#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w49 s ILE 2 N 0.00 5.17 0.04 3.17 -4.36 -1.26 -5.10 121.20 118.87 1w49 s ILE 2 Ca 0.00 -0.21 0.07 0.00 -0.26 0.00 0.00 60.65 60.25 1w49 s ILE 2 Cb 0.00 -3.70 -0.02 0.00 1.25 0.00 0.00 42.46 39.98 1w49 s ILE 2 CO 0.00 -0.14 -0.19 -1.00 0.24 0.00 0.00 174.94 173.86 1w49 s HIS 3 N -1.84 1.63 -0.09 1.37 3.76 -1.26 -4.78 115.29 114.08 1w49 s HIS 3 Ca 0.40 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1w49 s HIS 3 Cb -0.11 -0.97 -0.03 0.00 1.11 0.00 0.00 32.58 32.58 1w49 s HIS 3 CO 0.28 0.08 -0.03 -0.51 -0.85 0.00 0.00 174.74 173.71 1w49 s LEU 4 N -1.19 3.41 0.06 0.89 1.43 -1.26 -5.12 118.68 116.89 1w49 s LEU 4 Ca 0.06 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1w49 s LEU 4 Cb -0.09 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1w49 s LEU 4 CO 0.02 0.34 -0.04 -0.31 0.23 0.00 0.00 176.35 176.59 1w49 s TYR 5 N -0.69 0.57 0.35 0.29 2.02 -1.26 -4.98 117.35 113.65 1w49 s TYR 5 Ca 0.11 -0.96 0.03 0.00 -0.37 0.00 0.00 57.07 55.88 1w49 s TYR 5 Cb -0.12 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 41.01 1w49 s TYR 5 CO 0.02 -0.30 0.13 0.16 -1.57 0.00 0.00 175.55 173.98 1w49 s ASP 6 N -2.73 2.20 0.28 2.29 1.47 -1.26 -4.97 116.67 113.95 1w49 s ASP 6 Ca 0.05 -1.56 0.02 0.00 1.18 0.00 0.00 52.55 52.23 1w49 s ASP 6 Cb 0.05 0.33 0.67 0.00 -0.34 0.00 0.00 42.92 43.63 1w49 s ASP 6 CO -0.08 -0.85 1.70 0.00 0.68 0.00 0.00 175.17 176.63 1w49 h ALA 7 N 2.03 1.36 0.59 2.11 0.00 -2.01 -1.47 119.26 121.87 1w49 h ALA 7 Ca -0.36 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1w49 h ALA 7 Cb 1.26 0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1w49 h ALA 7 CO 0.58 -0.30 -0.28 0.87 0.00 0.00 0.00 179.25 180.11 1w49 h LYS 8 N 0.42 -0.77 -0.31 0.00 1.57 -1.99 -1.92 116.57 113.57 1w49 h LYS 8 Ca 0.53 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.41 1w49 h LYS 8 Cb 0.96 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1w49 h LYS 8 CO -0.50 -0.46 0.21 0.66 -0.57 0.00 0.00 179.45 178.79 1w49 h SER 9 N -1.11 0.18 -0.19 0.86 4.64 -1.93 -1.11 113.55 114.88 1w49 h SER 9 Ca -0.08 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.07 1w49 h SER 9 Cb 0.66 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1w49 h SER 9 CO 0.13 0.12 -0.55 0.15 -0.87 0.00 0.00 176.83 175.81 1w49 h PHE 10 N 0.20 0.93 -0.34 4.77 3.57 -1.25 -1.19 116.94 123.63 1w49 h PHE 10 Ca 0.14 -0.37 -0.05 0.00 3.53 0.00 0.00 57.97 61.22 1w49 h PHE 10 Cb 0.29 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1w49 h PHE 10 CO -0.00 1.17 -0.01 0.00 -2.23 0.00 0.00 178.31 177.24 1w49 h ALA 11 N 0.58 1.35 -0.35 2.41 0.00 -0.65 -1.40 119.26 121.20 1w49 h ALA 11 Ca -0.01 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1w49 h ALA 11 Cb 1.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1w49 h ALA 11 CO 0.12 0.45 -0.39 0.87 0.00 0.00 0.00 179.25 180.29 1w49 h LYS 12 N 0.51 0.85 -0.46 0.00 1.57 -1.02 -1.95 116.57 116.06 1w49 h LYS 12 Ca 0.11 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1w49 h LYS 12 Cb 0.34 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1w49 h LYS 12 CO 0.01 1.09 0.20 1.25 -0.57 0.00 0.00 179.45 181.42 1w49 h LEU 13 N 0.69 0.62 -0.70 2.94 5.85 -0.70 -1.29 115.31 122.73 1w49 h LEU 13 Ca 0.06 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1w49 h LEU 13 Cb 0.97 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1w49 h LEU 13 CO 0.09 0.61 0.21 0.03 -0.34 0.00 0.00 178.44 179.04 1w49 h ARG 14 N 0.60 1.09 -0.78 1.25 2.47 -1.21 -0.31 114.38 117.48 1w49 h ARG 14 Ca 0.16 -0.24 -0.04 0.00 -1.26 0.00 0.00 59.98 58.59 1w49 h ARG 14 Cb 0.17 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 1w49 h ARG 14 CO -0.01 0.94 0.32 0.00 0.56 0.00 0.00 179.97 181.77 1w49 h ALA 15 N 1.10 1.08 -0.35 0.04 0.00 -1.08 0.57 119.26 120.61 1w49 h ALA 15 Ca 0.22 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1w49 h ALA 15 Cb 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1w49 h ALA 15 CO -0.01 0.66 -0.35 0.00 0.00 0.00 0.00 179.25 179.55 1w49 h ALA 16 N 1.20 0.71 -0.18 0.00 0.00 -0.90 -1.74 119.26 118.35 1w49 h ALA 16 Ca 0.26 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1w49 h ALA 16 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1w49 h ALA 16 CO -0.02 0.66 -0.03 1.96 0.00 0.00 0.00 179.25 181.82 1w49 h GLN 17 N 0.68 0.34 -0.66 0.00 4.20 -0.69 -1.07 115.11 117.91 1w49 h GLN 17 Ca 0.07 -0.13 0.12 0.00 0.06 0.00 0.00 58.65 58.77 1w49 h GLN 17 Cb 0.90 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.57 1w49 h GLN 17 CO 0.08 0.59 0.20 -0.92 -0.67 0.00 0.00 178.83 178.12 1w49 h TYR 18 N 0.06 0.34 -0.69 2.96 5.03 -0.78 -1.36 116.97 122.53 1w49 h TYR 18 Ca 0.05 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.35 1w49 h TYR 18 Cb 0.46 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.66 1w49 h TYR 18 CO 0.05 0.01 0.24 0.00 -1.32 0.00 0.00 178.16 177.14 1w49 h ALA 19 N 1.50 1.12 -0.48 1.82 0.00 -1.01 -0.05 119.26 122.16 1w49 h ALA 19 Ca 0.35 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.20 1w49 h ALA 19 Cb 0.52 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1w49 h ALA 19 CO -0.40 0.62 0.35 0.00 0.00 0.00 0.00 179.25 179.81 1w49 h ALA 20 N 1.25 2.44 0.00 0.00 0.00 -0.03 -0.37 119.26 122.55 1w49 h ALA 20 Ca 0.23 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.78 1w49 h ALA 20 Cb 0.25 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1w49 h ALA 20 CO -0.01 -0.58 -2.07 0.34 0.00 0.00 0.00 179.25 176.93 1w49 n PHE 21 N -4.40 0.13 0.07 0.00 7.35 -0.89 -1.46 117.46 118.26 1w49 n PHE 21 Ca 0.09 0.06 -0.12 0.00 -0.76 0.00 0.00 57.45 56.71 1w49 n PHE 21 Cb 0.55 -0.91 -0.04 0.00 0.35 0.00 0.00 39.48 39.44 1w49 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1w49 h HIS 22 N -1.00 0.49 0.00 -5.13 3.86 -0.99 -3.40 115.15 108.97 1w49 h HIS 22 Ca -0.52 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 58.42 1w49 h HIS 22 Cb 1.44 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.85 1w49 h HIS 22 CO -0.14 1.09 -0.99 0.25 0.86 0.00 0.00 177.93 179.00 1w49 n THR 23 N -3.71 0.00 -1.30 2.45 -2.24 -0.76 -5.04 114.28 103.68 1w49 n THR 23 Ca -0.06 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.37 1w49 n THR 23 Cb 0.83 -0.54 0.08 0.00 -2.10 0.00 0.00 70.33 68.60 1w49 n THR 23 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1w49 n ASP 24 N -1.83 -0.11 -4.75 3.42 9.92 -0.22 -4.90 116.55 118.09 1w49 n ASP 24 Ca 0.00 0.63 -0.41 0.00 -0.53 0.00 0.00 54.79 54.48 1w49 n ASP 24 Cb 0.34 -1.34 -0.03 0.00 -0.64 0.00 0.00 41.12 39.46 1w49 n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1w49 s ALA 25 N -1.88 3.56 0.27 2.24 0.00 -1.26 -4.92 121.76 119.78 1w49 s ALA 25 Ca 0.70 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 53.59 1w49 s ALA 25 Cb -0.34 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.14 1w49 s ALA 25 CO 0.53 -0.64 1.58 -2.30 0.00 0.00 0.00 175.76 174.93 1w49 n PRO 26 N 2.13 2.58 -0.74 0.00 -0.02 -1.26 -1.86 135.00 135.83 1w49 n PRO 26 Ca 0.05 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1w49 n PRO 26 Cb 0.41 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1w49 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w49 n GLY 27 N 2.43 1.52 0.24 -1.23 0.00 -0.68 -4.84 105.19 102.63 1w49 n GLY 27 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 1w49 n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1w49 h SER 28 N 0.00 0.42 -0.37 1.61 4.64 -1.60 -2.54 113.55 115.73 1w49 h SER 28 Ca 0.00 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 1w49 h SER 28 Cb 0.00 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1w49 h SER 28 CO 0.00 0.64 0.13 -0.25 -0.87 0.00 0.00 176.83 176.48 1w49 h TRP 29 N 0.39 0.57 -0.22 4.77 2.91 -1.84 -1.20 115.95 121.33 1w49 h TRP 29 Ca 0.06 -0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.07 1w49 h TRP 29 Cb 0.58 -0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 29.03 1w49 h TRP 29 CO 0.02 0.53 -0.02 0.35 -1.03 0.00 0.00 178.44 178.29 1w49 h PHE 30 N 0.44 -0.04 -0.67 2.65 3.57 -1.64 -0.12 116.94 121.13 1w49 h PHE 30 Ca 0.12 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1w49 h PHE 30 Cb 0.22 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 1w49 h PHE 30 CO 0.00 -0.05 0.35 -0.44 -2.23 0.00 0.00 178.31 175.94 1w49 h ASP 31 N 0.05 0.48 -0.30 0.41 3.45 -1.20 0.21 116.42 119.52 1w49 h ASP 31 Ca 0.11 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.59 1w49 h ASP 31 Cb 0.14 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 1w49 h ASP 31 CO -0.19 0.30 0.13 -0.74 -1.57 0.00 0.00 179.24 177.16 1w49 h HIS 32 N 0.62 0.45 0.00 4.55 2.76 -0.67 -1.76 115.15 121.10 1w49 h HIS 32 Ca 0.31 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.37 1w49 h HIS 32 Cb 0.27 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1w49 h HIS 32 CO -0.10 0.43 -0.39 1.79 -1.30 0.00 0.00 177.93 178.36 1w49 h THR 33 N 0.34 1.17 -0.70 6.26 1.35 -0.34 -1.50 112.91 119.49 1w49 h THR 33 Ca 0.10 -1.40 -0.02 0.00 -0.55 0.00 0.00 66.41 64.54 1w49 h THR 33 Cb 0.16 1.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.33 1w49 h THR 33 CO -0.01 0.39 0.35 0.28 -0.25 0.00 0.00 175.52 176.28 1w49 h SER 34 N 0.00 0.89 -0.68 5.36 0.02 -0.25 -0.14 113.55 118.75 1w49 h SER 34 Ca -0.00 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1w49 h SER 34 Cb 0.75 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1w49 h SER 34 CO 0.05 0.76 0.36 1.23 -1.14 0.00 0.00 176.83 178.09 1w49 h GLY 35 N 0.96 1.03 1.01 -3.77 0.00 -0.55 -0.97 103.07 100.78 1w49 h GLY 35 Ca 0.24 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1w49 h GLY 35 CO -0.03 0.46 0.11 -2.08 0.00 0.00 0.00 176.54 175.00 1w49 h VAL 36 N 0.94 1.25 -0.62 4.60 2.07 -0.77 -2.02 116.25 121.69 1w49 h VAL 36 Ca 0.24 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 1w49 h VAL 36 Cb 0.07 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1w49 h VAL 36 CO -0.04 0.34 0.09 -0.07 0.02 0.00 0.00 177.57 177.92 1w49 h LEU 37 N 0.80 1.00 -1.42 2.57 3.38 -0.75 -2.74 115.31 118.16 1w49 h LEU 37 Ca 0.17 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1w49 h LEU 37 Cb 0.39 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1w49 h LEU 37 CO 0.01 1.02 -0.11 1.05 0.09 0.00 0.00 178.44 180.49 1w49 h GLU 38 N 0.95 0.00 -0.00 1.13 4.11 -1.02 -2.70 114.58 117.05 1w49 h GLU 38 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1w49 h GLU 38 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1w49 h GLU 38 CO 0.01 0.11 -0.06 -1.13 0.07 0.00 0.00 179.01 178.01 1w49 n SER 39 N -3.28 0.08 -4.77 3.06 3.41 -0.77 -4.89 113.62 106.45 1w49 n SER 39 Ca -0.00 0.26 -0.40 0.00 -0.26 0.00 0.00 58.87 58.47 1w49 n SER 39 Cb 0.34 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 1w49 n SER 39 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1w49 s VAL 40 N -2.91 2.56 0.26 -3.33 1.01 -1.02 -4.95 120.40 112.02 1w49 s VAL 40 Ca 0.17 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 1w49 s VAL 40 Cb 0.19 -3.32 -0.13 0.00 0.00 0.00 0.00 36.38 33.11 1w49 s VAL 40 CO 0.54 0.10 1.35 -0.62 0.00 0.00 0.00 175.10 176.47 1w49 n GLU 41 N 0.40 1.98 -1.68 2.72 1.02 -1.26 -4.88 120.64 118.94 1w49 n GLU 41 Ca 0.02 0.70 -0.41 0.00 -0.02 0.00 0.00 57.16 57.45 1w49 n GLU 41 Cb 0.42 -2.32 0.01 0.00 -0.02 0.00 0.00 31.44 29.53 1w49 n GLU 41 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1w49 n ASP 42 N 1.80 2.24 0.00 1.62 8.00 -1.26 -1.71 116.55 127.23 1w49 n ASP 42 Ca 0.10 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.70 1w49 n ASP 42 Cb 0.32 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 1w49 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1w49 n GLY 43 N 0.90 0.80 3.73 0.44 0.00 -1.26 -4.99 105.19 104.80 1w49 n GLY 43 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1w49 n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w49 s THR 44 N -3.20 4.07 0.10 2.61 2.01 -0.70 -4.97 115.64 115.56 1w49 s THR 44 Ca 0.00 1.63 -0.31 0.00 0.31 0.00 0.00 61.69 63.32 1w49 s THR 44 Cb 0.00 -4.04 -0.09 0.00 0.01 0.00 0.00 72.50 68.38 1w49 s THR 44 CO 0.00 0.21 1.55 -2.84 -0.69 0.00 0.00 174.62 172.85 1w49 s PRO 45 N 0.30 4.24 -0.00 4.92 0.02 -1.26 -4.22 135.00 138.99 1w49 s PRO 45 Ca 0.53 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1w49 s PRO 45 Cb -0.28 -3.37 -0.00 0.00 0.02 0.00 0.00 34.50 30.86 1w49 s PRO 45 CO 0.32 -0.62 0.01 1.33 -0.33 0.00 0.00 177.00 177.71 1w49 n VAL 46 N 4.30 0.00 -3.70 3.83 0.24 0.20 -4.57 118.33 118.63 1w49 n VAL 46 Ca 0.14 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.34 62.10 1w49 n VAL 46 Cb 0.40 0.73 -0.11 0.00 -1.47 0.00 0.00 33.84 33.40 1w49 n VAL 46 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1w49 s LEU 47 N -2.54 -0.05 -0.09 1.34 2.96 -1.05 -0.93 118.68 118.32 1w49 s LEU 47 Ca -0.00 0.88 0.04 0.00 -0.22 0.00 0.00 54.13 54.83 1w49 s LEU 47 Cb 0.00 1.33 0.00 0.00 0.50 0.00 0.00 46.19 48.03 1w49 s LEU 47 CO 0.01 -0.19 -0.21 0.00 -1.32 0.00 0.00 176.35 174.65 1w49 s ALA 48 N 1.34 1.90 0.02 5.97 0.00 -0.64 -0.15 121.76 130.20 1w49 s ALA 48 Ca -0.09 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1w49 s ALA 48 Cb -0.08 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1w49 s ALA 48 CO -0.12 0.25 -0.10 -1.50 0.00 0.00 0.00 175.76 174.29 1w49 s ILE 49 N 0.37 0.80 -0.01 0.00 2.07 -0.53 -0.41 121.20 123.50 1w49 s ILE 49 Ca -0.16 -0.73 -0.30 0.00 -1.41 0.00 0.00 60.65 58.05 1w49 s ILE 49 Cb -0.17 -0.73 -0.03 0.00 0.13 0.00 0.00 42.46 41.66 1w49 s ILE 49 CO 0.07 0.01 0.97 -0.83 -1.91 0.00 0.00 174.94 173.26 1w49 s GLY 50 N -0.80 2.88 0.85 1.50 0.00 -1.26 -0.92 107.32 109.58 1w49 s GLY 50 Ca 0.00 0.53 -0.11 0.00 0.00 0.00 0.00 44.72 45.14 1w49 s GLY 50 CO 0.00 1.69 1.19 -1.34 0.00 0.00 0.00 173.10 174.64 1w49 s VAL 51 N 1.04 2.07 0.30 1.40 -7.23 0.13 -4.79 120.40 113.33 1w49 s VAL 51 Ca 0.52 -0.15 0.05 0.00 -1.81 0.00 0.00 61.98 60.59 1w49 s VAL 51 Cb -0.21 -2.92 0.32 0.00 0.56 0.00 0.00 36.38 34.14 1w49 s VAL 51 CO 0.27 0.00 1.65 -0.08 -0.31 0.00 0.00 175.10 176.63 1w49 h GLU 52 N -1.19 0.22 0.00 4.82 4.81 -1.88 0.22 114.58 121.58 1w49 h GLU 52 Ca -0.43 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1w49 h GLU 52 Cb 1.27 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1w49 h GLU 52 CO 0.46 0.14 0.00 0.66 -0.73 0.00 0.00 179.01 179.54 1w49 h SER 53 N 0.22 0.00 0.00 1.04 4.64 -1.95 -1.99 113.55 115.51 1w49 h SER 53 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1w49 h SER 53 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1w49 h SER 53 CO -0.66 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.91 1w49 n GLY 54 N -0.21 1.52 3.76 -0.77 0.00 0.07 -4.74 105.19 104.81 1w49 n GLY 54 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1w49 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w49 s ASP 55 N -1.79 3.45 0.07 1.61 -0.00 -1.26 -4.74 116.67 114.01 1w49 s ASP 55 Ca 0.00 1.08 0.08 0.00 -0.00 0.00 0.00 52.55 53.71 1w49 s ASP 55 Cb 0.00 -1.70 -0.03 0.00 -0.00 0.00 0.00 42.92 41.19 1w49 s ASP 55 CO 0.00 -2.60 -0.23 0.00 -0.00 0.00 0.00 175.17 172.35 1w49 s ALA 56 N -3.18 1.93 0.16 5.23 0.00 -1.26 0.19 121.76 124.83 1w49 s ALA 56 Ca 0.64 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 51.48 1w49 s ALA 56 Cb -0.16 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1w49 s ALA 56 CO 0.54 0.43 -0.03 0.96 0.00 0.00 0.00 175.76 177.66 1w49 s ILE 57 N -0.92 3.58 -0.00 0.00 -4.36 -0.10 -1.94 121.20 117.47 1w49 s ILE 57 Ca 0.09 -1.42 0.08 0.00 -0.26 0.00 0.00 60.65 59.14 1w49 s ILE 57 Cb -0.09 -2.77 -0.02 0.00 1.25 0.00 0.00 42.46 40.83 1w49 s ILE 57 CO 0.03 -0.06 -0.24 -0.69 0.24 0.00 0.00 174.94 174.22 1w49 s VAL 58 N -1.62 1.87 0.22 8.37 1.01 -1.26 -1.45 120.40 127.54 1w49 s VAL 58 Ca 0.26 -1.07 0.11 0.00 0.00 0.00 0.00 61.98 61.27 1w49 s VAL 58 Cb -0.10 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1w49 s VAL 58 CO 0.17 0.48 -0.21 -0.36 0.00 0.00 0.00 175.10 175.18 1w49 s PHE 59 N -0.61 2.13 0.46 5.22 0.40 0.79 -0.65 117.98 125.73 1w49 s PHE 59 Ca 0.09 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.10 1w49 s PHE 59 Cb -0.09 -1.01 0.08 0.00 0.51 0.00 0.00 43.02 42.51 1w49 s PHE 59 CO -0.00 0.52 0.64 -0.40 0.70 0.00 0.00 175.22 176.67 1w49 n ASP 60 N -0.07 1.61 0.28 1.36 5.68 -0.53 -0.63 116.55 124.25 1w49 n ASP 60 Ca -0.10 -2.18 0.18 0.00 -0.50 0.00 0.00 54.79 52.19 1w49 n ASP 60 Cb 0.58 -0.34 0.96 0.00 -1.14 0.00 0.00 41.12 41.18 1w49 n ASP 60 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1w49 h LYS 61 N 0.00 0.00 -0.63 0.11 2.10 -1.89 -1.09 116.57 115.18 1w49 h LYS 61 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 1w49 h LYS 61 Cb 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1w49 h LYS 61 CO 0.30 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.84 1w49 n ASN 62 N -3.54 3.78 -2.17 7.07 5.03 -1.26 -4.90 115.26 119.27 1w49 n ASN 62 Ca -0.01 -2.37 -0.17 0.00 0.87 0.00 0.00 54.58 52.89 1w49 n ASN 62 Cb 0.18 -0.51 0.01 0.00 -1.02 0.00 0.00 39.78 38.44 1w49 n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1w49 n ALA 63 N 0.76 -0.63 -2.74 5.41 0.00 -0.41 -5.00 120.51 117.89 1w49 n ALA 63 Ca 0.20 0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.48 1w49 n ALA 63 Cb 0.73 -2.55 -0.11 0.00 0.00 0.00 0.00 19.45 17.52 1w49 n ALA 63 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1w49 s GLN 64 N -5.15 3.18 0.20 0.00 -1.52 -1.26 -4.88 119.66 110.23 1w49 s GLN 64 Ca 0.13 -0.46 -0.30 0.00 -1.95 0.00 0.00 55.36 52.77 1w49 s GLN 64 Cb -0.06 -2.81 -0.09 0.00 -0.22 0.00 0.00 33.01 29.83 1w49 s GLN 64 CO 0.16 0.55 1.41 1.03 -0.25 0.00 0.00 175.29 178.19 1w49 s ARG 65 N -0.46 4.30 -0.32 2.91 0.52 -1.26 -1.45 118.95 123.19 1w49 s ARG 65 Ca 0.08 2.20 -0.17 0.00 -0.52 0.00 0.00 55.73 57.33 1w49 s ARG 65 Cb -0.12 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.17 1w49 s ARG 65 CO 0.02 -0.40 0.44 0.42 0.02 0.00 0.00 175.30 175.80 1w49 s ILE 66 N 0.38 5.10 -0.06 1.52 1.01 0.17 -4.92 121.20 124.40 1w49 s ILE 66 Ca 0.61 0.39 0.01 0.00 0.00 0.00 0.00 60.65 61.66 1w49 s ILE 66 Cb -0.40 -3.85 -0.25 0.00 0.01 0.00 0.00 42.46 37.97 1w49 s ILE 66 CO 0.38 -0.06 0.61 -0.37 0.00 0.00 0.00 174.94 175.50 1w49 h VAL 67 N 5.52 0.85 -3.33 2.92 -1.51 -1.90 -3.42 116.25 115.38 1w49 h VAL 67 Ca -0.29 -2.60 -0.40 0.00 -1.23 0.00 0.00 66.70 62.18 1w49 h VAL 67 Cb 1.14 2.55 -0.37 0.00 -2.13 0.00 0.00 31.29 32.48 1w49 h VAL 67 CO 0.71 0.74 -0.76 0.00 -1.23 0.00 0.00 177.57 177.03 1w49 s ALA 68 N -2.59 0.53 -0.15 5.19 0.00 -1.26 -0.21 121.76 123.28 1w49 s ALA 68 Ca -0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 1w49 s ALA 68 Cb 0.07 -0.62 0.07 0.00 0.00 0.00 0.00 23.12 22.65 1w49 s ALA 68 CO 0.81 -0.36 0.24 -0.47 0.00 0.00 0.00 175.76 175.98 1w49 s TYR 69 N 1.76 -0.36 0.33 0.00 6.14 0.14 -4.92 117.35 120.43 1w49 s TYR 69 Ca 0.01 0.71 -0.27 0.00 0.64 0.00 0.00 57.07 58.16 1w49 s TYR 69 Cb -0.13 -0.16 -0.09 0.00 0.42 0.00 0.00 41.96 42.01 1w49 s TYR 69 CO -0.04 -0.42 1.11 0.15 0.64 0.00 0.00 175.55 176.99 1w49 s LYS 70 N 2.38 4.40 0.03 4.97 1.02 -1.26 -0.16 119.74 131.12 1w49 s LYS 70 Ca 0.04 1.75 -0.26 0.00 0.02 0.00 0.00 55.97 57.52 1w49 s LYS 70 Cb -0.13 -2.92 -0.13 0.00 -0.52 0.00 0.00 37.83 34.12 1w49 s LYS 70 CO -0.09 0.01 0.65 -1.91 -0.92 0.00 0.00 175.35 173.08 1w49 n GLU 71 N 0.64 0.00 -3.68 1.68 2.13 -1.26 -4.79 120.64 115.37 1w49 n GLU 71 Ca 0.01 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.74 1w49 n GLU 71 Cb 0.46 -0.95 -0.10 0.00 0.27 0.00 0.00 31.44 31.12 1w49 n GLU 71 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1w49 s LYS 72 N -0.16 0.42 0.22 5.31 2.36 -0.93 -5.00 119.74 121.95 1w49 s LYS 72 Ca 0.58 0.93 0.08 0.00 -2.55 0.00 0.00 55.97 55.02 1w49 s LYS 72 Cb -0.82 0.11 -0.04 0.00 -1.05 0.00 0.00 37.83 36.03 1w49 s LYS 72 CO 0.39 -0.18 -0.00 -1.12 1.55 0.00 0.00 175.35 175.99 1w49 s SER 73 N 1.78 4.65 -0.08 1.43 0.01 -1.26 -1.81 113.70 118.41 1w49 s SER 73 Ca -0.08 -0.51 -0.03 0.00 1.31 0.00 0.00 55.95 56.64 1w49 s SER 73 Cb -0.09 -0.93 0.05 0.00 0.21 0.00 0.00 66.02 65.26 1w49 s SER 73 CO -0.14 0.05 0.16 -0.69 0.41 0.00 0.00 173.24 173.03 1w49 s VAL 74 N -1.99 -0.23 -0.13 3.43 1.01 0.74 -4.96 120.40 118.27 1w49 s VAL 74 Ca 0.29 0.32 -0.26 0.00 0.00 0.00 0.00 61.98 62.34 1w49 s VAL 74 Cb -0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1w49 s VAL 74 CO 0.19 0.13 0.83 -0.75 0.00 0.00 0.00 175.10 175.50 1w49 s LYS 75 N 2.09 4.35 0.74 2.72 2.20 -1.26 0.12 119.74 130.70 1w49 s LYS 75 Ca 0.01 1.04 -0.11 0.00 -0.36 0.00 0.00 55.97 56.55 1w49 s LYS 75 Cb -0.12 -3.54 0.17 0.00 -1.51 0.00 0.00 37.83 32.83 1w49 s LYS 75 CO -0.06 -0.23 1.01 0.00 -0.36 0.00 0.00 175.35 175.71 1w49 n ALA 76 N 4.84 -0.97 0.17 3.13 0.00 0.22 -4.95 120.51 122.94 1w49 n ALA 76 Ca 0.04 -1.41 -0.14 0.00 0.00 0.00 0.00 53.44 51.92 1w49 n ALA 76 Cb 0.49 -0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 1w49 n ALA 76 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1w49 h GLU 77 N 0.00 -0.37 0.00 0.00 4.81 -1.97 -2.50 114.58 114.55 1w49 h GLU 77 Ca -0.33 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1w49 h GLU 77 Cb 0.95 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1w49 h GLU 77 CO 0.25 -0.16 0.00 -0.40 -0.73 0.00 0.00 179.01 177.97 1w49 n ASP 78 N -5.20 0.00 0.00 1.04 3.85 -1.26 -4.77 116.55 110.20 1w49 n ASP 78 Ca -0.10 -0.32 0.00 0.00 -0.71 0.00 0.00 54.79 53.66 1w49 n ASP 78 Cb 0.21 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 1w49 n ASP 78 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1w49 n GLY 79 N -0.40 2.31 3.69 6.12 0.00 -0.94 -5.06 105.19 110.92 1w49 n GLY 79 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1w49 n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w49 s SER 80 N -1.48 3.20 -0.09 1.61 1.04 -1.26 -4.57 113.70 112.14 1w49 s SER 80 Ca 0.00 2.17 0.04 0.00 0.48 0.00 0.00 55.95 58.64 1w49 s SER 80 Cb 0.00 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 1w49 s SER 80 CO 0.00 -2.92 -0.22 -0.69 0.98 0.00 0.00 173.24 170.39 1w49 s VAL 81 N -2.61 2.26 -0.18 5.02 1.01 -1.26 0.73 120.40 125.37 1w49 s VAL 81 Ca 0.67 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1w49 s VAL 81 Cb -0.23 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1w49 s VAL 81 CO 0.57 0.56 0.08 -0.55 0.00 0.00 0.00 175.10 175.75 1w49 s SER 82 N 0.18 5.78 -0.03 3.32 0.15 0.12 -4.92 113.70 118.30 1w49 s SER 82 Ca -0.13 0.14 0.05 0.00 0.70 0.00 0.00 55.95 56.72 1w49 s SER 82 Cb -0.16 -1.97 -0.01 0.00 -1.71 0.00 0.00 66.02 62.17 1w49 s SER 82 CO 0.07 0.20 -0.19 -0.69 1.20 0.00 0.00 173.24 173.83 1w49 s VAL 83 N 0.19 1.53 -0.05 4.45 1.01 -1.26 -0.19 120.40 126.08 1w49 s VAL 83 Ca 0.05 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1w49 s VAL 83 Cb -0.12 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1w49 s VAL 83 CO 0.00 0.43 -0.04 -0.69 0.00 0.00 0.00 175.10 174.81 1w49 s VAL 84 N -0.27 0.53 -0.11 2.92 1.01 -0.75 -2.34 120.40 121.39 1w49 s VAL 84 Ca 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1w49 s VAL 84 Cb -0.09 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.76 1w49 s VAL 84 CO 0.01 0.23 0.27 -1.58 0.00 0.00 0.00 175.10 174.03 1w49 s GLN 85 N 1.08 0.25 -0.08 2.72 0.74 0.10 -2.20 119.66 122.27 1w49 s GLN 85 Ca -0.08 0.53 0.02 0.00 0.05 0.00 0.00 55.36 55.88 1w49 s GLN 85 Cb -0.14 -0.06 0.01 0.00 1.10 0.00 0.00 33.01 33.92 1w49 s GLN 85 CO -0.01 -0.14 -0.15 0.08 -0.55 0.00 0.00 175.29 174.52 1w49 s VAL 86 N 1.07 1.38 -0.01 1.34 1.01 0.77 0.77 120.40 126.72 1w49 s VAL 86 Ca -0.08 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1w49 s VAL 86 Cb -0.08 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1w49 s VAL 86 CO -0.07 0.41 -0.05 -0.70 0.00 0.00 0.00 175.10 174.68 1w49 s GLU 87 N 0.68 0.57 -1.67 2.72 2.12 -0.45 0.27 118.70 122.94 1w49 s GLU 87 Ca -0.14 -0.18 -0.18 0.00 0.36 0.00 0.00 54.97 54.83 1w49 s GLU 87 Cb -0.16 -0.57 0.15 0.00 0.26 0.00 0.00 34.13 33.81 1w49 s GLU 87 CO 0.04 0.07 0.79 0.09 -0.54 0.00 0.00 175.26 175.71 1w49 n ASN 88 N 3.25 -3.47 0.00 -1.70 4.13 -1.09 -0.78 115.26 115.60 1w49 n ASN 88 Ca -0.17 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.14 1w49 n ASN 88 Cb 0.56 -2.83 0.00 0.00 -1.54 0.00 0.00 39.78 35.96 1w49 n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1w49 n GLY 89 N -1.39 0.54 3.12 7.41 0.00 0.71 -5.02 105.19 110.55 1w49 n GLY 89 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1w49 n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1w49 s PHE 90 N -2.32 1.20 0.05 1.61 0.40 0.04 -4.59 117.98 114.36 1w49 s PHE 90 Ca 0.00 -0.29 -0.30 0.00 -0.60 0.00 0.00 56.93 55.74 1w49 s PHE 90 Cb 0.00 -0.74 -0.09 0.00 0.51 0.00 0.00 43.02 42.70 1w49 s PHE 90 CO 0.00 0.01 1.84 1.41 0.70 0.00 0.00 175.22 179.18 1w49 s MET 91 N -0.71 4.15 -0.19 0.44 -2.45 -0.82 -1.34 119.30 118.38 1w49 s MET 91 Ca 0.03 2.51 -0.03 0.00 -1.25 0.00 0.00 55.69 56.95 1w49 s MET 91 Cb -0.06 -3.93 -0.21 0.00 1.25 0.00 0.00 34.83 31.88 1w49 s MET 91 CO 0.00 -0.88 0.05 1.17 1.05 0.00 0.00 175.02 176.41 1w49 n LYS 92 N 6.78 0.70 -4.17 4.11 3.00 0.23 -4.78 118.16 124.04 1w49 n LYS 92 Ca 0.18 0.21 -0.16 0.00 -0.00 0.00 0.00 58.31 58.55 1w49 n LYS 92 Cb 0.41 -1.61 -0.14 0.00 0.00 0.00 0.00 35.03 33.68 1w49 n LYS 92 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1w49 s GLN 93 N -2.53 0.45 0.00 1.64 -0.21 -0.97 -4.94 119.66 113.09 1w49 s GLN 93 Ca -0.29 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 54.87 1w49 s GLN 93 Cb 0.08 -0.42 0.00 0.00 1.00 0.00 0.00 33.01 33.67 1w49 s GLN 93 CO 0.68 0.11 0.00 0.41 -2.12 0.00 0.00 175.29 174.37 1w49 n GLY 94 N 2.88 0.89 3.19 3.09 0.00 -0.99 -0.72 105.19 113.53 1w49 n GLY 94 Ca -0.13 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 1w49 n GLY 94 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1w49 s HIS 95 N -2.11 1.03 0.34 1.61 -3.43 -1.26 -5.04 115.29 106.43 1w49 s HIS 95 Ca 0.00 -1.31 -0.24 0.00 -0.80 0.00 0.00 55.06 52.71 1w49 s HIS 95 Cb 0.00 -0.51 -0.10 0.00 -1.43 0.00 0.00 32.58 30.54 1w49 s HIS 95 CO 0.00 -0.60 0.92 1.03 -2.00 0.00 0.00 174.74 174.08 1w49 s ARG 96 N -4.12 4.44 0.00 -0.38 0.52 -1.26 -4.65 118.95 113.51 1w49 s ARG 96 Ca 0.33 1.21 0.00 0.00 -0.52 0.00 0.00 55.73 56.75 1w49 s ARG 96 Cb 0.07 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.90 1w49 s ARG 96 CO 0.08 0.21 0.00 0.41 0.02 0.00 0.00 175.30 176.02 1w49 n GLY 97 N 0.24 -0.28 3.71 -3.53 0.00 0.45 -4.95 105.19 100.82 1w49 n GLY 97 Ca 0.03 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 1w49 n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1w49 s TRP 98 N 0.00 3.09 -2.44 1.61 0.52 -1.26 -1.63 118.94 118.83 1w49 s TRP 98 Ca 0.00 0.87 0.27 0.00 0.02 0.00 0.00 56.10 57.26 1w49 s TRP 98 Cb 0.00 -3.70 0.81 0.00 -1.15 0.00 0.00 33.47 29.43 1w49 s TRP 98 CO 0.00 -2.52 1.61 1.28 0.02 0.00 0.00 176.95 177.34 1w49 n LEU 99 N 4.39 1.70 -4.25 2.99 4.77 -0.11 -4.84 117.00 121.65 1w49 n LEU 99 Ca 0.12 -0.56 -0.17 0.00 -0.03 0.00 0.00 56.01 55.37 1w49 n LEU 99 Cb 0.42 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1w49 n LEU 99 CO 0.59 0.29 -0.44 0.68 -1.33 0.00 0.00 177.39 177.17 1w49 s VAL 100 N -2.10 1.32 -0.26 4.08 -7.23 -1.26 -4.91 120.40 110.04 1w49 s VAL 100 Ca 0.33 -1.79 -0.27 0.00 -1.81 0.00 0.00 61.98 58.44 1w49 s VAL 100 Cb 0.20 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.56 1w49 s VAL 100 CO 0.37 -0.48 0.97 -0.62 -0.31 0.00 0.00 175.10 175.03 1w49 s ASP 101 N -2.60 6.96 -0.13 4.85 2.15 -1.26 -4.89 116.67 121.74 1w49 s ASP 101 Ca 0.11 1.16 0.12 0.00 0.43 0.00 0.00 52.55 54.37 1w49 s ASP 101 Cb -0.04 -2.50 -0.17 0.00 -0.30 0.00 0.00 42.92 39.92 1w49 s ASP 101 CO 0.03 -0.66 0.04 0.18 -0.17 0.00 0.00 175.17 174.59 1w49 n LEU 102 N 6.33 0.03 -0.09 -1.34 4.77 -1.26 -4.81 117.00 120.63 1w49 n LEU 102 Ca 0.10 -0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1w49 n LEU 102 Cb 0.47 0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.83 1w49 n LEU 102 CO 0.52 0.34 -0.52 0.35 -1.33 0.00 0.00 177.39 176.74 1w49 n THR 103 N -2.51 1.47 -1.19 -5.08 -2.24 -1.26 -4.89 114.28 98.58 1w49 n THR 103 Ca -0.22 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1w49 n THR 103 Cb 0.94 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 1w49 n THR 103 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w49 n GLY 104 N 1.52 0.70 0.11 3.38 0.00 -1.26 -3.59 105.19 106.04 1w49 n GLY 104 Ca -0.18 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.76 1w49 n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w49 n GLU 105 N 5.88 0.19 -2.88 1.61 1.02 -1.26 -4.33 120.64 120.86 1w49 n GLU 105 Ca 0.00 0.33 -0.44 0.00 -0.02 0.00 0.00 57.16 57.03 1w49 n GLU 105 Cb 0.00 -1.80 -0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1w49 n GLU 105 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1w49 s LEU 106 N -4.28 4.83 0.37 -4.62 2.96 -1.24 -4.97 118.68 111.73 1w49 s LEU 106 Ca 0.07 -2.74 0.08 0.00 -0.22 0.00 0.00 54.13 51.32 1w49 s LEU 106 Cb 0.11 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1w49 s LEU 106 CO 0.44 -0.88 0.17 0.68 -1.32 0.00 0.00 176.35 175.45 1w49 s VAL 107 N 2.22 2.71 -0.74 1.68 -7.23 -1.26 -4.73 120.40 113.05 1w49 s VAL 107 Ca 0.43 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1w49 s VAL 107 Cb -0.02 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1w49 s VAL 107 CO -0.00 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1w49 n GLY 108 N -1.21 0.01 3.90 2.32 0.00 -1.26 -4.94 105.19 104.01 1w49 n GLY 108 Ca -0.02 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 1w49 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w49 n SER 110 N -1.42 2.18 -4.68 0.00 7.64 -1.26 -4.88 113.62 111.20 1w49 n SER 110 Ca -0.03 -3.08 -0.54 0.00 1.01 0.00 0.00 58.87 56.24 1w49 n SER 110 Cb 0.59 -0.66 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 1w49 n SER 110 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1w49 n PRO 111 N 1.42 1.48 -1.68 1.43 -0.02 -1.26 -4.24 135.00 132.13 1w49 n PRO 111 Ca 0.26 0.54 -0.49 0.00 -2.02 0.00 0.00 63.50 61.79 1w49 n PRO 111 Cb 0.44 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 1w49 n PRO 111 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1w49 n VAL 112 N 4.36 0.40 -0.02 -1.45 3.14 -0.54 -1.79 118.33 122.43 1w49 n VAL 112 Ca 0.24 -0.07 -0.05 0.00 -2.96 0.00 0.00 64.34 61.50 1w49 n VAL 112 Cb 0.19 -1.71 -0.13 0.00 -1.06 0.00 0.00 33.84 31.14 1w49 n VAL 112 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1w49 n VAL 113 N 4.61 1.29 -3.64 1.55 3.14 0.56 -1.68 118.33 124.17 1w49 n VAL 113 Ca 0.21 -0.76 -0.02 0.00 -2.96 0.00 0.00 64.34 60.82 1w49 n VAL 113 Cb 0.28 -0.71 -0.01 0.00 -1.06 0.00 0.00 33.84 32.34 1w49 n VAL 113 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1w49 s ALA 114 N -2.74 -2.02 -0.04 1.55 0.00 -1.19 -3.22 121.76 114.08 1w49 s ALA 114 Ca -0.06 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1w49 s ALA 114 Cb 0.08 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1w49 s ALA 114 CO 0.83 -0.93 -0.14 -2.00 0.00 0.00 0.00 175.76 173.52 1w49 s GLU 115 N -2.70 1.53 -0.22 0.00 2.12 -1.26 -0.38 118.70 117.80 1w49 s GLU 115 Ca 0.12 -0.48 -0.13 0.00 0.36 0.00 0.00 54.97 54.84 1w49 s GLU 115 Cb 0.02 -1.33 0.07 0.00 0.26 0.00 0.00 34.13 33.14 1w49 s GLU 115 CO -0.03 0.16 0.53 0.12 -0.54 0.00 0.00 175.26 175.50 1w49 s PHE 116 N 0.22 -0.77 -1.81 5.30 5.36 -0.13 -4.92 117.98 121.23 1w49 s PHE 116 Ca -0.06 1.62 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1w49 s PHE 116 Cb -0.12 0.39 0.00 0.00 -0.34 0.00 0.00 43.02 42.96 1w49 s PHE 116 CO 0.02 -0.40 0.00 0.41 -1.46 0.00 0.00 175.22 173.79 1w49 n GLY 117 N 4.05 -0.43 1.79 13.12 0.00 -1.26 -1.78 105.19 120.69 1w49 n GLY 117 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1w49 n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w49 n GLY 118 N -1.00 0.51 3.14 -0.02 0.00 -1.26 -4.80 105.19 101.76 1w49 n GLY 118 Ca -0.25 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 1w49 n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1w49 s HIS 119 N -2.00 1.29 0.10 1.61 3.76 -0.73 -5.13 115.29 114.19 1w49 s HIS 119 Ca 0.00 -0.31 -0.14 0.00 -0.15 0.00 0.00 55.06 54.47 1w49 s HIS 119 Cb 0.00 -0.79 -0.06 0.00 1.11 0.00 0.00 32.58 32.83 1w49 s HIS 119 CO 0.00 0.02 0.50 1.03 -0.85 0.00 0.00 174.74 175.43 1w49 s ARG 120 N -0.81 3.94 0.02 1.40 0.52 -1.26 -0.96 118.95 121.81 1w49 s ARG 120 Ca 0.04 0.42 0.09 0.00 -0.52 0.00 0.00 55.73 55.76 1w49 s ARG 120 Cb -0.07 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.36 1w49 s ARG 120 CO 0.01 0.54 -0.26 0.71 0.02 0.00 0.00 175.30 176.32 1w49 s TYR 121 N -1.36 2.32 0.37 -0.53 2.02 0.49 -4.98 117.35 115.68 1w49 s TYR 121 Ca 0.34 -0.42 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 1w49 s TYR 121 Cb -0.15 -1.43 -0.05 0.00 -0.40 0.00 0.00 41.96 39.93 1w49 s TYR 121 CO 0.18 0.07 0.67 0.00 -1.57 0.00 0.00 175.55 174.90 1w49 s ALA 122 N -0.74 3.50 0.88 3.71 0.00 -1.26 -0.32 121.76 127.53 1w49 s ALA 122 Ca 0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 1w49 s ALA 122 Cb -0.10 -2.46 0.06 0.00 0.00 0.00 0.00 23.12 20.62 1w49 s ALA 122 CO 0.01 0.01 0.37 -1.13 0.00 0.00 0.00 175.76 175.02 1w49 n SER 123 N -1.42 0.12 0.00 0.00 3.41 -0.74 -4.59 113.62 110.40 1w49 n SER 123 Ca -0.00 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1w49 n SER 123 Cb 0.54 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1w49 n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w49 n GLY 124 N 2.50 -1.65 3.77 5.00 0.00 -0.10 -4.75 105.19 109.96 1w49 n GLY 124 Ca 0.05 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 1w49 n GLY 124 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1w49 s MET 125 N 0.00 3.70 -0.20 1.61 -2.45 -1.26 -0.99 119.30 119.71 1w49 s MET 125 Ca 0.00 -0.22 -0.02 0.00 -1.25 0.00 0.00 55.69 54.20 1w49 s MET 125 Cb 0.00 -3.22 0.00 0.00 1.25 0.00 0.00 34.83 32.87 1w49 s MET 125 CO 0.00 0.55 -0.11 0.08 1.05 0.00 0.00 175.02 176.59 1w49 s VAL 126 N -0.38 2.80 -0.18 10.11 1.01 0.42 0.49 120.40 134.67 1w49 s VAL 126 Ca 0.11 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1w49 s VAL 126 Cb -0.12 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1w49 s VAL 126 CO 0.01 0.47 0.07 -0.63 0.00 0.00 0.00 175.10 175.02 1w49 s ILE 127 N 1.40 4.83 -0.25 2.22 1.01 -0.92 -0.35 121.20 129.14 1w49 s ILE 127 Ca 0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.62 1w49 s ILE 127 Cb -0.14 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 1w49 s ILE 127 CO -0.07 0.46 0.06 -0.69 0.00 0.00 0.00 174.94 174.70 1w49 s VAL 128 N 0.36 4.15 0.00 2.92 1.01 0.65 -1.09 120.40 128.40 1w49 s VAL 128 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1w49 s VAL 128 Cb -0.12 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1w49 s VAL 128 CO -0.00 0.31 0.00 1.07 0.00 0.00 0.00 175.10 176.48 1w49 n THR 129 N 4.90 0.00 0.00 3.92 5.66 -0.46 -0.13 114.28 128.18 1w49 n THR 129 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1w49 n THR 129 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1w49 n THR 129 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1w49 n GLY 130 N 0.00 2.60 3.71 1.09 0.00 -1.26 -2.05 105.19 109.27 1w49 n GLY 130 Ca 0.00 -2.14 -0.25 0.00 0.00 0.00 0.00 46.02 43.63 1w49 n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1w49 n LYS 131 N -1.02 0.69 0.00 1.61 5.02 -1.26 -4.55 118.16 118.65 1w49 n LYS 131 Ca 0.00 -3.33 0.00 0.00 -2.02 0.00 0.00 58.31 52.96 1w49 n LYS 131 Cb 0.00 0.32 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 1w49 n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1w49 n GLY 132 N -1.47 -2.80 0.13 0.72 0.00 -1.26 -4.69 105.19 95.82 1w49 n GLY 132 Ca -0.01 -2.01 0.12 0.00 0.00 0.00 0.00 46.02 44.12 1w49 n GLY 132 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1w49 h ASN 133 N 0.00 0.00 -2.55 1.61 2.35 -1.97 -3.46 115.58 111.56 1w49 h ASN 133 Ca 0.00 -0.05 -0.53 0.00 -0.55 0.00 0.00 56.30 55.17 1w49 h ASN 133 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.39 1w49 h ASN 133 CO 0.00 0.02 1.11 -0.44 -1.65 0.00 0.00 177.43 176.47 1w49 s SER 134 N -5.14 6.53 0.05 5.81 0.01 -1.26 -4.93 113.70 114.77 1w49 s SER 134 Ca 0.06 2.57 -0.30 0.00 1.31 0.00 0.00 55.95 59.59 1w49 s SER 134 Cb 0.10 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 1w49 s SER 134 CO 0.68 -0.97 1.11 -0.83 0.41 0.00 0.00 173.24 173.65 1w49 s GLY 135 N 3.19 2.63 -0.07 3.44 0.00 -1.26 -4.98 107.32 110.27 1w49 s GLY 135 Ca 0.80 0.74 -0.25 0.00 0.00 0.00 0.00 44.72 46.00 1w49 s GLY 135 CO 0.35 1.88 1.00 0.50 0.00 0.00 0.00 173.10 176.83 1w49 h LYS 136 N 6.62 0.12 -0.43 2.90 1.57 -1.97 -3.16 116.57 122.23 1w49 h LYS 136 Ca -0.42 -0.13 0.07 0.00 -1.87 0.00 0.00 60.65 58.30 1w49 h LYS 136 Cb 1.22 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 1w49 h LYS 136 CO 0.78 0.90 0.09 1.15 -0.57 0.00 0.00 179.45 181.80 1w49 h THR 137 N -0.60 0.77 -0.15 -0.16 2.02 -1.98 0.19 112.91 113.01 1w49 h THR 137 Ca -0.02 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 1w49 h THR 137 Cb 0.96 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1w49 h THR 137 CO 0.04 0.04 -0.09 -0.65 0.37 0.00 0.00 175.52 175.23 1w49 h PRO 138 N 0.22 0.23 -0.11 6.66 0.11 -1.89 -2.78 132.00 134.44 1w49 h PRO 138 Ca 0.21 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 1w49 h PRO 138 Cb 0.26 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 1w49 h PRO 138 CO -0.27 0.33 -0.09 1.25 -0.21 0.00 0.00 178.00 179.01 1w49 h LEU 139 N 0.22 0.27 -1.30 2.35 7.12 -1.07 -2.03 115.31 120.88 1w49 h LEU 139 Ca 0.05 -0.47 -0.01 0.00 0.13 0.00 0.00 57.88 57.58 1w49 h LEU 139 Cb 0.30 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.33 1w49 h LEU 139 CO 0.02 0.68 0.31 -0.37 -0.13 0.00 0.00 178.44 178.94 1w49 h VAL 140 N -0.14 1.18 -0.23 1.05 -1.51 -0.88 -0.61 116.25 115.10 1w49 h VAL 140 Ca 0.02 -0.45 -0.14 0.00 -1.23 0.00 0.00 66.70 64.90 1w49 h VAL 140 Cb 0.60 0.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 1w49 h VAL 140 CO 0.02 0.20 -0.43 0.45 -1.23 0.00 0.00 177.57 176.58 1w49 h HIS 141 N 0.80 0.69 -0.24 5.19 3.86 -1.48 -0.78 115.15 123.19 1w49 h HIS 141 Ca 0.20 -0.21 -0.13 0.00 -1.16 0.00 0.00 60.37 59.07 1w49 h HIS 141 Cb 0.03 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1w49 h HIS 141 CO 0.00 0.90 -0.41 0.00 0.86 0.00 0.00 177.93 179.29 1w49 h ALA 142 N 1.07 0.85 -0.32 2.45 0.00 -0.56 -1.77 119.26 120.97 1w49 h ALA 142 Ca 0.04 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1w49 h ALA 142 Cb 0.94 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1w49 h ALA 142 CO 0.08 0.64 -0.38 -0.07 0.00 0.00 0.00 179.25 179.53 1w49 h LEU 143 N 0.46 0.89 -0.97 0.00 3.38 -1.05 -0.89 115.31 117.13 1w49 h LEU 143 Ca 0.04 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1w49 h LEU 143 Cb 0.91 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1w49 h LEU 143 CO 0.08 1.20 0.60 1.23 0.09 0.00 0.00 178.44 181.64 1w49 h GLY 144 N 0.60 1.39 0.91 0.83 0.00 -0.99 0.34 103.07 106.16 1w49 h GLY 144 Ca 0.04 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 1w49 h GLY 144 CO 0.09 0.55 -0.37 -2.09 0.00 0.00 0.00 176.54 174.72 1w49 h GLU 145 N 1.33 0.59 -0.27 4.80 4.22 -1.19 -1.39 114.58 122.66 1w49 h GLU 145 Ca 0.35 -0.38 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 1w49 h GLU 145 Cb -0.09 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1w49 h GLU 145 CO -0.07 0.99 0.14 0.00 -2.18 0.00 0.00 179.01 177.89 1w49 h ALA 146 N 0.60 0.35 0.00 2.92 0.00 -0.84 -2.36 119.26 119.93 1w49 h ALA 146 Ca 0.01 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1w49 h ALA 146 Cb 0.96 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1w49 h ALA 146 CO 0.08 -0.10 -0.49 -0.07 0.00 0.00 0.00 179.25 178.68 1w49 h LEU 147 N 0.32 0.00 -1.20 0.00 3.38 -1.02 -2.81 115.31 113.97 1w49 h LEU 147 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1w49 h LEU 147 Cb 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1w49 h LEU 147 CO -0.01 0.49 0.33 1.23 0.09 0.00 0.00 178.44 180.56 1w49 h GLY 148 N 2.52 0.94 0.00 0.83 0.00 -0.96 -3.46 103.07 102.94 1w49 h GLY 148 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1w49 h GLY 148 CO 0.06 0.41 0.00 0.61 0.00 0.00 0.00 176.54 177.62 1w49 n GLY 149 N -1.20 1.24 0.22 4.60 0.00 -0.91 -0.55 105.19 108.59 1w49 n GLY 149 Ca 0.06 0.44 0.12 0.00 0.00 0.00 0.00 46.02 46.64 1w49 n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w49 h LYS 150 N 0.00 0.00 -6.01 1.61 1.57 -1.90 -3.46 116.57 108.38 1w49 h LYS 150 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1w49 h LYS 150 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1w49 h LYS 150 CO 0.00 0.00 -0.47 -0.51 -0.57 0.00 0.00 179.45 177.90 1w49 s ASP 151 N -6.12 6.35 0.54 0.86 -0.00 0.29 -5.09 116.67 113.49 1w49 s ASP 151 Ca 0.07 0.20 -0.17 0.00 -0.00 0.00 0.00 52.55 52.64 1w49 s ASP 151 Cb 0.05 -1.92 -0.06 0.00 -0.00 0.00 0.00 42.92 40.99 1w49 s ASP 151 CO 0.66 0.08 1.03 -0.54 -0.00 0.00 0.00 175.17 176.40 1w49 s LYS 152 N -3.06 3.61 0.13 8.23 1.02 -1.26 -4.51 119.74 123.90 1w49 s LYS 152 Ca 0.35 1.19 0.03 0.00 0.02 0.00 0.00 55.97 57.56 1w49 s LYS 152 Cb -0.12 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1w49 s LYS 152 CO 0.28 -0.57 0.19 1.52 -0.92 0.00 0.00 175.35 175.85 1w49 s TYR 153 N -2.36 3.33 -0.11 3.18 1.13 -1.26 -4.77 117.35 116.48 1w49 s TYR 153 Ca 0.63 0.09 -0.11 0.00 -1.41 0.00 0.00 57.07 56.27 1w49 s TYR 153 Cb -0.15 -1.62 -0.05 0.00 -1.10 0.00 0.00 41.96 39.04 1w49 s TYR 153 CO 0.30 0.53 0.25 0.00 -2.51 0.00 0.00 175.55 174.13 1w49 s ALA 154 N -1.64 3.72 -0.17 9.51 0.00 -0.44 -4.99 121.76 127.75 1w49 s ALA 154 Ca 0.32 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 1w49 s ALA 154 Cb -0.11 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 1w49 s ALA 154 CO 0.26 0.36 -0.12 0.99 0.00 0.00 0.00 175.76 177.25 1w49 s THR 155 N -0.41 2.85 -0.25 0.00 2.01 -1.26 -0.14 115.64 118.45 1w49 s THR 155 Ca 0.17 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 1w49 s THR 155 Cb -0.13 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 1w49 s THR 155 CO 0.06 0.50 0.02 -0.69 -0.69 0.00 0.00 174.62 173.81 1w49 s VAL 156 N 0.97 3.74 -0.14 3.82 1.01 0.18 -4.98 120.40 124.99 1w49 s VAL 156 Ca -0.02 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1w49 s VAL 156 Cb -0.15 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1w49 s VAL 156 CO -0.02 0.30 0.04 -0.13 0.00 0.00 0.00 175.10 175.29 1w49 s ARG 157 N 1.51 3.60 -0.20 2.72 0.52 -1.26 -1.38 118.95 124.46 1w49 s ARG 157 Ca 0.05 -0.35 -0.15 0.00 -0.52 0.00 0.00 55.73 54.76 1w49 s ARG 157 Cb -0.15 -3.06 0.06 0.00 0.52 0.00 0.00 34.95 32.31 1w49 s ARG 157 CO -0.00 0.46 0.50 0.12 0.02 0.00 0.00 175.30 176.40 1w49 s PHE 158 N -0.17 -0.64 -1.36 -0.53 5.36 -1.01 -3.98 117.98 115.66 1w49 s PHE 158 Ca 0.07 1.45 -0.08 0.00 -0.96 0.00 0.00 56.93 57.40 1w49 s PHE 158 Cb -0.12 0.28 0.02 0.00 -0.34 0.00 0.00 43.02 42.85 1w49 s PHE 158 CO 0.01 -0.33 1.14 0.41 -1.46 0.00 0.00 175.22 175.00 1w49 n GLY 159 N 3.47 -0.52 3.27 13.12 0.00 -0.72 -4.34 105.19 119.46 1w49 n GLY 159 Ca -0.17 0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1w49 n GLY 159 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w49 s GLU 160 N -6.23 1.65 -0.38 1.61 0.41 -1.26 -4.79 118.70 109.71 1w49 s GLU 160 Ca 0.52 -0.92 -0.07 0.00 -0.41 0.00 0.00 54.97 54.10 1w49 s GLU 160 Cb -0.23 -1.70 -0.22 0.00 -1.78 0.00 0.00 34.13 30.19 1w49 s GLU 160 CO 0.74 0.45 3.38 -0.35 -0.49 0.00 0.00 175.26 178.99 1w49 n PRO 161 N 2.12 2.33 -4.55 0.39 -0.04 -1.26 -4.75 135.00 129.25 1w49 n PRO 161 Ca -0.16 -1.25 -0.26 0.00 -0.04 0.00 0.00 63.50 61.79 1w49 n PRO 161 Cb 0.53 -2.17 -0.11 0.00 -0.04 0.00 0.00 33.50 31.71 1w49 n PRO 161 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w49 s LEU 162 N 0.04 2.73 0.44 1.53 1.43 -1.26 -5.12 118.68 118.47 1w49 s LEU 162 Ca 0.66 -1.22 -0.24 0.00 -1.03 0.00 0.00 54.13 52.30 1w49 s LEU 162 Cb 0.28 -0.96 -0.08 0.00 0.03 0.00 0.00 46.19 45.46 1w49 s LEU 162 CO -0.01 -0.24 1.24 -0.94 0.23 0.00 0.00 176.35 176.63 1w49 s SER 163 N -3.61 6.15 0.00 2.29 1.04 -1.26 -3.20 113.70 115.11 1w49 s SER 163 Ca 0.33 2.50 0.00 0.00 0.48 0.00 0.00 55.95 59.26 1w49 s SER 163 Cb 0.03 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1w49 s SER 163 CO 0.16 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1w49 n GLY 164 N 0.60 0.58 3.70 7.32 0.00 -1.26 -4.99 105.19 111.14 1w49 n GLY 164 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1w49 n GLY 164 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w49 s TYR 165 N -2.66 3.55 0.29 1.61 2.02 -1.19 -5.03 117.35 115.93 1w49 s TYR 165 Ca 0.00 1.46 -0.28 0.00 -0.37 0.00 0.00 57.07 57.88 1w49 s TYR 165 Cb 0.00 -3.04 -0.09 0.00 -0.40 0.00 0.00 41.96 38.43 1w49 s TYR 165 CO 0.00 -0.09 1.00 1.21 -1.57 0.00 0.00 175.55 176.10 1w49 s ASN 166 N 1.01 7.38 0.00 2.29 2.47 -1.26 -4.86 114.94 121.98 1w49 s ASN 166 Ca 0.44 2.03 0.00 0.00 0.42 0.00 0.00 52.86 55.76 1w49 s ASN 166 Cb -0.19 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.01 1w49 s ASN 166 CO 0.20 -0.05 0.83 0.35 -3.72 0.00 0.00 177.10 174.71 1w49 n THR 167 N 1.05 0.69 -3.34 -5.21 -2.24 -1.26 -1.75 114.28 102.22 1w49 n THR 167 Ca -0.00 -0.73 -0.39 0.00 -2.27 0.00 0.00 64.05 60.65 1w49 n THR 167 Cb 0.47 0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 69.29 1w49 n THR 167 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1w49 s ASP 168 N -0.69 6.31 0.30 3.42 -1.08 -1.26 -4.86 116.67 118.81 1w49 s ASP 168 Ca 0.00 0.35 0.02 0.00 -0.52 0.00 0.00 52.55 52.40 1w49 s ASP 168 Cb 0.00 -2.23 0.56 0.00 -1.46 0.00 0.00 42.92 39.79 1w49 s ASP 168 CO 0.00 -0.22 1.89 0.15 0.52 0.00 0.00 175.17 177.51 1w49 h PHE 169 N 8.13 1.05 0.00 -5.34 3.57 -1.99 -1.76 116.94 120.60 1w49 h PHE 169 Ca -0.31 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.15 1w49 h PHE 169 Cb 1.15 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1w49 h PHE 169 CO 0.76 0.51 -0.32 -0.91 -2.23 0.00 0.00 178.31 176.11 1w49 h ASN 170 N 0.99 0.00 0.52 0.41 2.35 -1.96 -1.36 115.58 116.52 1w49 h ASN 170 Ca 0.42 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.96 1w49 h ASN 170 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1w49 h ASN 170 CO -0.18 0.32 -0.92 0.58 -1.65 0.00 0.00 177.43 175.58 1w49 h VAL 171 N 0.00 1.47 0.04 2.81 2.07 -1.81 -3.05 116.25 117.79 1w49 h VAL 171 Ca -0.00 -2.61 -0.00 0.00 0.82 0.00 0.00 66.70 64.90 1w49 h VAL 171 Cb 0.68 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1w49 h VAL 171 CO 0.04 0.77 -0.02 0.15 0.02 0.00 0.00 177.57 178.53 1w49 h PHE 172 N 0.14 -0.05 0.00 1.57 3.57 -0.57 -1.10 116.94 120.50 1w49 h PHE 172 Ca -0.06 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 1w49 h PHE 172 Cb 1.56 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1w49 h PHE 172 CO 0.04 -0.02 -0.24 -0.39 -2.23 0.00 0.00 178.31 175.47 1w49 h VAL 173 N -0.07 1.15 -0.35 1.41 -1.51 -1.32 -0.87 116.25 114.69 1w49 h VAL 173 Ca -0.01 -0.81 -0.07 0.00 -1.23 0.00 0.00 66.70 64.58 1w49 h VAL 173 Cb 0.06 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 1w49 h VAL 173 CO 0.01 0.23 -0.05 -0.78 -1.23 0.00 0.00 177.57 175.75 1w49 h ASP 174 N 0.00 0.65 -0.74 4.19 1.82 -1.36 -0.76 116.42 120.21 1w49 h ASP 174 Ca -0.00 -0.34 -0.04 0.00 -0.39 0.00 0.00 57.03 56.25 1w49 h ASP 174 Cb 0.42 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 1w49 h ASP 174 CO 0.03 0.84 0.30 0.44 -1.61 0.00 0.00 179.24 179.23 1w49 h ASP 175 N 0.45 1.03 -0.35 2.28 3.32 -0.47 -1.88 116.42 120.80 1w49 h ASP 175 Ca 0.09 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 1w49 h ASP 175 Cb 0.53 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1w49 h ASP 175 CO 0.03 0.92 -0.13 0.40 -1.72 0.00 0.00 179.24 178.73 1w49 h ILE 176 N 1.07 1.28 -0.44 0.35 2.04 -1.05 -1.13 117.51 119.64 1w49 h ILE 176 Ca 0.25 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 1w49 h ILE 176 Cb 0.22 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1w49 h ILE 176 CO -0.02 0.40 0.27 0.00 0.00 0.00 0.00 178.15 178.80 1w49 h ALA 177 N 0.80 0.56 -0.53 1.87 0.00 -0.98 -0.85 119.26 120.13 1w49 h ALA 177 Ca 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1w49 h ALA 177 Cb 0.66 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1w49 h ALA 177 CO 0.04 0.04 0.20 -0.09 0.00 0.00 0.00 179.25 179.45 1w49 h ARG 178 N 0.58 0.76 -0.23 0.00 2.43 -1.27 -1.43 114.38 115.23 1w49 h ARG 178 Ca 0.16 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1w49 h ARG 178 Cb -0.01 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1w49 h ARG 178 CO -0.03 0.63 -0.09 0.00 -1.51 0.00 0.00 179.97 178.98 1w49 h ALA 179 N 1.47 0.32 0.00 2.80 0.00 -0.49 -2.24 119.26 121.12 1w49 h ALA 179 Ca 0.18 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1w49 h ALA 179 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1w49 h ALA 179 CO -0.02 0.14 -0.43 0.52 0.00 0.00 0.00 179.25 179.46 1w49 h MET 180 N 0.18 0.00 0.00 0.00 2.86 -0.95 0.11 114.93 117.12 1w49 h MET 180 Ca 0.05 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1w49 h MET 180 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1w49 h MET 180 CO 0.03 0.43 -0.24 -0.07 1.06 0.00 0.00 176.91 178.12 1w49 h LEU 181 N 0.00 0.00 -0.18 1.22 3.38 -1.16 -3.38 115.31 115.20 1w49 h LEU 181 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1w49 h LEU 181 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1w49 h LEU 181 CO 0.06 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.82 1w49 n GLN 182 N -3.26 4.93 -3.90 1.13 6.02 -0.85 -5.01 117.38 116.43 1w49 n GLN 182 Ca 0.01 -0.09 -0.11 0.00 -0.01 0.00 0.00 57.00 56.81 1w49 n GLN 182 Cb 0.52 -0.55 -0.12 0.00 1.02 0.00 0.00 30.24 31.11 1w49 n GLN 182 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1w49 s HIS 183 N -0.73 0.08 0.14 1.08 3.76 0.33 -5.05 115.29 114.89 1w49 s HIS 183 Ca 0.00 -0.15 -0.00 0.00 -0.15 0.00 0.00 55.06 54.75 1w49 s HIS 183 Cb 0.00 -0.07 -0.08 0.00 1.11 0.00 0.00 32.58 33.54 1w49 s HIS 183 CO 0.00 -0.11 1.32 -0.09 -0.85 0.00 0.00 174.74 175.00 1w49 h ARG 184 N 5.34 0.26 -5.04 1.40 2.43 -1.91 -3.42 114.38 113.45 1w49 h ARG 184 Ca -0.28 -0.31 -0.66 0.00 -0.81 0.00 0.00 59.98 57.92 1w49 h ARG 184 Cb 1.21 0.10 -0.31 0.00 -0.42 0.00 0.00 29.97 30.54 1w49 h ARG 184 CO 0.45 1.04 -0.79 0.08 -1.51 0.00 0.00 179.97 179.24 1w49 s VAL 185 N -3.12 2.72 -0.05 0.20 1.01 -1.26 0.11 120.40 120.01 1w49 s VAL 185 Ca -0.04 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1w49 s VAL 185 Cb 0.09 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1w49 s VAL 185 CO 0.85 0.48 -0.14 -0.63 0.00 0.00 0.00 175.10 175.66 1w49 s ILE 186 N 1.34 1.20 -0.13 2.22 1.01 0.92 -1.33 121.20 126.43 1w49 s ILE 186 Ca 0.05 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 1w49 s ILE 186 Cb -0.14 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 1w49 s ILE 186 CO -0.07 0.36 -0.08 -0.69 0.00 0.00 0.00 174.94 174.46 1w49 s VAL 187 N 0.33 3.53 -0.25 2.92 1.01 0.81 0.72 120.40 129.47 1w49 s VAL 187 Ca -0.08 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1w49 s VAL 187 Cb -0.13 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.79 1w49 s VAL 187 CO 0.03 0.52 -0.10 -0.63 0.00 0.00 0.00 175.10 174.92 1w49 s ILE 188 N 0.17 2.45 -0.41 2.22 1.01 0.74 -0.65 121.20 126.73 1w49 s ILE 188 Ca -0.04 -1.30 -0.16 0.00 0.00 0.00 0.00 60.65 59.15 1w49 s ILE 188 Cb -0.14 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.04 1w49 s ILE 188 CO 0.04 0.14 0.34 -0.62 0.00 0.00 0.00 174.94 174.84 1w49 s ASP 189 N 1.22 6.14 0.00 3.58 -1.08 -0.48 -2.78 116.67 123.27 1w49 s ASP 189 Ca -0.03 -0.80 0.00 0.00 -0.52 0.00 0.00 52.55 51.19 1w49 s ASP 189 Cb -0.18 -2.18 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1w49 s ASP 189 CO -0.06 -0.48 0.00 -0.24 0.52 0.00 0.00 175.17 174.91 1w49 n SER 190 N 5.30 -1.03 -0.12 -0.34 2.88 -1.26 -2.40 113.62 116.66 1w49 n SER 190 Ca -0.10 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.56 1w49 n SER 190 Cb 0.47 -0.51 0.26 0.00 -0.75 0.00 0.00 64.21 63.68 1w49 n SER 190 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1w49 n LEU 191 N 0.00 0.80 -0.32 2.46 7.94 -0.97 -4.42 117.00 122.48 1w49 n LEU 191 Ca 0.00 -0.17 0.18 0.00 -1.11 0.00 0.00 56.01 54.91 1w49 n LEU 191 Cb 0.00 -0.17 0.38 0.00 0.53 0.00 0.00 43.42 44.15 1w49 n LEU 191 CO 0.00 0.17 1.08 0.11 -1.11 0.00 0.00 177.39 177.64 1w49 h LYS 192 N 0.57 0.37 0.00 1.96 1.57 -1.91 -0.39 116.57 118.74 1w49 h LYS 192 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1w49 h LYS 192 Cb 0.51 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1w49 h LYS 192 CO 0.00 0.25 0.00 -0.91 -0.57 0.00 0.00 179.45 178.22 1w49 h ASN 193 N 0.38 0.00 1.07 0.86 4.21 -1.87 -2.75 115.58 117.48 1w49 h ASN 193 Ca 0.63 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.99 1w49 h ASN 193 Cb 1.30 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.48 1w49 h ASN 193 CO -0.56 0.00 -0.74 -0.37 -1.29 0.00 0.00 177.43 174.47 1w49 h VAL 194 N 0.00 1.35 -2.36 2.81 -1.51 -1.38 -3.50 116.25 111.66 1w49 h VAL 194 Ca 0.00 -2.70 -0.64 0.00 -1.23 0.00 0.00 66.70 62.13 1w49 h VAL 194 Cb 0.85 2.53 -0.15 0.00 -2.13 0.00 0.00 31.29 32.39 1w49 h VAL 194 CO 0.00 0.73 0.80 -0.63 -1.23 0.00 0.00 177.57 177.23 1w49 s ILE 195 N -3.00 4.38 -0.30 7.19 -1.09 -0.97 -4.81 121.20 122.60 1w49 s ILE 195 Ca 0.01 -0.79 -0.19 0.00 -2.23 0.00 0.00 60.65 57.46 1w49 s ILE 195 Cb 0.10 -4.78 0.18 0.00 -1.58 0.00 0.00 42.46 36.38 1w49 s ILE 195 CO 0.78 -1.56 1.22 -0.63 -1.23 0.00 0.00 174.94 173.51 1w49 s ILE 207 N 3.80 0.00 0.97 2.92 1.01 -1.26 -5.10 121.20 123.55 1w49 s ILE 207 Ca 0.30 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.83 1w49 s ILE 207 Cb -0.10 -1.00 0.17 0.00 0.01 0.00 0.00 42.46 41.54 1w49 s ILE 207 CO 0.01 0.00 1.09 -0.94 0.00 0.00 0.00 174.94 175.10 1w49 s SER 208 N 0.81 2.72 0.12 3.58 1.04 -1.26 -4.85 113.70 115.86 1w49 s SER 208 Ca -0.04 1.65 -0.15 0.00 0.48 0.00 0.00 55.95 57.89 1w49 s SER 208 Cb -0.03 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 1w49 s SER 208 CO -0.12 -3.14 1.59 -0.09 0.98 0.00 0.00 173.24 172.46 1w49 h ARG 209 N -1.89 0.65 -0.49 4.02 2.43 -1.87 -1.90 114.38 115.33 1w49 h ARG 209 Ca -0.51 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.47 1w49 h ARG 209 Cb 1.29 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1w49 h ARG 209 CO 0.51 0.72 0.28 0.78 -1.51 0.00 0.00 179.97 180.75 1w49 h GLY 210 N 0.48 0.70 1.37 2.80 0.00 -1.40 0.18 103.07 107.19 1w49 h GLY 210 Ca 0.11 -0.29 -0.18 0.00 0.00 0.00 0.00 47.33 46.98 1w49 h GLY 210 CO 0.01 0.28 -0.60 0.00 0.00 0.00 0.00 176.54 176.23 1w49 h ALA 211 N 1.64 0.58 -0.27 3.60 0.00 -1.75 -1.38 119.26 121.67 1w49 h ALA 211 Ca 0.17 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1w49 h ALA 211 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1w49 h ALA 211 CO -0.03 0.70 -0.16 0.35 0.00 0.00 0.00 179.25 180.11 1w49 h PHE 212 N 0.49 0.69 -0.69 0.00 3.57 -0.73 -2.47 116.94 117.80 1w49 h PHE 212 Ca -0.00 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.34 1w49 h PHE 212 Cb 1.18 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1w49 h PHE 212 CO 0.06 0.85 0.44 -0.44 -2.23 0.00 0.00 178.31 176.99 1w49 h ASP 213 N 0.33 0.75 -0.08 0.41 3.32 -0.57 -2.59 116.42 117.99 1w49 h ASP 213 Ca 0.06 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1w49 h ASP 213 Cb 0.68 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1w49 h ASP 213 CO 0.05 0.53 -0.02 0.25 -1.72 0.00 0.00 179.24 178.33 1w49 h LEU 214 N 0.89 -0.07 -0.99 1.55 5.85 -1.11 0.98 115.31 122.41 1w49 h LEU 214 Ca 0.26 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.05 1w49 h LEU 214 Cb -0.05 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1w49 h LEU 214 CO -0.08 -0.02 0.65 -0.07 -0.34 0.00 0.00 178.44 178.58 1w49 h LEU 215 N 0.00 1.06 0.00 2.25 -0.00 -1.34 -0.93 115.31 116.36 1w49 h LEU 215 Ca 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1w49 h LEU 215 Cb 0.06 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.48 1w49 h LEU 215 CO -0.08 0.71 -0.27 0.77 -0.00 0.00 0.00 178.44 179.57 1w49 h SER 216 N 1.22 0.00 0.00 -0.43 4.64 -1.11 -3.39 113.55 114.48 1w49 h SER 216 Ca 0.41 -0.05 -0.36 0.00 -0.47 0.00 0.00 61.79 61.32 1w49 h SER 216 Cb 0.06 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.09 1w49 h SER 216 CO -0.14 0.03 -2.35 0.47 -0.87 0.00 0.00 176.83 173.96 1w49 n ASP 217 N -2.49 1.98 -0.28 4.97 8.00 0.31 -4.72 116.55 124.32 1w49 n ASP 217 Ca 0.04 -0.12 0.08 0.00 0.71 0.00 0.00 54.79 55.51 1w49 n ASP 217 Cb 0.47 -0.25 0.24 0.00 -0.02 0.00 0.00 41.12 41.55 1w49 n ASP 217 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1w49 h ILE 218 N 0.00 0.61 -0.60 0.53 2.10 -1.38 -1.75 117.51 117.03 1w49 h ILE 218 Ca -0.53 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.25 1w49 h ILE 218 Cb 1.86 0.09 -0.03 0.00 -1.09 0.00 0.00 36.82 37.65 1w49 h ILE 218 CO -0.07 0.09 0.38 1.23 -1.08 0.00 0.00 178.15 178.69 1w49 h GLY 219 N 0.47 0.85 1.43 8.18 0.00 -1.82 -1.30 103.07 110.89 1w49 h GLY 219 Ca 0.48 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 47.31 1w49 h GLY 219 CO -0.44 0.33 -0.55 0.00 0.00 0.00 0.00 176.54 175.88 1w49 h ALA 220 N 1.20 0.67 0.15 3.60 0.00 -1.66 -1.74 119.26 121.48 1w49 h ALA 220 Ca 0.22 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1w49 h ALA 220 Cb -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1w49 h ALA 220 CO -0.04 0.69 -0.07 0.52 0.00 0.00 0.00 179.25 180.34 1w49 h MET 221 N 0.46 -0.20 -0.29 0.00 2.07 -1.09 0.14 114.93 116.02 1w49 h MET 221 Ca 0.01 0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.64 1w49 h MET 221 Cb 1.10 0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.86 1w49 h MET 221 CO 0.11 -0.11 0.15 0.00 1.07 0.00 0.00 176.91 178.12 1w49 h ALA 222 N 0.62 0.37 -0.55 6.32 0.00 -1.22 -1.12 119.26 123.69 1w49 h ALA 222 Ca -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1w49 h ALA 222 Cb 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1w49 h ALA 222 CO 0.03 -0.08 0.16 0.00 0.00 0.00 0.00 179.25 179.36 1w49 h ALA 223 N 1.01 1.24 -0.46 0.00 0.00 -1.27 0.41 119.26 120.19 1w49 h ALA 223 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1w49 h ALA 223 Cb 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1w49 h ALA 223 CO -0.01 0.53 0.04 0.77 0.00 0.00 0.00 179.25 180.58 1w49 h SER 224 N 0.81 0.70 0.96 0.00 0.02 -0.53 -2.89 113.55 112.62 1w49 h SER 224 Ca 0.18 -0.15 -0.20 0.00 -0.84 0.00 0.00 61.79 60.79 1w49 h SER 224 Cb 0.26 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1w49 h SER 224 CO -0.01 0.74 -0.95 -0.09 -1.14 0.00 0.00 176.83 175.38 1w49 h ARG 225 N 0.70 0.00 0.00 3.45 9.65 -0.19 -3.44 114.38 124.56 1w49 h ARG 225 Ca 0.14 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1w49 h ARG 225 Cb 0.38 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1w49 h ARG 225 CO 0.01 0.95 0.00 0.41 2.80 0.00 0.00 179.97 184.15 1w49 n GLY 226 N 1.23 0.80 3.91 2.80 0.00 0.13 -3.93 105.19 110.14 1w49 n GLY 226 Ca -0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 1w49 n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w49 s VAL 228 N -2.21 2.10 -0.33 0.00 0.11 0.12 -0.93 120.40 119.26 1w49 s VAL 228 Ca 0.41 -1.04 -0.04 0.00 -2.93 0.00 0.00 61.98 58.38 1w49 s VAL 228 Cb -0.08 -1.77 0.05 0.00 -1.53 0.00 0.00 36.38 33.06 1w49 s VAL 228 CO 0.28 0.57 0.06 -0.69 -3.33 0.00 0.00 175.10 171.99 1w49 s VAL 229 N -0.04 3.34 -0.45 2.04 1.01 -0.16 -0.05 120.40 126.08 1w49 s VAL 229 Ca -0.07 -1.35 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 1w49 s VAL 229 Cb -0.15 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.32 1w49 s VAL 229 CO 0.05 -0.20 0.49 -0.63 0.00 0.00 0.00 175.10 174.82 1w49 s ILE 230 N 1.30 5.03 -0.12 2.22 1.01 0.22 -0.44 121.20 130.42 1w49 s ILE 230 Ca -0.02 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1w49 s ILE 230 Cb -0.20 -4.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.15 1w49 s ILE 230 CO 0.00 -0.54 -0.20 0.00 0.00 0.00 0.00 174.94 174.20 1w49 s ALA 231 N 2.25 2.33 0.16 9.38 0.00 0.52 -0.19 121.76 136.21 1w49 s ALA 231 Ca 0.13 -1.00 -0.27 0.00 0.00 0.00 0.00 51.96 50.82 1w49 s ALA 231 Cb -0.18 -1.00 -0.07 0.00 0.00 0.00 0.00 23.12 21.87 1w49 s ALA 231 CO 0.13 0.16 0.85 -1.54 0.00 0.00 0.00 175.76 175.35 1w49 s SER 232 N 0.53 7.45 -0.23 0.00 1.04 -1.12 -0.26 113.70 121.12 1w49 s SER 232 Ca -0.12 1.72 -0.04 0.00 0.48 0.00 0.00 55.95 57.98 1w49 s SER 232 Cb -0.17 -2.54 0.09 0.00 0.10 0.00 0.00 66.02 63.50 1w49 s SER 232 CO 0.04 0.12 0.15 -0.22 0.98 0.00 0.00 173.24 174.31 1w49 s LEU 233 N -0.80 0.27 -0.09 2.42 2.96 0.82 -2.30 118.68 121.96 1w49 s LEU 233 Ca 0.39 -0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 53.23 1w49 s LEU 233 Cb -0.23 -0.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.34 1w49 s LEU 233 CO 0.28 -0.38 0.97 0.20 -1.32 0.00 0.00 176.35 176.10 1w49 s ASN 234 N 2.18 7.23 0.04 3.68 -0.87 -1.26 -4.32 114.94 121.61 1w49 s ASN 234 Ca 0.06 1.51 -0.10 0.00 -1.57 0.00 0.00 52.86 52.76 1w49 s ASN 234 Cb -0.16 -2.54 -0.32 0.00 -0.02 0.00 0.00 41.25 38.21 1w49 s ASN 234 CO -0.21 -0.39 1.00 -0.65 -2.57 0.00 0.00 177.10 174.28 1w49 h PRO 235 N 7.05 0.40 -3.12 -0.60 0.11 -1.97 -3.46 132.00 130.41 1w49 h PRO 235 Ca -0.33 -0.69 -0.24 0.00 0.11 0.00 0.00 66.00 64.84 1w49 h PRO 235 Cb 1.16 0.26 -0.07 0.00 0.11 0.00 0.00 31.00 32.46 1w49 h PRO 235 CO 0.83 1.32 1.23 0.25 -0.21 0.00 0.00 178.00 181.42 1w49 n THR 236 N -3.61 0.00 0.00 -1.15 -2.24 -1.26 -4.65 114.28 101.37 1w49 n THR 236 Ca -0.15 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1w49 n THR 236 Cb 1.07 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1w49 n THR 236 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1w49 n SER 237 N 4.15 0.00 -3.26 3.42 2.88 -1.26 -5.05 113.62 114.50 1w49 n SER 237 Ca 0.42 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.86 1w49 n SER 237 Cb 0.07 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 1w49 n SER 237 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1w49 n ASN 238 N 0.00 0.15 -3.52 -3.46 3.02 -1.26 -4.50 115.26 105.69 1w49 n ASN 238 Ca 0.00 -1.76 -0.29 0.00 -0.03 0.00 0.00 54.58 52.50 1w49 n ASN 238 Cb 0.00 -0.38 -0.12 0.00 -0.61 0.00 0.00 39.78 38.67 1w49 n ASN 238 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1w49 s ASP 239 N 4.64 2.88 0.00 6.41 3.68 -1.26 -5.01 116.67 128.00 1w49 s ASP 239 Ca 0.15 -2.53 0.00 0.00 2.13 0.00 0.00 52.55 52.30 1w49 s ASP 239 Cb 0.03 -0.60 0.00 0.00 -1.45 0.00 0.00 42.92 40.90 1w49 s ASP 239 CO 0.08 -0.26 0.52 -0.90 0.13 0.00 0.00 175.17 174.74 1w49 n ASP 240 N 3.60 0.00 -0.06 -0.34 5.75 -1.26 -0.11 116.55 124.13 1w49 n ASP 240 Ca 0.15 0.04 -0.16 0.00 -0.01 0.00 0.00 54.79 54.81 1w49 n ASP 240 Cb 0.39 -0.04 -0.13 0.00 -1.03 0.00 0.00 41.12 40.31 1w49 n ASP 240 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1w49 h LYS 241 N 0.00 0.03 0.12 0.11 3.11 -1.94 -3.17 116.57 114.83 1w49 h LYS 241 Ca 0.00 -0.05 -0.30 0.00 -2.81 0.00 0.00 60.65 57.49 1w49 h LYS 241 Cb 0.89 0.02 0.03 0.00 -1.00 0.00 0.00 32.23 32.16 1w49 h LYS 241 CO 0.00 1.02 -1.25 0.97 -2.81 0.00 0.00 179.45 177.38 1w49 h ILE 242 N -0.94 1.30 -0.66 2.00 2.10 -0.85 -3.22 117.51 117.24 1w49 h ILE 242 Ca -0.07 -2.51 -0.02 0.00 1.08 0.00 0.00 64.86 63.35 1w49 h ILE 242 Cb 1.11 2.71 -0.03 0.00 -1.09 0.00 0.00 36.82 39.52 1w49 h ILE 242 CO -0.02 0.76 0.33 1.62 -1.08 0.00 0.00 178.15 179.76 1w49 h VAL 243 N 0.26 1.21 -0.07 2.19 3.04 -1.53 -0.43 116.25 120.93 1w49 h VAL 243 Ca -0.19 -0.59 -0.09 0.00 -1.01 0.00 0.00 66.70 64.83 1w49 h VAL 243 Cb 1.92 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 1w49 h VAL 243 CO 0.24 0.25 -0.39 -0.33 -1.01 0.00 0.00 177.57 176.33 1w49 h GLU 244 N 0.94 0.15 -0.21 4.17 4.39 -1.64 -0.90 114.58 121.49 1w49 h GLU 244 Ca 0.23 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.77 1w49 h GLU 244 Cb 0.08 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1w49 h GLU 244 CO -0.03 0.52 -0.30 1.25 -1.16 0.00 0.00 179.01 179.28 1w49 h LEU 245 N 0.13 0.42 -0.31 1.33 5.85 -1.17 -0.15 115.31 121.41 1w49 h LEU 245 Ca 0.01 -0.15 -0.17 0.00 0.84 0.00 0.00 57.88 58.41 1w49 h LEU 245 Cb 0.75 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1w49 h LEU 245 CO 0.06 0.71 -0.48 0.58 -0.34 0.00 0.00 178.44 178.96 1w49 h VAL 246 N 0.36 1.28 -0.18 1.05 2.07 -0.44 -1.03 116.25 119.36 1w49 h VAL 246 Ca 0.05 -1.66 -0.14 0.00 0.82 0.00 0.00 66.70 65.77 1w49 h VAL 246 Cb 0.72 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1w49 h VAL 246 CO 0.05 0.54 -0.47 0.11 0.02 0.00 0.00 177.57 177.83 1w49 h LYS 247 N 0.65 0.46 -0.20 1.57 1.57 -0.93 -1.77 116.57 117.93 1w49 h LYS 247 Ca 0.03 -0.26 -0.21 0.00 -1.87 0.00 0.00 60.65 58.34 1w49 h LYS 247 Cb 1.09 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.42 1w49 h LYS 247 CO 0.11 0.84 -0.69 1.49 -0.57 0.00 0.00 179.45 180.63 1w49 h GLU 248 N 0.37 0.82 -0.43 3.15 4.57 -0.98 0.93 114.58 123.01 1w49 h GLU 248 Ca 0.02 -0.62 -0.06 0.00 -1.18 0.00 0.00 59.36 57.52 1w49 h GLU 248 Cb 0.97 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1w49 h GLU 248 CO 0.09 1.23 0.01 0.00 -1.18 0.00 0.00 179.01 179.16 1w49 h ALA 249 N 0.59 1.22 -0.05 2.92 0.00 -1.11 0.34 119.26 123.18 1w49 h ALA 249 Ca -0.03 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 1w49 h ALA 249 Cb 1.32 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1w49 h ALA 249 CO 0.15 0.52 -0.81 0.77 0.00 0.00 0.00 179.25 179.87 1w49 h SER 250 N 0.65 0.49 0.17 0.00 0.02 -1.14 -2.39 113.55 111.35 1w49 h SER 250 Ca 0.13 -0.35 -0.25 0.00 -0.84 0.00 0.00 61.79 60.49 1w49 h SER 250 Cb 0.39 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 62.80 1w49 h SER 250 CO 0.01 1.12 -1.11 -0.09 -1.14 0.00 0.00 176.83 175.62 1w49 h ARG 251 N 0.25 0.36 0.00 3.45 2.43 -0.46 -3.39 114.38 117.02 1w49 h ARG 251 Ca -0.05 -0.61 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 1w49 h ARG 251 Cb 1.42 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 1w49 h ARG 251 CO 0.14 1.29 -1.12 0.43 -1.51 0.00 0.00 179.97 179.20 1w49 n SER 252 N -3.97 2.48 -0.54 -3.80 7.64 0.12 -4.66 113.62 110.89 1w49 n SER 252 Ca -0.17 -0.17 0.06 0.00 1.01 0.00 0.00 58.87 59.61 1w49 n SER 252 Cb 0.92 1.28 0.08 0.00 -1.01 0.00 0.00 64.21 65.47 1w49 n SER 252 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1w49 n ASN 253 N -1.63 2.25 -4.65 6.43 4.13 -0.93 -4.96 115.26 115.90 1w49 n ASN 253 Ca -0.01 -1.62 -0.35 0.00 1.68 0.00 0.00 54.58 54.28 1w49 n ASN 253 Cb 0.19 -0.06 -0.10 0.00 -1.54 0.00 0.00 39.78 38.27 1w49 n ASN 253 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1w49 s SER 254 N -1.02 5.25 0.05 6.41 0.01 -1.04 -4.38 113.70 118.98 1w49 s SER 254 Ca 0.17 0.10 -0.12 0.00 1.31 0.00 0.00 55.95 57.40 1w49 s SER 254 Cb 0.11 -1.61 -0.30 0.00 0.21 0.00 0.00 66.02 64.43 1w49 s SER 254 CO 0.16 0.32 1.08 0.74 0.41 0.00 0.00 173.24 175.95 1w49 h THR 255 N 4.42 1.33 -3.80 1.44 2.02 -0.30 -3.47 112.91 114.56 1w49 h THR 255 Ca -0.46 -2.69 -0.24 0.00 0.77 0.00 0.00 66.41 63.79 1w49 h THR 255 Cb 1.19 2.88 -0.15 0.00 -1.74 0.00 0.00 68.15 70.33 1w49 h THR 255 CO 0.58 0.80 -0.69 -0.44 0.37 0.00 0.00 175.52 176.15 1w49 s SER 256 N -7.42 1.16 -0.03 4.18 0.01 -0.40 -1.72 113.70 109.48 1w49 s SER 256 Ca -0.08 -1.05 0.02 0.00 1.31 0.00 0.00 55.95 56.15 1w49 s SER 256 Cb 0.05 0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.40 1w49 s SER 256 CO 0.93 -0.49 -0.08 -0.22 0.41 0.00 0.00 173.24 173.79 1w49 s LEU 257 N -3.08 1.64 -0.23 2.44 2.96 0.13 -2.16 118.68 120.38 1w49 s LEU 257 Ca 0.15 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1w49 s LEU 257 Cb 0.05 -0.53 0.06 0.00 0.50 0.00 0.00 46.19 46.27 1w49 s LEU 257 CO -0.02 0.02 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.28 1w49 s VAL 258 N 0.45 1.58 0.02 1.68 1.01 -0.25 -0.06 120.40 124.84 1w49 s VAL 258 Ca -0.07 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 60.77 1w49 s VAL 258 Cb -0.11 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1w49 s VAL 258 CO 0.01 -0.05 -0.19 -0.51 0.00 0.00 0.00 175.10 174.36 1w49 s ILE 259 N 1.38 1.48 0.81 2.22 2.07 -0.11 -1.35 121.20 127.70 1w49 s ILE 259 Ca -0.05 -1.02 -0.11 0.00 -1.41 0.00 0.00 60.65 58.06 1w49 s ILE 259 Cb -0.18 -1.28 0.08 0.00 0.13 0.00 0.00 42.46 41.20 1w49 s ILE 259 CO -0.06 0.23 1.09 -0.94 -1.91 0.00 0.00 174.94 173.34 1w49 s SER 260 N -0.93 4.28 0.04 4.50 1.04 -0.87 -0.40 113.70 121.36 1w49 s SER 260 Ca 0.06 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.12 1w49 s SER 260 Cb -0.08 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1w49 s SER 260 CO 0.01 -2.15 0.00 0.35 0.98 0.00 0.00 173.24 172.43 1w49 n THR 261 N -3.58 0.00 0.20 2.02 -2.24 -0.91 -4.80 114.28 104.98 1w49 n THR 261 Ca 0.08 -0.16 0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1w49 n THR 261 Cb 0.54 0.01 0.44 0.00 -2.10 0.00 0.00 70.33 69.22 1w49 n THR 261 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1w49 h ASP 262 N 0.08 0.00 -3.51 3.42 3.45 -1.95 -3.42 116.42 114.49 1w49 h ASP 262 Ca -0.03 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.83 1w49 h ASP 262 Cb 0.09 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 38.74 1w49 h ASP 262 CO 0.05 0.29 -0.19 -0.69 -1.57 0.00 0.00 179.24 177.13 1w49 s VAL 263 N -4.33 5.19 0.17 -1.35 1.01 -1.26 -5.03 120.40 114.80 1w49 s VAL 263 Ca -0.03 0.71 -0.34 0.00 0.00 0.00 0.00 61.98 62.32 1w49 s VAL 263 Cb 0.15 -3.73 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 1w49 s VAL 263 CO 0.70 0.23 1.51 0.47 0.00 0.00 0.00 175.10 178.01 1w49 n ASP 264 N 4.63 2.86 0.00 3.32 10.43 -1.26 -1.62 116.55 134.91 1w49 n ASP 264 Ca -0.08 1.10 0.00 0.00 2.57 0.00 0.00 54.79 58.38 1w49 n ASP 264 Cb 0.51 -1.40 0.00 0.00 1.84 0.00 0.00 41.12 42.07 1w49 n ASP 264 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1w49 n GLY 265 N 3.02 1.76 3.73 0.44 0.00 -1.26 -4.96 105.19 107.92 1w49 n GLY 265 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1w49 n GLY 265 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1w49 s GLU 266 N -0.38 3.73 0.19 1.61 2.12 -0.64 -1.99 118.70 123.34 1w49 s GLU 266 Ca 0.00 -0.27 0.07 0.00 0.36 0.00 0.00 54.97 55.13 1w49 s GLU 266 Cb 0.00 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 1w49 s GLU 266 CO 0.00 0.48 -0.14 -1.58 -0.54 0.00 0.00 175.26 173.48 1w49 s TRP 267 N -0.20 1.66 -0.11 5.30 0.52 -0.26 -2.13 118.94 123.72 1w49 s TRP 267 Ca 0.09 -0.58 0.03 0.00 0.02 0.00 0.00 56.10 55.66 1w49 s TRP 267 Cb -0.12 -0.79 -0.00 0.00 -1.15 0.00 0.00 33.47 31.41 1w49 s TRP 267 CO 0.01 0.31 -0.22 -0.65 0.02 0.00 0.00 176.95 176.42 1w49 s GLN 268 N -3.48 3.11 -0.22 4.98 -0.21 0.47 -0.69 119.66 123.61 1w49 s GLN 268 Ca 0.20 -0.84 -0.05 0.00 0.02 0.00 0.00 55.36 54.69 1w49 s GLN 268 Cb -0.01 -2.36 -0.02 0.00 1.00 0.00 0.00 33.01 31.62 1w49 s GLN 268 CO 0.06 0.19 -0.00 0.08 -2.12 0.00 0.00 175.29 173.50 1w49 s VAL 269 N 0.34 3.77 -0.22 1.09 1.01 -0.14 -0.93 120.40 125.31 1w49 s VAL 269 Ca -0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1w49 s VAL 269 Cb -0.18 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1w49 s VAL 269 CO 0.08 0.40 -0.10 -0.76 0.00 0.00 0.00 175.10 174.72 1w49 s LEU 270 N 1.40 2.81 -0.16 3.92 1.02 0.92 -2.11 118.68 126.49 1w49 s LEU 270 Ca 0.05 -0.74 0.01 0.00 0.02 0.00 0.00 54.13 53.47 1w49 s LEU 270 Cb -0.15 -1.61 0.01 0.00 0.02 0.00 0.00 46.19 44.46 1w49 s LEU 270 CO -0.00 -0.07 -0.18 -0.89 0.02 0.00 0.00 176.35 175.23 1w49 s THR 271 N 1.33 2.33 -0.20 5.49 2.01 0.41 0.17 115.64 127.17 1w49 s THR 271 Ca 0.02 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 1w49 s THR 271 Cb -0.15 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.40 1w49 s THR 271 CO -0.07 0.53 1.09 -0.13 -0.69 0.00 0.00 174.62 175.35 1w49 s ARG 272 N 0.94 4.27 0.00 4.92 0.52 -0.70 -1.06 118.95 127.84 1w49 s ARG 272 Ca -0.03 1.43 0.27 0.00 -0.52 0.00 0.00 55.73 56.88 1w49 s ARG 272 Cb -0.15 -3.66 0.90 0.00 0.52 0.00 0.00 34.95 32.57 1w49 s ARG 272 CO -0.04 -0.62 1.66 0.25 0.02 0.00 0.00 175.30 176.57 1w49 n THR 273 N 5.26 0.00 0.00 0.02 -2.24 -1.24 -4.82 114.28 111.26 1w49 n THR 273 Ca 0.12 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1w49 n THR 273 Cb 0.46 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1w49 n THR 273 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w49 n GLY 274 N 1.24 1.43 3.60 3.38 0.00 -1.26 -4.16 105.19 109.42 1w49 n GLY 274 Ca 0.16 -1.46 -0.46 0.00 0.00 0.00 0.00 46.02 44.27 1w49 n GLY 274 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1w49 n GLU 275 N -1.42 1.98 -0.80 1.61 2.13 -0.11 -1.62 120.64 122.41 1w49 n GLU 275 Ca 0.00 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1w49 n GLU 275 Cb 0.00 -2.90 0.00 0.00 0.27 0.00 0.00 31.44 28.81 1w49 n GLU 275 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1w49 n GLY 276 N 5.41 0.59 3.92 8.31 0.00 -1.26 -4.99 105.19 117.16 1w49 n GLY 276 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 1w49 n GLY 276 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w49 s LEU 277 N 0.00 2.91 0.54 0.99 1.43 -0.64 -5.05 118.68 118.86 1w49 s LEU 277 Ca 0.00 0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 53.57 1w49 s LEU 277 Cb 0.00 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 42.82 1w49 s LEU 277 CO 0.00 -1.45 1.03 -1.10 0.23 0.00 0.00 176.35 175.06 1w49 s GLN 278 N -5.22 3.64 -0.01 1.70 -0.21 -1.26 -4.73 119.66 113.58 1w49 s GLN 278 Ca 0.58 1.16 -0.21 0.00 0.02 0.00 0.00 55.36 56.91 1w49 s GLN 278 Cb -0.11 -2.08 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 1w49 s GLN 278 CO 0.46 -0.54 0.60 1.03 -2.12 0.00 0.00 175.29 174.72 1w49 s ARG 279 N -3.86 4.33 0.15 2.91 0.52 -1.26 -3.60 118.95 118.13 1w49 s ARG 279 Ca 0.63 0.75 0.03 0.00 -0.52 0.00 0.00 55.73 56.61 1w49 s ARG 279 Cb -0.14 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 1w49 s ARG 279 CO 0.31 0.35 0.26 -0.51 0.02 0.00 0.00 175.30 175.73 1w49 s LEU 280 N -0.15 4.24 0.01 2.53 1.43 -0.22 -0.90 118.68 125.62 1w49 s LEU 280 Ca 0.31 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.52 1w49 s LEU 280 Cb -0.18 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 1w49 s LEU 280 CO 0.17 0.05 0.01 0.28 0.23 0.00 0.00 176.35 177.10 1w49 s THR 281 N -1.75 0.06 0.09 5.49 -1.32 0.13 -0.45 115.64 117.90 1w49 s THR 281 Ca 0.34 -0.49 -0.21 0.00 -1.21 0.00 0.00 61.69 60.11 1w49 s THR 281 Cb -0.11 -0.18 0.05 0.00 -1.51 0.00 0.00 72.50 70.75 1w49 s THR 281 CO 0.28 -0.27 0.52 -1.38 -2.21 0.00 0.00 174.62 171.55 1w49 s HIS 282 N -0.81 -0.41 0.23 9.09 -3.43 -0.90 -4.18 115.29 114.88 1w49 s HIS 282 Ca -0.09 0.33 0.05 0.00 -0.80 0.00 0.00 55.06 54.55 1w49 s HIS 282 Cb -0.05 0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 31.44 1w49 s HIS 282 CO -0.00 -0.70 0.35 0.99 -2.00 0.00 0.00 174.74 173.37 1w49 s THR 283 N -3.01 5.27 -0.02 -5.38 2.01 -1.26 -0.97 115.64 112.27 1w49 s THR 283 Ca -0.02 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1w49 s THR 283 Cb -0.00 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1w49 s THR 283 CO -0.06 -0.30 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.76 1w49 s LEU 284 N -3.89 1.61 -0.00 4.42 1.02 0.13 -4.95 118.68 117.03 1w49 s LEU 284 Ca 0.34 -0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.40 1w49 s LEU 284 Cb -0.09 -0.34 -0.04 0.00 0.02 0.00 0.00 46.19 45.74 1w49 s LEU 284 CO 0.29 -0.00 0.01 -1.10 0.02 0.00 0.00 176.35 175.57 1w49 s GLN 285 N 0.45 2.83 0.11 1.70 -1.52 -1.26 -1.10 119.66 120.87 1w49 s GLN 285 Ca -0.05 -0.59 -0.03 0.00 -1.95 0.00 0.00 55.36 52.74 1w49 s GLN 285 Cb -0.09 -2.70 -0.03 0.00 -0.22 0.00 0.00 33.01 29.97 1w49 s GLN 285 CO -0.00 0.63 0.09 0.95 -0.25 0.00 0.00 175.29 176.71 1w49 s THR 286 N -1.09 0.13 0.08 -0.19 -4.23 -0.84 -0.50 115.64 109.00 1w49 s THR 286 Ca 0.20 -1.69 -0.16 0.00 -1.18 0.00 0.00 61.69 58.85 1w49 s THR 286 Cb -0.12 -1.78 0.03 0.00 1.34 0.00 0.00 72.50 71.98 1w49 s THR 286 CO 0.10 -0.60 0.38 -0.94 -0.54 0.00 0.00 174.62 173.03 1w49 s SER 287 N -2.98 -0.22 0.03 3.99 1.04 -0.80 -4.82 113.70 109.94 1w49 s SER 287 Ca 0.16 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.36 1w49 s SER 287 Cb 0.06 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1w49 s SER 287 CO -0.03 -0.75 0.19 -0.31 0.98 0.00 0.00 173.24 173.32 1w49 s TYR 288 N -3.19 3.53 0.00 5.02 2.02 -1.26 -1.37 117.35 122.10 1w49 s TYR 288 Ca -0.01 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.99 1w49 s TYR 288 Cb 0.01 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 1w49 s TYR 288 CO -0.07 0.62 0.00 0.41 -1.57 0.00 0.00 175.55 174.93 1w49 n GLY 289 N 0.63 4.05 3.81 0.71 0.00 -0.09 -4.98 105.19 109.30 1w49 n GLY 289 Ca -0.08 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 1w49 n GLY 289 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w49 s GLU 290 N 3.97 3.92 -1.60 1.61 2.02 -1.26 -3.94 118.70 123.42 1w49 s GLU 290 Ca 0.00 1.21 -0.14 0.00 0.02 0.00 0.00 54.97 56.06 1w49 s GLU 290 Cb 0.00 -2.12 0.11 0.00 0.10 0.00 0.00 34.13 32.22 1w49 s GLU 290 CO 0.00 -0.31 0.76 0.72 0.02 0.00 0.00 175.26 176.45 1w49 n HIS 291 N -1.03 -1.85 -1.85 1.61 8.25 -1.26 -2.13 115.22 116.96 1w49 n HIS 291 Ca 0.08 0.81 -0.21 0.00 -0.26 0.00 0.00 57.72 58.15 1w49 n HIS 291 Cb 0.53 -3.35 -0.06 0.00 1.12 0.00 0.00 29.99 28.23 1w49 n HIS 291 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1w49 n SER 292 N -2.77 -5.58 -4.68 0.41 7.64 -1.25 -4.95 113.62 102.43 1w49 n SER 292 Ca -0.01 0.35 -0.42 0.00 1.01 0.00 0.00 58.87 59.79 1w49 n SER 292 Cb 0.54 -4.84 -0.03 0.00 -1.01 0.00 0.00 64.21 58.87 1w49 n SER 292 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1w49 s VAL 293 N -2.84 4.61 0.03 0.44 1.01 -0.91 -4.86 120.40 117.89 1w49 s VAL 293 Ca 0.00 1.90 -0.04 0.00 0.00 0.00 0.00 61.98 63.84 1w49 s VAL 293 Cb 0.00 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1w49 s VAL 293 CO 0.00 -0.01 0.25 -0.22 0.00 0.00 0.00 175.10 175.12 1w49 s LEU 294 N 2.19 4.35 -0.05 3.92 2.96 -1.26 -0.92 118.68 129.87 1w49 s LEU 294 Ca 0.50 0.45 0.04 0.00 -0.22 0.00 0.00 54.13 54.91 1w49 s LEU 294 Cb -0.20 -2.80 -0.00 0.00 0.50 0.00 0.00 46.19 43.69 1w49 s LEU 294 CO 0.18 0.21 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.36 1w49 s THR 295 N -1.40 1.49 -0.25 3.68 2.01 -0.47 -4.68 115.64 116.03 1w49 s THR 295 Ca 0.31 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.40 1w49 s THR 295 Cb -0.13 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 1w49 s THR 295 CO 0.20 0.43 0.44 -0.63 -0.69 0.00 0.00 174.62 174.38 1w49 s ILE 296 N 0.12 5.13 0.50 1.82 1.01 -1.26 -1.91 121.20 126.62 1w49 s ILE 296 Ca -0.06 0.75 -0.21 0.00 0.00 0.00 0.00 60.65 61.12 1w49 s ILE 296 Cb -0.13 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.51 1w49 s ILE 296 CO 0.03 0.15 1.16 -1.00 0.00 0.00 0.00 174.94 175.28 1w49 s HIS 297 N 1.98 2.75 0.00 3.97 3.76 0.35 -5.00 115.29 123.10 1w49 s HIS 297 Ca 0.19 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.63 1w49 s HIS 297 Cb -0.15 -3.37 0.00 0.00 1.11 0.00 0.00 32.58 30.17 1w49 s HIS 297 CO 0.09 -1.63 0.00 2.41 -0.85 0.00 0.00 174.74 174.77 1w49 n THR 298 N -0.86 0.00 -1.34 1.30 -1.04 -1.26 -4.63 114.28 106.45 1w49 n THR 298 Ca 0.09 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.83 1w49 n THR 298 Cb 0.49 -0.28 -0.17 0.00 -1.82 0.00 0.00 70.33 68.55 1w49 n THR 298 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1w49 n SER 299 N 0.00 -0.61 0.00 8.00 2.88 -1.26 -4.95 113.62 117.67 1w49 n SER 299 Ca 0.00 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1w49 n SER 299 Cb 0.00 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 1w49 n SER 299 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1w49 n GLN 306 N 6.11 0.00 -2.68 -1.46 7.27 -1.26 -5.10 117.38 120.25 1w49 n GLN 306 Ca 0.60 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 57.26 1w49 n GLN 306 Cb 0.08 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.68 1w49 n GLN 306 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1w49 s ALA 307 N -1.37 3.30 -0.04 1.69 0.00 -1.26 0.23 121.76 124.31 1w49 s ALA 307 Ca 0.00 0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.66 1w49 s ALA 307 Cb 0.00 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1w49 s ALA 307 CO 0.00 -0.00 -0.19 -1.54 0.00 0.00 0.00 175.76 174.03 1w49 s SER 308 N -0.38 2.35 0.71 0.00 1.04 -0.08 -4.89 113.70 112.44 1w49 s SER 308 Ca 0.46 -0.38 -0.11 0.00 0.48 0.00 0.00 55.95 56.39 1w49 s SER 308 Cb -0.26 -0.62 0.02 0.00 0.10 0.00 0.00 66.02 65.26 1w49 s SER 308 CO 0.32 0.18 1.08 -0.83 0.98 0.00 0.00 173.24 174.96 1w49 s GLY 309 N -0.04 1.64 0.25 7.32 0.00 -1.26 -4.32 107.32 110.91 1w49 s GLY 309 Ca -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 44.72 44.49 1w49 s GLY 309 CO 0.02 0.19 1.85 1.70 0.00 0.00 0.00 173.10 176.86 1w49 h LYS 310 N -0.72 0.96 -0.96 2.90 1.63 -1.99 -1.26 116.57 117.12 1w49 h LYS 310 Ca -0.45 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.31 1w49 h LYS 310 Cb 1.23 -0.22 -0.05 0.00 -0.60 0.00 0.00 32.23 32.60 1w49 h LYS 310 CO 0.61 0.64 0.64 0.00 -3.45 0.00 0.00 179.45 177.88 1w49 h ALA 311 N 1.44 1.35 -0.32 5.00 0.00 -2.00 -1.70 119.26 123.02 1w49 h ALA 311 Ca 0.40 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 1w49 h ALA 311 Cb 0.23 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1w49 h ALA 311 CO -0.19 0.58 -0.33 0.82 0.00 0.00 0.00 179.25 180.13 1w49 h ILE 312 N 1.26 1.28 -0.24 0.00 2.04 -1.68 -2.37 117.51 117.80 1w49 h ILE 312 Ca 0.37 -1.48 0.01 0.00 1.00 0.00 0.00 64.86 64.76 1w49 h ILE 312 Cb -0.07 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1w49 h ILE 312 CO -0.10 0.48 0.14 -0.61 0.00 0.00 0.00 178.15 178.06 1w49 h GLN 313 N 0.59 0.29 -0.14 2.37 -0.00 -0.45 -1.79 115.11 115.98 1w49 h GLN 313 Ca 0.06 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.65 1w49 h GLN 313 Cb 0.85 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.26 1w49 h GLN 313 CO 0.07 0.19 -0.12 1.15 0.00 0.00 0.00 178.83 180.12 1w49 h THR 314 N 0.29 1.17 -0.48 2.39 2.02 -1.22 -1.98 112.91 115.11 1w49 h THR 314 Ca 0.10 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1w49 h THR 314 Cb -0.00 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1w49 h THR 314 CO -0.04 0.23 0.23 0.58 0.37 0.00 0.00 175.52 176.88 1w49 h VAL 315 N 0.20 1.19 -0.48 3.16 2.07 -0.80 -2.14 116.25 119.44 1w49 h VAL 315 Ca 0.04 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1w49 h VAL 315 Cb 0.34 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1w49 h VAL 315 CO 0.02 0.21 -0.01 0.40 0.02 0.00 0.00 177.57 178.21 1w49 h ILE 316 N 0.63 1.24 0.00 4.57 5.03 -1.00 -2.39 117.51 125.59 1w49 h ILE 316 Ca 0.16 -1.02 -0.01 0.00 -0.12 0.00 0.00 64.86 63.87 1w49 h ILE 316 Cb 0.12 0.89 -0.00 0.00 -3.03 0.00 0.00 36.82 34.79 1w49 h ILE 316 CO -0.02 0.36 -0.06 0.11 -0.68 0.00 0.00 178.15 177.86 1w49 h LYS 317 N 0.75 0.00 -0.06 2.37 1.79 -0.84 -1.78 116.57 118.80 1w49 h LYS 317 Ca 0.14 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.57 1w49 h LYS 317 Cb 0.47 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1w49 h LYS 317 CO 0.02 0.06 -0.16 -0.91 -1.08 0.00 0.00 179.45 177.37 1w49 h ASN 318 N 0.00 0.09 -1.27 0.86 4.21 -0.86 -2.80 115.58 115.81 1w49 h ASN 318 Ca -0.00 -0.02 0.37 0.00 1.21 0.00 0.00 56.30 57.86 1w49 h ASN 318 Cb 0.10 -0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 37.23 1w49 h ASN 318 CO 0.01 0.26 0.93 0.44 -1.29 0.00 0.00 177.43 177.78 1w49 h ASP 319 N 0.09 0.00 -1.21 5.81 5.19 -1.37 -2.64 116.42 122.28 1w49 h ASP 319 Ca 0.02 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.83 1w49 h ASP 319 Cb 0.35 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 39.69 1w49 h ASP 319 CO 0.02 0.00 1.01 -0.62 -3.12 0.00 0.00 179.24 176.53 1w49 n GLU 320 N -4.12 3.15 0.00 3.56 1.02 -1.06 -4.61 120.64 118.58 1w49 n GLU 320 Ca 0.28 -2.83 0.00 0.00 -0.02 0.00 0.00 57.16 54.59 1w49 n GLU 320 Cb 1.34 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1w49 n GLU 320 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59