#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ng3 s THR 4 N 0.00 3.01 0.24 3.45 -4.23 -1.26 -4.81 115.64 112.03 3ng3 s THR 4 Ca 0.00 0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.73 3ng3 s THR 4 Cb 0.00 -2.95 0.30 0.00 1.34 0.00 0.00 72.50 71.19 3ng3 s THR 4 CO 0.00 -0.43 1.61 -0.09 -0.54 0.00 0.00 174.62 175.17 3ng3 h ARG 5 N -1.24 0.02 -0.32 3.99 2.43 -1.96 -0.50 114.38 116.81 3ng3 h ARG 5 Ca -0.47 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.58 3ng3 h ARG 5 Cb 1.27 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3ng3 h ARG 5 CO 0.56 0.01 -0.24 0.00 -1.51 0.00 0.00 179.97 178.79 3ng3 h ALA 6 N 1.74 0.45 -0.59 2.80 0.00 -1.92 -1.20 119.26 120.55 3ng3 h ALA 6 Ca 0.37 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ng3 h ALA 6 Cb 0.59 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3ng3 h ALA 6 CO -0.75 0.43 0.27 1.96 0.00 0.00 0.00 179.25 181.16 3ng3 h GLN 7 N 0.48 0.86 -0.41 0.00 4.20 -1.86 -2.23 115.11 116.15 3ng3 h GLN 7 Ca 0.06 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.49 3ng3 h GLN 7 Cb 0.80 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3ng3 h GLN 7 CO 0.06 0.71 -0.31 1.25 -0.67 0.00 0.00 178.83 179.87 3ng3 h LEU 8 N 0.81 0.96 -1.55 1.46 5.85 -1.00 -2.91 115.31 118.93 3ng3 h LEU 8 Ca 0.20 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.52 3ng3 h LEU 8 Cb 0.15 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3ng3 h LEU 8 CO -0.02 1.19 0.31 0.00 -0.34 0.00 0.00 178.44 179.58 3ng3 h ALA 9 N 0.86 1.68 0.00 1.25 0.00 -1.08 -2.45 119.26 119.52 3ng3 h ALA 9 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ng3 h ALA 9 Cb 0.89 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ng3 h ALA 9 CO 0.08 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3ng3 h ALA 10 N 1.71 1.00 -0.00 0.00 0.00 -1.19 -0.59 119.26 120.19 3ng3 h ALA 10 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ng3 h ALA 10 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ng3 h ALA 10 CO -0.04 0.00 -0.47 1.19 0.00 0.00 0.00 179.25 179.93 3ng3 n PHE 11 N -2.51 0.00 -3.65 0.00 3.72 -0.92 -4.18 117.46 109.92 3ng3 n PHE 11 Ca -0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 3ng3 n PHE 11 Cb 0.14 -0.26 -0.07 0.00 -0.94 0.00 0.00 39.48 38.35 3ng3 n PHE 11 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ng3 s VAL 12 N -2.99 5.33 -0.44 -4.37 1.01 -0.25 -1.13 120.40 117.56 3ng3 s VAL 12 Ca 0.11 0.45 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 3ng3 s VAL 12 Cb 0.18 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 33.03 3ng3 s VAL 12 CO 0.69 0.49 0.43 -1.81 0.00 0.00 0.00 175.10 174.89 3ng3 s ASP 13 N -0.17 6.18 -0.32 3.32 1.01 0.36 -1.33 116.67 125.73 3ng3 s ASP 13 Ca 0.16 -0.84 -0.25 0.00 0.71 0.00 0.00 52.55 52.33 3ng3 s ASP 13 Cb -0.13 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.59 3ng3 s ASP 13 CO 0.04 -0.61 0.86 -2.28 0.21 0.00 0.00 175.17 173.40 3ng3 s HIS 14 N 2.05 3.17 -0.09 4.23 2.46 0.15 -2.23 115.29 125.03 3ng3 s HIS 14 Ca 0.10 0.87 0.03 0.00 0.47 0.00 0.00 55.06 56.53 3ng3 s HIS 14 Cb -0.19 -3.37 0.01 0.00 -0.13 0.00 0.00 32.58 28.90 3ng3 s HIS 14 CO 0.12 -0.64 -0.17 0.99 -2.47 0.00 0.00 174.74 172.56 3ng3 s THR 15 N 3.16 1.55 -0.12 0.89 2.01 0.28 -0.86 115.64 122.55 3ng3 s THR 15 Ca 0.35 -0.71 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 3ng3 s THR 15 Cb -0.13 -1.38 0.03 0.00 0.01 0.00 0.00 72.50 71.02 3ng3 s THR 15 CO 0.14 0.45 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.22 3ng3 s LEU 16 N 0.61 1.28 -0.01 4.42 2.96 -0.83 -4.28 118.68 122.82 3ng3 s LEU 16 Ca -0.15 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3ng3 s LEU 16 Cb -0.16 -0.88 0.03 0.00 0.50 0.00 0.00 46.19 45.67 3ng3 s LEU 16 CO 0.05 -0.12 0.79 0.18 -1.32 0.00 0.00 176.35 175.92 3ng3 n LEU 17 N 4.92 0.80 -4.76 -0.68 4.77 -1.26 -3.96 117.00 116.84 3ng3 n LEU 17 Ca -0.13 -1.03 -0.41 0.00 -0.03 0.00 0.00 56.01 54.41 3ng3 n LEU 17 Cb 0.50 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3ng3 n LEU 17 CO 0.17 0.25 0.93 -0.54 -1.33 0.00 0.00 177.39 176.87 3ng3 s LYS 18 N -0.57 4.44 0.51 3.23 1.02 -1.26 -4.90 119.74 122.21 3ng3 s LYS 18 Ca 0.03 2.06 0.20 0.00 0.02 0.00 0.00 55.97 58.27 3ng3 s LYS 18 Cb 0.03 -3.14 1.28 0.00 -0.52 0.00 0.00 37.83 35.48 3ng3 s LYS 18 CO 0.00 -0.10 2.05 -1.35 -0.92 0.00 0.00 175.35 175.04 3ng3 h PRO 19 N 4.08 0.07 -0.07 -1.68 0.11 -2.05 -1.33 132.00 131.14 3ng3 h PRO 19 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ng3 h PRO 19 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ng3 h PRO 19 CO 0.69 0.05 0.00 -0.85 -0.21 0.00 0.00 178.00 177.68 3ng3 n GLU 20 N -4.46 1.30 -2.04 1.05 0.00 -1.26 -4.93 120.64 110.30 3ng3 n GLU 20 Ca 0.05 -0.45 -0.41 0.00 0.00 0.00 0.00 57.16 56.35 3ng3 n GLU 20 Cb 0.36 -1.32 -0.02 0.00 0.00 0.00 0.00 31.44 30.46 3ng3 n GLU 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ng3 s ALA 21 N -1.91 3.62 0.42 -1.84 0.00 -0.50 -5.01 121.76 116.53 3ng3 s ALA 21 Ca 0.28 1.30 0.08 0.00 0.00 0.00 0.00 51.96 53.62 3ng3 s ALA 21 Cb 0.14 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 3ng3 s ALA 21 CO 0.22 -0.71 0.49 0.95 0.00 0.00 0.00 175.76 176.71 3ng3 s THR 22 N 0.03 2.84 0.32 0.00 -4.23 -1.26 -5.00 115.64 108.34 3ng3 s THR 22 Ca 0.59 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 3ng3 s THR 22 Cb -0.41 -2.99 0.19 0.00 1.34 0.00 0.00 72.50 70.63 3ng3 s THR 22 CO 0.42 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.40 3ng3 h ALA 23 N 0.81 1.36 -0.52 3.99 0.00 -1.99 -1.33 119.26 121.58 3ng3 h ALA 23 Ca -0.41 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 3ng3 h ALA 23 Cb 1.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3ng3 h ALA 23 CO 0.50 0.47 0.06 0.00 0.00 0.00 0.00 179.25 180.29 3ng3 h ALA 24 N 1.47 0.69 -0.53 0.00 0.00 -1.99 -1.53 119.26 117.36 3ng3 h ALA 24 Ca 0.18 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ng3 h ALA 24 Cb 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3ng3 h ALA 24 CO -0.01 0.45 0.29 -0.44 0.00 0.00 0.00 179.25 179.53 3ng3 h ASP 25 N 0.75 0.43 -0.68 0.00 3.32 -1.82 -2.28 116.42 116.14 3ng3 h ASP 25 Ca 0.15 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3ng3 h ASP 25 Cb 0.44 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3ng3 h ASP 25 CO 0.01 0.30 0.34 0.58 -1.72 0.00 0.00 179.24 178.76 3ng3 h VAL 26 N 0.56 1.22 -0.50 -1.35 2.07 -1.04 -1.37 116.25 115.84 3ng3 h VAL 26 Ca 0.23 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 3ng3 h VAL 26 Cb 0.10 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3ng3 h VAL 26 CO -0.14 0.26 -0.12 0.00 0.02 0.00 0.00 177.57 177.59 3ng3 h ALA 27 N 1.38 0.83 -0.00 1.67 0.00 -1.00 -1.60 119.26 120.54 3ng3 h ALA 27 Ca 0.24 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3ng3 h ALA 27 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ng3 h ALA 27 CO -0.03 0.65 -0.39 0.00 0.00 0.00 0.00 179.25 179.48 3ng3 h ALA 28 N 1.00 1.35 -0.30 0.00 0.00 -1.18 -1.99 119.26 118.14 3ng3 h ALA 28 Ca 0.13 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3ng3 h ALA 28 Cb 0.67 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3ng3 h ALA 28 CO 0.05 0.49 -0.18 1.25 0.00 0.00 0.00 179.25 180.86 3ng3 h LEU 29 N 0.00 0.68 -0.18 0.00 5.85 -0.60 -1.76 115.31 119.30 3ng3 h LEU 29 Ca -0.00 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 3ng3 h LEU 29 Cb 0.70 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3ng3 h LEU 29 CO 0.05 0.95 0.08 0.58 -0.34 0.00 0.00 178.44 179.76 3ng3 h VAL 30 N 0.40 1.15 -0.37 1.05 2.07 -1.21 0.87 116.25 120.20 3ng3 h VAL 30 Ca 0.06 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.22 3ng3 h VAL 30 Cb 0.72 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3ng3 h VAL 30 CO 0.05 0.14 -0.03 0.74 0.02 0.00 0.00 177.57 178.49 3ng3 h THR 31 N 0.15 0.69 -0.84 2.57 2.02 -1.37 -0.74 112.91 115.39 3ng3 h THR 31 Ca 0.06 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 3ng3 h THR 31 Cb 0.15 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3ng3 h THR 31 CO -0.01 0.01 0.45 -0.08 0.37 0.00 0.00 175.52 176.27 3ng3 h GLU 32 N 0.06 1.18 -0.29 6.66 4.57 -1.20 -2.35 114.58 123.20 3ng3 h GLU 32 Ca 0.18 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3ng3 h GLU 32 Cb 0.26 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 3ng3 h GLU 32 CO -0.33 0.87 0.10 0.00 -1.18 0.00 0.00 179.01 178.47 3ng3 h ALA 33 N 1.24 0.33 -0.29 2.92 0.00 0.25 -1.61 119.26 122.10 3ng3 h ALA 33 Ca 0.29 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 3ng3 h ALA 33 Cb 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ng3 h ALA 33 CO -0.05 -0.31 -0.36 0.00 0.00 0.00 0.00 179.25 178.53 3ng3 h ALA 34 N 1.19 0.82 -0.74 0.00 0.00 -0.99 -2.04 119.26 117.49 3ng3 h ALA 34 Ca 0.13 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3ng3 h ALA 34 Cb 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3ng3 h ALA 34 CO -0.14 0.64 0.41 1.05 0.00 0.00 0.00 179.25 181.22 3ng3 h GLU 35 N 0.55 1.03 0.00 0.00 4.11 -1.20 -2.99 114.58 116.08 3ng3 h GLU 35 Ca 0.05 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.37 3ng3 h GLU 35 Cb 0.88 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3ng3 h GLU 35 CO 0.08 0.76 -0.06 1.28 0.07 0.00 0.00 179.01 181.14 3ng3 n LEU 36 N -4.47 0.06 -1.42 3.06 4.77 -0.63 -4.94 117.00 113.42 3ng3 n LEU 36 Ca 0.07 0.44 -0.11 0.00 -0.03 0.00 0.00 56.01 56.39 3ng3 n LEU 36 Cb 0.09 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 3ng3 n LEU 36 CO 0.38 0.01 -0.05 0.61 -1.33 0.00 0.00 177.39 177.01 3ng3 n GLY 37 N 1.50 0.05 3.79 -0.72 0.00 -0.79 -4.79 105.19 104.24 3ng3 n GLY 37 Ca 0.07 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 3ng3 n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ng3 s VAL 38 N -2.72 2.96 0.05 1.61 -7.23 -1.10 -3.83 120.40 110.14 3ng3 s VAL 38 Ca 0.09 0.31 -0.20 0.00 -1.81 0.00 0.00 61.98 60.38 3ng3 s VAL 38 Cb -0.04 -3.02 -0.13 0.00 0.56 0.00 0.00 36.38 33.75 3ng3 s VAL 38 CO 0.12 -0.41 1.36 0.22 -0.31 0.00 0.00 175.10 176.08 3ng3 h TYR 39 N -1.17 0.47 -3.19 2.82 3.20 -1.00 -3.46 116.97 114.63 3ng3 h TYR 39 Ca -0.47 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 61.22 3ng3 h TYR 39 Cb 1.27 -0.10 -0.13 0.00 1.54 0.00 0.00 36.73 39.31 3ng3 h TYR 39 CO 0.45 0.76 0.03 0.00 -1.64 0.00 0.00 178.16 177.76 3ng3 s ALA 40 N -4.36 -1.20 -0.06 1.82 0.00 -1.01 -4.71 121.76 112.24 3ng3 s ALA 40 Ca -0.14 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 3ng3 s ALA 40 Cb 0.06 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 3ng3 s ALA 40 CO 0.76 -0.67 0.21 0.14 0.00 0.00 0.00 175.76 176.21 3ng3 s VAL 41 N -3.62 5.38 -0.19 0.00 -7.23 -0.73 0.30 120.40 114.32 3ng3 s VAL 41 Ca 0.01 0.25 -0.01 0.00 -1.81 0.00 0.00 61.98 60.42 3ng3 s VAL 41 Cb 0.01 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.45 3ng3 s VAL 41 CO -0.11 0.52 -0.13 0.00 -0.31 0.00 0.00 175.10 175.06 3ng3 s VAL 43 N 1.22 0.59 0.46 0.00 -7.23 -0.65 -1.96 120.40 112.83 3ng3 s VAL 43 Ca 0.03 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.06 3ng3 s VAL 43 Cb -0.14 -2.49 -0.07 0.00 0.56 0.00 0.00 36.38 34.24 3ng3 s VAL 43 CO -0.06 0.00 0.88 -0.44 -0.31 0.00 0.00 175.10 175.17 3ng3 s SER 44 N -3.50 6.58 0.30 4.85 0.01 -1.25 -3.23 113.70 117.46 3ng3 s SER 44 Ca 0.31 1.37 0.04 0.00 1.31 0.00 0.00 55.95 58.97 3ng3 s SER 44 Cb 0.05 -2.42 0.64 0.00 0.21 0.00 0.00 66.02 64.49 3ng3 s SER 44 CO 0.16 -0.50 1.84 -0.65 0.41 0.00 0.00 173.24 174.50 3ng3 h PRO 45 N 1.10 0.87 0.00 12.44 0.11 -1.96 -0.47 132.00 144.09 3ng3 h PRO 45 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ng3 h PRO 45 Cb 1.19 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3ng3 h PRO 45 CO 0.63 0.58 0.00 -0.35 -0.21 0.00 0.00 178.00 178.64 3ng3 n PRO 46 N -4.62 0.02 0.00 1.05 -0.04 -1.26 -2.75 135.00 127.40 3ng3 n PRO 46 Ca 0.19 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 3ng3 n PRO 46 Cb 0.40 -1.53 0.23 0.00 -0.04 0.00 0.00 33.50 32.56 3ng3 n PRO 46 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3ng3 n MET 47 N -1.57 1.18 -0.08 0.54 2.81 -0.19 -4.39 117.12 115.42 3ng3 n MET 47 Ca 0.04 -0.85 -0.08 0.00 -1.81 0.00 0.00 57.70 55.00 3ng3 n MET 47 Cb 0.21 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.22 3ng3 n MET 47 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3ng3 h VAL 48 N 2.07 1.03 -0.97 2.03 2.07 -1.53 -1.36 116.25 119.59 3ng3 h VAL 48 Ca 0.00 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.50 3ng3 h VAL 48 Cb 0.64 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 3ng3 h VAL 48 CO 0.00 0.07 0.60 -0.65 0.02 0.00 0.00 177.57 177.61 3ng3 h PRO 49 N 0.36 0.96 -0.03 1.57 0.11 -1.81 -0.86 132.00 132.30 3ng3 h PRO 49 Ca 0.12 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.02 3ng3 h PRO 49 Cb -0.00 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.88 3ng3 h PRO 49 CO -0.05 0.63 -0.68 0.00 -0.21 0.00 0.00 178.00 177.69 3ng3 h ALA 50 N 1.51 0.82 -0.11 -0.75 0.00 -1.72 -2.05 119.26 116.95 3ng3 h ALA 50 Ca 0.47 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ng3 h ALA 50 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ng3 h ALA 50 CO -0.25 0.80 0.02 0.00 0.00 0.00 0.00 179.25 179.82 3ng3 h ALA 51 N 1.22 0.15 -0.20 0.00 0.00 -0.56 -3.05 119.26 116.81 3ng3 h ALA 51 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3ng3 h ALA 51 Cb 1.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3ng3 h ALA 51 CO 0.10 -0.20 -0.27 0.28 0.00 0.00 0.00 179.25 179.16 3ng3 h VAL 52 N -0.05 1.26 -0.00 0.00 2.07 -1.12 -2.77 116.25 115.65 3ng3 h VAL 52 Ca 0.03 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3ng3 h VAL 52 Cb 0.29 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3ng3 h VAL 52 CO 0.00 0.39 -0.05 0.00 0.02 0.00 0.00 177.57 177.93 3ng3 n GLN 53 N -4.12 0.73 -0.13 1.57 6.02 -0.78 -5.09 117.38 115.58 3ng3 n GLN 53 Ca -0.01 -0.16 -0.27 0.00 -0.01 0.00 0.00 57.00 56.55 3ng3 n GLN 53 Cb 0.40 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.06 3ng3 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ng3 n ALA 54 N -0.99 1.19 -1.67 -1.58 0.00 -1.05 -5.08 120.51 111.33 3ng3 n ALA 54 Ca 0.17 -1.03 -0.51 0.00 0.00 0.00 0.00 53.44 52.06 3ng3 n ALA 54 Cb 0.24 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 3ng3 n ALA 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3ng3 n ARG 59 N -4.09 1.72 -4.35 0.00 0.63 -1.26 -4.88 116.66 104.44 3ng3 n ARG 59 Ca -0.51 0.63 -0.30 0.00 -0.92 0.00 0.00 57.85 56.75 3ng3 n ARG 59 Cb 0.89 -2.37 -0.17 0.00 0.45 0.00 0.00 32.46 31.26 3ng3 n ARG 59 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3ng3 s VAL 60 N 2.39 1.67 -0.01 5.15 1.01 -1.26 -1.77 120.40 127.57 3ng3 s VAL 60 Ca 0.89 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 3ng3 s VAL 60 Cb -0.83 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3ng3 s VAL 60 CO 0.50 0.47 0.12 0.00 0.00 0.00 0.00 175.10 176.20 3ng3 s ALA 61 N 1.12 3.74 0.28 5.51 0.00 0.11 -0.97 121.76 131.55 3ng3 s ALA 61 Ca -0.02 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.18 3ng3 s ALA 61 Cb -0.14 -1.72 -0.06 0.00 0.00 0.00 0.00 23.12 21.20 3ng3 s ALA 61 CO -0.05 0.71 -0.05 0.45 0.00 0.00 0.00 175.76 176.82 3ng3 s SER 62 N -1.75 2.64 0.34 0.00 0.15 -0.56 -1.64 113.70 112.87 3ng3 s SER 62 Ca 0.24 -1.20 0.07 0.00 0.70 0.00 0.00 55.95 55.75 3ng3 s SER 62 Cb -0.12 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.03 3ng3 s SER 62 CO 0.15 -0.37 0.47 0.68 1.20 0.00 0.00 173.24 175.37 3ng3 s VAL 63 N -3.07 4.07 -0.06 4.45 -7.23 -1.20 0.24 120.40 117.61 3ng3 s VAL 63 Ca 0.30 -0.99 -0.07 0.00 -1.81 0.00 0.00 61.98 59.41 3ng3 s VAL 63 Cb 0.04 -3.41 0.02 0.00 0.56 0.00 0.00 36.38 33.59 3ng3 s VAL 63 CO 0.12 -0.16 0.18 0.00 -0.31 0.00 0.00 175.10 174.93 3ng3 s ALA 64 N -2.18 -0.44 -1.40 1.32 0.00 -0.67 -4.47 121.76 113.92 3ng3 s ALA 64 Ca 0.45 0.41 -0.09 0.00 0.00 0.00 0.00 51.96 52.73 3ng3 s ALA 64 Cb -0.10 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.86 3ng3 s ALA 64 CO 0.31 -0.11 0.62 0.41 0.00 0.00 0.00 175.76 176.99 3ng3 n GLY 65 N 2.71 -0.50 3.58 0.00 0.00 -1.26 -2.07 105.19 107.66 3ng3 n GLY 65 Ca -0.14 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3ng3 n GLY 65 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ng3 s PHE 66 N -3.06 2.91 -0.92 1.61 5.36 -1.26 -1.12 117.98 121.51 3ng3 s PHE 66 Ca 0.44 -0.00 0.25 0.00 -0.96 0.00 0.00 56.93 56.65 3ng3 s PHE 66 Cb -0.22 -1.68 0.41 0.00 -0.34 0.00 0.00 43.02 41.19 3ng3 s PHE 66 CO 0.54 0.34 1.34 -0.35 -1.46 0.00 0.00 175.22 175.64 3ng3 n PRO 67 N 2.03 0.07 0.10 10.12 -0.04 -1.26 -4.91 135.00 141.11 3ng3 n PRO 67 Ca -0.17 0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 3ng3 n PRO 67 Cb 0.53 -1.53 0.09 0.00 -0.04 0.00 0.00 33.50 32.55 3ng3 n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ng3 h SER 68 N 0.00 0.13 0.00 3.54 4.64 -1.96 -3.47 113.55 116.43 3ng3 h SER 68 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3ng3 h SER 68 Cb 0.55 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3ng3 h SER 68 CO 0.00 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 3ng3 n GLY 69 N 0.49 1.61 3.20 -0.77 0.00 -0.27 -4.69 105.19 104.76 3ng3 n GLY 69 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 3ng3 n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ng3 n LYS 70 N -2.00 3.74 -3.94 1.61 4.76 -1.26 -3.82 118.16 117.25 3ng3 n LYS 70 Ca 0.00 -4.13 -0.10 0.00 -2.87 0.00 0.00 58.31 51.21 3ng3 n LYS 70 Cb 0.00 -2.75 -0.11 0.00 -1.84 0.00 0.00 35.03 30.33 3ng3 n LYS 70 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3ng3 s HIS 71 N -0.54 0.17 0.55 2.13 3.76 -1.26 -5.12 115.29 114.99 3ng3 s HIS 71 Ca 0.36 -0.36 -0.20 0.00 -0.15 0.00 0.00 55.06 54.71 3ng3 s HIS 71 Cb -0.01 -0.13 -0.05 0.00 1.11 0.00 0.00 32.58 33.50 3ng3 s HIS 71 CO 0.00 -0.22 1.20 0.14 -0.85 0.00 0.00 174.74 175.01 3ng3 s VAL 72 N -1.38 2.79 0.28 -0.90 -7.23 -1.26 -4.79 120.40 107.90 3ng3 s VAL 72 Ca -0.15 0.52 0.01 0.00 -1.81 0.00 0.00 61.98 60.55 3ng3 s VAL 72 Cb -0.09 -3.23 0.28 0.00 0.56 0.00 0.00 36.38 33.91 3ng3 s VAL 72 CO -0.00 -0.08 1.68 0.28 -0.31 0.00 0.00 175.10 176.67 3ng3 h SER 73 N 1.25 0.16 0.08 4.85 0.02 -1.97 -0.64 113.55 117.30 3ng3 h SER 73 Ca -0.50 0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 3ng3 h SER 73 Cb 1.28 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 3ng3 h SER 73 CO 0.57 -0.06 -0.11 0.00 -1.14 0.00 0.00 176.83 176.09 3ng3 h ALA 74 N 1.71 1.73 -0.02 3.77 0.00 -1.95 -0.67 119.26 123.84 3ng3 h ALA 74 Ca 0.52 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.13 3ng3 h ALA 74 Cb 1.00 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.76 3ng3 h ALA 74 CO -0.56 0.20 -0.69 0.28 0.00 0.00 0.00 179.25 178.48 3ng3 h VAL 75 N 0.07 1.39 -0.89 0.00 2.07 -1.47 -0.33 116.25 117.09 3ng3 h VAL 75 Ca 0.01 -2.08 0.01 0.00 0.82 0.00 0.00 66.70 65.46 3ng3 h VAL 75 Cb 0.24 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 3ng3 h VAL 75 CO 0.02 0.62 0.58 0.11 0.02 0.00 0.00 177.57 178.92 3ng3 h LYS 76 N 0.04 1.17 -0.28 1.57 1.57 -1.20 -0.05 116.57 119.39 3ng3 h LYS 76 Ca -0.08 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 3ng3 h LYS 76 Cb 1.38 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 3ng3 h LYS 76 CO 0.14 0.78 -0.14 0.00 -0.57 0.00 0.00 179.45 179.65 3ng3 h ALA 77 N 1.32 0.39 -0.02 3.86 0.00 -1.08 -0.57 119.26 123.17 3ng3 h ALA 77 Ca 0.32 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ng3 h ALA 77 Cb -0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3ng3 h ALA 77 CO -0.07 0.28 -0.23 1.25 0.00 0.00 0.00 179.25 180.48 3ng3 h HIS 78 N 0.33 -0.62 -0.48 0.00 -0.00 -0.91 -0.92 115.15 112.54 3ng3 h HIS 78 Ca 0.06 0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.54 3ng3 h HIS 78 Cb 0.66 0.28 -0.07 0.00 -0.00 0.00 0.00 27.41 28.28 3ng3 h HIS 78 CO 0.06 -0.32 0.06 1.49 -0.00 0.00 0.00 177.93 179.22 3ng3 h GLU 79 N -0.36 0.18 -0.18 5.26 4.81 -0.91 -0.84 114.58 122.55 3ng3 h GLU 79 Ca 0.07 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3ng3 h GLU 79 Cb 0.45 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3ng3 h GLU 79 CO -0.23 0.12 0.08 0.00 -0.73 0.00 0.00 179.01 178.25 3ng3 h ALA 80 N 1.40 0.23 -0.65 2.92 0.00 -1.01 -2.27 119.26 119.87 3ng3 h ALA 80 Ca 0.24 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3ng3 h ALA 80 Cb 0.34 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3ng3 h ALA 80 CO -0.35 -0.20 0.41 0.00 0.00 0.00 0.00 179.25 179.11 3ng3 h ALA 81 N 0.94 0.85 -0.88 0.00 0.00 -0.92 -1.39 119.26 117.86 3ng3 h ALA 81 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ng3 h ALA 81 Cb 0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3ng3 h ALA 81 CO -0.01 0.18 0.49 -0.07 0.00 0.00 0.00 179.25 179.84 3ng3 h LEU 82 N 0.81 1.09 0.02 0.00 3.38 -1.04 0.42 115.31 120.01 3ng3 h LEU 82 Ca 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3ng3 h LEU 82 Cb 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3ng3 h LEU 82 CO -0.10 0.87 -0.01 0.00 0.09 0.00 0.00 178.44 179.29 3ng3 h ALA 83 N 1.31 -0.03 -0.49 1.53 0.00 -1.01 -1.34 119.26 119.23 3ng3 h ALA 83 Ca 0.31 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3ng3 h ALA 83 Cb 0.01 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3ng3 h ALA 83 CO -0.05 -0.40 0.19 0.28 0.00 0.00 0.00 179.25 179.26 3ng3 h VAL 84 N -0.26 0.86 -0.47 0.00 2.07 -1.13 -0.84 116.25 116.47 3ng3 h VAL 84 Ca -0.00 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.46 3ng3 h VAL 84 Cb 0.25 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3ng3 h VAL 84 CO 0.01 0.07 0.32 0.00 0.02 0.00 0.00 177.57 177.98 3ng3 h ALA 85 N 1.31 2.02 -0.03 1.67 0.00 -0.78 0.14 119.26 123.60 3ng3 h ALA 85 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ng3 h ALA 85 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ng3 h ALA 85 CO -0.22 -0.12 0.00 0.43 0.00 0.00 0.00 179.25 179.34 3ng3 n SER 86 N -4.47 1.05 0.00 0.00 7.64 -0.52 -4.93 113.62 112.40 3ng3 n SER 86 Ca 0.07 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.55 3ng3 n SER 86 Cb 0.31 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 3ng3 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ng3 n GLY 87 N 1.10 1.21 3.73 0.23 0.00 0.50 -4.60 105.19 107.37 3ng3 n GLY 87 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3ng3 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 88 N -2.00 3.72 -0.18 4.61 0.00 -0.40 -4.73 121.76 122.78 3ng3 s ALA 88 Ca 0.00 1.36 0.18 0.00 0.00 0.00 0.00 51.96 53.50 3ng3 s ALA 88 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 3ng3 s ALA 88 CO 0.00 -0.77 1.07 0.00 0.00 0.00 0.00 175.76 176.06 3ng3 h ALA 89 N 6.08 0.65 -2.78 0.00 0.00 -1.40 -3.38 119.26 118.42 3ng3 h ALA 89 Ca -0.44 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 53.75 3ng3 h ALA 89 Cb 1.21 0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.92 3ng3 h ALA 89 CO 0.86 0.59 -0.71 -1.21 0.00 0.00 0.00 179.25 178.78 3ng3 s GLU 90 N -3.05 0.52 -0.06 0.00 2.02 -1.19 -1.91 118.70 115.03 3ng3 s GLU 90 Ca -0.00 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.11 3ng3 s GLU 90 Cb 0.08 -0.06 0.02 0.00 0.10 0.00 0.00 34.13 34.27 3ng3 s GLU 90 CO 0.78 -0.02 -0.07 0.42 0.02 0.00 0.00 175.26 176.39 3ng3 s ILE 91 N -2.24 0.78 -0.39 -1.63 -1.09 0.14 -1.50 121.20 115.28 3ng3 s ILE 91 Ca -0.05 -0.25 -0.09 0.00 -2.23 0.00 0.00 60.65 58.03 3ng3 s ILE 91 Cb -0.04 -0.77 0.06 0.00 -1.58 0.00 0.00 42.46 40.13 3ng3 s ILE 91 CO -0.03 0.28 0.21 -1.81 -1.23 0.00 0.00 174.94 172.37 3ng3 s ASP 92 N 0.92 5.58 0.30 3.58 1.11 0.14 -0.65 116.67 127.63 3ng3 s ASP 92 Ca -0.11 -1.33 0.05 0.00 0.18 0.00 0.00 52.55 51.35 3ng3 s ASP 92 Cb -0.15 -1.96 -0.02 0.00 1.07 0.00 0.00 42.92 41.86 3ng3 s ASP 92 CO 0.01 -0.46 0.43 0.00 1.18 0.00 0.00 175.17 176.33 3ng3 s MET 93 N 1.44 3.27 -0.10 8.23 0.23 -0.06 -1.67 119.30 130.65 3ng3 s MET 93 Ca 0.02 -0.85 0.02 0.00 -1.03 0.00 0.00 55.69 53.84 3ng3 s MET 93 Cb -0.21 -2.83 -0.02 0.00 -1.53 0.00 0.00 34.83 30.24 3ng3 s MET 93 CO 0.03 0.22 -0.15 0.08 -2.03 0.00 0.00 175.02 173.16 3ng3 s VAL 94 N -2.11 2.87 0.80 5.16 1.01 -0.88 -0.17 120.40 127.09 3ng3 s VAL 94 Ca 0.40 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 3ng3 s VAL 94 Cb -0.09 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.20 3ng3 s VAL 94 CO 0.31 0.55 1.09 0.27 0.00 0.00 0.00 175.10 177.31 3ng3 s ILE 95 N 0.05 3.18 -0.71 2.22 -4.36 -1.06 -4.58 121.20 115.94 3ng3 s ILE 95 Ca -0.06 0.38 -0.27 0.00 -0.26 0.00 0.00 60.65 60.45 3ng3 s ILE 95 Cb -0.15 -2.92 0.01 0.00 1.25 0.00 0.00 42.46 40.65 3ng3 s ILE 95 CO 0.05 -0.50 1.54 -0.62 0.24 0.00 0.00 174.94 175.65 3ng3 s ASP 96 N -3.50 5.78 0.21 4.36 -1.08 -1.25 -4.30 116.67 116.90 3ng3 s ASP 96 Ca 0.61 -0.20 -0.09 0.00 -0.52 0.00 0.00 52.55 52.36 3ng3 s ASP 96 Cb -0.17 -2.55 0.16 0.00 -1.46 0.00 0.00 42.92 38.90 3ng3 s ASP 96 CO 0.56 -2.07 1.83 0.58 0.52 0.00 0.00 175.17 176.59 3ng3 h VAL 97 N 6.46 1.24 -0.26 1.11 2.07 -1.85 -1.38 116.25 123.63 3ng3 h VAL 97 Ca -0.23 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3ng3 h VAL 97 Cb 1.09 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3ng3 h VAL 97 CO 1.26 0.26 0.11 1.23 0.02 0.00 0.00 177.57 180.45 3ng3 h GLY 98 N 1.09 0.39 0.88 2.17 0.00 -1.94 -1.23 103.07 104.42 3ng3 h GLY 98 Ca 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3ng3 h GLY 98 CO -0.04 0.16 0.07 0.00 0.00 0.00 0.00 176.54 176.73 3ng3 h ALA 99 N 1.76 0.27 -0.95 3.60 0.00 -1.64 -1.61 119.26 120.69 3ng3 h ALA 99 Ca 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ng3 h ALA 99 Cb 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3ng3 h ALA 99 CO -0.01 -0.12 0.61 0.00 0.00 0.00 0.00 179.25 179.73 3ng3 h ALA 100 N 0.90 1.30 0.00 0.00 0.00 -0.83 -1.28 119.26 119.35 3ng3 h ALA 100 Ca 0.07 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ng3 h ALA 100 Cb 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ng3 h ALA 100 CO -0.00 0.64 -0.45 -0.07 0.00 0.00 0.00 179.25 179.37 3ng3 h LEU 101 N 1.29 0.00 0.00 0.00 3.38 -1.04 -2.31 115.31 116.63 3ng3 h LEU 101 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3ng3 h LEU 101 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3ng3 h LEU 101 CO -0.07 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.91 3ng3 n ALA 102 N -2.35 2.45 -0.81 1.53 0.00 -0.62 -4.90 120.51 115.80 3ng3 n ALA 102 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3ng3 n ALA 102 Cb 0.53 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3ng3 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng3 n GLY 103 N 1.00 0.58 2.72 0.00 0.00 -0.87 -4.99 105.19 103.63 3ng3 n GLY 103 Ca 0.16 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ng3 n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ng3 n ASP 104 N 0.30 6.03 0.10 1.61 2.03 -0.52 -4.70 116.55 121.40 3ng3 n ASP 104 Ca 0.00 -3.08 -0.03 0.00 0.52 0.00 0.00 54.79 52.20 3ng3 n ASP 104 Cb 0.00 -1.46 0.20 0.00 -0.72 0.00 0.00 41.12 39.14 3ng3 n ASP 104 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3ng3 h LEU 105 N 7.28 0.23 -0.76 -2.67 -0.00 -1.88 -1.78 115.31 115.72 3ng3 h LEU 105 Ca 0.51 -0.11 0.08 0.00 -0.00 0.00 0.00 57.88 58.37 3ng3 h LEU 105 Cb 0.52 -0.06 -0.07 0.00 -0.00 0.00 0.00 40.66 41.05 3ng3 h LEU 105 CO 1.61 0.67 0.43 0.44 -0.00 0.00 0.00 178.44 181.59 3ng3 h ASP 106 N 0.17 0.62 -0.49 -0.43 3.32 -1.98 0.37 116.42 118.00 3ng3 h ASP 106 Ca 0.01 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 3ng3 h ASP 106 Cb 0.91 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 3ng3 h ASP 106 CO 0.07 0.37 0.09 1.23 -1.72 0.00 0.00 179.24 179.29 3ng3 h GLY 107 N 0.75 0.87 0.85 2.75 0.00 -1.82 0.06 103.07 106.53 3ng3 h GLY 107 Ca 0.36 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3ng3 h GLY 107 CO -0.22 0.53 0.04 -2.08 0.00 0.00 0.00 176.54 174.81 3ng3 h VAL 108 N 0.69 1.22 -0.59 4.60 2.07 -1.06 0.13 116.25 123.30 3ng3 h VAL 108 Ca 0.15 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 67.01 3ng3 h VAL 108 Cb 0.38 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 3ng3 h VAL 108 CO 0.01 0.22 0.32 -0.09 0.02 0.00 0.00 177.57 178.05 3ng3 h ARG 109 N 0.16 0.59 -0.59 1.57 2.43 -0.84 -1.68 114.38 116.02 3ng3 h ARG 109 Ca 0.07 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3ng3 h ARG 109 Cb 0.30 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3ng3 h ARG 109 CO 0.00 0.39 0.04 0.00 -1.51 0.00 0.00 179.97 178.89 3ng3 h ALA 110 N 1.31 0.95 -0.89 2.80 0.00 -0.63 0.93 119.26 123.74 3ng3 h ALA 110 Ca 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ng3 h ALA 110 Cb 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3ng3 h ALA 110 CO -0.17 0.64 0.56 0.22 0.00 0.00 0.00 179.25 180.50 3ng3 h ASP 111 N 0.93 1.04 -0.09 0.00 3.58 -0.46 -1.22 116.42 120.19 3ng3 h ASP 111 Ca 0.18 -0.05 -0.21 0.00 0.42 0.00 0.00 57.03 57.36 3ng3 h ASP 111 Cb 0.48 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.28 3ng3 h ASP 111 CO 0.02 0.78 -0.77 0.40 -2.88 0.00 0.00 179.24 176.79 3ng3 h ILE 112 N 1.21 1.31 -0.32 2.25 2.04 -0.65 -3.13 117.51 120.23 3ng3 h ILE 112 Ca 0.32 -2.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.15 3ng3 h ILE 112 Cb -0.09 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3ng3 h ILE 112 CO -0.06 0.63 0.12 0.00 0.00 0.00 0.00 178.15 178.83 3ng3 h ALA 113 N 0.48 1.62 -0.06 1.87 0.00 -0.67 -0.46 119.26 122.03 3ng3 h ALA 113 Ca -0.07 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ng3 h ALA 113 Cb 1.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ng3 h ALA 113 CO 0.16 0.30 -0.01 0.00 0.00 0.00 0.00 179.25 179.70 3ng3 h ALA 114 N 1.69 0.05 -0.57 0.00 0.00 -1.20 -0.22 119.26 119.01 3ng3 h ALA 114 Ca 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ng3 h ALA 114 Cb 0.10 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3ng3 h ALA 114 CO -0.01 -0.49 0.24 0.28 0.00 0.00 0.00 179.25 179.27 3ng3 h VAL 115 N 0.01 1.22 -0.46 0.00 2.07 -1.35 -2.56 116.25 115.18 3ng3 h VAL 115 Ca 0.03 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 66.98 3ng3 h VAL 115 Cb 0.04 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 3ng3 h VAL 115 CO -0.06 0.26 -0.03 -0.09 0.02 0.00 0.00 177.57 177.67 3ng3 h ARG 116 N 0.78 0.08 0.00 1.57 9.65 -0.90 -1.38 114.38 124.18 3ng3 h ARG 116 Ca 0.19 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 3ng3 h ARG 116 Cb 0.18 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 3ng3 h ARG 116 CO -0.02 0.05 0.00 0.78 2.80 0.00 0.00 179.97 183.59 3ng3 h GLY 117 N 0.08 0.00 0.43 2.80 0.00 -0.70 -3.16 103.07 102.53 3ng3 h GLY 117 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3ng3 h GLY 117 CO -0.40 0.00 -1.17 0.00 0.00 0.00 0.00 176.54 174.97 3ng3 n ALA 118 N -1.85 3.47 0.65 3.60 0.00 -0.55 -4.43 120.51 121.40 3ng3 n ALA 118 Ca 0.02 -0.44 0.07 0.00 0.00 0.00 0.00 53.44 53.09 3ng3 n ALA 118 Cb 0.24 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3ng3 n ALA 118 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3ng3 n VAL 119 N -1.97 0.00 0.00 0.00 0.24 -1.02 -4.36 118.33 111.23 3ng3 n VAL 119 Ca 0.01 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3ng3 n VAL 119 Cb 0.45 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 3ng3 n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ng3 n GLY 120 N 1.07 3.33 0.37 7.63 0.00 -1.24 -2.04 105.19 114.31 3ng3 n GLY 120 Ca 0.06 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3ng3 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ng3 n GLY 121 N 0.00 -0.14 3.73 -0.02 0.00 -1.26 -4.95 105.19 102.54 3ng3 n GLY 121 Ca 0.00 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 3ng3 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 122 N -1.88 2.30 -0.03 4.61 0.00 -0.87 -4.96 121.76 120.93 3ng3 s ALA 122 Ca 0.33 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 53.03 3ng3 s ALA 122 Cb 0.17 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 3ng3 s ALA 122 CO 0.27 -1.64 1.45 0.08 0.00 0.00 0.00 175.76 175.92 3ng3 s VAL 123 N -1.67 3.70 -0.24 0.00 1.01 -0.80 -4.93 120.40 117.46 3ng3 s VAL 123 Ca 0.78 1.02 -0.06 0.00 0.00 0.00 0.00 61.98 63.72 3ng3 s VAL 123 Cb -0.33 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 3ng3 s VAL 123 CO 0.41 -0.03 0.04 -0.22 0.00 0.00 0.00 175.10 175.30 3ng3 s LEU 124 N 2.89 3.31 -0.09 3.92 2.96 -1.26 -0.68 118.68 129.73 3ng3 s LEU 124 Ca 0.65 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.28 3ng3 s LEU 124 Cb -0.31 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 3ng3 s LEU 124 CO 0.26 -0.04 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.68 3ng3 s LYS 125 N 1.57 2.96 -0.28 1.98 1.02 0.17 -0.62 119.74 126.55 3ng3 s LYS 125 Ca 0.06 -0.47 -0.03 0.00 0.02 0.00 0.00 55.97 55.54 3ng3 s LYS 125 Cb -0.15 -2.73 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 3ng3 s LYS 125 CO 0.02 0.64 0.01 0.08 -0.92 0.00 0.00 175.35 175.18 3ng3 s VAL 126 N -0.73 3.28 -0.24 3.17 1.01 -0.81 -0.88 120.40 125.21 3ng3 s VAL 126 Ca 0.11 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 3ng3 s VAL 126 Cb -0.11 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3ng3 s VAL 126 CO 0.02 0.05 1.29 -0.63 0.00 0.00 0.00 175.10 175.83 3ng3 s ILE 127 N 1.36 4.20 -1.56 2.22 1.01 0.77 -0.49 121.20 128.71 3ng3 s ILE 127 Ca -0.01 1.41 0.24 0.00 0.00 0.00 0.00 60.65 62.29 3ng3 s ILE 127 Cb -0.18 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.24 3ng3 s ILE 127 CO -0.01 -0.31 1.24 1.33 0.00 0.00 0.00 174.94 177.19 3ng3 n VAL 128 N 5.82 0.00 -3.69 2.92 0.24 -0.67 -2.55 118.33 120.40 3ng3 n VAL 128 Ca 0.14 -0.12 -0.30 0.00 -2.04 0.00 0.00 64.34 62.02 3ng3 n VAL 128 Cb 0.46 0.79 0.04 0.00 -1.47 0.00 0.00 33.84 33.65 3ng3 n VAL 128 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3ng3 n GLU 129 N -0.77 -1.65 -0.09 7.34 4.07 -0.70 -4.71 120.64 124.13 3ng3 n GLU 129 Ca 0.08 0.48 0.18 0.00 -0.06 0.00 0.00 57.16 57.84 3ng3 n GLU 129 Cb 0.38 -4.29 0.59 0.00 -0.06 0.00 0.00 31.44 28.07 3ng3 n GLU 129 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3ng3 h SER 130 N -1.86 0.21 0.38 4.31 4.64 -1.02 -0.65 113.55 119.56 3ng3 h SER 130 Ca -0.66 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 60.56 3ng3 h SER 130 Cb 1.36 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 3ng3 h SER 130 CO 0.50 0.11 -0.50 0.77 -0.87 0.00 0.00 176.83 176.84 3ng3 h SER 131 N 0.22 0.16 0.12 4.97 4.64 -1.79 -1.46 113.55 120.41 3ng3 h SER 131 Ca 0.32 -0.07 -0.26 0.00 -0.47 0.00 0.00 61.79 61.30 3ng3 h SER 131 Cb 0.93 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.99 3ng3 h SER 131 CO -0.06 0.63 -1.03 0.00 -0.87 0.00 0.00 176.83 175.50 3ng3 h ALA 132 N 1.37 0.20 -0.35 5.18 0.00 -1.45 -2.20 119.26 122.01 3ng3 h ALA 132 Ca 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 3ng3 h ALA 132 Cb 0.92 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3ng3 h ALA 132 CO 0.07 0.73 0.00 -0.07 0.00 0.00 0.00 179.25 179.98 3ng3 h LEU 133 N 0.34 0.61 -0.58 0.00 3.38 -1.17 -0.39 115.31 117.50 3ng3 h LEU 133 Ca -0.12 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 3ng3 h LEU 133 Cb 1.68 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 3ng3 h LEU 133 CO 0.19 0.77 -0.13 -0.07 0.09 0.00 0.00 178.44 179.29 3ng3 h LEU 134 N 0.43 1.01 -0.47 1.67 3.38 -1.35 0.11 115.31 120.10 3ng3 h LEU 134 Ca 0.10 -0.34 -0.17 0.00 0.09 0.00 0.00 57.88 57.56 3ng3 h LEU 134 Cb 0.45 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ng3 h LEU 134 CO 0.02 1.13 -0.56 0.00 0.09 0.00 0.00 178.44 179.11 3ng3 h ALA 135 N 0.95 0.65 0.00 1.53 0.00 -1.29 -3.36 119.26 117.75 3ng3 h ALA 135 Ca 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3ng3 h ALA 135 Cb 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ng3 h ALA 135 CO 0.05 0.69 -1.17 1.28 0.00 0.00 0.00 179.25 180.10 3ng3 n LEU 136 N -3.96 0.43 0.00 0.00 4.77 -0.17 -4.96 117.00 113.12 3ng3 n LEU 136 Ca -0.03 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3ng3 n LEU 136 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3ng3 n LEU 136 CO 0.48 0.11 0.00 0.00 -1.33 0.00 0.00 177.39 176.64 3ng3 n ALA 137 N -1.67 0.00 -3.79 -1.18 0.00 0.36 -5.06 120.51 109.17 3ng3 n ALA 137 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3ng3 n ALA 137 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.77 3ng3 n ALA 137 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3ng3 s ASP 138 N 1.00 -0.15 0.38 0.00 1.47 -1.03 -4.84 116.67 113.51 3ng3 s ASP 138 Ca 0.00 -0.53 0.08 0.00 1.18 0.00 0.00 52.55 53.28 3ng3 s ASP 138 Cb 0.00 0.55 0.82 0.00 -0.34 0.00 0.00 42.92 43.96 3ng3 s ASP 138 CO 0.00 -1.04 1.97 -0.33 0.68 0.00 0.00 175.17 176.45 3ng3 h GLU 139 N 2.00 0.63 -0.52 2.11 5.08 -1.88 -2.27 114.58 119.74 3ng3 h GLU 139 Ca -0.24 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 57.96 3ng3 h GLU 139 Cb 1.23 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3ng3 h GLU 139 CO 0.28 0.42 -0.12 1.25 -1.00 0.00 0.00 179.01 179.83 3ng3 h HIS 140 N 0.65 1.12 -0.83 4.33 2.76 -1.97 -1.87 115.15 119.34 3ng3 h HIS 140 Ca 0.29 -0.24 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3ng3 h HIS 140 Cb 0.31 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 3ng3 h HIS 140 CO -0.00 1.06 0.52 1.15 -1.30 0.00 0.00 177.93 179.36 3ng3 h THR 141 N 0.87 1.23 -0.67 6.26 2.02 -1.80 -0.53 112.91 120.28 3ng3 h THR 141 Ca 0.13 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.87 3ng3 h THR 141 Cb 0.69 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 3ng3 h THR 141 CO 0.05 0.23 0.43 0.25 0.37 0.00 0.00 175.52 176.85 3ng3 h LEU 142 N 1.14 0.72 -0.54 2.58 5.85 -1.09 -1.40 115.31 122.58 3ng3 h LEU 142 Ca 0.30 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 3ng3 h LEU 142 Cb -0.08 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3ng3 h LEU 142 CO -0.06 0.51 0.11 0.58 -0.34 0.00 0.00 178.44 179.24 3ng3 h VAL 143 N 0.85 1.25 -0.79 1.05 2.07 -0.89 -2.13 116.25 117.67 3ng3 h VAL 143 Ca 0.26 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3ng3 h VAL 143 Cb -0.04 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3ng3 h VAL 143 CO -0.08 0.33 0.39 0.03 0.02 0.00 0.00 177.57 178.26 3ng3 h ARG 144 N 0.77 1.12 -0.51 1.57 3.08 -0.78 -1.16 114.38 118.49 3ng3 h ARG 144 Ca 0.17 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3ng3 h ARG 144 Cb 0.37 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3ng3 h ARG 144 CO 0.01 0.86 0.08 0.28 -1.07 0.00 0.00 179.97 180.13 3ng3 h VAL 145 N 1.12 1.25 -0.64 2.04 2.07 -1.07 -0.82 116.25 120.20 3ng3 h VAL 145 Ca 0.27 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.89 3ng3 h VAL 145 Cb 0.10 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3ng3 h VAL 145 CO -0.04 0.33 0.39 0.00 0.02 0.00 0.00 177.57 178.28 3ng3 h ARG 147 N 0.76 0.68 -0.96 0.00 3.08 -1.03 -1.14 114.38 115.78 3ng3 h ARG 147 Ca 0.26 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 60.10 3ng3 h ARG 147 Cb 0.03 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 3ng3 h ARG 147 CO -0.11 0.80 0.63 0.00 -1.07 0.00 0.00 179.97 180.22 3ng3 h ALA 148 N 1.22 1.35 -0.59 0.04 0.00 -0.70 0.18 119.26 120.77 3ng3 h ALA 148 Ca 0.10 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3ng3 h ALA 148 Cb 0.61 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3ng3 h ALA 148 CO 0.04 0.57 0.03 0.00 0.00 0.00 0.00 179.25 179.90 3ng3 h ALA 149 N 1.42 0.95 -0.18 0.00 0.00 -0.61 -0.67 119.26 120.18 3ng3 h ALA 149 Ca 0.37 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ng3 h ALA 149 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3ng3 h ALA 149 CO -0.10 0.64 -0.04 1.49 0.00 0.00 0.00 179.25 181.24 3ng3 h GLU 150 N 0.92 0.33 -0.76 0.00 4.81 -0.52 -1.32 114.58 118.04 3ng3 h GLU 150 Ca 0.17 -0.13 0.14 0.00 -0.13 0.00 0.00 59.36 59.42 3ng3 h GLU 150 Cb 0.49 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 3ng3 h GLU 150 CO 0.02 0.60 0.51 -0.44 -0.73 0.00 0.00 179.01 178.97 3ng3 h ASP 151 N 0.05 0.43 0.44 1.04 3.32 -0.44 -2.31 116.42 118.95 3ng3 h ASP 151 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3ng3 h ASP 151 Cb 0.47 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3ng3 h ASP 151 CO 0.02 0.22 -0.20 0.00 -1.72 0.00 0.00 179.24 177.56 3ng3 n ALA 152 N -2.51 2.91 0.00 3.45 0.00 -0.28 -4.91 120.51 119.17 3ng3 n ALA 152 Ca 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3ng3 n ALA 152 Cb 0.51 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3ng3 n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng3 n GLY 153 N 1.36 0.97 3.73 0.00 0.00 -0.87 -4.35 105.19 106.02 3ng3 n GLY 153 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3ng3 n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 154 N -2.00 2.21 -0.11 4.61 0.00 -0.51 -4.93 121.76 121.01 3ng3 s ALA 154 Ca 0.00 0.97 0.20 0.00 0.00 0.00 0.00 51.96 53.13 3ng3 s ALA 154 Cb 0.00 -3.49 -0.23 0.00 0.00 0.00 0.00 23.12 19.40 3ng3 s ALA 154 CO 0.00 -1.76 0.56 -0.25 0.00 0.00 0.00 175.76 174.31 3ng3 n ASP 155 N -2.44 0.30 -3.99 0.00 8.00 0.21 -4.74 116.55 113.89 3ng3 n ASP 155 Ca 0.14 0.13 -0.09 0.00 0.71 0.00 0.00 54.79 55.68 3ng3 n ASP 155 Cb 0.50 1.20 -0.11 0.00 -0.02 0.00 0.00 41.12 42.69 3ng3 n ASP 155 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ng3 s PHE 156 N -3.18 0.28 0.08 1.24 0.08 -0.83 -0.78 117.98 114.87 3ng3 s PHE 156 Ca -0.06 -0.60 0.06 0.00 0.12 0.00 0.00 56.93 56.45 3ng3 s PHE 156 Cb 0.11 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.31 3ng3 s PHE 156 CO 0.86 -0.26 -0.06 0.14 -0.10 0.00 0.00 175.22 175.80 3ng3 s VAL 157 N -2.07 3.64 0.01 -0.44 -7.23 -0.50 -1.92 120.40 111.89 3ng3 s VAL 157 Ca -0.10 -1.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 3ng3 s VAL 157 Cb -0.05 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 3ng3 s VAL 157 CO -0.03 0.16 -0.06 -0.75 -0.31 0.00 0.00 175.10 174.11 3ng3 s LYS 158 N -2.13 0.43 -0.04 4.82 2.20 0.36 -0.30 119.74 125.09 3ng3 s LYS 158 Ca 0.22 -0.41 -0.26 0.00 -0.36 0.00 0.00 55.97 55.16 3ng3 s LYS 158 Cb -0.11 -0.31 -0.21 0.00 -1.51 0.00 0.00 37.83 35.69 3ng3 s LYS 158 CO 0.14 0.07 1.19 1.79 -0.36 0.00 0.00 175.35 178.19 3ng3 h THR 159 N 4.81 1.39 -3.02 3.43 1.35 -1.50 -1.78 112.91 117.59 3ng3 h THR 159 Ca -0.31 -1.26 -0.09 0.00 -0.55 0.00 0.00 66.41 64.20 3ng3 h THR 159 Cb 1.20 2.23 -0.17 0.00 -1.73 0.00 0.00 68.15 69.68 3ng3 h THR 159 CO 0.46 0.32 -0.14 -0.44 -0.25 0.00 0.00 175.52 175.47 3ng3 s SER 160 N -5.72 -0.26 0.26 5.36 0.01 -1.26 -0.41 113.70 111.69 3ng3 s SER 160 Ca -0.16 0.02 0.14 0.00 1.31 0.00 0.00 55.95 57.27 3ng3 s SER 160 Cb 0.01 0.40 0.09 0.00 0.21 0.00 0.00 66.02 66.73 3ng3 s SER 160 CO 0.66 -0.61 1.45 0.71 0.41 0.00 0.00 173.24 175.86 3ng3 h THR 161 N 3.21 1.01 0.00 1.44 1.35 -1.88 -3.42 112.91 114.61 3ng3 h THR 161 Ca -0.31 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 3ng3 h THR 161 Cb 1.19 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 70.06 3ng3 h THR 161 CO 0.43 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.87 3ng3 n GLY 162 N 1.14 0.52 0.00 5.82 0.00 -1.26 -4.90 105.19 106.50 3ng3 n GLY 162 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3ng3 n GLY 162 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ng3 n PHE 163 N -2.92 0.00 -3.15 1.61 3.72 -1.26 -4.96 117.46 110.49 3ng3 n PHE 163 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 3ng3 n PHE 163 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 3ng3 n PHE 163 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3ng3 s HIS 164 N -0.36 3.79 0.46 1.38 2.46 -1.26 -4.95 115.29 116.82 3ng3 s HIS 164 Ca 0.00 1.37 0.17 0.00 0.47 0.00 0.00 55.06 57.06 3ng3 s HIS 164 Cb 0.00 -2.63 1.14 0.00 -0.13 0.00 0.00 32.58 30.96 3ng3 s HIS 164 CO 0.00 0.48 2.00 -1.35 -2.47 0.00 0.00 174.74 173.39 3ng3 h PRO 165 N 4.89 0.27 0.00 2.88 0.11 -2.02 0.83 132.00 138.96 3ng3 h PRO 165 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ng3 h PRO 165 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ng3 h PRO 165 CO 0.66 0.18 0.00 -1.13 -0.21 0.00 0.00 178.00 177.50 3ng3 n SER 166 N -4.46 0.14 0.00 -2.05 3.41 -1.26 -4.95 113.62 104.45 3ng3 n SER 166 Ca 0.09 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 3ng3 n SER 166 Cb 0.40 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3ng3 n SER 166 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ng3 n GLY 167 N -1.05 -0.07 0.00 5.00 0.00 0.28 -4.79 105.19 104.57 3ng3 n GLY 167 Ca 0.01 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3ng3 n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ng3 n GLY 168 N 0.00 5.17 3.75 -0.02 0.00 -1.26 -4.46 105.19 108.36 3ng3 n GLY 168 Ca 0.00 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 3ng3 n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 169 N -2.00 3.45 0.25 4.61 0.00 -0.83 -4.36 121.76 122.88 3ng3 s ALA 169 Ca 0.00 1.00 0.11 0.00 0.00 0.00 0.00 51.96 53.07 3ng3 s ALA 169 Cb 0.00 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3ng3 s ALA 169 CO 0.00 -0.38 -0.19 -1.54 0.00 0.00 0.00 175.76 173.66 3ng3 s SER 170 N -0.21 3.31 0.23 0.00 1.04 -1.26 -4.95 113.70 111.87 3ng3 s SER 170 Ca 0.50 -1.01 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 3ng3 s SER 170 Cb -0.34 -0.25 0.24 0.00 0.10 0.00 0.00 66.02 65.77 3ng3 s SER 170 CO 0.40 -0.01 1.75 0.58 0.98 0.00 0.00 173.24 176.95 3ng3 h VAL 171 N 2.41 1.25 -0.43 5.02 2.07 -1.97 -2.35 116.25 122.25 3ng3 h VAL 171 Ca -0.40 -0.94 -0.12 0.00 0.82 0.00 0.00 66.70 66.06 3ng3 h VAL 171 Cb 1.25 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3ng3 h VAL 171 CO 0.60 0.35 -0.18 -0.09 0.02 0.00 0.00 177.57 178.26 3ng3 h ARG 172 N 0.93 0.89 -0.10 1.57 9.65 -1.97 0.00 114.38 125.35 3ng3 h ARG 172 Ca 0.19 -0.38 -0.00 0.00 -1.10 0.00 0.00 59.98 58.69 3ng3 h ARG 172 Cb 0.37 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 3ng3 h ARG 172 CO 0.01 1.03 0.06 0.00 2.80 0.00 0.00 179.97 183.86 3ng3 h ALA 173 N 0.84 0.13 -0.72 2.80 0.00 -1.92 0.46 119.26 120.85 3ng3 h ALA 173 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ng3 h ALA 173 Cb 0.75 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3ng3 h ALA 173 CO 0.06 -0.33 0.34 0.28 0.00 0.00 0.00 179.25 179.60 3ng3 h VAL 174 N 0.08 1.23 -0.29 0.00 2.07 -1.27 -1.08 116.25 116.99 3ng3 h VAL 174 Ca 0.04 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 3ng3 h VAL 174 Cb 0.06 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3ng3 h VAL 174 CO -0.01 0.27 -0.17 0.00 0.02 0.00 0.00 177.57 177.69 3ng3 h ALA 175 N 1.35 0.41 -0.37 1.67 0.00 -0.67 0.10 119.26 121.76 3ng3 h ALA 175 Ca 0.25 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ng3 h ALA 175 Cb 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3ng3 h ALA 175 CO -0.03 0.33 0.17 -0.07 0.00 0.00 0.00 179.25 179.64 3ng3 h LEU 176 N 0.37 0.23 -0.61 0.00 3.38 -0.73 -0.60 115.31 117.34 3ng3 h LEU 176 Ca 0.06 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 3ng3 h LEU 176 Cb 0.70 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3ng3 h LEU 176 CO 0.05 0.17 -0.31 0.24 0.09 0.00 0.00 178.44 178.68 3ng3 h MET 177 N 0.35 0.76 -0.38 1.13 2.86 -0.88 -0.44 114.93 118.33 3ng3 h MET 177 Ca 0.16 -0.35 -0.15 0.00 -2.06 0.00 0.00 59.70 57.30 3ng3 h MET 177 Cb 0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3ng3 h MET 177 CO -0.13 0.97 -0.36 0.00 1.06 0.00 0.00 176.91 178.45 3ng3 h ALA 178 N 1.01 0.55 -0.49 6.32 0.00 -0.75 -1.86 119.26 124.03 3ng3 h ALA 178 Ca 0.07 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ng3 h ALA 178 Cb 0.84 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3ng3 h ALA 178 CO 0.07 0.63 0.30 1.49 0.00 0.00 0.00 179.25 181.74 3ng3 h GLU 179 N 0.72 0.66 0.03 0.00 4.81 -0.89 0.28 114.58 120.18 3ng3 h GLU 179 Ca 0.06 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3ng3 h GLU 179 Cb 0.95 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3ng3 h GLU 179 CO 0.09 0.47 -0.01 0.00 -0.73 0.00 0.00 179.01 178.83 3ng3 h ALA 180 N 1.15 -0.04 0.00 2.92 0.00 -0.97 -3.38 119.26 118.94 3ng3 h ALA 180 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ng3 h ALA 180 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ng3 h ALA 180 CO -0.03 -0.32 0.00 1.33 0.00 0.00 0.00 179.25 180.23 3ng3 n VAL 181 N -4.91 0.60 -1.96 0.00 0.24 -0.71 -5.03 118.33 106.55 3ng3 n VAL 181 Ca -0.08 -0.66 -0.39 0.00 -2.04 0.00 0.00 64.34 61.16 3ng3 n VAL 181 Cb 0.22 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 3ng3 n VAL 181 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ng3 s GLY 182 N -0.60 2.92 0.00 7.63 0.00 0.99 -0.58 107.32 117.67 3ng3 s GLY 182 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.03 3ng3 s GLY 182 CO 0.00 1.90 0.00 0.61 0.00 0.00 0.00 173.10 175.61 3ng3 n GLY 183 N 0.63 2.85 0.37 0.20 0.00 -1.26 -4.73 105.19 103.24 3ng3 n GLY 183 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 3ng3 n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ng3 n ARG 184 N -2.00 0.21 -4.45 1.61 1.74 -0.86 -5.03 116.66 107.89 3ng3 n ARG 184 Ca 0.00 0.07 -0.30 0.00 -0.77 0.00 0.00 57.85 56.85 3ng3 n ARG 184 Cb 0.00 -1.01 -0.12 0.00 -1.02 0.00 0.00 32.46 30.31 3ng3 n ARG 184 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ng3 s LEU 185 N -6.01 2.58 0.85 0.55 1.02 0.26 -4.98 118.68 112.94 3ng3 s LEU 185 Ca -0.13 -0.56 -0.11 0.00 0.02 0.00 0.00 54.13 53.36 3ng3 s LEU 185 Cb 0.04 -1.47 0.10 0.00 0.02 0.00 0.00 46.19 44.89 3ng3 s LEU 185 CO 0.19 0.20 1.10 -0.83 0.02 0.00 0.00 176.35 177.03 3ng3 s GLY 186 N -1.89 1.66 -0.13 -3.19 0.00 0.04 -4.36 107.32 99.45 3ng3 s GLY 186 Ca 0.16 0.25 -0.00 0.00 0.00 0.00 0.00 44.72 45.13 3ng3 s GLY 186 CO 0.08 0.66 -0.07 0.14 0.00 0.00 0.00 173.10 173.90 3ng3 s VAL 187 N -2.84 1.07 -0.26 1.40 1.01 -1.26 -1.41 120.40 118.11 3ng3 s VAL 187 Ca 0.63 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 3ng3 s VAL 187 Cb -0.19 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 3ng3 s VAL 187 CO 0.57 0.32 0.08 -0.75 0.00 0.00 0.00 175.10 175.32 3ng3 s LYS 188 N 1.68 3.56 -0.06 2.72 2.20 0.59 0.20 119.74 130.64 3ng3 s LYS 188 Ca 0.04 -0.54 -0.22 0.00 -0.36 0.00 0.00 55.97 54.89 3ng3 s LYS 188 Cb -0.13 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 3ng3 s LYS 188 CO -0.08 -0.24 0.63 0.00 -0.36 0.00 0.00 175.35 175.30 3ng3 s ALA 189 N 1.60 3.40 0.08 3.13 0.00 -0.92 -1.32 121.76 127.74 3ng3 s ALA 189 Ca 0.06 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 3ng3 s ALA 189 Cb -0.15 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.14 3ng3 s ALA 189 CO 0.04 -0.01 0.27 -1.54 0.00 0.00 0.00 175.76 174.52 3ng3 s SER 190 N 0.48 -0.03 0.00 0.00 1.04 -1.26 -1.19 113.70 112.73 3ng3 s SER 190 Ca 0.34 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3ng3 s SER 190 Cb -0.17 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.32 3ng3 s SER 190 CO 0.17 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.28 3ng3 n GLY 191 N 0.12 -1.15 2.08 7.32 0.00 -1.26 -1.97 105.19 110.33 3ng3 n GLY 191 Ca -0.16 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 3ng3 n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ng3 n GLY 192 N 1.35 0.49 3.45 -0.02 0.00 -1.26 -2.24 105.19 106.97 3ng3 n GLY 192 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 3ng3 n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ng3 s ILE 193 N -1.98 4.43 -0.03 -0.61 1.01 -1.26 -4.81 121.20 117.95 3ng3 s ILE 193 Ca 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 60.65 60.02 3ng3 s ILE 193 Cb 0.00 -4.72 -0.14 0.00 0.01 0.00 0.00 42.46 37.61 3ng3 s ILE 193 CO 0.00 -1.48 0.18 0.54 0.00 0.00 0.00 174.94 174.18 3ng3 n ARG 194 N 7.40 0.66 -4.39 2.79 5.12 -1.26 -4.80 116.66 122.18 3ng3 n ARG 194 Ca 0.05 -0.07 -0.20 0.00 -1.93 0.00 0.00 57.85 55.70 3ng3 n ARG 194 Cb 0.47 -1.23 -0.10 0.00 -1.16 0.00 0.00 32.46 30.43 3ng3 n ARG 194 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3ng3 s THR 195 N -2.60 1.34 0.23 0.55 -4.23 -1.26 -4.49 115.64 105.19 3ng3 s THR 195 Ca -0.04 -2.07 -0.06 0.00 -1.18 0.00 0.00 61.69 58.34 3ng3 s THR 195 Cb 0.06 -2.45 0.19 0.00 1.34 0.00 0.00 72.50 71.64 3ng3 s THR 195 CO 0.40 -0.28 1.77 0.00 -0.54 0.00 0.00 174.62 175.97 3ng3 h ALA 196 N 2.34 1.02 -0.64 3.99 0.00 -1.84 -1.71 119.26 122.41 3ng3 h ALA 196 Ca -0.39 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3ng3 h ALA 196 Cb 1.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3ng3 h ALA 196 CO 0.67 -0.07 0.11 0.00 0.00 0.00 0.00 179.25 179.96 3ng3 h ALA 197 N 1.46 0.98 -0.08 0.00 0.00 -1.90 -1.47 119.26 118.24 3ng3 h ALA 197 Ca 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ng3 h ALA 197 Cb 0.43 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ng3 h ALA 197 CO -0.29 0.64 0.04 -0.44 0.00 0.00 0.00 179.25 179.21 3ng3 h ASP 198 N 0.99 0.07 0.05 0.00 3.32 -1.84 -1.13 116.42 117.88 3ng3 h ASP 198 Ca 0.20 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.28 3ng3 h ASP 198 Cb 0.41 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 3ng3 h ASP 198 CO 0.01 0.06 -0.38 0.00 -1.72 0.00 0.00 179.24 177.21 3ng3 h ALA 199 N 1.03 -0.62 -0.30 3.45 0.00 -1.08 -2.03 119.26 119.72 3ng3 h ALA 199 Ca 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ng3 h ALA 199 Cb -0.00 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3ng3 h ALA 199 CO -0.01 -0.92 0.01 -0.07 0.00 0.00 0.00 179.25 178.26 3ng3 h LEU 200 N -0.57 0.41 -0.83 0.00 3.38 -1.19 -1.73 115.31 114.78 3ng3 h LEU 200 Ca 0.04 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3ng3 h LEU 200 Cb 0.63 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3ng3 h LEU 200 CO -0.27 0.47 -0.20 0.00 0.09 0.00 0.00 178.44 178.53 3ng3 h ALA 201 N 1.59 1.01 -0.32 1.53 0.00 -0.92 -1.49 119.26 120.66 3ng3 h ALA 201 Ca 0.10 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 3ng3 h ALA 201 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ng3 h ALA 201 CO 0.01 0.59 -0.45 0.52 0.00 0.00 0.00 179.25 179.92 3ng3 h MET 202 N 0.58 0.82 -0.66 0.00 2.86 -0.62 -1.66 114.93 116.24 3ng3 h MET 202 Ca 0.09 -0.46 -0.08 0.00 -2.06 0.00 0.00 59.70 57.19 3ng3 h MET 202 Cb 0.66 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 3ng3 h MET 202 CO 0.05 1.09 0.09 -0.07 1.06 0.00 0.00 176.91 179.13 3ng3 h LEU 203 N 0.66 1.05 -0.97 1.22 3.38 -1.20 -1.09 115.31 118.35 3ng3 h LEU 203 Ca 0.04 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3ng3 h LEU 203 Cb 1.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3ng3 h LEU 203 CO 0.10 1.05 -0.02 -0.78 0.09 0.00 0.00 178.44 178.88 3ng3 h ASP 204 N 1.02 0.70 0.85 -0.43 3.58 -1.24 -2.45 116.42 118.44 3ng3 h ASP 204 Ca 0.20 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3ng3 h ASP 204 Cb 0.46 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.32 3ng3 h ASP 204 CO 0.02 0.78 0.00 0.00 -2.88 0.00 0.00 179.24 177.15 3ng3 n ALA 205 N -2.48 1.79 0.00 -0.78 0.00 -0.63 -4.88 120.51 113.53 3ng3 n ALA 205 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3ng3 n ALA 205 Cb 0.30 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3ng3 n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng3 n GLY 206 N 0.27 1.09 3.77 0.00 0.00 -0.92 -3.53 105.19 105.87 3ng3 n GLY 206 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3ng3 n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng3 s ALA 207 N -1.70 3.14 -0.49 4.61 0.00 -0.45 -4.63 121.76 122.25 3ng3 s ALA 207 Ca 0.00 0.83 0.05 0.00 0.00 0.00 0.00 51.96 52.83 3ng3 s ALA 207 Cb 0.00 -3.32 0.09 0.00 0.00 0.00 0.00 23.12 19.89 3ng3 s ALA 207 CO 0.00 -0.34 0.89 0.25 0.00 0.00 0.00 175.76 176.56 3ng3 n THR 208 N 0.09 0.53 -3.49 0.00 -2.24 0.13 -4.55 114.28 104.75 3ng3 n THR 208 Ca 0.04 -0.77 -0.15 0.00 -2.27 0.00 0.00 64.05 60.90 3ng3 n THR 208 Cb 0.48 0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 3ng3 n THR 208 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3ng3 s ARG 209 N -0.72 1.08 -0.01 -0.78 6.06 -1.12 -4.92 118.95 118.55 3ng3 s ARG 209 Ca 0.08 0.01 0.03 0.00 -2.50 0.00 0.00 55.73 53.35 3ng3 s ARG 209 Cb 0.05 0.51 -0.00 0.00 0.06 0.00 0.00 34.95 35.56 3ng3 s ARG 209 CO 0.06 -0.39 -0.09 -0.51 -2.50 0.00 0.00 175.30 171.88 3ng3 s LEU 210 N -1.70 1.95 -0.27 -0.88 1.43 -0.29 -2.16 118.68 116.76 3ng3 s LEU 210 Ca -0.06 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 52.80 3ng3 s LEU 210 Cb -0.00 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 3ng3 s LEU 210 CO 0.02 0.10 0.07 -0.83 0.23 0.00 0.00 176.35 175.93 3ng3 s GLY 211 N -0.09 1.76 0.04 -3.19 0.00 -0.34 -0.48 107.32 105.03 3ng3 s GLY 211 Ca 0.02 -1.27 0.04 0.00 0.00 0.00 0.00 44.72 43.50 3ng3 s GLY 211 CO -0.00 0.58 -0.12 1.08 0.00 0.00 0.00 173.10 174.64 3ng3 s LEU 212 N 1.56 2.20 -0.24 0.66 1.43 -0.95 -4.13 118.68 119.21 3ng3 s LEU 212 Ca 0.05 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.62 3ng3 s LEU 212 Cb -0.16 -0.44 -0.17 0.00 0.03 0.00 0.00 46.19 45.44 3ng3 s LEU 212 CO 0.03 -0.05 -0.14 -1.54 0.23 0.00 0.00 176.35 174.88 3ng3 n SER 213 N 1.75 1.99 -3.42 2.29 3.41 -1.26 -0.56 113.62 117.83 3ng3 n SER 213 Ca -0.19 0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 58.08 3ng3 n SER 213 Cb 0.55 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.90 3ng3 n SER 213 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ng3 n GLY 214 N 1.93 5.74 0.27 5.00 0.00 -1.26 -4.70 105.19 112.17 3ng3 n GLY 214 Ca -0.45 -2.41 -0.05 0.00 0.00 0.00 0.00 46.02 43.10 3ng3 n GLY 214 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ng3 h THR 215 N 2.24 1.18 -0.19 2.61 2.02 -1.94 -2.37 112.91 116.46 3ng3 h THR 215 Ca 0.57 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 67.44 3ng3 h THR 215 Cb 0.29 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3ng3 h THR 215 CO 1.26 0.17 -0.02 -0.09 0.37 0.00 0.00 175.52 177.22 3ng3 h ARG 216 N 0.90 0.03 -0.95 6.66 2.43 -1.99 0.98 114.38 122.45 3ng3 h ARG 216 Ca 0.24 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.44 3ng3 h ARG 216 Cb -0.09 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 3ng3 h ARG 216 CO -0.05 0.02 0.62 0.00 -1.51 0.00 0.00 179.97 179.05 3ng3 h ALA 217 N 1.18 1.38 -0.17 2.80 0.00 -1.89 0.25 119.26 122.80 3ng3 h ALA 217 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ng3 h ALA 217 Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ng3 h ALA 217 CO -0.17 0.54 0.02 0.28 0.00 0.00 0.00 179.25 179.91 3ng3 h VAL 218 N 1.21 1.24 -0.73 0.00 2.07 -0.76 -2.89 116.25 116.38 3ng3 h VAL 218 Ca 0.37 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3ng3 h VAL 218 Cb -0.02 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3ng3 h VAL 218 CO -0.11 0.23 0.36 -0.07 0.02 0.00 0.00 177.57 178.01 3ng3 h LEU 219 N 0.06 0.95 -1.39 2.57 3.38 -0.47 -2.70 115.31 117.70 3ng3 h LEU 219 Ca 0.05 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.02 3ng3 h LEU 219 Cb 0.34 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3ng3 h LEU 219 CO 0.01 0.81 0.53 0.44 0.09 0.00 0.00 178.44 180.32 3ng3 h ASP 220 N 1.02 0.57 0.21 -0.43 3.32 -0.83 -2.16 116.42 118.13 3ng3 h ASP 220 Ca 0.25 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3ng3 h ASP 220 Cb 0.10 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3ng3 h ASP 220 CO -0.03 0.31 0.00 0.61 -1.72 0.00 0.00 179.24 178.40 3ng3 n GLY 221 N -1.46 -0.65 0.22 2.75 0.00 -1.02 -5.10 105.19 99.93 3ng3 n GLY 221 Ca 0.15 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.27 3ng3 n GLY 221 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36