#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 2.74 0.05 3.45 -4.23 -1.26 -4.16 115.64 112.23 2qsi s THR 16 Ca 0.00 0.48 -0.30 0.00 -1.18 0.00 0.00 61.69 60.69 2qsi s THR 16 Cb 0.00 -3.21 -0.05 0.00 1.34 0.00 0.00 72.50 70.59 2qsi s THR 16 CO 0.00 -0.08 1.04 -0.76 -0.54 0.00 0.00 174.62 174.28 2qsi s LEU 17 N -3.82 4.41 0.17 4.79 1.43 -1.26 -0.59 118.68 123.80 2qsi s LEU 17 Ca 0.74 1.81 0.08 0.00 -1.03 0.00 0.00 54.13 55.73 2qsi s LEU 17 Cb -0.30 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 2qsi s LEU 17 CO 0.33 -0.26 -0.17 0.68 0.23 0.00 0.00 176.35 177.16 2qsi s VAL 18 N 0.69 1.73 0.13 -1.59 -7.23 -0.02 -4.91 120.40 109.19 2qsi s VAL 18 Ca 0.52 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 2qsi s VAL 18 Cb -0.24 -1.84 -0.00 0.00 0.56 0.00 0.00 36.38 34.86 2qsi s VAL 18 CO 0.29 -0.39 0.04 -0.90 -0.31 0.00 0.00 175.10 173.83 2qsi n ASP 19 N 0.19 1.23 0.22 4.85 5.68 -1.26 -0.30 116.55 127.16 2qsi n ASP 19 Ca -0.12 -1.65 0.07 0.00 -0.50 0.00 0.00 54.79 52.58 2qsi n ASP 19 Cb 0.58 0.28 0.52 0.00 -1.14 0.00 0.00 41.12 41.36 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 0.00 0.11 5.08 -1.95 -1.47 114.58 116.34 2qsi h GLU 20 Ca -0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2qsi h GLU 20 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2qsi h GLU 20 CO 0.16 0.23 -0.26 0.00 -1.00 0.00 0.00 179.01 178.13 2qsi h ALA 21 N 1.77 0.84 0.00 3.43 0.00 -2.02 -3.39 119.26 119.90 2qsi h ALA 21 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2qsi h ALA 21 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2qsi h ALA 21 CO 0.03 0.28 -1.19 0.25 0.00 0.00 0.00 179.25 178.63 2qsi n THR 22 N -3.14 0.00 -0.24 0.00 -2.24 -1.05 -4.74 114.28 102.87 2qsi n THR 22 Ca 0.03 -0.21 -0.06 0.00 -2.27 0.00 0.00 64.05 61.54 2qsi n THR 22 Cb 0.62 0.44 0.04 0.00 -2.10 0.00 0.00 70.33 69.34 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 1.20 -0.38 2.28 3.04 -1.47 -1.57 116.25 119.36 2qsi h VAL 23 Ca 0.00 -0.50 -0.16 0.00 -1.01 0.00 0.00 66.70 65.03 2qsi h VAL 23 Cb 0.33 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 2qsi h VAL 23 CO 0.00 0.22 -0.39 0.44 -1.01 0.00 0.00 177.57 176.83 2qsi h ASP 24 N 0.90 1.00 -0.39 3.17 5.19 -1.85 -2.09 116.42 122.34 2qsi h ASP 24 Ca 0.23 -0.47 -0.06 0.00 -0.62 0.00 0.00 57.03 56.11 2qsi h ASP 24 Cb 0.03 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.24 2qsi h ASP 24 CO -0.04 1.26 0.03 0.44 -3.12 0.00 0.00 179.24 177.81 2qsi h ASP 25 N 0.75 0.72 -0.38 6.45 3.32 -1.83 -2.00 116.42 123.45 2qsi h ASP 25 Ca 0.06 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2qsi h ASP 25 Cb 0.99 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 2qsi h ASP 25 CO 0.10 0.77 0.22 0.15 -1.72 0.00 0.00 179.24 178.76 2qsi h PHE 26 N 0.72 0.51 -0.00 4.55 3.57 -0.78 -2.99 116.94 122.52 2qsi h PHE 26 Ca 0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2qsi h PHE 26 Cb 0.40 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2qsi h PHE 26 CO 0.02 0.38 -0.30 0.44 -2.23 0.00 0.00 178.31 176.62 2qsi n ILE 27 N -4.77 0.00 -1.67 1.41 -5.35 -0.83 -4.93 119.36 103.22 2qsi n ILE 27 Ca -0.00 -0.06 -0.45 0.00 -0.27 0.00 0.00 62.75 61.97 2qsi n ILE 27 Cb 0.06 0.19 -0.03 0.00 -1.74 0.00 0.00 39.64 38.13 2qsi n ILE 27 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qsi n ALA 28 N -1.07 1.15 -1.47 -1.28 0.00 -0.76 -2.82 120.51 114.25 2qsi n ALA 28 Ca 0.10 0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.79 2qsi n ALA 28 Cb 0.33 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 17.43 2qsi n ALA 28 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2qsi n HIS 29 N 1.92 0.00 0.14 0.00 8.25 -1.26 -4.87 115.22 119.40 2qsi n HIS 29 Ca 0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.56 2qsi n HIS 29 Cb 0.32 -2.94 0.20 0.00 1.12 0.00 0.00 29.99 28.69 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 0.00 0.05 -1.50 0.41 4.64 -1.88 -3.47 113.55 111.81 2qsi h SER 30 Ca -0.33 -0.03 -0.39 0.00 -0.47 0.00 0.00 61.79 60.56 2qsi h SER 30 Cb 1.14 -0.02 -0.13 0.00 -0.31 0.00 0.00 62.40 63.09 2qsi h SER 30 CO 0.49 0.60 -0.39 0.61 -0.87 0.00 0.00 176.83 177.27 2qsi n GLY 31 N 0.09 1.37 3.56 -0.77 0.00 -1.26 -4.97 105.19 103.21 2qsi n GLY 31 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.92 1.85 -0.03 1.61 1.02 -1.26 -4.98 119.74 114.03 2qsi s LYS 32 Ca 0.00 -2.03 -0.16 0.00 0.02 0.00 0.00 55.97 53.80 2qsi s LYS 32 Cb 0.00 -1.42 -0.05 0.00 -0.52 0.00 0.00 37.83 35.84 2qsi s LYS 32 CO 0.00 -0.07 0.43 0.42 -0.92 0.00 0.00 175.35 175.21 2qsi s ILE 33 N -2.87 5.05 -0.15 2.17 -1.09 0.13 -4.52 121.20 119.92 2qsi s ILE 33 Ca 0.35 0.88 -0.10 0.00 -2.23 0.00 0.00 60.65 59.55 2qsi s ILE 33 Cb 0.09 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 2qsi s ILE 33 CO 0.17 0.51 0.20 -0.69 -1.23 0.00 0.00 174.94 173.90 2qsi s VAL 34 N -0.61 5.38 -0.30 2.92 1.01 -0.24 -1.07 120.40 127.49 2qsi s VAL 34 Ca 0.24 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 2qsi s VAL 34 Cb -0.16 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.75 2qsi s VAL 34 CO 0.13 0.49 0.02 -0.69 0.00 0.00 0.00 175.10 175.05 2qsi s VAL 35 N -0.12 3.26 -0.27 2.92 1.01 0.70 -0.85 120.40 127.05 2qsi s VAL 35 Ca 0.13 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 2qsi s VAL 35 Cb -0.12 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2qsi s VAL 35 CO 0.02 -0.06 0.15 -0.76 0.00 0.00 0.00 175.10 174.45 2qsi s LEU 36 N 1.32 3.83 -0.28 3.92 1.43 0.28 -1.65 118.68 127.53 2qsi s LEU 36 Ca -0.03 -0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 52.85 2qsi s LEU 36 Cb -0.19 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 2qsi s LEU 36 CO -0.00 -0.04 0.38 0.12 0.23 0.00 0.00 176.35 177.03 2qsi s PHE 37 N 1.70 3.24 -0.35 0.29 5.36 0.08 -0.59 117.98 127.71 2qsi s PHE 37 Ca 0.07 0.34 -0.12 0.00 -0.96 0.00 0.00 56.93 56.26 2qsi s PHE 37 Cb -0.16 -2.60 -0.00 0.00 -0.34 0.00 0.00 43.02 39.92 2qsi s PHE 37 CO 0.08 -0.27 0.22 -0.06 -1.46 0.00 0.00 175.22 173.74 2qsi s PHE 38 N 2.08 3.22 0.00 10.12 0.08 -0.25 -1.09 117.98 132.13 2qsi s PHE 38 Ca 0.15 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.71 2qsi s PHE 38 Cb -0.16 -2.46 0.00 0.00 -0.57 0.00 0.00 43.02 39.83 2qsi s PHE 38 CO 0.10 -0.47 0.00 -2.13 -0.10 0.00 0.00 175.22 172.62 2qsi n ARG 39 N 5.07 0.00 0.00 0.44 0.63 -1.26 -0.77 116.66 120.76 2qsi n ARG 39 Ca -0.12 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2qsi n ARG 39 Cb 0.48 -0.56 0.00 0.00 0.45 0.00 0.00 32.46 32.83 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 2.02 2.29 3.63 5.14 0.00 -1.26 -3.88 105.19 113.13 2qsi n GLY 40 Ca 0.00 -1.97 -0.47 0.00 0.00 0.00 0.00 46.02 43.58 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 2.11 0.28 1.61 2.03 -1.26 -4.80 116.55 116.52 2qsi n ASP 41 Ca 0.00 1.14 0.12 0.00 0.52 0.00 0.00 54.79 56.57 2qsi n ASP 41 Cb 0.00 -1.32 0.81 0.00 -0.72 0.00 0.00 41.12 39.89 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 3.99 1.69 0.07 -1.67 0.00 -1.95 0.17 119.26 121.55 2qsi h ALA 42 Ca -0.44 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 2qsi h ALA 42 Cb 1.31 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.11 2qsi h ALA 42 CO 0.74 0.01 -0.82 0.28 0.00 0.00 0.00 179.25 179.46 2qsi h VAL 43 N 0.00 1.42 0.00 0.00 2.07 -1.98 -2.91 116.25 114.85 2qsi h VAL 43 Ca -0.00 -2.32 -0.18 0.00 0.82 0.00 0.00 66.70 65.02 2qsi h VAL 43 Cb 0.01 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 2qsi h VAL 43 CO 0.00 0.67 -1.34 0.03 0.02 0.00 0.00 177.57 176.95 2qsi h ARG 44 N -0.11 0.00 -1.83 1.57 3.08 -1.90 -3.40 114.38 111.80 2qsi h ARG 44 Ca -0.12 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.43 2qsi h ARG 44 Cb 1.56 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.20 2qsi h ARG 44 CO 0.16 0.38 -1.00 1.19 -1.07 0.00 0.00 179.97 179.62 2qsi n PHE 45 N -2.97 1.73 0.07 3.04 3.72 0.56 -4.92 117.46 118.70 2qsi n PHE 45 Ca -0.09 -3.59 0.11 0.00 -0.05 0.00 0.00 57.45 53.83 2qsi n PHE 45 Cb 0.87 -0.39 0.58 0.00 -0.94 0.00 0.00 39.48 39.59 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 2.95 0.20 0.00 -1.08 0.13 -1.69 -1.35 132.00 131.15 2qsi h PRO 46 Ca 0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2qsi h PRO 46 Cb 0.88 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2qsi h PRO 46 CO 0.62 0.13 0.00 -0.85 -0.23 0.00 0.00 178.00 177.67 2qsi n GLU 47 N -4.48 0.17 -0.06 0.86 0.00 -1.26 -2.49 120.64 113.38 2qsi n GLU 47 Ca 0.04 0.41 0.18 0.00 0.00 0.00 0.00 57.16 57.79 2qsi n GLU 47 Cb 0.26 -1.83 0.61 0.00 0.00 0.00 0.00 31.44 30.48 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 2.28 2.33 -0.03 -1.84 0.00 -1.53 -1.79 119.26 118.68 2qsi h ALA 48 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2qsi h ALA 48 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2qsi h ALA 48 CO 0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 179.25 178.53 2qsi h ALA 49 N 1.70 1.57 -0.48 0.00 0.00 -1.69 0.11 119.26 120.47 2qsi h ALA 49 Ca 0.29 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2qsi h ALA 49 Cb 0.91 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2qsi h ALA 49 CO -0.05 0.32 -0.20 -0.44 0.00 0.00 0.00 179.25 178.89 2qsi h ASP 50 N 0.04 0.98 -0.45 0.00 3.32 -1.55 -2.17 116.42 116.61 2qsi h ASP 50 Ca 0.01 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 2qsi h ASP 50 Cb 0.43 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2qsi h ASP 50 CO 0.03 1.15 0.11 0.25 -1.72 0.00 0.00 179.24 179.05 2qsi h LEU 51 N 0.84 0.68 -1.00 1.55 5.85 -1.33 -2.57 115.31 119.33 2qsi h LEU 51 Ca 0.11 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.70 2qsi h LEU 51 Cb 0.77 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 2qsi h LEU 51 CO 0.06 0.74 0.63 0.00 -0.34 0.00 0.00 178.44 179.53 2qsi h ALA 52 N 0.97 1.45 -0.40 1.25 0.00 -0.83 -0.62 119.26 121.08 2qsi h ALA 52 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2qsi h ALA 52 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qsi h ALA 52 CO 0.00 0.32 -0.26 -0.39 0.00 0.00 0.00 179.25 178.92 2qsi h VAL 53 N 1.07 1.27 -0.03 0.00 -1.51 -1.22 -3.19 116.25 112.64 2qsi h VAL 53 Ca 0.47 -1.40 -0.14 0.00 -1.23 0.00 0.00 66.70 64.39 2qsi h VAL 53 Cb 0.35 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 2qsi h VAL 53 CO -0.23 0.47 -0.62 -0.37 -1.23 0.00 0.00 177.57 175.59 2qsi h VAL 54 N 0.72 1.42 -0.17 7.19 -1.51 -0.96 -3.38 116.25 119.56 2qsi h VAL 54 Ca 0.09 -2.08 0.05 0.00 -1.23 0.00 0.00 66.70 63.53 2qsi h VAL 54 Cb 0.80 2.09 -0.07 0.00 -2.13 0.00 0.00 31.29 31.98 2qsi h VAL 54 CO 0.07 0.60 -0.37 0.25 -1.23 0.00 0.00 177.57 176.89 2qsi h LEU 55 N 0.09 -1.15 -1.69 4.19 5.85 -1.12 -0.44 115.31 121.04 2qsi h LEU 55 Ca -0.01 0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.93 2qsi h LEU 55 Cb 1.12 0.49 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 2qsi h LEU 55 CO 0.09 -0.38 0.31 -0.65 -0.34 0.00 0.00 178.44 177.46 2qsi h PRO 56 N -0.42 0.37 -0.41 5.25 0.11 -1.75 0.10 132.00 135.26 2qsi h PRO 56 Ca 0.10 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 2qsi h PRO 56 Cb 0.58 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 2qsi h PRO 56 CO -0.40 0.25 -0.06 0.93 -0.21 0.00 0.00 178.00 178.51 2qsi h GLU 57 N 0.38 0.69 -0.30 1.05 4.39 -1.34 -1.42 114.58 118.04 2qsi h GLU 57 Ca 0.20 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2qsi h GLU 57 Cb 0.30 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2qsi h GLU 57 CO -0.05 0.75 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.36 2qsi h LEU 58 N 0.64 0.64 -1.05 1.33 4.07 0.05 -2.08 115.31 118.90 2qsi h LEU 58 Ca 0.12 -0.40 -0.00 0.00 0.08 0.00 0.00 57.88 57.68 2qsi h LEU 58 Cb 0.49 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.01 2qsi h LEU 58 CO 0.03 0.89 0.53 0.40 -1.08 0.00 0.00 178.44 179.21 2qsi h ILE 59 N 0.38 1.24 0.00 1.22 1.08 -1.17 -2.33 117.51 117.93 2qsi h ILE 59 Ca 0.07 -0.51 -0.05 0.00 -0.39 0.00 0.00 64.86 63.98 2qsi h ILE 59 Cb 0.64 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 2qsi h ILE 59 CO 0.04 0.25 -0.25 -1.13 -0.69 0.00 0.00 178.15 176.37 2qsi h ASN 60 N 1.20 0.00 1.05 1.72 -0.73 -1.02 -3.13 115.58 114.66 2qsi h ASN 60 Ca 0.31 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.48 2qsi h ASN 60 Cb -0.06 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.53 2qsi h ASN 60 CO -0.06 0.25 0.00 0.00 -0.37 0.00 0.00 177.43 177.25 2qsi n ALA 61 N -2.33 2.06 -3.58 1.57 0.00 -0.80 -4.00 120.51 113.42 2qsi n ALA 61 Ca -0.01 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.14 2qsi n ALA 61 Cb 0.36 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.97 2.31 -1.63 0.00 3.72 -1.18 -5.10 117.46 113.60 2qsi n PHE 62 Ca 0.05 -4.02 -0.53 0.00 -0.05 0.00 0.00 57.45 52.90 2qsi n PHE 62 Cb 0.32 -0.43 -0.06 0.00 -0.94 0.00 0.00 39.48 38.37 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 1.67 1.29 -0.88 -1.08 -0.02 -1.26 -1.76 135.00 132.97 2qsi n PRO 63 Ca 0.25 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2qsi n PRO 63 Cb 0.41 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 3.13 0.78 0.10 -1.23 0.00 -1.26 -4.88 105.19 101.83 2qsi n GLY 64 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 0.76 -4.29 1.61 5.12 -0.72 -4.84 116.66 112.30 2qsi n ARG 65 Ca 0.00 -0.01 -0.21 0.00 -1.93 0.00 0.00 57.85 55.70 2qsi n ARG 65 Cb 0.00 -1.51 -0.13 0.00 -1.16 0.00 0.00 32.46 29.66 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 -5.46 2.25 0.03 0.55 1.43 -1.26 -0.70 118.68 115.54 2qsi s LEU 66 Ca -0.10 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.46 2qsi s LEU 66 Cb 0.06 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 2qsi s LEU 66 CO 0.81 0.01 -0.17 0.54 0.23 0.00 0.00 176.35 177.77 2qsi s VAL 67 N -1.11 1.36 0.12 -1.59 0.11 -0.23 -4.89 120.40 114.17 2qsi s VAL 67 Ca 0.02 -1.03 0.10 0.00 -2.93 0.00 0.00 61.98 58.14 2qsi s VAL 67 Cb -0.09 -1.20 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 2qsi s VAL 67 CO 0.03 0.14 -0.25 0.00 -3.33 0.00 0.00 175.10 171.68 2qsi s ALA 68 N -0.76 2.22 -0.05 1.54 0.00 -1.26 -0.22 121.76 123.24 2qsi s ALA 68 Ca 0.05 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.47 2qsi s ALA 68 Cb -0.08 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.72 2qsi s ALA 68 CO 0.01 0.49 0.32 0.00 0.00 0.00 0.00 175.76 176.58 2qsi s ALA 69 N -1.08 -0.80 -0.15 0.00 0.00 -0.66 -4.23 121.76 114.85 2qsi s ALA 69 Ca 0.12 0.50 -0.08 0.00 0.00 0.00 0.00 51.96 52.50 2qsi s ALA 69 Cb -0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2qsi s ALA 69 CO 0.05 -0.23 0.13 -2.00 0.00 0.00 0.00 175.76 173.71 2qsi s GLU 70 N -0.90 3.75 -0.05 0.00 2.12 0.24 -0.74 118.70 123.12 2qsi s GLU 70 Ca -0.10 -0.19 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 2qsi s GLU 70 Cb -0.04 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 2qsi s GLU 70 CO 0.03 0.55 1.07 0.08 -0.54 0.00 0.00 175.26 176.46 2qsi s VAL 71 N -0.38 4.58 0.51 3.70 1.01 -0.25 -0.84 120.40 128.73 2qsi s VAL 71 Ca 0.11 1.86 -0.23 0.00 0.00 0.00 0.00 61.98 63.73 2qsi s VAL 71 Cb -0.12 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 2qsi s VAL 71 CO 0.01 0.05 1.33 0.00 0.00 0.00 0.00 175.10 176.49 2qsi s ALA 72 N 1.74 2.93 0.21 5.51 0.00 0.58 -4.73 121.76 128.00 2qsi s ALA 72 Ca 0.52 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.63 2qsi s ALA 72 Cb -0.22 -3.53 0.27 0.00 0.00 0.00 0.00 23.12 19.64 2qsi s ALA 72 CO 0.22 -1.19 1.65 0.00 0.00 0.00 0.00 175.76 176.45 2qsi h ALA 73 N 1.75 0.54 0.00 0.00 0.00 -1.95 -0.32 119.26 119.27 2qsi h ALA 73 Ca -0.51 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qsi h ALA 73 Cb 1.28 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 2qsi h ALA 73 CO 0.59 -0.41 -0.00 1.05 0.00 0.00 0.00 179.25 180.47 2qsi h GLU 74 N 0.07 0.00 -0.01 0.00 9.09 -1.97 -2.54 114.58 119.22 2qsi h GLU 74 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.72 2qsi h GLU 74 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 2qsi h GLU 74 CO -0.56 0.00 -0.22 0.00 0.05 0.00 0.00 179.01 178.28 2qsi n ALA 75 N -2.09 3.02 0.13 1.06 0.00 -0.15 -4.53 120.51 117.95 2qsi n ALA 75 Ca -0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 53.44 52.85 2qsi n ALA 75 Cb 0.22 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 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 1.70 -0.25 -0.14 0.00 5.08 -1.25 -0.67 114.58 119.05 2qsi h GLU 76 Ca 0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2qsi h GLU 76 Cb 0.55 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2qsi h GLU 76 CO 0.00 -0.14 -0.07 -0.09 -1.00 0.00 0.00 179.01 177.72 2qsi h ARG 77 N -0.30 -0.05 -0.39 2.33 2.43 -1.81 -3.11 114.38 113.48 2qsi h ARG 77 Ca -0.03 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 2qsi h ARG 77 Cb 0.23 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2qsi h ARG 77 CO 0.04 -0.03 -0.25 0.78 -1.51 0.00 0.00 179.97 179.00 2qsi h GLY 78 N -0.05 0.93 -3.26 2.80 0.00 -1.83 -2.49 103.07 99.17 2qsi h GLY 78 Ca 0.08 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 2qsi h GLY 78 CO -0.17 0.80 -0.01 1.04 0.00 0.00 0.00 176.54 178.19 2qsi n LEU 79 N -4.19 4.26 0.00 3.11 4.77 -0.27 -1.37 117.00 123.31 2qsi n LEU 79 Ca -0.02 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 2qsi n LEU 79 Cb 0.47 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2qsi n LEU 79 CO 0.46 0.83 0.00 0.00 -1.33 0.00 0.00 177.39 177.35 2qsi n ALA 81 N 1.66 0.00 -0.07 -1.18 0.00 -0.94 -1.29 120.51 118.69 2qsi n ALA 81 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 2qsi n ALA 81 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 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 0.35 -0.02 0.00 2.43 -1.50 -3.23 114.38 112.41 2qsi h ARG 82 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2qsi h ARG 82 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2qsi h ARG 82 CO 0.00 0.27 -0.25 1.19 -1.51 0.00 0.00 179.97 179.67 2qsi n PHE 83 N -4.88 0.00 -2.25 2.20 3.72 -0.41 -4.98 117.46 110.86 2qsi n PHE 83 Ca -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 2qsi n PHE 83 Cb 0.05 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 1.35 0.63 3.39 1.37 0.00 -1.22 -5.06 105.19 105.65 2qsi n GLY 84 Ca 0.12 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.01 3.47 -0.40 1.61 1.01 -1.26 -5.00 120.40 116.82 2qsi s VAL 85 Ca 0.01 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.55 2qsi s VAL 85 Cb -0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2qsi s VAL 85 CO 0.02 0.47 0.36 0.00 0.00 0.00 0.00 175.10 175.95 2qsi n ALA 86 N 4.05 2.65 -2.71 5.51 0.00 -1.26 -4.58 120.51 124.17 2qsi n ALA 86 Ca -0.18 -0.27 -0.18 0.00 0.00 0.00 0.00 53.44 52.82 2qsi n ALA 86 Cb 0.52 -0.20 -0.14 0.00 0.00 0.00 0.00 19.45 19.63 2qsi n ALA 86 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qsi s VAL 87 N -1.23 0.65 0.16 0.00 1.01 -1.26 -5.15 120.40 114.58 2qsi s VAL 87 Ca 0.03 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.69 2qsi s VAL 87 Cb 0.04 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2qsi s VAL 87 CO 0.18 0.13 -0.17 0.00 0.00 0.00 0.00 175.10 175.24 2qsi s PRO 89 N -2.52 3.11 0.18 0.00 0.04 -1.25 -5.02 135.00 129.54 2qsi s PRO 89 Ca 0.21 1.28 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 2qsi s PRO 89 Cb -0.09 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.51 2qsi s PRO 89 CO 0.11 -0.99 0.61 -1.54 0.04 0.00 0.00 177.00 175.24 2qsi s SER 90 N -2.70 -0.50 -0.22 6.66 1.04 0.05 -5.00 113.70 113.02 2qsi s SER 90 Ca 0.65 -0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.93 2qsi s SER 90 Cb -0.18 0.62 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 2qsi s SER 90 CO 0.39 -1.03 -0.07 -0.76 0.98 0.00 0.00 173.24 172.75 2qsi s LEU 91 N -2.78 2.78 -0.25 2.42 1.43 -1.26 -1.09 118.68 119.93 2qsi s LEU 91 Ca 0.03 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 2qsi s LEU 91 Cb -0.02 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 2qsi s LEU 91 CO -0.10 -0.03 0.45 0.00 0.23 0.00 0.00 176.35 176.91 2qsi s ALA 92 N 1.43 3.57 -0.32 4.21 0.00 0.24 -4.92 121.76 125.98 2qsi s ALA 92 Ca 0.05 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 2qsi s ALA 92 Cb -0.14 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2qsi s ALA 92 CO -0.05 -0.61 0.15 0.08 0.00 0.00 0.00 175.76 175.32 2qsi s VAL 93 N 2.00 4.47 -0.10 0.00 1.01 -1.26 -0.56 120.40 125.96 2qsi s VAL 93 Ca 0.19 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2qsi s VAL 93 Cb -0.15 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.92 2qsi s VAL 93 CO 0.09 0.02 -0.13 -0.69 0.00 0.00 0.00 175.10 174.39 2qsi s VAL 94 N 1.58 1.30 -0.50 2.92 1.01 -0.03 -4.99 120.40 121.69 2qsi s VAL 94 Ca 0.04 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 2qsi s VAL 94 Cb -0.17 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.02 2qsi s VAL 94 CO 0.06 0.40 1.14 -1.58 0.00 0.00 0.00 175.10 175.12 2qsi s GLN 95 N 1.12 3.66 0.79 2.72 0.74 -1.26 -1.08 119.66 126.34 2qsi s GLN 95 Ca -0.05 0.47 -0.11 0.00 0.05 0.00 0.00 55.36 55.72 2qsi s GLN 95 Cb -0.14 -3.93 0.07 0.00 1.10 0.00 0.00 33.01 30.10 2qsi s GLN 95 CO -0.03 -1.44 1.10 -1.25 -0.55 0.00 0.00 175.29 173.12 2qsi s PRO 96 N 4.52 2.12 0.31 1.67 0.04 -1.26 -4.96 135.00 137.44 2qsi s PRO 96 Ca 0.46 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 2qsi s PRO 96 Cb -0.07 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 2qsi s PRO 96 CO 0.30 -1.76 1.55 -1.91 0.04 0.00 0.00 177.00 175.22 2qsi n GLU 97 N -3.57 2.63 -3.71 4.56 2.13 -1.26 -5.00 120.64 116.42 2qsi n GLU 97 Ca 0.10 0.93 -0.12 0.00 0.66 0.00 0.00 57.16 58.73 2qsi n GLU 97 Cb 0.53 -2.69 -0.07 0.00 0.27 0.00 0.00 31.44 29.48 2qsi n GLU 97 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 2qsi s ARG 98 N -0.91 0.87 -0.22 5.31 1.70 -1.26 -4.96 118.95 119.49 2qsi s ARG 98 Ca 0.62 -0.46 -0.25 0.00 -0.47 0.00 0.00 55.73 55.17 2qsi s ARG 98 Cb -0.50 0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 34.25 2qsi s ARG 98 CO 0.53 -0.29 0.82 0.99 -1.08 0.00 0.00 175.30 176.27 2qsi s THR 99 N -2.59 4.85 0.10 4.99 2.01 -1.26 -4.93 115.64 118.81 2qsi s THR 99 Ca -0.05 1.57 0.09 0.00 0.31 0.00 0.00 61.69 63.62 2qsi s THR 99 Cb -0.01 -4.12 -0.12 0.00 0.01 0.00 0.00 72.50 68.26 2qsi s THR 99 CO -0.03 -0.04 1.38 -0.07 -0.69 0.00 0.00 174.62 175.16 2qsi h LEU 100 N 8.90 0.00 0.00 4.42 3.38 -2.03 -3.48 115.31 126.50 2qsi h LEU 100 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2qsi h LEU 100 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2qsi h LEU 100 CO 0.86 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.83 2qsi n GLY 101 N 1.11 0.82 3.03 0.83 0.00 -1.26 -5.11 105.19 104.61 2qsi n GLY 101 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 0.97 -0.36 1.61 1.01 -1.26 -5.11 120.40 115.26 2qsi s VAL 102 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2qsi s VAL 102 Cb 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 36.38 35.59 2qsi s VAL 102 CO 0.00 0.30 0.12 -0.63 0.00 0.00 0.00 175.10 174.89 2qsi s ILE 103 N 0.30 3.26 -0.15 2.22 1.01 -1.26 -5.09 121.20 121.49 2qsi s ILE 103 Ca -0.06 -1.70 -0.12 0.00 0.00 0.00 0.00 60.65 58.77 2qsi s ILE 103 Cb -0.11 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 2qsi s ILE 103 CO 0.01 -0.42 0.23 0.00 0.00 0.00 0.00 174.94 174.76 2qsi s ALA 104 N 1.21 3.68 0.19 9.38 0.00 -1.26 -4.93 121.76 130.03 2qsi s ALA 104 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2qsi s ALA 104 Cb -0.21 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.66 2qsi s ALA 104 CO -0.02 0.24 0.00 1.63 0.00 0.00 0.00 175.76 177.61 2qsi n LYS 105 N 3.11 -1.25 -2.59 0.00 4.76 -1.26 -4.83 118.16 116.11 2qsi n LYS 105 Ca -0.15 0.92 -0.42 0.00 -2.87 0.00 0.00 58.31 55.79 2qsi n LYS 105 Cb 0.52 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 2qsi n LYS 105 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2qsi s ILE 106 N -2.37 4.54 0.32 -0.18 1.10 -1.26 -5.03 121.20 118.33 2qsi s ILE 106 Ca 0.00 1.83 0.06 0.00 -0.51 0.00 0.00 60.65 62.03 2qsi s ILE 106 Cb 0.00 -4.18 -0.06 0.00 0.15 0.00 0.00 42.46 38.37 2qsi s ILE 106 CO 0.00 0.03 -0.01 -1.10 -2.11 0.00 0.00 174.94 171.75 2qsi s GLN 107 N 1.88 1.69 0.74 3.50 -1.52 -1.26 -5.15 119.66 119.53 2qsi s GLN 107 Ca 0.52 -1.90 -0.12 0.00 -1.95 0.00 0.00 55.36 51.92 2qsi s GLN 107 Cb -0.22 -1.22 0.03 0.00 -0.22 0.00 0.00 33.01 31.39 2qsi s GLN 107 CO 0.22 -0.04 1.10 0.16 -0.25 0.00 0.00 175.29 176.48 2qsi s ASP 108 N -3.52 5.15 0.18 5.90 1.47 -1.26 -4.88 116.67 119.70 2qsi s ASP 108 Ca 0.33 1.14 -0.13 0.00 1.18 0.00 0.00 52.55 55.07 2qsi s ASP 108 Cb 0.06 -1.90 0.08 0.00 -0.34 0.00 0.00 42.92 40.82 2qsi s ASP 108 CO 0.15 -1.53 1.82 -0.25 0.68 0.00 0.00 175.17 176.04 2qsi h TRP 109 N -0.79 0.73 0.00 2.11 2.91 -2.01 -1.15 115.95 117.75 2qsi h TRP 109 Ca -0.46 0.01 -0.07 0.00 1.13 0.00 0.00 58.89 59.50 2qsi h TRP 109 Cb 1.26 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.66 2qsi h TRP 109 CO 0.48 0.48 -0.34 0.66 -1.03 0.00 0.00 178.44 178.69 2qsi h SER 110 N 0.76 0.00 -0.16 2.65 4.64 -1.99 -1.57 113.55 117.88 2qsi h SER 110 Ca 0.20 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 2qsi h SER 110 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2qsi h SER 110 CO -0.04 0.34 -0.30 -1.28 -0.87 0.00 0.00 176.83 174.68 2qsi h SER 111 N 0.00 0.54 0.14 4.97 0.87 -1.71 -1.55 113.55 116.81 2qsi h SER 111 Ca -0.00 -0.55 -0.00 0.00 -1.23 0.00 0.00 61.79 60.01 2qsi h SER 111 Cb 0.70 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2qsi h SER 111 CO 0.04 0.99 -0.08 1.88 -0.53 0.00 0.00 176.83 179.13 2qsi h TYR 112 N 0.12 -0.22 -0.77 2.24 0.05 -1.09 -1.84 116.97 115.46 2qsi h TYR 112 Ca 0.01 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.87 2qsi h TYR 112 Cb 0.89 0.08 -0.07 0.00 1.01 0.00 0.00 36.73 38.64 2qsi h TYR 112 CO 0.10 -0.13 0.43 -0.07 -1.05 0.00 0.00 178.16 177.43 2qsi h LEU 113 N -0.22 0.61 -0.21 3.88 3.38 -1.30 -0.14 115.31 121.30 2qsi h LEU 113 Ca -0.01 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2qsi h LEU 113 Cb 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2qsi h LEU 113 CO 0.02 0.36 -0.07 0.00 0.09 0.00 0.00 178.44 178.83 2qsi h ALA 114 N 1.43 0.29 -0.38 1.53 0.00 -1.23 -1.10 119.26 119.80 2qsi h ALA 114 Ca 0.37 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2qsi h ALA 114 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2qsi h ALA 114 CO -0.24 0.10 -0.01 1.96 0.00 0.00 0.00 179.25 181.06 2qsi h GLN 115 N 0.13 0.67 -0.40 0.00 4.20 -1.17 0.04 115.11 118.59 2qsi h GLN 115 Ca 0.05 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 2qsi h GLN 115 Cb 0.55 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2qsi h GLN 115 CO 0.03 0.78 0.10 0.82 -0.67 0.00 0.00 178.83 179.89 2qsi h ILE 116 N 0.49 1.23 -0.76 2.54 2.04 -1.06 -2.96 117.51 119.02 2qsi h ILE 116 Ca 0.11 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.28 2qsi h ILE 116 Cb 0.48 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 2qsi h ILE 116 CO 0.02 0.27 0.43 1.23 0.00 0.00 0.00 178.15 180.10 2qsi h GLY 117 N 0.50 1.15 -1.19 5.37 0.00 -1.13 -0.71 103.07 107.06 2qsi h GLY 117 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2qsi h GLY 117 CO 0.00 0.15 0.00 0.00 0.00 0.00 0.00 176.54 176.69 2qsi n ALA 118 N -2.37 1.02 0.00 3.60 0.00 -0.00 -0.90 120.51 121.85 2qsi n ALA 118 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2qsi n ALA 118 Cb 0.23 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.56 0.00 -0.28 0.00 4.77 -0.27 -1.93 117.00 119.84 2qsi n LEU 120 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2qsi n LEU 120 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2qsi n LEU 120 CO 0.00 0.00 1.20 0.00 -1.33 0.00 0.00 177.39 177.26 2qsi h ALA 121 N 0.00 0.98 -0.27 -1.18 0.00 -1.28 -0.93 119.26 116.58 2qsi h ALA 121 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2qsi h ALA 121 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2qsi h ALA 121 CO 0.00 0.38 -0.31 1.49 0.00 0.00 0.00 179.25 180.81 2qsi h GLU 122 N 1.03 0.57 -0.44 0.00 4.57 -1.62 -0.28 114.58 118.41 2qsi h GLU 122 Ca 0.29 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2qsi h GLU 122 Cb -0.10 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 2qsi h GLU 122 CO -0.07 0.82 0.25 0.28 -1.18 0.00 0.00 179.01 179.10 2qsi h VAL 123 N 0.49 1.16 0.00 0.32 2.07 -1.76 -2.27 116.25 116.26 2qsi h VAL 123 Ca 0.06 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 2qsi h VAL 123 Cb 0.78 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2qsi h VAL 123 CO 0.06 0.16 -0.41 0.44 0.02 0.00 0.00 177.57 177.85 2qsi h ASP 124 N 0.58 0.00 -1.62 0.57 3.32 -0.83 -3.39 116.42 115.05 2qsi h ASP 124 Ca 0.16 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.86 2qsi h ASP 124 Cb 0.04 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.33 2qsi h ASP 124 CO -0.03 0.41 -0.71 -1.10 -1.72 0.00 0.00 179.24 176.10 2qsi s GLN 125 N -3.16 0.98 0.00 3.56 -0.21 -0.15 -5.09 119.66 115.60 2qsi s GLN 125 Ca 0.03 -1.50 0.00 0.00 0.02 0.00 0.00 55.36 53.91 2qsi s GLN 125 Cb 0.08 -0.66 0.00 0.00 1.00 0.00 0.00 33.01 33.43 2qsi s GLN 125 CO 0.72 -1.35 0.49 -0.35 -2.12 0.00 0.00 175.29 172.68