#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qsi s THR 16 N 0.00 2.39 -0.18 0.52 2.01 -1.18 -4.91 115.64 114.28 2qsi s THR 16 Ca 0.00 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.09 2qsi s THR 16 Cb 0.00 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 2qsi s THR 16 CO 0.00 0.00 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.63 2qsi s LEU 17 N -4.70 2.87 0.19 4.42 2.96 -1.26 -0.09 118.68 123.07 2qsi s LEU 17 Ca 0.61 -0.34 0.11 0.00 -0.22 0.00 0.00 54.13 54.29 2qsi s LEU 17 Cb -0.07 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2qsi s LEU 17 CO 0.39 0.07 -0.22 0.68 -1.32 0.00 0.00 176.35 175.95 2qsi s VAL 18 N 0.93 2.50 0.31 1.68 -7.23 0.56 -4.94 120.40 114.21 2qsi s VAL 18 Ca -0.01 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2qsi s VAL 18 Cb -0.15 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 2qsi s VAL 18 CO 0.00 -0.12 0.08 -0.90 -0.31 0.00 0.00 175.10 173.86 2qsi n ASP 19 N 0.21 1.55 0.29 4.85 5.68 -1.26 0.39 116.55 128.27 2qsi n ASP 19 Ca -0.12 -2.59 0.16 0.00 -0.50 0.00 0.00 54.79 51.73 2qsi n ASP 19 Cb 0.56 0.65 0.90 0.00 -1.14 0.00 0.00 41.12 42.08 2qsi n ASP 19 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2qsi h GLU 20 N 0.00 0.00 0.04 0.11 5.08 -1.95 0.23 114.58 118.08 2qsi h GLU 20 Ca -0.25 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.88 2qsi h GLU 20 Cb 0.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2qsi h GLU 20 CO 0.40 0.04 -1.07 0.00 -1.00 0.00 0.00 179.01 177.38 2qsi h ALA 21 N 1.96 0.28 0.00 3.43 0.00 -2.02 -3.39 119.26 119.52 2qsi h ALA 21 Ca -0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2qsi h ALA 21 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qsi h ALA 21 CO 0.01 1.17 -0.74 0.25 0.00 0.00 0.00 179.25 179.94 2qsi n THR 22 N -3.40 0.00 -0.21 0.00 -2.24 -0.93 -4.70 114.28 102.79 2qsi n THR 22 Ca -0.02 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 2qsi n THR 22 Cb 0.96 0.80 0.02 0.00 -2.10 0.00 0.00 70.33 70.01 2qsi n THR 22 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2qsi h VAL 23 N 0.00 1.27 0.04 2.28 3.04 -1.16 -2.84 116.25 118.87 2qsi h VAL 23 Ca 0.00 -1.20 0.03 0.00 -1.01 0.00 0.00 66.70 64.52 2qsi h VAL 23 Cb 0.29 0.84 -0.04 0.00 -2.01 0.00 0.00 31.29 30.37 2qsi h VAL 23 CO 0.00 0.43 -0.28 0.44 -1.01 0.00 0.00 177.57 177.15 2qsi h ASP 24 N 0.97 -0.82 -0.04 3.17 3.32 -1.83 -1.17 116.42 120.02 2qsi h ASP 24 Ca 0.16 0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 2qsi h ASP 24 Cb 0.60 0.33 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 2qsi h ASP 24 CO 0.04 -0.35 -0.25 0.44 -1.72 0.00 0.00 179.24 177.39 2qsi h ASP 25 N -0.45 0.46 -0.37 6.45 3.32 -1.89 -1.07 116.42 122.87 2qsi h ASP 25 Ca 0.05 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.01 2qsi h ASP 25 Cb 0.51 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 2qsi h ASP 25 CO -0.22 0.71 0.04 0.15 -1.72 0.00 0.00 179.24 178.20 2qsi h PHE 26 N 0.41 0.05 0.00 4.55 3.57 -1.06 -2.40 116.94 122.06 2qsi h PHE 26 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2qsi h PHE 26 Cb 0.66 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2qsi h PHE 26 CO 0.02 -0.03 -0.00 0.82 -2.23 0.00 0.00 178.31 176.89 2qsi h ILE 27 N 0.15 1.45 -0.47 1.41 2.04 -1.06 -2.99 117.51 118.03 2qsi h ILE 27 Ca 0.18 -1.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 2qsi h ILE 27 Cb 0.23 2.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2qsi h ILE 27 CO -0.27 0.35 0.15 0.00 0.00 0.00 0.00 178.15 178.39 2qsi h ALA 28 N 0.40 1.38 -0.36 1.87 0.00 -1.07 -2.84 119.26 118.63 2qsi h ALA 28 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2qsi h ALA 28 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2qsi h ALA 28 CO 0.00 0.46 0.01 0.72 0.00 0.00 0.00 179.25 180.44 2qsi n HIS 29 N -4.33 1.30 0.07 0.00 8.25 -0.92 -4.55 115.22 115.06 2qsi n HIS 29 Ca 0.03 -0.88 -0.04 0.00 -0.26 0.00 0.00 57.72 56.57 2qsi n HIS 29 Cb 0.18 -0.39 0.16 0.00 1.12 0.00 0.00 29.99 31.06 2qsi n HIS 29 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2qsi h SER 30 N 2.35 0.33 -0.63 0.41 4.64 -1.34 -3.47 113.55 115.84 2qsi h SER 30 Ca 0.02 -0.16 -0.27 0.00 -0.47 0.00 0.00 61.79 60.91 2qsi h SER 30 Cb 1.63 -0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 63.52 2qsi h SER 30 CO 0.32 0.77 -0.24 0.61 -0.87 0.00 0.00 176.83 177.42 2qsi n GLY 31 N 0.04 1.34 3.26 -0.77 0.00 -1.26 -4.96 105.19 102.84 2qsi n GLY 31 Ca -0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 2qsi n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qsi s LYS 32 N -3.03 1.07 0.15 1.61 1.02 -1.26 -5.04 119.74 114.26 2qsi s LYS 32 Ca 0.00 -1.29 -0.30 0.00 0.02 0.00 0.00 55.97 54.40 2qsi s LYS 32 Cb 0.00 0.32 -0.07 0.00 -0.52 0.00 0.00 37.83 37.56 2qsi s LYS 32 CO 0.00 -0.36 1.14 0.42 -0.92 0.00 0.00 175.35 175.63 2qsi s ILE 33 N -4.01 3.88 -0.14 2.17 -1.09 -0.39 -4.54 121.20 117.09 2qsi s ILE 33 Ca 0.20 1.54 -0.12 0.00 -2.23 0.00 0.00 60.65 60.05 2qsi s ILE 33 Cb 0.05 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 2qsi s ILE 33 CO 0.01 0.23 0.25 -0.69 -1.23 0.00 0.00 174.94 173.50 2qsi s VAL 34 N 0.12 5.33 -0.34 2.92 1.01 -0.43 -1.49 120.40 127.51 2qsi s VAL 34 Ca 0.52 0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.87 2qsi s VAL 34 Cb -0.30 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.55 2qsi s VAL 34 CO 0.34 0.48 0.14 -0.69 0.00 0.00 0.00 175.10 175.37 2qsi s VAL 35 N -0.10 4.15 -0.20 2.92 1.01 0.43 -0.32 120.40 128.28 2qsi s VAL 35 Ca 0.16 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 2qsi s VAL 35 Cb -0.13 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2qsi s VAL 35 CO 0.04 -0.15 0.32 -0.76 0.00 0.00 0.00 175.10 174.55 2qsi s LEU 36 N 1.49 4.16 -0.37 3.92 1.43 0.47 -1.62 118.68 128.16 2qsi s LEU 36 Ca 0.01 0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 53.38 2qsi s LEU 36 Cb -0.19 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 2qsi s LEU 36 CO 0.04 -0.01 0.27 0.12 0.23 0.00 0.00 176.35 177.01 2qsi s PHE 37 N 1.08 3.23 -0.40 0.29 5.36 0.02 -0.39 117.98 127.17 2qsi s PHE 37 Ca 0.16 -0.33 -0.17 0.00 -0.96 0.00 0.00 56.93 55.63 2qsi s PHE 37 Cb -0.14 -2.54 0.01 0.00 -0.34 0.00 0.00 43.02 40.01 2qsi s PHE 37 CO 0.06 -0.45 0.41 -0.06 -1.46 0.00 0.00 175.22 173.72 2qsi s PHE 38 N 1.74 3.19 0.00 10.12 0.08 -0.21 -0.97 117.98 131.92 2qsi s PHE 38 Ca 0.06 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.80 2qsi s PHE 38 Cb -0.18 -2.81 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 2qsi s PHE 38 CO 0.11 -0.63 0.00 -2.13 -0.10 0.00 0.00 175.22 172.47 2qsi n ARG 39 N 5.51 0.00 0.00 0.44 0.63 -1.26 -1.33 116.66 120.65 2qsi n ARG 39 Ca -0.08 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2qsi n ARG 39 Cb 0.48 -0.63 0.00 0.00 0.45 0.00 0.00 32.46 32.76 2qsi n ARG 39 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qsi n GLY 40 N 1.96 1.94 3.72 5.14 0.00 -1.26 -3.81 105.19 112.87 2qsi n GLY 40 Ca 0.00 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 2qsi n GLY 40 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qsi n ASP 41 N 0.00 3.05 0.21 1.61 2.03 -1.26 -4.81 116.55 117.37 2qsi n ASP 41 Ca 0.00 1.19 0.05 0.00 0.52 0.00 0.00 54.79 56.55 2qsi n ASP 41 Cb 0.00 -1.53 0.45 0.00 -0.72 0.00 0.00 41.12 39.32 2qsi n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qsi h ALA 42 N 2.58 1.40 0.12 -1.67 0.00 -1.96 0.25 119.26 119.98 2qsi h ALA 42 Ca -0.48 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 53.99 2qsi h ALA 42 Cb 1.27 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.04 2qsi h ALA 42 CO 0.62 0.37 -0.77 0.28 0.00 0.00 0.00 179.25 179.75 2qsi h VAL 43 N 0.00 1.51 -0.02 0.00 2.07 -1.97 -2.67 116.25 115.17 2qsi h VAL 43 Ca -0.00 -2.47 -0.23 0.00 0.82 0.00 0.00 66.70 64.82 2qsi h VAL 43 Cb 0.56 3.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 2qsi h VAL 43 CO 0.04 0.70 -0.93 0.03 0.02 0.00 0.00 177.57 177.43 2qsi h ARG 44 N -0.35 0.47 -2.08 1.57 3.08 -1.93 -3.39 114.38 111.75 2qsi h ARG 44 Ca -0.13 -0.49 -0.52 0.00 0.07 0.00 0.00 59.98 58.91 2qsi h ARG 44 Cb 1.59 0.13 -0.41 0.00 0.08 0.00 0.00 29.97 31.36 2qsi h ARG 44 CO 0.15 1.13 -0.97 1.19 -1.07 0.00 0.00 179.97 180.40 2qsi n PHE 45 N -3.78 1.82 0.23 3.04 3.72 0.87 -4.93 117.46 118.43 2qsi n PHE 45 Ca -0.07 -3.86 0.07 0.00 -0.05 0.00 0.00 57.45 53.54 2qsi n PHE 45 Cb 0.82 -0.44 0.56 0.00 -0.94 0.00 0.00 39.48 39.48 2qsi n PHE 45 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2qsi h PRO 46 N 2.98 0.00 0.00 -1.08 0.13 -1.64 -1.25 132.00 131.15 2qsi h PRO 46 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2qsi h PRO 46 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2qsi h PRO 46 CO 0.63 0.14 0.00 -0.85 -0.23 0.00 0.00 178.00 177.70 2qsi n GLU 47 N -4.29 0.18 0.10 0.86 0.00 -1.26 -2.24 120.64 114.00 2qsi n GLU 47 Ca -0.03 0.48 0.09 0.00 0.00 0.00 0.00 57.16 57.71 2qsi n GLU 47 Cb 0.21 -1.90 0.57 0.00 0.00 0.00 0.00 31.44 30.33 2qsi n GLU 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qsi h ALA 48 N 2.19 2.00 -0.12 -1.84 0.00 -1.53 -0.52 119.26 119.44 2qsi h ALA 48 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qsi h ALA 48 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qsi h ALA 48 CO 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 179.25 179.25 2qsi h ALA 49 N 1.85 1.87 -0.47 0.00 0.00 -1.64 -1.00 119.26 119.88 2qsi h ALA 49 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2qsi h ALA 49 Cb 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2qsi h ALA 49 CO -0.02 0.11 -0.07 -0.44 0.00 0.00 0.00 179.25 178.84 2qsi h ASP 50 N 0.17 0.80 -0.34 0.00 3.32 -1.29 -2.03 116.42 117.04 2qsi h ASP 50 Ca 0.04 -0.22 -0.15 0.00 0.02 0.00 0.00 57.03 56.72 2qsi h ASP 50 Cb 0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2qsi h ASP 50 CO -0.01 0.90 -0.35 0.25 -1.72 0.00 0.00 179.24 178.32 2qsi h LEU 51 N 0.74 0.94 -0.84 1.55 5.85 -1.36 -2.70 115.31 119.49 2qsi h LEU 51 Ca 0.13 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.50 2qsi h LEU 51 Cb 0.54 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2qsi h LEU 51 CO 0.03 1.19 0.51 0.00 -0.34 0.00 0.00 178.44 179.83 2qsi h ALA 52 N 0.86 1.15 -0.28 1.25 0.00 -0.96 -0.82 119.26 120.46 2qsi h ALA 52 Ca 0.07 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2qsi h ALA 52 Cb 0.92 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2qsi h ALA 52 CO 0.09 0.25 -0.41 -0.39 0.00 0.00 0.00 179.25 178.79 2qsi h VAL 53 N 0.94 1.29 0.00 0.00 -1.51 -1.27 -3.13 116.25 112.57 2qsi h VAL 53 Ca 0.37 -1.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.24 2qsi h VAL 53 Cb 0.17 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 2qsi h VAL 53 CO -0.17 0.51 -0.09 -0.37 -1.23 0.00 0.00 177.57 176.22 2qsi h VAL 54 N 0.55 0.00 -0.28 7.19 -1.51 -1.16 -3.38 116.25 117.66 2qsi h VAL 54 Ca 0.04 -0.61 -0.00 0.00 -1.23 0.00 0.00 66.70 64.91 2qsi h VAL 54 Cb 0.95 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 2qsi h VAL 54 CO 0.09 0.00 0.18 0.25 -1.23 0.00 0.00 177.57 176.85 2qsi h LEU 55 N 0.00 0.33 -1.80 4.19 5.85 -1.10 -0.30 115.31 122.49 2qsi h LEU 55 Ca 0.00 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2qsi h LEU 55 Cb 0.80 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 2qsi h LEU 55 CO 0.00 0.27 -0.15 1.55 -0.34 0.00 0.00 178.44 179.78 2qsi h PRO 56 N 0.37 0.00 -0.28 5.25 0.13 -1.75 -0.97 132.00 134.75 2qsi h PRO 56 Ca 0.10 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.07 2qsi h PRO 56 Cb -0.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2qsi h PRO 56 CO -0.02 0.15 -0.47 0.93 -0.23 0.00 0.00 178.00 178.35 2qsi h GLU 57 N 0.00 0.75 -0.30 0.86 4.39 -1.41 -2.05 114.58 116.82 2qsi h GLU 57 Ca -0.00 -0.43 -0.02 0.00 0.34 0.00 0.00 59.36 59.25 2qsi h GLU 57 Cb 0.29 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2qsi h GLU 57 CO 0.02 1.05 0.10 1.25 -1.16 0.00 0.00 179.01 180.27 2qsi h LEU 58 N 0.59 0.43 -0.65 1.33 5.85 -0.32 -2.37 115.31 120.18 2qsi h LEU 58 Ca 0.03 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.61 2qsi h LEU 58 Cb 1.04 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 2qsi h LEU 58 CO 0.10 0.52 0.36 0.40 -0.34 0.00 0.00 178.44 179.48 2qsi h ILE 59 N 0.32 0.97 0.00 4.05 1.08 -1.14 -2.35 117.51 120.45 2qsi h ILE 59 Ca 0.10 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 2qsi h ILE 59 Cb 0.24 0.24 -0.00 0.00 -3.07 0.00 0.00 36.82 34.23 2qsi h ILE 59 CO -0.00 0.12 -0.05 -1.13 -0.69 0.00 0.00 178.15 176.40 2qsi h ASN 60 N 0.67 0.00 0.35 1.72 -0.73 -1.09 -2.88 115.58 113.62 2qsi h ASN 60 Ca 0.29 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.46 2qsi h ASN 60 Cb 0.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.76 2qsi h ASN 60 CO -0.18 0.05 -0.02 0.00 -0.37 0.00 0.00 177.43 176.91 2qsi n ALA 61 N -2.14 2.60 -3.28 1.57 0.00 -0.88 -3.88 120.51 114.50 2qsi n ALA 61 Ca -0.01 -0.19 -0.25 0.00 0.00 0.00 0.00 53.44 52.99 2qsi n ALA 61 Cb 0.25 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 2qsi n ALA 61 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2qsi n PHE 62 N -1.09 1.20 -1.61 0.00 3.72 -1.09 -5.09 117.46 113.50 2qsi n PHE 62 Ca 0.17 -3.79 -0.51 0.00 -0.05 0.00 0.00 57.45 53.27 2qsi n PHE 62 Cb 0.21 -0.43 -0.06 0.00 -0.94 0.00 0.00 39.48 38.26 2qsi n PHE 62 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2qsi n PRO 63 N 1.17 1.57 -0.03 -1.08 -0.02 -1.25 -1.29 135.00 134.08 2qsi n PRO 63 Ca 0.25 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2qsi n PRO 63 Cb 0.48 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2qsi n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qsi n GLY 64 N 5.16 0.37 0.07 -1.23 0.00 -1.26 -4.92 105.19 103.38 2qsi n GLY 64 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2qsi n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qsi n ARG 65 N -2.00 0.66 -4.17 1.61 5.12 -0.41 -4.91 116.66 112.56 2qsi n ARG 65 Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 2qsi n ARG 65 Cb 0.00 -1.61 -0.11 0.00 -1.16 0.00 0.00 32.46 29.58 2qsi n ARG 65 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2qsi s LEU 66 N -5.26 2.41 -0.04 0.55 1.43 -1.26 -1.26 118.68 115.26 2qsi s LEU 66 Ca -0.07 -0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 52.13 2qsi s LEU 66 Cb 0.09 -0.27 0.01 0.00 0.03 0.00 0.00 46.19 46.05 2qsi s LEU 66 CO 0.85 -0.29 0.18 0.54 0.23 0.00 0.00 176.35 177.86 2qsi s VAL 67 N -2.56 0.04 0.12 -1.59 0.11 -0.56 -4.91 120.40 111.06 2qsi s VAL 67 Ca 0.06 -0.32 0.08 0.00 -2.93 0.00 0.00 61.98 58.87 2qsi s VAL 67 Cb -0.02 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 2qsi s VAL 67 CO -0.00 -0.18 -0.12 0.00 -3.33 0.00 0.00 175.10 171.47 2qsi s ALA 68 N -0.62 2.88 -0.07 1.54 0.00 -1.26 -0.43 121.76 123.81 2qsi s ALA 68 Ca -0.07 -1.31 -0.09 0.00 0.00 0.00 0.00 51.96 50.49 2qsi s ALA 68 Cb -0.04 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.29 2qsi s ALA 68 CO 0.01 0.60 0.23 0.00 0.00 0.00 0.00 175.76 176.60 2qsi s ALA 69 N -1.28 -0.58 0.01 0.00 0.00 -0.64 -1.88 121.76 117.39 2qsi s ALA 69 Ca 0.21 0.51 -0.17 0.00 0.00 0.00 0.00 51.96 52.52 2qsi s ALA 69 Cb -0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 2qsi s ALA 69 CO 0.13 -0.15 0.47 -2.00 0.00 0.00 0.00 175.76 174.22 2qsi s GLU 70 N -0.28 4.07 -0.14 0.00 2.12 0.88 -0.80 118.70 124.55 2qsi s GLU 70 Ca -0.04 0.53 -0.27 0.00 0.36 0.00 0.00 54.97 55.55 2qsi s GLU 70 Cb -0.03 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 2qsi s GLU 70 CO 0.01 0.61 0.90 0.08 -0.54 0.00 0.00 175.26 176.31 2qsi s VAL 71 N -0.87 4.85 0.46 3.70 1.01 -0.14 -0.32 120.40 129.08 2qsi s VAL 71 Ca 0.26 1.80 -0.24 0.00 0.00 0.00 0.00 61.98 63.80 2qsi s VAL 71 Cb -0.17 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 2qsi s VAL 71 CO 0.15 0.03 1.15 0.00 0.00 0.00 0.00 175.10 176.43 2qsi n ALA 72 N 5.07 0.81 -0.27 5.51 0.00 0.16 -4.73 120.51 127.06 2qsi n ALA 72 Ca 0.06 0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.70 2qsi n ALA 72 Cb 0.49 -2.20 0.12 0.00 0.00 0.00 0.00 19.45 17.86 2qsi n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qsi h ALA 73 N 1.61 1.05 0.00 0.00 0.00 -1.96 -0.90 119.26 119.06 2qsi h ALA 73 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2qsi h ALA 73 Cb 1.32 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2qsi h ALA 73 CO 0.57 0.17 -0.03 1.05 0.00 0.00 0.00 179.25 181.01 2qsi h GLU 74 N 0.84 0.00 0.00 0.00 9.09 -1.97 -2.70 114.58 119.84 2qsi h GLU 74 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 2qsi h GLU 74 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 2qsi h GLU 74 CO -0.18 0.03 -0.31 0.00 0.05 0.00 0.00 179.01 178.61 2qsi n ALA 75 N -2.11 2.83 0.01 1.06 0.00 -0.37 -4.44 120.51 117.49 2qsi n ALA 75 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 2qsi n ALA 75 Cb 0.31 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 2qsi n ALA 75 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qsi h GLU 76 N 0.00 -0.23 0.04 0.00 5.08 -1.18 -0.76 114.58 117.54 2qsi h GLU 76 Ca 0.00 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2qsi h GLU 76 Cb 0.61 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2qsi h GLU 76 CO 0.00 -0.15 -0.02 -0.09 -1.00 0.00 0.00 179.01 177.75 2qsi h ARG 77 N -0.23 -0.06 -0.41 2.33 2.43 -1.81 -2.87 114.38 113.77 2qsi h ARG 77 Ca 0.08 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 2qsi h ARG 77 Cb 0.36 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2qsi h ARG 77 CO -0.23 -0.04 -0.16 0.78 -1.51 0.00 0.00 179.97 178.81 2qsi h GLY 78 N -0.06 0.83 -2.67 2.80 0.00 -1.83 -2.63 103.07 99.52 2qsi h GLY 78 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.66 2qsi h GLY 78 CO 0.01 0.61 0.00 1.04 0.00 0.00 0.00 176.54 178.20 2qsi n LEU 79 N -4.14 4.09 0.00 3.11 4.77 -0.30 -1.44 117.00 123.09 2qsi n LEU 79 Ca 0.01 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.09 2qsi n LEU 79 Cb 0.40 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2qsi n LEU 79 CO 0.44 0.75 0.00 0.00 -1.33 0.00 0.00 177.39 177.24 2qsi n ALA 81 N 1.16 0.00 -0.16 -1.18 0.00 -0.99 -0.69 120.51 118.65 2qsi n ALA 81 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2qsi n ALA 81 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2qsi n ALA 81 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qsi h ARG 82 N 0.00 0.74 -0.02 0.00 2.43 -1.52 -3.24 114.38 112.77 2qsi h ARG 82 Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2qsi h ARG 82 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2qsi h ARG 82 CO 0.00 0.73 -0.24 1.19 -1.51 0.00 0.00 179.97 180.14 2qsi n PHE 83 N -4.50 0.00 -2.00 2.20 3.72 0.14 -4.96 117.46 112.05 2qsi n PHE 83 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2qsi n PHE 83 Cb 0.21 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 2qsi n PHE 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qsi n GLY 84 N 1.34 0.75 3.68 1.37 0.00 -1.23 -5.03 105.19 106.08 2qsi n GLY 84 Ca 0.13 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 2qsi n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qsi s VAL 85 N -2.43 5.34 -0.12 1.61 1.01 -1.26 -4.99 120.40 119.55 2qsi s VAL 85 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 2qsi s VAL 85 Cb 0.00 -3.54 -0.26 0.00 0.00 0.00 0.00 36.38 32.57 2qsi s VAL 85 CO 0.00 0.35 0.42 0.00 0.00 0.00 0.00 175.10 175.87 2qsi h ALA 86 N 7.25 0.33 -2.45 5.51 0.00 -2.00 -3.40 119.26 124.51 2qsi h ALA 86 Ca -0.39 -1.29 -0.17 0.00 0.00 0.00 0.00 54.91 53.06 2qsi h ALA 86 Cb 1.16 0.64 -0.15 0.00 0.00 0.00 0.00 17.79 19.45 2qsi h ALA 86 CO 0.70 1.12 -0.61 0.14 0.00 0.00 0.00 179.25 180.59 2qsi s VAL 87 N -2.52 0.10 0.18 0.00 -7.23 -1.26 -5.13 120.40 104.54 2qsi s VAL 87 Ca -0.22 -1.85 0.09 0.00 -1.81 0.00 0.00 61.98 58.19 2qsi s VAL 87 Cb 0.06 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 2qsi s VAL 87 CO 0.76 -0.46 -0.13 0.00 -0.31 0.00 0.00 175.10 174.96 2qsi s PRO 89 N -2.75 3.34 0.06 0.00 0.04 -1.25 -5.04 135.00 129.41 2qsi s PRO 89 Ca 0.23 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 2qsi s PRO 89 Cb -0.09 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2qsi s PRO 89 CO 0.14 -0.81 0.24 -1.12 0.04 0.00 0.00 177.00 175.49 2qsi s SER 90 N -2.43 -0.01 -0.19 6.66 0.01 -0.44 -5.02 113.70 112.28 2qsi s SER 90 Ca 0.66 -0.38 -0.07 0.00 1.31 0.00 0.00 55.95 57.47 2qsi s SER 90 Cb -0.18 0.34 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 2qsi s SER 90 CO 0.32 -0.64 0.05 -0.76 0.41 0.00 0.00 173.24 172.63 2qsi s LEU 91 N -2.32 3.65 -0.24 2.44 1.43 -1.26 -1.05 118.68 121.34 2qsi s LEU 91 Ca -0.02 -0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 2qsi s LEU 91 Cb 0.01 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 2qsi s LEU 91 CO -0.06 0.13 0.06 0.00 0.23 0.00 0.00 176.35 176.71 2qsi s ALA 92 N 0.62 3.17 -0.29 4.21 0.00 0.48 -4.94 121.76 124.99 2qsi s ALA 92 Ca 0.02 -1.07 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 2qsi s ALA 92 Cb -0.13 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 2qsi s ALA 92 CO 0.02 -0.37 0.31 0.08 0.00 0.00 0.00 175.76 175.80 2qsi s VAL 93 N 1.40 5.22 -0.08 0.00 1.01 -1.26 -0.40 120.40 126.28 2qsi s VAL 93 Ca 0.05 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2qsi s VAL 93 Cb -0.15 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2qsi s VAL 93 CO 0.03 0.12 -0.16 -0.69 0.00 0.00 0.00 175.10 174.40 2qsi s VAL 94 N 1.96 1.46 -0.23 2.92 1.01 0.56 -4.99 120.40 123.09 2qsi s VAL 94 Ca 0.12 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 2qsi s VAL 94 Cb -0.16 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2qsi s VAL 94 CO 0.11 0.43 0.44 -1.58 0.00 0.00 0.00 175.10 174.50 2qsi s GLN 95 N 0.66 4.11 0.86 2.72 0.74 -1.26 -1.32 119.66 126.17 2qsi s GLN 95 Ca -0.14 0.23 -0.11 0.00 0.05 0.00 0.00 55.36 55.39 2qsi s GLN 95 Cb -0.16 -3.60 0.11 0.00 1.10 0.00 0.00 33.01 30.46 2qsi s GLN 95 CO 0.04 -0.20 1.17 -2.14 -0.55 0.00 0.00 175.29 173.61 2qsi s PRO 96 N 1.81 1.38 0.67 1.67 0.02 -1.26 -4.98 135.00 134.31 2qsi s PRO 96 Ca 0.19 1.61 -0.16 0.00 0.02 0.00 0.00 61.00 62.66 2qsi s PRO 96 Cb -0.15 -1.76 0.01 0.00 0.02 0.00 0.00 34.50 32.61 2qsi s PRO 96 CO 0.09 -2.38 1.18 -1.83 -0.33 0.00 0.00 177.00 173.74 2qsi s GLU 97 N -4.44 2.55 -0.09 5.54 -1.05 -1.26 -5.03 118.70 114.92 2qsi s GLU 97 Ca 0.69 1.69 -0.05 0.00 -0.15 0.00 0.00 54.97 57.15 2qsi s GLU 97 Cb -0.25 -1.89 0.04 0.00 -0.44 0.00 0.00 34.13 31.59 2qsi s GLU 97 CO 0.54 -1.50 0.22 0.50 0.95 0.00 0.00 175.26 175.97 2qsi s ARG 98 N -3.78 0.19 -0.37 -4.83 3.52 -1.26 -4.99 118.95 107.44 2qsi s ARG 98 Ca 0.73 0.46 -0.29 0.00 -0.13 0.00 0.00 55.73 56.51 2qsi s ARG 98 Cb -0.27 -0.09 0.02 0.00 -1.56 0.00 0.00 34.95 33.05 2qsi s ARG 98 CO 0.40 -0.14 1.07 0.99 -0.81 0.00 0.00 175.30 176.82 2qsi s THR 99 N 1.03 4.43 0.10 4.11 2.01 -1.26 -4.89 115.64 121.17 2qsi s THR 99 Ca -0.08 1.51 0.16 0.00 0.31 0.00 0.00 61.69 63.60 2qsi s THR 99 Cb -0.09 -4.46 0.07 0.00 0.01 0.00 0.00 72.50 68.03 2qsi s THR 99 CO -0.06 -0.64 1.62 -0.07 -0.69 0.00 0.00 174.62 174.77 2qsi h LEU 100 N 10.41 0.00 0.00 4.42 3.38 -2.04 -3.48 115.31 128.01 2qsi h LEU 100 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2qsi h LEU 100 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2qsi h LEU 100 CO 1.05 0.48 0.00 0.61 0.09 0.00 0.00 178.44 180.68 2qsi n GLY 101 N 0.55 1.28 2.98 0.83 0.00 -1.26 -5.13 105.19 104.44 2qsi n GLY 101 Ca 0.00 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 2qsi n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qsi s VAL 102 N -2.00 1.07 -0.56 1.61 1.01 -1.26 -5.10 120.40 115.17 2qsi s VAL 102 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 2qsi s VAL 102 Cb 0.00 -1.02 0.14 0.00 0.00 0.00 0.00 36.38 35.50 2qsi s VAL 102 CO 0.00 0.35 0.45 -0.63 0.00 0.00 0.00 175.10 175.27 2qsi s ILE 103 N 0.98 4.57 0.05 2.22 1.01 -1.26 -5.07 121.20 123.70 2qsi s ILE 103 Ca -0.09 -1.97 -0.01 0.00 0.00 0.00 0.00 60.65 58.58 2qsi s ILE 103 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2qsi s ILE 103 CO 0.00 -0.85 0.22 0.00 0.00 0.00 0.00 174.94 174.31 2qsi s ALA 104 N 1.07 3.98 0.31 9.38 0.00 -1.26 -4.94 121.76 130.29 2qsi s ALA 104 Ca 0.08 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2qsi s ALA 104 Cb -0.24 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.01 2qsi s ALA 104 CO -0.02 0.79 0.00 1.63 0.00 0.00 0.00 175.76 178.17 2qsi n LYS 105 N 0.46 -2.02 -2.98 0.00 5.02 -1.26 -4.82 118.16 112.57 2qsi n LYS 105 Ca -0.06 1.49 -0.41 0.00 -2.02 0.00 0.00 58.31 57.31 2qsi n LYS 105 Cb 0.51 -2.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.06 2qsi n LYS 105 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2qsi s ILE 106 N -2.72 4.92 0.41 -0.18 1.10 -1.26 -5.04 121.20 118.43 2qsi s ILE 106 Ca 0.00 1.44 0.07 0.00 -0.51 0.00 0.00 60.65 61.65 2qsi s ILE 106 Cb 0.00 -4.06 -0.08 0.00 0.15 0.00 0.00 42.46 38.47 2qsi s ILE 106 CO 0.00 0.03 0.01 -1.10 -2.11 0.00 0.00 174.94 171.77 2qsi s GLN 107 N 2.25 1.96 0.58 3.50 -0.21 -1.26 -5.14 119.66 121.34 2qsi s GLN 107 Ca 0.34 -2.10 -0.09 0.00 0.02 0.00 0.00 55.36 53.52 2qsi s GLN 107 Cb -0.16 -1.64 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 2qsi s GLN 107 CO 0.10 -0.05 0.96 0.16 -2.12 0.00 0.00 175.29 174.35 2qsi s ASP 108 N -3.71 6.19 0.21 5.90 1.47 -1.26 -4.90 116.67 120.57 2qsi s ASP 108 Ca 0.35 1.25 -0.09 0.00 1.18 0.00 0.00 52.55 55.23 2qsi s ASP 108 Cb 0.10 -2.36 0.30 0.00 -0.34 0.00 0.00 42.92 40.61 2qsi s ASP 108 CO 0.18 -0.81 1.72 -0.25 0.68 0.00 0.00 175.17 176.69 2qsi h TRP 109 N -0.17 0.27 -0.81 2.11 2.91 -2.00 -1.77 115.95 116.47 2qsi h TRP 109 Ca -0.45 0.03 0.01 0.00 1.13 0.00 0.00 58.89 59.62 2qsi h TRP 109 Cb 1.20 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 29.78 2qsi h TRP 109 CO 0.63 0.01 0.54 0.66 -1.03 0.00 0.00 178.44 179.24 2qsi h SER 110 N 0.31 0.92 -0.44 2.65 4.64 -1.99 -1.35 113.55 118.29 2qsi h SER 110 Ca 0.32 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 2qsi h SER 110 Cb 0.45 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2qsi h SER 110 CO -0.38 0.66 0.24 0.28 -0.87 0.00 0.00 176.83 176.76 2qsi h SER 111 N 1.08 0.55 -0.23 4.97 0.02 -1.74 -0.16 113.55 118.04 2qsi h SER 111 Ca 0.31 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2qsi h SER 111 Cb -0.10 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 2qsi h SER 111 CO -0.08 0.48 0.10 1.88 -1.14 0.00 0.00 176.83 178.08 2qsi h TYR 112 N 0.57 0.19 -0.63 3.45 0.05 -0.94 -0.87 116.97 118.79 2qsi h TYR 112 Ca 0.15 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.91 2qsi h TYR 112 Cb 0.06 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 2qsi h TYR 112 CO -0.02 0.10 0.27 -0.07 -1.05 0.00 0.00 178.16 177.39 2qsi h LEU 113 N 0.22 0.86 -0.52 3.88 3.38 -1.13 -0.27 115.31 121.73 2qsi h LEU 113 Ca 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2qsi h LEU 113 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2qsi h LEU 113 CO -0.08 0.78 0.21 0.00 0.09 0.00 0.00 178.44 179.44 2qsi h ALA 114 N 1.11 0.67 -0.11 1.53 0.00 -0.84 0.24 119.26 121.86 2qsi h ALA 114 Ca 0.21 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2qsi h ALA 114 Cb 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qsi h ALA 114 CO -0.02 0.28 -0.11 1.96 0.00 0.00 0.00 179.25 181.37 2qsi h GLN 115 N 0.70 0.26 -0.34 0.00 4.20 -0.91 -0.48 115.11 118.53 2qsi h GLN 115 Ca 0.17 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2qsi h GLN 115 Cb 0.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2qsi h GLN 115 CO -0.01 0.67 0.21 0.82 -0.67 0.00 0.00 178.83 179.85 2qsi h ILE 116 N -0.14 1.11 -0.68 2.54 2.04 -1.05 -2.62 117.51 118.71 2qsi h ILE 116 Ca 0.02 -0.23 0.10 0.00 1.00 0.00 0.00 64.86 65.74 2qsi h ILE 116 Cb 0.62 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2qsi h ILE 116 CO 0.03 0.11 0.31 1.23 0.00 0.00 0.00 178.15 179.83 2qsi h GLY 117 N 0.45 1.01 -1.37 5.37 0.00 -0.88 -0.84 103.07 106.80 2qsi h GLY 117 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2qsi h GLY 117 CO -0.02 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2qsi n ALA 118 N -2.43 1.43 0.00 3.60 0.00 -0.20 -0.88 120.51 122.04 2qsi n ALA 118 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2qsi n ALA 118 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2qsi n ALA 118 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qsi n LEU 120 N 0.59 0.00 -0.25 0.00 4.77 -0.32 -1.71 117.00 120.08 2qsi n LEU 120 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 2qsi n LEU 120 Cb 0.06 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2qsi n LEU 120 CO 0.00 0.00 1.08 0.00 -1.33 0.00 0.00 177.39 177.14 2qsi h ALA 121 N 0.00 0.90 -0.64 -1.18 0.00 -1.26 -0.93 119.26 116.15 2qsi h ALA 121 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2qsi h ALA 121 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2qsi h ALA 121 CO 0.00 0.44 0.07 1.49 0.00 0.00 0.00 179.25 181.25 2qsi h GLU 122 N 0.97 1.07 -0.50 0.00 4.57 -1.59 0.41 114.58 119.51 2qsi h GLU 122 Ca 0.24 -0.30 0.06 0.00 -1.18 0.00 0.00 59.36 58.18 2qsi h GLU 122 Cb 0.08 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.50 2qsi h GLU 122 CO -0.03 1.00 0.22 0.28 -1.18 0.00 0.00 179.01 179.29 2qsi h VAL 123 N 0.99 0.90 0.00 0.32 2.07 -1.77 -2.11 116.25 116.65 2qsi h VAL 123 Ca 0.19 -0.15 -0.16 0.00 0.82 0.00 0.00 66.70 67.40 2qsi h VAL 123 Cb 0.47 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2qsi h VAL 123 CO 0.02 0.08 -0.84 0.44 0.02 0.00 0.00 177.57 177.29 2qsi h ASP 124 N 0.43 0.00 -2.27 0.57 3.32 -0.41 -3.37 116.42 114.68 2qsi h ASP 124 Ca 0.23 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.70 2qsi h ASP 124 Cb 0.19 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.36 2qsi h ASP 124 CO -0.20 0.72 -1.00 0.00 -1.72 0.00 0.00 179.24 177.05 2qsi n GLN 125 N -3.23 0.41 0.00 3.56 6.02 0.14 -5.08 117.38 119.19 2qsi n GLN 125 Ca -0.01 -3.24 0.14 0.00 -0.01 0.00 0.00 57.00 53.89 2qsi n GLN 125 Cb 0.84 -1.56 0.85 0.00 1.02 0.00 0.00 30.24 31.39 2qsi n GLN 125 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70