#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 0.90 -2.66 2.03 -2.24 -1.26 -4.84 114.28 106.21 2jqn n THR 2 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2jqn n THR 2 Cb 0.00 -0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 67.25 2jqn n THR 2 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2jqn s LEU 3 N 0.00 3.65 0.07 3.22 1.43 -1.26 -0.51 118.68 125.28 2jqn s LEU 3 Ca 0.00 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 2jqn s LEU 3 Cb 0.00 -3.05 -0.06 0.00 0.03 0.00 0.00 46.19 43.10 2jqn s LEU 3 CO 0.00 -1.41 0.46 -0.63 0.23 0.00 0.00 176.35 175.00 2jqn s ILE 4 N 4.65 4.97 -0.11 -0.59 1.01 -0.04 -4.67 121.20 126.43 2jqn s ILE 4 Ca 0.39 0.75 -0.01 0.00 0.00 0.00 0.00 60.65 61.79 2jqn s ILE 4 Cb -0.09 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.69 2jqn s ILE 4 CO 0.23 0.40 -0.06 -0.31 0.00 0.00 0.00 174.94 175.20 2jqn s TYR 5 N -1.29 1.34 -0.11 3.97 2.02 -0.80 -1.26 117.35 121.22 2jqn s TYR 5 Ca 0.31 -0.66 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 2jqn s TYR 5 Cb -0.16 -1.16 0.02 0.00 -0.40 0.00 0.00 41.96 40.27 2jqn s TYR 5 CO 0.17 -0.49 -0.12 0.21 -1.57 0.00 0.00 175.55 173.75 2jqn s LYS 6 N 1.76 1.89 0.00 -0.62 2.20 -0.85 -4.36 119.74 119.77 2jqn s LYS 6 Ca 0.05 -0.42 -0.17 0.00 -0.36 0.00 0.00 55.97 55.06 2jqn s LYS 6 Cb -0.13 -1.74 -0.06 0.00 -1.51 0.00 0.00 37.83 34.39 2jqn s LYS 6 CO -0.08 -0.16 0.47 0.42 -0.36 0.00 0.00 175.35 175.65 2jqn s ILE 7 N 1.30 4.96 0.30 5.43 1.09 -1.26 -0.32 121.20 132.71 2jqn s ILE 7 Ca -0.01 0.99 -0.07 0.00 -1.10 0.00 0.00 60.65 60.45 2jqn s ILE 7 Cb -0.14 -3.79 0.00 0.00 -1.06 0.00 0.00 42.46 37.47 2jqn s ILE 7 CO -0.05 0.52 0.47 -1.48 -0.10 0.00 0.00 174.94 174.30 2jqn s LEU 8 N -0.77 0.69 0.42 2.97 2.34 -0.25 -5.00 118.68 119.07 2jqn s LEU 8 Ca 0.26 -1.24 -0.17 0.00 0.06 0.00 0.00 54.13 53.04 2jqn s LEU 8 Cb -0.17 1.59 -0.09 0.00 -0.56 0.00 0.00 46.19 46.96 2jqn s LEU 8 CO 0.15 -1.23 0.88 -0.94 -1.06 0.00 0.00 176.35 174.14 2jqn s SER 9 N -3.14 6.74 0.52 1.48 1.04 -1.26 -0.54 113.70 118.55 2jqn s SER 9 Ca 0.27 1.46 0.21 0.00 0.48 0.00 0.00 55.95 58.37 2jqn s SER 9 Cb -0.00 -2.45 1.33 0.00 0.10 0.00 0.00 66.02 64.99 2jqn s SER 9 CO 0.15 -0.39 2.07 -0.09 0.98 0.00 0.00 173.24 175.96 2jqn h ARG 10 N 1.62 0.01 0.38 4.02 1.12 -0.98 -0.83 114.38 119.72 2jqn h ARG 10 Ca -0.48 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.37 2jqn h ARG 10 Cb 1.18 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.14 2jqn h ARG 10 CO 0.63 0.00 -0.18 0.00 -3.11 0.00 0.00 179.97 177.31 2jqn h ALA 11 N 1.86 -0.51 -0.68 2.80 0.00 -1.93 0.04 119.26 120.84 2jqn h ALA 11 Ca 0.13 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2jqn h ALA 11 Cb 0.52 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2jqn h ALA 11 CO -0.00 -0.71 0.42 0.93 0.00 0.00 0.00 179.25 179.89 2jqn h GLU 12 N -0.66 0.78 0.15 0.00 4.39 -1.74 -0.57 114.58 116.93 2jqn h GLU 12 Ca -0.05 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2jqn h GLU 12 Cb 0.47 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2jqn h GLU 12 CO 0.09 0.52 -0.07 2.35 -1.16 0.00 0.00 179.01 180.73 2jqn h TRP 13 N 0.81 -0.19 -0.28 4.33 -0.00 -1.15 -0.77 115.95 118.70 2jqn h TRP 13 Ca 0.28 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 59.17 2jqn h TRP 13 Cb 0.05 0.06 -0.02 0.00 -0.00 0.00 0.00 29.16 29.26 2jqn h TRP 13 CO -0.05 -0.01 0.17 0.22 -0.00 0.00 0.00 178.44 178.77 2jqn h ASP 14 N -0.34 0.27 -0.49 2.65 3.58 -0.82 -1.23 116.42 120.04 2jqn h ASP 14 Ca -0.02 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.49 2jqn h ASP 14 Cb 0.27 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.21 2jqn h ASP 14 CO 0.03 0.20 0.17 0.00 -2.88 0.00 0.00 179.24 176.77 2jqn h ALA 15 N 1.12 0.59 -0.33 -0.78 0.00 -1.06 -1.49 119.26 117.32 2jqn h ALA 15 Ca 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jqn h ALA 15 Cb -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jqn h ALA 15 CO -0.05 -0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.09 2jqn h ALA 16 N 1.32 1.57 0.00 0.00 0.00 -0.70 -1.06 119.26 120.39 2jqn h ALA 16 Ca 0.23 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2jqn h ALA 16 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jqn h ALA 16 CO -0.24 0.33 -0.23 0.87 0.00 0.00 0.00 179.25 179.99 2jqn h LYS 17 N 0.46 0.00 -0.43 0.00 1.57 -0.22 0.34 116.57 118.30 2jqn h LYS 17 Ca 0.11 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2jqn h LYS 17 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2jqn h LYS 17 CO -0.01 0.23 -0.03 0.00 -0.57 0.00 0.00 179.45 179.07 2jqn h ALA 18 N 1.77 1.15 0.00 3.86 0.00 -0.56 -2.50 119.26 122.99 2jqn h ALA 18 Ca -0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 2jqn h ALA 18 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jqn h ALA 18 CO 0.03 0.54 -0.67 1.96 0.00 0.00 0.00 179.25 181.11 2jqn h GLN 19 N 0.66 0.00 0.00 0.00 7.50 -1.20 -3.48 115.11 118.60 2jqn h GLN 19 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.28 2jqn h GLN 19 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.98 2jqn h GLN 19 CO 0.02 0.64 0.00 0.41 -1.50 0.00 0.00 178.83 178.41 2jqn n GLY 20 N 1.27 2.72 2.78 3.46 0.00 0.11 -4.98 105.19 110.55 2jqn n GLY 20 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.10 0.58 -1.10 1.61 0.52 -1.15 -0.90 118.95 118.41 2jqn s ARG 21 Ca 0.00 0.09 -0.22 0.00 -0.52 0.00 0.00 55.73 55.09 2jqn s ARG 21 Cb 0.00 -0.91 0.04 0.00 0.52 0.00 0.00 34.95 34.60 2jqn s ARG 21 CO 0.00 -0.27 1.60 0.12 0.02 0.00 0.00 175.30 176.77 2jqn s PHE 22 N 1.80 2.51 -1.26 -0.53 5.36 0.17 -4.89 117.98 121.15 2jqn s PHE 22 Ca 0.02 -0.87 -0.16 0.00 -0.96 0.00 0.00 56.93 54.96 2jqn s PHE 22 Cb -0.13 -4.63 0.11 0.00 -0.34 0.00 0.00 43.02 38.04 2jqn s PHE 22 CO -0.04 -1.85 1.60 -1.21 -1.46 0.00 0.00 175.22 172.26 2jqn s GLU 23 N 5.02 4.03 5.43 10.12 2.02 -1.26 -2.11 118.70 141.94 2jqn s GLU 23 Ca 0.52 -2.23 0.00 0.00 0.02 0.00 0.00 54.97 53.27 2jqn s GLU 23 Cb 0.01 -5.33 0.00 0.00 0.10 0.00 0.00 34.13 28.90 2jqn s GLU 23 CO -0.03 -2.05 0.00 0.41 0.02 0.00 0.00 175.26 173.61 2jqn n GLY 24 N 4.88 2.98 0.00 -1.39 0.00 -1.26 -4.98 105.19 105.42 2jqn n GLY 24 Ca 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2jqn n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jqn n SER 25 N 2.11 0.00 -0.04 1.61 2.88 -1.26 -4.93 113.62 113.98 2jqn n SER 25 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 2jqn n SER 25 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2jqn n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jqn h ALA 26 N 0.00 0.20 0.00 -1.46 0.00 -2.00 -1.05 119.26 114.95 2jqn h ALA 26 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2jqn h ALA 26 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jqn h ALA 26 CO 0.00 -0.40 -0.12 -0.24 0.00 0.00 0.00 179.25 178.49 2jqn h VAL 27 N 0.11 0.54 0.30 0.00 3.04 -1.99 -2.12 116.25 116.13 2jqn h VAL 27 Ca 0.09 -0.56 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 2jqn h VAL 27 Cb 0.10 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 2jqn h VAL 27 CO -0.14 0.12 -0.14 -0.78 -1.01 0.00 0.00 177.57 175.62 2jqn h ASP 28 N 0.00 -0.34 -0.13 3.17 3.58 -1.50 -2.34 116.42 118.86 2jqn h ASP 28 Ca -0.00 -0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.35 2jqn h ASP 28 Cb 0.36 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2jqn h ASP 28 CO 0.02 -0.07 0.09 -0.07 -2.88 0.00 0.00 179.24 176.32 2jqn h LEU 29 N -0.60 0.07 -1.32 2.28 -0.00 -1.15 0.58 115.31 115.17 2jqn h LEU 29 Ca -0.04 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 2jqn h LEU 29 Cb 0.44 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.06 2jqn h LEU 29 CO 0.07 0.05 0.18 0.00 -0.00 0.00 0.00 178.44 178.73 2jqn h ALA 30 N 1.93 1.46 0.00 1.53 0.00 -1.11 -2.57 119.26 120.50 2jqn h ALA 30 Ca 0.06 -0.13 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 2jqn h ALA 30 Cb 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2jqn h ALA 30 CO -0.01 0.41 -1.52 -0.44 0.00 0.00 0.00 179.25 177.69 2jqn h ASP 31 N 0.64 0.00 0.00 0.00 5.19 -0.71 -3.48 116.42 118.06 2jqn h ASP 31 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2jqn h ASP 31 Cb 0.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.65 2jqn h ASP 31 CO -0.01 0.97 0.00 0.61 -3.12 0.00 0.00 179.24 177.68 2jqn n GLY 32 N 1.50 1.12 3.30 2.75 0.00 0.19 -5.03 105.19 109.02 2jqn n GLY 32 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.59 -0.38 0.21 1.61 -0.12 -0.97 -4.90 117.98 110.84 2jqn s PHE 33 Ca 0.00 0.84 -0.32 0.00 -0.05 0.00 0.00 56.93 57.41 2jqn s PHE 33 Cb 0.00 0.15 -0.12 0.00 -0.63 0.00 0.00 43.02 42.43 2jqn s PHE 33 CO 0.00 -0.30 1.70 0.42 -0.05 0.00 0.00 175.22 176.99 2jqn s ILE 34 N -0.36 2.08 0.30 -4.49 1.01 -0.27 -4.70 121.20 114.76 2jqn s ILE 34 Ca -0.05 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 2jqn s ILE 34 Cb -0.03 -3.04 -0.10 0.00 0.01 0.00 0.00 42.46 39.30 2jqn s ILE 34 CO 0.02 0.00 1.15 -1.00 0.00 0.00 0.00 174.94 175.12 2jqn s HIS 35 N 1.08 3.44 0.20 3.97 3.76 -1.26 -2.62 115.29 123.86 2jqn s HIS 35 Ca 0.73 1.63 0.00 0.00 -0.15 0.00 0.00 55.06 57.27 2jqn s HIS 35 Cb -0.49 -3.38 0.00 0.00 1.11 0.00 0.00 32.58 29.82 2jqn s HIS 35 CO 0.33 -0.88 0.00 1.28 -0.85 0.00 0.00 174.74 174.62 2jqn n LEU 36 N 1.06 -0.77 -0.10 0.89 4.32 -1.25 -4.95 117.00 116.21 2jqn n LEU 36 Ca -0.01 0.35 0.01 0.00 -0.02 0.00 0.00 56.01 56.34 2jqn n LEU 36 Cb 0.44 0.87 -0.01 0.00 -1.62 0.00 0.00 43.42 43.11 2jqn n LEU 36 CO 0.55 -0.49 -0.04 -1.20 -1.22 0.00 0.00 177.39 174.99 2jqn n SER 37 N -3.05 -0.52 -4.93 -1.43 7.64 -1.26 -4.15 113.62 105.92 2jqn n SER 37 Ca 0.00 0.10 -0.20 0.00 1.01 0.00 0.00 58.87 59.77 2jqn n SER 37 Cb 0.00 -0.33 0.07 0.00 -1.01 0.00 0.00 64.21 62.94 2jqn n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jqn s ALA 38 N -3.06 4.42 0.28 -0.43 0.00 -1.26 -1.90 121.76 119.81 2jqn s ALA 38 Ca 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 51.96 49.93 2jqn s ALA 38 Cb 0.00 -1.63 0.57 0.00 0.00 0.00 0.00 23.12 22.07 2jqn s ALA 38 CO 0.00 -0.98 1.58 0.78 0.00 0.00 0.00 175.76 177.15 2jqn h GLY 39 N 0.02 0.97 0.05 0.00 0.00 -1.86 0.41 103.07 102.66 2jqn h GLY 39 Ca -0.32 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2jqn h GLY 39 CO 0.41 -0.41 -0.05 -2.09 0.00 0.00 0.00 176.54 174.40 2jqn h GLU 40 N 0.03 -0.09 0.00 4.80 4.57 -1.98 -2.27 114.58 119.63 2jqn h GLU 40 Ca 0.51 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.70 2jqn h GLU 40 Cb 0.94 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.55 2jqn h GLU 40 CO -0.89 -0.06 -0.00 1.96 -1.18 0.00 0.00 179.01 178.83 2jqn h GLN 41 N -0.10 0.00 0.40 1.92 7.50 -1.80 -2.78 115.11 120.26 2jqn h GLN 41 Ca -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 2jqn h GLN 41 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.62 2jqn h GLN 41 CO -0.01 0.00 -0.19 0.00 -1.50 0.00 0.00 178.83 177.13 2jqn h ALA 42 N 2.00 -0.54 -0.88 3.87 0.00 -0.10 -0.66 119.26 122.94 2jqn h ALA 42 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2jqn h ALA 42 Cb 0.45 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2jqn h ALA 42 CO 0.00 -0.60 0.47 0.37 0.00 0.00 0.00 179.25 179.49 2jqn h GLN 43 N -0.94 1.24 0.57 0.00 4.15 -1.35 0.16 115.11 118.94 2jqn h GLN 43 Ca -0.05 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 2jqn h GLN 43 Cb 0.55 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 2jqn h GLN 43 CO 0.09 0.91 -0.32 1.49 -1.93 0.00 0.00 178.83 179.07 2jqn h GLU 44 N 1.24 -0.80 -0.64 1.69 4.57 -1.55 -0.58 114.58 118.51 2jqn h GLU 44 Ca 0.31 0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.65 2jqn h GLU 44 Cb 0.05 0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 2jqn h GLU 44 CO -0.05 -0.53 0.43 1.15 -1.18 0.00 0.00 179.01 178.83 2jqn h THR 45 N -0.83 0.88 -0.05 0.32 2.02 -0.91 -1.52 112.91 112.82 2jqn h THR 45 Ca -0.07 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 2jqn h THR 45 Cb 0.66 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2jqn h THR 45 CO 0.09 0.08 0.02 0.00 0.37 0.00 0.00 175.52 176.08 2jqn h ALA 46 N 1.68 0.06 -0.25 6.16 0.00 -0.27 0.13 119.26 126.77 2jqn h ALA 46 Ca 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jqn h ALA 46 Cb 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jqn h ALA 46 CO -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 179.25 178.80 2jqn h ALA 47 N 0.84 1.52 0.05 0.00 0.00 -0.38 0.31 119.26 121.60 2jqn h ALA 47 Ca 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jqn h ALA 47 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jqn h ALA 47 CO -0.00 0.35 -0.02 0.87 0.00 0.00 0.00 179.25 180.44 2jqn h LYS 48 N 0.36 -0.06 0.11 0.00 1.57 -1.17 -3.32 116.57 114.06 2jqn h LYS 48 Ca 0.08 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.54 2jqn h LYS 48 Cb 0.27 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2jqn h LYS 48 CO 0.01 0.55 -1.74 -1.49 -0.57 0.00 0.00 179.45 176.21 2jqn h TRP 49 N -0.91 0.43 -2.11 -1.35 4.06 -0.76 -3.40 115.95 111.92 2jqn h TRP 49 Ca -0.01 -0.32 -0.67 0.00 2.06 0.00 0.00 58.89 59.96 2jqn h TRP 49 Cb 0.64 -0.02 -0.37 0.00 -1.00 0.00 0.00 29.16 28.42 2jqn h TRP 49 CO 0.16 1.69 -0.04 1.19 -3.56 0.00 0.00 178.44 177.87 2jqn n PHE 50 N -3.73 3.50 0.02 0.49 3.72 0.11 -4.88 117.46 116.70 2jqn n PHE 50 Ca -0.30 -3.29 0.00 0.00 -0.05 0.00 0.00 57.45 53.81 2jqn n PHE 50 Cb 0.97 -0.67 0.01 0.00 -0.94 0.00 0.00 39.48 38.85 2jqn n PHE 50 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2jqn n ARG 51 N -0.27 0.01 0.00 -1.08 0.00 -1.17 -4.38 116.66 109.77 2jqn n ARG 51 Ca 0.39 0.22 0.00 0.00 -0.00 0.00 0.00 57.85 58.46 2jqn n ARG 51 Cb 0.39 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.35 2jqn n ARG 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jqn n GLY 52 N -1.19 -0.68 1.48 2.89 0.00 -1.26 -4.64 105.19 101.79 2jqn n GLY 52 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 2jqn n GLY 52 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jqn n GLN 53 N 0.00 2.65 0.00 1.61 6.02 -1.26 -5.02 117.38 121.38 2jqn n GLN 53 Ca 0.00 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 53.93 2jqn n GLN 53 Cb 0.00 -1.98 0.00 0.00 1.02 0.00 0.00 30.24 29.28 2jqn n GLN 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jqn n ALA 54 N -0.73 0.00 -1.67 -1.58 0.00 -1.26 -4.47 120.51 110.79 2jqn n ALA 54 Ca 0.36 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.40 2jqn n ALA 54 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.63 2jqn n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jqn n ASN 55 N 1.75 7.18 -4.80 0.00 4.13 -1.26 -4.65 115.26 117.62 2jqn n ASN 55 Ca 0.00 -2.82 -0.39 0.00 1.68 0.00 0.00 54.58 53.05 2jqn n ASN 55 Cb 0.00 -1.52 -0.06 0.00 -1.54 0.00 0.00 39.78 36.66 2jqn n ASN 55 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2jqn s LEU 56 N 0.01 4.51 0.01 3.41 1.43 -1.26 -0.28 118.68 126.51 2jqn s LEU 56 Ca 0.58 1.29 0.07 0.00 -1.03 0.00 0.00 54.13 55.04 2jqn s LEU 56 Cb 0.16 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 2jqn s LEU 56 CO -0.07 0.23 -0.22 -0.69 0.23 0.00 0.00 176.35 175.84 2jqn s VAL 57 N -0.92 1.73 -0.28 -1.59 1.01 0.30 -3.18 120.40 117.47 2jqn s VAL 57 Ca 0.30 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 2jqn s VAL 57 Cb -0.20 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2jqn s VAL 57 CO 0.20 0.38 0.05 -0.22 0.00 0.00 0.00 175.10 175.51 2jqn s LEU 58 N -0.78 3.69 -0.52 3.92 0.20 0.22 -1.09 118.68 124.31 2jqn s LEU 58 Ca 0.08 -0.69 -0.29 0.00 0.69 0.00 0.00 54.13 53.93 2jqn s LEU 58 Cb -0.09 -1.84 0.03 0.00 -0.43 0.00 0.00 46.19 43.86 2jqn s LEU 58 CO 0.00 -0.17 1.16 -0.76 -0.29 0.00 0.00 176.35 176.29 2jqn s LEU 59 N 1.48 3.57 -0.42 -0.68 1.43 0.57 0.21 118.68 124.84 2jqn s LEU 59 Ca 0.03 0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 53.26 2jqn s LEU 59 Cb -0.17 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.67 2jqn s LEU 59 CO 0.01 -1.34 0.55 0.00 0.23 0.00 0.00 176.35 175.80 2jqn s ALA 60 N 4.63 3.39 -0.21 4.21 0.00 -0.28 -2.00 121.76 131.50 2jqn s ALA 60 Ca 0.46 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 51.11 2jqn s ALA 60 Cb -0.07 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.91 2jqn s ALA 60 CO 0.30 -1.66 -0.17 0.08 0.00 0.00 0.00 175.76 174.30 2jqn s VAL 61 N 2.50 2.10 -0.64 0.00 1.01 -0.39 -1.60 120.40 123.38 2jqn s VAL 61 Ca 0.18 -1.17 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 2jqn s VAL 61 Cb -0.15 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2jqn s VAL 61 CO 0.16 0.35 1.27 -1.83 0.00 0.00 0.00 175.10 175.05 2jqn s GLU 62 N 1.23 3.34 0.00 2.72 -1.05 -1.26 -0.86 118.70 122.81 2jqn s GLU 62 Ca 0.00 0.08 -0.00 0.00 -0.15 0.00 0.00 54.97 54.90 2jqn s GLU 62 Cb -0.15 -4.10 -0.01 0.00 -0.44 0.00 0.00 34.13 29.42 2jqn s GLU 62 CO -0.10 -1.92 1.81 0.00 0.95 0.00 0.00 175.26 175.99 2jqn n ALA 63 N 9.03 3.77 -0.01 -0.84 0.00 0.33 -4.28 120.51 128.51 2jqn n ALA 63 Ca 0.07 -0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 2jqn n ALA 63 Cb 0.49 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 2jqn n ALA 63 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2jqn h GLU 64 N 1.55 0.29 0.00 0.00 4.57 -1.91 -3.45 114.58 115.64 2jqn h GLU 64 Ca 0.01 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2jqn h GLU 64 Cb 0.89 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2jqn h GLU 64 CO 0.02 1.01 0.00 -0.35 -1.18 0.00 0.00 179.01 178.51 2jqn n PRO 65 N -4.36 1.88 0.00 0.92 -0.04 -1.26 -4.62 135.00 127.52 2jqn n PRO 65 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2jqn n PRO 65 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 2jqn n PRO 65 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jqn n LEU 66 N 0.00 0.00 0.00 1.53 4.77 -1.26 -4.88 117.00 117.16 2jqn n LEU 66 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2jqn n LEU 66 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2jqn n LEU 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2jqn n GLY 67 N 0.00 1.50 0.11 -0.72 0.00 -1.26 -3.80 105.19 101.02 2jqn n GLY 67 Ca 0.00 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.16 0.23 1.61 4.71 -1.26 -2.29 120.64 123.80 2jqn n GLU 68 Ca 0.00 0.40 0.16 0.00 -0.01 0.00 0.00 57.16 57.71 2jqn n GLU 68 Cb 0.00 -1.81 0.70 0.00 -1.01 0.00 0.00 31.44 29.31 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 -4.09 1.62 3.32 -1.94 -3.43 116.42 111.89 2jqn h ASP 69 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2jqn h ASP 69 Cb 0.34 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.67 2jqn h ASP 69 CO 0.00 0.00 -0.84 -0.22 -1.72 0.00 0.00 179.24 176.46 2jqn s LEU 70 N -5.42 2.30 -0.14 1.55 2.96 -0.97 -1.67 118.68 117.29 2jqn s LEU 70 Ca 0.01 -0.70 -0.07 0.00 -0.22 0.00 0.00 54.13 53.14 2jqn s LEU 70 Cb 0.09 -1.00 0.06 0.00 0.50 0.00 0.00 46.19 45.84 2jqn s LEU 70 CO 0.43 0.10 0.33 -0.75 -1.32 0.00 0.00 176.35 175.15 2jqn s LYS 71 N -1.94 0.29 -1.03 1.98 2.20 -1.00 -4.93 119.74 115.31 2jqn s LYS 71 Ca 0.09 0.70 -0.23 0.00 -0.36 0.00 0.00 55.97 56.17 2jqn s LYS 71 Cb -0.10 -0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.15 2jqn s LYS 71 CO 0.05 -0.18 1.83 -1.58 -0.36 0.00 0.00 175.35 175.11 2jqn s TRP 72 N 1.53 2.06 -0.08 4.03 0.52 -1.26 -1.43 118.94 124.31 2jqn s TRP 72 Ca -0.08 0.12 -0.24 0.00 0.02 0.00 0.00 56.10 55.92 2jqn s TRP 72 Cb -0.10 -4.22 -0.03 0.00 -1.15 0.00 0.00 33.47 27.97 2jqn s TRP 72 CO -0.11 -1.66 0.72 -2.00 0.02 0.00 0.00 176.95 173.93 2jqn s GLU 73 N 6.26 4.41 0.51 4.98 2.12 0.39 -4.56 118.70 132.81 2jqn s GLU 73 Ca 0.64 0.91 -0.19 0.00 0.36 0.00 0.00 54.97 56.69 2jqn s GLU 73 Cb -0.03 -3.47 -0.08 0.00 0.26 0.00 0.00 34.13 30.81 2jqn s GLU 73 CO 0.02 -0.00 1.02 0.00 -0.54 0.00 0.00 175.26 175.75 2jqn s ALA 74 N 1.03 2.90 0.37 6.30 0.00 -1.26 -0.39 121.76 130.71 2jqn s ALA 74 Ca 0.38 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.81 2jqn s ALA 74 Cb -0.18 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 2jqn s ALA 74 CO 0.17 -0.35 0.14 0.45 0.00 0.00 0.00 175.76 176.17 2jqn n SER 75 N -1.29 1.14 -4.53 0.00 2.88 -0.46 -4.91 113.62 106.45 2jqn n SER 75 Ca 0.08 -2.97 -0.40 0.00 -1.33 0.00 0.00 58.87 54.25 2jqn n SER 75 Cb 0.53 0.96 -0.05 0.00 -0.75 0.00 0.00 64.21 64.89 2jqn n SER 75 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jqn n ARG 76 N -0.82 1.05 0.00 -1.46 3.00 -1.26 -1.15 116.66 116.01 2jqn n ARG 76 Ca -0.05 0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 2jqn n ARG 76 Cb 0.56 -2.96 0.00 0.00 0.00 0.00 0.00 32.46 30.06 2jqn n ARG 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jqn n GLY 77 N 6.14 1.45 0.23 5.14 0.00 -1.26 -4.75 105.19 112.14 2jqn n GLY 77 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.46 3.77 -0.02 0.00 -0.30 -5.07 105.19 104.03 2jqn n GLY 78 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2jqn n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jqn s ALA 79 N -2.13 3.47 -0.37 4.61 0.00 -1.25 -4.77 121.76 121.31 2jqn s ALA 79 Ca 0.00 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 2jqn s ALA 79 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2jqn s ALA 79 CO 0.00 -0.68 0.22 1.03 0.00 0.00 0.00 175.76 176.33 2jqn s ARG 80 N -1.87 3.05 -0.31 0.00 1.81 -1.26 -1.35 118.95 119.03 2jqn s ARG 80 Ca 0.50 -0.93 -0.08 0.00 -1.72 0.00 0.00 55.73 53.50 2jqn s ARG 80 Cb -0.40 -3.77 0.01 0.00 -0.45 0.00 0.00 34.95 30.34 2jqn s ARG 80 CO 0.53 -0.62 0.10 -0.06 -0.68 0.00 0.00 175.30 174.57 2jqn s PHE 81 N 1.62 3.17 -0.50 -0.53 0.40 0.47 -4.82 117.98 117.79 2jqn s PHE 81 Ca 0.04 -0.95 -0.27 0.00 -0.60 0.00 0.00 56.93 55.15 2jqn s PHE 81 Cb -0.18 -2.29 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 2jqn s PHE 81 CO 0.08 -0.58 1.95 -1.25 0.70 0.00 0.00 175.22 176.12 2jqn s PRO 82 N 1.51 2.75 -0.19 0.24 0.04 -1.26 -0.46 135.00 137.63 2jqn s PRO 82 Ca 0.02 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 2jqn s PRO 82 Cb -0.18 -4.37 -0.05 0.00 0.04 0.00 0.00 34.50 29.95 2jqn s PRO 82 CO 0.03 -2.56 0.18 -1.01 0.04 0.00 0.00 177.00 173.68 2jqn s HIS 83 N 8.97 3.42 -0.06 0.56 3.76 -0.51 -3.82 115.29 127.61 2jqn s HIS 83 Ca 0.77 0.40 -0.13 0.00 -0.15 0.00 0.00 55.06 55.95 2jqn s HIS 83 Cb -0.17 -2.22 -0.05 0.00 1.11 0.00 0.00 32.58 31.26 2jqn s HIS 83 CO 0.26 0.27 0.34 -1.17 -0.85 0.00 0.00 174.74 173.58 2jqn s LEU 84 N 0.42 4.40 -0.06 0.89 2.96 -1.08 -2.37 118.68 123.84 2jqn s LEU 84 Ca 0.10 0.77 0.16 0.00 -0.22 0.00 0.00 54.13 54.94 2jqn s LEU 84 Cb -0.12 -2.45 0.53 0.00 0.50 0.00 0.00 46.19 44.66 2jqn s LEU 84 CO -0.00 0.27 1.45 -1.22 -1.32 0.00 0.00 176.35 175.53 2jqn n TYR 85 N 2.34 0.95 -3.98 5.38 4.02 -0.67 -1.11 117.16 124.09 2jqn n TYR 85 Ca -0.14 -0.59 -0.09 0.00 -0.01 0.00 0.00 57.90 57.07 2jqn n TYR 85 Cb 0.53 -0.13 -0.10 0.00 -0.02 0.00 0.00 39.34 39.62 2jqn n TYR 85 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2jqn s ARG 86 N -1.53 0.50 0.22 -0.72 0.52 -1.26 -5.03 118.95 111.65 2jqn s ARG 86 Ca 0.40 -0.81 -0.32 0.00 -0.52 0.00 0.00 55.73 54.47 2jqn s ARG 86 Cb 0.24 0.19 -0.13 0.00 0.52 0.00 0.00 34.95 35.77 2jqn s ARG 86 CO 0.21 -0.11 1.54 -0.35 0.02 0.00 0.00 175.30 176.62 2jqn n PRO 87 N 0.89 2.30 -2.54 3.54 -0.04 -1.26 -4.92 135.00 132.97 2jqn n PRO 87 Ca -0.19 0.83 -0.42 0.00 -0.04 0.00 0.00 63.50 63.67 2jqn n PRO 87 Cb 0.58 -2.57 -0.02 0.00 -0.04 0.00 0.00 33.50 31.44 2jqn n PRO 87 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jqn s LEU 88 N 0.39 3.42 0.05 1.53 2.96 -0.90 -4.89 118.68 121.24 2jqn s LEU 88 Ca 0.72 0.10 -0.30 0.00 -0.22 0.00 0.00 54.13 54.42 2jqn s LEU 88 Cb -0.61 -3.10 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 2jqn s LEU 88 CO 0.43 -1.55 1.72 -0.76 -1.32 0.00 0.00 176.35 174.87 2jqn s LEU 89 N 5.23 4.37 0.29 -0.68 2.01 -1.26 0.43 118.68 129.07 2jqn s LEU 89 Ca 0.44 2.50 0.00 0.00 0.01 0.00 0.00 54.13 57.09 2jqn s LEU 89 Cb -0.08 -3.55 0.52 0.00 0.01 0.00 0.00 46.19 43.08 2jqn s LEU 89 CO 0.24 -0.93 1.87 0.58 1.01 0.00 0.00 176.35 179.13 2jqn h VAL 90 N 5.04 1.01 0.00 -1.59 2.07 -1.37 -0.96 116.25 120.44 2jqn h VAL 90 Ca -0.43 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2jqn h VAL 90 Cb 1.20 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2jqn h VAL 90 CO 0.94 0.19 0.00 -0.24 0.02 0.00 0.00 177.57 178.48 2jqn n SER 91 N -4.54 0.00 -0.00 0.57 2.88 -1.26 -2.30 113.62 108.96 2jqn n SER 91 Ca 0.16 -0.13 0.10 0.00 -1.33 0.00 0.00 58.87 57.68 2jqn n SER 91 Cb 0.26 -0.23 -0.11 0.00 -0.75 0.00 0.00 64.21 63.39 2jqn n SER 91 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2jqn n GLU 92 N -1.23 0.10 -2.21 -1.46 4.07 -0.37 -4.97 120.64 114.57 2jqn n GLU 92 Ca 0.11 -0.03 -0.41 0.00 -0.06 0.00 0.00 57.16 56.77 2jqn n GLU 92 Cb 0.14 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 29.99 2jqn n GLU 92 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2jqn s VAL 93 N -3.08 3.11 0.03 6.31 1.01 -0.97 -4.87 120.40 121.94 2jqn s VAL 93 Ca 0.06 0.96 -0.25 0.00 0.00 0.00 0.00 61.98 62.75 2jqn s VAL 93 Cb 0.16 -3.61 -0.18 0.00 0.00 0.00 0.00 36.38 32.75 2jqn s VAL 93 CO 0.87 0.16 1.49 0.74 0.00 0.00 0.00 175.10 178.36 2jqn h THR 94 N 3.57 1.21 -2.42 3.92 2.02 -1.64 -3.46 112.91 116.09 2jqn h THR 94 Ca -0.46 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.03 2jqn h THR 94 Cb 1.22 1.62 -0.22 0.00 -1.74 0.00 0.00 68.15 69.03 2jqn h THR 94 CO 0.75 0.16 -0.05 -0.60 0.37 0.00 0.00 175.52 176.14 2jqn s ARG 95 N -5.17 0.72 -0.96 6.66 6.06 -0.93 -5.03 118.95 120.30 2jqn s ARG 95 Ca -0.15 0.55 -0.14 0.00 -2.50 0.00 0.00 55.73 53.50 2jqn s ARG 95 Cb 0.04 0.34 0.21 0.00 0.06 0.00 0.00 34.95 35.60 2jqn s ARG 95 CO 0.67 -0.13 0.99 -1.83 -2.50 0.00 0.00 175.30 172.49 2jqn s GLU 96 N -0.19 3.81 -1.07 5.12 -1.05 -1.26 -1.13 118.70 122.93 2jqn s GLU 96 Ca -0.04 -2.55 -0.22 0.00 -0.15 0.00 0.00 54.97 52.01 2jqn s GLU 96 Cb -0.03 -4.61 0.01 0.00 -0.44 0.00 0.00 34.13 29.06 2jqn s GLU 96 CO 0.03 -1.41 1.71 0.00 0.95 0.00 0.00 175.26 176.54 2jqn s ALA 97 N 0.36 2.45 0.32 -0.84 0.00 0.13 -4.81 121.76 119.38 2jqn s ALA 97 Ca 0.26 -2.20 -0.29 0.00 0.00 0.00 0.00 51.96 49.73 2jqn s ALA 97 Cb -0.08 -4.58 -0.10 0.00 0.00 0.00 0.00 23.12 18.35 2jqn s ALA 97 CO -0.08 -4.08 1.32 0.34 0.00 0.00 0.00 175.76 173.26 2jqn s ASP 98 N 5.80 6.76 0.00 0.00 -1.08 -1.26 -0.61 116.67 126.27 2jqn s ASP 98 Ca 0.57 2.68 -0.02 0.00 -0.52 0.00 0.00 52.55 55.26 2jqn s ASP 98 Cb -0.01 -2.65 -0.01 0.00 -1.46 0.00 0.00 42.92 38.80 2jqn s ASP 98 CO -0.00 -0.55 0.03 -1.48 0.52 0.00 0.00 175.17 173.68 2jqn s LEU 99 N -1.59 1.95 -0.06 -1.34 2.34 -1.19 -4.94 118.68 113.85 2jqn s LEU 99 Ca 0.50 -0.18 -0.21 0.00 0.06 0.00 0.00 54.13 54.31 2jqn s LEU 99 Cb -0.40 0.20 -0.04 0.00 -0.56 0.00 0.00 46.19 45.39 2jqn s LEU 99 CO 0.51 -0.17 0.61 -1.81 -1.06 0.00 0.00 176.35 174.43 2jqn s ASP 100 N -0.73 6.91 0.52 1.48 1.01 -1.26 -4.52 116.67 120.09 2jqn s ASP 100 Ca -0.08 1.09 -0.20 0.00 0.71 0.00 0.00 52.55 54.07 2jqn s ASP 100 Cb -0.05 -2.37 -0.07 0.00 1.01 0.00 0.00 42.92 41.45 2jqn s ASP 100 CO -0.00 -0.01 1.11 -0.76 0.21 0.00 0.00 175.17 175.72 2jqn s LEU 101 N 0.39 3.79 1.08 1.23 1.43 -1.26 -4.90 118.68 120.44 2jqn s LEU 101 Ca 0.32 2.12 -0.12 0.00 -1.03 0.00 0.00 54.13 55.42 2jqn s LEU 101 Cb -0.17 -4.56 0.24 0.00 0.03 0.00 0.00 46.19 41.73 2jqn s LEU 101 CO 0.16 -1.09 1.07 -0.62 0.23 0.00 0.00 176.35 176.10 2jqn s ASP 102 N -1.81 1.59 0.57 2.29 -1.08 -0.99 -4.81 116.67 112.43 2jqn s ASP 102 Ca 0.71 1.75 0.28 0.00 -0.52 0.00 0.00 52.55 54.76 2jqn s ASP 102 Cb -0.22 -2.40 1.69 0.00 -1.46 0.00 0.00 42.92 40.53 2jqn s ASP 102 CO 0.25 -3.86 2.21 0.00 0.52 0.00 0.00 175.17 174.30 2jqn h ALA 103 N -2.39 1.55 0.00 3.66 0.00 -1.95 0.16 119.26 120.29 2jqn h ALA 103 Ca -0.55 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2jqn h ALA 103 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2jqn h ALA 103 CO 0.47 0.03 -0.19 -3.47 0.00 0.00 0.00 179.25 176.09 2jqn n ASP 104 N -3.91 0.29 0.00 0.00 2.03 -1.26 -4.92 116.55 108.78 2jqn n ASP 104 Ca -0.03 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.55 2jqn n ASP 104 Cb 0.11 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 2jqn n ASP 104 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqn n GLY 105 N 1.47 1.02 3.54 0.27 0.00 0.58 -5.06 105.19 107.00 2jqn n GLY 105 Ca 0.06 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 2jqn n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jqn s VAL 106 N -2.00 4.70 -1.12 1.61 1.01 -1.26 -4.13 120.40 119.21 2jqn s VAL 106 Ca 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 2jqn s VAL 106 Cb 0.00 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 2jqn s VAL 106 CO 0.00 0.36 1.89 -2.16 0.00 0.00 0.00 175.10 175.19 2jqn s PRO 107 N 1.22 2.72 -0.35 2.72 0.04 -1.26 -2.36 135.00 137.74 2jqn s PRO 107 Ca 0.05 -1.04 -0.29 0.00 0.04 0.00 0.00 61.00 59.76 2jqn s PRO 107 Cb -0.14 -5.24 0.02 0.00 0.04 0.00 0.00 34.50 29.18 2jqn s PRO 107 CO 0.04 -3.57 1.08 1.14 0.04 0.00 0.00 177.00 175.73 2jqn s GLN 108 N 6.29 4.00 -0.02 4.56 -2.07 -1.26 -4.86 119.66 126.30 2jqn s GLN 108 Ca 0.66 0.97 0.12 0.00 -1.82 0.00 0.00 55.36 55.29 2jqn s GLN 108 Cb -0.02 -3.77 -0.23 0.00 -1.09 0.00 0.00 33.01 27.91 2jqn s GLN 108 CO 0.08 -0.98 0.76 -0.07 -1.32 0.00 0.00 175.29 173.77 2jqn h LEU 109 N 10.26 0.00 -0.78 2.60 4.07 -1.94 -3.39 115.31 126.12 2jqn h LEU 109 Ca -0.21 0.00 0.18 0.00 0.08 0.00 0.00 57.88 57.93 2jqn h LEU 109 Cb 1.06 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.68 2jqn h LEU 109 CO 1.04 0.99 0.13 1.23 -1.08 0.00 0.00 178.44 180.76 2jqn h GLY 110 N 3.44 1.05 1.06 0.83 0.00 -1.95 0.37 103.07 107.86 2jqn h GLY 110 Ca -0.24 0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 2jqn h GLY 110 CO 0.09 -0.28 0.13 -1.80 0.00 0.00 0.00 176.54 174.68 2jqn h ASP 111 N 0.19 1.05 1.51 0.19 1.82 -2.01 -3.16 116.42 116.01 2jqn h ASP 111 Ca 0.45 -0.25 -0.08 0.00 -0.39 0.00 0.00 57.03 56.76 2jqn h ASP 111 Cb 0.82 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.54 2jqn h ASP 111 CO -0.60 1.03 -0.40 -0.74 -1.61 0.00 0.00 179.24 176.92 2jqn h HIS 112 N 1.03 0.00 0.00 0.28 2.76 -0.90 -3.43 115.15 114.89 2jqn h HIS 112 Ca 0.21 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2jqn h HIS 112 Cb 0.41 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2jqn h HIS 112 CO 0.03 0.40 0.00 1.28 -1.30 0.00 0.00 177.93 178.34 2jqn n LEU 113 N -3.23 0.00 0.00 0.26 4.77 0.10 -4.86 117.00 114.04 2jqn n LEU 113 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2jqn n LEU 113 Cb 0.67 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2jqn n LEU 113 CO 0.39 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.45 2jqn n ALA 114 N -3.00 0.00 -1.99 -1.18 0.00 -1.21 -4.07 120.51 109.06 2jqn n ALA 114 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2jqn n ALA 114 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2jqn n ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jqn n LEU 115 N 0.00 -1.55 0.00 0.00 4.77 -1.26 -5.19 117.00 113.77 2jqn n LEU 115 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2jqn n LEU 115 Cb 0.00 -2.67 0.00 0.00 -2.33 0.00 0.00 43.42 38.42 2jqn n LEU 115 CO 0.00 -0.58 0.00 1.21 -1.33 0.00 0.00 177.39 176.69