#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh0 s PHE 7 N 0.00 2.47 -0.43 2.13 5.36 -1.26 -4.94 117.98 121.32 3dh0 s PHE 7 Ca 0.00 1.50 -0.25 0.00 -0.96 0.00 0.00 56.93 57.23 3dh0 s PHE 7 Cb 0.00 -3.50 0.02 0.00 -0.34 0.00 0.00 43.02 39.20 3dh0 s PHE 7 CO 0.00 -2.16 0.87 0.34 -1.46 0.00 0.00 175.22 172.81 3dh0 s ASP 8 N -1.48 6.51 0.48 6.13 2.15 -1.26 -4.94 116.67 124.26 3dh0 s ASP 8 Ca 0.74 0.18 0.36 0.00 0.43 0.00 0.00 52.55 54.26 3dh0 s ASP 8 Cb -0.31 -2.43 1.52 0.00 -0.30 0.00 0.00 42.92 41.40 3dh0 s ASP 8 CO 0.35 -0.93 1.64 -0.65 -0.17 0.00 0.00 175.17 175.40 3dh0 h PRO 9 N 8.86 0.06 0.00 4.34 0.11 -2.02 0.20 132.00 143.55 3dh0 h PRO 9 Ca -0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3dh0 h PRO 9 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3dh0 h PRO 9 CO 0.98 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.68 3dh0 n SER 10 N -4.42 0.00 -0.80 -2.05 3.41 -1.26 -2.85 113.62 105.65 3dh0 n SER 10 Ca 0.37 -0.47 0.08 0.00 -0.26 0.00 0.00 58.87 58.59 3dh0 n SER 10 Cb 1.55 -0.17 0.17 0.00 -0.26 0.00 0.00 64.21 65.50 3dh0 n SER 10 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dh0 n LYS 11 N -1.17 2.34 -0.43 4.33 5.02 0.70 -4.73 118.16 124.22 3dh0 n LYS 11 Ca 0.18 -2.01 0.40 0.00 -2.02 0.00 0.00 58.31 54.85 3dh0 n LYS 11 Cb 0.18 -1.35 0.77 0.00 -0.02 0.00 0.00 35.03 34.61 3dh0 n LYS 11 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3dh0 h ILE 12 N 2.85 0.30 0.00 -0.18 2.10 -1.59 0.27 117.51 121.26 3dh0 h ILE 12 Ca 0.00 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3dh0 h ILE 12 Cb 0.77 0.29 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 3dh0 h ILE 12 CO 0.00 0.00 0.00 0.50 -1.08 0.00 0.00 178.15 177.57 3dh0 h LYS 13 N 0.01 0.00 0.00 2.19 1.63 -1.88 0.23 116.57 118.74 3dh0 h LYS 13 Ca 0.67 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.47 3dh0 h LYS 13 Cb 2.67 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 34.30 3dh0 h LYS 13 CO -0.02 0.00 0.00 0.87 -3.45 0.00 0.00 179.45 176.85 3dh0 h LYS 14 N 0.00 0.00 0.00 1.90 1.57 -0.84 -2.65 116.57 116.56 3dh0 h LYS 14 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3dh0 h LYS 14 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3dh0 h LYS 14 CO 0.00 0.00 -1.36 1.28 -0.57 0.00 0.00 179.45 178.80 3dh0 n LEU 15 N -2.80 0.56 -2.72 2.94 4.77 0.77 -4.23 117.00 116.29 3dh0 n LEU 15 Ca 0.02 0.22 -0.36 0.00 -0.03 0.00 0.00 56.01 55.86 3dh0 n LEU 15 Cb 0.34 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3dh0 n LEU 15 CO 0.27 -0.11 1.13 -0.67 -1.33 0.00 0.00 177.39 176.68 3dh0 n ASP 16 N -2.54 6.70 -4.27 -1.43 2.03 -1.00 -4.58 116.55 111.46 3dh0 n ASP 16 Ca -0.02 -3.80 -0.36 0.00 0.52 0.00 0.00 54.79 51.13 3dh0 n ASP 16 Cb 0.57 -0.87 -0.13 0.00 -0.72 0.00 0.00 41.12 39.97 3dh0 n ASP 16 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3dh0 s ASP 17 N -1.90 4.85 0.26 1.67 3.68 -1.23 -4.97 116.67 119.04 3dh0 s ASP 17 Ca 0.52 -0.87 0.14 0.00 2.13 0.00 0.00 52.55 54.47 3dh0 s ASP 17 Cb 0.43 -1.79 0.76 0.00 -1.45 0.00 0.00 42.92 40.87 3dh0 s ASP 17 CO -0.31 -0.19 1.36 -0.81 0.13 0.00 0.00 175.17 175.35 3dh0 n PRO 18 N 4.77 0.09 0.00 4.34 -0.04 -1.26 -0.83 135.00 142.06 3dh0 n PRO 18 Ca -0.15 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 3dh0 n PRO 18 Cb 0.47 -1.95 0.81 0.00 -0.04 0.00 0.00 33.50 32.79 3dh0 n PRO 18 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3dh0 n SER 19 N -2.01 0.00 0.27 3.54 3.41 -1.26 -2.84 113.62 114.73 3dh0 n SER 19 Ca -0.01 -0.56 0.16 0.00 -0.26 0.00 0.00 58.87 58.20 3dh0 n SER 19 Cb 0.17 -0.13 0.64 0.00 -0.26 0.00 0.00 64.21 64.63 3dh0 n SER 19 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3dh0 h ARG 20 N 0.00 0.00 -0.03 4.33 2.47 -1.38 -2.47 114.38 117.29 3dh0 h ARG 20 Ca 0.00 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 3dh0 h ARG 20 Cb 0.12 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.44 3dh0 h ARG 20 CO 0.00 0.04 0.04 -0.07 0.56 0.00 0.00 179.97 180.55 3dh0 h LEU 21 N 0.00 0.00 0.00 3.04 3.38 -1.75 0.60 115.31 120.58 3dh0 h LEU 21 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dh0 h LEU 21 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3dh0 h LEU 21 CO 0.01 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 3dh0 n GLU 22 N -3.69 0.03 0.03 1.13 1.02 -0.93 -2.39 120.64 115.84 3dh0 n GLU 22 Ca -0.02 0.31 -0.20 0.00 -0.02 0.00 0.00 57.16 57.23 3dh0 n GLU 22 Cb 0.13 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.91 3dh0 n GLU 22 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3dh0 h LEU 23 N 0.00 0.41 -7.00 -4.62 4.07 -1.09 -3.49 115.31 103.59 3dh0 h LEU 23 Ca 0.00 -0.93 0.20 0.00 0.08 0.00 0.00 57.88 57.24 3dh0 h LEU 23 Cb 0.13 -0.13 -0.23 0.00 1.08 0.00 0.00 40.66 41.51 3dh0 h LEU 23 CO 0.00 1.41 0.79 0.72 -1.08 0.00 0.00 178.44 180.29 3dh0 s PHE 24 N -2.42 -0.16 -0.21 1.13 -0.12 -1.01 -4.11 117.98 111.08 3dh0 s PHE 24 Ca -0.15 0.21 -0.29 0.00 -0.05 0.00 0.00 56.93 56.64 3dh0 s PHE 24 Cb 0.01 0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 3dh0 s PHE 24 CO 0.80 -0.18 1.34 0.34 -0.05 0.00 0.00 175.22 177.47 3dh0 s ASP 25 N -1.50 6.77 0.11 1.98 2.15 -1.26 -4.69 116.67 120.23 3dh0 s ASP 25 Ca 0.06 1.56 -0.31 0.00 0.43 0.00 0.00 52.55 54.29 3dh0 s ASP 25 Cb -0.01 -2.54 -0.11 0.00 -0.30 0.00 0.00 42.92 39.96 3dh0 s ASP 25 CO -0.04 -0.93 1.59 -0.65 -0.17 0.00 0.00 175.17 174.96 3dh0 h PRO 26 N 8.94 -0.66 0.00 4.34 0.11 -1.97 -2.07 132.00 140.68 3dh0 h PRO 26 Ca -0.28 0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 3dh0 h PRO 26 Cb 1.11 0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3dh0 h PRO 26 CO 0.99 -0.44 -0.01 1.05 -0.21 0.00 0.00 178.00 179.38 3dh0 h GLU 27 N -0.69 0.00 0.12 1.05 4.11 -1.95 -2.32 114.58 114.90 3dh0 h GLU 27 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 3dh0 h GLU 27 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3dh0 h GLU 27 CO -0.22 0.01 -0.06 -0.22 0.07 0.00 0.00 179.01 178.59 3dh0 h LYS 28 N 0.00 -0.15 -0.37 1.06 3.64 -1.94 -1.48 116.57 117.33 3dh0 h LYS 28 Ca -0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3dh0 h LYS 28 Cb 0.84 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 3dh0 h LYS 28 CO 0.00 0.17 0.24 0.28 -2.27 0.00 0.00 179.45 177.87 3dh0 h VAL 29 N -0.49 1.09 0.01 2.00 2.07 -1.34 -2.07 116.25 117.51 3dh0 h VAL 29 Ca -0.02 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3dh0 h VAL 29 Cb 0.39 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3dh0 h VAL 29 CO 0.03 0.09 -0.00 -0.07 0.02 0.00 0.00 177.57 177.63 3dh0 h LEU 30 N 0.49 -0.01 -1.34 2.57 3.38 -1.41 -0.83 115.31 118.16 3dh0 h LEU 30 Ca 0.14 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3dh0 h LEU 30 Cb -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3dh0 h LEU 30 CO -0.04 0.05 0.49 0.50 0.09 0.00 0.00 178.44 179.54 3dh0 h LYS 31 N -0.07 0.77 -0.07 1.13 3.11 -1.21 -0.84 116.57 119.40 3dh0 h LYS 31 Ca -0.00 -0.05 -0.17 0.00 -2.81 0.00 0.00 60.65 57.62 3dh0 h LYS 31 Cb 0.06 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.11 3dh0 h LYS 31 CO 0.00 0.51 -0.71 1.49 -2.81 0.00 0.00 179.45 177.93 3dh0 h GLU 32 N 0.79 0.32 0.00 1.90 4.81 -1.02 -3.05 114.58 118.33 3dh0 h GLU 32 Ca 0.33 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3dh0 h GLU 32 Cb 0.26 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3dh0 h GLU 32 CO -0.11 0.90 0.00 1.19 -0.73 0.00 0.00 179.01 180.26 3dh0 n PHE 33 N -3.82 0.00 0.00 0.92 3.01 -0.35 -4.92 117.46 112.30 3dh0 n PHE 33 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 3dh0 n PHE 33 Cb 0.69 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 40.06 3dh0 n PHE 33 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dh0 n GLY 34 N 1.08 0.85 3.72 1.37 0.00 -0.82 -4.99 105.19 106.39 3dh0 n GLY 34 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3dh0 n GLY 34 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dh0 s LEU 35 N 0.00 4.37 0.21 0.99 2.96 -0.94 -4.99 118.68 121.28 3dh0 s LEU 35 Ca 0.00 2.33 0.04 0.00 -0.22 0.00 0.00 54.13 56.28 3dh0 s LEU 35 Cb 0.00 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 3dh0 s LEU 35 CO 0.00 -0.64 -0.04 -0.54 -1.32 0.00 0.00 176.35 173.81 3dh0 s LYS 36 N 0.99 1.27 0.32 1.98 1.02 -1.26 -4.61 119.74 119.43 3dh0 s LYS 36 Ca 0.64 -1.61 -0.29 0.00 0.02 0.00 0.00 55.97 54.73 3dh0 s LYS 36 Cb -0.37 -0.65 -0.12 0.00 -0.52 0.00 0.00 37.83 36.17 3dh0 s LYS 36 CO 0.31 -0.03 1.41 -1.91 -0.92 0.00 0.00 175.35 174.21 3dh0 n GLU 37 N -0.36 2.33 0.00 1.68 2.13 -1.12 -1.92 120.64 123.39 3dh0 n GLU 37 Ca -0.07 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3dh0 n GLU 37 Cb 0.63 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.85 3dh0 n GLU 37 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dh0 n GLY 38 N 1.23 3.19 3.77 8.31 0.00 0.17 -4.95 105.19 116.91 3dh0 n GLY 38 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3dh0 n GLY 38 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dh0 s MET 39 N -0.43 3.77 -0.25 1.61 -1.94 -0.81 -4.25 119.30 117.01 3dh0 s MET 39 Ca 0.00 2.03 -0.12 0.00 -1.71 0.00 0.00 55.69 55.89 3dh0 s MET 39 Cb 0.00 -2.57 -0.05 0.00 2.01 0.00 0.00 34.83 34.23 3dh0 s MET 39 CO 0.00 -0.61 0.25 0.99 -0.01 0.00 0.00 175.02 175.64 3dh0 s THR 40 N -1.36 5.28 -0.02 2.05 2.01 -1.26 -2.81 115.64 119.53 3dh0 s THR 40 Ca 0.61 0.35 0.06 0.00 0.31 0.00 0.00 61.69 63.02 3dh0 s THR 40 Cb -0.35 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 3dh0 s THR 40 CO 0.44 0.26 -0.20 0.54 -0.69 0.00 0.00 174.62 174.97 3dh0 s VAL 41 N 1.50 2.55 -0.20 3.82 0.11 -0.14 -1.05 120.40 126.99 3dh0 s VAL 41 Ca 0.11 -0.99 -0.07 0.00 -2.93 0.00 0.00 61.98 58.10 3dh0 s VAL 41 Cb -0.15 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.70 3dh0 s VAL 41 CO 0.08 0.54 0.05 -0.22 -3.33 0.00 0.00 175.10 172.21 3dh0 s LEU 42 N -0.82 3.62 -0.44 2.54 2.96 0.36 -0.75 118.68 126.15 3dh0 s LEU 42 Ca 0.11 -0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 53.92 3dh0 s LEU 42 Cb -0.10 -1.92 0.11 0.00 0.50 0.00 0.00 46.19 44.77 3dh0 s LEU 42 CO 0.01 0.11 0.27 -0.62 -1.32 0.00 0.00 176.35 174.80 3dh0 s ASP 43 N 0.73 5.50 0.00 3.68 2.15 0.12 -0.31 116.67 128.52 3dh0 s ASP 43 Ca 0.03 -1.90 0.00 0.00 0.43 0.00 0.00 52.55 51.11 3dh0 s ASP 43 Cb -0.14 -1.93 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 3dh0 s ASP 43 CO 0.02 -0.61 0.76 0.52 -0.17 0.00 0.00 175.17 175.69 3dh0 n VAL 44 N 4.78 0.00 -2.63 1.11 0.31 -0.89 -1.99 118.33 119.02 3dh0 n VAL 44 Ca -0.06 1.26 -0.43 0.00 -0.01 0.00 0.00 64.34 65.10 3dh0 n VAL 44 Cb 0.41 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 3dh0 n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dh0 n GLY 45 N -0.77 4.23 0.36 2.92 0.00 -1.26 -3.78 105.19 106.89 3dh0 n GLY 45 Ca 0.00 -2.10 0.17 0.00 0.00 0.00 0.00 46.02 44.09 3dh0 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dh0 h THR 46 N 4.08 0.80 0.00 2.61 1.03 -1.42 -3.46 112.91 116.54 3dh0 h THR 46 Ca 0.35 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.72 3dh0 h THR 46 Cb 0.73 0.70 0.00 0.00 -1.07 0.00 0.00 68.15 68.51 3dh0 h THR 46 CO 1.45 0.02 0.00 0.61 -0.01 0.00 0.00 175.52 177.59 3dh0 n GLY 47 N -1.60 2.46 0.05 2.99 0.00 -1.26 0.01 105.19 107.84 3dh0 n GLY 47 Ca 0.08 0.36 0.13 0.00 0.00 0.00 0.00 46.02 46.59 3dh0 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dh0 n ALA 48 N 10.48 2.63 -1.26 4.61 0.00 -1.26 -4.23 120.51 131.47 3dh0 n ALA 48 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3dh0 n ALA 48 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 3dh0 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dh0 n GLY 49 N 1.39 0.74 0.37 0.00 0.00 0.10 -4.00 105.19 103.80 3dh0 n GLY 49 Ca 0.05 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 3dh0 n GLY 49 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dh0 h PHE 50 N 0.00 -0.95 0.00 1.61 3.57 -1.81 -2.46 116.94 116.90 3dh0 h PHE 50 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3dh0 h PHE 50 Cb 0.53 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3dh0 h PHE 50 CO 0.00 -0.48 0.00 0.66 -2.23 0.00 0.00 178.31 176.26 3dh0 n TYR 51 N -5.45 0.00 -0.33 0.41 4.01 -1.26 -4.07 117.16 110.47 3dh0 n TYR 51 Ca -0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.63 3dh0 n TYR 51 Cb 0.35 -0.08 0.10 0.00 -0.31 0.00 0.00 39.34 39.41 3dh0 n TYR 51 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3dh0 h LEU 52 N 0.00 1.00 -2.17 7.72 3.38 -1.82 -1.66 115.31 121.76 3dh0 h LEU 52 Ca 0.00 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3dh0 h LEU 52 Cb 0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3dh0 h LEU 52 CO 0.00 0.70 0.10 -0.65 0.09 0.00 0.00 178.44 178.69 3dh0 h PRO 53 N 1.17 0.00 0.22 1.13 0.11 -1.75 -0.36 132.00 132.52 3dh0 h PRO 53 Ca 0.34 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 3dh0 h PRO 53 Cb -0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3dh0 h PRO 53 CO -0.09 0.00 -0.10 1.88 -0.21 0.00 0.00 178.00 179.47 3dh0 h TYR 54 N 0.00 -0.27 -0.81 0.65 0.05 -1.60 -2.48 116.97 112.51 3dh0 h TYR 54 Ca 0.06 -0.01 0.16 0.00 0.05 0.00 0.00 58.73 58.99 3dh0 h TYR 54 Cb 0.26 0.09 -0.10 0.00 1.01 0.00 0.00 36.73 37.99 3dh0 h TYR 54 CO 0.00 -0.17 0.36 -0.07 -1.05 0.00 0.00 178.16 177.23 3dh0 h LEU 55 N -0.96 0.36 0.02 3.88 3.38 -1.34 -0.87 115.31 119.78 3dh0 h LEU 55 Ca -0.03 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3dh0 h LEU 55 Cb 0.22 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3dh0 h LEU 55 CO 0.05 0.12 -0.16 -1.28 0.09 0.00 0.00 178.44 177.26 3dh0 h SER 56 N 0.49 -0.46 -0.48 -0.43 0.87 -1.15 -2.63 113.55 109.76 3dh0 h SER 56 Ca 0.46 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 61.11 3dh0 h SER 56 Cb 0.72 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 3dh0 h SER 56 CO -0.42 -0.22 0.28 0.50 -0.53 0.00 0.00 176.83 176.44 3dh0 h LYS 57 N -0.27 0.54 0.00 2.24 3.64 -0.74 -2.61 116.57 119.37 3dh0 h LYS 57 Ca 0.05 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3dh0 h LYS 57 Cb 0.33 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3dh0 h LYS 57 CO -0.14 0.36 -0.02 0.52 -2.27 0.00 0.00 179.45 177.90 3dh0 h MET 58 N 0.56 0.00 0.00 1.90 2.86 -0.96 -2.76 114.93 116.53 3dh0 h MET 58 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3dh0 h MET 58 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3dh0 h MET 58 CO -0.09 0.02 -1.78 1.33 1.06 0.00 0.00 176.91 177.44 3dh0 n VAL 59 N -3.14 0.08 -1.44 -2.22 0.24 -1.02 -2.79 118.33 108.05 3dh0 n VAL 59 Ca -0.01 -0.46 0.11 0.00 -2.04 0.00 0.00 64.34 61.95 3dh0 n VAL 59 Cb 0.24 0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.62 3dh0 n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dh0 n GLY 60 N 1.27 -1.94 0.43 7.63 0.00 -0.99 -0.66 105.19 110.94 3dh0 n GLY 60 Ca -0.03 -1.27 0.29 0.00 0.00 0.00 0.00 46.02 45.02 3dh0 n GLY 60 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3dh0 h GLU 61 N 0.00 0.24 0.00 1.61 4.11 -1.89 -0.70 114.58 117.95 3dh0 h GLU 61 Ca 0.02 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 59.27 3dh0 h GLU 61 Cb 0.76 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3dh0 h GLU 61 CO 0.01 0.16 -0.80 0.87 0.07 0.00 0.00 179.01 179.31 3dh0 h LYS 62 N 0.25 0.00 0.00 1.06 6.56 -1.96 -3.48 116.57 119.01 3dh0 h LYS 62 Ca 0.69 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 60.12 3dh0 h LYS 62 Cb 1.98 0.00 0.05 0.00 -0.57 0.00 0.00 32.23 33.69 3dh0 h LYS 62 CO -0.34 0.76 0.10 0.41 -2.06 0.00 0.00 179.45 178.32 3dh0 n GLY 63 N 1.30 -0.42 3.23 3.86 0.00 -0.27 -4.73 105.19 108.16 3dh0 n GLY 63 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 3dh0 n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dh0 s LYS 64 N -3.75 0.64 -0.18 1.61 2.20 -1.12 -4.86 119.74 114.28 3dh0 s LYS 64 Ca 0.26 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 3dh0 s LYS 64 Cb -0.01 0.28 0.04 0.00 -1.51 0.00 0.00 37.83 36.63 3dh0 s LYS 64 CO 0.18 -0.17 -0.08 0.08 -0.36 0.00 0.00 175.35 174.99 3dh0 s VAL 65 N -1.22 1.40 -0.34 4.02 1.01 -0.30 -0.97 120.40 124.00 3dh0 s VAL 65 Ca -0.13 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 3dh0 s VAL 65 Cb -0.05 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3dh0 s VAL 65 CO 0.04 0.17 0.34 -0.31 0.00 0.00 0.00 175.10 175.33 3dh0 s TYR 66 N 1.51 3.21 -0.44 5.22 2.02 0.07 -0.19 117.35 128.75 3dh0 s TYR 66 Ca -0.00 -0.06 -0.09 0.00 -0.37 0.00 0.00 57.07 56.55 3dh0 s TYR 66 Cb -0.16 -2.63 0.10 0.00 -0.40 0.00 0.00 41.96 38.87 3dh0 s TYR 66 CO -0.08 -0.42 0.29 0.00 -1.57 0.00 0.00 175.55 173.77 3dh0 s ALA 67 N 1.96 3.33 0.46 3.71 0.00 -0.16 -0.71 121.76 130.35 3dh0 s ALA 67 Ca 0.11 -2.32 0.08 0.00 0.00 0.00 0.00 51.96 49.82 3dh0 s ALA 67 Cb -0.17 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.26 3dh0 s ALA 67 CO 0.11 -1.76 0.62 0.96 0.00 0.00 0.00 175.76 175.70 3dh0 s ILE 68 N 1.39 2.82 0.00 0.00 -4.36 -0.84 -0.87 121.20 119.34 3dh0 s ILE 68 Ca 0.04 -0.98 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 3dh0 s ILE 68 Cb -0.24 -2.83 0.00 0.00 1.25 0.00 0.00 42.46 40.63 3dh0 s ILE 68 CO 0.01 0.00 0.00 -0.67 0.24 0.00 0.00 174.94 174.52 3dh0 n ASP 69 N -1.95 0.00 0.27 4.36 -0.08 -1.15 -1.74 116.55 116.26 3dh0 n ASP 69 Ca 0.10 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.51 3dh0 n ASP 69 Cb 0.60 0.00 0.75 0.00 2.34 0.00 0.00 41.12 44.80 3dh0 n ASP 69 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 3dh0 h VAL 70 N 0.00 0.44 -3.53 5.18 -1.51 -1.88 -1.59 116.25 113.36 3dh0 h VAL 70 Ca 0.00 -0.53 -0.61 0.00 -1.23 0.00 0.00 66.70 64.33 3dh0 h VAL 70 Cb 0.00 1.37 -0.12 0.00 -2.13 0.00 0.00 31.29 30.41 3dh0 h VAL 70 CO 0.00 0.10 -0.23 -1.10 -1.23 0.00 0.00 177.57 175.11 3dh0 s GLN 71 N -4.08 4.14 0.26 5.19 -0.21 -1.26 -4.73 119.66 118.97 3dh0 s GLN 71 Ca -0.02 0.13 -0.03 0.00 0.02 0.00 0.00 55.36 55.46 3dh0 s GLN 71 Cb 0.12 -3.56 0.39 0.00 1.00 0.00 0.00 33.01 30.97 3dh0 s GLN 71 CO 0.57 -0.07 1.87 1.49 -2.12 0.00 0.00 175.29 177.03 3dh0 h GLU 72 N 7.51 1.09 -0.65 2.91 4.81 -1.95 -1.28 114.58 127.02 3dh0 h GLU 72 Ca -0.35 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.76 3dh0 h GLU 72 Cb 1.16 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 3dh0 h GLU 72 CO 0.70 0.72 0.20 1.05 -0.73 0.00 0.00 179.01 180.95 3dh0 h GLU 73 N 1.12 0.99 -0.21 1.92 9.09 -1.97 -1.14 114.58 124.38 3dh0 h GLU 73 Ca 0.42 -0.20 -0.14 0.00 0.05 0.00 0.00 59.36 59.50 3dh0 h GLU 73 Cb 0.17 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 3dh0 h GLU 73 CO -0.18 0.85 -0.44 0.52 0.05 0.00 0.00 179.01 179.82 3dh0 h MET 74 N 0.96 0.52 -0.01 1.06 2.86 -1.66 -2.30 114.93 116.36 3dh0 h MET 74 Ca 0.21 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3dh0 h MET 74 Cb 0.27 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 3dh0 h MET 74 CO -0.01 0.86 0.00 0.28 1.06 0.00 0.00 176.91 179.11 3dh0 h VAL 75 N 0.43 1.13 0.00 -2.22 2.07 -0.60 -1.52 116.25 115.54 3dh0 h VAL 75 Ca 0.03 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3dh0 h VAL 75 Cb 0.94 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3dh0 h VAL 75 CO 0.08 0.10 -0.33 0.78 0.02 0.00 0.00 177.57 178.21 3dh0 h ASN 76 N -0.15 0.00 -0.09 0.57 2.35 -1.20 -1.21 115.58 115.86 3dh0 h ASN 76 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3dh0 h ASN 76 Cb 0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3dh0 h ASN 76 CO -0.00 0.33 -0.12 0.22 -1.65 0.00 0.00 177.43 176.21 3dh0 h TYR 77 N 0.00 0.29 -0.50 1.19 3.20 -1.26 -2.17 116.97 117.73 3dh0 h TYR 77 Ca -0.00 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.73 3dh0 h TYR 77 Cb 0.67 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 3dh0 h TYR 77 CO 0.00 0.71 0.13 0.00 -1.64 0.00 0.00 178.16 177.36 3dh0 h ALA 78 N 0.53 1.30 0.19 1.82 0.00 -1.12 -1.93 119.26 120.06 3dh0 h ALA 78 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3dh0 h ALA 78 Cb 0.67 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dh0 h ALA 78 CO 0.03 0.49 -0.09 2.35 0.00 0.00 0.00 179.25 182.03 3dh0 h TRP 79 N 0.72 -0.24 -0.10 0.00 -0.00 -1.17 -1.73 115.95 113.44 3dh0 h TRP 79 Ca 0.16 -0.01 0.03 0.00 -0.00 0.00 0.00 58.89 59.08 3dh0 h TRP 79 Cb 0.25 0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 29.48 3dh0 h TRP 79 CO 0.01 -0.02 0.09 1.49 -0.00 0.00 0.00 178.44 180.02 3dh0 h GLU 80 N -0.42 0.00 0.31 2.65 4.81 -1.19 -1.73 114.58 119.01 3dh0 h GLU 80 Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3dh0 h GLU 80 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3dh0 h GLU 80 CO 0.04 0.00 -0.15 -0.22 -0.73 0.00 0.00 179.01 177.95 3dh0 h LYS 81 N 0.00 -0.41 -0.67 1.92 1.63 -0.59 -0.89 116.57 117.56 3dh0 h LYS 81 Ca 0.05 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.97 3dh0 h LYS 81 Cb 0.24 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.92 3dh0 h LYS 81 CO -0.00 -0.10 0.44 -0.39 -3.45 0.00 0.00 179.45 175.95 3dh0 h VAL 82 N -0.72 0.92 -0.00 2.00 -1.51 -0.48 -0.07 116.25 116.39 3dh0 h VAL 82 Ca -0.04 -0.18 -0.17 0.00 -1.23 0.00 0.00 66.70 65.08 3dh0 h VAL 82 Cb 0.49 0.35 -0.02 0.00 -2.13 0.00 0.00 31.29 29.98 3dh0 h VAL 82 CO 0.07 0.10 -0.78 0.78 -1.23 0.00 0.00 177.57 176.50 3dh0 h ASN 83 N 0.52 0.03 0.14 4.19 4.21 -1.36 0.17 115.58 123.47 3dh0 h ASN 83 Ca 0.31 -0.02 -0.18 0.00 1.21 0.00 0.00 56.30 57.62 3dh0 h ASN 83 Cb 0.51 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.69 3dh0 h ASN 83 CO -0.10 0.80 -0.67 0.50 -1.29 0.00 0.00 177.43 176.67 3dh0 h LYS 84 N 0.01 0.49 0.00 0.81 3.64 0.33 -3.23 116.57 118.63 3dh0 h LYS 84 Ca -0.01 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3dh0 h LYS 84 Cb 1.38 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 3dh0 h LYS 84 CO 0.10 0.99 -0.93 1.28 -2.27 0.00 0.00 179.45 178.63 3dh0 n LEU 85 N -3.89 0.65 -0.11 5.20 4.77 -0.19 -4.98 117.00 118.44 3dh0 n LEU 85 Ca -0.04 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3dh0 n LEU 85 Cb 0.67 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3dh0 n LEU 85 CO 0.48 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3dh0 n GLY 86 N 1.33 0.61 3.51 -0.72 0.00 0.43 -5.00 105.19 105.35 3dh0 n GLY 86 Ca 0.02 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 3dh0 n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dh0 s LEU 87 N -0.23 3.78 0.42 0.99 1.43 -0.21 -4.89 118.68 119.98 3dh0 s LEU 87 Ca 0.00 -0.97 0.23 0.00 -1.03 0.00 0.00 54.13 52.36 3dh0 s LEU 87 Cb 0.00 -2.50 0.73 0.00 0.03 0.00 0.00 46.19 44.44 3dh0 s LEU 87 CO 0.00 -1.58 1.74 0.11 0.23 0.00 0.00 176.35 176.85 3dh0 h LYS 88 N 9.72 0.00 -0.63 1.70 1.79 -1.94 -3.27 116.57 123.94 3dh0 h LYS 88 Ca -0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 3dh0 h LYS 88 Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 3dh0 h LYS 88 CO 1.26 0.23 0.00 0.27 -1.08 0.00 0.00 179.45 180.13 3dh0 n ASN 89 N -3.29 3.94 -4.54 0.86 2.04 -1.26 -4.91 115.26 108.10 3dh0 n ASN 89 Ca 0.01 -2.38 -0.34 0.00 -0.44 0.00 0.00 54.58 51.43 3dh0 n ASN 89 Cb 0.49 -0.52 -0.12 0.00 -2.53 0.00 0.00 39.78 37.10 3dh0 n ASN 89 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 3dh0 s VAL 90 N -1.83 3.93 -0.27 3.53 1.01 -1.24 -1.14 120.40 124.39 3dh0 s VAL 90 Ca 0.41 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3dh0 s VAL 90 Cb 0.27 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 34.00 3dh0 s VAL 90 CO 0.19 0.53 -0.08 -0.70 0.00 0.00 0.00 175.10 175.04 3dh0 s GLU 91 N -0.01 2.40 -0.22 2.72 2.56 0.73 -4.96 118.70 121.92 3dh0 s GLU 91 Ca 0.01 -1.26 -0.19 0.00 0.00 0.00 0.00 54.97 53.54 3dh0 s GLU 91 Cb -0.13 -2.97 -0.03 0.00 2.00 0.00 0.00 34.13 33.00 3dh0 s GLU 91 CO 0.03 -0.55 0.53 0.08 -0.56 0.00 0.00 175.26 174.79 3dh0 s VAL 92 N 1.18 5.08 0.11 3.70 1.01 -1.26 -0.99 120.40 129.23 3dh0 s VAL 92 Ca -0.06 0.97 0.08 0.00 0.00 0.00 0.00 61.98 62.96 3dh0 s VAL 92 Cb -0.19 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 3dh0 s VAL 92 CO -0.04 0.14 -0.20 -0.76 0.00 0.00 0.00 175.10 174.25 3dh0 s LEU 93 N 1.85 2.31 -0.38 3.92 1.43 -0.05 -4.95 118.68 122.82 3dh0 s LEU 93 Ca 0.24 -0.70 -0.26 0.00 -1.03 0.00 0.00 54.13 52.38 3dh0 s LEU 93 Cb -0.15 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.26 3dh0 s LEU 93 CO 0.09 0.02 0.93 -0.75 0.23 0.00 0.00 176.35 176.88 3dh0 s LYS 94 N -2.01 3.81 0.33 1.70 2.47 -1.26 -2.92 119.74 121.85 3dh0 s LYS 94 Ca 0.06 0.54 0.05 0.00 -1.56 0.00 0.00 55.97 55.06 3dh0 s LYS 94 Cb -0.09 -3.82 -0.02 0.00 -1.46 0.00 0.00 37.83 32.44 3dh0 s LYS 94 CO 0.04 -0.99 0.47 0.45 0.16 0.00 0.00 175.35 175.49 3dh0 s SER 95 N 1.94 6.07 0.17 1.43 0.15 -0.60 -4.83 113.70 118.02 3dh0 s SER 95 Ca 0.38 -0.00 0.10 0.00 0.70 0.00 0.00 55.95 57.13 3dh0 s SER 95 Cb -0.12 -1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 62.65 3dh0 s SER 95 CO 0.20 -0.36 -0.20 -0.70 1.20 0.00 0.00 173.24 173.37 3dh0 s GLU 96 N -4.19 1.66 0.14 5.44 2.56 -1.15 -3.95 118.70 119.21 3dh0 s GLU 96 Ca 0.42 -1.38 -0.23 0.00 0.00 0.00 0.00 54.97 53.78 3dh0 s GLU 96 Cb -0.09 -1.97 -0.02 0.00 2.00 0.00 0.00 34.13 34.05 3dh0 s GLU 96 CO 0.32 0.43 1.22 -1.91 -0.56 0.00 0.00 175.26 174.76 3dh0 n GLU 97 N 0.41 -0.32 -0.56 4.30 4.07 -1.26 -2.41 120.64 124.87 3dh0 n GLU 97 Ca -0.14 1.20 0.07 0.00 -0.06 0.00 0.00 57.16 58.23 3dh0 n GLU 97 Cb 0.55 -1.76 0.18 0.00 -0.06 0.00 0.00 31.44 30.34 3dh0 n GLU 97 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3dh0 n ASN 98 N -5.02 1.75 -3.81 4.31 4.13 -1.26 -4.91 115.26 110.46 3dh0 n ASN 98 Ca 0.03 -3.58 -0.23 0.00 1.68 0.00 0.00 54.58 52.48 3dh0 n ASN 98 Cb 0.22 -0.49 -0.17 0.00 -1.54 0.00 0.00 39.78 37.80 3dh0 n ASN 98 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3dh0 s LYS 99 N -2.87 0.73 -0.23 3.52 1.02 -1.01 -4.74 119.74 116.15 3dh0 s LYS 99 Ca 0.36 0.03 -0.09 0.00 0.02 0.00 0.00 55.97 56.30 3dh0 s LYS 99 Cb 0.35 -1.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.62 3dh0 s LYS 99 CO -0.06 -0.26 0.10 0.42 -0.92 0.00 0.00 175.35 174.64 3dh0 s ILE 100 N 1.74 4.85 0.00 2.17 1.01 -1.26 -2.94 121.20 126.77 3dh0 s ILE 100 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3dh0 s ILE 100 Cb -0.13 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3dh0 s ILE 100 CO -0.04 0.37 0.69 -0.81 0.00 0.00 0.00 174.94 175.14 3dh0 n PRO 101 N 4.34 0.40 -4.39 2.79 -0.04 -1.26 -4.80 135.00 132.03 3dh0 n PRO 101 Ca -0.16 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.05 3dh0 n PRO 101 Cb 0.52 -1.30 -0.12 0.00 -0.04 0.00 0.00 33.50 32.56 3dh0 n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dh0 s LEU 102 N 0.00 2.43 0.61 1.53 1.02 -1.26 -5.14 118.68 117.88 3dh0 s LEU 102 Ca 0.00 -0.86 -0.12 0.00 0.02 0.00 0.00 54.13 53.17 3dh0 s LEU 102 Cb 0.00 -1.04 -0.04 0.00 0.02 0.00 0.00 46.19 45.13 3dh0 s LEU 102 CO 0.00 0.06 1.03 -2.16 0.02 0.00 0.00 176.35 175.30 3dh0 s PRO 103 N -2.70 3.59 0.81 1.29 0.04 -1.26 -4.84 135.00 131.94 3dh0 s PRO 103 Ca 0.19 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 61.86 3dh0 s PRO 103 Cb -0.07 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3dh0 s PRO 103 CO 0.09 -0.58 0.57 -0.25 0.04 0.00 0.00 177.00 176.87 3dh0 n ASP 104 N -2.66 -1.22 -4.13 6.66 10.43 -1.26 -3.66 116.55 120.72 3dh0 n ASP 104 Ca 0.06 0.50 -0.35 0.00 2.57 0.00 0.00 54.79 57.58 3dh0 n ASP 104 Cb 0.54 -1.25 -0.04 0.00 1.84 0.00 0.00 41.12 42.21 3dh0 n ASP 104 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3dh0 n ASN 105 N -1.01 -1.24 -0.00 -2.24 3.02 -0.02 -4.88 115.26 108.88 3dh0 n ASN 105 Ca 0.09 -1.21 0.02 0.00 -0.03 0.00 0.00 54.58 53.45 3dh0 n ASN 105 Cb 0.51 -2.04 -0.03 0.00 -0.61 0.00 0.00 39.78 37.62 3dh0 n ASN 105 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3dh0 n THR 106 N -4.66 0.00 -5.17 3.41 -2.24 0.92 -4.62 114.28 101.92 3dh0 n THR 106 Ca -0.24 -0.34 -0.32 0.00 -2.27 0.00 0.00 64.05 60.88 3dh0 n THR 106 Cb 0.65 0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 69.63 3dh0 n THR 106 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3dh0 s VAL 107 N -1.60 2.38 -0.19 2.28 -7.23 -0.19 -4.81 120.40 111.02 3dh0 s VAL 107 Ca 0.01 -0.98 0.07 0.00 -1.81 0.00 0.00 61.98 59.28 3dh0 s VAL 107 Cb 0.04 -1.87 -0.22 0.00 0.56 0.00 0.00 36.38 34.89 3dh0 s VAL 107 CO 0.20 0.58 0.06 0.47 -0.31 0.00 0.00 175.10 176.10 3dh0 n ASP 108 N 2.47 1.22 -4.09 4.85 8.00 -0.21 -1.31 116.55 127.48 3dh0 n ASP 108 Ca -0.17 0.02 -0.24 0.00 0.71 0.00 0.00 54.79 55.11 3dh0 n ASP 108 Cb 0.51 0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.49 3dh0 n ASP 108 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3dh0 s PHE 109 N -2.52 1.48 -0.19 1.24 5.36 -0.80 -0.80 117.98 121.75 3dh0 s PHE 109 Ca -0.21 -0.43 0.01 0.00 -0.96 0.00 0.00 56.93 55.34 3dh0 s PHE 109 Cb 0.08 -1.02 0.03 0.00 -0.34 0.00 0.00 43.02 41.77 3dh0 s PHE 109 CO 0.73 -0.16 -0.17 0.42 -1.46 0.00 0.00 175.22 174.58 3dh0 s ILE 110 N 0.15 1.99 -0.22 3.12 1.01 0.13 -0.49 121.20 126.89 3dh0 s ILE 110 Ca -0.05 -1.04 -0.04 0.00 0.00 0.00 0.00 60.65 59.52 3dh0 s ILE 110 Cb -0.11 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 3dh0 s ILE 110 CO 0.02 0.39 -0.05 0.12 0.00 0.00 0.00 174.94 175.42 3dh0 s PHE 111 N 1.29 2.95 -0.46 3.97 5.36 0.57 0.79 117.98 132.44 3dh0 s PHE 111 Ca 0.02 -0.95 0.04 0.00 -0.96 0.00 0.00 56.93 55.07 3dh0 s PHE 111 Cb -0.15 -2.09 0.12 0.00 -0.34 0.00 0.00 43.02 40.56 3dh0 s PHE 111 CO -0.11 -0.55 0.20 1.41 -1.46 0.00 0.00 175.22 174.72 3dh0 s MET 112 N 1.44 1.77 -0.43 10.12 1.75 0.38 -2.10 119.30 132.24 3dh0 s MET 112 Ca 0.05 -2.36 -0.18 0.00 -1.25 0.00 0.00 55.69 51.96 3dh0 s MET 112 Cb -0.14 -3.18 0.02 0.00 2.84 0.00 0.00 34.83 34.37 3dh0 s MET 112 CO -0.03 -1.07 0.47 0.00 -0.65 0.00 0.00 175.02 173.74 3dh0 s ALA 113 N 0.09 3.41 -1.72 4.11 0.00 -1.26 -1.25 121.76 125.15 3dh0 s ALA 113 Ca 0.15 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3dh0 s ALA 113 Cb -0.24 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3dh0 s ALA 113 CO -0.03 -1.63 0.00 1.19 0.00 0.00 0.00 175.76 175.30 3dh0 n PHE 114 N 5.71 -0.88 0.03 0.00 3.01 0.15 -4.81 117.46 120.68 3dh0 n PHE 114 Ca -0.06 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.41 3dh0 n PHE 114 Cb 0.47 -3.63 -0.01 0.00 -0.01 0.00 0.00 39.48 36.30 3dh0 n PHE 114 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 3dh0 n THR 115 N -3.53 0.00 -0.09 4.37 5.66 -1.26 -4.76 114.28 114.66 3dh0 n THR 115 Ca -0.22 -0.18 -0.06 0.00 -3.05 0.00 0.00 64.05 60.54 3dh0 n THR 115 Cb 0.66 0.64 0.01 0.00 -1.55 0.00 0.00 70.33 70.09 3dh0 n THR 115 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 3dh0 h PHE 116 N 0.00 0.11 0.00 1.09 3.57 -1.89 -0.91 116.94 118.91 3dh0 h PHE 116 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3dh0 h PHE 116 Cb 0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3dh0 h PHE 116 CO 0.00 0.02 0.00 -2.39 -2.23 0.00 0.00 178.31 173.71 3dh0 n HIS 117 N -5.09 0.00 1.03 0.41 1.44 -1.26 -2.04 115.22 109.71 3dh0 n HIS 117 Ca 0.01 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.83 3dh0 n HIS 117 Cb 0.15 -0.24 0.03 0.00 0.12 0.00 0.00 29.99 30.05 3dh0 n HIS 117 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3dh0 n GLU 118 N -1.24 0.82 -2.22 -1.40 1.02 -0.35 -4.95 120.64 112.33 3dh0 n GLU 118 Ca 0.04 -0.65 -0.42 0.00 -0.02 0.00 0.00 57.16 56.11 3dh0 n GLU 118 Cb 0.06 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 3dh0 n GLU 118 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3dh0 s LEU 119 N -2.63 4.30 0.09 -4.62 1.43 -0.87 -4.67 118.68 111.72 3dh0 s LEU 119 Ca 0.16 2.09 -0.31 0.00 -1.03 0.00 0.00 54.13 55.04 3dh0 s LEU 119 Cb 0.18 -3.56 -0.14 0.00 0.03 0.00 0.00 46.19 42.70 3dh0 s LEU 119 CO 0.64 -0.75 1.62 0.28 0.23 0.00 0.00 176.35 178.37 3dh0 h SER 120 N 8.07 -0.91 -3.28 2.29 0.02 -1.92 -3.36 113.55 114.47 3dh0 h SER 120 Ca -0.37 0.07 -0.62 0.00 -0.84 0.00 0.00 61.79 60.04 3dh0 h SER 120 Cb 1.17 0.30 -0.41 0.00 0.14 0.00 0.00 62.40 63.60 3dh0 h SER 120 CO 0.92 -0.49 -0.68 -1.61 -1.14 0.00 0.00 176.83 173.82 3dh0 s GLU 121 N -6.01 1.88 0.00 3.45 2.02 -1.26 -5.03 118.70 113.74 3dh0 s GLU 121 Ca -0.17 -2.74 0.00 0.00 0.02 0.00 0.00 54.97 52.08 3dh0 s GLU 121 Cb 0.06 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.44 3dh0 s GLU 121 CO 0.63 -1.25 0.66 -2.30 0.02 0.00 0.00 175.26 173.02 3dh0 n PRO 122 N 2.64 0.00 0.32 0.39 -0.02 -1.26 -1.29 135.00 135.77 3dh0 n PRO 122 Ca 0.17 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.43 3dh0 n PRO 122 Cb 0.37 -1.15 0.68 0.00 -0.02 0.00 0.00 33.50 33.38 3dh0 n PRO 122 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 3dh0 h LEU 123 N 0.00 0.00 0.02 2.45 -0.00 -1.96 0.86 115.31 116.68 3dh0 h LEU 123 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.60 3dh0 h LEU 123 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 3dh0 h LEU 123 CO 0.00 0.00 -1.57 0.50 -0.00 0.00 0.00 178.44 177.37 3dh0 h LYS 124 N 0.00 0.04 -0.09 0.17 3.64 -1.87 -3.05 116.57 115.41 3dh0 h LYS 124 Ca 0.00 -0.07 -0.24 0.00 -1.27 0.00 0.00 60.65 59.07 3dh0 h LYS 124 Cb 0.79 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3dh0 h LYS 124 CO 0.00 0.70 -0.88 0.35 -2.27 0.00 0.00 179.45 177.36 3dh0 h PHE 125 N 0.01 1.00 -0.80 1.91 3.04 0.19 -3.04 116.94 119.24 3dh0 h PHE 125 Ca -0.23 -0.48 0.08 0.00 3.98 0.00 0.00 57.97 61.31 3dh0 h PHE 125 Cb 1.97 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 40.29 3dh0 h PHE 125 CO 0.01 1.31 0.52 -0.07 -2.02 0.00 0.00 178.31 178.06 3dh0 h LEU 126 N 0.45 0.72 -0.27 0.59 -0.00 -0.51 0.73 115.31 117.03 3dh0 h LEU 126 Ca -0.08 0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.75 3dh0 h LEU 126 Cb 1.51 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 42.02 3dh0 h LEU 126 CO 0.17 0.45 -0.05 -0.33 -0.00 0.00 0.00 178.44 178.68 3dh0 h GLU 127 N 0.81 0.52 -0.77 1.13 4.39 -1.47 -2.44 114.58 116.76 3dh0 h GLU 127 Ca 0.35 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.88 3dh0 h GLU 127 Cb 0.32 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 3dh0 h GLU 127 CO -0.13 0.72 0.51 1.49 -1.16 0.00 0.00 179.01 180.44 3dh0 h GLU 128 N 0.28 0.99 -0.75 2.33 4.57 -1.21 -2.57 114.58 118.21 3dh0 h GLU 128 Ca 0.07 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3dh0 h GLU 128 Cb 0.52 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 3dh0 h GLU 128 CO 0.02 0.65 0.47 -0.07 -1.18 0.00 0.00 179.01 178.91 3dh0 h LEU 129 N 1.02 0.89 -1.08 1.64 3.38 -0.48 -2.69 115.31 117.99 3dh0 h LEU 129 Ca 0.29 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 3dh0 h LEU 129 Cb -0.08 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3dh0 h LEU 129 CO -0.07 0.67 0.21 0.11 0.09 0.00 0.00 178.44 179.45 3dh0 h LYS 130 N 1.02 0.87 0.27 1.13 1.57 -1.04 -1.65 116.57 118.74 3dh0 h LYS 130 Ca 0.27 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3dh0 h LYS 130 Cb -0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3dh0 h LYS 130 CO -0.05 0.73 -0.30 -0.09 -0.57 0.00 0.00 179.45 179.16 3dh0 h ARG 131 N 0.85 -0.60 0.00 3.15 2.43 -1.33 -1.74 114.38 117.14 3dh0 h ARG 131 Ca 0.20 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3dh0 h ARG 131 Cb 0.21 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3dh0 h ARG 131 CO -0.01 -0.40 0.00 -0.39 -1.51 0.00 0.00 179.97 177.66 3dh0 h VAL 132 N -0.62 0.00 -3.66 0.20 -1.51 -1.45 -0.02 116.25 109.19 3dh0 h VAL 132 Ca -0.01 -0.46 -0.50 0.00 -1.23 0.00 0.00 66.70 64.50 3dh0 h VAL 132 Cb 0.58 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.13 3dh0 h VAL 132 CO -0.08 0.00 0.36 0.00 -1.23 0.00 0.00 177.57 176.62 3dh0 s ALA 133 N -3.58 3.30 0.87 5.19 0.00 -0.63 -0.06 121.76 126.85 3dh0 s ALA 133 Ca 0.02 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 3dh0 s ALA 133 Cb 0.09 -3.25 0.11 0.00 0.00 0.00 0.00 23.12 20.08 3dh0 s ALA 133 CO 0.52 0.09 1.09 0.15 0.00 0.00 0.00 175.76 177.61 3dh0 s LYS 134 N -0.63 1.48 0.55 0.00 1.02 -0.42 -3.87 119.74 117.86 3dh0 s LYS 134 Ca 0.44 1.00 0.30 0.00 0.02 0.00 0.00 55.97 57.73 3dh0 s LYS 134 Cb -0.25 -1.82 1.46 0.00 -0.52 0.00 0.00 37.83 36.70 3dh0 s LYS 134 CO 0.31 -2.14 1.90 -1.35 -0.92 0.00 0.00 175.35 173.16 3dh0 h PRO 135 N -1.48 0.00 0.00 -1.68 0.11 -1.90 -3.25 132.00 123.80 3dh0 h PRO 135 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dh0 h PRO 135 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3dh0 h PRO 135 CO 0.52 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.50 3dh0 n PHE 136 N -4.15 0.00 -1.54 0.65 3.01 -1.26 -4.59 117.46 109.58 3dh0 n PHE 136 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 3dh0 n PHE 136 Cb 0.84 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.31 3dh0 n PHE 136 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dh0 n ALA 137 N -1.95 -1.24 -2.66 4.37 0.00 -1.23 -3.53 120.51 114.27 3dh0 n ALA 137 Ca 0.00 0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 3dh0 n ALA 137 Cb 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 3dh0 n ALA 137 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3dh0 s TYR 138 N -1.56 3.06 -0.21 0.00 1.51 0.02 -1.18 117.35 119.00 3dh0 s TYR 138 Ca 0.00 0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.14 3dh0 s TYR 138 Cb 0.00 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.16 3dh0 s TYR 138 CO 0.00 0.44 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.59 3dh0 s LEU 139 N -1.28 2.58 -0.37 -1.29 2.96 0.44 -0.70 118.68 121.02 3dh0 s LEU 139 Ca 0.17 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 3dh0 s LEU 139 Cb -0.11 -1.60 0.08 0.00 0.50 0.00 0.00 46.19 45.06 3dh0 s LEU 139 CO 0.07 -0.03 0.15 0.00 -1.32 0.00 0.00 176.35 175.22 3dh0 s ALA 140 N 1.36 3.07 -0.24 5.97 0.00 0.24 -1.64 121.76 130.51 3dh0 s ALA 140 Ca 0.04 -2.22 -0.07 0.00 0.00 0.00 0.00 51.96 49.71 3dh0 s ALA 140 Cb -0.14 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 3dh0 s ALA 140 CO -0.08 -1.60 0.05 0.42 0.00 0.00 0.00 175.76 174.54 3dh0 s ILE 141 N 1.22 4.17 -0.14 0.00 1.01 -1.06 -0.47 121.20 125.94 3dh0 s ILE 141 Ca 0.03 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.49 3dh0 s ILE 141 Cb -0.22 -2.94 0.01 0.00 0.01 0.00 0.00 42.46 39.32 3dh0 s ILE 141 CO -0.02 0.36 -0.22 -0.63 0.00 0.00 0.00 174.94 174.43 3dh0 s ILE 142 N 1.52 2.05 0.22 2.92 1.01 -0.38 -1.23 121.20 127.31 3dh0 s ILE 142 Ca 0.06 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 3dh0 s ILE 142 Cb -0.15 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 3dh0 s ILE 142 CO 0.03 0.55 0.39 -0.62 0.00 0.00 0.00 174.94 175.29 3dh0 s ASP 143 N 0.77 -0.04 0.69 3.58 -1.08 -1.03 0.34 116.67 119.90 3dh0 s ASP 143 Ca -0.08 -0.94 -0.15 0.00 -0.52 0.00 0.00 52.55 50.85 3dh0 s ASP 143 Cb -0.16 0.52 0.02 0.00 -1.46 0.00 0.00 42.92 41.85 3dh0 s ASP 143 CO -0.01 -1.04 1.17 0.26 0.52 0.00 0.00 175.17 176.07 3dh0 s TRP 144 N -4.01 2.30 0.64 -5.34 0.52 -1.26 -0.82 118.94 110.96 3dh0 s TRP 144 Ca 0.22 1.58 -0.15 0.00 0.02 0.00 0.00 56.10 57.78 3dh0 s TRP 144 Cb 0.01 -3.35 -0.01 0.00 -1.15 0.00 0.00 33.47 28.97 3dh0 s TRP 144 CO 0.06 -2.21 1.08 0.21 0.02 0.00 0.00 176.95 176.11 3dh0 s LYS 145 N -3.93 3.05 -0.61 4.98 2.47 0.16 -4.72 119.74 121.14 3dh0 s LYS 145 Ca 0.72 1.23 -0.02 0.00 -1.56 0.00 0.00 55.97 56.34 3dh0 s LYS 145 Cb -0.26 -1.99 0.33 0.00 -1.46 0.00 0.00 37.83 34.45 3dh0 s LYS 145 CO 0.43 -1.03 2.12 1.17 0.16 0.00 0.00 175.35 178.20 3dh0 n LYS 146 N -2.36 2.49 0.00 4.03 4.81 -1.26 -4.82 118.16 121.05 3dh0 n LYS 146 Ca 0.09 -2.87 0.00 0.00 -0.87 0.00 0.00 58.31 54.66 3dh0 n LYS 146 Cb 0.53 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.45 3dh0 n LYS 146 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3dh0 n GLU 147 N -0.36 3.45 -5.00 1.64 0.28 -1.26 -4.94 120.64 114.46 3dh0 n GLU 147 Ca 0.53 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 57.25 3dh0 n GLU 147 Cb 0.53 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.25 3dh0 n GLU 147 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3dh0 s GLU 148 N 3.13 1.86 0.05 3.44 2.02 -1.26 -4.24 118.70 123.69 3dh0 s GLU 148 Ca 0.00 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.28 3dh0 s GLU 148 Cb 0.00 -1.69 -0.03 0.00 0.10 0.00 0.00 34.13 32.52 3dh0 s GLU 148 CO 0.00 0.37 -0.06 1.03 0.02 0.00 0.00 175.26 176.61 3dh0 s ARG 149 N -0.25 0.54 -0.21 1.61 0.52 -1.26 -5.03 118.95 114.86 3dh0 s ARG 149 Ca 0.02 -0.86 -0.02 0.00 -0.52 0.00 0.00 55.73 54.36 3dh0 s ARG 149 Cb -0.10 -0.17 0.06 0.00 0.52 0.00 0.00 34.95 35.27 3dh0 s ARG 149 CO 0.01 0.01 2.38 -0.40 0.02 0.00 0.00 175.30 177.32 3dh0 n ASP 150 N 1.15 6.01 0.00 0.23 5.75 -1.26 -3.73 116.55 124.69 3dh0 n ASP 150 Ca -0.21 -2.84 0.00 0.00 -0.01 0.00 0.00 54.79 51.74 3dh0 n ASP 150 Cb 0.56 -1.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 3dh0 n ASP 150 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3dh0 n LYS 151 N 1.05 0.00 -4.48 0.11 3.00 -1.26 -5.17 118.16 111.41 3dh0 n LYS 151 Ca 0.27 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.33 3dh0 n LYS 151 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.53 3dh0 n LYS 151 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3dh0 s GLY 152 N 0.00 2.09 0.91 3.14 0.00 -1.24 -5.13 107.32 107.08 3dh0 s GLY 152 Ca 0.00 -2.01 -0.13 0.00 0.00 0.00 0.00 44.72 42.59 3dh0 s GLY 152 CO 0.00 -1.98 0.63 -1.55 0.00 0.00 0.00 173.10 170.19 3dh0 n PRO 153 N -0.79 -0.22 -1.60 2.90 -0.04 -1.26 -4.69 135.00 129.30 3dh0 n PRO 153 Ca -0.05 -0.01 -0.45 0.00 -0.04 0.00 0.00 63.50 62.95 3dh0 n PRO 153 Cb 0.62 -2.00 -0.02 0.00 -0.04 0.00 0.00 33.50 32.06 3dh0 n PRO 153 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3dh0 n PRO 154 N -2.20 1.45 -0.32 0.54 -0.04 -1.26 -4.90 135.00 128.26 3dh0 n PRO 154 Ca 0.09 0.51 0.03 0.00 -0.04 0.00 0.00 63.50 64.09 3dh0 n PRO 154 Cb 0.53 -1.95 0.22 0.00 -0.04 0.00 0.00 33.50 32.26 3dh0 n PRO 154 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3dh0 h PRO 155 N 2.48 1.05 0.00 0.54 0.13 -1.91 -1.04 132.00 133.26 3dh0 h PRO 155 Ca -0.41 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3dh0 h PRO 155 Cb 1.33 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3dh0 h PRO 155 CO 0.64 0.69 0.00 0.39 -0.23 0.00 0.00 178.00 179.49 3dh0 n GLU 156 N -4.49 0.03 0.00 0.86 4.71 -1.26 -1.41 120.64 119.08 3dh0 n GLU 156 Ca 0.14 0.28 0.13 0.00 -0.01 0.00 0.00 57.16 57.70 3dh0 n GLU 156 Cb 0.19 -1.50 0.35 0.00 -1.01 0.00 0.00 31.44 29.46 3dh0 n GLU 156 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3dh0 n GLU 157 N -1.47 1.15 -4.34 3.49 1.02 -0.39 -4.94 120.64 115.17 3dh0 n GLU 157 Ca 0.03 -0.74 -0.17 0.00 -0.02 0.00 0.00 57.16 56.26 3dh0 n GLU 157 Cb 0.13 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 3dh0 n GLU 157 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dh0 s VAL 158 N -2.36 0.97 0.44 2.62 0.11 -0.50 -4.92 120.40 116.76 3dh0 s VAL 158 Ca 0.27 -2.02 0.02 0.00 -2.93 0.00 0.00 61.98 57.32 3dh0 s VAL 158 Cb 0.20 -2.41 0.00 0.00 -1.53 0.00 0.00 36.38 32.63 3dh0 s VAL 158 CO 0.47 -0.26 0.63 -0.31 -3.33 0.00 0.00 175.10 172.31 3dh0 s TYR 159 N -3.46 3.11 0.16 1.54 1.51 -1.26 -4.97 117.35 113.98 3dh0 s TYR 159 Ca 0.30 0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.46 3dh0 s TYR 159 Cb 0.06 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 3dh0 s TYR 159 CO 0.10 -0.37 0.07 -1.54 -1.11 0.00 0.00 175.55 172.71 3dh0 s SER 160 N -4.25 5.22 0.50 2.29 1.04 -1.26 -4.29 113.70 112.95 3dh0 s SER 160 Ca 0.49 -0.22 0.33 0.00 0.48 0.00 0.00 55.95 57.04 3dh0 s SER 160 Cb -0.10 -1.28 1.45 0.00 0.10 0.00 0.00 66.02 66.20 3dh0 s SER 160 CO 0.36 0.09 1.75 1.05 0.98 0.00 0.00 173.24 177.48 3dh0 h GLU 161 N 2.66 0.10 0.70 4.02 9.09 -1.97 -0.29 114.58 128.89 3dh0 h GLU 161 Ca -0.47 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 58.90 3dh0 h GLU 161 Cb 1.20 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 28.28 3dh0 h GLU 161 CO 0.61 0.07 -0.34 -1.49 0.05 0.00 0.00 179.01 177.91 3dh0 h TRP 162 N 0.10 -0.87 0.35 2.06 6.55 -2.00 -2.75 115.95 119.40 3dh0 h TRP 162 Ca 0.64 -0.02 -0.00 0.00 0.95 0.00 0.00 58.89 60.45 3dh0 h TRP 162 Cb 2.27 0.29 -0.02 0.00 -0.86 0.00 0.00 29.16 30.84 3dh0 h TRP 162 CO -0.00 -0.51 -0.31 0.93 -1.05 0.00 0.00 178.44 177.50 3dh0 h GLU 163 N -1.10 -0.65 -0.47 0.49 5.08 -1.46 -3.08 114.58 113.40 3dh0 h GLU 163 Ca -0.10 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3dh0 h GLU 163 Cb 0.75 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.08 3dh0 h GLU 163 CO 0.16 -0.43 -0.39 0.28 -1.00 0.00 0.00 179.01 177.62 3dh0 h VAL 164 N -0.67 0.00 0.00 3.13 2.07 -1.48 0.12 116.25 119.42 3dh0 h VAL 164 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3dh0 h VAL 164 Cb 0.60 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3dh0 h VAL 164 CO -0.04 0.00 0.04 0.61 0.02 0.00 0.00 177.57 178.21 3dh0 n GLY 165 N -1.21 -0.50 0.11 2.17 0.00 -1.04 -0.83 105.19 103.88 3dh0 n GLY 165 Ca -0.01 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 3dh0 n GLY 165 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dh0 h LEU 166 N 0.00 0.27 -0.30 0.99 5.85 -0.70 -3.09 115.31 118.33 3dh0 h LEU 166 Ca 0.00 -0.83 0.01 0.00 0.84 0.00 0.00 57.88 57.91 3dh0 h LEU 166 Cb 0.08 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3dh0 h LEU 166 CO 0.00 1.48 0.18 0.40 -0.34 0.00 0.00 178.44 180.16 3dh0 h ILE 167 N -0.53 1.03 -0.92 4.05 2.04 -0.20 0.01 117.51 122.99 3dh0 h ILE 167 Ca -0.25 -0.12 0.14 0.00 1.00 0.00 0.00 64.86 65.63 3dh0 h ILE 167 Cb 1.56 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 3dh0 h ILE 167 CO 0.01 0.07 0.59 -0.07 0.00 0.00 0.00 178.15 178.75 3dh0 h LEU 168 N 0.36 0.72 -0.32 1.44 4.07 -1.39 0.19 115.31 120.38 3dh0 h LEU 168 Ca 0.12 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 3dh0 h LEU 168 Cb 0.00 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 3dh0 h LEU 168 CO -0.06 0.36 0.07 -0.08 -1.08 0.00 0.00 178.44 177.66 3dh0 h GLU 169 N 0.76 0.52 -0.20 1.13 4.81 -0.95 -0.67 114.58 119.98 3dh0 h GLU 169 Ca 0.47 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.60 3dh0 h GLU 169 Cb 0.68 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 3dh0 h GLU 169 CO -0.23 0.59 0.03 -0.44 -0.73 0.00 0.00 179.01 178.23 3dh0 h ASP 170 N 0.37 -0.02 0.13 1.04 3.45 0.13 -0.70 116.42 120.82 3dh0 h ASP 170 Ca 0.10 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.60 3dh0 h ASP 170 Cb 0.31 0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3dh0 h ASP 170 CO 0.00 0.02 0.00 0.00 -1.57 0.00 0.00 179.24 177.69 3dh0 n ALA 171 N -2.29 1.41 0.00 3.45 0.00 -0.13 -4.84 120.51 118.11 3dh0 n ALA 171 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3dh0 n ALA 171 Cb 0.10 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3dh0 n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dh0 n GLY 172 N -0.83 3.34 3.75 0.00 0.00 -0.27 -4.92 105.19 106.27 3dh0 n GLY 172 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3dh0 n GLY 172 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dh0 s ILE 173 N -2.40 2.36 -0.25 -0.61 1.09 -0.34 -4.76 121.20 116.29 3dh0 s ILE 173 Ca 0.00 0.31 -0.18 0.00 -1.10 0.00 0.00 60.65 59.68 3dh0 s ILE 173 Cb 0.00 -3.20 -0.03 0.00 -1.06 0.00 0.00 42.46 38.18 3dh0 s ILE 173 CO 0.00 0.05 0.51 0.00 -0.10 0.00 0.00 174.94 175.40 3dh0 s ARG 174 N -0.55 4.09 -0.13 2.79 1.70 -1.12 -3.95 118.95 121.78 3dh0 s ARG 174 Ca 0.61 0.33 -0.19 0.00 -0.47 0.00 0.00 55.73 56.01 3dh0 s ARG 174 Cb -0.45 -3.63 -0.04 0.00 -0.57 0.00 0.00 34.95 30.26 3dh0 s ARG 174 CO 0.47 -0.31 0.50 0.08 -1.08 0.00 0.00 175.30 174.96 3dh0 s VAL 175 N 2.17 5.17 -0.12 4.99 1.01 -1.26 -1.43 120.40 130.92 3dh0 s VAL 175 Ca 0.22 0.99 0.09 0.00 0.00 0.00 0.00 61.98 63.27 3dh0 s VAL 175 Cb -0.16 -3.84 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 3dh0 s VAL 175 CO 0.09 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3dh0 n GLY 176 N 3.36 -0.51 3.03 4.51 0.00 0.15 -5.00 105.19 110.73 3dh0 n GLY 176 Ca -0.06 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 3dh0 n GLY 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dh0 s ARG 177 N -2.29 0.44 -0.26 1.61 0.52 -1.15 -4.99 118.95 112.82 3dh0 s ARG 177 Ca -0.09 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 54.32 3dh0 s ARG 177 Cb 0.04 0.02 0.13 0.00 0.52 0.00 0.00 34.95 35.66 3dh0 s ARG 177 CO 0.46 -0.04 0.29 0.08 0.02 0.00 0.00 175.30 176.11 3dh0 s VAL 178 N -1.97 -0.42 0.09 3.52 1.01 -1.26 -1.00 120.40 120.37 3dh0 s VAL 178 Ca -0.09 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.66 3dh0 s VAL 178 Cb -0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 3dh0 s VAL 178 CO -0.02 -0.34 -0.22 -0.69 0.00 0.00 0.00 175.10 173.82 3dh0 s VAL 179 N 2.39 1.84 0.47 2.92 1.01 -0.78 -4.96 120.40 123.29 3dh0 s VAL 179 Ca 0.09 -1.52 -0.23 0.00 0.00 0.00 0.00 61.98 60.33 3dh0 s VAL 179 Cb -0.15 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.53 3dh0 s VAL 179 CO -0.25 0.04 1.22 -1.61 0.00 0.00 0.00 175.10 174.50 3dh0 s GLU 180 N -1.77 3.64 -0.38 2.72 2.02 -1.26 -0.22 118.70 123.44 3dh0 s GLU 180 Ca 0.08 1.90 0.02 0.00 0.02 0.00 0.00 54.97 56.99 3dh0 s GLU 180 Cb -0.10 -2.40 0.11 0.00 0.10 0.00 0.00 34.13 31.85 3dh0 s GLU 180 CO 0.04 -0.69 0.14 0.08 0.02 0.00 0.00 175.26 174.85 3dh0 s VAL 181 N -1.47 1.62 -0.91 2.63 1.01 0.22 -4.76 120.40 118.74 3dh0 s VAL 181 Ca 0.65 -2.20 -0.08 0.00 0.00 0.00 0.00 61.98 60.35 3dh0 s VAL 181 Cb -0.32 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 3dh0 s VAL 181 CO 0.38 -0.73 0.72 0.61 0.00 0.00 0.00 175.10 176.08 3dh0 n GLY 182 N 4.13 -1.18 4.61 4.51 0.00 -1.26 -2.11 105.19 113.89 3dh0 n GLY 182 Ca 0.03 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.56 3dh0 n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dh0 n LYS 183 N -2.90 0.00 -0.01 1.61 5.02 -1.26 -4.09 118.16 116.53 3dh0 n LYS 183 Ca -0.13 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.18 3dh0 n LYS 183 Cb 0.59 -1.82 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 3dh0 n LYS 183 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3dh0 n TYR 184 N -0.14 0.00 -4.58 2.13 4.02 -1.25 -4.99 117.16 112.35 3dh0 n TYR 184 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 3dh0 n TYR 184 Cb 0.00 -0.16 -0.09 0.00 -0.02 0.00 0.00 39.34 39.07 3dh0 n TYR 184 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3dh0 s PHE 186 N -3.08 1.71 0.03 0.00 -0.12 -0.00 0.70 117.98 117.22 3dh0 s PHE 186 Ca 0.22 -1.21 -0.07 0.00 -0.05 0.00 0.00 56.93 55.82 3dh0 s PHE 186 Cb 0.04 -1.04 -0.01 0.00 -0.63 0.00 0.00 43.02 41.39 3dh0 s PHE 186 CO 0.12 -0.31 0.12 0.20 -0.05 0.00 0.00 175.22 175.31 3dh0 s GLY 187 N -3.44 0.12 -0.03 1.99 0.00 0.69 -2.45 107.32 104.20 3dh0 s GLY 187 Ca 0.33 -0.43 0.02 0.00 0.00 0.00 0.00 44.72 44.64 3dh0 s GLY 187 CO 0.15 -0.58 -0.07 0.54 0.00 0.00 0.00 173.10 173.14 3dh0 s VAL 188 N -2.45 0.65 -0.26 1.40 0.11 -0.36 -1.86 120.40 117.63 3dh0 s VAL 188 Ca -0.06 -0.27 -0.09 0.00 -2.93 0.00 0.00 61.98 58.63 3dh0 s VAL 188 Cb -0.02 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 3dh0 s VAL 188 CO -0.04 0.21 0.11 -0.47 -3.33 0.00 0.00 175.10 171.59 3dh0 s TYR 189 N 0.31 3.13 0.01 1.54 6.14 -0.17 -2.57 117.35 125.75 3dh0 s TYR 189 Ca -0.04 -0.23 -0.01 0.00 0.64 0.00 0.00 57.07 57.43 3dh0 s TYR 189 Cb -0.09 -2.29 -0.01 0.00 0.42 0.00 0.00 41.96 39.99 3dh0 s TYR 189 CO 0.00 -0.29 -0.01 0.00 0.64 0.00 0.00 175.55 175.90 3dh0 s ALA 190 N 1.67 0.05 -0.07 3.97 0.00 -0.65 -0.68 121.76 126.06 3dh0 s ALA 190 Ca 0.07 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.65 3dh0 s ALA 190 Cb -0.15 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3dh0 s ALA 190 CO 0.06 -0.13 -0.23 1.41 0.00 0.00 0.00 175.76 176.87 3dh0 s MET 191 N -1.15 2.65 -0.01 0.00 1.75 -0.51 0.17 119.30 122.19 3dh0 s MET 191 Ca -0.13 -0.87 -0.28 0.00 -1.25 0.00 0.00 55.69 53.16 3dh0 s MET 191 Cb -0.08 -2.23 -0.03 0.00 2.84 0.00 0.00 34.83 35.33 3dh0 s MET 191 CO -0.01 0.38 0.91 0.42 -0.65 0.00 0.00 175.02 176.07 3dh0 s ILE 192 N -0.14 4.90 -2.47 10.11 1.01 -0.32 -2.80 121.20 131.48 3dh0 s ILE 192 Ca -0.04 1.91 0.28 0.00 0.00 0.00 0.00 60.65 62.81 3dh0 s ILE 192 Cb -0.14 -4.25 0.57 0.00 0.01 0.00 0.00 42.46 38.65 3dh0 s ILE 192 CO 0.04 0.19 1.77 0.52 0.00 0.00 0.00 174.94 177.46