#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqn n THR 2 N 0.00 0.00 -4.23 2.03 5.66 -1.26 -5.05 114.28 111.43 2jqn n THR 2 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 2jqn n THR 2 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 2jqn n THR 2 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2jqn s LEU 3 N 0.00 2.54 0.06 1.09 1.43 -1.26 -0.85 118.68 121.69 2jqn s LEU 3 Ca 0.00 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 2jqn s LEU 3 Cb 0.00 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2jqn s LEU 3 CO 0.00 0.03 0.15 0.27 0.23 0.00 0.00 176.35 177.03 2jqn s ILE 4 N 1.13 5.00 -0.07 -0.59 -4.36 0.39 -3.52 121.20 119.18 2jqn s ILE 4 Ca 0.01 -0.52 -0.03 0.00 -0.26 0.00 0.00 60.65 59.84 2jqn s ILE 4 Cb -0.14 -3.41 0.04 0.00 1.25 0.00 0.00 42.46 40.20 2jqn s ILE 4 CO -0.04 0.16 0.13 -0.31 0.24 0.00 0.00 174.94 175.13 2jqn s TYR 5 N -1.42 -0.13 -0.19 1.37 1.51 0.01 -1.30 117.35 117.20 2jqn s TYR 5 Ca 0.31 0.51 -0.04 0.00 -1.01 0.00 0.00 57.07 56.85 2jqn s TYR 5 Cb -0.13 -0.28 -0.02 0.00 -0.11 0.00 0.00 41.96 41.43 2jqn s TYR 5 CO 0.24 -0.24 -0.04 0.21 -1.11 0.00 0.00 175.55 174.61 2jqn s LYS 6 N 2.08 3.52 -0.16 -0.62 2.20 -0.94 -4.39 119.74 121.43 2jqn s LYS 6 Ca 0.01 -0.58 -0.11 0.00 -0.36 0.00 0.00 55.97 54.94 2jqn s LYS 6 Cb -0.12 -2.95 -0.05 0.00 -1.51 0.00 0.00 37.83 33.20 2jqn s LYS 6 CO -0.05 0.03 0.20 0.42 -0.36 0.00 0.00 175.35 175.60 2jqn s ILE 7 N 0.90 5.37 0.24 5.43 1.01 -1.26 -1.50 121.20 131.38 2jqn s ILE 7 Ca -0.00 0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.94 2jqn s ILE 7 Cb -0.15 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 2jqn s ILE 7 CO 0.01 0.46 0.31 -1.48 0.00 0.00 0.00 174.94 174.25 2jqn s LEU 8 N 0.05 0.80 0.43 2.97 2.34 -0.96 -4.96 118.68 119.36 2jqn s LEU 8 Ca 0.13 -1.21 -0.22 0.00 0.06 0.00 0.00 54.13 52.89 2jqn s LEU 8 Cb -0.12 1.08 -0.10 0.00 -0.56 0.00 0.00 46.19 46.49 2jqn s LEU 8 CO 0.02 -1.02 0.99 -0.94 -1.06 0.00 0.00 176.35 174.34 2jqn s SER 9 N -3.11 6.77 0.37 1.48 1.04 -1.26 -0.13 113.70 118.86 2jqn s SER 9 Ca 0.31 1.82 0.08 0.00 0.48 0.00 0.00 55.95 58.64 2jqn s SER 9 Cb 0.03 -2.56 0.79 0.00 0.10 0.00 0.00 66.02 64.39 2jqn s SER 9 CO 0.12 -0.48 1.94 -0.09 0.98 0.00 0.00 173.24 175.72 2jqn h ARG 10 N 2.01 0.68 -0.26 4.02 9.65 -0.59 -0.29 114.38 129.60 2jqn h ARG 10 Ca -0.49 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.39 2jqn h ARG 10 Cb 1.20 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.59 2jqn h ARG 10 CO 0.61 0.45 0.02 0.00 2.80 0.00 0.00 179.97 183.85 2jqn h ALA 11 N 1.61 0.24 -0.34 2.80 0.00 -1.93 -0.38 119.26 121.27 2jqn h ALA 11 Ca 0.33 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.15 2jqn h ALA 11 Cb 0.39 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jqn h ALA 11 CO -0.12 -0.40 -0.38 0.93 0.00 0.00 0.00 179.25 179.29 2jqn h GLU 12 N 0.11 0.86 -0.79 0.00 4.39 -1.75 -2.99 114.58 114.40 2jqn h GLU 12 Ca 0.12 -0.47 -0.05 0.00 0.34 0.00 0.00 59.36 59.30 2jqn h GLU 12 Cb 0.14 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2jqn h GLU 12 CO -0.18 1.11 0.30 2.35 -1.16 0.00 0.00 179.01 181.43 2jqn h TRP 13 N 0.65 1.22 -0.51 4.33 -0.00 -0.86 0.73 115.95 121.52 2jqn h TRP 13 Ca 0.05 -0.10 -0.03 0.00 -0.00 0.00 0.00 58.89 58.82 2jqn h TRP 13 Cb 0.97 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 29.74 2jqn h TRP 13 CO 0.07 0.93 0.22 0.22 -0.00 0.00 0.00 178.44 179.88 2jqn h ASP 14 N 1.16 0.69 -0.29 2.65 1.82 -1.10 0.14 116.42 121.49 2jqn h ASP 14 Ca 0.26 -0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 56.72 2jqn h ASP 14 Cb 0.24 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 2jqn h ASP 14 CO -0.02 0.65 0.09 0.00 -1.61 0.00 0.00 179.24 178.35 2jqn h ALA 15 N 1.06 0.39 -0.92 -0.78 0.00 -1.33 0.17 119.26 117.85 2jqn h ALA 15 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jqn h ALA 15 Cb 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2jqn h ALA 15 CO -0.02 0.02 0.56 0.00 0.00 0.00 0.00 179.25 179.82 2jqn h ALA 16 N 0.92 1.25 -0.56 0.00 0.00 -0.72 -0.31 119.26 119.85 2jqn h ALA 16 Ca 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jqn h ALA 16 Cb 0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2jqn h ALA 16 CO -0.00 0.65 0.34 -0.22 0.00 0.00 0.00 179.25 180.02 2jqn h LYS 17 N 1.27 0.76 -0.71 0.00 3.64 -0.43 0.55 116.57 121.66 2jqn h LYS 17 Ca 0.33 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2jqn h LYS 17 Cb -0.06 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.56 2jqn h LYS 17 CO -0.06 0.54 0.31 0.00 -2.27 0.00 0.00 179.45 177.97 2jqn h ALA 18 N 1.17 1.21 0.00 5.00 0.00 -0.42 -2.36 119.26 123.86 2jqn h ALA 18 Ca 0.20 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2jqn h ALA 18 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2jqn h ALA 18 CO -0.04 0.59 -0.66 1.96 0.00 0.00 0.00 179.25 181.10 2jqn h GLN 19 N 1.02 0.00 0.00 0.00 4.20 -0.67 -3.47 115.11 116.18 2jqn h GLN 19 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2jqn h GLN 19 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2jqn h GLN 19 CO -0.03 0.66 0.00 0.41 -0.67 0.00 0.00 178.83 179.20 2jqn n GLY 20 N 0.54 0.71 3.08 3.46 0.00 0.18 -5.01 105.19 108.15 2jqn n GLY 20 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jqn n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jqn s ARG 21 N -0.07 0.23 -0.56 1.61 0.52 -0.64 -2.41 118.95 117.63 2jqn s ARG 21 Ca 0.00 0.42 -0.14 0.00 -0.52 0.00 0.00 55.73 55.49 2jqn s ARG 21 Cb 0.00 -0.00 0.14 0.00 0.52 0.00 0.00 34.95 35.61 2jqn s ARG 21 CO 0.00 -0.10 0.49 0.12 0.02 0.00 0.00 175.30 175.83 2jqn s PHE 22 N 0.70 3.37 0.60 -0.53 5.36 0.15 -4.51 117.98 123.12 2jqn s PHE 22 Ca -0.05 -1.57 -0.10 0.00 -0.96 0.00 0.00 56.93 54.25 2jqn s PHE 22 Cb -0.06 -3.71 0.14 0.00 -0.34 0.00 0.00 43.02 39.05 2jqn s PHE 22 CO -0.04 -1.00 0.81 0.39 -1.46 0.00 0.00 175.22 173.92 2jqn n GLU 23 N 4.95 -0.77 -1.95 10.12 -0.58 -1.26 -2.07 120.64 129.08 2jqn n GLU 23 Ca -0.08 -1.29 -0.43 0.00 -0.42 0.00 0.00 57.16 54.95 2jqn n GLU 23 Cb 0.41 -0.83 -0.03 0.00 -0.57 0.00 0.00 31.44 30.42 2jqn n GLU 23 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2jqn s GLY 24 N -4.77 1.27 0.48 0.62 0.00 -1.26 -4.90 107.32 98.77 2jqn s GLY 24 Ca 0.46 0.80 -0.08 0.00 0.00 0.00 0.00 44.72 45.90 2jqn s GLY 24 CO 0.32 3.19 0.51 -1.14 0.00 0.00 0.00 173.10 175.98 2jqn n SER 25 N 8.27 -0.82 -0.26 1.64 3.41 -1.26 -4.50 113.62 120.09 2jqn n SER 25 Ca 0.20 -0.96 0.11 0.00 -0.26 0.00 0.00 58.87 57.95 2jqn n SER 25 Cb 0.44 -0.43 0.36 0.00 -0.26 0.00 0.00 64.21 64.32 2jqn n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jqn h ALA 26 N -2.14 1.79 0.04 7.33 0.00 -1.98 0.95 119.26 125.24 2jqn h ALA 26 Ca -0.18 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2jqn h ALA 26 Cb 0.52 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2jqn h ALA 26 CO 0.12 -0.01 -0.35 0.28 0.00 0.00 0.00 179.25 179.29 2jqn h VAL 27 N 0.73 1.60 -0.62 0.00 2.07 -1.99 -1.85 116.25 116.18 2jqn h VAL 27 Ca 0.43 -2.21 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 2jqn h VAL 27 Cb 0.62 3.03 -0.03 0.00 -1.52 0.00 0.00 31.29 33.39 2jqn h VAL 27 CO -0.19 0.60 0.34 0.44 0.02 0.00 0.00 177.57 178.78 2jqn h ASP 28 N -0.57 0.78 0.72 0.57 3.32 -1.76 -2.29 116.42 117.19 2jqn h ASP 28 Ca -0.05 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 2jqn h ASP 28 Cb 1.19 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 2jqn h ASP 28 CO 0.07 0.66 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.63 2jqn h LEU 29 N 0.85 0.00 -0.33 1.55 3.38 -0.94 0.62 115.31 120.44 2jqn h LEU 29 Ca 0.22 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.25 2jqn h LEU 29 Cb 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2jqn h LEU 29 CO -0.03 0.54 0.02 0.00 0.09 0.00 0.00 178.44 179.06 2jqn h ALA 30 N 1.46 0.31 0.01 1.53 0.00 -0.76 -2.02 119.26 119.79 2jqn h ALA 30 Ca -0.01 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 2jqn h ALA 30 Cb 1.05 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2jqn h ALA 30 CO 0.07 -0.39 -0.91 -0.44 0.00 0.00 0.00 179.25 177.58 2jqn h ASP 31 N 0.12 0.10 0.00 0.00 5.19 -1.49 -3.48 116.42 116.86 2jqn h ASP 31 Ca 0.16 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2jqn h ASP 31 Cb 0.21 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2jqn h ASP 31 CO -0.25 0.96 0.00 0.61 -3.12 0.00 0.00 179.24 177.44 2jqn n GLY 32 N 1.03 1.07 3.04 2.75 0.00 0.09 -5.06 105.19 108.10 2jqn n GLY 32 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2jqn n GLY 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jqn s PHE 33 N -2.18 0.23 0.21 1.61 -0.12 -0.49 -4.84 117.98 112.40 2jqn s PHE 33 Ca 0.00 -0.49 -0.30 0.00 -0.05 0.00 0.00 56.93 56.10 2jqn s PHE 33 Cb 0.00 -0.17 -0.09 0.00 -0.63 0.00 0.00 43.02 42.13 2jqn s PHE 33 CO 0.00 -0.25 1.29 0.42 -0.05 0.00 0.00 175.22 176.63 2jqn s ILE 34 N -1.81 3.21 0.22 -4.49 1.01 0.18 -4.62 121.20 114.90 2jqn s ILE 34 Ca -0.12 1.02 -0.17 0.00 0.00 0.00 0.00 60.65 61.38 2jqn s ILE 34 Cb -0.07 -3.65 -0.08 0.00 0.01 0.00 0.00 42.46 38.67 2jqn s ILE 34 CO -0.02 0.17 0.67 -1.00 0.00 0.00 0.00 174.94 174.76 2jqn s HIS 35 N -0.09 3.57 0.01 3.97 3.76 -1.26 -0.51 115.29 124.74 2jqn s HIS 35 Ca 0.55 1.24 0.00 0.00 -0.15 0.00 0.00 55.06 56.70 2jqn s HIS 35 Cb -0.36 -2.52 0.00 0.00 1.11 0.00 0.00 32.58 30.81 2jqn s HIS 35 CO 0.40 0.31 0.00 1.28 -0.85 0.00 0.00 174.74 175.88 2jqn n LEU 36 N 0.49 0.00 -0.23 0.89 4.77 -1.21 -4.93 117.00 116.78 2jqn n LEU 36 Ca -0.02 0.01 0.03 0.00 -0.03 0.00 0.00 56.01 56.00 2jqn n LEU 36 Cb 0.52 0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2jqn n LEU 36 CO 0.43 -0.51 -0.09 -0.24 -1.33 0.00 0.00 177.39 175.65 2jqn n SER 37 N -2.52 -1.32 -4.87 -1.43 2.88 -1.26 -3.94 113.62 101.16 2jqn n SER 37 Ca 0.00 0.20 -0.26 0.00 -1.33 0.00 0.00 58.87 57.48 2jqn n SER 37 Cb 0.00 -0.77 -0.02 0.00 -0.75 0.00 0.00 64.21 62.67 2jqn n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jqn s ALA 38 N -2.68 4.26 0.30 -1.46 0.00 -1.26 -0.81 121.76 120.10 2jqn s ALA 38 Ca 0.00 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.66 2jqn s ALA 38 Cb 0.00 -0.64 0.79 0.00 0.00 0.00 0.00 23.12 23.27 2jqn s ALA 38 CO 0.00 -0.35 1.63 0.78 0.00 0.00 0.00 175.76 177.82 2jqn h GLY 39 N 0.92 1.46 0.12 0.00 0.00 -1.87 0.18 103.07 103.88 2jqn h GLY 39 Ca -0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2jqn h GLY 39 CO 0.60 -0.43 -0.20 -2.09 0.00 0.00 0.00 176.54 174.43 2jqn h GLU 40 N 0.17 -0.32 0.00 4.80 4.81 -1.96 -2.13 114.58 119.95 2jqn h GLU 40 Ca 0.59 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.84 2jqn h GLU 40 Cb 1.25 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2jqn h GLU 40 CO -0.70 -0.21 0.00 1.96 -0.73 0.00 0.00 179.01 179.32 2jqn h GLN 41 N -0.33 0.00 0.17 1.92 4.20 -1.86 -2.32 115.11 116.89 2jqn h GLN 41 Ca -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2jqn h GLN 41 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2jqn h GLN 41 CO -0.07 0.00 -0.08 0.00 -0.67 0.00 0.00 178.83 178.01 2jqn h ALA 42 N 2.35 -0.23 -0.33 3.87 0.00 -0.48 0.96 119.26 125.40 2jqn h ALA 42 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2jqn h ALA 42 Cb 0.63 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2jqn h ALA 42 CO 0.00 -0.56 -0.18 0.37 0.00 0.00 0.00 179.25 178.89 2jqn h GLN 43 N -0.38 0.61 0.49 0.00 4.15 -1.28 -0.79 115.11 117.91 2jqn h GLN 43 Ca -0.02 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.17 2jqn h GLN 43 Cb 0.29 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2jqn h GLN 43 CO 0.04 0.76 -0.47 0.93 -1.93 0.00 0.00 178.83 178.16 2jqn h GLU 44 N 0.55 -0.91 -1.00 1.69 4.39 -1.34 0.16 114.58 118.13 2jqn h GLU 44 Ca 0.09 0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.97 2jqn h GLU 44 Cb 0.62 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 29.39 2jqn h GLU 44 CO 0.04 -0.61 0.63 1.15 -1.16 0.00 0.00 179.01 179.06 2jqn h THR 45 N -0.94 0.92 -0.81 1.13 2.02 -0.75 0.12 112.91 114.60 2jqn h THR 45 Ca -0.06 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 2jqn h THR 45 Cb 0.81 -0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 2jqn h THR 45 CO -0.05 0.18 0.43 0.00 0.37 0.00 0.00 175.52 176.46 2jqn h ALA 46 N 1.53 1.04 -0.10 6.16 0.00 -0.90 0.15 119.26 127.14 2jqn h ALA 46 Ca 0.49 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 55.06 2jqn h ALA 46 Cb 0.47 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jqn h ALA 46 CO -0.26 0.55 -0.79 0.00 0.00 0.00 0.00 179.25 178.75 2jqn h ALA 47 N 1.23 0.42 0.04 0.00 0.00 0.81 -1.80 119.26 119.97 2jqn h ALA 47 Ca 0.28 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jqn h ALA 47 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jqn h ALA 47 CO -0.04 0.73 -0.02 0.87 0.00 0.00 0.00 179.25 180.78 2jqn h LYS 48 N 0.40 -0.06 0.18 0.00 1.57 -0.71 -3.35 116.57 114.59 2jqn h LYS 48 Ca -0.05 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.39 2jqn h LYS 48 Cb 1.40 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.73 2jqn h LYS 48 CO 0.15 -0.04 -1.69 -1.49 -0.57 0.00 0.00 179.45 175.81 2jqn h TRP 49 N -0.86 0.67 -0.77 -1.35 4.06 -0.88 -3.37 115.95 113.44 2jqn h TRP 49 Ca -0.01 -0.49 -0.49 0.00 2.06 0.00 0.00 58.89 59.96 2jqn h TRP 49 Cb 0.05 -0.03 -0.27 0.00 -1.00 0.00 0.00 29.16 27.90 2jqn h TRP 49 CO 0.00 1.66 0.23 1.19 -3.56 0.00 0.00 178.44 177.96 2jqn n PHE 50 N -3.65 2.53 -0.07 0.49 3.72 -0.94 -4.87 117.46 114.66 2jqn n PHE 50 Ca -0.25 -2.26 0.01 0.00 -0.05 0.00 0.00 57.45 54.90 2jqn n PHE 50 Cb 1.04 -0.87 0.02 0.00 -0.94 0.00 0.00 39.48 38.73 2jqn n PHE 50 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2jqn n ARG 51 N -0.98 -0.03 -2.69 -1.08 1.74 -0.72 -2.14 116.66 110.76 2jqn n ARG 51 Ca 0.51 0.31 -0.07 0.00 -0.77 0.00 0.00 57.85 57.82 2jqn n ARG 51 Cb 1.02 -0.46 0.10 0.00 -1.02 0.00 0.00 32.46 32.10 2jqn n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jqn n GLY 52 N -1.11 1.37 3.68 -0.13 0.00 -1.26 -2.41 105.19 105.33 2jqn n GLY 52 Ca 0.03 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 2jqn n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqn s GLN 53 N -0.54 4.37 -1.23 1.61 -1.52 -0.91 -4.97 119.66 116.48 2jqn s GLN 53 Ca 0.23 1.55 -0.07 0.00 -1.95 0.00 0.00 55.36 55.12 2jqn s GLN 53 Cb 0.41 -3.57 0.20 0.00 -0.22 0.00 0.00 33.01 29.84 2jqn s GLN 53 CO -0.06 -0.42 1.85 0.00 -0.25 0.00 0.00 175.29 176.41 2jqn n ALA 54 N 5.26 5.56 -1.33 6.09 0.00 -1.26 -3.96 120.51 130.87 2jqn n ALA 54 Ca 0.10 -4.41 -0.00 0.00 0.00 0.00 0.00 53.44 49.12 2jqn n ALA 54 Cb 0.47 -2.77 -0.00 0.00 0.00 0.00 0.00 19.45 17.15 2jqn n ALA 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jqn n ASN 55 N 2.79 -0.06 -4.78 0.00 0.23 -1.26 -5.05 115.26 107.13 2jqn n ASN 55 Ca 0.40 -0.29 -0.39 0.00 -0.53 0.00 0.00 54.58 53.77 2jqn n ASN 55 Cb 0.33 0.02 -0.06 0.00 -2.08 0.00 0.00 39.78 37.99 2jqn n ASN 55 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2jqn s LEU 56 N 0.00 4.54 -0.10 -4.53 1.43 -1.25 0.17 118.68 118.94 2jqn s LEU 56 Ca 0.00 1.61 0.03 0.00 -1.03 0.00 0.00 54.13 54.74 2jqn s LEU 56 Cb 0.00 -3.38 0.01 0.00 0.03 0.00 0.00 46.19 42.85 2jqn s LEU 56 CO 0.00 0.17 -0.19 -0.69 0.23 0.00 0.00 176.35 175.87 2jqn s VAL 57 N -1.24 1.69 -0.36 -1.59 1.01 0.82 -0.20 120.40 120.53 2jqn s VAL 57 Ca 0.38 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 2jqn s VAL 57 Cb -0.22 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 2jqn s VAL 57 CO 0.25 0.48 0.43 -0.22 0.00 0.00 0.00 175.10 176.04 2jqn s LEU 58 N 0.61 4.49 -0.52 3.92 2.96 0.33 -2.25 118.68 128.22 2jqn s LEU 58 Ca -0.14 -0.25 -0.21 0.00 -0.22 0.00 0.00 54.13 53.31 2jqn s LEU 58 Cb -0.17 -2.44 0.05 0.00 0.50 0.00 0.00 46.19 44.14 2jqn s LEU 58 CO 0.04 -0.44 0.73 -0.76 -1.32 0.00 0.00 176.35 174.60 2jqn s LEU 59 N 2.18 4.66 -0.39 -0.68 1.43 -0.56 -2.29 118.68 123.04 2jqn s LEU 59 Ca 0.14 -0.70 -0.19 0.00 -1.03 0.00 0.00 54.13 52.35 2jqn s LEU 59 Cb -0.16 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.48 2jqn s LEU 59 CO 0.13 -0.99 0.54 0.00 0.23 0.00 0.00 176.35 176.25 2jqn s ALA 60 N 3.06 3.43 -0.02 4.21 0.00 0.95 -2.22 121.76 131.17 2jqn s ALA 60 Ca 0.20 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2jqn s ALA 60 Cb -0.17 -3.10 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 2jqn s ALA 60 CO 0.15 -1.44 -0.12 0.08 0.00 0.00 0.00 175.76 174.43 2jqn s VAL 61 N 2.47 0.96 0.12 0.00 1.01 -0.42 -0.89 120.40 123.64 2jqn s VAL 61 Ca 0.19 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 2jqn s VAL 61 Cb -0.15 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 2jqn s VAL 61 CO 0.15 0.28 1.07 -1.83 0.00 0.00 0.00 175.10 174.77 2jqn s GLU 62 N -0.02 4.58 0.00 2.72 -1.05 -1.26 -0.46 118.70 123.21 2jqn s GLU 62 Ca -0.00 1.63 0.00 0.00 -0.15 0.00 0.00 54.97 56.45 2jqn s GLU 62 Cb -0.08 -3.34 0.00 0.00 -0.44 0.00 0.00 34.13 30.28 2jqn s GLU 62 CO 0.00 0.03 0.80 0.00 0.95 0.00 0.00 175.26 177.04 2jqn n ALA 63 N 2.94 -0.20 -1.45 -0.84 0.00 -0.03 -4.84 120.51 116.10 2jqn n ALA 63 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.66 2jqn n ALA 63 Cb 0.47 0.13 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 2jqn n ALA 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jqn n GLU 64 N -1.65 -3.28 0.41 0.00 -0.58 -1.26 -4.69 120.64 109.59 2jqn n GLU 64 Ca 0.00 2.66 -0.16 0.00 -0.42 0.00 0.00 57.16 59.23 2jqn n GLU 64 Cb 0.00 -3.86 -0.08 0.00 -0.57 0.00 0.00 31.44 26.93 2jqn n GLU 64 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2jqn h PRO 65 N -1.44 -1.02 -4.72 3.49 0.11 -1.98 -3.46 132.00 122.97 2jqn h PRO 65 Ca -0.18 0.07 -0.17 0.00 0.11 0.00 0.00 66.00 65.83 2jqn h PRO 65 Cb 1.37 0.23 -0.11 0.00 0.11 0.00 0.00 31.00 32.61 2jqn h PRO 65 CO 0.07 -0.68 -0.25 1.47 -0.21 0.00 0.00 178.00 178.40 2jqn n LEU 66 N -4.89 -0.22 0.00 2.35 -0.00 -1.26 -4.24 117.00 108.73 2jqn n LEU 66 Ca -0.13 -0.11 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 2jqn n LEU 66 Cb 0.42 -0.89 0.00 0.00 -0.00 0.00 0.00 43.42 42.95 2jqn n LEU 66 CO 0.32 0.03 0.00 0.61 -0.00 0.00 0.00 177.39 178.34 2jqn n GLY 67 N -0.57 1.91 0.00 1.47 0.00 -1.26 -4.85 105.19 101.89 2jqn n GLY 67 Ca 0.03 -1.20 0.01 0.00 0.00 0.00 0.00 46.02 44.87 2jqn n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqn n GLU 68 N 2.25 0.08 0.29 1.61 4.71 -1.26 -2.08 120.64 126.24 2jqn n GLU 68 Ca 0.00 0.05 0.14 0.00 -0.01 0.00 0.00 57.16 57.34 2jqn n GLU 68 Cb 0.00 -1.50 0.86 0.00 -1.01 0.00 0.00 31.44 29.79 2jqn n GLU 68 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2jqn h ASP 69 N 0.00 0.00 -3.24 1.62 3.32 -1.88 -3.37 116.42 112.86 2jqn h ASP 69 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2jqn h ASP 69 Cb 0.01 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.44 2jqn h ASP 69 CO 0.00 0.03 0.60 -0.22 -1.72 0.00 0.00 179.24 177.92 2jqn s LEU 70 N -7.67 4.05 -0.09 1.55 2.96 -0.88 -0.74 118.68 117.86 2jqn s LEU 70 Ca -0.05 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 2jqn s LEU 70 Cb 0.15 -2.88 0.01 0.00 0.50 0.00 0.00 46.19 43.97 2jqn s LEU 70 CO 0.56 -1.23 -0.15 -0.75 -1.32 0.00 0.00 176.35 173.46 2jqn s LYS 71 N 4.00 2.14 -0.59 1.98 2.20 -0.46 -4.96 119.74 124.06 2jqn s LYS 71 Ca 0.32 -0.55 -0.28 0.00 -0.36 0.00 0.00 55.97 55.09 2jqn s LYS 71 Cb -0.12 -1.74 0.03 0.00 -1.51 0.00 0.00 37.83 34.48 2jqn s LYS 71 CO 0.20 0.03 1.24 -1.58 -0.36 0.00 0.00 175.35 174.87 2jqn s TRP 72 N 0.72 2.53 -0.10 4.03 0.52 -1.26 0.36 118.94 125.73 2jqn s TRP 72 Ca -0.13 0.39 0.03 0.00 0.02 0.00 0.00 56.10 56.42 2jqn s TRP 72 Cb -0.16 -4.51 -0.01 0.00 -1.15 0.00 0.00 33.47 27.65 2jqn s TRP 72 CO 0.03 -1.69 -0.21 -1.21 0.02 0.00 0.00 176.95 173.89 2jqn s GLU 73 N 5.10 3.04 -0.34 4.98 2.02 -0.99 -4.91 118.70 127.59 2jqn s GLU 73 Ca 0.44 -0.83 -0.17 0.00 0.02 0.00 0.00 54.97 54.42 2jqn s GLU 73 Cb -0.08 -2.36 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 2jqn s GLU 73 CO 0.25 0.23 0.48 0.00 0.02 0.00 0.00 175.26 176.24 2jqn s ALA 74 N 0.24 3.49 0.97 5.21 0.00 -1.26 -0.40 121.76 130.00 2jqn s ALA 74 Ca -0.14 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 2jqn s ALA 74 Cb -0.17 -2.96 0.18 0.00 0.00 0.00 0.00 23.12 20.17 2jqn s ALA 74 CO 0.07 -1.13 1.19 0.45 0.00 0.00 0.00 175.76 176.34 2jqn s SER 75 N 1.73 3.02 -0.61 0.00 0.15 0.20 -4.88 113.70 113.32 2jqn s SER 75 Ca 0.17 0.69 -0.26 0.00 0.70 0.00 0.00 55.95 57.26 2jqn s SER 75 Cb -0.16 -1.05 -0.05 0.00 -1.71 0.00 0.00 66.02 63.04 2jqn s SER 75 CO 0.12 -2.83 2.15 -0.13 1.20 0.00 0.00 173.24 173.75 2jqn s ARG 76 N -5.50 2.30 0.00 5.44 1.81 -1.26 -2.15 118.95 119.59 2jqn s ARG 76 Ca 0.68 0.83 0.00 0.00 -1.72 0.00 0.00 55.73 55.52 2jqn s ARG 76 Cb -0.10 -4.57 0.00 0.00 -0.45 0.00 0.00 34.95 29.82 2jqn s ARG 76 CO 0.53 -3.19 0.00 0.41 -0.68 0.00 0.00 175.30 172.37 2jqn n GLY 77 N 6.05 1.96 0.00 -3.53 0.00 -1.26 -4.91 105.19 103.49 2jqn n GLY 77 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2jqn n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqn n GLY 78 N 0.00 1.11 3.68 -0.02 0.00 -0.91 -5.11 105.19 103.94 2jqn n GLY 78 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2jqn n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqn n ALA 79 N 0.00 1.62 -3.22 4.61 0.00 -1.26 -4.72 120.51 117.53 2jqn n ALA 79 Ca 0.00 0.31 -0.46 0.00 0.00 0.00 0.00 53.44 53.30 2jqn n ALA 79 Cb 0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 19.45 16.87 2jqn n ALA 79 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jqn s ARG 80 N 3.01 3.20 -0.34 0.00 0.52 -1.26 -0.63 118.95 123.46 2jqn s ARG 80 Ca 0.85 -1.78 -0.10 0.00 -0.52 0.00 0.00 55.73 54.19 2jqn s ARG 80 Cb -0.57 -4.37 0.01 0.00 0.52 0.00 0.00 34.95 30.55 2jqn s ARG 80 CO 0.42 -1.42 0.17 -0.06 0.02 0.00 0.00 175.30 174.43 2jqn s PHE 81 N 1.67 3.21 -0.32 -0.53 0.08 0.46 -4.82 117.98 117.73 2jqn s PHE 81 Ca 0.11 -0.82 -0.28 0.00 0.12 0.00 0.00 56.93 56.06 2jqn s PHE 81 Cb -0.22 -2.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.82 2jqn s PHE 81 CO 0.00 -0.57 2.03 -1.25 -0.10 0.00 0.00 175.22 175.34 2jqn s PRO 82 N 1.57 3.08 -0.16 0.24 0.04 -1.26 -2.35 135.00 136.15 2jqn s PRO 82 Ca 0.03 1.61 -0.20 0.00 0.04 0.00 0.00 61.00 62.49 2jqn s PRO 82 Cb -0.18 -4.32 -0.03 0.00 0.04 0.00 0.00 34.50 30.01 2jqn s PRO 82 CO 0.06 -2.16 0.56 -1.01 0.04 0.00 0.00 177.00 174.49 2jqn s HIS 83 N 8.15 3.43 -0.38 0.56 3.76 0.16 -3.35 115.29 127.61 2jqn s HIS 83 Ca 0.89 0.90 -0.17 0.00 -0.15 0.00 0.00 55.06 56.53 2jqn s HIS 83 Cb -0.25 -2.69 0.01 0.00 1.11 0.00 0.00 32.58 30.75 2jqn s HIS 83 CO 0.33 -0.03 0.42 -1.17 -0.85 0.00 0.00 174.74 173.44 2jqn s LEU 84 N 1.35 4.63 0.00 0.89 0.20 0.33 -1.35 118.68 124.73 2jqn s LEU 84 Ca 0.27 -0.42 0.20 0.00 0.69 0.00 0.00 54.13 54.88 2jqn s LEU 84 Cb -0.16 -2.40 1.20 0.00 -0.43 0.00 0.00 46.19 44.40 2jqn s LEU 84 CO 0.11 -0.48 1.73 -1.22 -0.29 0.00 0.00 176.35 176.20 2jqn n TYR 85 N 5.54 0.00 -5.25 5.38 4.01 0.09 -0.64 117.16 126.28 2jqn n TYR 85 Ca -0.08 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.35 2jqn n TYR 85 Cb 0.48 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.36 2jqn n TYR 85 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2jqn s ARG 86 N -2.00 2.15 0.30 -0.72 6.06 -1.26 -4.96 118.95 118.52 2jqn s ARG 86 Ca 0.30 -0.91 -0.29 0.00 -2.50 0.00 0.00 55.73 52.34 2jqn s ARG 86 Cb 0.14 -2.08 -0.13 0.00 0.06 0.00 0.00 34.95 32.94 2jqn s ARG 86 CO 0.23 0.57 1.20 -2.30 -2.50 0.00 0.00 175.30 172.50 2jqn n PRO 87 N 2.41 1.79 -2.95 5.12 -0.02 -1.26 -4.81 135.00 135.28 2jqn n PRO 87 Ca -0.16 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 2jqn n PRO 87 Cb 0.51 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 2jqn n PRO 87 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2jqn s LEU 88 N -0.27 4.34 0.03 2.45 0.20 -0.88 -4.98 118.68 119.58 2jqn s LEU 88 Ca 0.59 -0.40 -0.30 0.00 0.69 0.00 0.00 54.13 54.71 2jqn s LEU 88 Cb -0.64 -2.78 -0.04 0.00 -0.43 0.00 0.00 46.19 42.30 2jqn s LEU 88 CO 0.59 -1.05 1.00 -0.76 -0.29 0.00 0.00 176.35 175.85 2jqn s LEU 89 N 3.44 4.39 0.58 -0.68 1.43 -1.26 0.32 118.68 126.89 2jqn s LEU 89 Ca 0.27 1.72 0.33 0.00 -1.03 0.00 0.00 54.13 55.42 2jqn s LEU 89 Cb -0.14 -3.57 1.77 0.00 0.03 0.00 0.00 46.19 44.28 2jqn s LEU 89 CO 0.19 -0.25 2.17 -0.37 0.23 0.00 0.00 176.35 178.32 2jqn h VAL 90 N 4.64 0.32 0.00 -1.59 -1.51 -1.83 0.40 116.25 116.69 2jqn h VAL 90 Ca -0.41 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 2jqn h VAL 90 Cb 1.22 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 2jqn h VAL 90 CO 0.75 0.05 0.00 0.28 -1.23 0.00 0.00 177.57 177.42 2jqn h SER 91 N 0.00 0.00 1.69 4.19 0.02 -1.92 -2.18 113.55 115.35 2jqn h SER 91 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jqn h SER 91 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2jqn h SER 91 CO 0.01 0.00 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.23 2jqn h GLU 92 N 0.00 0.00 -6.24 3.45 4.39 -1.30 -3.45 114.58 111.42 2jqn h GLU 92 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 2jqn h GLU 92 Cb 0.28 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2jqn h GLU 92 CO 0.00 0.00 1.04 0.08 -1.16 0.00 0.00 179.01 178.97 2jqn s VAL 93 N -3.19 3.86 0.13 3.13 1.01 -0.82 -4.85 120.40 119.66 2jqn s VAL 93 Ca 0.07 1.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.88 2jqn s VAL 93 Cb 0.08 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2jqn s VAL 93 CO 0.67 -0.19 1.76 0.74 0.00 0.00 0.00 175.10 178.07 2jqn h THR 94 N 5.77 1.10 -2.08 3.92 2.02 -1.76 -3.46 112.91 118.42 2jqn h THR 94 Ca -0.33 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 2jqn h THR 94 Cb 1.14 0.73 -0.19 0.00 -1.74 0.00 0.00 68.15 68.09 2jqn h THR 94 CO 0.98 0.10 0.15 -0.60 0.37 0.00 0.00 175.52 176.52 2jqn s ARG 95 N -6.01 1.00 0.08 6.66 3.52 -0.07 -5.03 118.95 119.09 2jqn s ARG 95 Ca -0.13 0.33 0.03 0.00 -0.13 0.00 0.00 55.73 55.83 2jqn s ARG 95 Cb 0.09 0.47 -0.03 0.00 -1.56 0.00 0.00 34.95 33.92 2jqn s ARG 95 CO 0.71 -0.29 -0.09 -1.83 -0.81 0.00 0.00 175.30 172.99 2jqn s GLU 96 N -0.97 0.78 -0.13 5.12 4.04 -1.26 -0.04 118.70 126.24 2jqn s GLU 96 Ca -0.10 -1.10 -0.30 0.00 0.04 0.00 0.00 54.97 53.51 2jqn s GLU 96 Cb -0.01 -0.44 0.11 0.00 0.02 0.00 0.00 34.13 33.82 2jqn s GLU 96 CO 0.08 0.06 0.93 0.00 -1.84 0.00 0.00 175.26 174.49 2jqn s ALA 97 N -2.38 -1.90 0.03 -0.84 0.00 -0.97 -5.00 121.76 110.69 2jqn s ALA 97 Ca 0.03 1.53 -0.30 0.00 0.00 0.00 0.00 51.96 53.21 2jqn s ALA 97 Cb -0.03 -0.55 -0.07 0.00 0.00 0.00 0.00 23.12 22.47 2jqn s ALA 97 CO -0.01 -0.32 1.61 0.16 0.00 0.00 0.00 175.76 177.20 2jqn s ASP 98 N -1.13 6.66 -0.01 0.00 -4.77 -1.26 -0.51 116.67 115.64 2jqn s ASP 98 Ca -0.04 2.36 -0.30 0.00 -3.30 0.00 0.00 52.55 51.27 2jqn s ASP 98 Cb -0.00 -2.55 -0.03 0.00 -1.09 0.00 0.00 42.92 39.24 2jqn s ASP 98 CO 0.03 -0.87 1.05 -0.22 0.70 0.00 0.00 175.17 175.87 2jqn s LEU 99 N 2.98 4.33 0.32 2.11 2.96 0.72 -4.85 118.68 127.25 2jqn s LEU 99 Ca 0.72 1.72 -0.04 0.00 -0.22 0.00 0.00 54.13 56.32 2jqn s LEU 99 Cb -0.37 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.71 2jqn s LEU 99 CO 0.31 -0.38 0.57 -0.62 -1.32 0.00 0.00 176.35 174.92 2jqn s ASP 100 N 1.09 6.39 0.50 3.68 2.15 -1.26 -4.53 116.67 124.70 2jqn s ASP 100 Ca 0.53 0.68 0.09 0.00 0.43 0.00 0.00 52.55 54.27 2jqn s ASP 100 Cb -0.23 -2.13 0.05 0.00 -0.30 0.00 0.00 42.92 40.32 2jqn s ASP 100 CO 0.26 -0.25 0.68 -0.76 -0.17 0.00 0.00 175.17 174.92 2jqn s LEU 101 N -3.83 3.34 0.48 -1.34 1.43 -1.26 -4.04 118.68 113.46 2jqn s LEU 101 Ca 0.43 -0.67 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 2jqn s LEU 101 Cb -0.10 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.07 2jqn s LEU 101 CO 0.33 -1.07 0.62 -0.62 0.23 0.00 0.00 176.35 175.84 2jqn s ASP 102 N -4.51 5.38 0.46 2.29 2.15 -1.01 -4.83 116.67 116.60 2jqn s ASP 102 Ca 0.58 -0.63 0.22 0.00 0.43 0.00 0.00 52.55 53.15 2jqn s ASP 102 Cb -0.07 -0.28 1.22 0.00 -0.30 0.00 0.00 42.92 43.48 2jqn s ASP 102 CO 0.36 -0.96 1.88 0.00 -0.17 0.00 0.00 175.17 176.27 2jqn h ALA 103 N 0.52 2.40 0.00 3.66 0.00 -2.01 0.23 119.26 124.06 2jqn h ALA 103 Ca -0.36 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.32 2jqn h ALA 103 Cb 1.28 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2jqn h ALA 103 CO 0.45 -0.66 -1.32 0.22 0.00 0.00 0.00 179.25 177.94 2jqn h ASP 104 N 0.26 0.00 0.00 0.00 1.82 -1.99 -3.48 116.42 113.03 2jqn h ASP 104 Ca 0.43 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.07 2jqn h ASP 104 Cb 1.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.30 2jqn h ASP 104 CO -0.11 0.90 0.00 0.61 -1.61 0.00 0.00 179.24 179.02 2jqn n GLY 105 N 1.43 1.47 3.66 -0.78 0.00 0.80 -4.94 105.19 106.83 2jqn n GLY 105 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2jqn n GLY 105 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jqn n VAL 106 N 0.00 0.72 -1.60 1.61 0.31 -1.01 -3.64 118.33 114.72 2jqn n VAL 106 Ca 0.00 -0.16 -0.44 0.00 -0.01 0.00 0.00 64.34 63.73 2jqn n VAL 106 Cb 0.00 -2.28 -0.03 0.00 -0.91 0.00 0.00 33.84 30.62 2jqn n VAL 106 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2jqn n PRO 107 N 7.53 2.00 -2.91 5.55 -0.02 -1.26 -2.40 135.00 143.49 2jqn n PRO 107 Ca 0.21 0.58 -0.44 0.00 -2.02 0.00 0.00 63.50 61.83 2jqn n PRO 107 Cb 0.40 -3.15 -0.01 0.00 -0.02 0.00 0.00 33.50 30.71 2jqn n PRO 107 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2jqn s GLN 108 N 6.12 3.85 0.04 -0.52 -1.52 -1.26 -4.78 119.66 121.60 2jqn s GLN 108 Ca 1.00 -2.14 -0.05 0.00 -1.95 0.00 0.00 55.36 52.23 2jqn s GLN 108 Cb -0.39 -5.03 -0.29 0.00 -0.22 0.00 0.00 33.01 27.08 2jqn s GLN 108 CO 0.37 -1.81 1.00 -0.07 -0.25 0.00 0.00 175.29 174.54 2jqn h LEU 109 N 10.27 0.44 -1.53 2.90 4.07 -1.92 -2.96 115.31 126.57 2jqn h LEU 109 Ca 0.25 -0.52 0.24 0.00 0.08 0.00 0.00 57.88 57.92 2jqn h LEU 109 Cb 0.94 -0.14 -0.07 0.00 1.08 0.00 0.00 40.66 42.47 2jqn h LEU 109 CO 1.20 1.42 0.64 1.23 -1.08 0.00 0.00 178.44 181.85 2jqn h GLY 110 N 1.54 0.86 1.27 0.83 0.00 -1.91 0.39 103.07 106.04 2jqn h GLY 110 Ca -0.19 -0.17 -0.29 0.00 0.00 0.00 0.00 47.33 46.68 2jqn h GLY 110 CO 0.19 -0.04 -1.51 -0.55 0.00 0.00 0.00 176.54 174.63 2jqn h ASP 111 N 0.35 0.21 0.56 0.19 5.19 -1.98 -3.36 116.42 117.58 2jqn h ASP 111 Ca 0.51 -0.32 -0.06 0.00 -0.62 0.00 0.00 57.03 56.54 2jqn h ASP 111 Cb 1.38 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 2jqn h ASP 111 CO -0.19 1.27 -0.31 -0.74 -3.12 0.00 0.00 179.24 176.15 2jqn h HIS 112 N 0.04 0.00 -1.66 4.55 2.76 -0.56 -3.46 115.15 116.82 2jqn h HIS 112 Ca -0.22 0.00 -0.48 0.00 -2.20 0.00 0.00 60.37 57.47 2jqn h HIS 112 Cb 1.97 0.00 0.07 0.00 1.55 0.00 0.00 27.41 31.00 2jqn h HIS 112 CO 0.03 0.31 0.08 -0.51 -1.30 0.00 0.00 177.93 176.54 2jqn s LEU 113 N -7.51 2.95 -1.35 0.26 1.43 0.11 -4.98 118.68 109.59 2jqn s LEU 113 Ca -0.02 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.34 2jqn s LEU 113 Cb 0.13 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.68 2jqn s LEU 113 CO 0.67 -1.86 2.14 0.00 0.23 0.00 0.00 176.35 177.53 2jqn n ALA 114 N -2.76 4.99 -2.50 4.21 0.00 -1.26 -4.87 120.51 118.32 2jqn n ALA 114 Ca 0.17 -3.79 -0.43 0.00 0.00 0.00 0.00 53.44 49.39 2jqn n ALA 114 Cb 0.61 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.50 2jqn n ALA 114 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jqn n LEU 115 N 6.64 5.18 -0.74 0.00 7.94 -1.26 -5.17 117.00 129.59 2jqn n LEU 115 Ca 0.51 -3.97 0.09 0.00 -1.11 0.00 0.00 56.01 51.53 2jqn n LEU 115 Cb 0.40 -1.73 0.08 0.00 0.53 0.00 0.00 43.42 42.69 2jqn n LEU 115 CO 0.90 0.29 0.54 -0.62 -1.11 0.00 0.00 177.39 177.40