#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 5.20 0.04 3.17 -4.36 -1.26 -5.10 121.20 118.90 1w44 s ILE 2 Ca 0.00 -0.35 0.05 0.00 -0.26 0.00 0.00 60.65 60.09 1w44 s ILE 2 Cb 0.00 -3.73 -0.02 0.00 1.25 0.00 0.00 42.46 39.96 1w44 s ILE 2 CO 0.00 -0.17 -0.15 -1.00 0.24 0.00 0.00 174.94 173.86 1w44 s HIS 3 N -1.86 1.31 -0.06 1.37 3.76 -1.26 -4.78 115.29 113.77 1w44 s HIS 3 Ca 0.38 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 1w44 s HIS 3 Cb -0.11 -0.78 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 1w44 s HIS 3 CO 0.29 0.05 -0.03 -0.51 -0.85 0.00 0.00 174.74 173.68 1w44 s LEU 4 N -1.18 3.37 0.03 0.89 1.43 -1.26 -5.12 118.68 116.84 1w44 s LEU 4 Ca 0.02 0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1w44 s LEU 4 Cb -0.08 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1w44 s LEU 4 CO 0.01 0.35 -0.01 -0.31 0.23 0.00 0.00 176.35 176.62 1w44 s TYR 5 N -0.90 0.31 0.46 0.29 2.02 -1.26 -4.98 117.35 113.28 1w44 s TYR 5 Ca 0.14 -0.64 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 1w44 s TYR 5 Cb -0.11 -0.23 -0.02 0.00 -0.40 0.00 0.00 41.96 41.20 1w44 s TYR 5 CO 0.04 -0.26 0.05 0.16 -1.57 0.00 0.00 175.55 173.97 1w44 s ASP 6 N -1.88 3.59 0.26 2.29 1.47 -1.26 -4.96 116.67 116.17 1w44 s ASP 6 Ca -0.09 -1.65 -0.02 0.00 1.18 0.00 0.00 52.55 51.97 1w44 s ASP 6 Cb -0.05 0.46 0.48 0.00 -0.34 0.00 0.00 42.92 43.48 1w44 s ASP 6 CO -0.03 -0.86 1.78 0.00 0.68 0.00 0.00 175.17 176.74 1w44 h ALA 7 N 1.55 1.24 0.28 2.11 0.00 -2.01 -1.61 119.26 120.81 1w44 h ALA 7 Ca -0.41 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1w44 h ALA 7 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1w44 h ALA 7 CO 0.68 -0.02 -0.13 0.87 0.00 0.00 0.00 179.25 180.65 1w44 h LYS 8 N 0.69 -0.36 0.00 0.00 1.57 -2.00 -1.68 116.57 114.79 1w44 h LYS 8 Ca 0.44 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.19 1w44 h LYS 8 Cb 0.54 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1w44 h LYS 8 CO -0.32 -0.14 -0.23 0.66 -0.57 0.00 0.00 179.45 178.85 1w44 h SER 9 N -0.53 0.00 -0.09 0.86 4.64 -1.93 -2.20 113.55 114.30 1w44 h SER 9 Ca -0.04 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1w44 h SER 9 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1w44 h SER 9 CO 0.06 0.23 -0.18 0.15 -0.87 0.00 0.00 176.83 176.23 1w44 h PHE 10 N 0.00 0.36 -0.28 4.77 3.57 -1.18 -1.06 116.94 123.12 1w44 h PHE 10 Ca -0.00 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 1w44 h PHE 10 Cb 0.61 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1w44 h PHE 10 CO 0.00 0.79 0.09 0.00 -2.23 0.00 0.00 178.31 176.95 1w44 h ALA 11 N 0.51 1.64 -0.43 2.41 0.00 -1.08 -0.83 119.26 121.47 1w44 h ALA 11 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1w44 h ALA 11 Cb 0.76 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1w44 h ALA 11 CO 0.04 0.29 -0.23 0.87 0.00 0.00 0.00 179.25 180.22 1w44 h LYS 12 N 0.39 0.88 -0.18 0.00 1.57 -1.26 -1.80 116.57 116.18 1w44 h LYS 12 Ca 0.10 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1w44 h LYS 12 Cb 0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1w44 h LYS 12 CO -0.01 1.02 0.07 1.25 -0.57 0.00 0.00 179.45 181.21 1w44 h LEU 13 N 0.76 0.24 -1.34 2.94 5.85 -0.11 -1.37 115.31 122.28 1w44 h LEU 13 Ca 0.10 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1w44 h LEU 13 Cb 0.78 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1w44 h LEU 13 CO 0.06 0.33 0.14 0.03 -0.34 0.00 0.00 178.44 178.66 1w44 h ARG 14 N 0.13 0.58 -0.48 1.25 2.47 -1.08 0.12 114.38 117.37 1w44 h ARG 14 Ca 0.06 -0.08 -0.05 0.00 -1.26 0.00 0.00 59.98 58.64 1w44 h ARG 14 Cb 0.17 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1w44 h ARG 14 CO -0.01 0.50 0.09 0.00 0.56 0.00 0.00 179.97 181.12 1w44 h ALA 15 N 1.58 0.64 -0.43 0.04 0.00 -1.03 0.46 119.26 120.51 1w44 h ALA 15 Ca 0.14 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1w44 h ALA 15 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1w44 h ALA 15 CO -0.01 0.36 -0.19 0.00 0.00 0.00 0.00 179.25 179.40 1w44 h ALA 16 N 0.97 0.85 -0.07 0.00 0.00 -0.50 -1.23 119.26 119.28 1w44 h ALA 16 Ca 0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1w44 h ALA 16 Cb 0.37 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1w44 h ALA 16 CO 0.01 0.64 -0.00 1.96 0.00 0.00 0.00 179.25 181.86 1w44 h GLN 17 N 0.74 0.12 -0.74 0.00 4.20 -0.80 -0.73 115.11 117.89 1w44 h GLN 17 Ca 0.11 -0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.91 1w44 h GLN 17 Cb 0.72 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.40 1w44 h GLN 17 CO 0.06 0.39 0.31 -0.92 -0.67 0.00 0.00 178.83 177.99 1w44 h TYR 18 N -0.17 0.53 -0.53 2.96 5.03 -0.82 -1.52 116.97 122.45 1w44 h TYR 18 Ca 0.02 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.27 1w44 h TYR 18 Cb 0.34 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.48 1w44 h TYR 18 CO 0.03 0.09 -0.05 0.00 -1.32 0.00 0.00 178.16 176.91 1w44 h ALA 19 N 1.52 0.91 -0.38 1.82 0.00 -0.99 -1.16 119.26 120.98 1w44 h ALA 19 Ca 0.40 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1w44 h ALA 19 Cb 0.57 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1w44 h ALA 19 CO -0.38 0.64 0.33 0.00 0.00 0.00 0.00 179.25 179.84 1w44 h ALA 20 N 1.08 2.19 0.00 0.00 0.00 -0.06 -0.81 119.26 121.66 1w44 h ALA 20 Ca 0.15 -0.01 -0.45 0.00 0.00 0.00 0.00 54.91 54.59 1w44 h ALA 20 Cb 0.58 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1w44 h ALA 20 CO 0.03 -0.53 -2.50 0.34 0.00 0.00 0.00 179.25 176.60 1w44 n PHE 21 N -4.06 0.04 0.08 0.00 7.35 -1.11 -1.86 117.46 117.90 1w44 n PHE 21 Ca 0.06 0.02 -0.14 0.00 -0.76 0.00 0.00 57.45 56.64 1w44 n PHE 21 Cb 0.51 -1.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.26 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 -0.92 0.53 0.00 -5.13 3.86 -1.08 -3.41 115.15 108.99 1w44 h HIS 22 Ca -0.69 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.21 1w44 h HIS 22 Cb 1.63 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 30.05 1w44 h HIS 22 CO -0.07 1.17 -0.46 0.25 0.86 0.00 0.00 177.93 179.67 1w44 n THR 23 N -3.66 0.00 -1.41 2.45 -2.24 -0.63 -5.05 114.28 103.74 1w44 n THR 23 Ca -0.07 -0.14 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 1w44 n THR 23 Cb 0.90 0.61 0.09 0.00 -2.10 0.00 0.00 70.33 69.82 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 -1.21 4.22 0.21 3.42 1.11 -0.41 -4.92 116.67 119.10 1w44 s ASP 24 Ca 0.00 2.29 -0.30 0.00 0.18 0.00 0.00 52.55 54.72 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 -2.25 1.41 0.00 1.18 0.00 0.00 175.17 175.51 1w44 s ALA 25 N -2.09 3.61 0.26 5.23 0.00 -1.26 -4.92 121.76 122.59 1w44 s ALA 25 Ca 0.73 1.25 -0.31 0.00 0.00 0.00 0.00 51.96 53.63 1w44 s ALA 25 Cb -0.27 -3.54 -0.13 0.00 0.00 0.00 0.00 23.12 19.17 1w44 s ALA 25 CO 0.46 -0.67 1.37 -2.30 0.00 0.00 0.00 175.76 174.62 1w44 n PRO 26 N 2.76 2.02 -0.91 0.00 -0.02 -1.26 -1.56 135.00 136.02 1w44 n PRO 26 Ca 0.08 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1w44 n PRO 26 Cb 0.41 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 1.89 0.80 0.26 -1.23 0.00 -0.35 -4.83 105.19 101.72 1w44 n GLY 27 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 0.74 -0.43 1.61 4.64 -1.50 -2.87 113.55 115.74 1w44 h SER 28 Ca 0.00 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1w44 h SER 28 Cb 0.00 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 1w44 h SER 28 CO 0.00 0.94 0.24 -0.25 -0.87 0.00 0.00 176.83 176.89 1w44 h TRP 29 N 0.64 0.59 -0.59 4.77 2.91 -1.84 -1.07 115.95 121.36 1w44 h TRP 29 Ca 0.09 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.16 1w44 h TRP 29 Cb 0.72 -0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 29.12 1w44 h TRP 29 CO 0.03 0.44 0.28 0.35 -1.03 0.00 0.00 178.44 178.52 1w44 h PHE 30 N 0.56 0.50 -0.54 2.65 3.57 -1.65 -0.15 116.94 121.88 1w44 h PHE 30 Ca 0.15 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1w44 h PHE 30 Cb 0.05 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1w44 h PHE 30 CO -0.02 0.21 0.34 -0.44 -2.23 0.00 0.00 178.31 176.17 1w44 h ASP 31 N 0.52 0.63 0.21 0.41 3.45 -1.23 0.96 116.42 121.37 1w44 h ASP 31 Ca 0.28 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.70 1w44 h ASP 31 Cb 0.24 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 1w44 h ASP 31 CO -0.22 0.48 -0.15 -0.74 -1.57 0.00 0.00 179.24 177.03 1w44 h HIS 32 N 0.73 -0.40 -0.30 4.55 2.76 -0.54 -2.13 115.15 119.82 1w44 h HIS 32 Ca 0.20 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 1w44 h HIS 32 Cb -0.05 0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 1w44 h HIS 32 CO -0.03 -0.24 -0.02 1.79 -1.30 0.00 0.00 177.93 178.13 1w44 h THR 33 N -0.37 1.19 -0.97 6.26 1.35 -0.71 -1.19 112.91 118.48 1w44 h THR 33 Ca -0.01 -0.78 0.06 0.00 -0.55 0.00 0.00 66.41 65.13 1w44 h THR 33 Cb 0.32 0.99 -0.06 0.00 -1.73 0.00 0.00 68.15 67.67 1w44 h THR 33 CO -0.01 0.26 0.63 0.28 -0.25 0.00 0.00 175.52 176.44 1w44 h SER 34 N 0.45 1.01 -0.13 5.36 0.02 -0.51 0.01 113.55 119.75 1w44 h SER 34 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1w44 h SER 34 Cb 0.33 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1w44 h SER 34 CO 0.01 0.66 0.04 1.23 -1.14 0.00 0.00 176.83 177.64 1w44 h GLY 35 N 1.15 0.22 0.72 -3.77 0.00 -0.57 -0.93 103.07 99.89 1w44 h GLY 35 Ca 0.41 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.67 1w44 h GLY 35 CO -0.15 0.12 0.46 -2.08 0.00 0.00 0.00 176.54 174.89 1w44 h VAL 36 N 0.03 1.02 -0.38 4.60 2.07 -0.63 -1.93 116.25 121.03 1w44 h VAL 36 Ca 0.04 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1w44 h VAL 36 Cb 0.21 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1w44 h VAL 36 CO -0.00 0.15 -0.06 -0.07 0.02 0.00 0.00 177.57 177.61 1w44 h LEU 37 N 0.85 0.72 -1.69 2.57 3.38 -0.80 -2.94 115.31 117.40 1w44 h LEU 37 Ca 0.34 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1w44 h LEU 37 Cb 0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1w44 h LEU 37 CO -0.17 0.89 -0.17 1.05 0.09 0.00 0.00 178.44 180.13 1w44 h GLU 38 N 0.53 0.00 0.00 1.13 4.11 -0.79 -2.22 114.58 117.34 1w44 h GLU 38 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1w44 h GLU 38 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1w44 h GLU 38 CO 0.03 0.17 0.00 -1.13 0.07 0.00 0.00 179.01 178.15 1w44 n SER 39 N -3.70 0.00 -4.77 3.06 3.41 -0.76 -4.87 113.62 106.00 1w44 n SER 39 Ca -0.02 0.15 -0.41 0.00 -0.26 0.00 0.00 58.87 58.34 1w44 n SER 39 Cb 0.29 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.76 2.75 0.26 -3.33 1.01 -0.84 -4.94 120.40 112.55 1w44 s VAL 40 Ca 0.21 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1w44 s VAL 40 Cb 0.19 -3.47 -0.14 0.00 0.00 0.00 0.00 36.38 32.96 1w44 s VAL 40 CO 0.47 0.17 1.25 -0.62 0.00 0.00 0.00 175.10 176.37 1w44 n GLU 41 N 1.00 1.75 -1.73 2.72 1.02 -1.26 -4.87 120.64 119.27 1w44 n GLU 41 Ca 0.01 0.62 -0.39 0.00 -0.02 0.00 0.00 57.16 57.38 1w44 n GLU 41 Cb 0.42 -2.17 0.04 0.00 -0.02 0.00 0.00 31.44 29.71 1w44 n GLU 41 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1w44 n ASP 42 N 1.65 2.61 0.00 1.62 8.00 -1.26 -1.90 116.55 127.28 1w44 n ASP 42 Ca 0.10 1.00 0.00 0.00 0.71 0.00 0.00 54.79 56.61 1w44 n ASP 42 Cb 0.31 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 39.86 1w44 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1w44 n GLY 43 N 0.78 1.70 3.71 0.44 0.00 -1.26 -4.99 105.19 105.56 1w44 n GLY 43 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.04 4.48 0.16 2.61 2.01 -0.80 -4.97 115.64 116.10 1w44 s THR 44 Ca 0.00 1.78 -0.32 0.00 0.31 0.00 0.00 61.69 63.46 1w44 s THR 44 Cb 0.00 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 1w44 s THR 44 CO 0.00 0.12 1.63 -2.84 -0.69 0.00 0.00 174.62 172.84 1w44 s PRO 45 N 1.19 4.19 -0.01 4.92 0.02 -1.26 -4.20 135.00 139.85 1w44 s PRO 45 Ca 0.55 2.43 0.02 0.00 0.02 0.00 0.00 61.00 64.02 1w44 s PRO 45 Cb -0.25 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.02 1w44 s PRO 45 CO 0.27 -0.67 0.05 1.33 -0.33 0.00 0.00 177.00 177.65 1w44 n VAL 46 N 4.11 0.02 -3.78 3.83 0.24 0.38 -4.64 118.33 118.50 1w44 n VAL 46 Ca 0.15 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.34 62.26 1w44 n VAL 46 Cb 0.38 0.27 -0.12 0.00 -1.47 0.00 0.00 33.84 32.89 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 -3.30 0.97 -0.05 1.34 2.96 -1.10 -0.10 118.68 119.40 1w44 s LEU 47 Ca -0.01 0.48 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 1w44 s LEU 47 Cb 0.01 0.78 0.00 0.00 0.50 0.00 0.00 46.19 47.48 1w44 s LEU 47 CO 0.10 -0.10 -0.16 0.00 -1.32 0.00 0.00 176.35 174.88 1w44 s ALA 48 N 0.36 1.44 0.01 5.97 0.00 -0.58 -0.34 121.76 128.62 1w44 s ALA 48 Ca -0.02 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1w44 s ALA 48 Cb -0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1w44 s ALA 48 CO -0.02 0.23 -0.06 -1.50 0.00 0.00 0.00 175.76 174.41 1w44 s ILE 49 N 0.22 0.43 0.20 0.00 2.07 -0.64 -0.78 121.20 122.70 1w44 s ILE 49 Ca -0.07 -0.47 -0.30 0.00 -1.41 0.00 0.00 60.65 58.40 1w44 s ILE 49 Cb -0.13 -0.41 -0.08 0.00 0.13 0.00 0.00 42.46 41.97 1w44 s ILE 49 CO 0.03 -0.04 1.09 -0.83 -1.91 0.00 0.00 174.94 173.28 1w44 s GLY 50 N -0.55 2.90 0.72 1.50 0.00 -1.26 -1.00 107.32 109.63 1w44 s GLY 50 Ca -0.02 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.51 1w44 s GLY 50 CO -0.00 1.60 0.99 -1.34 0.00 0.00 0.00 173.10 174.35 1w44 s VAL 51 N -0.43 2.08 0.24 1.40 -7.23 -0.06 -4.83 120.40 111.57 1w44 s VAL 51 Ca 0.48 -0.64 -0.07 0.00 -1.81 0.00 0.00 61.98 59.95 1w44 s VAL 51 Cb -0.29 -2.44 0.24 0.00 0.56 0.00 0.00 36.38 34.44 1w44 s VAL 51 CO 0.36 0.00 1.67 -0.08 -0.31 0.00 0.00 175.10 176.73 1w44 h GLU 52 N -0.51 0.18 0.00 4.82 4.81 -1.88 -1.17 114.58 120.82 1w44 h GLU 52 Ca -0.35 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 1w44 h GLU 52 Cb 1.27 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1w44 h GLU 52 CO 0.39 0.12 -0.14 0.66 -0.73 0.00 0.00 179.01 179.31 1w44 h SER 53 N 0.19 0.00 0.00 1.04 4.64 -1.96 -1.80 113.55 115.66 1w44 h SER 53 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1w44 h SER 53 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1w44 h SER 53 CO -0.56 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.15 1w44 n GLY 54 N -0.93 1.63 3.57 -0.77 0.00 -0.45 -4.68 105.19 103.56 1w44 n GLY 54 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.92 1.02 -0.01 1.61 -0.00 -1.26 -4.73 116.67 111.39 1w44 s ASP 55 Ca 0.00 0.82 0.04 0.00 -0.00 0.00 0.00 52.55 53.41 1w44 s ASP 55 Cb 0.00 -1.20 -0.01 0.00 -0.00 0.00 0.00 42.92 41.71 1w44 s ASP 55 CO 0.00 -4.08 -0.11 0.00 -0.00 0.00 0.00 175.17 170.97 1w44 s ALA 56 N -2.88 0.96 0.18 5.23 0.00 -1.26 -0.88 121.76 123.11 1w44 s ALA 56 Ca 0.69 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1w44 s ALA 56 Cb -0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1w44 s ALA 56 CO 0.57 0.23 0.23 0.96 0.00 0.00 0.00 175.76 177.75 1w44 s ILE 57 N -0.24 4.89 -0.03 0.00 -4.36 -0.17 -1.45 121.20 119.84 1w44 s ILE 57 Ca 0.04 -0.96 0.05 0.00 -0.26 0.00 0.00 60.65 59.52 1w44 s ILE 57 Cb -0.05 -3.54 -0.01 0.00 1.25 0.00 0.00 42.46 40.11 1w44 s ILE 57 CO -0.00 -0.16 -0.18 -0.69 0.24 0.00 0.00 174.94 174.14 1w44 s VAL 58 N -1.82 1.48 0.24 8.37 1.01 -1.26 -1.62 120.40 126.80 1w44 s VAL 58 Ca 0.33 -0.78 0.12 0.00 0.00 0.00 0.00 61.98 61.64 1w44 s VAL 58 Cb -0.10 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1w44 s VAL 58 CO 0.26 0.42 -0.21 -0.36 0.00 0.00 0.00 175.10 175.21 1w44 s PHE 59 N -0.27 2.32 0.52 5.22 0.40 0.54 -0.45 117.98 126.27 1w44 s PHE 59 Ca 0.03 -0.34 0.09 0.00 -0.60 0.00 0.00 56.93 56.11 1w44 s PHE 59 Cb -0.09 -1.07 0.06 0.00 0.51 0.00 0.00 43.02 42.43 1w44 s PHE 59 CO 0.00 0.62 0.69 0.16 0.70 0.00 0.00 175.22 177.39 1w44 s ASP 60 N -3.15 5.23 0.63 1.36 -4.77 -0.49 -0.47 116.67 115.01 1w44 s ASP 60 Ca 0.26 -0.75 0.30 0.00 -3.30 0.00 0.00 52.55 49.06 1w44 s ASP 60 Cb -0.06 0.01 1.64 0.00 -1.09 0.00 0.00 42.92 43.41 1w44 s ASP 60 CO 0.13 -1.14 1.97 0.07 0.70 0.00 0.00 175.17 176.90 1w44 h LYS 61 N 0.38 0.00 -0.64 2.11 2.10 -1.89 0.99 116.57 119.62 1w44 h LYS 61 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1w44 h LYS 61 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1w44 h LYS 61 CO 0.44 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.98 1w44 n ASN 62 N -3.27 4.80 -3.24 7.07 5.03 -1.26 -4.91 115.26 119.47 1w44 n ASN 62 Ca 0.01 -2.67 -0.23 0.00 0.87 0.00 0.00 54.58 52.56 1w44 n ASN 62 Cb 0.43 -0.62 0.05 0.00 -1.02 0.00 0.00 39.78 38.62 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 0.67 -1.10 -2.61 5.41 0.00 0.34 -4.99 120.51 118.23 1w44 n ALA 63 Ca 0.23 0.34 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 1w44 n ALA 63 Cb 0.98 -4.53 -0.12 0.00 0.00 0.00 0.00 19.45 15.78 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 -5.94 2.76 0.31 0.00 -1.52 -1.26 -4.89 119.66 109.13 1w44 s GLN 64 Ca 0.41 -0.63 -0.29 0.00 -1.95 0.00 0.00 55.36 52.90 1w44 s GLN 64 Cb -0.18 -2.52 -0.10 0.00 -0.22 0.00 0.00 33.01 29.99 1w44 s GLN 64 CO 0.51 0.57 1.26 1.03 -0.25 0.00 0.00 175.29 178.41 1w44 s ARG 65 N -0.58 4.43 -0.34 2.91 0.52 -1.26 -1.40 118.95 123.22 1w44 s ARG 65 Ca 0.08 2.10 -0.12 0.00 -0.52 0.00 0.00 55.73 57.28 1w44 s ARG 65 Cb -0.12 -3.11 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 1w44 s ARG 65 CO 0.02 -0.09 0.21 0.42 0.02 0.00 0.00 175.30 175.87 1w44 s ILE 66 N -1.04 4.93 -0.05 1.52 1.01 0.41 -4.91 121.20 123.06 1w44 s ILE 66 Ca 0.48 -0.42 0.13 0.00 0.00 0.00 0.00 60.65 60.84 1w44 s ILE 66 Cb -0.38 -3.57 -0.18 0.00 0.01 0.00 0.00 42.46 38.34 1w44 s ILE 66 CO 0.49 -0.04 0.87 -0.37 0.00 0.00 0.00 174.94 175.89 1w44 h VAL 67 N 5.62 0.89 -3.41 2.92 -1.51 -1.89 -3.42 116.25 115.45 1w44 h VAL 67 Ca -0.30 -2.58 -0.26 0.00 -1.23 0.00 0.00 66.70 62.33 1w44 h VAL 67 Cb 1.14 2.38 -0.32 0.00 -2.13 0.00 0.00 31.29 32.36 1w44 h VAL 67 CO 0.64 0.50 -0.66 0.00 -1.23 0.00 0.00 177.57 176.82 1w44 s ALA 68 N -2.74 -0.10 -0.25 5.19 0.00 -1.26 -0.73 121.76 121.86 1w44 s ALA 68 Ca -0.03 0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.30 1w44 s ALA 68 Cb 0.08 -0.32 0.11 0.00 0.00 0.00 0.00 23.12 23.00 1w44 s ALA 68 CO 0.81 -0.12 0.55 -0.47 0.00 0.00 0.00 175.76 176.53 1w44 s TYR 69 N 0.97 -1.09 0.26 0.00 6.14 0.39 -4.91 117.35 119.11 1w44 s TYR 69 Ca -0.08 1.96 -0.30 0.00 0.64 0.00 0.00 57.07 59.30 1w44 s TYR 69 Cb -0.11 0.58 -0.09 0.00 0.42 0.00 0.00 41.96 42.76 1w44 s TYR 69 CO -0.04 -0.58 1.07 0.15 0.64 0.00 0.00 175.55 176.79 1w44 s LYS 70 N 2.70 4.67 -0.05 4.97 1.02 -1.26 -0.61 119.74 131.18 1w44 s LYS 70 Ca -0.04 1.74 -0.24 0.00 0.02 0.00 0.00 55.97 57.44 1w44 s LYS 70 Cb -0.12 -3.22 -0.12 0.00 -0.52 0.00 0.00 37.83 33.86 1w44 s LYS 70 CO -0.16 0.25 0.67 -1.91 -0.92 0.00 0.00 175.35 173.28 1w44 n GLU 71 N 1.40 0.00 -3.65 1.68 2.13 -1.25 -4.79 120.64 116.16 1w44 n GLU 71 Ca -0.01 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1w44 n GLU 71 Cb 0.45 -0.88 -0.12 0.00 0.27 0.00 0.00 31.44 31.16 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 0.27 0.18 0.01 5.31 2.36 -0.90 -4.97 119.74 121.99 1w44 s LYS 72 Ca 0.54 0.77 -0.02 0.00 -2.55 0.00 0.00 55.97 54.71 1w44 s LYS 72 Cb -0.76 -0.03 -0.04 0.00 -1.05 0.00 0.00 37.83 35.94 1w44 s LYS 72 CO 0.36 -0.31 0.19 -1.12 1.55 0.00 0.00 175.35 176.02 1w44 s SER 73 N 2.45 6.36 -0.03 1.43 0.01 -1.26 -2.19 113.70 120.47 1w44 s SER 73 Ca 0.01 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1w44 s SER 73 Cb -0.12 -1.99 0.03 0.00 0.21 0.00 0.00 66.02 64.15 1w44 s SER 73 CO -0.10 0.24 0.02 -0.69 0.41 0.00 0.00 173.24 173.12 1w44 s VAL 74 N -1.36 0.07 -0.17 3.43 1.01 -0.16 -4.97 120.40 118.24 1w44 s VAL 74 Ca 0.29 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.25 1w44 s VAL 74 Cb -0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1w44 s VAL 74 CO 0.21 0.13 0.49 -0.75 0.00 0.00 0.00 175.10 175.17 1w44 s LYS 75 N 1.14 4.25 0.77 2.72 2.20 -1.26 -0.24 119.74 129.32 1w44 s LYS 75 Ca -0.08 0.41 -0.10 0.00 -0.36 0.00 0.00 55.97 55.84 1w44 s LYS 75 Cb -0.13 -3.51 0.08 0.00 -1.51 0.00 0.00 37.83 32.76 1w44 s LYS 75 CO -0.02 -0.01 1.12 0.00 -0.36 0.00 0.00 175.35 176.07 1w44 s ALA 76 N 1.20 2.83 0.21 3.13 0.00 0.11 -4.96 121.76 124.29 1w44 s ALA 76 Ca 0.24 -0.77 -0.09 0.00 0.00 0.00 0.00 51.96 51.35 1w44 s ALA 76 Cb -0.15 -2.82 0.26 0.00 0.00 0.00 0.00 23.12 20.41 1w44 s ALA 76 CO 0.10 -1.55 1.81 1.49 0.00 0.00 0.00 175.76 177.60 1w44 h GLU 77 N -0.90 0.68 0.00 0.00 4.81 -1.98 -2.05 114.58 115.14 1w44 h GLU 77 Ca -0.45 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1w44 h GLU 77 Cb 1.32 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1w44 h GLU 77 CO 0.63 0.45 0.00 -0.40 -0.73 0.00 0.00 179.01 178.96 1w44 n ASP 78 N -4.78 0.00 0.00 1.04 3.85 -1.26 -4.87 116.55 110.52 1w44 n ASP 78 Ca 0.09 0.37 0.00 0.00 -0.71 0.00 0.00 54.79 54.54 1w44 n ASP 78 Cb 0.18 -0.45 0.00 0.00 -1.35 0.00 0.00 41.12 39.51 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 0.59 2.05 3.75 6.12 0.00 -0.77 -5.00 105.19 111.93 1w44 n GLY 79 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.66 4.86 -0.08 1.61 1.04 -1.26 -4.69 113.70 113.52 1w44 s SER 80 Ca 0.00 2.14 0.05 0.00 0.48 0.00 0.00 55.95 58.62 1w44 s SER 80 Cb 0.00 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 1w44 s SER 80 CO 0.00 -1.80 -0.23 -0.69 0.98 0.00 0.00 173.24 171.50 1w44 s VAL 81 N -2.16 2.19 -0.20 5.02 1.01 -1.26 0.08 120.40 125.08 1w44 s VAL 81 Ca 0.70 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 1w44 s VAL 81 Cb -0.24 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1w44 s VAL 81 CO 0.41 0.56 0.08 -0.55 0.00 0.00 0.00 175.10 175.60 1w44 s SER 82 N 0.04 5.60 -0.09 3.32 0.15 0.66 -4.93 113.70 118.45 1w44 s SER 82 Ca -0.09 0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.63 1w44 s SER 82 Cb -0.15 -1.97 -0.01 0.00 -1.71 0.00 0.00 66.02 62.17 1w44 s SER 82 CO 0.06 0.12 -0.20 -0.69 1.20 0.00 0.00 173.24 173.73 1w44 s VAL 83 N 0.68 2.44 -0.09 4.45 1.01 -1.26 -0.99 120.40 126.63 1w44 s VAL 83 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1w44 s VAL 83 Cb -0.13 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1w44 s VAL 83 CO 0.02 0.56 -0.11 -0.69 0.00 0.00 0.00 175.10 174.87 1w44 s VAL 84 N 0.12 1.14 -0.09 2.92 1.01 -0.93 -2.18 120.40 122.38 1w44 s VAL 84 Ca -0.10 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1w44 s VAL 84 Cb -0.16 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.18 1w44 s VAL 84 CO 0.06 0.37 0.20 -1.58 0.00 0.00 0.00 175.10 174.15 1w44 s GLN 85 N 1.15 0.14 -0.06 2.72 0.74 0.18 -2.12 119.66 122.39 1w44 s GLN 85 Ca -0.05 0.48 0.05 0.00 0.05 0.00 0.00 55.36 55.89 1w44 s GLN 85 Cb -0.14 -0.16 -0.01 0.00 1.10 0.00 0.00 33.01 33.80 1w44 s GLN 85 CO -0.02 -0.18 -0.23 0.08 -0.55 0.00 0.00 175.29 174.38 1w44 s VAL 86 N 1.38 2.19 -0.06 1.34 1.01 0.22 0.19 120.40 126.67 1w44 s VAL 86 Ca -0.08 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 1w44 s VAL 86 Cb -0.11 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.49 1w44 s VAL 86 CO -0.07 0.57 0.14 -0.70 0.00 0.00 0.00 175.10 175.03 1w44 s GLU 87 N -0.13 0.11 -1.47 2.72 2.12 0.48 -0.47 118.70 122.06 1w44 s GLU 87 Ca -0.04 0.29 -0.12 0.00 0.36 0.00 0.00 54.97 55.46 1w44 s GLU 87 Cb -0.14 -0.09 0.08 0.00 0.26 0.00 0.00 34.13 34.25 1w44 s GLU 87 CO 0.04 -0.11 0.76 0.09 -0.54 0.00 0.00 175.26 175.50 1w44 n ASN 88 N 3.76 -4.44 0.00 -1.70 4.13 -0.98 -1.33 115.26 114.70 1w44 n ASN 88 Ca -0.21 -0.62 0.00 0.00 1.68 0.00 0.00 54.58 55.42 1w44 n ASN 88 Cb 0.54 -3.59 0.00 0.00 -1.54 0.00 0.00 39.78 35.19 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 -1.47 1.29 3.34 7.41 0.00 0.09 -5.04 105.19 110.81 1w44 n GLY 89 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.22 1.72 -0.18 1.61 0.40 -0.44 -4.59 117.98 113.28 1w44 s PHE 90 Ca 0.00 -0.54 -0.29 0.00 -0.60 0.00 0.00 56.93 55.50 1w44 s PHE 90 Cb 0.00 -0.82 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 1w44 s PHE 90 CO 0.00 0.34 1.42 1.41 0.70 0.00 0.00 175.22 179.10 1w44 s MET 91 N -3.37 4.06 -0.10 0.44 -2.45 -0.53 -0.39 119.30 116.97 1w44 s MET 91 Ca 0.20 1.68 -0.09 0.00 -1.25 0.00 0.00 55.69 56.23 1w44 s MET 91 Cb -0.02 -3.89 -0.27 0.00 1.25 0.00 0.00 34.83 31.89 1w44 s MET 91 CO 0.07 -0.94 0.47 -0.22 1.05 0.00 0.00 175.02 175.44 1w44 h LYS 92 N 9.23 0.30 -3.88 4.11 1.63 0.17 -3.44 116.57 124.69 1w44 h LYS 92 Ca -0.30 -0.51 -0.23 0.00 -0.85 0.00 0.00 60.65 58.76 1w44 h LYS 92 Cb 1.13 0.19 -0.26 0.00 -0.60 0.00 0.00 32.23 32.68 1w44 h LYS 92 CO 0.99 1.24 -0.72 -0.65 -3.45 0.00 0.00 179.45 176.86 1w44 s GLN 93 N -2.55 0.14 0.00 1.90 -0.21 -0.78 -4.93 119.66 113.23 1w44 s GLN 93 Ca -0.20 -0.18 0.00 0.00 0.02 0.00 0.00 55.36 54.99 1w44 s GLN 93 Cb 0.06 -0.04 0.00 0.00 1.00 0.00 0.00 33.01 34.04 1w44 s GLN 93 CO 0.79 0.00 0.00 0.41 -2.12 0.00 0.00 175.29 174.37 1w44 n GLY 94 N 2.68 0.94 3.32 3.09 0.00 -0.93 -0.65 105.19 113.64 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 -3.07 0.53 0.47 1.61 -3.43 -1.26 -5.02 115.29 105.12 1w44 s HIS 95 Ca 0.00 -0.88 -0.19 0.00 -0.80 0.00 0.00 55.06 53.18 1w44 s HIS 95 Cb 0.00 -0.14 -0.09 0.00 -1.43 0.00 0.00 32.58 30.92 1w44 s HIS 95 CO 0.00 -0.71 0.98 1.03 -2.00 0.00 0.00 174.74 174.04 1w44 s ARG 96 N -4.00 4.04 0.00 -0.38 0.52 -1.26 -4.62 118.95 113.24 1w44 s ARG 96 Ca 0.20 1.13 0.00 0.00 -0.52 0.00 0.00 55.73 56.54 1w44 s ARG 96 Cb 0.04 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.36 1w44 s ARG 96 CO 0.02 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.55 1w44 n GLY 97 N -0.82 -0.53 3.72 -3.53 0.00 0.04 -4.94 105.19 99.13 1w44 n GLY 97 Ca 0.07 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 3.55 -2.62 1.61 0.52 -1.26 -1.53 118.94 119.20 1w44 s TRP 98 Ca 0.00 1.49 0.26 0.00 0.02 0.00 0.00 56.10 57.87 1w44 s TRP 98 Cb 0.00 -3.29 0.59 0.00 -1.15 0.00 0.00 33.47 29.62 1w44 s TRP 98 CO 0.00 -0.72 1.48 1.28 0.02 0.00 0.00 176.95 179.01 1w44 n LEU 99 N 3.63 2.13 -4.20 2.99 4.77 0.86 -4.85 117.00 122.34 1w44 n LEU 99 Ca 0.07 -0.71 -0.20 0.00 -0.03 0.00 0.00 56.01 55.14 1w44 n LEU 99 Cb 0.48 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 1w44 n LEU 99 CO 0.54 0.36 -0.47 0.68 -1.33 0.00 0.00 177.39 177.17 1w44 s VAL 100 N -2.07 1.27 -0.32 4.08 -7.23 -1.25 -4.92 120.40 109.96 1w44 s VAL 100 Ca 0.31 -1.35 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 1w44 s VAL 100 Cb 0.20 -1.20 0.01 0.00 0.56 0.00 0.00 36.38 35.95 1w44 s VAL 100 CO 0.35 -0.17 1.18 -0.62 -0.31 0.00 0.00 175.10 175.53 1w44 s ASP 101 N -1.75 6.80 -0.01 4.85 2.15 -1.26 -4.87 116.67 122.58 1w44 s ASP 101 Ca 0.00 1.07 0.18 0.00 0.43 0.00 0.00 52.55 54.23 1w44 s ASP 101 Cb -0.10 -2.54 -0.21 0.00 -0.30 0.00 0.00 42.92 39.77 1w44 s ASP 101 CO 0.03 -1.00 0.67 0.18 -0.17 0.00 0.00 175.17 174.88 1w44 n LEU 102 N 7.27 0.64 -0.07 -1.34 4.77 -1.26 -4.74 117.00 122.27 1w44 n LEU 102 Ca 0.13 -0.39 -0.09 0.00 -0.03 0.00 0.00 56.01 55.63 1w44 n LEU 102 Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1w44 n LEU 102 CO 0.62 0.16 -0.94 0.35 -1.33 0.00 0.00 177.39 176.25 1w44 n THR 103 N -1.57 0.78 -3.11 -5.08 -2.24 -1.26 -4.88 114.28 96.93 1w44 n THR 103 Ca 0.02 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1w44 n THR 103 Cb 0.32 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 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 2.79 1.37 0.00 3.38 0.00 -1.26 -2.30 105.19 109.17 1w44 n GLY 104 Ca -0.24 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.27 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 12.73 0.02 -2.95 1.61 1.02 -1.26 -4.45 120.64 127.36 1w44 n GLU 105 Ca 0.00 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.70 1w44 n GLU 105 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.98 5.12 0.39 -4.62 2.96 -0.97 -4.97 118.68 113.60 1w44 s LEU 106 Ca 0.15 -2.52 0.08 0.00 -0.22 0.00 0.00 54.13 51.62 1w44 s LEU 106 Cb 0.19 -2.39 -0.06 0.00 0.50 0.00 0.00 46.19 44.42 1w44 s LEU 106 CO 0.53 -0.89 0.05 0.68 -1.32 0.00 0.00 176.35 175.40 1w44 s VAL 107 N 2.06 2.24 -0.71 1.68 -7.23 -1.26 -4.74 120.40 112.43 1w44 s VAL 107 Ca 0.37 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1w44 s VAL 107 Cb -0.04 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.97 1w44 s VAL 107 CO -0.05 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1w44 n GLY 108 N -1.03 0.89 3.97 2.32 0.00 -1.26 -4.93 105.19 105.14 1w44 n GLY 108 Ca -0.04 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.79 2.26 -4.65 0.00 7.64 -1.26 -4.87 113.62 110.96 1w44 n SER 110 Ca -0.01 -3.08 -0.49 0.00 1.01 0.00 0.00 58.87 56.30 1w44 n SER 110 Cb 0.58 -0.67 -0.05 0.00 -1.01 0.00 0.00 64.21 63.05 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 1.59 1.84 -1.68 1.43 -0.02 -1.26 -4.24 135.00 132.66 1w44 n PRO 111 Ca 0.25 0.67 -0.43 0.00 -2.02 0.00 0.00 63.50 61.97 1w44 n PRO 111 Cb 0.42 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1w44 n PRO 111 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1w44 n VAL 112 N 3.56 0.56 -0.02 -1.45 3.14 -0.78 -0.80 118.33 122.54 1w44 n VAL 112 Ca 0.19 -0.10 -0.06 0.00 -2.96 0.00 0.00 64.34 61.41 1w44 n VAL 112 Cb 0.25 -2.19 -0.13 0.00 -1.06 0.00 0.00 33.84 30.72 1w44 n VAL 112 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1w44 n VAL 113 N 5.10 1.41 -3.62 1.55 3.14 0.04 -1.22 118.33 124.73 1w44 n VAL 113 Ca 0.19 -0.77 -0.03 0.00 -2.96 0.00 0.00 64.34 60.77 1w44 n VAL 113 Cb 0.38 -0.84 -0.01 0.00 -1.06 0.00 0.00 33.84 32.31 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 -1.98 -0.04 1.55 0.00 -1.22 -2.96 121.76 114.39 1w44 s ALA 114 Ca -0.05 0.88 0.03 0.00 0.00 0.00 0.00 51.96 52.82 1w44 s ALA 114 Cb 0.08 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.51 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 -2.75 1.47 -0.18 0.00 2.12 -1.26 -0.41 118.70 117.69 1w44 s GLU 115 Ca 0.11 -0.44 -0.13 0.00 0.36 0.00 0.00 54.97 54.87 1w44 s GLU 115 Cb 0.01 -1.28 0.06 0.00 0.26 0.00 0.00 34.13 33.18 1w44 s GLU 115 CO -0.04 0.12 0.46 0.12 -0.54 0.00 0.00 175.26 175.39 1w44 s PHE 116 N 0.31 -0.61 -1.60 5.30 5.36 0.35 -4.91 117.98 122.18 1w44 s PHE 116 Ca -0.07 1.36 -0.02 0.00 -0.96 0.00 0.00 56.93 57.23 1w44 s PHE 116 Cb -0.12 0.26 0.01 0.00 -0.34 0.00 0.00 43.02 42.83 1w44 s PHE 116 CO 0.02 -0.32 0.22 0.41 -1.46 0.00 0.00 175.22 174.09 1w44 n GLY 117 N 3.65 -0.51 1.89 13.12 0.00 -1.26 -1.63 105.19 120.45 1w44 n GLY 117 Ca -0.19 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.16 0.52 3.21 -0.02 0.00 -1.26 -4.86 105.19 101.61 1w44 n GLY 118 Ca -0.18 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 1.62 0.04 1.61 3.76 -0.64 -5.13 115.29 114.55 1w44 s HIS 119 Ca 0.00 -0.35 -0.17 0.00 -0.15 0.00 0.00 55.06 54.39 1w44 s HIS 119 Cb 0.00 -0.98 -0.06 0.00 1.11 0.00 0.00 32.58 32.65 1w44 s HIS 119 CO 0.00 0.06 0.49 1.03 -0.85 0.00 0.00 174.74 175.47 1w44 s ARG 120 N -1.02 4.06 0.04 1.40 0.52 -1.26 -0.50 118.95 122.19 1w44 s ARG 120 Ca 0.06 0.58 0.08 0.00 -0.52 0.00 0.00 55.73 55.93 1w44 s ARG 120 Cb -0.08 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 1w44 s ARG 120 CO 0.01 0.67 -0.22 0.71 0.02 0.00 0.00 175.30 176.49 1w44 s TYR 121 N -1.10 2.46 0.26 -0.53 2.02 0.46 -4.99 117.35 115.93 1w44 s TYR 121 Ca 0.26 -0.32 -0.10 0.00 -0.37 0.00 0.00 57.07 56.54 1w44 s TYR 121 Cb -0.18 -1.44 -0.07 0.00 -0.40 0.00 0.00 41.96 39.87 1w44 s TYR 121 CO 0.16 0.18 0.59 0.00 -1.57 0.00 0.00 175.55 174.92 1w44 s ALA 122 N -0.85 3.53 1.05 3.71 0.00 -1.26 -0.78 121.76 127.16 1w44 s ALA 122 Ca 0.13 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.72 1w44 s ALA 122 Cb -0.10 -2.48 0.13 0.00 0.00 0.00 0.00 23.12 20.67 1w44 s ALA 122 CO 0.03 0.41 0.63 -1.13 0.00 0.00 0.00 175.76 175.70 1w44 n SER 123 N -0.38 -0.65 0.00 0.00 3.41 0.02 -4.60 113.62 111.42 1w44 n SER 123 Ca 0.01 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 1w44 n SER 123 Cb 0.53 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.21 -1.12 3.59 5.00 0.00 0.28 -4.74 105.19 107.99 1w44 n GLY 124 Ca 0.08 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 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 3.81 -0.21 1.61 -2.45 -1.26 -0.82 119.30 119.98 1w44 s MET 125 Ca 0.00 -0.41 -0.04 0.00 -1.25 0.00 0.00 55.69 54.00 1w44 s MET 125 Cb 0.00 -3.08 -0.01 0.00 1.25 0.00 0.00 34.83 32.99 1w44 s MET 125 CO 0.00 0.30 -0.05 0.08 1.05 0.00 0.00 175.02 176.40 1w44 s VAL 126 N 0.27 3.36 -0.20 10.11 1.01 0.05 0.09 120.40 135.10 1w44 s VAL 126 Ca 0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 1w44 s VAL 126 Cb -0.13 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1w44 s VAL 126 CO 0.01 0.43 0.08 -0.63 0.00 0.00 0.00 175.10 175.00 1w44 s ILE 127 N 1.35 4.83 -0.31 2.22 1.01 -0.90 -0.69 121.20 128.71 1w44 s ILE 127 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 1w44 s ILE 127 Cb -0.14 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 1w44 s ILE 127 CO -0.03 0.42 0.15 -0.69 0.00 0.00 0.00 174.94 174.79 1w44 s VAL 128 N 0.68 4.62 0.00 2.92 1.01 0.27 -0.76 120.40 129.14 1w44 s VAL 128 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1w44 s VAL 128 Cb -0.13 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1w44 s VAL 128 CO 0.02 0.09 0.00 1.07 0.00 0.00 0.00 175.10 176.28 1w44 n THR 129 N 4.98 0.00 0.00 3.92 5.66 -0.30 -1.18 114.28 127.36 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 3.22 4.03 1.09 0.00 -1.26 -1.96 105.19 110.31 1w44 n GLY 130 Ca 0.00 -1.94 -0.21 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.64 2.08 0.00 1.61 3.01 -1.26 -4.50 119.74 118.04 1w44 s LYS 131 Ca 0.00 -1.60 0.00 0.00 -1.01 0.00 0.00 55.97 53.36 1w44 s LYS 131 Cb 0.00 -2.56 0.00 0.00 -1.01 0.00 0.00 37.83 34.26 1w44 s LYS 131 CO 0.00 -1.08 0.00 0.41 0.51 0.00 0.00 175.35 175.19 1w44 n GLY 132 N -2.43 -2.95 0.10 -3.33 0.00 -1.26 -4.76 105.19 90.56 1w44 n GLY 132 Ca 0.17 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 1w44 n GLY 132 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1w44 h ASN 133 N 0.00 0.00 -2.01 1.61 2.35 -1.96 -3.47 115.58 112.10 1w44 h ASN 133 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 1w44 h ASN 133 Cb 0.00 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.40 1w44 h ASN 133 CO 0.00 0.69 1.00 -1.20 -1.65 0.00 0.00 177.43 176.27 1w44 n SER 134 N -3.07 3.21 -4.72 5.81 7.64 -1.26 -4.90 113.62 116.33 1w44 n SER 134 Ca -0.06 1.01 -0.42 0.00 1.01 0.00 0.00 58.87 60.41 1w44 n SER 134 Cb 0.86 -1.35 -0.03 0.00 -1.01 0.00 0.00 64.21 62.68 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 3.31 2.49 -0.07 0.23 0.00 -1.26 -4.98 107.32 107.03 1w44 s GLY 135 Ca 0.90 0.91 -0.25 0.00 0.00 0.00 0.00 44.72 46.28 1w44 s GLY 135 CO 0.50 1.98 0.94 0.50 0.00 0.00 0.00 173.10 177.02 1w44 h LYS 136 N 6.12 0.15 -0.47 2.90 1.57 -1.95 -3.20 116.57 121.69 1w44 h LYS 136 Ca -0.43 -0.20 0.08 0.00 -1.87 0.00 0.00 60.65 58.24 1w44 h LYS 136 Cb 1.21 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.52 1w44 h LYS 136 CO 0.79 0.99 0.06 1.15 -0.57 0.00 0.00 179.45 181.87 1w44 h THR 137 N -0.60 0.70 -0.23 -0.16 2.02 -1.96 0.00 112.91 112.67 1w44 h THR 137 Ca -0.04 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1w44 h THR 137 Cb 1.12 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1w44 h THR 137 CO 0.06 0.03 0.03 -0.65 0.37 0.00 0.00 175.52 175.36 1w44 h PRO 138 N 0.18 0.33 -0.15 6.66 0.11 -1.90 -2.66 132.00 134.59 1w44 h PRO 138 Ca 0.24 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.12 1w44 h PRO 138 Cb 0.33 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.38 1w44 h PRO 138 CO -0.34 0.34 -0.58 1.25 -0.21 0.00 0.00 178.00 178.46 1w44 h LEU 139 N 0.33 0.77 -1.33 2.35 7.12 -1.19 -2.49 115.31 120.86 1w44 h LEU 139 Ca 0.08 -0.62 -0.04 0.00 0.13 0.00 0.00 57.88 57.43 1w44 h LEU 139 Cb 0.18 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.07 1w44 h LEU 139 CO 0.00 1.25 0.01 -0.37 -0.13 0.00 0.00 178.44 179.20 1w44 h VAL 140 N 0.32 1.18 -0.15 1.05 -1.51 -0.76 -0.98 116.25 115.40 1w44 h VAL 140 Ca -0.03 -0.69 -0.16 0.00 -1.23 0.00 0.00 66.70 64.59 1w44 h VAL 140 Cb 1.21 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 1w44 h VAL 140 CO 0.12 0.24 -0.57 0.45 -1.23 0.00 0.00 177.57 176.58 1w44 h HIS 141 N 0.44 0.58 -0.45 5.19 3.86 -1.48 -0.76 115.15 122.54 1w44 h HIS 141 Ca 0.10 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 59.01 1w44 h HIS 141 Cb 0.28 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1w44 h HIS 141 CO 0.01 0.92 -0.07 0.00 0.86 0.00 0.00 177.93 179.65 1w44 h ALA 142 N 1.03 0.62 -0.63 2.45 0.00 -0.95 -1.34 119.26 120.43 1w44 h ALA 142 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1w44 h ALA 142 Cb 1.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1w44 h ALA 142 CO 0.10 0.48 0.14 -0.07 0.00 0.00 0.00 179.25 179.90 1w44 h LEU 143 N 0.68 0.97 -0.36 0.00 3.38 -1.13 0.12 115.31 118.97 1w44 h LEU 143 Ca 0.12 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1w44 h LEU 143 Cb 0.60 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1w44 h LEU 143 CO 0.04 0.96 0.17 1.23 0.09 0.00 0.00 178.44 180.93 1w44 h GLY 144 N 0.94 0.48 0.89 0.83 0.00 -0.97 0.40 103.07 105.63 1w44 h GLY 144 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1w44 h GLY 144 CO 0.00 0.09 0.08 -2.09 0.00 0.00 0.00 176.54 174.62 1w44 h GLU 145 N 0.35 0.40 -0.56 4.80 4.22 -0.89 -0.56 114.58 122.35 1w44 h GLU 145 Ca 0.15 -0.09 -0.07 0.00 0.08 0.00 0.00 59.36 59.44 1w44 h GLU 145 Cb 0.07 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1w44 h GLU 145 CO -0.11 0.48 0.08 0.00 -2.18 0.00 0.00 179.01 177.27 1w44 h ALA 146 N 0.90 0.74 0.00 2.92 0.00 -0.74 -2.23 119.26 120.86 1w44 h ALA 146 Ca 0.08 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1w44 h ALA 146 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1w44 h ALA 146 CO -0.00 0.50 -0.67 -0.07 0.00 0.00 0.00 179.25 179.01 1w44 h LEU 147 N 0.82 0.00 -0.65 0.00 3.38 -0.94 -2.98 115.31 114.94 1w44 h LEU 147 Ca 0.17 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1w44 h LEU 147 Cb 0.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1w44 h LEU 147 CO 0.01 0.67 0.38 1.23 0.09 0.00 0.00 178.44 180.82 1w44 h GLY 148 N 2.67 0.95 0.00 0.83 0.00 -0.78 -3.46 103.07 103.27 1w44 h GLY 148 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1w44 h GLY 148 CO 0.09 0.20 0.00 0.61 0.00 0.00 0.00 176.54 177.43 1w44 n GLY 149 N -1.28 1.58 0.15 4.60 0.00 -0.87 -1.51 105.19 107.87 1w44 n GLY 149 Ca 0.07 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.40 1w44 n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w44 h LYS 150 N 0.00 0.00 -5.97 1.61 1.57 -1.90 -3.46 116.57 108.42 1w44 h LYS 150 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1w44 h LYS 150 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1w44 h LYS 150 CO 0.00 0.00 -0.51 -0.51 -0.57 0.00 0.00 179.45 177.86 1w44 s ASP 151 N -5.24 6.21 0.61 0.86 -0.00 -0.57 -5.10 116.67 113.45 1w44 s ASP 151 Ca 0.08 0.21 -0.15 0.00 -0.00 0.00 0.00 52.55 52.70 1w44 s ASP 151 Cb 0.09 -1.87 -0.03 0.00 -0.00 0.00 0.00 42.92 41.11 1w44 s ASP 151 CO 0.64 0.16 1.06 -0.54 -0.00 0.00 0.00 175.17 176.49 1w44 s LYS 152 N -2.56 3.25 0.15 8.23 1.02 -1.26 -4.51 119.74 124.05 1w44 s LYS 152 Ca 0.34 1.18 0.05 0.00 0.02 0.00 0.00 55.97 57.55 1w44 s LYS 152 Cb -0.13 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 1w44 s LYS 152 CO 0.27 -0.87 0.13 1.52 -0.92 0.00 0.00 175.35 175.49 1w44 s TYR 153 N -2.53 3.17 -0.06 3.18 1.13 -1.26 -4.76 117.35 116.21 1w44 s TYR 153 Ca 0.63 0.01 -0.10 0.00 -1.41 0.00 0.00 57.07 56.20 1w44 s TYR 153 Cb -0.16 -1.54 -0.05 0.00 -1.10 0.00 0.00 41.96 39.12 1w44 s TYR 153 CO 0.39 0.52 0.25 0.00 -2.51 0.00 0.00 175.55 174.20 1w44 s ALA 154 N -1.69 3.82 -0.16 9.51 0.00 -0.50 -4.98 121.76 127.75 1w44 s ALA 154 Ca 0.31 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1w44 s ALA 154 Cb -0.10 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 20.90 1w44 s ALA 154 CO 0.23 0.58 -0.18 0.99 0.00 0.00 0.00 175.76 177.38 1w44 s THR 155 N -1.08 2.34 -0.23 0.00 2.01 -1.26 -0.29 115.64 117.13 1w44 s THR 155 Ca 0.19 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.25 1w44 s THR 155 Cb -0.14 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 1w44 s THR 155 CO 0.09 0.53 0.07 -0.69 -0.69 0.00 0.00 174.62 173.93 1w44 s VAL 156 N 1.00 4.53 -0.12 3.82 1.01 0.15 -4.98 120.40 125.82 1w44 s VAL 156 Ca -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1w44 s VAL 156 Cb -0.15 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1w44 s VAL 156 CO -0.05 0.38 -0.08 -0.13 0.00 0.00 0.00 175.10 175.22 1w44 s ARG 157 N 1.16 3.25 -0.21 2.72 0.52 -1.26 -0.93 118.95 124.20 1w44 s ARG 157 Ca 0.05 -0.59 -0.15 0.00 -0.52 0.00 0.00 55.73 54.52 1w44 s ARG 157 Cb -0.14 -2.70 0.06 0.00 0.52 0.00 0.00 34.95 32.68 1w44 s ARG 157 CO 0.03 0.38 0.52 0.12 0.02 0.00 0.00 175.30 176.38 1w44 s PHE 158 N -0.05 -0.68 -1.28 -0.53 5.36 -0.90 -4.02 117.98 115.88 1w44 s PHE 158 Ca -0.00 1.52 -0.05 0.00 -0.96 0.00 0.00 56.93 57.44 1w44 s PHE 158 Cb -0.14 0.30 0.01 0.00 -0.34 0.00 0.00 43.02 42.86 1w44 s PHE 158 CO 0.03 -0.35 1.09 0.41 -1.46 0.00 0.00 175.22 174.94 1w44 n GLY 159 N 3.55 -0.45 3.16 13.12 0.00 -0.64 -4.34 105.19 119.59 1w44 n GLY 159 Ca -0.18 0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.86 1.11 -1.61 1.61 0.41 -1.26 -4.68 118.70 108.43 1w44 s GLU 160 Ca 0.30 -0.75 -0.10 0.00 -0.41 0.00 0.00 54.97 54.02 1w44 s GLU 160 Cb -0.13 -1.14 -0.07 0.00 -1.78 0.00 0.00 34.13 31.01 1w44 s GLU 160 CO 0.73 0.29 2.92 -0.35 -0.49 0.00 0.00 175.26 178.37 1w44 n PRO 161 N 2.09 3.78 -4.35 0.39 -0.04 -1.26 -4.73 135.00 130.88 1w44 n PRO 161 Ca -0.17 -2.30 -0.18 0.00 -0.04 0.00 0.00 63.50 60.81 1w44 n PRO 161 Cb 0.54 -2.79 -0.10 0.00 -0.04 0.00 0.00 33.50 31.11 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 0.00 2.42 0.34 1.53 1.43 -1.26 -5.11 118.68 118.03 1w44 s LEU 162 Ca 0.69 -1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.37 1w44 s LEU 162 Cb 0.18 -0.48 -0.12 0.00 0.03 0.00 0.00 46.19 45.81 1w44 s LEU 162 CO -0.06 -0.35 1.44 -1.54 0.23 0.00 0.00 176.35 176.07 1w44 n SER 163 N -0.42 3.43 0.00 2.29 3.41 -1.26 -2.67 113.62 118.40 1w44 n SER 163 Ca -0.07 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1w44 n SER 163 Cb 0.62 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1w44 n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w44 n GLY 164 N 0.97 0.29 3.68 5.00 0.00 -1.26 -4.97 105.19 108.90 1w44 n GLY 164 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.74 3.48 0.43 1.61 2.02 -1.09 -5.02 117.35 117.04 1w44 s TYR 165 Ca 0.00 1.49 -0.24 0.00 -0.37 0.00 0.00 57.07 57.95 1w44 s TYR 165 Cb 0.00 -3.14 -0.08 0.00 -0.40 0.00 0.00 41.96 38.34 1w44 s TYR 165 CO 0.00 -0.24 1.15 1.21 -1.57 0.00 0.00 175.55 176.10 1w44 s ASN 166 N 1.11 6.39 0.00 2.29 2.47 -1.26 -4.82 114.94 121.12 1w44 s ASN 166 Ca 0.45 2.27 0.00 0.00 0.42 0.00 0.00 52.86 56.00 1w44 s ASN 166 Cb -0.18 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.02 1w44 s ASN 166 CO 0.16 -0.76 0.67 0.35 -3.72 0.00 0.00 177.10 173.80 1w44 n THR 167 N -0.23 0.45 -3.19 -5.21 -2.24 -1.26 -1.62 114.28 100.98 1w44 n THR 167 Ca 0.06 -0.53 -0.42 0.00 -2.27 0.00 0.00 64.05 60.90 1w44 n THR 167 Cb 0.48 0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.45 6.36 0.39 3.42 -1.08 -1.26 -4.84 116.67 119.21 1w44 s ASP 168 Ca 0.00 0.03 0.13 0.00 -0.52 0.00 0.00 52.55 52.19 1w44 s ASP 168 Cb 0.00 -2.29 0.96 0.00 -1.46 0.00 0.00 42.92 40.13 1w44 s ASP 168 CO 0.00 -0.54 1.86 0.15 0.52 0.00 0.00 175.17 177.16 1w44 h PHE 169 N 8.47 0.67 0.00 -5.34 3.57 -1.99 -1.12 116.94 121.20 1w44 h PHE 169 Ca -0.27 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.18 1w44 h PHE 169 Cb 1.12 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1w44 h PHE 169 CO 0.73 0.21 -0.32 -0.91 -2.23 0.00 0.00 178.31 175.79 1w44 h ASN 170 N 0.53 0.00 0.48 0.41 2.35 -1.96 -1.92 115.58 115.47 1w44 h ASN 170 Ca 0.46 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.96 1w44 h ASN 170 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1w44 h ASN 170 CO -0.20 0.32 -1.10 0.58 -1.65 0.00 0.00 177.43 175.39 1w44 h VAL 171 N 0.00 1.44 -0.28 2.81 2.07 -1.65 -3.20 116.25 117.43 1w44 h VAL 171 Ca -0.00 -2.74 0.02 0.00 0.82 0.00 0.00 66.70 64.79 1w44 h VAL 171 Cb 0.80 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 33.24 1w44 h VAL 171 CO 0.04 0.81 0.15 0.15 0.02 0.00 0.00 177.57 178.74 1w44 h PHE 172 N 0.15 0.28 0.00 1.57 3.57 -0.90 -1.42 116.94 120.19 1w44 h PHE 172 Ca -0.11 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 1w44 h PHE 172 Cb 1.78 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.42 1w44 h PHE 172 CO 0.06 0.16 -0.31 -0.39 -2.23 0.00 0.00 178.31 175.60 1w44 h VAL 173 N 0.31 1.12 -0.33 1.41 -1.51 -1.43 -0.75 116.25 115.09 1w44 h VAL 173 Ca 0.11 -1.10 -0.06 0.00 -1.23 0.00 0.00 66.70 64.42 1w44 h VAL 173 Cb 0.02 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 1w44 h VAL 173 CO -0.07 0.31 -0.04 -0.78 -1.23 0.00 0.00 177.57 175.76 1w44 h ASP 174 N 0.00 0.60 -0.42 4.19 1.82 -1.46 0.26 116.42 121.42 1w44 h ASP 174 Ca -0.00 -0.34 -0.02 0.00 -0.39 0.00 0.00 57.03 56.27 1w44 h ASP 174 Cb 0.59 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 1w44 h ASP 174 CO 0.04 0.80 0.17 0.44 -1.61 0.00 0.00 179.24 179.07 1w44 h ASP 175 N 0.39 0.58 -0.35 2.28 3.32 -0.78 -1.26 116.42 120.60 1w44 h ASP 175 Ca 0.09 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1w44 h ASP 175 Cb 0.51 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1w44 h ASP 175 CO 0.02 0.59 0.17 0.40 -1.72 0.00 0.00 179.24 178.70 1w44 h ILE 176 N 0.53 1.16 -0.31 0.35 2.04 -1.00 0.25 117.51 120.53 1w44 h ILE 176 Ca 0.14 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1w44 h ILE 176 Cb 0.19 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1w44 h ILE 176 CO -0.01 0.17 0.19 0.00 0.00 0.00 0.00 178.15 178.50 1w44 h ALA 177 N 1.02 0.39 -0.72 1.87 0.00 -0.82 -0.58 119.26 120.42 1w44 h ALA 177 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1w44 h ALA 177 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1w44 h ALA 177 CO -0.01 -0.16 0.40 -0.09 0.00 0.00 0.00 179.25 179.38 1w44 h ARG 178 N 0.39 1.00 -0.37 0.00 2.43 -1.06 -1.13 114.38 115.63 1w44 h ARG 178 Ca 0.12 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1w44 h ARG 178 Cb -0.02 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1w44 h ARG 178 CO -0.05 0.74 0.21 0.00 -1.51 0.00 0.00 179.97 179.36 1w44 h ALA 179 N 1.21 0.48 0.00 2.80 0.00 -0.39 -1.93 119.26 121.42 1w44 h ALA 179 Ca 0.26 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1w44 h ALA 179 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1w44 h ALA 179 CO -0.04 0.00 -0.42 0.52 0.00 0.00 0.00 179.25 179.31 1w44 h MET 180 N 0.48 0.00 0.00 0.00 2.86 -0.88 0.14 114.93 117.52 1w44 h MET 180 Ca 0.13 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.68 1w44 h MET 180 Cb 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1w44 h MET 180 CO -0.02 0.42 -0.43 -0.07 1.06 0.00 0.00 176.91 177.87 1w44 h LEU 181 N 0.00 0.00 -0.63 1.22 3.38 -0.88 -3.37 115.31 115.03 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 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1w44 h LEU 181 CO 0.05 0.43 0.00 0.00 0.09 0.00 0.00 178.44 179.01 1w44 n GLN 182 N -3.43 1.93 -3.90 1.13 6.02 -0.75 -5.01 117.38 113.36 1w44 n GLN 182 Ca 0.00 -0.32 -0.11 0.00 -0.01 0.00 0.00 57.00 56.57 1w44 n GLN 182 Cb 0.59 -0.82 -0.11 0.00 1.02 0.00 0.00 30.24 30.92 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 -0.37 0.10 0.08 1.08 3.76 0.47 -5.05 115.29 115.35 1w44 s HIS 183 Ca 0.00 -0.22 0.06 0.00 -0.15 0.00 0.00 55.06 54.76 1w44 s HIS 183 Cb 0.00 -0.08 -0.22 0.00 1.11 0.00 0.00 32.58 33.38 1w44 s HIS 183 CO 0.00 -0.23 1.12 -0.09 -0.85 0.00 0.00 174.74 174.69 1w44 h ARG 184 N 4.60 0.04 -4.99 1.40 2.43 -1.90 -3.42 114.38 112.54 1w44 h ARG 184 Ca -0.30 -0.07 -0.65 0.00 -0.81 0.00 0.00 59.98 58.15 1w44 h ARG 184 Cb 1.20 0.03 -0.35 0.00 -0.42 0.00 0.00 29.97 30.43 1w44 h ARG 184 CO 0.41 0.93 -0.85 0.08 -1.51 0.00 0.00 179.97 179.03 1w44 s VAL 185 N -2.68 1.88 -0.02 0.20 1.01 -1.26 -0.46 120.40 119.06 1w44 s VAL 185 Ca -0.01 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1w44 s VAL 185 Cb 0.09 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 1w44 s VAL 185 CO 0.83 0.51 -0.12 -0.63 0.00 0.00 0.00 175.10 175.69 1w44 s ILE 186 N 1.10 0.97 -0.07 2.22 1.01 0.29 -1.41 121.20 125.31 1w44 s ILE 186 Ca -0.01 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1w44 s ILE 186 Cb -0.14 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 1w44 s ILE 186 CO -0.07 0.29 -0.14 -0.69 0.00 0.00 0.00 174.94 174.33 1w44 s VAL 187 N 0.03 3.04 -0.22 2.92 1.01 0.61 0.64 120.40 128.42 1w44 s VAL 187 Ca -0.01 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1w44 s VAL 187 Cb -0.08 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.12 1w44 s VAL 187 CO 0.01 0.57 -0.14 -0.63 0.00 0.00 0.00 175.10 174.90 1w44 s ILE 188 N -0.41 2.27 -0.54 2.22 1.01 0.84 -0.67 121.20 125.92 1w44 s ILE 188 Ca 0.05 -1.16 -0.17 0.00 0.00 0.00 0.00 60.65 59.37 1w44 s ILE 188 Cb -0.12 -2.11 0.11 0.00 0.01 0.00 0.00 42.46 40.35 1w44 s ILE 188 CO 0.02 0.30 0.53 -0.62 0.00 0.00 0.00 174.94 175.17 1w44 s ASP 189 N 1.24 6.18 0.00 3.58 -1.08 -0.11 -3.12 116.67 123.37 1w44 s ASP 189 Ca -0.00 -1.59 0.00 0.00 -0.52 0.00 0.00 52.55 50.44 1w44 s ASP 189 Cb -0.16 -2.23 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1w44 s ASP 189 CO -0.09 -0.87 0.00 -0.24 0.52 0.00 0.00 175.17 174.49 1w44 n SER 190 N 5.50 -0.81 -0.02 -0.34 2.88 -1.26 -2.12 113.62 117.44 1w44 n SER 190 Ca -0.12 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.55 1w44 n SER 190 Cb 0.41 -0.40 0.42 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.35 -0.32 2.46 7.94 -0.69 -4.22 117.00 122.52 1w44 n LEU 191 Ca 0.00 0.16 0.18 0.00 -1.11 0.00 0.00 56.01 55.24 1w44 n LEU 191 Cb 0.00 -0.32 0.39 0.00 0.53 0.00 0.00 43.42 44.02 1w44 n LEU 191 CO 0.00 0.08 1.08 0.11 -1.11 0.00 0.00 177.39 177.55 1w44 h LYS 192 N 0.12 0.37 0.00 1.96 1.57 -1.92 -0.55 116.57 118.13 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 0.48 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1w44 h LYS 192 CO 0.00 0.24 -0.15 0.09 -0.57 0.00 0.00 179.45 179.07 1w44 n ASN 193 N -5.04 0.51 0.12 0.86 4.13 -1.26 -2.91 115.26 111.67 1w44 n ASN 193 Ca 0.27 0.40 0.03 0.00 1.68 0.00 0.00 54.58 56.96 1w44 n ASN 193 Cb 0.81 -0.45 0.01 0.00 -1.54 0.00 0.00 39.78 38.61 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 0.76 -2.01 2.41 -1.51 -1.38 -3.51 116.25 111.00 1w44 h VAL 194 Ca 0.00 -2.11 -0.64 0.00 -1.23 0.00 0.00 66.70 62.71 1w44 h VAL 194 Cb 0.64 2.33 -0.14 0.00 -2.13 0.00 0.00 31.29 31.99 1w44 h VAL 194 CO 0.00 0.43 1.02 -0.63 -1.23 0.00 0.00 177.57 177.17 1w44 s ILE 195 N -2.97 4.36 -0.29 7.19 -1.09 -1.05 -4.84 121.20 122.49 1w44 s ILE 195 Ca 0.03 -1.05 -0.18 0.00 -2.23 0.00 0.00 60.65 57.22 1w44 s ILE 195 Cb 0.08 -4.87 0.18 0.00 -1.58 0.00 0.00 42.46 36.27 1w44 s ILE 195 CO 0.75 -1.66 1.19 -0.63 -1.23 0.00 0.00 174.94 173.36 1w44 s ILE 207 N 3.77 0.00 0.91 2.92 1.01 -1.26 -5.03 121.20 123.53 1w44 s ILE 207 Ca 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 1w44 s ILE 207 Cb -0.05 -1.00 0.14 0.00 0.01 0.00 0.00 42.46 41.56 1w44 s ILE 207 CO -0.06 0.00 1.10 -0.94 0.00 0.00 0.00 174.94 175.04 1w44 s SER 208 N 0.87 3.17 0.12 3.58 1.04 -1.26 -4.84 113.70 116.39 1w44 s SER 208 Ca -0.05 1.76 -0.18 0.00 0.48 0.00 0.00 55.95 57.97 1w44 s SER 208 Cb -0.03 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 1w44 s SER 208 CO -0.12 -2.87 1.72 -0.09 0.98 0.00 0.00 173.24 172.85 1w44 h ARG 209 N -1.71 0.44 -0.80 4.02 2.43 -1.82 -1.77 114.38 115.18 1w44 h ARG 209 Ca -0.48 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 58.66 1w44 h ARG 209 Cb 1.28 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 1w44 h ARG 209 CO 0.50 0.39 0.53 0.78 -1.51 0.00 0.00 179.97 180.65 1w44 h GLY 210 N 0.38 1.12 1.50 2.80 0.00 -1.28 0.94 103.07 108.53 1w44 h GLY 210 Ca 0.11 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1w44 h GLY 210 CO -0.02 0.36 -0.46 0.00 0.00 0.00 0.00 176.54 176.43 1w44 h ALA 211 N 1.52 0.81 -0.27 3.60 0.00 -1.73 0.36 119.26 123.55 1w44 h ALA 211 Ca 0.31 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1w44 h ALA 211 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1w44 h ALA 211 CO -0.08 0.66 -0.18 0.35 0.00 0.00 0.00 179.25 180.00 1w44 h PHE 212 N 0.44 0.69 -0.81 0.00 3.57 -0.74 -2.48 116.94 117.62 1w44 h PHE 212 Ca 0.03 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1w44 h PHE 212 Cb 0.97 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 1w44 h PHE 212 CO 0.04 0.87 0.51 -0.44 -2.23 0.00 0.00 178.31 177.06 1w44 h ASP 213 N 0.32 0.94 0.06 0.41 3.32 -0.58 -2.46 116.42 118.43 1w44 h ASP 213 Ca 0.05 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1w44 h ASP 213 Cb 0.72 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1w44 h ASP 213 CO 0.05 0.70 -0.09 0.25 -1.72 0.00 0.00 179.24 178.43 1w44 h LEU 214 N 1.10 -0.25 -1.46 1.55 5.85 -0.73 0.32 115.31 121.69 1w44 h LEU 214 Ca 0.29 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.08 1w44 h LEU 214 Cb -0.09 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1w44 h LEU 214 CO -0.06 -0.14 0.41 -0.07 -0.34 0.00 0.00 178.44 178.24 1w44 h LEU 215 N -0.19 0.60 0.00 2.25 -0.00 -1.32 -0.80 115.31 115.85 1w44 h LEU 215 Ca 0.01 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1w44 h LEU 215 Cb 0.20 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 1w44 h LEU 215 CO -0.05 0.41 -0.53 0.77 -0.00 0.00 0.00 178.44 179.04 1w44 h SER 216 N 0.70 0.00 0.04 -0.43 4.64 -0.95 -3.39 113.55 114.16 1w44 h SER 216 Ca 0.26 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.20 1w44 h SER 216 Cb 0.14 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.17 1w44 h SER 216 CO -0.07 0.14 -2.36 0.47 -0.87 0.00 0.00 176.83 174.13 1w44 n ASP 217 N -2.97 1.13 -0.28 4.97 8.00 0.11 -4.72 116.55 122.78 1w44 n ASP 217 Ca 0.01 -0.02 0.04 0.00 0.71 0.00 0.00 54.79 55.52 1w44 n ASP 217 Cb 0.60 0.14 0.18 0.00 -0.02 0.00 0.00 41.12 42.02 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 0.01 0.86 -0.29 0.53 2.10 -1.36 -1.91 117.51 117.44 1w44 h ILE 218 Ca -0.54 -0.25 0.03 0.00 1.08 0.00 0.00 64.86 65.18 1w44 h ILE 218 Cb 2.06 0.07 -0.03 0.00 -1.09 0.00 0.00 36.82 37.83 1w44 h ILE 218 CO -0.02 0.13 0.11 1.23 -1.08 0.00 0.00 178.15 178.53 1w44 h GLY 219 N 0.72 0.37 1.20 8.18 0.00 -1.83 -0.81 103.07 110.91 1w44 h GLY 219 Ca 0.40 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.54 1w44 h GLY 219 CO -0.28 0.05 -0.18 0.00 0.00 0.00 0.00 176.54 176.13 1w44 h ALA 220 N 1.17 0.80 -0.35 3.60 0.00 -1.79 -0.29 119.26 122.40 1w44 h ALA 220 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1w44 h ALA 220 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1w44 h ALA 220 CO -0.12 0.66 0.23 0.52 0.00 0.00 0.00 179.25 180.54 1w44 h MET 221 N 0.80 0.46 -0.19 0.00 2.07 -1.04 -0.41 114.93 116.62 1w44 h MET 221 Ca 0.11 -0.03 -0.06 0.00 -2.07 0.00 0.00 59.70 57.65 1w44 h MET 221 Cb 0.73 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 30.35 1w44 h MET 221 CO 0.06 0.30 -0.14 0.00 1.07 0.00 0.00 176.91 178.20 1w44 h ALA 222 N 1.13 0.27 -0.41 6.32 0.00 -1.03 -2.17 119.26 123.37 1w44 h ALA 222 Ca 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1w44 h ALA 222 Cb -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1w44 h ALA 222 CO -0.03 0.14 0.15 0.00 0.00 0.00 0.00 179.25 179.51 1w44 h ALA 223 N 0.66 1.50 -0.38 0.00 0.00 -0.98 0.18 119.26 120.25 1w44 h ALA 223 Ca 0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1w44 h ALA 223 Cb 0.65 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1w44 h ALA 223 CO 0.04 0.38 -0.26 0.77 0.00 0.00 0.00 179.25 180.18 1w44 h SER 224 N 0.58 0.81 1.37 0.00 0.02 -0.95 -2.95 113.55 112.42 1w44 h SER 224 Ca 0.14 -0.31 -0.08 0.00 -0.84 0.00 0.00 61.79 60.69 1w44 h SER 224 Cb 0.14 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1w44 h SER 224 CO -0.01 1.03 -0.40 -0.09 -1.14 0.00 0.00 176.83 176.22 1w44 h ARG 225 N 0.68 0.00 0.00 3.45 9.65 -0.69 -3.45 114.38 124.02 1w44 h ARG 225 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1w44 h ARG 225 Cb 0.79 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 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 0.92 0.65 3.86 2.80 0.00 0.57 -3.94 105.19 110.05 1w44 n GLY 226 Ca 0.02 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.33 2.03 -0.29 0.00 0.11 0.39 -0.56 120.40 119.75 1w44 s VAL 228 Ca 0.42 -1.06 -0.03 0.00 -2.93 0.00 0.00 61.98 58.39 1w44 s VAL 228 Cb -0.05 -1.71 0.04 0.00 -1.53 0.00 0.00 36.38 33.12 1w44 s VAL 228 CO 0.27 0.56 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.91 1w44 s VAL 229 N -0.21 3.11 -0.38 2.04 1.01 -0.00 -0.54 120.40 125.43 1w44 s VAL 229 Ca -0.02 -1.19 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 1w44 s VAL 229 Cb -0.13 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1w44 s VAL 229 CO 0.03 0.00 0.29 -0.63 0.00 0.00 0.00 175.10 174.79 1w44 s ILE 230 N 1.31 5.25 -0.07 2.22 1.01 0.21 -0.77 121.20 130.36 1w44 s ILE 230 Ca -0.03 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1w44 s ILE 230 Cb -0.19 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1w44 s ILE 230 CO -0.01 -0.17 -0.19 0.00 0.00 0.00 0.00 174.94 174.56 1w44 s ALA 231 N 1.77 1.77 0.19 9.38 0.00 0.13 -0.11 121.76 134.89 1w44 s ALA 231 Ca 0.07 -0.78 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 1w44 s ALA 231 Cb -0.18 -0.64 -0.08 0.00 0.00 0.00 0.00 23.12 22.22 1w44 s ALA 231 CO 0.11 0.27 0.71 -1.54 0.00 0.00 0.00 175.76 175.30 1w44 s SER 232 N 0.23 7.11 -0.25 0.00 1.04 -1.18 -0.56 113.70 120.09 1w44 s SER 232 Ca -0.11 1.43 -0.02 0.00 0.48 0.00 0.00 55.95 57.73 1w44 s SER 232 Cb -0.15 -2.42 0.12 0.00 0.10 0.00 0.00 66.02 63.67 1w44 s SER 232 CO 0.05 0.10 0.30 -0.22 0.98 0.00 0.00 173.24 174.45 1w44 s LEU 233 N -1.70 -0.36 -0.22 2.42 2.96 -0.33 -1.70 118.68 119.75 1w44 s LEU 233 Ca 0.39 -0.27 -0.28 0.00 -0.22 0.00 0.00 54.13 53.76 1w44 s LEU 233 Cb -0.18 0.69 0.00 0.00 0.50 0.00 0.00 46.19 47.20 1w44 s LEU 233 CO 0.22 -0.34 0.98 0.20 -1.32 0.00 0.00 176.35 176.08 1w44 s ASN 234 N 2.42 7.04 0.20 3.68 -0.87 -1.26 -4.32 114.94 121.83 1w44 s ASN 234 Ca 0.10 1.30 0.05 0.00 -1.57 0.00 0.00 52.86 52.73 1w44 s ASN 234 Cb -0.15 -2.51 0.12 0.00 -0.02 0.00 0.00 41.25 38.69 1w44 s ASN 234 CO -0.21 -0.60 1.47 -0.65 -2.57 0.00 0.00 177.10 174.54 1w44 h PRO 235 N 7.47 0.16 -5.04 -0.60 0.11 -1.95 -3.45 132.00 128.71 1w44 h PRO 235 Ca -0.22 -0.15 -0.50 0.00 0.11 0.00 0.00 66.00 65.25 1w44 h PRO 235 Cb 1.08 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 1w44 h PRO 235 CO 0.94 0.84 1.75 0.25 -0.21 0.00 0.00 178.00 181.57 1w44 n THR 236 N -3.73 -0.00 0.00 -1.15 -2.24 -1.26 -4.70 114.28 101.19 1w44 n THR 236 Ca -0.03 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1w44 n THR 236 Cb 0.72 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 10.77 0.00 -3.39 3.42 2.88 -1.26 -5.06 113.62 120.98 1w44 n SER 237 Ca 0.64 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.79 1w44 n SER 237 Cb 0.06 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.49 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 7.89 -3.60 -3.46 3.02 -1.26 -4.36 115.26 113.50 1w44 n ASN 238 Ca 0.00 -2.64 -0.28 0.00 -0.03 0.00 0.00 54.58 51.63 1w44 n ASN 238 Cb 0.00 -1.57 -0.12 0.00 -0.61 0.00 0.00 39.78 37.48 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 2.28 3.00 0.00 6.41 3.68 -1.26 -4.99 116.67 125.79 1w44 s ASP 239 Ca 0.65 -2.90 0.00 0.00 2.13 0.00 0.00 52.55 52.43 1w44 s ASP 239 Cb 0.17 -0.83 0.00 0.00 -1.45 0.00 0.00 42.92 40.81 1w44 s ASP 239 CO -0.07 -0.21 0.22 -0.90 0.13 0.00 0.00 175.17 174.34 1w44 n ASP 240 N 3.14 0.00 0.02 -0.34 5.75 -1.26 0.17 116.55 124.03 1w44 n ASP 240 Ca 0.18 0.02 -0.15 0.00 -0.01 0.00 0.00 54.79 54.83 1w44 n ASP 240 Cb 0.39 -0.02 -0.14 0.00 -1.03 0.00 0.00 41.12 40.33 1w44 n ASP 240 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1w44 h LYS 241 N 0.00 0.17 0.04 0.11 3.11 -1.94 -3.20 116.57 114.86 1w44 h LYS 241 Ca 0.00 -0.29 -0.32 0.00 -2.81 0.00 0.00 60.65 57.23 1w44 h LYS 241 Cb 0.08 0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 31.38 1w44 h LYS 241 CO 0.00 0.95 -1.80 1.51 -2.81 0.00 0.00 179.45 177.30 1w44 n ILE 242 N -3.33 1.60 0.14 2.00 3.06 0.44 -3.75 119.36 119.52 1w44 n ILE 242 Ca -0.20 -0.31 0.10 0.00 -2.50 0.00 0.00 62.75 59.85 1w44 n ILE 242 Cb 1.04 -1.88 0.61 0.00 0.54 0.00 0.00 39.64 39.95 1w44 n ILE 242 CO 0.00 0.00 0.00 1.62 -2.50 0.00 0.00 176.55 175.67 1w44 h VAL 243 N -0.62 0.95 0.00 9.51 3.04 -1.46 0.16 116.25 127.84 1w44 h VAL 243 Ca -0.45 -0.04 -0.09 0.00 -1.01 0.00 0.00 66.70 65.10 1w44 h VAL 243 Cb 1.61 0.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.71 1w44 h VAL 243 CO -0.16 0.02 -0.45 -0.33 -1.01 0.00 0.00 177.57 175.65 1w44 h GLU 244 N 0.11 0.00 0.00 4.17 4.39 -1.72 -1.90 114.58 119.63 1w44 h GLU 244 Ca 0.10 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.61 1w44 h GLU 244 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1w44 h GLU 244 CO -0.01 0.45 -0.86 1.25 -1.16 0.00 0.00 179.01 178.68 1w44 h LEU 245 N 0.00 0.19 -0.11 1.33 5.85 -0.84 -1.22 115.31 120.51 1w44 h LEU 245 Ca -0.00 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1w44 h LEU 245 Cb 1.16 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1w44 h LEU 245 CO 0.06 0.96 0.00 0.58 -0.34 0.00 0.00 178.44 179.70 1w44 h VAL 246 N 0.08 1.25 -0.27 1.05 2.07 -0.93 0.19 116.25 119.68 1w44 h VAL 246 Ca -0.03 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 1w44 h VAL 246 Cb 1.48 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1w44 h VAL 246 CO 0.13 0.23 -0.04 0.11 0.02 0.00 0.00 177.57 178.01 1w44 h LYS 247 N -0.07 0.42 0.04 1.57 1.57 -1.29 -0.47 116.57 118.34 1w44 h LYS 247 Ca 0.03 -0.09 -0.25 0.00 -1.87 0.00 0.00 60.65 58.47 1w44 h LYS 247 Cb 0.34 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.61 1w44 h LYS 247 CO 0.01 0.48 -0.99 1.49 -0.57 0.00 0.00 179.45 179.86 1w44 h GLU 248 N 0.41 0.60 -0.60 3.15 4.57 -1.02 0.15 114.58 121.84 1w44 h GLU 248 Ca 0.09 -0.70 0.01 0.00 -1.18 0.00 0.00 59.36 57.58 1w44 h GLU 248 Cb 0.33 0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 1w44 h GLU 248 CO 0.01 1.29 0.39 0.00 -1.18 0.00 0.00 179.01 179.52 1w44 h ALA 249 N 0.33 0.77 -0.14 2.92 0.00 -0.37 0.36 119.26 123.13 1w44 h ALA 249 Ca -0.14 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1w44 h ALA 249 Cb 1.67 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1w44 h ALA 249 CO 0.19 0.16 -0.50 0.77 0.00 0.00 0.00 179.25 179.88 1w44 h SER 250 N 0.78 0.42 0.06 0.00 0.02 -1.05 -1.21 113.55 112.56 1w44 h SER 250 Ca 0.23 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 1w44 h SER 250 Cb -0.05 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.38 1w44 h SER 250 CO -0.07 0.85 -0.45 -0.09 -1.14 0.00 0.00 176.83 175.93 1w44 h ARG 251 N 0.30 0.21 0.00 3.45 2.43 -0.18 -3.39 114.38 117.20 1w44 h ARG 251 Ca 0.01 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1w44 h ARG 251 Cb 0.99 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1w44 h ARG 251 CO 0.09 1.09 -1.29 0.43 -1.51 0.00 0.00 179.97 178.78 1w44 n SER 252 N -4.35 2.11 -0.70 -3.80 7.64 0.12 -4.60 113.62 110.05 1w44 n SER 252 Ca -0.12 -0.15 0.08 0.00 1.01 0.00 0.00 58.87 59.69 1w44 n SER 252 Cb 0.65 1.39 0.10 0.00 -1.01 0.00 0.00 64.21 65.34 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 -1.75 2.56 -4.59 6.43 5.03 -0.48 -4.96 115.26 117.50 1w44 n ASN 253 Ca -0.01 -1.74 -0.34 0.00 0.87 0.00 0.00 54.58 53.36 1w44 n ASN 253 Cb 0.26 -0.08 -0.11 0.00 -1.02 0.00 0.00 39.78 38.83 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 -1.25 4.78 0.07 6.41 0.01 -1.06 -4.41 113.70 118.25 1w44 s SER 254 Ca 0.22 -0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.40 1w44 s SER 254 Cb 0.14 -1.33 -0.30 0.00 0.21 0.00 0.00 66.02 64.74 1w44 s SER 254 CO 0.21 0.33 1.11 0.74 0.41 0.00 0.00 173.24 176.04 1w44 h THR 255 N 4.38 1.45 -3.97 1.44 2.02 -0.69 -3.47 112.91 114.08 1w44 h THR 255 Ca -0.46 -2.98 -0.20 0.00 0.77 0.00 0.00 66.41 63.54 1w44 h THR 255 Cb 1.18 2.97 -0.16 0.00 -1.74 0.00 0.00 68.15 70.39 1w44 h THR 255 CO 0.54 0.88 -0.70 -0.44 0.37 0.00 0.00 175.52 176.17 1w44 s SER 256 N -7.25 0.83 -0.03 4.18 0.01 -0.78 -1.41 113.70 109.25 1w44 s SER 256 Ca -0.05 -0.88 0.02 0.00 1.31 0.00 0.00 55.95 56.35 1w44 s SER 256 Cb 0.06 0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.42 1w44 s SER 256 CO 0.90 -0.44 -0.08 -0.22 0.41 0.00 0.00 173.24 173.81 1w44 s LEU 257 N -2.62 1.72 -0.22 2.44 2.96 0.59 -2.13 118.68 121.42 1w44 s LEU 257 Ca 0.04 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1w44 s LEU 257 Cb 0.02 -0.51 0.05 0.00 0.50 0.00 0.00 46.19 46.25 1w44 s LEU 257 CO -0.05 0.04 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.24 1w44 s VAL 258 N 0.31 1.71 -0.01 1.68 1.01 0.06 -0.47 120.40 124.69 1w44 s VAL 258 Ca -0.05 -1.16 0.06 0.00 0.00 0.00 0.00 61.98 60.83 1w44 s VAL 258 Cb -0.09 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1w44 s VAL 258 CO 0.00 0.08 -0.18 -0.51 0.00 0.00 0.00 175.10 174.49 1w44 s ILE 259 N 1.35 1.42 0.89 2.22 2.07 -0.13 -1.15 121.20 127.87 1w44 s ILE 259 Ca -0.03 -0.79 -0.11 0.00 -1.41 0.00 0.00 60.65 58.30 1w44 s ILE 259 Cb -0.17 -1.19 0.12 0.00 0.13 0.00 0.00 42.46 41.35 1w44 s ILE 259 CO -0.07 0.38 1.09 -0.94 -1.91 0.00 0.00 174.94 173.49 1w44 s SER 260 N -0.47 3.52 0.00 4.50 1.04 -0.83 -0.80 113.70 120.66 1w44 s SER 260 Ca 0.07 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.05 1w44 s SER 260 Cb -0.07 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1w44 s SER 260 CO -0.01 -2.62 0.00 0.35 0.98 0.00 0.00 173.24 171.95 1w44 n THR 261 N -3.88 0.00 0.15 2.02 -2.24 -1.08 -4.79 114.28 104.46 1w44 n THR 261 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1w44 n THR 261 Cb 0.55 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.08 -3.45 3.42 3.45 -1.95 -3.43 116.42 114.53 1w44 h ASP 262 Ca 0.00 -0.03 -0.60 0.00 0.43 0.00 0.00 57.03 56.83 1w44 h ASP 262 Cb 0.00 -0.02 -0.11 0.00 -0.56 0.00 0.00 39.33 38.64 1w44 h ASP 262 CO 0.00 0.51 -0.23 -0.69 -1.57 0.00 0.00 179.24 177.26 1w44 s VAL 263 N -4.05 5.22 0.24 -1.35 1.01 -1.26 -5.03 120.40 115.17 1w44 s VAL 263 Ca -0.03 0.68 -0.31 0.00 0.00 0.00 0.00 61.98 62.31 1w44 s VAL 263 Cb 0.14 -3.71 -0.12 0.00 0.00 0.00 0.00 36.38 32.69 1w44 s VAL 263 CO 0.75 0.28 1.67 -1.81 0.00 0.00 0.00 175.10 175.99 1w44 s ASP 264 N 0.95 6.37 0.00 3.32 -0.00 -1.26 -1.69 116.67 124.37 1w44 s ASP 264 Ca 0.19 2.90 0.00 0.00 -0.00 0.00 0.00 52.55 55.64 1w44 s ASP 264 Cb -0.14 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.16 1w44 s ASP 264 CO 0.07 -0.95 0.00 0.61 -0.00 0.00 0.00 175.17 174.90 1w44 n GLY 265 N 3.27 1.62 3.77 0.21 0.00 -1.26 -4.96 105.19 107.85 1w44 n GLY 265 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.55 3.24 0.09 1.61 2.12 -0.68 -1.67 118.70 122.86 1w44 s GLU 266 Ca 0.00 -0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.09 1w44 s GLU 266 Cb 0.00 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 1w44 s GLU 266 CO 0.00 0.72 -0.09 -1.58 -0.54 0.00 0.00 175.26 173.77 1w44 s TRP 267 N -0.90 0.97 -0.10 5.30 0.52 -0.34 -2.65 118.94 121.74 1w44 s TRP 267 Ca 0.14 -0.69 0.02 0.00 0.02 0.00 0.00 56.10 55.59 1w44 s TRP 267 Cb -0.12 -0.54 -0.02 0.00 -1.15 0.00 0.00 33.47 31.65 1w44 s TRP 267 CO 0.03 -0.04 -0.15 -0.65 0.02 0.00 0.00 176.95 176.16 1w44 s GLN 268 N -2.83 3.03 -0.22 4.98 -0.21 0.02 -0.29 119.66 124.14 1w44 s GLN 268 Ca 0.04 -0.71 -0.05 0.00 0.02 0.00 0.00 55.36 54.67 1w44 s GLN 268 Cb -0.02 -2.51 -0.02 0.00 1.00 0.00 0.00 33.01 31.46 1w44 s GLN 268 CO -0.01 0.36 -0.00 0.08 -2.12 0.00 0.00 175.29 173.60 1w44 s VAL 269 N -0.04 3.78 -0.22 1.09 1.01 0.10 -0.95 120.40 125.16 1w44 s VAL 269 Ca -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1w44 s VAL 269 Cb -0.14 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1w44 s VAL 269 CO 0.04 0.40 -0.10 -0.76 0.00 0.00 0.00 175.10 174.68 1w44 s LEU 270 N 1.35 2.82 -0.15 3.92 1.02 0.38 -1.73 118.68 126.30 1w44 s LEU 270 Ca 0.04 -0.71 -0.00 0.00 0.02 0.00 0.00 54.13 53.48 1w44 s LEU 270 Cb -0.15 -1.62 -0.01 0.00 0.02 0.00 0.00 46.19 44.43 1w44 s LEU 270 CO 0.00 -0.07 -0.14 -0.89 0.02 0.00 0.00 176.35 175.28 1w44 s THR 271 N 1.34 2.87 -0.24 5.49 2.01 0.43 -0.30 115.64 127.24 1w44 s THR 271 Ca 0.03 -0.71 -0.24 0.00 0.31 0.00 0.00 61.69 61.07 1w44 s THR 271 Cb -0.15 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 1w44 s THR 271 CO -0.07 0.51 0.82 -0.13 -0.69 0.00 0.00 174.62 175.07 1w44 s ARG 272 N 0.63 4.19 0.00 4.92 0.52 -0.50 -0.71 118.95 128.00 1w44 s ARG 272 Ca -0.08 0.94 0.27 0.00 -0.52 0.00 0.00 55.73 56.34 1w44 s ARG 272 Cb -0.16 -3.64 0.84 0.00 0.52 0.00 0.00 34.95 32.52 1w44 s ARG 272 CO 0.03 -0.50 1.63 0.25 0.02 0.00 0.00 175.30 176.73 1w44 n THR 273 N 5.21 0.00 0.00 0.02 -2.24 -1.24 -4.81 114.28 111.22 1w44 n THR 273 Ca 0.05 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1w44 n THR 273 Cb 0.48 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.41 0.40 3.66 3.38 0.00 -1.26 -4.03 105.19 108.75 1w44 n GLY 274 Ca 0.09 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1w44 n GLY 274 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1w44 n GLU 275 N -1.17 2.85 -0.86 1.61 2.13 0.92 -1.87 120.64 124.23 1w44 n GLU 275 Ca 0.00 1.04 0.00 0.00 0.66 0.00 0.00 57.16 58.86 1w44 n GLU 275 Cb 0.00 -3.00 0.00 0.00 0.27 0.00 0.00 31.44 28.71 1w44 n GLU 275 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1w44 n GLY 276 N 4.54 0.43 3.99 8.31 0.00 -1.26 -5.00 105.19 116.20 1w44 n GLY 276 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 3.36 0.42 0.99 1.43 -0.78 -5.08 118.68 119.02 1w44 s LEU 277 Ca 0.00 -0.16 -0.23 0.00 -1.03 0.00 0.00 54.13 52.71 1w44 s LEU 277 Cb 0.00 -2.75 -0.09 0.00 0.03 0.00 0.00 46.19 43.38 1w44 s LEU 277 CO 0.00 -1.07 1.03 -1.10 0.23 0.00 0.00 176.35 175.44 1w44 s GLN 278 N -4.66 4.10 0.17 1.70 -0.21 -1.26 -4.75 119.66 114.75 1w44 s GLN 278 Ca 0.57 1.41 -0.26 0.00 0.02 0.00 0.00 55.36 57.10 1w44 s GLN 278 Cb -0.10 -2.39 -0.08 0.00 1.00 0.00 0.00 33.01 31.44 1w44 s GLN 278 CO 0.37 -0.18 0.81 1.03 -2.12 0.00 0.00 175.29 175.21 1w44 s ARG 279 N -2.75 4.63 0.22 2.91 0.52 -1.26 -3.64 118.95 119.58 1w44 s ARG 279 Ca 0.60 1.23 0.07 0.00 -0.52 0.00 0.00 55.73 57.11 1w44 s ARG 279 Cb -0.19 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 1w44 s ARG 279 CO 0.23 0.54 0.14 -0.51 0.02 0.00 0.00 175.30 175.72 1w44 s LEU 280 N -1.07 3.70 0.01 2.53 1.43 0.11 -1.45 118.68 123.94 1w44 s LEU 280 Ca 0.37 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1w44 s LEU 280 Cb -0.24 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 1w44 s LEU 280 CO 0.27 0.01 -0.00 0.28 0.23 0.00 0.00 176.35 177.14 1w44 s THR 281 N -2.01 0.08 0.18 5.49 -1.32 0.20 -0.43 115.64 117.82 1w44 s THR 281 Ca 0.32 -0.66 -0.18 0.00 -1.21 0.00 0.00 61.69 59.95 1w44 s THR 281 Cb -0.08 -0.22 0.04 0.00 -1.51 0.00 0.00 72.50 70.72 1w44 s THR 281 CO 0.23 -0.36 0.52 -1.38 -2.21 0.00 0.00 174.62 171.42 1w44 s HIS 282 N -1.09 -0.22 0.09 9.09 -3.43 -0.71 -4.25 115.29 114.78 1w44 s HIS 282 Ca -0.12 -0.09 0.05 0.00 -0.80 0.00 0.00 55.06 54.10 1w44 s HIS 282 Cb -0.07 0.41 -0.04 0.00 -1.43 0.00 0.00 32.58 31.44 1w44 s HIS 282 CO -0.01 -0.87 0.01 0.99 -2.00 0.00 0.00 174.74 172.87 1w44 s THR 283 N -3.84 4.08 -0.04 -5.38 2.01 -1.26 -0.73 115.64 110.49 1w44 s THR 283 Ca 0.06 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.14 1w44 s THR 283 Cb -0.01 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 1w44 s THR 283 CO -0.07 0.10 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.99 1w44 s LEU 284 N -2.37 2.02 -0.06 4.42 1.02 0.60 -4.96 118.68 119.35 1w44 s LEU 284 Ca 0.26 -0.43 0.01 0.00 0.02 0.00 0.00 54.13 53.99 1w44 s LEU 284 Cb -0.12 -1.18 -0.03 0.00 0.02 0.00 0.00 46.19 44.88 1w44 s LEU 284 CO 0.19 0.24 -0.05 -1.10 0.02 0.00 0.00 176.35 175.64 1w44 s GLN 285 N -0.27 2.77 0.11 1.70 -1.52 -1.26 -1.20 119.66 119.98 1w44 s GLN 285 Ca 0.02 -0.55 -0.01 0.00 -1.95 0.00 0.00 55.36 52.87 1w44 s GLN 285 Cb -0.11 -2.62 -0.04 0.00 -0.22 0.00 0.00 33.01 30.02 1w44 s GLN 285 CO 0.01 0.66 0.02 0.95 -0.25 0.00 0.00 175.29 176.69 1w44 s THR 286 N -0.86 0.18 0.05 -0.19 -4.23 -0.67 -0.25 115.64 109.66 1w44 s THR 286 Ca 0.14 -1.88 -0.18 0.00 -1.18 0.00 0.00 61.69 58.58 1w44 s THR 286 Cb -0.11 -1.88 0.03 0.00 1.34 0.00 0.00 72.50 71.89 1w44 s THR 286 CO 0.03 -0.64 0.40 -0.94 -0.54 0.00 0.00 174.62 172.93 1w44 s SER 287 N -3.01 -0.27 0.07 3.99 1.04 -0.57 -4.81 113.70 110.13 1w44 s SER 287 Ca 0.19 -0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.50 1w44 s SER 287 Cb 0.08 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 1w44 s SER 287 CO -0.02 -0.68 0.35 -0.31 0.98 0.00 0.00 173.24 173.56 1w44 s TYR 288 N -2.58 3.55 0.00 5.02 2.02 -1.26 -0.53 117.35 123.57 1w44 s TYR 288 Ca -0.05 0.65 0.00 0.00 -0.37 0.00 0.00 57.07 57.30 1w44 s TYR 288 Cb -0.01 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 1w44 s TYR 288 CO -0.03 0.53 0.00 0.41 -1.57 0.00 0.00 175.55 174.89 1w44 n GLY 289 N 0.77 3.96 3.81 0.71 0.00 0.06 -4.97 105.19 109.53 1w44 n GLY 289 Ca -0.08 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 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 3.96 3.66 -1.61 1.61 2.02 -1.26 -3.93 118.70 123.15 1w44 s GLU 290 Ca 0.00 1.23 -0.14 0.00 0.02 0.00 0.00 54.97 56.08 1w44 s GLU 290 Cb 0.00 -2.08 0.11 0.00 0.10 0.00 0.00 34.13 32.26 1w44 s GLU 290 CO 0.00 -0.53 0.75 0.72 0.02 0.00 0.00 175.26 176.22 1w44 n HIS 291 N -1.44 -1.83 -1.96 1.61 8.25 -1.26 -2.04 115.22 116.55 1w44 n HIS 291 Ca 0.09 0.81 -0.19 0.00 -0.26 0.00 0.00 57.72 58.17 1w44 n HIS 291 Cb 0.53 -3.32 -0.05 0.00 1.12 0.00 0.00 29.99 28.27 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 -2.76 -5.21 -4.67 0.41 7.64 -1.25 -4.94 113.62 102.84 1w44 n SER 292 Ca -0.01 0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.70 1w44 n SER 292 Cb 0.54 -4.50 -0.03 0.00 -1.01 0.00 0.00 64.21 59.21 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 -2.77 4.78 0.05 0.44 1.01 -0.86 -4.86 120.40 118.19 1w44 s VAL 293 Ca 0.00 1.89 -0.08 0.00 0.00 0.00 0.00 61.98 63.79 1w44 s VAL 293 Cb 0.00 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1w44 s VAL 293 CO 0.00 -0.05 0.34 -0.22 0.00 0.00 0.00 175.10 175.17 1w44 s LEU 294 N 2.49 4.36 -0.06 3.92 2.96 -1.26 -0.76 118.68 130.32 1w44 s LEU 294 Ca 0.43 0.69 0.05 0.00 -0.22 0.00 0.00 54.13 55.08 1w44 s LEU 294 Cb -0.17 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.66 1w44 s LEU 294 CO 0.12 0.21 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.25 1w44 s THR 295 N -1.36 1.79 -0.25 3.68 2.01 0.31 -4.67 115.64 117.15 1w44 s THR 295 Ca 0.31 -0.91 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 1w44 s THR 295 Cb -0.14 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1w44 s THR 295 CO 0.17 0.50 0.51 -0.63 -0.69 0.00 0.00 174.62 174.48 1w44 s ILE 296 N -0.02 5.08 0.52 1.82 1.01 -1.26 -1.52 121.20 126.84 1w44 s ILE 296 Ca -0.05 0.88 -0.21 0.00 0.00 0.00 0.00 60.65 61.27 1w44 s ILE 296 Cb -0.13 -3.82 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1w44 s ILE 296 CO 0.04 0.11 1.16 -1.00 0.00 0.00 0.00 174.94 175.24 1w44 s HIS 297 N 2.17 2.70 0.00 3.97 3.76 0.65 -5.00 115.29 123.54 1w44 s HIS 297 Ca 0.21 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 1w44 s HIS 297 Cb -0.16 -3.35 0.00 0.00 1.11 0.00 0.00 32.58 30.18 1w44 s HIS 297 CO 0.09 -1.65 0.00 2.41 -0.85 0.00 0.00 174.74 174.74 1w44 n THR 298 N -1.06 0.00 -1.54 1.30 -1.04 -1.26 -4.62 114.28 106.06 1w44 n THR 298 Ca 0.10 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.74 1w44 n THR 298 Cb 0.50 -0.81 -0.05 0.00 -1.82 0.00 0.00 70.33 68.15 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 -1.06 2.06 0.21 8.00 2.88 -1.26 -4.96 113.62 119.49 1w44 n SER 299 Ca 0.00 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1w44 n SER 299 Cb 0.00 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 61.97 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 8.92 0.00 -3.04 -1.46 7.27 -1.26 -5.12 117.38 122.70 1w44 n GLN 306 Ca 0.41 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 57.11 1w44 n GLN 306 Cb 0.47 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.06 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 -1.95 3.41 0.11 1.69 0.00 -1.26 0.58 121.76 124.34 1w44 s ALA 307 Ca 0.00 0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.28 1w44 s ALA 307 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1w44 s ALA 307 CO 0.00 0.30 -0.15 -1.54 0.00 0.00 0.00 175.76 174.37 1w44 s SER 308 N -1.47 2.03 0.44 0.00 1.04 -0.53 -4.88 113.70 110.34 1w44 s SER 308 Ca 0.41 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 56.11 1w44 s SER 308 Cb -0.19 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1w44 s SER 308 CO 0.23 -0.10 0.63 -0.83 0.98 0.00 0.00 173.24 174.15 1w44 s GLY 309 N -2.23 1.67 0.33 7.32 0.00 -1.26 -4.30 107.32 108.84 1w44 s GLY 309 Ca 0.06 -1.28 0.07 0.00 0.00 0.00 0.00 44.72 43.57 1w44 s GLY 309 CO 0.03 -1.11 1.82 1.70 0.00 0.00 0.00 173.10 175.54 1w44 h LYS 310 N 0.49 0.72 0.04 2.90 1.63 -2.00 -1.90 116.57 118.45 1w44 h LYS 310 Ca -0.45 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.33 1w44 h LYS 310 Cb 1.27 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.71 1w44 h LYS 310 CO 0.54 0.48 -0.12 0.00 -3.45 0.00 0.00 179.45 176.89 1w44 h ALA 311 N 1.61 -0.17 -0.72 5.00 0.00 -2.00 -1.87 119.26 121.10 1w44 h ALA 311 Ca 0.52 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.52 1w44 h ALA 311 Cb 0.83 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1w44 h ALA 311 CO -0.29 -0.63 0.48 0.82 0.00 0.00 0.00 179.25 179.63 1w44 h ILE 312 N -0.22 0.93 0.06 0.00 2.04 -1.75 -1.98 117.51 116.57 1w44 h ILE 312 Ca 0.03 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1w44 h ILE 312 Cb 0.26 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1w44 h ILE 312 CO -0.09 0.11 -0.03 -0.61 0.00 0.00 0.00 178.15 177.53 1w44 h GLN 313 N 0.61 -0.07 0.00 2.37 -0.00 -0.90 -2.45 115.11 114.66 1w44 h GLN 313 Ca 0.33 0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.93 1w44 h GLN 313 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.97 1w44 h GLN 313 CO -0.12 0.07 -0.25 1.15 0.00 0.00 0.00 178.83 179.68 1w44 h THR 314 N -0.21 1.11 -0.25 2.39 2.02 -0.92 -1.54 112.91 115.52 1w44 h THR 314 Ca -0.01 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.30 1w44 h THR 314 Cb 0.18 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1w44 h THR 314 CO 0.01 0.25 0.10 0.58 0.37 0.00 0.00 175.52 176.83 1w44 h VAL 315 N 0.00 0.95 -0.66 3.16 2.07 -1.02 -0.52 116.25 120.24 1w44 h VAL 315 Ca -0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1w44 h VAL 315 Cb 0.47 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1w44 h VAL 315 CO 0.03 0.04 0.36 0.40 0.02 0.00 0.00 177.57 178.42 1w44 h ILE 316 N 0.22 1.21 -0.08 4.57 5.03 -0.94 -2.24 117.51 125.27 1w44 h ILE 316 Ca 0.11 -0.52 -0.01 0.00 -0.12 0.00 0.00 64.86 64.32 1w44 h ILE 316 Cb 0.06 0.35 -0.01 0.00 -3.03 0.00 0.00 36.82 34.20 1w44 h ILE 316 CO -0.10 0.23 0.00 0.11 -0.68 0.00 0.00 178.15 177.71 1w44 h LYS 317 N 0.90 0.12 -0.23 2.37 1.79 -0.69 -1.53 116.57 119.30 1w44 h LYS 317 Ca 0.23 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.72 1w44 h LYS 317 Cb 0.04 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1w44 h LYS 317 CO -0.04 0.13 0.15 -0.91 -1.08 0.00 0.00 179.45 177.71 1w44 h ASN 318 N 0.12 0.15 -1.03 0.86 4.21 -0.47 -2.71 115.58 116.71 1w44 h ASN 318 Ca 0.03 -0.00 0.26 0.00 1.21 0.00 0.00 56.30 57.80 1w44 h ASN 318 Cb 0.08 -0.03 -0.10 0.00 -1.12 0.00 0.00 38.32 37.14 1w44 h ASN 318 CO 0.00 0.10 0.65 0.44 -1.29 0.00 0.00 177.43 177.33 1w44 h ASP 319 N 0.17 0.52 -0.15 5.81 5.19 -1.30 -2.93 116.42 123.72 1w44 h ASP 319 Ca 0.10 0.10 -0.11 0.00 -0.62 0.00 0.00 57.03 56.49 1w44 h ASP 319 Cb 0.18 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.66 1w44 h ASP 319 CO -0.02 0.09 0.09 -0.62 -3.12 0.00 0.00 179.24 175.67 1w44 n GLU 320 N -4.70 1.33 0.00 3.56 1.02 -1.02 -4.56 120.64 116.27 1w44 n GLU 320 Ca 0.26 -0.55 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 1w44 n GLU 320 Cb 0.84 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 1w44 n GLU 320 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59