#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w44 s ILE 2 N 0.00 5.13 0.05 3.17 -4.36 -1.26 -5.10 121.20 118.82 1w44 s ILE 2 Ca 0.00 -0.40 0.04 0.00 -0.26 0.00 0.00 60.65 60.03 1w44 s ILE 2 Cb 0.00 -3.82 -0.02 0.00 1.25 0.00 0.00 42.46 39.87 1w44 s ILE 2 CO 0.00 -0.43 -0.12 -1.00 0.24 0.00 0.00 174.94 173.64 1w44 s HIS 3 N -2.16 1.01 -0.07 1.37 3.76 -1.26 -4.78 115.29 113.16 1w44 s HIS 3 Ca 0.40 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 1w44 s HIS 3 Cb -0.10 -0.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 1w44 s HIS 3 CO 0.33 0.01 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.67 1w44 s LEU 4 N -1.39 3.26 0.04 0.89 1.43 -1.26 -5.12 118.68 116.53 1w44 s LEU 4 Ca -0.03 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1w44 s LEU 4 Cb -0.09 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1w44 s LEU 4 CO 0.01 0.36 -0.04 -0.31 0.23 0.00 0.00 176.35 176.60 1w44 s TYR 5 N -0.79 0.45 0.46 0.29 2.02 -1.26 -4.97 117.35 113.55 1w44 s TYR 5 Ca 0.12 -0.74 0.03 0.00 -0.37 0.00 0.00 57.07 56.10 1w44 s TYR 5 Cb -0.11 -0.31 -0.01 0.00 -0.40 0.00 0.00 41.96 41.12 1w44 s TYR 5 CO 0.02 -0.24 0.10 0.16 -1.57 0.00 0.00 175.55 174.02 1w44 s ASP 6 N -2.11 3.33 0.27 2.29 1.47 -1.26 -4.96 116.67 115.69 1w44 s ASP 6 Ca -0.05 -1.73 -0.01 0.00 1.18 0.00 0.00 52.55 51.95 1w44 s ASP 6 Cb -0.03 0.63 0.50 0.00 -0.34 0.00 0.00 42.92 43.69 1w44 s ASP 6 CO -0.04 -0.97 1.82 0.00 0.68 0.00 0.00 175.17 176.66 1w44 h ALA 7 N 1.58 1.39 -0.01 2.11 0.00 -2.01 -1.36 119.26 120.95 1w44 h ALA 7 Ca -0.37 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1w44 h ALA 7 Cb 1.29 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1w44 h ALA 7 CO 0.60 0.15 -0.00 0.87 0.00 0.00 0.00 179.25 180.87 1w44 h LYS 8 N 0.89 0.01 0.00 0.00 1.57 -1.99 -1.37 116.57 115.68 1w44 h LYS 8 Ca 0.46 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.19 1w44 h LYS 8 Cb 0.47 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1w44 h LYS 8 CO -0.27 0.45 -0.24 0.66 -0.57 0.00 0.00 179.45 179.48 1w44 h SER 9 N -0.43 0.00 -0.02 0.86 4.64 -1.92 -1.97 113.55 114.71 1w44 h SER 9 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1w44 h SER 9 Cb 0.45 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1w44 h SER 9 CO 0.00 0.24 -0.79 0.15 -0.87 0.00 0.00 176.83 175.56 1w44 h PHE 10 N 0.00 0.93 -0.47 4.77 3.57 -1.16 -1.47 116.94 123.11 1w44 h PHE 10 Ca -0.00 -0.42 -0.10 0.00 3.53 0.00 0.00 57.97 60.98 1w44 h PHE 10 Cb 0.56 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1w44 h PHE 10 CO 0.00 1.23 -0.11 0.00 -2.23 0.00 0.00 178.31 177.21 1w44 h ALA 11 N 0.65 0.93 -0.55 2.41 0.00 -0.98 -1.30 119.26 120.42 1w44 h ALA 11 Ca -0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1w44 h ALA 11 Cb 1.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1w44 h ALA 11 CO 0.15 0.62 -0.01 0.87 0.00 0.00 0.00 179.25 180.89 1w44 h LYS 12 N 0.77 0.95 -0.18 0.00 1.57 -1.24 -1.58 116.57 116.86 1w44 h LYS 12 Ca 0.13 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1w44 h LYS 12 Cb 0.61 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1w44 h LYS 12 CO 0.04 0.94 0.10 1.25 -0.57 0.00 0.00 179.45 181.21 1w44 h LEU 13 N 0.87 0.22 -1.22 2.94 5.85 -0.88 -0.99 115.31 122.11 1w44 h LEU 13 Ca 0.16 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1w44 h LEU 13 Cb 0.52 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1w44 h LEU 13 CO 0.03 0.25 0.17 0.03 -0.34 0.00 0.00 178.44 178.57 1w44 h ARG 14 N 0.18 0.71 -0.47 1.25 2.47 -1.04 0.09 114.38 117.57 1w44 h ARG 14 Ca 0.06 -0.11 -0.04 0.00 -1.26 0.00 0.00 59.98 58.63 1w44 h ARG 14 Cb 0.07 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 1w44 h ARG 14 CO -0.01 0.61 0.14 0.00 0.56 0.00 0.00 179.97 181.27 1w44 h ALA 15 N 1.49 0.62 -0.42 0.04 0.00 -1.02 0.58 119.26 120.54 1w44 h ALA 15 Ca 0.17 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1w44 h ALA 15 Cb 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1w44 h ALA 15 CO -0.01 0.29 -0.15 0.00 0.00 0.00 0.00 179.25 179.37 1w44 h ALA 16 N 1.00 0.93 -0.42 0.00 0.00 -0.48 -1.65 119.26 118.64 1w44 h ALA 16 Ca 0.15 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1w44 h ALA 16 Cb 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1w44 h ALA 16 CO -0.00 0.62 -0.23 1.96 0.00 0.00 0.00 179.25 181.60 1w44 h GLN 17 N 0.71 0.90 -0.59 0.00 4.20 -0.81 -0.99 115.11 118.52 1w44 h GLN 17 Ca 0.11 -0.40 0.05 0.00 0.06 0.00 0.00 58.65 58.47 1w44 h GLN 17 Cb 0.65 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.36 1w44 h GLN 17 CO 0.05 1.05 0.32 -0.92 -0.67 0.00 0.00 178.83 178.66 1w44 h TYR 18 N 0.72 0.58 -0.25 2.96 5.03 -0.60 -2.45 116.97 122.96 1w44 h TYR 18 Ca 0.09 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.31 1w44 h TYR 18 Cb 0.80 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.89 1w44 h TYR 18 CO 0.06 0.28 -0.32 0.00 -1.32 0.00 0.00 178.16 176.86 1w44 h ALA 19 N 1.31 0.98 -0.18 1.82 0.00 -1.15 -1.00 119.26 121.04 1w44 h ALA 19 Ca 0.26 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1w44 h ALA 19 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1w44 h ALA 19 CO -0.17 0.60 0.16 0.00 0.00 0.00 0.00 179.25 179.84 1w44 h ALA 20 N 1.20 1.99 0.00 0.00 0.00 -0.68 -0.02 119.26 121.75 1w44 h ALA 20 Ca 0.05 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 1w44 h ALA 20 Cb 0.78 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1w44 h ALA 20 CO 0.06 -0.25 -1.61 0.34 0.00 0.00 0.00 179.25 177.79 1w44 n PHE 21 N -4.17 0.23 0.10 0.00 7.35 -1.12 -1.39 117.46 118.47 1w44 n PHE 21 Ca 0.01 0.10 -0.05 0.00 -0.76 0.00 0.00 57.45 56.76 1w44 n PHE 21 Cb 0.29 -0.81 0.10 0.00 0.35 0.00 0.00 39.48 39.41 1w44 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1w44 h HIS 22 N -1.00 0.21 0.00 -5.13 3.86 -1.16 -3.41 115.15 108.52 1w44 h HIS 22 Ca -0.33 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1w44 h HIS 22 Cb 1.23 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1w44 h HIS 22 CO -0.20 0.78 -0.66 0.25 0.86 0.00 0.00 177.93 178.96 1w44 n THR 23 N -3.79 0.00 -1.07 2.45 -2.24 -0.70 -5.04 114.28 103.89 1w44 n THR 23 Ca -0.02 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 1w44 n THR 23 Cb 0.67 0.24 0.13 0.00 -2.10 0.00 0.00 70.33 69.26 1w44 n THR 23 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1w44 s ASP 24 N -1.41 3.55 0.26 3.42 1.11 -0.11 -4.92 116.67 118.58 1w44 s ASP 24 Ca 0.00 2.31 -0.29 0.00 0.18 0.00 0.00 52.55 54.75 1w44 s ASP 24 Cb 0.00 -2.58 -0.09 0.00 1.07 0.00 0.00 42.92 41.31 1w44 s ASP 24 CO 0.00 -2.69 1.24 0.00 1.18 0.00 0.00 175.17 174.90 1w44 s ALA 25 N -2.25 3.48 0.14 5.23 0.00 -1.26 -4.92 121.76 122.17 1w44 s ALA 25 Ca 0.72 1.09 -0.34 0.00 0.00 0.00 0.00 51.96 53.42 1w44 s ALA 25 Cb -0.27 -3.43 -0.14 0.00 0.00 0.00 0.00 23.12 19.28 1w44 s ALA 25 CO 0.52 -0.45 1.59 -2.30 0.00 0.00 0.00 175.76 175.11 1w44 n PRO 26 N 1.66 2.12 -0.44 0.00 -0.02 -1.26 -1.34 135.00 135.72 1w44 n PRO 26 Ca 0.02 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1w44 n PRO 26 Cb 0.43 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1w44 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w44 n GLY 27 N 3.44 1.65 0.22 -1.23 0.00 -0.35 -4.79 105.19 104.13 1w44 n GLY 27 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 1w44 n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1w44 h SER 28 N 0.00 0.35 -0.26 1.61 4.64 -1.41 -2.77 113.55 115.71 1w44 h SER 28 Ca 0.00 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 1w44 h SER 28 Cb 0.00 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1w44 h SER 28 CO 0.00 0.63 -0.07 -0.25 -0.87 0.00 0.00 176.83 176.26 1w44 h TRP 29 N 0.31 0.68 -0.56 4.77 2.91 -1.82 -0.57 115.95 121.67 1w44 h TRP 29 Ca 0.05 -0.10 -0.02 0.00 1.13 0.00 0.00 58.89 59.95 1w44 h TRP 29 Cb 0.65 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 29.09 1w44 h TRP 29 CO 0.02 0.69 0.28 0.35 -1.03 0.00 0.00 178.44 178.75 1w44 h PHE 30 N 0.59 0.80 -0.73 2.65 3.57 -1.61 0.06 116.94 122.27 1w44 h PHE 30 Ca 0.11 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1w44 h PHE 30 Cb 0.48 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1w44 h PHE 30 CO 0.02 0.61 0.21 -0.44 -2.23 0.00 0.00 178.31 176.47 1w44 h ASP 31 N 0.76 1.08 -0.06 0.41 3.45 -1.18 -1.07 116.42 119.80 1w44 h ASP 31 Ca 0.19 -0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1w44 h ASP 31 Cb 0.10 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 38.58 1w44 h ASP 31 CO -0.03 1.01 0.03 -0.74 -1.57 0.00 0.00 179.24 177.94 1w44 h HIS 32 N 1.09 0.05 0.00 4.55 2.76 -0.57 -2.74 115.15 120.30 1w44 h HIS 32 Ca 0.23 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.34 1w44 h HIS 32 Cb 0.33 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1w44 h HIS 32 CO 0.03 0.03 -0.33 1.79 -1.30 0.00 0.00 177.93 178.15 1w44 h THR 33 N 0.06 1.05 -0.74 6.26 1.35 -0.76 -2.16 112.91 117.98 1w44 h THR 33 Ca 0.02 -1.21 -0.02 0.00 -0.55 0.00 0.00 66.41 64.65 1w44 h THR 33 Cb 0.00 1.68 -0.03 0.00 -1.73 0.00 0.00 68.15 68.07 1w44 h THR 33 CO -0.02 0.32 0.37 0.28 -0.25 0.00 0.00 175.52 176.23 1w44 h SER 34 N 0.00 0.95 -0.59 5.36 0.02 -0.97 -0.24 113.55 118.08 1w44 h SER 34 Ca -0.00 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 1w44 h SER 34 Cb 0.66 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1w44 h SER 34 CO 0.04 0.80 0.07 1.23 -1.14 0.00 0.00 176.83 177.84 1w44 h GLY 35 N 1.03 1.07 1.00 -3.77 0.00 -1.12 0.24 103.07 101.53 1w44 h GLY 35 Ca 0.26 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1w44 h GLY 35 CO -0.04 0.68 0.11 -2.08 0.00 0.00 0.00 176.54 175.21 1w44 h VAL 36 N 0.90 1.04 -0.54 4.60 2.07 -1.01 -2.04 116.25 121.27 1w44 h VAL 36 Ca 0.18 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1w44 h VAL 36 Cb 0.45 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1w44 h VAL 36 CO 0.02 0.04 0.35 -0.07 0.02 0.00 0.00 177.57 177.93 1w44 h LEU 37 N 0.22 0.63 -1.05 2.57 3.38 -0.86 -2.39 115.31 117.81 1w44 h LEU 37 Ca 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1w44 h LEU 37 Cb -0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1w44 h LEU 37 CO -0.01 0.47 0.00 1.05 0.09 0.00 0.00 178.44 180.03 1w44 h GLU 38 N 0.74 0.00 -0.01 1.13 4.11 -0.59 -1.74 114.58 118.22 1w44 h GLU 38 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1w44 h GLU 38 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1w44 h GLU 38 CO -0.04 0.00 -0.18 -1.13 0.07 0.00 0.00 179.01 177.73 1w44 n SER 39 N -2.39 0.87 -4.76 3.06 3.41 -0.80 -4.88 113.62 108.13 1w44 n SER 39 Ca 0.01 -0.84 -0.41 0.00 -0.26 0.00 0.00 58.87 57.38 1w44 n SER 39 Cb 0.19 0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 1w44 n SER 39 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1w44 s VAL 40 N -2.44 3.13 0.58 -3.33 1.01 -0.66 -4.97 120.40 113.72 1w44 s VAL 40 Ca 0.27 1.13 -0.19 0.00 0.00 0.00 0.00 61.98 63.19 1w44 s VAL 40 Cb 0.20 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1w44 s VAL 40 CO 0.49 0.26 1.04 -0.62 0.00 0.00 0.00 175.10 176.27 1w44 n GLU 41 N 1.10 1.06 -2.02 2.72 1.02 -1.26 -4.90 120.64 118.36 1w44 n GLU 41 Ca -0.00 0.40 -0.41 0.00 -0.02 0.00 0.00 57.16 57.14 1w44 n GLU 41 Cb 0.43 -2.23 -0.01 0.00 -0.02 0.00 0.00 31.44 29.61 1w44 n GLU 41 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1w44 s ASP 42 N -1.16 6.57 0.00 1.62 1.01 -1.26 -2.42 116.67 121.04 1w44 s ASP 42 Ca 0.74 2.79 0.00 0.00 0.71 0.00 0.00 52.55 56.79 1w44 s ASP 42 Cb -0.43 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 40.85 1w44 s ASP 42 CO 0.48 -0.68 0.00 0.61 0.21 0.00 0.00 175.17 175.79 1w44 n GLY 43 N 0.68 1.64 3.72 0.21 0.00 -1.26 -5.02 105.19 105.15 1w44 n GLY 43 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1w44 n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w44 s THR 44 N -3.42 4.57 0.25 2.61 2.01 -1.01 -4.97 115.64 115.68 1w44 s THR 44 Ca 0.00 1.95 -0.30 0.00 0.31 0.00 0.00 61.69 63.65 1w44 s THR 44 Cb 0.00 -4.25 -0.10 0.00 0.01 0.00 0.00 72.50 68.16 1w44 s THR 44 CO 0.00 0.21 1.42 -2.84 -0.69 0.00 0.00 174.62 172.71 1w44 s PRO 45 N 0.62 4.29 0.00 4.92 0.02 -1.26 -4.18 135.00 139.40 1w44 s PRO 45 Ca 0.51 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.80 1w44 s PRO 45 Cb -0.23 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1w44 s PRO 45 CO 0.29 -0.39 0.00 1.33 -0.33 0.00 0.00 177.00 177.91 1w44 n VAL 46 N 2.25 0.00 -3.75 3.83 0.24 -0.39 -4.56 118.33 115.95 1w44 n VAL 46 Ca 0.06 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.24 1w44 n VAL 46 Cb 0.41 0.25 -0.12 0.00 -1.47 0.00 0.00 33.84 32.91 1w44 n VAL 46 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1w44 s LEU 47 N -2.50 0.65 -0.04 1.34 2.96 -1.15 0.39 118.68 120.33 1w44 s LEU 47 Ca 0.00 0.57 0.04 0.00 -0.22 0.00 0.00 54.13 54.52 1w44 s LEU 47 Cb 0.00 0.89 -0.00 0.00 0.50 0.00 0.00 46.19 47.57 1w44 s LEU 47 CO 0.00 -0.13 -0.16 0.00 -1.32 0.00 0.00 176.35 174.73 1w44 s ALA 48 N 0.71 1.46 0.00 5.97 0.00 -0.59 -0.83 121.76 128.48 1w44 s ALA 48 Ca -0.05 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1w44 s ALA 48 Cb -0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1w44 s ALA 48 CO -0.04 0.28 -0.06 -1.50 0.00 0.00 0.00 175.76 174.44 1w44 s ILE 49 N -0.01 0.42 0.14 0.00 2.07 -0.60 -0.76 121.20 122.47 1w44 s ILE 49 Ca -0.02 -0.34 -0.30 0.00 -1.41 0.00 0.00 60.65 58.58 1w44 s ILE 49 Cb -0.11 -0.38 -0.07 0.00 0.13 0.00 0.00 42.46 42.03 1w44 s ILE 49 CO 0.02 0.05 1.21 -0.83 -1.91 0.00 0.00 174.94 173.48 1w44 s GLY 50 N -0.32 2.53 0.74 1.50 0.00 -1.26 -1.56 107.32 108.95 1w44 s GLY 50 Ca 0.00 0.93 -0.03 0.00 0.00 0.00 0.00 44.72 45.62 1w44 s GLY 50 CO -0.00 1.95 1.03 -1.34 0.00 0.00 0.00 173.10 174.74 1w44 s VAL 51 N 0.38 2.16 0.23 1.40 -7.23 -0.14 -4.84 120.40 112.36 1w44 s VAL 51 Ca 0.56 -0.50 -0.12 0.00 -1.81 0.00 0.00 61.98 60.11 1w44 s VAL 51 Cb -0.32 -2.66 0.31 0.00 0.56 0.00 0.00 36.38 34.27 1w44 s VAL 51 CO 0.34 0.00 1.61 -0.08 -0.31 0.00 0.00 175.10 176.65 1w44 h GLU 52 N -0.65 0.00 0.00 4.82 4.81 -1.88 -0.13 114.58 121.54 1w44 h GLU 52 Ca -0.38 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1w44 h GLU 52 Cb 1.27 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1w44 h GLU 52 CO 0.42 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.36 1w44 h SER 53 N 0.00 0.00 0.00 1.04 4.64 -1.96 -1.03 113.55 116.24 1w44 h SER 53 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1w44 h SER 53 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1w44 h SER 53 CO -0.77 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.80 1w44 n GLY 54 N -0.48 0.87 3.62 -0.77 0.00 -0.06 -4.75 105.19 103.61 1w44 n GLY 54 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1w44 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w44 s ASP 55 N -1.88 1.08 0.01 1.61 -0.00 -1.26 -4.75 116.67 111.48 1w44 s ASP 55 Ca 0.00 0.58 0.02 0.00 -0.00 0.00 0.00 52.55 53.15 1w44 s ASP 55 Cb 0.00 -0.79 -0.01 0.00 -0.00 0.00 0.00 42.92 42.12 1w44 s ASP 55 CO 0.00 -4.02 -0.06 0.00 -0.00 0.00 0.00 175.17 171.09 1w44 s ALA 56 N -3.09 0.48 0.13 5.23 0.00 -1.26 -0.97 121.76 122.28 1w44 s ALA 56 Ca 0.71 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.31 1w44 s ALA 56 Cb -0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1w44 s ALA 56 CO 0.56 0.06 0.17 0.96 0.00 0.00 0.00 175.76 177.51 1w44 s ILE 57 N -0.54 4.77 0.01 0.00 -4.36 -0.60 -1.54 121.20 118.94 1w44 s ILE 57 Ca -0.02 -0.86 0.06 0.00 -0.26 0.00 0.00 60.65 59.57 1w44 s ILE 57 Cb -0.05 -3.40 -0.02 0.00 1.25 0.00 0.00 42.46 40.24 1w44 s ILE 57 CO -0.00 -0.03 -0.19 -0.69 0.24 0.00 0.00 174.94 174.27 1w44 s VAL 58 N -1.65 1.49 0.20 8.37 1.01 -1.26 -1.55 120.40 127.00 1w44 s VAL 58 Ca 0.32 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.45 1w44 s VAL 58 Cb -0.11 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1w44 s VAL 58 CO 0.25 0.31 -0.17 -0.36 0.00 0.00 0.00 175.10 175.13 1w44 s PHE 59 N -0.58 1.84 0.55 5.22 0.40 -0.01 -0.15 117.98 125.25 1w44 s PHE 59 Ca 0.07 -0.49 0.07 0.00 -0.60 0.00 0.00 56.93 55.97 1w44 s PHE 59 Cb -0.08 -0.87 0.10 0.00 0.51 0.00 0.00 43.02 42.68 1w44 s PHE 59 CO 0.00 0.40 0.76 -0.40 0.70 0.00 0.00 175.22 176.69 1w44 n ASP 60 N -0.14 1.74 0.18 1.36 5.75 -0.23 -1.26 116.55 123.94 1w44 n ASP 60 Ca -0.10 -2.30 0.13 0.00 -0.01 0.00 0.00 54.79 52.51 1w44 n ASP 60 Cb 0.59 -0.43 0.63 0.00 -1.03 0.00 0.00 41.12 40.89 1w44 n ASP 60 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1w44 h LYS 61 N 0.00 0.00 -0.64 0.11 2.10 -1.90 -1.31 116.57 114.94 1w44 h LYS 61 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1w44 h LYS 61 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1w44 h LYS 61 CO 0.34 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.88 1w44 n ASN 62 N -2.36 4.35 -1.54 7.07 5.03 -1.26 -4.93 115.26 121.62 1w44 n ASN 62 Ca -0.01 -2.30 -0.12 0.00 0.87 0.00 0.00 54.58 53.02 1w44 n ASN 62 Cb 0.08 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.32 1w44 n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1w44 n ALA 63 N 1.18 -0.42 -2.75 5.41 0.00 -0.49 -5.01 120.51 118.41 1w44 n ALA 63 Ca 0.24 0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.45 1w44 n ALA 63 Cb 0.77 -1.81 -0.09 0.00 0.00 0.00 0.00 19.45 18.32 1w44 n ALA 63 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1w44 s GLN 64 N -4.80 3.26 0.37 0.00 -1.52 -1.26 -4.88 119.66 110.83 1w44 s GLN 64 Ca 0.06 -0.38 -0.27 0.00 -1.95 0.00 0.00 55.36 52.82 1w44 s GLN 64 Cb -0.02 -2.91 -0.09 0.00 -0.22 0.00 0.00 33.01 29.76 1w44 s GLN 64 CO 0.07 0.60 1.23 0.50 -0.25 0.00 0.00 175.29 177.44 1w44 s ARG 65 N -0.57 4.16 -0.23 2.91 3.52 -1.26 -1.06 118.95 126.40 1w44 s ARG 65 Ca 0.10 2.01 -0.09 0.00 -0.13 0.00 0.00 55.73 57.62 1w44 s ARG 65 Cb -0.12 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 1w44 s ARG 65 CO 0.02 -0.29 0.11 0.42 -0.81 0.00 0.00 175.30 174.76 1w44 s ILE 66 N -1.28 4.90 -0.14 4.11 1.01 0.79 -4.88 121.20 125.71 1w44 s ILE 66 Ca 0.54 0.02 0.15 0.00 0.00 0.00 0.00 60.65 61.36 1w44 s ILE 66 Cb -0.35 -3.28 -0.24 0.00 0.01 0.00 0.00 42.46 38.60 1w44 s ILE 66 CO 0.45 0.36 0.31 1.33 0.00 0.00 0.00 174.94 177.38 1w44 n VAL 67 N 4.40 1.49 -3.75 2.92 0.24 -1.26 -4.54 118.33 117.83 1w44 n VAL 67 Ca -0.16 -0.83 -0.15 0.00 -2.04 0.00 0.00 64.34 61.17 1w44 n VAL 67 Cb 0.52 -0.73 -0.16 0.00 -1.47 0.00 0.00 33.84 32.00 1w44 n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1w44 s ALA 68 N -2.53 -0.03 -0.21 2.33 0.00 -1.26 -0.27 121.76 119.78 1w44 s ALA 68 Ca -0.08 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 1w44 s ALA 68 Cb 0.07 -0.36 0.10 0.00 0.00 0.00 0.00 23.12 22.93 1w44 s ALA 68 CO 0.82 -0.16 0.41 -0.47 0.00 0.00 0.00 175.76 176.36 1w44 s TYR 69 N 1.21 -0.83 0.36 0.00 6.14 0.98 -4.90 117.35 120.31 1w44 s TYR 69 Ca -0.08 1.37 -0.27 0.00 0.64 0.00 0.00 57.07 58.73 1w44 s TYR 69 Cb -0.12 0.24 -0.09 0.00 0.42 0.00 0.00 41.96 42.41 1w44 s TYR 69 CO -0.04 -0.55 1.19 0.15 0.64 0.00 0.00 175.55 176.94 1w44 s LYS 70 N 2.60 4.23 -0.07 4.97 1.02 -1.26 -0.51 119.74 130.72 1w44 s LYS 70 Ca 0.02 1.92 -0.33 0.00 0.02 0.00 0.00 55.97 57.60 1w44 s LYS 70 Cb -0.13 -2.86 -0.16 0.00 -0.52 0.00 0.00 37.83 34.16 1w44 s LYS 70 CO -0.14 -0.19 0.94 -1.91 -0.92 0.00 0.00 175.35 173.13 1w44 n GLU 71 N 0.45 0.00 -3.70 1.68 2.13 -1.25 -4.76 120.64 115.19 1w44 n GLU 71 Ca 0.02 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.70 1w44 n GLU 71 Cb 0.45 -1.21 -0.14 0.00 0.27 0.00 0.00 31.44 30.81 1w44 n GLU 71 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1w44 s LYS 72 N 0.44 0.12 -0.09 5.31 2.36 -0.37 -4.98 119.74 122.53 1w44 s LYS 72 Ca 0.75 0.55 -0.02 0.00 -2.55 0.00 0.00 55.97 54.70 1w44 s LYS 72 Cb -1.06 -0.16 -0.03 0.00 -1.05 0.00 0.00 37.83 35.53 1w44 s LYS 72 CO 0.50 -0.23 0.00 -1.12 1.55 0.00 0.00 175.35 176.05 1w44 s SER 73 N 1.78 5.24 -0.05 1.43 0.01 -1.26 -1.13 113.70 119.71 1w44 s SER 73 Ca -0.04 0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.39 1w44 s SER 73 Cb -0.12 -1.48 0.01 0.00 0.21 0.00 0.00 66.02 64.65 1w44 s SER 73 CO -0.07 0.38 -0.10 -0.69 0.41 0.00 0.00 173.24 173.17 1w44 s VAL 74 N -0.88 0.92 -0.18 3.43 1.01 0.10 -4.97 120.40 119.84 1w44 s VAL 74 Ca 0.13 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 1w44 s VAL 74 Cb -0.11 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1w44 s VAL 74 CO 0.02 0.30 0.22 -0.75 0.00 0.00 0.00 175.10 174.89 1w44 s LYS 75 N 0.66 4.22 0.73 2.72 2.20 -1.26 -0.35 119.74 128.65 1w44 s LYS 75 Ca -0.12 -0.05 -0.06 0.00 -0.36 0.00 0.00 55.97 55.38 1w44 s LYS 75 Cb -0.14 -3.42 0.09 0.00 -1.51 0.00 0.00 37.83 32.85 1w44 s LYS 75 CO 0.02 0.27 1.03 0.00 -0.36 0.00 0.00 175.35 176.32 1w44 s ALA 76 N 0.40 3.22 0.29 3.13 0.00 0.64 -4.97 121.76 124.47 1w44 s ALA 76 Ca 0.13 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 1w44 s ALA 76 Cb -0.12 -2.44 0.43 0.00 0.00 0.00 0.00 23.12 20.99 1w44 s ALA 76 CO 0.01 -1.44 1.95 1.49 0.00 0.00 0.00 175.76 177.77 1w44 h GLU 77 N -0.67 1.11 0.00 0.00 4.81 -1.98 -1.91 114.58 115.95 1w44 h GLU 77 Ca -0.42 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1w44 h GLU 77 Cb 1.29 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1w44 h GLU 77 CO 0.52 0.73 0.00 -0.40 -0.73 0.00 0.00 179.01 179.13 1w44 n ASP 78 N -4.42 0.00 0.00 1.04 3.85 -1.26 -4.87 116.55 110.89 1w44 n ASP 78 Ca 0.11 -0.69 0.00 0.00 -0.71 0.00 0.00 54.79 53.50 1w44 n ASP 78 Cb 0.07 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 1w44 n ASP 78 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1w44 n GLY 79 N 0.95 0.51 3.77 6.12 0.00 -0.72 -4.97 105.19 110.85 1w44 n GLY 79 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1w44 n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w44 s SER 80 N -1.86 7.01 -0.14 1.61 1.04 -1.26 -4.71 113.70 115.38 1w44 s SER 80 Ca 0.00 2.20 -0.04 0.00 0.48 0.00 0.00 55.95 58.59 1w44 s SER 80 Cb 0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 1w44 s SER 80 CO 0.00 -0.32 -0.00 -0.69 0.98 0.00 0.00 173.24 173.20 1w44 s VAL 81 N -1.36 4.21 -0.23 5.02 1.01 -1.26 -0.26 120.40 127.53 1w44 s VAL 81 Ca 0.50 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 1w44 s VAL 81 Cb -0.29 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1w44 s VAL 81 CO 0.36 0.52 0.04 -0.55 0.00 0.00 0.00 175.10 175.47 1w44 s SER 82 N 0.03 4.97 -0.17 3.32 0.15 0.52 -4.94 113.70 117.58 1w44 s SER 82 Ca 0.02 -0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.43 1w44 s SER 82 Cb -0.13 -1.88 -0.01 0.00 -1.71 0.00 0.00 66.02 62.29 1w44 s SER 82 CO 0.02 -0.01 -0.08 -0.69 1.20 0.00 0.00 173.24 173.68 1w44 s VAL 83 N 1.43 3.28 -0.05 4.45 1.01 -1.26 -0.72 120.40 128.54 1w44 s VAL 83 Ca 0.05 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1w44 s VAL 83 Cb -0.15 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1w44 s VAL 83 CO 0.02 0.48 -0.25 -0.69 0.00 0.00 0.00 175.10 174.66 1w44 s VAL 84 N 0.86 2.10 -0.19 2.92 1.01 -0.28 -2.31 120.40 124.51 1w44 s VAL 84 Ca -0.02 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 1w44 s VAL 84 Cb -0.15 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.54 1w44 s VAL 84 CO 0.01 0.57 0.46 -1.58 0.00 0.00 0.00 175.10 174.56 1w44 s GLN 85 N -0.30 0.46 -0.08 2.72 0.74 -0.23 -1.23 119.66 121.74 1w44 s GLN 85 Ca 0.01 0.85 0.04 0.00 0.05 0.00 0.00 55.36 56.31 1w44 s GLN 85 Cb -0.13 0.02 -0.00 0.00 1.10 0.00 0.00 33.01 34.01 1w44 s GLN 85 CO 0.02 -0.15 -0.22 0.08 -0.55 0.00 0.00 175.29 174.47 1w44 s VAL 86 N 1.36 1.86 -0.02 1.34 1.01 0.33 0.17 120.40 126.45 1w44 s VAL 86 Ca -0.09 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1w44 s VAL 86 Cb -0.07 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1w44 s VAL 86 CO -0.13 0.52 -0.02 -0.70 0.00 0.00 0.00 175.10 174.76 1w44 s GLU 87 N 0.23 0.35 -1.68 2.72 2.12 -0.23 -0.02 118.70 122.18 1w44 s GLU 87 Ca -0.13 -0.06 -0.18 0.00 0.36 0.00 0.00 54.97 54.97 1w44 s GLU 87 Cb -0.16 -0.41 0.15 0.00 0.26 0.00 0.00 34.13 33.97 1w44 s GLU 87 CO 0.06 -0.01 0.81 0.09 -0.54 0.00 0.00 175.26 175.67 1w44 n ASN 88 N 3.49 -3.47 0.00 -1.70 4.13 -1.04 -1.03 115.26 115.64 1w44 n ASN 88 Ca -0.19 -0.98 0.00 0.00 1.68 0.00 0.00 54.58 55.09 1w44 n ASN 88 Cb 0.55 -2.90 0.00 0.00 -1.54 0.00 0.00 39.78 35.89 1w44 n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1w44 n GLY 89 N -1.44 1.53 3.19 7.41 0.00 0.63 -5.03 105.19 111.49 1w44 n GLY 89 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1w44 n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1w44 s PHE 90 N -3.20 1.38 -0.01 1.61 0.40 -0.20 -4.63 117.98 113.33 1w44 s PHE 90 Ca 0.00 -0.41 -0.30 0.00 -0.60 0.00 0.00 56.93 55.62 1w44 s PHE 90 Cb 0.00 -0.79 -0.08 0.00 0.51 0.00 0.00 43.02 42.67 1w44 s PHE 90 CO 0.00 0.08 1.93 1.41 0.70 0.00 0.00 175.22 179.34 1w44 s MET 91 N -1.55 4.04 -0.11 0.44 -2.45 -0.59 -1.07 119.30 118.02 1w44 s MET 91 Ca 0.01 2.45 0.00 0.00 -1.25 0.00 0.00 55.69 56.91 1w44 s MET 91 Cb -0.09 -4.15 -0.25 0.00 1.25 0.00 0.00 34.83 31.59 1w44 s MET 91 CO 0.02 -1.06 0.41 1.17 1.05 0.00 0.00 175.02 176.61 1w44 n LYS 92 N 7.59 0.71 -3.87 4.11 3.00 0.13 -4.75 118.16 125.08 1w44 n LYS 92 Ca 0.20 0.26 -0.12 0.00 -0.00 0.00 0.00 58.31 58.65 1w44 n LYS 92 Cb 0.42 -1.72 -0.13 0.00 0.00 0.00 0.00 35.03 33.60 1w44 n LYS 92 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1w44 s GLN 93 N -2.57 0.13 0.00 1.64 -0.21 -0.65 -4.94 119.66 113.06 1w44 s GLN 93 Ca -0.17 -0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.14 1w44 s GLN 93 Cb 0.07 0.05 0.00 0.00 1.00 0.00 0.00 33.01 34.14 1w44 s GLN 93 CO 0.78 -0.02 0.00 0.41 -2.12 0.00 0.00 175.29 174.34 1w44 n GLY 94 N 2.72 0.91 3.33 3.09 0.00 -0.98 -1.06 105.19 113.20 1w44 n GLY 94 Ca -0.15 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 1w44 n GLY 94 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1w44 s HIS 95 N -2.90 0.44 0.45 1.61 -3.43 -1.26 -5.02 115.29 105.17 1w44 s HIS 95 Ca 0.00 -0.80 -0.20 0.00 -0.80 0.00 0.00 55.06 53.25 1w44 s HIS 95 Cb 0.00 -0.09 -0.10 0.00 -1.43 0.00 0.00 32.58 30.96 1w44 s HIS 95 CO 0.00 -0.71 0.96 1.03 -2.00 0.00 0.00 174.74 174.02 1w44 s ARG 96 N -3.98 4.15 0.00 -0.38 0.52 -1.26 -4.62 118.95 113.38 1w44 s ARG 96 Ca 0.18 1.13 0.00 0.00 -0.52 0.00 0.00 55.73 56.52 1w44 s ARG 96 Cb 0.04 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1w44 s ARG 96 CO 0.01 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1w44 n GLY 97 N -0.68 -0.79 3.71 -3.53 0.00 0.06 -4.94 105.19 99.02 1w44 n GLY 97 Ca 0.07 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1w44 n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1w44 s TRP 98 N 0.00 3.43 -1.93 1.61 0.52 -1.26 -1.54 118.94 119.76 1w44 s TRP 98 Ca 0.00 1.31 0.26 0.00 0.02 0.00 0.00 56.10 57.69 1w44 s TRP 98 Cb 0.00 -3.40 0.58 0.00 -1.15 0.00 0.00 33.47 29.50 1w44 s TRP 98 CO 0.00 -1.21 1.46 1.28 0.02 0.00 0.00 176.95 178.50 1w44 n LEU 99 N 4.04 1.37 -4.29 2.99 4.77 0.16 -4.81 117.00 121.23 1w44 n LEU 99 Ca 0.09 -0.43 -0.25 0.00 -0.03 0.00 0.00 56.01 55.40 1w44 n LEU 99 Cb 0.47 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1w44 n LEU 99 CO 0.55 0.25 -0.52 0.68 -1.33 0.00 0.00 177.39 177.02 1w44 s VAL 100 N -2.43 1.77 -0.23 4.08 -7.23 -1.24 -4.88 120.40 110.24 1w44 s VAL 100 Ca 0.24 -1.50 -0.29 0.00 -1.81 0.00 0.00 61.98 58.62 1w44 s VAL 100 Cb 0.19 -1.59 -0.01 0.00 0.56 0.00 0.00 36.38 35.53 1w44 s VAL 100 CO 0.51 0.01 1.33 -0.62 -0.31 0.00 0.00 175.10 176.02 1w44 s ASP 101 N -1.78 6.76 0.00 4.85 2.15 -1.26 -4.89 116.67 122.50 1w44 s ASP 101 Ca 0.08 1.49 0.18 0.00 0.43 0.00 0.00 52.55 54.73 1w44 s ASP 101 Cb -0.10 -2.54 -0.20 0.00 -0.30 0.00 0.00 42.92 39.79 1w44 s ASP 101 CO 0.04 -0.96 0.78 0.18 -0.17 0.00 0.00 175.17 175.05 1w44 n LEU 102 N 7.26 0.88 -0.01 -1.34 4.77 -1.26 -4.72 117.00 122.59 1w44 n LEU 102 Ca 0.15 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1w44 n LEU 102 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1w44 n LEU 102 CO 0.60 0.22 -0.54 0.35 -1.33 0.00 0.00 177.39 176.68 1w44 n THR 103 N -1.42 0.07 0.00 -5.08 -2.24 -1.26 -4.88 114.28 99.47 1w44 n THR 103 Ca 0.04 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1w44 n THR 103 Cb 0.29 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1w44 n THR 103 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w44 n GLY 104 N 2.62 3.71 0.12 3.38 0.00 -1.26 -1.04 105.19 112.72 1w44 n GLY 104 Ca -0.02 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1w44 n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w44 n GLU 105 N 14.00 0.54 -2.98 1.61 1.02 -1.26 -4.57 120.64 129.00 1w44 n GLU 105 Ca 0.00 -0.24 -0.44 0.00 -0.02 0.00 0.00 57.16 56.46 1w44 n GLU 105 Cb 0.00 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1w44 n GLU 105 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1w44 s LEU 106 N -2.62 5.17 0.32 -4.62 2.96 -0.20 -4.96 118.68 114.72 1w44 s LEU 106 Ca 0.23 -2.94 0.10 0.00 -0.22 0.00 0.00 54.13 51.31 1w44 s LEU 106 Cb 0.19 -2.38 -0.06 0.00 0.50 0.00 0.00 46.19 44.44 1w44 s LEU 106 CO 0.53 -0.74 -0.13 0.68 -1.32 0.00 0.00 176.35 175.36 1w44 s VAL 107 N 1.46 2.33 -0.12 1.68 -7.23 -1.26 -4.72 120.40 112.54 1w44 s VAL 107 Ca 0.40 -2.28 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1w44 s VAL 107 Cb -0.04 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1w44 s VAL 107 CO -0.02 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 1w44 n GLY 108 N -0.73 0.49 3.98 2.32 0.00 -1.26 -4.92 105.19 105.07 1w44 n GLY 108 Ca -0.05 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 1w44 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w44 n SER 110 N -1.95 2.04 -4.65 0.00 7.64 -1.25 -4.85 113.62 110.60 1w44 n SER 110 Ca 0.03 -3.02 -0.49 0.00 1.01 0.00 0.00 58.87 56.41 1w44 n SER 110 Cb 0.58 -0.67 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 1w44 n SER 110 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1w44 n PRO 111 N 1.78 1.76 -1.71 1.43 -0.02 -1.26 -4.25 135.00 132.73 1w44 n PRO 111 Ca 0.25 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 1w44 n PRO 111 Cb 0.42 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 1w44 n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1w44 s VAL 112 N 1.32 2.61 -0.08 -1.45 0.11 -0.48 -1.04 120.40 121.39 1w44 s VAL 112 Ca 0.84 0.05 0.14 0.00 -2.93 0.00 0.00 61.98 60.08 1w44 s VAL 112 Cb -0.80 -3.03 -0.20 0.00 -1.53 0.00 0.00 36.38 30.82 1w44 s VAL 112 CO 0.44 -0.00 0.67 0.55 -3.33 0.00 0.00 175.10 173.43 1w44 n VAL 113 N 4.87 1.44 -3.62 2.04 3.14 0.05 -1.21 118.33 125.03 1w44 n VAL 113 Ca 0.18 -0.76 -0.03 0.00 -2.96 0.00 0.00 64.34 60.77 1w44 n VAL 113 Cb 0.39 -0.89 -0.01 0.00 -1.06 0.00 0.00 33.84 32.26 1w44 n VAL 113 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1w44 s ALA 114 N -2.71 -2.01 -0.06 1.55 0.00 -1.22 -2.86 121.76 114.46 1w44 s ALA 114 Ca -0.04 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1w44 s ALA 114 Cb 0.08 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.49 1w44 s ALA 114 CO 0.82 -0.85 -0.13 -2.00 0.00 0.00 0.00 175.76 173.60 1w44 s GLU 115 N -2.71 1.68 -0.11 0.00 2.12 -1.26 -1.25 118.70 117.18 1w44 s GLU 115 Ca 0.11 -0.44 -0.07 0.00 0.36 0.00 0.00 54.97 54.93 1w44 s GLU 115 Cb 0.01 -1.40 0.04 0.00 0.26 0.00 0.00 34.13 33.03 1w44 s GLU 115 CO -0.04 0.06 0.26 0.12 -0.54 0.00 0.00 175.26 175.13 1w44 s PHE 116 N 0.55 -0.33 -1.42 5.30 5.36 -0.05 -4.89 117.98 122.50 1w44 s PHE 116 Ca -0.13 0.78 -0.05 0.00 -0.96 0.00 0.00 56.93 56.57 1w44 s PHE 116 Cb -0.15 0.08 0.03 0.00 -0.34 0.00 0.00 43.02 42.64 1w44 s PHE 116 CO 0.03 -0.20 0.42 0.41 -1.46 0.00 0.00 175.22 174.43 1w44 n GLY 117 N 3.67 -0.51 2.13 13.12 0.00 -1.26 -1.56 105.19 120.78 1w44 n GLY 117 Ca -0.20 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1w44 n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w44 n GLY 118 N -1.26 0.64 3.29 -0.02 0.00 -1.26 -4.86 105.19 101.72 1w44 n GLY 118 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1w44 n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1w44 s HIS 119 N -2.48 1.99 0.01 1.61 3.76 -0.60 -5.12 115.29 114.45 1w44 s HIS 119 Ca 0.00 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.37 1w44 s HIS 119 Cb 0.00 -1.18 -0.06 0.00 1.11 0.00 0.00 32.58 32.45 1w44 s HIS 119 CO 0.00 0.11 0.44 1.03 -0.85 0.00 0.00 174.74 175.47 1w44 s ARG 120 N -1.24 3.98 0.00 1.40 0.52 -1.26 -0.87 118.95 121.48 1w44 s ARG 120 Ca 0.09 0.47 0.07 0.00 -0.52 0.00 0.00 55.73 55.83 1w44 s ARG 120 Cb -0.09 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 1w44 s ARG 120 CO 0.02 0.66 -0.21 0.71 0.02 0.00 0.00 175.30 176.50 1w44 s TYR 121 N -1.00 2.49 0.39 -0.53 2.02 -0.38 -4.99 117.35 115.35 1w44 s TYR 121 Ca 0.25 -0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 56.51 1w44 s TYR 121 Cb -0.17 -1.50 -0.07 0.00 -0.40 0.00 0.00 41.96 39.82 1w44 s TYR 121 CO 0.14 0.14 0.78 0.00 -1.57 0.00 0.00 175.55 175.04 1w44 s ALA 122 N -0.77 3.31 1.00 3.71 0.00 -1.26 -0.77 121.76 126.98 1w44 s ALA 122 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 1w44 s ALA 122 Cb -0.10 -2.77 0.05 0.00 0.00 0.00 0.00 23.12 20.30 1w44 s ALA 122 CO 0.02 0.06 0.28 -1.13 0.00 0.00 0.00 175.76 174.99 1w44 n SER 123 N -1.07 -0.09 0.00 0.00 3.41 -0.20 -4.56 113.62 111.10 1w44 n SER 123 Ca 0.03 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 1w44 n SER 123 Cb 0.54 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1w44 n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w44 n GLY 124 N 2.95 -1.71 3.71 5.00 0.00 0.30 -4.73 105.19 110.71 1w44 n GLY 124 Ca 0.04 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 1w44 n GLY 124 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1w44 s MET 125 N 0.00 3.55 -0.18 1.61 -2.45 -1.26 -1.02 119.30 119.55 1w44 s MET 125 Ca 0.00 -0.31 -0.01 0.00 -1.25 0.00 0.00 55.69 54.13 1w44 s MET 125 Cb 0.00 -3.09 0.00 0.00 1.25 0.00 0.00 34.83 33.00 1w44 s MET 125 CO 0.00 0.53 -0.14 0.08 1.05 0.00 0.00 175.02 176.54 1w44 s VAL 126 N -0.36 2.66 -0.21 10.11 1.01 0.56 -0.17 120.40 134.01 1w44 s VAL 126 Ca 0.09 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1w44 s VAL 126 Cb -0.12 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1w44 s VAL 126 CO 0.02 0.50 0.11 -0.63 0.00 0.00 0.00 175.10 175.09 1w44 s ILE 127 N 1.16 5.09 -0.30 2.22 1.01 -0.75 -1.38 121.20 128.26 1w44 s ILE 127 Ca 0.01 0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 1w44 s ILE 127 Cb -0.14 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 1w44 s ILE 127 CO -0.05 0.41 0.14 -0.69 0.00 0.00 0.00 174.94 174.74 1w44 s VAL 128 N 0.65 4.51 0.00 2.92 1.01 -0.04 -0.32 120.40 129.13 1w44 s VAL 128 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1w44 s VAL 128 Cb -0.13 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1w44 s VAL 128 CO 0.01 0.10 0.00 1.07 0.00 0.00 0.00 175.10 176.28 1w44 n THR 129 N 4.96 0.00 0.00 3.92 5.66 0.06 -1.28 114.28 127.60 1w44 n THR 129 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1w44 n THR 129 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1w44 n THR 129 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1w44 n GLY 130 N 0.00 2.19 3.82 1.09 0.00 -1.26 -1.79 105.19 109.23 1w44 n GLY 130 Ca 0.00 -2.19 -0.23 0.00 0.00 0.00 0.00 46.02 43.61 1w44 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w44 s LYS 131 N -1.78 2.39 0.00 1.61 1.02 -1.26 -4.45 119.74 117.27 1w44 s LYS 131 Ca 0.00 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.31 1w44 s LYS 131 Cb 0.00 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1w44 s LYS 131 CO 0.00 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 1w44 n GLY 132 N -1.41 -0.35 0.09 -3.33 0.00 -1.26 -4.67 105.19 94.26 1w44 n GLY 132 Ca 0.01 -2.24 -0.00 0.00 0.00 0.00 0.00 46.02 43.79 1w44 n GLY 132 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1w44 n ASN 133 N 0.00 0.86 -4.69 1.61 3.02 -1.26 -4.89 115.26 109.91 1w44 n ASN 133 Ca 0.00 0.38 -0.51 0.00 -0.03 0.00 0.00 54.58 54.42 1w44 n ASN 133 Cb 0.00 0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.27 1w44 n ASN 133 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1w44 n SER 134 N -2.89 3.07 -4.73 6.41 7.64 -1.26 -4.87 113.62 116.98 1w44 n SER 134 Ca -0.10 1.01 -0.41 0.00 1.01 0.00 0.00 58.87 60.38 1w44 n SER 134 Cb 0.85 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 1w44 n SER 134 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1w44 s GLY 135 N 3.79 2.54 -0.05 0.23 0.00 -1.26 -4.98 107.32 107.59 1w44 s GLY 135 Ca 0.94 0.93 -0.22 0.00 0.00 0.00 0.00 44.72 46.38 1w44 s GLY 135 CO 0.56 1.94 0.88 0.50 0.00 0.00 0.00 173.10 176.99 1w44 h LYS 136 N 5.81 0.29 -0.44 2.90 1.57 -1.95 -3.26 116.57 121.49 1w44 h LYS 136 Ca -0.43 -0.50 0.07 0.00 -1.87 0.00 0.00 60.65 57.91 1w44 h LYS 136 Cb 1.21 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 33.65 1w44 h LYS 136 CO 0.77 1.24 0.09 1.15 -0.57 0.00 0.00 179.45 182.13 1w44 h THR 137 N -0.38 0.76 -0.31 -0.16 2.02 -1.97 0.56 112.91 113.43 1w44 h THR 137 Ca -0.14 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1w44 h THR 137 Cb 1.64 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1w44 h THR 137 CO 0.15 0.04 0.09 -0.65 0.37 0.00 0.00 175.52 175.51 1w44 h PRO 138 N 0.22 0.44 -0.20 6.66 0.11 -1.90 -2.55 132.00 134.78 1w44 h PRO 138 Ca 0.22 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 66.09 1w44 h PRO 138 Cb 0.28 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1w44 h PRO 138 CO -0.29 0.41 -0.58 1.25 -0.21 0.00 0.00 178.00 178.58 1w44 h LEU 139 N 0.44 0.85 -1.19 2.35 7.12 -1.24 -2.14 115.31 121.49 1w44 h LEU 139 Ca 0.11 -0.58 -0.03 0.00 0.13 0.00 0.00 57.88 57.50 1w44 h LEU 139 Cb 0.16 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.01 1w44 h LEU 139 CO -0.01 1.28 0.22 -0.37 -0.13 0.00 0.00 178.44 179.43 1w44 h VAL 140 N 0.46 1.20 -0.12 1.05 -1.51 -0.55 -1.37 116.25 115.40 1w44 h VAL 140 Ca -0.02 -0.61 -0.14 0.00 -1.23 0.00 0.00 66.70 64.70 1w44 h VAL 140 Cb 1.20 0.55 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 1w44 h VAL 140 CO 0.12 0.24 -0.55 0.45 -1.23 0.00 0.00 177.57 176.61 1w44 h HIS 141 N 0.77 0.46 -0.44 5.19 3.86 -1.45 -1.44 115.15 122.10 1w44 h HIS 141 Ca 0.19 -0.16 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 1w44 h HIS 141 Cb 0.15 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1w44 h HIS 141 CO 0.01 0.83 -0.15 0.00 0.86 0.00 0.00 177.93 179.49 1w44 h ALA 142 N 1.13 0.91 -0.35 2.45 0.00 -0.66 -1.88 119.26 120.87 1w44 h ALA 142 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1w44 h ALA 142 Cb 1.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1w44 h ALA 142 CO 0.09 0.62 -0.37 -0.07 0.00 0.00 0.00 179.25 179.53 1w44 h LEU 143 N 0.74 0.87 -0.02 0.00 3.38 -1.19 -0.44 115.31 118.64 1w44 h LEU 143 Ca 0.12 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1w44 h LEU 143 Cb 0.65 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1w44 h LEU 143 CO 0.05 1.14 -0.02 1.23 0.09 0.00 0.00 178.44 180.92 1w44 h GLY 144 N 0.89 -0.00 0.94 0.83 0.00 -1.12 0.12 103.07 104.72 1w44 h GLY 144 Ca 0.06 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1w44 h GLY 144 CO 0.09 -0.03 0.14 -2.09 0.00 0.00 0.00 176.54 174.65 1w44 h GLU 145 N -0.03 0.61 -0.25 4.80 4.22 -1.27 0.45 114.58 123.11 1w44 h GLU 145 Ca 0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 59.36 59.32 1w44 h GLU 145 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1w44 h GLU 145 CO -0.04 0.60 0.09 0.00 -2.18 0.00 0.00 179.01 177.47 1w44 h ALA 146 N 0.99 0.32 0.00 2.92 0.00 -0.88 -1.93 119.26 120.68 1w44 h ALA 146 Ca 0.13 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1w44 h ALA 146 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1w44 h ALA 146 CO -0.01 -0.07 -0.41 -0.07 0.00 0.00 0.00 179.25 178.69 1w44 h LEU 147 N 0.24 0.00 -0.70 0.00 3.38 -0.78 -2.83 115.31 114.61 1w44 h LEU 147 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1w44 h LEU 147 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1w44 h LEU 147 CO -0.00 0.41 0.44 1.23 0.09 0.00 0.00 178.44 180.60 1w44 h GLY 148 N 2.61 1.00 0.00 0.83 0.00 -0.56 -3.45 103.07 103.49 1w44 h GLY 148 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1w44 h GLY 148 CO 0.05 0.39 0.00 0.61 0.00 0.00 0.00 176.54 177.59 1w44 n GLY 149 N -1.21 1.16 0.06 4.60 0.00 -0.76 -1.45 105.19 107.59 1w44 n GLY 149 Ca 0.06 0.34 0.13 0.00 0.00 0.00 0.00 46.02 46.55 1w44 n GLY 149 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1w44 n LYS 150 N 0.00 0.18 -4.12 1.61 5.02 -1.26 -4.87 118.16 114.72 1w44 n LYS 150 Ca 0.00 0.11 -0.28 0.00 -2.02 0.00 0.00 58.31 56.13 1w44 n LYS 150 Cb 0.00 -1.68 -0.07 0.00 -0.02 0.00 0.00 35.03 33.27 1w44 n LYS 150 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1w44 s ASP 151 N -3.95 5.21 0.56 4.39 -0.00 -0.53 -5.11 116.67 117.24 1w44 s ASP 151 Ca 0.11 -0.20 -0.18 0.00 -0.00 0.00 0.00 52.55 52.28 1w44 s ASP 151 Cb 0.15 -1.28 -0.05 0.00 -0.00 0.00 0.00 42.92 41.74 1w44 s ASP 151 CO 0.62 0.11 1.07 -0.54 -0.00 0.00 0.00 175.17 176.43 1w44 s LYS 152 N -2.80 3.39 0.13 8.23 1.02 -1.26 -4.51 119.74 123.93 1w44 s LYS 152 Ca 0.29 1.35 0.04 0.00 0.02 0.00 0.00 55.97 57.66 1w44 s LYS 152 Cb -0.10 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1w44 s LYS 152 CO 0.21 -0.77 0.15 1.52 -0.92 0.00 0.00 175.35 175.54 1w44 s TYR 153 N -2.18 3.25 0.00 3.18 1.13 -1.26 -4.76 117.35 116.70 1w44 s TYR 153 Ca 0.67 0.06 -0.16 0.00 -1.41 0.00 0.00 57.07 56.23 1w44 s TYR 153 Cb -0.18 -1.59 -0.06 0.00 -1.10 0.00 0.00 41.96 39.03 1w44 s TYR 153 CO 0.31 0.53 0.44 0.00 -2.51 0.00 0.00 175.55 174.31 1w44 s ALA 154 N -1.62 3.67 -0.17 9.51 0.00 -0.39 -4.98 121.76 127.78 1w44 s ALA 154 Ca 0.31 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.10 1w44 s ALA 154 Cb -0.11 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.58 1w44 s ALA 154 CO 0.24 0.43 -0.18 0.99 0.00 0.00 0.00 175.76 177.25 1w44 s THR 155 N -0.95 2.33 -0.23 0.00 2.01 -1.26 -0.01 115.64 117.52 1w44 s THR 155 Ca 0.25 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.31 1w44 s THR 155 Cb -0.17 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1w44 s THR 155 CO 0.14 0.52 0.08 -0.69 -0.69 0.00 0.00 174.62 173.98 1w44 s VAL 156 N 1.16 4.58 -0.13 3.82 1.01 0.46 -4.97 120.40 126.33 1w44 s VAL 156 Ca 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1w44 s VAL 156 Cb -0.14 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1w44 s VAL 156 CO -0.08 0.37 -0.07 -0.13 0.00 0.00 0.00 175.10 175.20 1w44 s ARG 157 N 1.21 3.37 -0.21 2.72 0.52 -1.26 -0.49 118.95 124.80 1w44 s ARG 157 Ca 0.05 -0.56 -0.15 0.00 -0.52 0.00 0.00 55.73 54.55 1w44 s ARG 157 Cb -0.14 -2.77 0.06 0.00 0.52 0.00 0.00 34.95 32.62 1w44 s ARG 157 CO 0.04 0.35 0.54 0.12 0.02 0.00 0.00 175.30 176.37 1w44 s PHE 158 N 0.04 -0.72 -1.19 -0.53 5.36 -0.70 -4.11 117.98 116.13 1w44 s PHE 158 Ca -0.01 1.58 -0.07 0.00 -0.96 0.00 0.00 56.93 57.47 1w44 s PHE 158 Cb -0.14 0.34 0.01 0.00 -0.34 0.00 0.00 43.02 42.89 1w44 s PHE 158 CO 0.03 -0.37 0.95 0.41 -1.46 0.00 0.00 175.22 174.78 1w44 n GLY 159 N 3.67 -0.33 3.30 13.12 0.00 -0.51 -4.27 105.19 120.18 1w44 n GLY 159 Ca -0.18 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1w44 n GLY 159 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w44 s GLU 160 N -6.04 1.68 -1.55 1.61 0.41 -1.26 -4.75 118.70 108.79 1w44 s GLU 160 Ca 0.47 -1.01 -0.11 0.00 -0.41 0.00 0.00 54.97 53.91 1w44 s GLU 160 Cb -0.21 -1.80 -0.03 0.00 -1.78 0.00 0.00 34.13 30.31 1w44 s GLU 160 CO 0.58 0.47 2.67 -0.35 -0.49 0.00 0.00 175.26 178.14 1w44 n PRO 161 N 1.91 3.47 -4.25 0.39 -0.04 -1.26 -4.75 135.00 130.47 1w44 n PRO 161 Ca -0.17 -2.42 -0.14 0.00 -0.04 0.00 0.00 63.50 60.73 1w44 n PRO 161 Cb 0.52 -2.96 -0.10 0.00 -0.04 0.00 0.00 33.50 30.93 1w44 n PRO 161 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w44 s LEU 162 N 0.72 2.10 0.38 1.53 1.43 -1.26 -5.12 118.68 118.46 1w44 s LEU 162 Ca 0.61 -1.18 -0.28 0.00 -1.03 0.00 0.00 54.13 52.25 1w44 s LEU 162 Cb 0.17 -0.06 -0.11 0.00 0.03 0.00 0.00 46.19 46.21 1w44 s LEU 162 CO -0.07 -0.57 1.48 -0.94 0.23 0.00 0.00 176.35 176.48 1w44 s SER 163 N -3.19 6.29 0.00 2.29 1.04 -1.26 -2.77 113.70 116.10 1w44 s SER 163 Ca 0.25 3.03 0.00 0.00 0.48 0.00 0.00 55.95 59.71 1w44 s SER 163 Cb 0.06 -2.67 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1w44 s SER 163 CO 0.05 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1w44 n GLY 164 N 0.48 0.30 3.68 7.32 0.00 -1.26 -4.97 105.19 110.73 1w44 n GLY 164 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1w44 n GLY 164 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w44 s TYR 165 N -1.78 3.45 0.41 1.61 2.02 -1.12 -5.03 117.35 116.91 1w44 s TYR 165 Ca 0.00 1.38 -0.25 0.00 -0.37 0.00 0.00 57.07 57.83 1w44 s TYR 165 Cb 0.00 -3.09 -0.08 0.00 -0.40 0.00 0.00 41.96 38.39 1w44 s TYR 165 CO 0.00 -0.25 1.20 1.21 -1.57 0.00 0.00 175.55 176.15 1w44 s ASN 166 N 1.13 6.41 0.00 2.29 2.47 -1.26 -4.83 114.94 121.15 1w44 s ASN 166 Ca 0.42 2.42 0.00 0.00 0.42 0.00 0.00 52.86 56.12 1w44 s ASN 166 Cb -0.17 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.01 1w44 s ASN 166 CO 0.14 -0.76 0.71 0.35 -3.72 0.00 0.00 177.10 173.82 1w44 n THR 167 N 0.00 0.48 -3.29 -5.21 -2.24 -1.26 -1.42 114.28 101.34 1w44 n THR 167 Ca 0.05 -0.52 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 1w44 n THR 167 Cb 0.46 0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 69.43 1w44 n THR 167 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1w44 s ASP 168 N -0.48 6.27 0.37 3.42 -1.08 -1.26 -4.86 116.67 119.05 1w44 s ASP 168 Ca 0.00 -0.08 0.11 0.00 -0.52 0.00 0.00 52.55 52.06 1w44 s ASP 168 Cb 0.00 -2.24 0.89 0.00 -1.46 0.00 0.00 42.92 40.11 1w44 s ASP 168 CO 0.00 -0.43 1.85 0.15 0.52 0.00 0.00 175.17 177.26 1w44 h PHE 169 N 8.45 0.77 0.00 -5.34 3.57 -1.99 -1.43 116.94 120.97 1w44 h PHE 169 Ca -0.28 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.16 1w44 h PHE 169 Cb 1.13 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1w44 h PHE 169 CO 0.71 0.23 -0.36 -0.91 -2.23 0.00 0.00 178.31 175.76 1w44 h ASN 170 N 0.61 0.00 0.61 0.41 2.35 -1.95 -1.58 115.58 116.02 1w44 h ASN 170 Ca 0.48 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 56.01 1w44 h ASN 170 Cb 0.91 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 1w44 h ASN 170 CO -0.23 0.36 -0.97 0.58 -1.65 0.00 0.00 177.43 175.52 1w44 h VAL 171 N 0.00 1.51 -0.18 2.81 2.07 -1.71 -3.14 116.25 117.61 1w44 h VAL 171 Ca -0.00 -2.78 -0.00 0.00 0.82 0.00 0.00 66.70 64.74 1w44 h VAL 171 Cb 0.84 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1w44 h VAL 171 CO 0.05 0.81 0.11 0.15 0.02 0.00 0.00 177.57 178.71 1w44 h PHE 172 N 0.10 0.24 0.00 1.57 3.57 -0.80 -1.33 116.94 120.29 1w44 h PHE 172 Ca -0.06 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 1w44 h PHE 172 Cb 1.64 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 1w44 h PHE 172 CO 0.04 0.20 -0.19 -0.39 -2.23 0.00 0.00 178.31 175.74 1w44 h VAL 173 N 0.21 0.49 -0.24 1.41 -1.51 -1.38 -0.95 116.25 114.28 1w44 h VAL 173 Ca 0.07 -0.97 -0.14 0.00 -1.23 0.00 0.00 66.70 64.43 1w44 h VAL 173 Cb 0.03 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1w44 h VAL 173 CO -0.01 0.18 -0.38 -0.78 -1.23 0.00 0.00 177.57 175.35 1w44 h ASP 174 N 0.00 0.76 -0.45 4.19 1.82 -1.40 -1.49 116.42 119.85 1w44 h ASP 174 Ca -0.00 -0.52 -0.03 0.00 -0.39 0.00 0.00 57.03 56.09 1w44 h ASP 174 Cb 0.66 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 1w44 h ASP 174 CO 0.02 1.13 0.16 0.44 -1.61 0.00 0.00 179.24 179.38 1w44 h ASP 175 N 0.41 0.63 -0.47 2.28 3.32 -0.84 -2.00 116.42 119.75 1w44 h ASP 175 Ca 0.02 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1w44 h ASP 175 Cb 0.97 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1w44 h ASP 175 CO 0.09 0.65 0.22 0.40 -1.72 0.00 0.00 179.24 178.88 1w44 h ILE 176 N 0.58 1.19 -0.14 0.35 2.04 -1.14 -0.97 117.51 119.43 1w44 h ILE 176 Ca 0.15 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1w44 h ILE 176 Cb 0.23 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1w44 h ILE 176 CO -0.01 0.22 0.07 0.00 0.00 0.00 0.00 178.15 178.43 1w44 h ALA 177 N 1.06 0.18 -0.69 1.87 0.00 -1.14 -1.72 119.26 118.82 1w44 h ALA 177 Ca 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1w44 h ALA 177 Cb 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1w44 h ALA 177 CO -0.02 -0.26 0.34 -0.09 0.00 0.00 0.00 179.25 179.22 1w44 h ARG 178 N 0.10 0.98 -0.55 0.00 2.43 -1.30 -1.78 114.38 114.27 1w44 h ARG 178 Ca 0.05 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1w44 h ARG 178 Cb 0.12 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1w44 h ARG 178 CO -0.01 0.75 0.12 0.00 -1.51 0.00 0.00 179.97 179.32 1w44 h ALA 179 N 1.40 0.72 0.00 2.80 0.00 -0.87 -2.35 119.26 120.96 1w44 h ALA 179 Ca 0.24 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1w44 h ALA 179 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1w44 h ALA 179 CO -0.03 0.43 -0.47 0.52 0.00 0.00 0.00 179.25 179.71 1w44 h MET 180 N 0.78 0.00 0.00 0.00 2.86 -1.05 0.53 114.93 118.05 1w44 h MET 180 Ca 0.17 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 1w44 h MET 180 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1w44 h MET 180 CO 0.00 0.47 -0.33 -0.07 1.06 0.00 0.00 176.91 178.04 1w44 h LEU 181 N 0.00 0.00 0.00 1.22 3.38 -1.11 -3.38 115.31 115.43 1w44 h LEU 181 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1w44 h LEU 181 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1w44 h LEU 181 CO 0.06 0.33 -0.21 0.00 0.09 0.00 0.00 178.44 178.71 1w44 n GLN 182 N -3.39 5.59 -4.05 1.13 6.02 -0.90 -5.00 117.38 116.77 1w44 n GLN 182 Ca 0.01 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.87 1w44 n GLN 182 Cb 0.53 -0.62 -0.12 0.00 1.02 0.00 0.00 30.24 31.05 1w44 n GLN 182 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1w44 s HIS 183 N -1.24 0.49 0.08 1.08 3.76 0.16 -5.05 115.29 114.57 1w44 s HIS 183 Ca 0.00 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.58 1w44 s HIS 183 Cb 0.01 -0.30 -0.23 0.00 1.11 0.00 0.00 32.58 33.16 1w44 s HIS 183 CO 0.03 -0.08 1.14 -0.09 -0.85 0.00 0.00 174.74 174.89 1w44 h ARG 184 N 4.99 0.08 -4.92 1.40 2.43 -1.91 -3.42 114.38 113.03 1w44 h ARG 184 Ca -0.32 -0.13 -0.64 0.00 -0.81 0.00 0.00 59.98 58.08 1w44 h ARG 184 Cb 1.20 0.05 -0.35 0.00 -0.42 0.00 0.00 29.97 30.45 1w44 h ARG 184 CO 0.44 0.99 -0.85 0.08 -1.51 0.00 0.00 179.97 179.12 1w44 s VAL 185 N -2.68 1.82 -0.03 0.20 1.01 -1.26 -0.43 120.40 119.03 1w44 s VAL 185 Ca -0.02 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1w44 s VAL 185 Cb 0.09 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 1w44 s VAL 185 CO 0.84 0.50 -0.13 -0.63 0.00 0.00 0.00 175.10 175.67 1w44 s ILE 186 N 1.18 1.13 -0.11 2.22 1.01 0.09 -1.26 121.20 125.46 1w44 s ILE 186 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.11 1w44 s ILE 186 Cb -0.14 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1w44 s ILE 186 CO -0.08 0.33 -0.13 -0.69 0.00 0.00 0.00 174.94 174.38 1w44 s VAL 187 N 0.08 3.09 -0.21 2.92 1.01 0.98 0.22 120.40 128.49 1w44 s VAL 187 Ca -0.03 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1w44 s VAL 187 Cb -0.10 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 1w44 s VAL 187 CO 0.01 0.54 -0.04 -0.63 0.00 0.00 0.00 175.10 174.98 1w44 s ILE 188 N 0.03 3.45 -0.49 2.22 1.01 0.18 -0.41 121.20 127.20 1w44 s ILE 188 Ca -0.04 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1w44 s ILE 188 Cb -0.14 -2.56 0.12 0.00 0.01 0.00 0.00 42.46 39.89 1w44 s ILE 188 CO 0.04 0.43 0.39 -0.62 0.00 0.00 0.00 174.94 175.19 1w44 s ASP 189 N 1.30 5.87 0.00 3.58 -1.08 0.36 -3.30 116.67 123.40 1w44 s ASP 189 Ca 0.04 -1.83 0.00 0.00 -0.52 0.00 0.00 52.55 50.24 1w44 s ASP 189 Cb -0.14 -2.08 0.00 0.00 -1.46 0.00 0.00 42.92 39.24 1w44 s ASP 189 CO -0.02 -0.74 0.00 -0.24 0.52 0.00 0.00 175.17 174.70 1w44 n SER 190 N 5.03 -0.74 -0.14 -0.34 2.88 -1.26 -1.72 113.62 117.33 1w44 n SER 190 Ca -0.10 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.57 1w44 n SER 190 Cb 0.41 -0.37 0.41 0.00 -0.75 0.00 0.00 64.21 63.91 1w44 n SER 190 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1w44 n LEU 191 N 0.00 0.72 -0.30 2.46 7.94 -1.04 -4.23 117.00 122.56 1w44 n LEU 191 Ca 0.00 -0.10 0.23 0.00 -1.11 0.00 0.00 56.01 55.03 1w44 n LEU 191 Cb 0.00 -0.19 0.53 0.00 0.53 0.00 0.00 43.42 44.29 1w44 n LEU 191 CO 0.00 0.14 1.23 0.11 -1.11 0.00 0.00 177.39 177.76 1w44 h LYS 192 N 0.71 0.35 0.00 1.96 1.57 -1.91 -1.43 116.57 117.82 1w44 h LYS 192 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1w44 h LYS 192 Cb 0.47 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1w44 h LYS 192 CO 0.00 0.23 -0.34 0.09 -0.57 0.00 0.00 179.45 178.87 1w44 n ASN 193 N -4.55 0.62 0.06 0.86 4.13 -1.26 -3.27 115.26 111.84 1w44 n ASN 193 Ca 0.24 0.26 -0.05 0.00 1.68 0.00 0.00 54.58 56.70 1w44 n ASN 193 Cb 0.86 -0.21 -0.10 0.00 -1.54 0.00 0.00 39.78 38.79 1w44 n ASN 193 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1w44 h VAL 194 N 0.00 1.44 -1.78 2.41 -1.51 -1.55 -3.51 116.25 111.75 1w44 h VAL 194 Ca 0.00 -3.11 -0.63 0.00 -1.23 0.00 0.00 66.70 61.73 1w44 h VAL 194 Cb 0.68 2.70 -0.13 0.00 -2.13 0.00 0.00 31.29 32.41 1w44 h VAL 194 CO 0.00 0.82 1.16 -0.63 -1.23 0.00 0.00 177.57 177.69 1w44 s ILE 195 N -2.74 4.22 -0.29 7.19 -1.09 -1.10 -4.84 121.20 122.54 1w44 s ILE 195 Ca 0.01 -0.93 -0.20 0.00 -2.23 0.00 0.00 60.65 57.30 1w44 s ILE 195 Cb 0.09 -4.92 0.17 0.00 -1.58 0.00 0.00 42.46 36.22 1w44 s ILE 195 CO 0.81 -1.75 1.18 -0.63 -1.23 0.00 0.00 174.94 173.33 1w44 s ILE 207 N 4.16 0.00 0.78 2.92 1.01 -1.26 -5.06 121.20 123.75 1w44 s ILE 207 Ca 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.93 1w44 s ILE 207 Cb -0.04 -1.00 0.06 0.00 0.01 0.00 0.00 42.46 41.49 1w44 s ILE 207 CO -0.06 0.00 1.08 -0.94 0.00 0.00 0.00 174.94 175.02 1w44 s SER 208 N 0.76 4.57 0.18 3.58 1.04 -1.26 -4.84 113.70 117.73 1w44 s SER 208 Ca -0.03 1.58 -0.13 0.00 0.48 0.00 0.00 55.95 57.85 1w44 s SER 208 Cb -0.04 -2.34 0.15 0.00 0.10 0.00 0.00 66.02 63.90 1w44 s SER 208 CO -0.12 -1.96 1.77 -0.09 0.98 0.00 0.00 173.24 173.82 1w44 h ARG 209 N -1.07 0.41 -0.48 4.02 2.43 -1.86 -1.24 114.38 116.58 1w44 h ARG 209 Ca -0.45 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.75 1w44 h ARG 209 Cb 1.24 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.65 1w44 h ARG 209 CO 0.55 0.27 0.18 0.78 -1.51 0.00 0.00 179.97 180.24 1w44 h GLY 210 N 0.42 0.64 0.99 2.80 0.00 -1.21 0.61 103.07 107.32 1w44 h GLY 210 Ca 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1w44 h GLY 210 CO -0.20 0.02 0.28 0.00 0.00 0.00 0.00 176.54 176.65 1w44 h ALA 211 N 1.31 0.76 -0.56 3.60 0.00 -1.69 0.14 119.26 122.83 1w44 h ALA 211 Ca 0.23 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1w44 h ALA 211 Cb 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1w44 h ALA 211 CO -0.22 0.33 0.11 0.35 0.00 0.00 0.00 179.25 179.81 1w44 h PHE 212 N 0.81 0.97 -0.52 0.00 3.57 -0.86 -2.33 116.94 118.57 1w44 h PHE 212 Ca 0.20 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1w44 h PHE 212 Cb 0.13 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 1w44 h PHE 212 CO 0.00 0.85 0.34 -0.44 -2.23 0.00 0.00 178.31 176.83 1w44 h ASP 213 N 0.81 0.61 -0.20 0.41 3.32 -0.49 -2.51 116.42 118.36 1w44 h ASP 213 Ca 0.17 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.23 1w44 h ASP 213 Cb 0.39 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1w44 h ASP 213 CO 0.01 0.46 -0.00 0.25 -1.72 0.00 0.00 179.24 178.23 1w44 h LEU 214 N 0.71 -0.08 -1.23 1.55 5.85 -0.59 0.22 115.31 121.74 1w44 h LEU 214 Ca 0.19 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 1w44 h LEU 214 Cb -0.06 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1w44 h LEU 214 CO -0.04 -0.01 0.13 -0.07 -0.34 0.00 0.00 178.44 178.11 1w44 h LEU 215 N 0.07 0.61 0.00 2.25 -0.00 -1.37 -0.68 115.31 116.18 1w44 h LEU 215 Ca 0.10 -0.09 -0.11 0.00 -0.00 0.00 0.00 57.88 57.79 1w44 h LEU 215 Cb 0.12 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.61 1w44 h LEU 215 CO -0.16 0.59 -0.54 0.77 -0.00 0.00 0.00 178.44 179.10 1w44 h SER 216 N 0.65 0.00 0.04 -0.43 4.64 -0.96 -3.40 113.55 114.09 1w44 h SER 216 Ca 0.15 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.09 1w44 h SER 216 Cb 0.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.24 1w44 h SER 216 CO -0.01 0.49 -2.33 0.47 -0.87 0.00 0.00 176.83 174.59 1w44 n ASP 217 N -3.20 1.96 -0.30 4.97 8.00 0.72 -4.68 116.55 124.02 1w44 n ASP 217 Ca 0.01 -0.03 0.08 0.00 0.71 0.00 0.00 54.79 55.57 1w44 n ASP 217 Cb 0.74 -0.51 0.24 0.00 -0.02 0.00 0.00 41.12 41.57 1w44 n ASP 217 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1w44 h ILE 218 N 0.02 0.69 -0.26 0.53 2.10 -1.34 -1.70 117.51 117.54 1w44 h ILE 218 Ca -0.53 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.21 1w44 h ILE 218 Cb 1.95 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.72 1w44 h ILE 218 CO -0.03 0.11 0.17 1.23 -1.08 0.00 0.00 178.15 178.54 1w44 h GLY 219 N 0.58 0.38 0.95 8.18 0.00 -1.83 -1.05 103.07 110.28 1w44 h GLY 219 Ca 0.48 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.57 1w44 h GLY 219 CO -0.39 0.14 -0.17 0.00 0.00 0.00 0.00 176.54 176.13 1w44 h ALA 220 N 1.09 0.47 -0.36 3.60 0.00 -1.77 -1.30 119.26 120.99 1w44 h ALA 220 Ca 0.10 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1w44 h ALA 220 Cb -0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1w44 h ALA 220 CO -0.02 0.39 -0.05 0.52 0.00 0.00 0.00 179.25 180.09 1w44 h MET 221 N 0.47 0.04 -0.26 0.00 2.07 -1.10 0.72 114.93 116.88 1w44 h MET 221 Ca 0.07 -0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.64 1w44 h MET 221 Cb 0.70 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.41 1w44 h MET 221 CO 0.05 0.03 -0.09 0.00 1.07 0.00 0.00 176.91 177.97 1w44 h ALA 222 N 1.34 0.36 -0.29 6.32 0.00 -1.10 -2.34 119.26 123.54 1w44 h ALA 222 Ca 0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1w44 h ALA 222 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1w44 h ALA 222 CO -0.34 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.10 1w44 h ALA 223 N 0.75 1.47 -0.26 0.00 0.00 -1.08 0.29 119.26 120.43 1w44 h ALA 223 Ca 0.06 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1w44 h ALA 223 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1w44 h ALA 223 CO 0.03 0.38 -0.36 0.77 0.00 0.00 0.00 179.25 180.07 1w44 h SER 224 N 0.43 0.61 1.47 0.00 0.02 -0.69 -2.95 113.55 112.44 1w44 h SER 224 Ca 0.10 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.71 1w44 h SER 224 Cb 0.28 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1w44 h SER 224 CO 0.01 0.92 -0.40 -0.09 -1.14 0.00 0.00 176.83 176.13 1w44 h ARG 225 N 0.49 0.00 0.00 3.45 9.65 -0.77 -3.45 114.38 123.75 1w44 h ARG 225 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1w44 h ARG 225 Cb 0.85 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 1w44 h ARG 225 CO 0.07 0.40 0.00 0.41 2.80 0.00 0.00 179.97 183.65 1w44 n GLY 226 N 1.05 0.69 3.99 2.80 0.00 0.95 -3.88 105.19 110.79 1w44 n GLY 226 Ca 0.02 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 1w44 n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w44 s VAL 228 N -2.18 2.34 -0.22 0.00 0.11 0.43 -0.54 120.40 120.34 1w44 s VAL 228 Ca 0.44 -0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 58.51 1w44 s VAL 228 Cb -0.10 -1.87 0.02 0.00 -1.53 0.00 0.00 36.38 32.90 1w44 s VAL 228 CO 0.31 0.57 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.86 1w44 s VAL 229 N -0.31 2.65 -0.36 2.04 1.01 -0.19 -0.73 120.40 124.51 1w44 s VAL 229 Ca 0.01 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 1w44 s VAL 229 Cb -0.13 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1w44 s VAL 229 CO 0.02 0.35 0.19 -0.63 0.00 0.00 0.00 175.10 175.03 1w44 s ILE 230 N 1.33 4.46 -0.04 2.22 1.01 0.13 -0.32 121.20 129.99 1w44 s ILE 230 Ca 0.02 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.87 1w44 s ILE 230 Cb -0.15 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 1w44 s ILE 230 CO -0.07 -0.20 -0.22 0.00 0.00 0.00 0.00 174.94 174.45 1w44 s ALA 231 N 1.54 1.85 0.16 9.38 0.00 -0.48 0.50 121.76 134.71 1w44 s ALA 231 Ca 0.02 -0.91 -0.19 0.00 0.00 0.00 0.00 51.96 50.88 1w44 s ALA 231 Cb -0.19 -0.54 -0.08 0.00 0.00 0.00 0.00 23.12 22.31 1w44 s ALA 231 CO 0.06 0.39 0.66 -1.54 0.00 0.00 0.00 175.76 175.33 1w44 s SER 232 N -0.25 7.06 -0.16 0.00 1.04 -1.21 -0.86 113.70 119.32 1w44 s SER 232 Ca 0.01 1.34 -0.04 0.00 0.48 0.00 0.00 55.95 57.74 1w44 s SER 232 Cb -0.11 -2.39 0.07 0.00 0.10 0.00 0.00 66.02 63.69 1w44 s SER 232 CO 0.01 0.13 0.16 -0.22 0.98 0.00 0.00 173.24 174.31 1w44 s LEU 233 N -1.64 0.05 -0.31 2.42 2.96 -0.41 -2.48 118.68 119.28 1w44 s LEU 233 Ca 0.37 -0.23 -0.23 0.00 -0.22 0.00 0.00 54.13 53.82 1w44 s LEU 233 Cb -0.18 0.14 0.00 0.00 0.50 0.00 0.00 46.19 46.65 1w44 s LEU 233 CO 0.21 -0.32 0.77 0.20 -1.32 0.00 0.00 176.35 175.89 1w44 s ASN 234 N 2.25 6.64 0.26 3.68 -0.87 -1.26 -4.35 114.94 121.29 1w44 s ASN 234 Ca 0.04 0.61 0.08 0.00 -1.57 0.00 0.00 52.86 52.02 1w44 s ASN 234 Cb -0.15 -2.40 0.32 0.00 -0.02 0.00 0.00 41.25 39.00 1w44 s ASN 234 CO -0.09 -0.61 1.59 -0.65 -2.57 0.00 0.00 177.10 174.77 1w44 h PRO 235 N 8.16 0.10 -5.17 -0.60 0.11 -1.95 -3.44 132.00 129.21 1w44 h PRO 235 Ca -0.25 -0.07 -0.44 0.00 0.11 0.00 0.00 66.00 65.35 1w44 h PRO 235 Cb 1.10 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1w44 h PRO 235 CO 0.88 0.68 1.66 0.25 -0.21 0.00 0.00 178.00 181.26 1w44 n THR 236 N -3.84 -0.02 0.00 -1.15 -2.24 -1.26 -4.64 114.28 101.13 1w44 n THR 236 Ca -0.02 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1w44 n THR 236 Cb 0.61 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1w44 n THR 236 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1w44 n SER 237 N 11.65 0.00 -3.60 3.42 2.88 -1.26 -5.06 113.62 121.65 1w44 n SER 237 Ca 0.58 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.72 1w44 n SER 237 Cb 0.20 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 1w44 n SER 237 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1w44 n ASN 238 N 0.00 3.70 -3.52 -3.46 3.02 -1.26 -4.34 115.26 109.40 1w44 n ASN 238 Ca 0.00 -2.70 -0.28 0.00 -0.03 0.00 0.00 54.58 51.57 1w44 n ASN 238 Cb 0.00 -1.35 -0.11 0.00 -0.61 0.00 0.00 39.78 37.71 1w44 n ASN 238 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1w44 s ASP 239 N 3.97 2.68 0.54 6.41 3.68 -1.26 -5.01 116.67 127.69 1w44 s ASP 239 Ca 0.53 -2.74 0.00 0.00 2.13 0.00 0.00 52.55 52.47 1w44 s ASP 239 Cb 0.14 -0.64 0.00 0.00 -1.45 0.00 0.00 42.92 40.97 1w44 s ASP 239 CO 0.01 -0.23 0.91 -0.90 0.13 0.00 0.00 175.17 175.09 1w44 n ASP 240 N 3.33 0.00 -0.06 -0.34 5.75 -1.26 0.13 116.55 124.09 1w44 n ASP 240 Ca 0.19 0.41 -0.14 0.00 -0.01 0.00 0.00 54.79 55.24 1w44 n ASP 240 Cb 0.40 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.42 1w44 n ASP 240 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1w44 h LYS 241 N 0.00 0.43 0.14 0.11 1.79 -1.94 -2.61 116.57 114.48 1w44 h LYS 241 Ca 0.00 -0.25 -0.27 0.00 -2.18 0.00 0.00 60.65 57.95 1w44 h LYS 241 Cb 1.81 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 32.49 1w44 h LYS 241 CO 0.00 0.83 -1.32 0.97 -1.08 0.00 0.00 179.45 178.85 1w44 h ILE 242 N 0.06 1.14 0.00 1.86 2.10 0.65 -3.22 117.51 120.11 1w44 h ILE 242 Ca 0.02 -2.46 -0.01 0.00 1.08 0.00 0.00 64.86 63.49 1w44 h ILE 242 Cb 0.78 2.85 -0.00 0.00 -1.09 0.00 0.00 36.82 39.36 1w44 h ILE 242 CO 0.05 0.73 -0.05 1.62 -1.08 0.00 0.00 178.15 179.41 1w44 h VAL 243 N -0.25 1.01 0.00 2.19 3.04 -1.32 -0.37 116.25 120.55 1w44 h VAL 243 Ca -0.27 -0.19 -0.09 0.00 -1.01 0.00 0.00 66.70 65.14 1w44 h VAL 243 Cb 1.79 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 32.16 1w44 h VAL 243 CO 0.10 0.05 -0.51 -0.33 -1.01 0.00 0.00 177.57 175.88 1w44 h GLU 244 N 0.00 0.00 0.01 4.17 4.39 -1.59 -2.56 114.58 119.00 1w44 h GLU 244 Ca -0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 1w44 h GLU 244 Cb 0.10 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1w44 h GLU 244 CO 0.01 0.41 -0.88 1.25 -1.16 0.00 0.00 179.01 178.64 1w44 h LEU 245 N 0.00 0.16 -0.24 1.33 5.85 -1.14 -1.06 115.31 120.21 1w44 h LEU 245 Ca -0.01 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1w44 h LEU 245 Cb 1.34 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1w44 h LEU 245 CO 0.05 0.96 -0.08 0.58 -0.34 0.00 0.00 178.44 179.62 1w44 h VAL 246 N 0.06 1.29 -0.15 1.05 2.07 -1.11 0.43 116.25 119.89 1w44 h VAL 246 Ca -0.03 -1.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.30 1w44 h VAL 246 Cb 1.53 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1w44 h VAL 246 CO 0.13 0.34 -0.30 0.11 0.02 0.00 0.00 177.57 177.87 1w44 h LYS 247 N 0.21 0.29 -0.18 1.57 1.57 -1.42 0.85 116.57 119.46 1w44 h LYS 247 Ca 0.06 -0.11 -0.20 0.00 -1.87 0.00 0.00 60.65 58.53 1w44 h LYS 247 Cb 0.55 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1w44 h LYS 247 CO 0.03 0.57 -0.69 1.49 -0.57 0.00 0.00 179.45 180.28 1w44 h GLU 248 N 0.26 0.74 -0.43 3.15 4.57 -1.01 0.25 114.58 122.11 1w44 h GLU 248 Ca 0.04 -0.55 -0.05 0.00 -1.18 0.00 0.00 59.36 57.62 1w44 h GLU 248 Cb 0.66 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 1w44 h GLU 248 CO 0.05 1.17 0.08 0.00 -1.18 0.00 0.00 179.01 179.13 1w44 h ALA 249 N 0.69 0.57 -0.33 2.92 0.00 -0.58 0.11 119.26 122.65 1w44 h ALA 249 Ca -0.02 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1w44 h ALA 249 Cb 1.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1w44 h ALA 249 CO 0.14 0.27 -0.28 0.77 0.00 0.00 0.00 179.25 180.16 1w44 h SER 250 N 0.57 0.69 0.03 0.00 0.02 -0.70 -1.62 113.55 112.53 1w44 h SER 250 Ca 0.13 -0.26 -0.12 0.00 -0.84 0.00 0.00 61.79 60.70 1w44 h SER 250 Cb 0.35 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.71 1w44 h SER 250 CO 0.01 0.94 -0.50 -0.09 -1.14 0.00 0.00 176.83 176.04 1w44 h ARG 251 N 0.58 0.29 0.00 3.45 2.43 -0.30 -3.40 114.38 117.43 1w44 h ARG 251 Ca 0.07 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1w44 h ARG 251 Cb 0.77 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1w44 h ARG 251 CO 0.06 1.07 -1.01 0.43 -1.51 0.00 0.00 179.97 179.01 1w44 n SER 252 N -4.31 2.23 -0.67 -3.80 7.64 0.37 -4.64 113.62 110.44 1w44 n SER 252 Ca -0.11 -0.23 0.07 0.00 1.01 0.00 0.00 58.87 59.61 1w44 n SER 252 Cb 0.64 1.23 0.11 0.00 -1.01 0.00 0.00 64.21 65.18 1w44 n SER 252 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1w44 n ASN 253 N -1.57 2.54 -4.57 6.43 5.03 -0.63 -4.96 115.26 117.54 1w44 n ASN 253 Ca -0.00 -1.73 -0.34 0.00 0.87 0.00 0.00 54.58 53.37 1w44 n ASN 253 Cb 0.17 -0.10 -0.11 0.00 -1.02 0.00 0.00 39.78 38.72 1w44 n ASN 253 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1w44 s SER 254 N -1.16 4.64 0.06 6.41 0.01 -1.09 -4.44 113.70 118.13 1w44 s SER 254 Ca 0.21 -0.04 -0.14 0.00 1.31 0.00 0.00 55.95 57.29 1w44 s SER 254 Cb 0.13 -1.25 -0.28 0.00 0.21 0.00 0.00 66.02 64.84 1w44 s SER 254 CO 0.19 0.34 1.12 0.74 0.41 0.00 0.00 173.24 176.03 1w44 h THR 255 N 4.38 1.29 -3.89 1.44 2.02 -0.90 -3.47 112.91 113.78 1w44 h THR 255 Ca -0.46 -2.48 -0.22 0.00 0.77 0.00 0.00 66.41 64.02 1w44 h THR 255 Cb 1.18 2.69 -0.16 0.00 -1.74 0.00 0.00 68.15 70.11 1w44 h THR 255 CO 0.53 0.75 -0.70 -0.44 0.37 0.00 0.00 175.52 176.04 1w44 s SER 256 N -7.40 0.99 -0.04 4.18 0.01 -0.68 -1.67 113.70 109.08 1w44 s SER 256 Ca -0.09 -0.90 0.02 0.00 1.31 0.00 0.00 55.95 56.29 1w44 s SER 256 Cb 0.06 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.39 1w44 s SER 256 CO 0.93 -0.42 -0.10 -0.22 0.41 0.00 0.00 173.24 173.83 1w44 s LEU 257 N -2.69 1.67 -0.22 2.44 0.20 0.73 -1.81 118.68 118.99 1w44 s LEU 257 Ca 0.06 -0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.67 1w44 s LEU 257 Cb 0.02 -0.67 0.04 0.00 -0.43 0.00 0.00 46.19 45.15 1w44 s LEU 257 CO -0.04 0.04 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.23 1w44 s VAL 258 N 0.47 2.05 -0.02 1.68 1.01 0.56 -0.06 120.40 126.10 1w44 s VAL 258 Ca -0.09 -1.30 0.05 0.00 0.00 0.00 0.00 61.98 60.64 1w44 s VAL 258 Cb -0.13 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1w44 s VAL 258 CO 0.02 0.20 -0.17 -0.51 0.00 0.00 0.00 175.10 174.64 1w44 s ILE 259 N 1.21 1.33 0.77 2.22 2.07 -0.04 -0.76 121.20 128.00 1w44 s ILE 259 Ca -0.03 -0.70 -0.11 0.00 -1.41 0.00 0.00 60.65 58.40 1w44 s ILE 259 Cb -0.17 -1.12 0.06 0.00 0.13 0.00 0.00 42.46 41.35 1w44 s ILE 259 CO -0.08 0.38 1.09 -0.94 -1.91 0.00 0.00 174.94 173.48 1w44 s SER 260 N -0.25 4.48 0.00 4.50 1.04 -0.74 -1.09 113.70 121.64 1w44 s SER 260 Ca 0.03 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.31 1w44 s SER 260 Cb -0.08 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1w44 s SER 260 CO 0.00 -2.05 0.00 0.35 0.98 0.00 0.00 173.24 172.52 1w44 n THR 261 N -3.47 0.00 0.22 2.02 -2.24 -1.09 -4.71 114.28 105.00 1w44 n THR 261 Ca 0.09 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.96 1w44 n THR 261 Cb 0.53 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 69.25 1w44 n THR 261 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1w44 h ASP 262 N 0.00 0.00 -3.76 3.42 3.45 -1.92 -3.42 116.42 114.18 1w44 h ASP 262 Ca 0.00 0.00 -0.65 0.00 0.43 0.00 0.00 57.03 56.81 1w44 h ASP 262 Cb 0.00 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 38.60 1w44 h ASP 262 CO 0.00 0.26 -0.39 -0.69 -1.57 0.00 0.00 179.24 176.84 1w44 s VAL 263 N -3.90 5.24 0.19 -1.35 1.01 -1.26 -5.04 120.40 115.29 1w44 s VAL 263 Ca -0.01 0.13 -0.33 0.00 0.00 0.00 0.00 61.98 61.77 1w44 s VAL 263 Cb 0.12 -3.68 -0.14 0.00 0.00 0.00 0.00 36.38 32.68 1w44 s VAL 263 CO 0.65 0.09 1.51 0.47 0.00 0.00 0.00 175.10 177.82 1w44 n ASP 264 N 5.21 2.92 0.00 3.32 10.43 -1.26 -1.13 116.55 136.04 1w44 n ASP 264 Ca -0.11 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.35 1w44 n ASP 264 Cb 0.51 -1.42 0.00 0.00 1.84 0.00 0.00 41.12 42.05 1w44 n ASP 264 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1w44 n GLY 265 N 2.94 2.39 3.84 0.44 0.00 -1.26 -4.96 105.19 108.57 1w44 n GLY 265 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1w44 n GLY 265 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1w44 s GLU 266 N -0.65 3.58 0.08 1.61 2.12 -0.29 -1.83 118.70 123.32 1w44 s GLU 266 Ca 0.00 -0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.20 1w44 s GLU 266 Cb 0.00 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 1w44 s GLU 266 CO 0.00 0.68 -0.09 -1.58 -0.54 0.00 0.00 175.26 173.73 1w44 s TRP 267 N -0.73 0.91 -0.09 5.30 0.52 -0.04 -2.68 118.94 122.13 1w44 s TRP 267 Ca 0.13 -0.64 0.02 0.00 0.02 0.00 0.00 56.10 55.63 1w44 s TRP 267 Cb -0.12 -0.52 -0.02 0.00 -1.15 0.00 0.00 33.47 31.66 1w44 s TRP 267 CO 0.03 -0.05 -0.14 -0.65 0.02 0.00 0.00 176.95 176.16 1w44 s GLN 268 N -2.52 2.94 -0.21 4.98 -0.21 -0.25 0.42 119.66 124.81 1w44 s GLN 268 Ca 0.01 -0.69 -0.04 0.00 0.02 0.00 0.00 55.36 54.66 1w44 s GLN 268 Cb -0.04 -2.50 -0.01 0.00 1.00 0.00 0.00 33.01 31.45 1w44 s GLN 268 CO -0.01 0.42 -0.03 0.08 -2.12 0.00 0.00 175.29 173.63 1w44 s VAL 269 N -0.19 3.54 -0.22 1.09 1.01 0.23 -0.86 120.40 125.00 1w44 s VAL 269 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1w44 s VAL 269 Cb -0.13 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1w44 s VAL 269 CO 0.03 0.43 -0.08 -0.76 0.00 0.00 0.00 175.10 174.72 1w44 s LEU 270 N 1.31 2.78 -0.18 3.92 1.02 0.91 -2.09 118.68 126.34 1w44 s LEU 270 Ca 0.04 -0.51 -0.01 0.00 0.02 0.00 0.00 54.13 53.67 1w44 s LEU 270 Cb -0.14 -1.68 0.00 0.00 0.02 0.00 0.00 46.19 44.39 1w44 s LEU 270 CO -0.01 -0.03 -0.13 -0.89 0.02 0.00 0.00 176.35 175.31 1w44 s THR 271 N 1.42 2.73 -0.26 5.49 2.01 0.34 -0.19 115.64 127.18 1w44 s THR 271 Ca 0.05 -0.73 -0.28 0.00 0.31 0.00 0.00 61.69 61.05 1w44 s THR 271 Cb -0.14 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 70.19 1w44 s THR 271 CO -0.05 0.49 0.99 -0.13 -0.69 0.00 0.00 174.62 175.23 1w44 s ARG 272 N 1.17 4.17 0.00 4.92 0.52 -0.67 -0.79 118.95 128.26 1w44 s ARG 272 Ca 0.01 1.14 0.26 0.00 -0.52 0.00 0.00 55.73 56.63 1w44 s ARG 272 Cb -0.14 -3.68 0.73 0.00 0.52 0.00 0.00 34.95 32.39 1w44 s ARG 272 CO -0.05 -0.69 1.57 0.25 0.02 0.00 0.00 175.30 176.40 1w44 n THR 273 N 5.48 0.00 0.00 0.02 -2.24 -1.24 -4.82 114.28 111.49 1w44 n THR 273 Ca 0.10 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1w44 n THR 273 Cb 0.47 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1w44 n THR 273 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w44 n GLY 274 N 1.49 0.98 3.68 3.38 0.00 -1.26 -3.96 105.19 109.50 1w44 n GLY 274 Ca 0.06 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1w44 n GLY 274 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1w44 s GLU 275 N -1.99 4.14 0.00 1.61 2.12 0.11 -1.65 118.70 123.05 1w44 s GLU 275 Ca 0.00 2.57 0.00 0.00 0.36 0.00 0.00 54.97 57.90 1w44 s GLU 275 Cb 0.00 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.52 1w44 s GLU 275 CO 0.00 -0.89 0.00 0.41 -0.54 0.00 0.00 175.26 174.24 1w44 n GLY 276 N 4.36 0.36 3.98 -1.50 0.00 -1.26 -5.00 105.19 106.13 1w44 n GLY 276 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1w44 n GLY 276 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w44 s LEU 277 N 0.00 3.44 0.47 0.99 1.43 -0.66 -5.08 118.68 119.28 1w44 s LEU 277 Ca 0.00 -0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 1w44 s LEU 277 Cb 0.00 -2.81 -0.09 0.00 0.03 0.00 0.00 46.19 43.32 1w44 s LEU 277 CO 0.00 -0.97 1.00 -1.10 0.23 0.00 0.00 176.35 175.51 1w44 s GLN 278 N -4.60 3.96 0.21 1.70 -0.21 -1.26 -4.75 119.66 114.72 1w44 s GLN 278 Ca 0.56 1.21 -0.20 0.00 0.02 0.00 0.00 55.36 56.95 1w44 s GLN 278 Cb -0.10 -2.13 -0.08 0.00 1.00 0.00 0.00 33.01 31.70 1w44 s GLN 278 CO 0.36 -0.28 0.71 1.03 -2.12 0.00 0.00 175.29 175.00 1w44 s ARG 279 N -3.36 4.25 0.23 2.91 0.52 -1.26 -3.68 118.95 118.55 1w44 s ARG 279 Ca 0.64 0.86 0.07 0.00 -0.52 0.00 0.00 55.73 56.78 1w44 s ARG 279 Cb -0.13 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 1w44 s ARG 279 CO 0.19 0.41 0.11 -0.51 0.02 0.00 0.00 175.30 175.52 1w44 s LEU 280 N -1.93 3.58 -0.03 2.53 1.43 0.03 -1.73 118.68 122.55 1w44 s LEU 280 Ca 0.42 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1w44 s LEU 280 Cb -0.17 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 43.91 1w44 s LEU 280 CO 0.21 0.01 0.09 0.28 0.23 0.00 0.00 176.35 177.17 1w44 s THR 281 N -2.04 0.00 0.21 5.49 -1.32 0.17 -0.50 115.64 117.66 1w44 s THR 281 Ca 0.31 -0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 60.67 1w44 s THR 281 Cb -0.08 -0.14 -0.00 0.00 -1.51 0.00 0.00 72.50 70.77 1w44 s THR 281 CO 0.22 -0.01 0.40 -1.38 -2.21 0.00 0.00 174.62 171.65 1w44 s HIS 282 N 0.03 0.37 0.08 9.09 -3.43 -0.89 -4.34 115.29 116.20 1w44 s HIS 282 Ca -0.00 -0.72 0.08 0.00 -0.80 0.00 0.00 55.06 53.62 1w44 s HIS 282 Cb -0.01 0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 31.20 1w44 s HIS 282 CO 0.00 -0.88 -0.18 0.99 -2.00 0.00 0.00 174.74 172.67 1w44 s THR 283 N -4.00 2.84 -0.04 -5.38 2.01 -1.26 -0.60 115.64 109.21 1w44 s THR 283 Ca 0.20 -1.33 0.07 0.00 0.31 0.00 0.00 61.69 60.95 1w44 s THR 283 Cb 0.01 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 1w44 s THR 283 CO 0.05 0.22 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.19 1w44 s LEU 284 N -1.78 2.07 -0.04 4.42 1.02 0.17 -4.97 118.68 119.57 1w44 s LEU 284 Ca 0.16 -0.49 0.01 0.00 0.02 0.00 0.00 54.13 53.83 1w44 s LEU 284 Cb -0.11 -1.36 -0.03 0.00 0.02 0.00 0.00 46.19 44.71 1w44 s LEU 284 CO 0.08 0.28 -0.04 -1.10 0.02 0.00 0.00 176.35 175.59 1w44 s GLN 285 N -0.38 2.76 0.14 1.70 -1.52 -1.26 -0.86 119.66 120.23 1w44 s GLN 285 Ca 0.03 -0.57 -0.03 0.00 -1.95 0.00 0.00 55.36 52.84 1w44 s GLN 285 Cb -0.12 -2.63 -0.03 0.00 -0.22 0.00 0.00 33.01 30.01 1w44 s GLN 285 CO 0.01 0.65 0.12 0.95 -0.25 0.00 0.00 175.29 176.77 1w44 s THR 286 N -0.92 0.09 0.03 -0.19 -4.23 -0.76 -0.98 115.64 108.68 1w44 s THR 286 Ca 0.15 -1.77 -0.20 0.00 -1.18 0.00 0.00 61.69 58.69 1w44 s THR 286 Cb -0.11 -1.99 0.04 0.00 1.34 0.00 0.00 72.50 71.78 1w44 s THR 286 CO 0.05 -0.42 0.45 -0.94 -0.54 0.00 0.00 174.62 173.22 1w44 s SER 287 N -3.03 -0.34 0.04 3.99 1.04 -0.44 -4.80 113.70 110.16 1w44 s SER 287 Ca 0.22 0.10 -0.13 0.00 0.48 0.00 0.00 55.95 56.63 1w44 s SER 287 Cb 0.06 0.44 -0.06 0.00 0.10 0.00 0.00 66.02 66.57 1w44 s SER 287 CO 0.01 -0.66 0.42 -0.31 0.98 0.00 0.00 173.24 173.68 1w44 s TYR 288 N -2.28 3.67 0.00 5.02 2.02 -1.26 -0.73 117.35 123.78 1w44 s TYR 288 Ca -0.06 0.93 0.00 0.00 -0.37 0.00 0.00 57.07 57.56 1w44 s TYR 288 Cb -0.01 -2.25 0.00 0.00 -0.40 0.00 0.00 41.96 39.30 1w44 s TYR 288 CO -0.01 0.58 0.00 0.41 -1.57 0.00 0.00 175.55 174.97 1w44 n GLY 289 N 1.41 3.14 3.82 0.71 0.00 -0.02 -4.97 105.19 109.27 1w44 n GLY 289 Ca -0.11 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 1w44 n GLY 289 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w44 s GLU 290 N 4.13 3.67 -1.38 1.61 2.02 -1.26 -3.96 118.70 123.53 1w44 s GLU 290 Ca 0.00 1.12 -0.11 0.00 0.02 0.00 0.00 54.97 56.00 1w44 s GLU 290 Cb 0.00 -2.09 0.09 0.00 0.10 0.00 0.00 34.13 32.23 1w44 s GLU 290 CO 0.00 -0.51 0.59 0.72 0.02 0.00 0.00 175.26 176.08 1w44 n HIS 291 N -1.64 -1.84 -1.51 1.61 8.25 -1.26 -1.54 115.22 117.28 1w44 n HIS 291 Ca 0.08 0.57 -0.16 0.00 -0.26 0.00 0.00 57.72 57.94 1w44 n HIS 291 Cb 0.53 -3.09 -0.07 0.00 1.12 0.00 0.00 29.99 28.48 1w44 n HIS 291 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1w44 n SER 292 N -2.41 -4.97 -4.65 0.41 7.64 -1.25 -4.96 113.62 103.43 1w44 n SER 292 Ca 0.00 0.39 -0.43 0.00 1.01 0.00 0.00 58.87 59.84 1w44 n SER 292 Cb 0.53 -3.92 -0.02 0.00 -1.01 0.00 0.00 64.21 59.79 1w44 n SER 292 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1w44 s VAL 293 N -2.62 4.27 0.11 0.44 1.01 -0.59 -4.85 120.40 118.17 1w44 s VAL 293 Ca 0.00 1.50 -0.13 0.00 0.00 0.00 0.00 61.98 63.36 1w44 s VAL 293 Cb 0.00 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 1w44 s VAL 293 CO 0.00 -0.25 0.48 -0.22 0.00 0.00 0.00 175.10 175.11 1w44 s LEU 294 N 3.76 4.35 -0.04 3.92 2.96 -1.26 -0.84 118.68 131.53 1w44 s LEU 294 Ca 0.54 0.96 0.06 0.00 -0.22 0.00 0.00 54.13 55.47 1w44 s LEU 294 Cb -0.20 -3.11 -0.01 0.00 0.50 0.00 0.00 46.19 43.37 1w44 s LEU 294 CO 0.17 0.14 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.22 1w44 s THR 295 N -1.42 1.85 -0.34 3.68 2.01 0.09 -4.67 115.64 116.85 1w44 s THR 295 Ca 0.35 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 1w44 s THR 295 Cb -0.15 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 1w44 s THR 295 CO 0.18 0.52 0.44 -0.63 -0.69 0.00 0.00 174.62 174.45 1w44 s ILE 296 N -0.29 5.09 0.62 1.82 1.01 -1.26 -1.32 121.20 126.86 1w44 s ILE 296 Ca 0.02 0.26 -0.18 0.00 0.00 0.00 0.00 60.65 60.74 1w44 s ILE 296 Cb -0.11 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1w44 s ILE 296 CO 0.01 -0.12 1.24 -1.00 0.00 0.00 0.00 174.94 175.07 1w44 s HIS 297 N 2.21 2.25 0.00 3.97 3.76 -0.15 -5.01 115.29 122.33 1w44 s HIS 297 Ca 0.16 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.57 1w44 s HIS 297 Cb -0.16 -3.57 0.00 0.00 1.11 0.00 0.00 32.58 29.96 1w44 s HIS 297 CO 0.12 -2.51 0.00 2.41 -0.85 0.00 0.00 174.74 173.91 1w44 n THR 298 N -1.75 0.00 -1.52 1.30 -1.04 -1.26 -4.66 114.28 105.35 1w44 n THR 298 Ca 0.15 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.86 1w44 n THR 298 Cb 0.49 -0.96 -0.15 0.00 -1.82 0.00 0.00 70.33 67.89 1w44 n THR 298 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1w44 n SER 299 N -1.38 0.22 0.12 8.00 2.88 -1.26 -4.95 113.62 117.25 1w44 n SER 299 Ca 0.00 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 1w44 n SER 299 Cb 0.00 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1w44 n SER 299 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1w44 n GLN 306 N 7.57 0.00 -3.09 -1.46 7.27 -1.26 -5.13 117.38 121.29 1w44 n GLN 306 Ca 0.59 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 57.32 1w44 n GLN 306 Cb 0.21 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.80 1w44 n GLN 306 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1w44 s ALA 307 N -2.00 3.34 0.18 1.69 0.00 -1.26 0.46 121.76 124.17 1w44 s ALA 307 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.13 1w44 s ALA 307 Cb 0.00 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 1w44 s ALA 307 CO 0.00 0.31 -0.04 -1.54 0.00 0.00 0.00 175.76 174.49 1w44 s SER 308 N -1.99 1.70 0.51 0.00 1.04 -0.70 -4.86 113.70 109.39 1w44 s SER 308 Ca 0.50 -1.12 0.08 0.00 0.48 0.00 0.00 55.95 55.89 1w44 s SER 308 Cb -0.13 0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.06 1w44 s SER 308 CO 0.19 -0.45 0.60 -0.83 0.98 0.00 0.00 173.24 173.73 1w44 s GLY 309 N -3.22 1.98 0.33 7.32 0.00 -1.26 -4.31 107.32 108.15 1w44 s GLY 309 Ca 0.23 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 43.13 1w44 s GLY 309 CO 0.04 -1.71 1.98 0.50 0.00 0.00 0.00 173.10 173.91 1w44 h LYS 310 N 0.53 0.90 0.23 2.90 6.56 -2.00 -2.84 116.57 122.84 1w44 h LYS 310 Ca -0.35 -0.07 0.01 0.00 -1.06 0.00 0.00 60.65 59.18 1w44 h LYS 310 Cb 1.29 -0.20 -0.03 0.00 -0.57 0.00 0.00 32.23 32.72 1w44 h LYS 310 CO 0.48 0.62 -0.30 0.00 -2.06 0.00 0.00 179.45 178.19 1w44 h ALA 311 N 1.54 -0.58 -0.92 3.86 0.00 -2.00 -2.15 119.26 119.01 1w44 h ALA 311 Ca 0.24 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.22 1w44 h ALA 311 Cb -0.06 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1w44 h ALA 311 CO -0.05 -0.87 0.52 0.82 0.00 0.00 0.00 179.25 179.68 1w44 h ILE 312 N -0.59 0.79 -0.17 0.00 2.04 -1.92 -1.71 117.51 115.95 1w44 h ILE 312 Ca 0.00 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1w44 h ILE 312 Cb 0.57 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1w44 h ILE 312 CO -0.11 0.14 0.05 -0.61 0.00 0.00 0.00 178.15 177.62 1w44 h GLN 313 N 0.76 0.12 -0.07 2.37 -0.00 -1.18 -1.59 115.11 115.53 1w44 h GLN 313 Ca 0.49 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 59.06 1w44 h GLN 313 Cb 0.64 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.08 1w44 h GLN 313 CO -0.33 0.08 -0.32 1.15 0.00 0.00 0.00 178.83 179.42 1w44 h THR 314 N 0.13 1.25 -0.09 2.39 2.02 -0.77 -1.40 112.91 116.43 1w44 h THR 314 Ca 0.07 -1.20 0.03 0.00 0.77 0.00 0.00 66.41 66.08 1w44 h THR 314 Cb 0.05 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1w44 h THR 314 CO -0.08 0.35 -0.07 0.58 0.37 0.00 0.00 175.52 176.67 1w44 h VAL 315 N 0.11 0.78 -0.96 3.16 2.07 -0.60 -0.03 116.25 120.79 1w44 h VAL 315 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1w44 h VAL 315 Cb 0.62 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1w44 h VAL 315 CO 0.05 0.00 0.63 0.40 0.02 0.00 0.00 177.57 178.67 1w44 h ILE 316 N -0.08 1.23 -0.65 4.57 5.03 -0.82 -2.28 117.51 124.51 1w44 h ILE 316 Ca 0.06 -0.44 -0.04 0.00 -0.12 0.00 0.00 64.86 64.32 1w44 h ILE 316 Cb 0.18 -0.16 -0.03 0.00 -3.03 0.00 0.00 36.82 33.77 1w44 h ILE 316 CO -0.15 0.23 0.25 0.11 -0.68 0.00 0.00 178.15 177.91 1w44 h LYS 317 N 1.28 0.96 -1.03 2.37 1.79 -0.56 -2.38 116.57 119.00 1w44 h LYS 317 Ca 0.36 -0.16 0.26 0.00 -2.18 0.00 0.00 60.65 58.92 1w44 h LYS 317 Cb -0.13 -0.16 -0.10 0.00 -1.58 0.00 0.00 32.23 30.26 1w44 h LYS 317 CO -0.08 0.79 0.65 -0.91 -1.08 0.00 0.00 179.45 178.82 1w44 h ASN 318 N 0.94 0.50 -1.25 0.86 4.21 -0.41 -1.77 115.58 118.66 1w44 h ASN 318 Ca 0.22 0.09 0.36 0.00 1.21 0.00 0.00 56.30 58.18 1w44 h ASN 318 Cb 0.20 0.01 -0.08 0.00 -1.12 0.00 0.00 38.32 37.33 1w44 h ASN 318 CO -0.02 0.10 0.85 0.44 -1.29 0.00 0.00 177.43 177.52 1w44 h ASP 319 N 0.45 0.19 -0.40 5.81 5.19 -1.46 -2.83 116.42 123.36 1w44 h ASP 319 Ca 0.60 0.05 -0.26 0.00 -0.62 0.00 0.00 57.03 56.80 1w44 h ASP 319 Cb 1.41 0.03 -0.11 0.00 0.18 0.00 0.00 39.33 40.85 1w44 h ASP 319 CO -0.33 -0.01 0.26 -0.62 -3.12 0.00 0.00 179.24 175.43 1w44 n GLU 320 N -4.40 1.70 0.00 3.56 1.02 -0.67 -4.53 120.64 117.32 1w44 n GLU 320 Ca 0.30 -1.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.18 1w44 n GLU 320 Cb 1.24 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 1w44 n GLU 320 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59