19 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 2az3 n GLU 124 Cb 0.08 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.98 2az3 n GLU 124 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2az3 s ASP 125 N -4.43 6.73 0.18 1.62 2.15 -1.13 -4.95 116.67 116.84 2az3 s ASP 125 Ca -0.08 -2.19 -0.33 0.00 0.43 0.00 0.00 52.55 50.38 2az3 s ASP 125 Cb 0.14 -2.47 -0.14 0.00 -0.30 0.00 0.00 42.92 40.15 2az3 s ASP 125 CO 0.88 -1.11 1.49 -0.62 -0.17 0.00 0.00 175.17 175.64 2az3 n GLU 126 N 7.15 1.99 -0.33 4.34 1.02 -1.26 0.20 120.64 133.74 2az3 n GLU 126 Ca 0.33 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 58.18 2az3 n GLU 126 Cb 0.48 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 2az3 n GLU 126 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2az3 n GLY 127 N 2.91 1.30 0.32 0.62 0.00 -1.26 -4.92 105.19 104.17 2az3 n GLY 127 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 2az3 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2az3 h ALA 128 N 0.00 1.26 0.84 4.61 0.00 -0.52 -2.43 119.26 123.02 2az3 h ALA 128 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2az3 h ALA 128 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.55 2az3 h ALA 128 CO 0.00 0.54 -0.40 -2.95 0.00 0.00 0.00 179.25 176.44 2az3 h ASN 129 N 0.89 -0.95 0.21 0.00 -1.07 -1.83 -1.80 115.58 111.03 2az3 h ASN 129 Ca 0.21 0.02 -0.03 0.00 0.07 0.00 0.00 56.30 56.57 2az3 h ASN 129 Cb 0.19 0.25 -0.00 0.00 -2.07 0.00 0.00 38.32 36.68 2az3 h ASN 129 CO -0.02 -0.63 -0.16 -0.33 0.07 0.00 0.00 177.43 176.36 2az3 h GLU 130 N -1.23 0.00 -0.04 4.14 4.39 -1.82 -1.94 114.58 118.08 2az3 h GLU 130 Ca -0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2az3 h GLU 130 Cb 0.87 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.52 2az3 h GLU 130 CO 0.19 0.16 0.01 -0.09 -1.16 0.00 0.00 179.01 178.12 2az3 h ARG 131 N 0.00 0.06 -0.03 2.33 2.43 -1.36 -0.28 114.38 117.52 2az3 h ARG 131 Ca -0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2az3 h ARG 131 Cb 0.31 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2az3 h ARG 131 CO 0.02 0.27 0.02 0.93 -1.51 0.00 0.00 179.97 179.70 2az3 h GLU 132 N -0.16 0.04 -0.61 0.20 5.08 -0.84 0.03 114.58 118.32 2az3 h GLU 132 Ca 0.01 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2az3 h GLU 132 Cb 0.24 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 2az3 h GLU 132 CO 0.00 0.09 0.20 0.82 -1.00 0.00 0.00 179.01 179.12 2az3 h ILE 133 N -0.02 0.73 -0.10 3.13 2.04 -1.39 -2.15 117.51 119.75 2az3 h ILE 133 Ca 0.01 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 2az3 h ILE 133 Cb 0.06 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2az3 h ILE 133 CO -0.00 0.07 -0.35 0.00 0.00 0.00 0.00 178.15 177.87 2az3 h ALA 134 N 1.44 1.23 -0.01 1.87 0.00 -0.40 -2.68 119.26 120.72 2az3 h ALA 134 Ca 0.31 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2az3 h ALA 134 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2az3 h ALA 134 CO -0.34 0.52 -0.76 1.25 0.00 0.00 0.00 179.25 179.92 2az3 h LEU 135 N 0.17 0.16 -1.34 0.00 6.46 -0.65 -3.35 115.31 116.77 2az3 h LEU 135 Ca 0.02 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2az3 h LEU 135 Cb 0.70 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 2az3 h LEU 135 CO 0.05 0.86 -0.11 0.49 -0.62 0.00 0.00 178.44 179.11 2az3 n PHE 136 N -3.71 0.00 -3.74 1.25 3.01 -0.84 -5.00 117.46 108.44 2az3 n PHE 136 Ca -0.02 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.30 2az3 n PHE 136 Cb 0.73 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.11 2az3 n PHE 136 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2az3 s PHE 137 N -1.48 -0.28 0.33 1.38 0.08 -1.01 -5.07 117.98 111.92 2az3 s PHE 137 Ca 0.16 0.55 0.08 0.00 0.12 0.00 0.00 56.93 57.83 2az3 s PHE 137 Cb 0.13 0.13 -0.03 0.00 -0.57 0.00 0.00 43.02 42.68 2az3 s PHE 137 CO 0.26 -0.35 0.26 -0.51 -0.10 0.00 0.00 175.22 174.79 2az3 s ASP 138 N -0.85 5.20 0.50 1.36 1.01 -1.26 -4.52 116.67 118.10 2az3 s ASP 138 Ca -0.09 -0.53 0.33 0.00 0.71 0.00 0.00 52.55 52.96 2az3 s ASP 138 Cb -0.04 -0.95 1.48 0.00 1.01 0.00 0.00 42.92 44.42 2az3 s ASP 138 CO 0.03 -0.33 1.98 0.44 0.21 0.00 0.00 175.17 177.50 2az3 h ASP 139 N 1.30 0.00 -0.83 0.27 3.32 -1.95 -1.07 116.42 117.46 2az3 h ASP 139 Ca -0.45 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 2az3 h ASP 139 Cb 1.25 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 2az3 h ASP 139 CO 0.59 0.00 0.52 -0.78 -1.72 0.00 0.00 179.24 177.85 2az3 h ASP 140 N 0.00 0.99 -0.55 6.45 1.82 -2.03 -2.63 116.42 120.46 2az3 h ASP 140 Ca 0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2az3 h ASP 140 Cb 0.35 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.12 2az3 h ASP 140 CO 0.00 0.74 0.00 -0.62 -1.61 0.00 0.00 179.24 177.75 2az3 n GLU 141 N -4.38 3.79 -4.84 0.28 1.02 -0.41 -4.85 120.64 111.24 2az3 n GLU 141 Ca 0.09 -2.62 -0.32 0.00 -0.02 0.00 0.00 57.16 54.29 2az3 n GLU 141 Cb 0.05 -1.95 -0.17 0.00 -0.02 0.00 0.00 31.44 29.35 2az3 n GLU 141 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2az3 s LEU 142 N -1.94 2.09 -0.12 -4.62 1.43 -0.99 -4.44 118.68 110.09 2az3 s LEU 142 Ca 0.46 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 2az3 s LEU 142 Cb 0.32 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2az3 s LEU 142 CO 0.19 0.10 0.13 -0.69 0.23 0.00 0.00 176.35 176.31 2az3 s VAL 143 N 0.66 5.40 -0.29 -1.59 1.01 0.12 -4.97 120.40 120.74 2az3 s VAL 143 Ca -0.11 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 2az3 s VAL 143 Cb -0.16 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 2az3 s VAL 143 CO 0.02 0.62 0.11 -1.81 0.00 0.00 0.00 175.10 174.03 2az3 s ASP 144 N -1.02 5.29 0.23 3.32 1.01 -1.26 -4.76 116.67 119.48 2az3 s ASP 144 Ca 0.15 -0.56 -0.10 0.00 0.71 0.00 0.00 52.55 52.75 2az3 s ASP 144 Cb -0.12 -1.93 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 2az3 s ASP 144 CO 0.04 -0.17 0.38 -1.66 0.21 0.00 0.00 175.17 173.97 2az3 s TRP 145 N 1.56 0.56 -0.39 4.23 1.48 -1.26 -5.12 118.94 120.00 2az3 s TRP 145 Ca 0.04 -0.89 -0.08 0.00 -1.06 0.00 0.00 56.10 54.11 2az3 s TRP 145 Cb -0.17 -0.02 0.06 0.00 -1.16 0.00 0.00 33.47 32.19 2az3 s TRP 145 CO 0.04 -0.88 0.21 0.34 -4.06 0.00 0.00 176.95 172.59 2az3 s ASP 146 N -3.05 5.54 -0.58 -2.66 2.15 -1.26 -5.04 116.67 111.76 2az3 s ASP 146 Ca 0.26 -1.38 -0.28 0.00 0.43 0.00 0.00 52.55 51.58 2az3 s ASP 146 Cb 0.02 -1.95 0.03 0.00 -0.30 0.00 0.00 42.92 40.72 2az3 s ASP 146 CO 0.09 -0.46 1.20 -0.60 -0.17 0.00 0.00 175.17 175.23 2az3 s ARG 147 N 1.42 3.50 0.40 4.34 3.52 -1.26 -4.90 118.95 125.97 2az3 s ARG 147 Ca 0.02 0.25 0.12 0.00 -0.13 0.00 0.00 55.73 55.99 2az3 s ARG 147 Cb -0.22 -4.02 0.94 0.00 -1.56 0.00 0.00 34.95 30.09 2az3 s ARG 147 CO 0.02 -1.70 1.94 -0.44 -0.81 0.00 0.00 175.30 174.32 2az3 h ASP 148 N 9.61 0.48 0.13 -2.12 3.32 -2.04 -1.01 116.42 124.79 2az3 h ASP 148 Ca -0.25 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2az3 h ASP 148 Cb 1.06 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2az3 h ASP 148 CO 1.19 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 178.99 2az3 n ALA 149 N -2.49 1.15 -0.12 3.45 0.00 -1.26 -2.72 120.51 118.53 2az3 n ALA 149 Ca 0.12 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.72 2az3 n ALA 149 Cb 0.40 -1.19 0.41 0.00 0.00 0.00 0.00 19.45 19.07 2az3 n ALA 149 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2az3 h SER 150 N 0.00 0.54 0.16 0.00 0.02 -1.55 0.13 113.55 112.84 2az3 h SER 150 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2az3 h SER 150 Cb 0.06 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2az3 h SER 150 CO 0.00 0.35 0.00 0.00 -1.14 0.00 0.00 176.83 176.04 2az3 n ALA 151 N -2.47 1.63 -0.02 3.77 0.00 -1.10 -2.10 120.51 120.22 2az3 n ALA 151 Ca 0.09 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.51 2az3 n ALA 151 Cb 0.23 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 2az3 n ALA 151 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2az3 n TRP 152 N -1.25 0.00 0.26 0.00 7.02 0.39 -4.54 117.44 119.32 2az3 n TRP 152 Ca 0.05 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.68 2az3 n TRP 152 Cb 0.07 -0.31 0.53 0.00 -2.42 0.00 0.00 31.31 29.18 2az3 n TRP 152 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2az3 h VAL 153 N 0.00 0.04 -2.97 -0.99 2.07 -1.00 -3.46 116.25 109.94 2az3 h VAL 153 Ca -0.07 -0.69 -0.16 0.00 0.82 0.00 0.00 66.70 66.59 2az3 h VAL 153 Cb 0.79 1.66 -0.27 0.00 -1.52 0.00 0.00 31.29 31.96 2az3 h VAL 153 CO 0.00 0.02 -0.40 -0.31 0.02 0.00 0.00 177.57 176.90 2az3 s TYR 154 N -3.54 -0.37 -3.00 1.57 2.02 -0.89 -5.09 117.35 108.05 2az3 s TYR 154 Ca 0.03 0.86 0.24 0.00 -0.37 0.00 0.00 57.07 57.83 2az3 s TYR 154 Cb 0.08 0.11 0.19 0.00 -0.40 0.00 0.00 41.96 41.94 2az3 s TYR 154 CO 0.58 -0.21 1.26 -0.85 -1.57 0.00 0.00 175.55 174.76