#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqn s THR 2 N 0.00 3.64 -0.14 2.03 2.01 -1.26 -4.98 115.64 116.94 2jqn s THR 2 Ca 0.00 1.09 -0.02 0.00 0.31 0.00 0.00 61.69 63.07 2jqn s THR 2 Cb 0.00 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 2jqn s THR 2 CO 0.00 0.03 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.11 2jqn s LEU 3 N 1.95 2.98 -0.11 4.42 1.43 -1.26 -0.35 118.68 127.75 2jqn s LEU 3 Ca 0.63 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 2jqn s LEU 3 Cb -0.33 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 2jqn s LEU 3 CO 0.28 0.17 -0.14 0.27 0.23 0.00 0.00 176.35 177.16 2jqn s ILE 4 N 0.35 3.02 -0.12 -0.59 -4.36 0.23 -4.36 121.20 115.37 2jqn s ILE 4 Ca -0.08 -0.69 -0.03 0.00 -0.26 0.00 0.00 60.65 59.60 2jqn s ILE 4 Cb -0.15 -2.24 -0.03 0.00 1.25 0.00 0.00 42.46 41.28 2jqn s ILE 4 CO 0.04 0.54 -0.01 -0.31 0.24 0.00 0.00 174.94 175.44 2jqn s TYR 5 N 0.11 3.10 -0.14 1.37 1.51 0.30 -1.47 117.35 122.13 2jqn s TYR 5 Ca -0.06 -0.01 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 2jqn s TYR 5 Cb -0.15 -1.88 0.01 0.00 -0.11 0.00 0.00 41.96 39.84 2jqn s TYR 5 CO 0.05 0.24 -0.21 0.21 -1.11 0.00 0.00 175.55 174.73 2jqn s LYS 6 N -0.28 2.89 -0.04 -0.62 2.20 -0.16 -0.02 119.74 123.70 2jqn s LYS 6 Ca 0.06 -0.81 -0.15 0.00 -0.36 0.00 0.00 55.97 54.71 2jqn s LYS 6 Cb -0.12 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.77 2jqn s LYS 6 CO 0.02 -0.05 0.41 0.42 -0.36 0.00 0.00 175.35 175.79 2jqn s ILE 7 N 0.92 5.09 0.31 5.43 1.09 -1.26 -0.23 121.20 132.54 2jqn s ILE 7 Ca -0.05 0.84 -0.12 0.00 -1.10 0.00 0.00 60.65 60.22 2jqn s ILE 7 Cb -0.15 -3.73 0.01 0.00 -1.06 0.00 0.00 42.46 37.54 2jqn s ILE 7 CO -0.04 0.51 0.58 -1.48 -0.10 0.00 0.00 174.94 174.41 2jqn s LEU 8 N -0.57 0.34 0.33 2.97 2.34 0.12 -4.99 118.68 119.22 2jqn s LEU 8 Ca 0.24 -1.07 -0.14 0.00 0.06 0.00 0.00 54.13 53.21 2jqn s LEU 8 Cb -0.16 2.07 -0.09 0.00 -0.56 0.00 0.00 46.19 47.46 2jqn s LEU 8 CO 0.12 -1.33 0.74 -0.55 -1.06 0.00 0.00 176.35 174.27 2jqn s SER 9 N -3.07 6.74 0.41 1.48 0.15 -1.26 -0.35 113.70 117.79 2jqn s SER 9 Ca 0.21 1.26 0.09 0.00 0.70 0.00 0.00 55.95 58.21 2jqn s SER 9 Cb -0.02 -2.36 0.90 0.00 -1.71 0.00 0.00 66.02 62.82 2jqn s SER 9 CO 0.12 -0.23 2.03 -0.09 1.20 0.00 0.00 173.24 176.27 2jqn h ARG 10 N 2.11 0.52 -0.96 5.44 1.12 -1.42 -1.55 114.38 119.64 2jqn h ARG 10 Ca -0.48 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 58.37 2jqn h ARG 10 Cb 1.18 -0.12 -0.05 0.00 -0.01 0.00 0.00 29.97 30.97 2jqn h ARG 10 CO 0.65 0.34 0.64 0.00 -3.11 0.00 0.00 179.97 178.49 2jqn h ALA 11 N 1.72 1.32 0.30 2.80 0.00 -1.92 -1.67 119.26 121.81 2jqn h ALA 11 Ca 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2jqn h ALA 11 Cb 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2jqn h ALA 11 CO -0.05 0.63 -0.14 0.93 0.00 0.00 0.00 179.25 180.62 2jqn h GLU 12 N 1.30 -0.39 0.94 0.00 5.08 -1.68 -2.81 114.58 117.02 2jqn h GLU 12 Ca 0.36 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.70 2jqn h GLU 12 Cb -0.14 0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.21 2jqn h GLU 12 CO -0.08 -0.18 -0.45 2.35 -1.00 0.00 0.00 179.01 179.65 2jqn h TRP 13 N -0.52 -1.17 -0.15 4.33 -0.00 -1.19 -1.16 115.95 116.10 2jqn h TRP 13 Ca -0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.81 2jqn h TRP 13 Cb 0.39 0.39 -0.01 0.00 -0.00 0.00 0.00 29.16 29.93 2jqn h TRP 13 CO -0.02 -0.73 0.04 -0.44 -0.00 0.00 0.00 178.44 177.29 2jqn h ASP 14 N -1.30 0.18 0.68 2.65 5.19 -1.45 0.55 116.42 122.92 2jqn h ASP 14 Ca -0.13 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.23 2jqn h ASP 14 Cb 0.97 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.44 2jqn h ASP 14 CO 0.21 0.19 -0.33 0.00 -3.12 0.00 0.00 179.24 176.20 2jqn h ALA 15 N 1.84 -0.92 0.00 3.45 0.00 -1.41 -2.00 119.26 120.22 2jqn h ALA 15 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2jqn h ALA 15 Cb 0.08 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jqn h ALA 15 CO -0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 179.25 178.31 2jqn h ALA 16 N -1.10 1.78 0.00 0.00 0.00 -0.89 -1.00 119.26 118.05 2jqn h ALA 16 Ca -0.09 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2jqn h ALA 16 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2jqn h ALA 16 CO 0.15 0.07 -0.38 -0.22 0.00 0.00 0.00 179.25 178.88 2jqn h LYS 17 N 0.00 0.00 0.01 0.00 3.64 0.14 0.50 116.57 120.86 2jqn h LYS 17 Ca -0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 2jqn h LYS 17 Cb 0.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2jqn h LYS 17 CO 0.01 0.38 -0.90 0.00 -2.27 0.00 0.00 179.45 176.66 2jqn h ALA 18 N 1.62 0.52 0.00 5.00 0.00 -0.42 -3.27 119.26 122.72 2jqn h ALA 18 Ca -0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 54.91 53.92 2jqn h ALA 18 Cb 0.85 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2jqn h ALA 18 CO 0.05 1.07 -0.91 1.96 0.00 0.00 0.00 179.25 181.42 2jqn h GLN 19 N 0.02 0.00 0.00 0.00 1.08 -0.79 -3.48 115.11 111.94 2jqn h GLN 19 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2jqn h GLN 19 Cb 1.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.01 2jqn h GLN 19 CO 0.12 0.91 0.00 0.41 -0.95 0.00 0.00 178.83 179.33 2jqn n GLY 20 N 1.19 0.63 3.10 3.46 0.00 0.17 -5.04 105.19 108.70 2jqn n GLY 20 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2jqn n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jqn s ARG 21 N -0.78 0.23 -0.32 1.61 1.70 -0.76 -2.42 118.95 118.22 2jqn s ARG 21 Ca 0.00 0.72 -0.17 0.00 -0.47 0.00 0.00 55.73 55.80 2jqn s ARG 21 Cb 0.00 -0.02 -0.01 0.00 -0.57 0.00 0.00 34.95 34.35 2jqn s ARG 21 CO 0.00 -0.22 0.48 0.12 -1.08 0.00 0.00 175.30 174.61 2jqn s PHE 22 N 1.86 3.21 -1.01 5.89 5.36 0.11 -4.70 117.98 128.71 2jqn s PHE 22 Ca -0.05 0.32 0.12 0.00 -0.96 0.00 0.00 56.93 56.35 2jqn s PHE 22 Cb -0.11 -2.81 0.33 0.00 -0.34 0.00 0.00 43.02 40.09 2jqn s PHE 22 CO -0.10 -0.42 1.27 0.39 -1.46 0.00 0.00 175.22 174.90 2jqn n GLU 23 N 5.61 2.86 0.00 10.12 1.02 -1.26 -0.67 120.64 138.32 2jqn n GLU 23 Ca -0.05 -2.09 0.00 0.00 -0.02 0.00 0.00 57.16 54.99 2jqn n GLU 23 Cb 0.49 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 2jqn n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jqn n GLY 24 N 0.60 1.22 2.08 0.62 0.00 -1.26 -4.81 105.19 103.63 2jqn n GLY 24 Ca 0.13 -2.16 -0.16 0.00 0.00 0.00 0.00 46.02 43.82 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 0.00 1.46 -0.08 1.61 2.88 -1.26 -4.98 113.62 113.24 2jqn n SER 25 Ca 0.00 -2.33 0.15 0.00 -1.33 0.00 0.00 58.87 55.36 2jqn n SER 25 Cb 0.00 0.55 0.54 0.00 -0.75 0.00 0.00 64.21 64.55 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 1.36 2.14 -0.13 -1.46 0.00 -1.99 0.10 119.26 119.28 2jqn h ALA 26 Ca -0.21 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2jqn h ALA 26 Cb 0.75 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2jqn h ALA 26 CO 0.33 -0.30 -0.20 0.28 0.00 0.00 0.00 179.25 179.36 2jqn h VAL 27 N 0.32 1.37 -0.73 0.00 2.07 -1.99 -0.63 116.25 116.66 2jqn h VAL 27 Ca 0.30 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 2jqn h VAL 27 Cb 0.72 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2jqn h VAL 27 CO -0.07 0.42 0.32 0.44 0.02 0.00 0.00 177.57 178.69 2jqn h ASP 28 N -0.03 0.96 1.23 0.57 3.32 -1.56 -1.83 116.42 119.08 2jqn h ASP 28 Ca 0.01 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 2jqn h ASP 28 Cb 0.77 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 2jqn h ASP 28 CO 0.05 0.84 -0.13 -0.07 -1.72 0.00 0.00 179.24 178.21 2jqn h LEU 29 N 1.04 0.00 -0.54 1.55 3.38 -0.84 0.57 115.31 120.48 2jqn h LEU 29 Ca 0.25 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 2jqn h LEU 29 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2jqn h LEU 29 CO -0.03 0.13 -0.14 0.00 0.09 0.00 0.00 178.44 178.49 2jqn h ALA 30 N 1.87 0.74 0.27 1.53 0.00 -0.26 -3.28 119.26 120.13 2jqn h ALA 30 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2jqn h ALA 30 Cb 0.78 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jqn h ALA 30 CO 0.02 0.68 -0.13 -0.44 0.00 0.00 0.00 179.25 179.38 2jqn h ASP 31 N 0.91 -0.30 0.00 0.00 5.19 -1.35 -3.50 116.42 117.37 2jqn h ASP 31 Ca 0.13 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2jqn h ASP 31 Cb 0.72 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.31 2jqn h ASP 31 CO 0.05 0.17 0.00 0.61 -3.12 0.00 0.00 179.24 176.95 2jqn n GLY 32 N 0.82 1.94 3.42 2.75 0.00 0.18 -5.13 105.19 109.18 2jqn n GLY 32 Ca -0.05 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 2jqn n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jqn s PHE 33 N 0.00 1.89 0.23 1.61 0.08 -1.13 -4.68 117.98 115.98 2jqn s PHE 33 Ca 0.00 -0.97 -0.32 0.00 0.12 0.00 0.00 56.93 55.77 2jqn s PHE 33 Cb 0.00 -1.21 -0.14 0.00 -0.57 0.00 0.00 43.02 41.11 2jqn s PHE 33 CO 0.00 -0.02 1.42 -0.89 -0.10 0.00 0.00 175.22 175.63 2jqn n ILE 34 N -0.64 0.81 -3.70 0.64 5.41 -1.22 -4.67 119.36 115.99 2jqn n ILE 34 Ca -0.02 -0.20 -0.16 0.00 1.00 0.00 0.00 62.75 63.37 2jqn n ILE 34 Cb 0.66 -1.46 -0.15 0.00 -0.71 0.00 0.00 39.64 37.98 2jqn n ILE 34 CO 0.00 0.00 0.00 -1.38 0.00 0.00 0.00 176.55 175.17 2jqn s HIS 35 N 0.07 -0.17 0.00 1.39 -3.43 -1.26 0.38 115.29 112.27 2jqn s HIS 35 Ca 0.70 0.55 0.00 0.00 -0.80 0.00 0.00 55.06 55.51 2jqn s HIS 35 Cb -0.66 -0.20 0.00 0.00 -1.43 0.00 0.00 32.58 30.28 2jqn s HIS 35 CO 0.48 -0.23 0.00 1.28 -2.00 0.00 0.00 174.74 174.27 2jqn n LEU 36 N 4.92 0.00 -4.03 5.38 4.32 -0.07 -4.94 117.00 122.59 2jqn n LEU 36 Ca -0.12 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.75 2jqn n LEU 36 Cb 0.50 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.19 2jqn n LEU 36 CO 0.09 -0.15 -0.38 -0.94 -1.22 0.00 0.00 177.39 174.79 2jqn s SER 37 N -1.00 0.59 -0.42 -1.43 1.04 0.97 -3.96 113.70 109.48 2jqn s SER 37 Ca 0.00 -0.53 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 2jqn s SER 37 Cb 0.00 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.21 2jqn s SER 37 CO 0.00 -0.25 0.36 0.00 0.98 0.00 0.00 173.24 174.33 2jqn s ALA 38 N -1.44 3.47 0.00 5.32 0.00 -1.26 -0.54 121.76 127.31 2jqn s ALA 38 Ca -0.12 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.14 2jqn s ALA 38 Cb -0.10 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2jqn s ALA 38 CO -0.00 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 174.64 2jqn n GLY 39 N 5.15 0.76 0.31 0.00 0.00 -1.26 -2.22 105.19 107.94 2jqn n GLY 39 Ca -0.10 0.60 -0.01 0.00 0.00 0.00 0.00 46.02 46.51 2jqn n GLY 39 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jqn h GLU 40 N 0.00 0.96 -0.59 1.61 4.81 -1.99 -2.08 114.58 117.30 2jqn h GLU 40 Ca 0.00 -0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.34 2jqn h GLU 40 Cb 0.00 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2jqn h GLU 40 CO 0.00 0.63 0.47 1.96 -0.73 0.00 0.00 179.01 181.34 2jqn h GLN 41 N 0.99 0.00 0.52 1.92 4.20 -1.80 -1.20 115.11 119.74 2jqn h GLN 41 Ca 0.34 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.03 2jqn h GLN 41 Cb 0.07 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.86 2jqn h GLN 41 CO -0.14 0.00 -0.25 0.00 -0.67 0.00 0.00 178.83 177.77 2jqn h ALA 42 N 1.62 -0.70 -0.64 3.87 0.00 -1.58 -0.87 119.26 120.96 2jqn h ALA 42 Ca 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jqn h ALA 42 Cb 1.22 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 2jqn h ALA 42 CO -0.00 -0.78 0.36 0.37 0.00 0.00 0.00 179.25 179.20 2jqn h GLN 43 N -0.92 0.89 0.33 0.00 4.15 -1.45 -0.30 115.11 117.81 2jqn h GLN 43 Ca -0.07 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2jqn h GLN 43 Cb 0.61 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 2jqn h GLN 43 CO 0.12 0.66 -0.38 0.93 -1.93 0.00 0.00 178.83 178.23 2jqn h GLU 44 N 0.87 -0.72 -0.90 1.69 4.39 -1.27 0.12 114.58 118.76 2jqn h GLU 44 Ca 0.23 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.04 2jqn h GLU 44 Cb 0.03 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 2jqn h GLU 44 CO -0.04 -0.48 0.58 1.15 -1.16 0.00 0.00 179.01 179.06 2jqn h THR 45 N -0.75 1.06 -0.43 1.13 2.02 -1.03 0.18 112.91 115.09 2jqn h THR 45 Ca -0.02 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 2jqn h THR 45 Cb 0.68 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2jqn h THR 45 CO -0.09 0.18 0.00 0.00 0.37 0.00 0.00 175.52 175.99 2jqn h ALA 46 N 1.52 1.19 0.00 6.16 0.00 -0.57 0.49 119.26 128.04 2jqn h ALA 46 Ca 0.39 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2jqn h ALA 46 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2jqn h ALA 46 CO -0.15 0.53 -0.88 0.00 0.00 0.00 0.00 179.25 178.75 2jqn h ALA 47 N 1.34 0.66 0.00 0.00 0.00 0.22 -3.24 119.26 118.25 2jqn h ALA 47 Ca 0.13 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2jqn h ALA 47 Cb 0.41 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jqn h ALA 47 CO 0.02 0.66 -0.51 0.87 0.00 0.00 0.00 179.25 180.28 2jqn h LYS 48 N 0.00 0.00 0.01 0.00 1.57 -0.52 -3.45 116.57 114.19 2jqn h LYS 48 Ca -0.07 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.35 2jqn h LYS 48 Cb 1.41 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.66 2jqn h LYS 48 CO 0.05 0.10 -2.25 0.91 -0.57 0.00 0.00 179.45 177.69 2jqn n TRP 49 N -4.62 0.32 -2.72 -1.35 7.02 0.14 -4.61 117.44 111.62 2jqn n TRP 49 Ca -0.09 0.09 -0.42 0.00 -1.02 0.00 0.00 57.50 56.07 2jqn n TRP 49 Cb 0.27 -1.05 0.01 0.00 -2.42 0.00 0.00 31.31 28.13 2jqn n TRP 49 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2jqn n PHE 50 N -3.02 2.54 -4.54 -5.99 3.72 -1.07 -4.98 117.46 104.12 2jqn n PHE 50 Ca -0.34 -2.59 -0.34 0.00 -0.05 0.00 0.00 57.45 54.13 2jqn n PHE 50 Cb 1.08 -1.30 -0.11 0.00 -0.94 0.00 0.00 39.48 38.21 2jqn n PHE 50 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2jqn s ARG 51 N -3.27 2.89 -1.41 -1.08 1.81 -1.26 -4.70 118.95 111.93 2jqn s ARG 51 Ca 0.37 -0.51 -0.10 0.00 -1.72 0.00 0.00 55.73 53.77 2jqn s ARG 51 Cb 0.13 -2.67 0.03 0.00 -0.45 0.00 0.00 34.95 31.99 2jqn s ARG 51 CO -0.03 0.64 1.12 0.41 -0.68 0.00 0.00 175.30 176.77 2jqn n GLY 52 N 2.31 -0.54 3.44 -3.53 0.00 -1.26 -5.00 105.19 100.61 2jqn n GLY 52 Ca -0.18 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -6.38 2.21 -0.04 1.61 -0.21 -1.26 -5.11 119.66 110.48 2jqn s GLN 53 Ca 0.60 -0.88 -0.30 0.00 0.02 0.00 0.00 55.36 54.80 2jqn s GLN 53 Cb -0.28 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 2jqn s GLN 53 CO 0.75 0.57 1.05 0.00 -2.12 0.00 0.00 175.29 175.54 2jqn s ALA 54 N -0.82 3.33 -0.37 6.09 0.00 -1.26 -4.44 121.76 124.28 2jqn s ALA 54 Ca 0.13 0.54 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 2jqn s ALA 54 Cb -0.10 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.61 2jqn s ALA 54 CO 0.03 -0.47 0.36 0.09 0.00 0.00 0.00 175.76 175.76 2jqn n ASN 55 N 4.50 -7.90 -4.76 0.00 3.02 -1.26 -4.65 115.26 104.21 2jqn n ASN 55 Ca 0.08 0.87 -0.36 0.00 -0.03 0.00 0.00 54.58 55.14 2jqn n ASN 55 Cb 0.49 -5.19 -0.08 0.00 -0.61 0.00 0.00 39.78 34.39 2jqn n ASN 55 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jqn s LEU 56 N -2.19 4.12 0.15 3.41 1.43 -1.26 -1.19 118.68 123.14 2jqn s LEU 56 Ca 0.15 0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.61 2jqn s LEU 56 Cb -0.04 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2jqn s LEU 56 CO 0.76 0.29 -0.08 -0.69 0.23 0.00 0.00 176.35 176.87 2jqn s VAL 57 N -0.31 3.37 -0.17 -1.59 1.01 0.52 -0.47 120.40 122.76 2jqn s VAL 57 Ca 0.10 -1.47 -0.01 0.00 0.00 0.00 0.00 61.98 60.60 2jqn s VAL 57 Cb -0.12 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.66 2jqn s VAL 57 CO 0.01 -0.04 -0.05 -0.22 0.00 0.00 0.00 175.10 174.81 2jqn s LEU 58 N -2.65 1.63 -0.49 3.92 0.20 0.10 -0.70 118.68 120.68 2jqn s LEU 58 Ca 0.24 -0.68 -0.21 0.00 0.69 0.00 0.00 54.13 54.17 2jqn s LEU 58 Cb -0.10 -0.91 0.04 0.00 -0.43 0.00 0.00 46.19 44.80 2jqn s LEU 58 CO 0.15 -0.19 0.73 -0.76 -0.29 0.00 0.00 176.35 176.00 2jqn s LEU 59 N 1.64 4.53 -0.47 -0.68 1.43 0.68 -1.29 118.68 124.52 2jqn s LEU 59 Ca 0.00 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.40 2jqn s LEU 59 Cb -0.15 -2.68 0.05 0.00 0.03 0.00 0.00 46.19 43.43 2jqn s LEU 59 CO -0.08 -0.96 0.52 0.00 0.23 0.00 0.00 176.35 176.07 2jqn s ALA 60 N 3.11 3.43 0.03 4.21 0.00 -0.74 -0.99 121.76 130.80 2jqn s ALA 60 Ca 0.23 -1.68 0.08 0.00 0.00 0.00 0.00 51.96 50.58 2jqn s ALA 60 Cb -0.15 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 2jqn s ALA 60 CO 0.17 -1.80 -0.23 0.08 0.00 0.00 0.00 175.76 173.98 2jqn s VAL 61 N 2.31 2.43 0.04 0.00 1.01 -0.54 -1.74 120.40 123.91 2jqn s VAL 61 Ca 0.13 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 2jqn s VAL 61 Cb -0.19 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 2jqn s VAL 61 CO 0.12 0.39 1.30 -0.70 0.00 0.00 0.00 175.10 176.21 2jqn s GLU 62 N -1.21 4.35 0.17 2.72 2.12 -1.26 -0.60 118.70 124.99 2jqn s GLU 62 Ca 0.13 1.88 -0.14 0.00 0.36 0.00 0.00 54.97 57.19 2jqn s GLU 62 Cb -0.10 -3.42 0.14 0.00 0.26 0.00 0.00 34.13 31.01 2jqn s GLU 62 CO 0.03 -0.41 1.72 0.00 -0.54 0.00 0.00 175.26 176.05 2jqn h ALA 63 N 7.18 0.48 -2.99 6.30 0.00 -1.02 -3.46 119.26 125.75 2jqn h ALA 63 Ca -0.40 0.10 0.30 0.00 0.00 0.00 0.00 54.91 54.91 2jqn h ALA 63 Cb 1.20 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.96 2jqn h ALA 63 CO 0.86 -0.33 -1.04 0.39 0.00 0.00 0.00 179.25 179.13 2jqn n GLU 64 N -5.12 -2.84 0.34 0.00 1.02 -1.26 -4.71 120.64 108.08 2jqn n GLU 64 Ca 0.04 2.29 -0.16 0.00 -0.02 0.00 0.00 57.16 59.32 2jqn n GLU 64 Cb 0.21 -3.33 -0.08 0.00 -0.02 0.00 0.00 31.44 28.23 2jqn n GLU 64 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2jqn h PRO 65 N -1.21 -0.92 -5.68 3.49 0.11 -1.99 -3.47 132.00 122.33 2jqn h PRO 65 Ca -0.16 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2jqn h PRO 65 Cb 1.18 0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.50 2jqn h PRO 65 CO 0.06 -0.61 0.00 1.47 -0.21 0.00 0.00 178.00 178.71 2jqn n LEU 66 N -4.88 0.00 -4.54 2.35 -0.00 -1.26 -4.64 117.00 104.03 2jqn n LEU 66 Ca -0.12 0.00 -0.54 0.00 -0.00 0.00 0.00 56.01 55.35 2jqn n LEU 66 Cb 0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.76 2jqn n LEU 66 CO 0.27 0.00 0.70 0.61 -0.00 0.00 0.00 177.39 178.98 2jqn n GLY 67 N -0.64 0.01 4.07 1.47 0.00 -1.26 -1.93 105.19 106.91 2jqn n GLY 67 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 2jqn n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jqn n GLU 68 N 1.94 0.00 -0.11 1.61 2.13 -1.26 -4.73 120.64 120.22 2jqn n GLU 68 Ca 0.19 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.88 2jqn n GLU 68 Cb 0.15 -0.68 -0.03 0.00 0.27 0.00 0.00 31.44 31.15 2jqn n GLU 68 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2jqn h ASP 69 N 0.00 0.79 -2.98 4.31 3.32 -1.73 -3.45 116.42 116.69 2jqn h ASP 69 Ca 0.00 -0.43 -0.66 0.00 0.02 0.00 0.00 57.03 55.96 2jqn h ASP 69 Cb 0.00 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 39.24 2jqn h ASP 69 CO 0.00 1.06 -0.55 -0.22 -1.72 0.00 0.00 179.24 177.81 2jqn s LEU 70 N -9.06 4.04 -0.19 1.55 2.96 -1.21 -0.62 118.68 116.15 2jqn s LEU 70 Ca -0.12 0.26 -0.12 0.00 -0.22 0.00 0.00 54.13 53.93 2jqn s LEU 70 Cb 0.09 -2.20 0.06 0.00 0.50 0.00 0.00 46.19 44.64 2jqn s LEU 70 CO 0.83 0.32 0.48 -0.75 -1.32 0.00 0.00 176.35 175.92 2jqn s LYS 71 N -1.45 0.49 -1.39 1.98 2.20 -0.68 -4.95 119.74 115.93 2jqn s LYS 71 Ca 0.20 0.85 -0.12 0.00 -0.36 0.00 0.00 55.97 56.55 2jqn s LYS 71 Cb -0.12 0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 36.22 2jqn s LYS 71 CO 0.10 -0.14 2.52 0.91 -0.36 0.00 0.00 175.35 178.38 2jqn n TRP 72 N 3.97 2.56 -2.72 4.03 7.02 -1.26 -0.20 117.44 130.85 2jqn n TRP 72 Ca -0.21 -2.78 -0.41 0.00 -1.02 0.00 0.00 57.50 53.08 2jqn n TRP 72 Cb 0.56 -2.32 -0.04 0.00 -2.42 0.00 0.00 31.31 27.09 2jqn n TRP 72 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2jqn s GLU 73 N 2.94 4.64 0.17 -0.99 2.12 0.23 -4.22 118.70 123.58 2jqn s GLU 73 Ca 0.57 1.44 -0.09 0.00 0.36 0.00 0.00 54.97 57.25 2jqn s GLU 73 Cb 0.15 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.12 2jqn s GLU 73 CO -0.05 0.10 0.28 0.00 -0.54 0.00 0.00 175.26 175.05 2jqn s ALA 74 N 0.45 0.07 0.41 6.30 0.00 -1.26 -1.69 121.76 126.03 2jqn s ALA 74 Ca 0.49 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.51 2jqn s ALA 74 Cb -0.22 0.90 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 2jqn s ALA 74 CO 0.29 -0.65 0.03 0.43 0.00 0.00 0.00 175.76 175.86 2jqn n SER 75 N -0.22 2.73 0.00 0.00 7.64 -1.26 -4.86 113.62 117.65 2jqn n SER 75 Ca -0.06 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 56.95 2jqn n SER 75 Cb 0.63 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 2jqn n SER 75 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jqn n ARG 76 N -1.00 0.00 0.00 1.43 1.74 -1.26 -3.61 116.66 113.96 2jqn n ARG 76 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2jqn n ARG 76 Cb 0.54 -0.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 2jqn n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jqn n GLY 77 N 0.00 0.88 0.00 -0.13 0.00 -1.26 -5.15 105.19 99.52 2jqn n GLY 77 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 5.46 4.00 -0.02 0.00 -1.24 -5.14 105.19 108.25 2jqn n GLY 78 Ca 0.00 -1.15 0.08 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.00 -1.56 -3.63 4.61 0.00 -1.26 -4.24 120.51 111.42 2jqn n ALA 79 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.52 2jqn n ALA 79 Cb 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 2jqn n ALA 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2jqn s ARG 80 N -1.02 0.78 -0.09 0.00 1.70 -1.26 -4.71 118.95 114.35 2jqn s ARG 80 Ca 0.00 1.09 0.00 0.00 -0.47 0.00 0.00 55.73 56.36 2jqn s ARG 80 Cb 0.00 0.29 0.02 0.00 -0.57 0.00 0.00 34.95 34.70 2jqn s ARG 80 CO 0.00 -0.12 -0.07 -0.06 -1.08 0.00 0.00 175.30 173.97 2jqn s PHE 81 N 0.91 1.22 -0.75 5.89 0.08 -0.68 -4.90 117.98 119.75 2jqn s PHE 81 Ca -0.04 -0.52 -0.26 0.00 0.12 0.00 0.00 56.93 56.23 2jqn s PHE 81 Cb -0.05 -1.04 -0.03 0.00 -0.57 0.00 0.00 43.02 41.33 2jqn s PHE 81 CO -0.08 -0.39 1.91 -1.25 -0.10 0.00 0.00 175.22 175.31 2jqn s PRO 82 N 1.45 2.58 -0.20 0.24 0.04 -1.25 -0.60 135.00 137.26 2jqn s PRO 82 Ca -0.01 0.17 -0.22 0.00 0.04 0.00 0.00 61.00 60.99 2jqn s PRO 82 Cb -0.13 -4.72 -0.02 0.00 0.04 0.00 0.00 34.50 29.66 2jqn s PRO 82 CO -0.04 -3.06 0.67 -1.01 0.04 0.00 0.00 177.00 173.59 2jqn s HIS 83 N 9.63 3.37 -0.37 0.56 3.76 0.72 -0.89 115.29 132.08 2jqn s HIS 83 Ca 0.69 0.97 -0.13 0.00 -0.15 0.00 0.00 55.06 56.45 2jqn s HIS 83 Cb -0.10 -2.84 0.01 0.00 1.11 0.00 0.00 32.58 30.76 2jqn s HIS 83 CO 0.10 -0.20 0.24 -1.17 -0.85 0.00 0.00 174.74 172.86 2jqn s LEU 84 N 2.02 4.71 0.00 0.89 2.96 0.16 -1.69 118.68 127.73 2jqn s LEU 84 Ca 0.30 -0.71 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 2jqn s LEU 84 Cb -0.16 -2.11 0.36 0.00 0.50 0.00 0.00 46.19 44.78 2jqn s LEU 84 CO 0.10 -0.33 1.25 -1.22 -1.32 0.00 0.00 176.35 174.83 2jqn n TYR 85 N 5.09 0.09 -4.26 5.38 4.01 0.21 -3.44 117.16 124.25 2jqn n TYR 85 Ca -0.12 -0.04 -0.30 0.00 -0.16 0.00 0.00 57.90 57.27 2jqn n TYR 85 Cb 0.48 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.42 2jqn n TYR 85 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2jqn s ARG 86 N -1.91 2.34 -0.28 -0.72 1.70 -1.26 -5.01 118.95 113.80 2jqn s ARG 86 Ca 0.12 -0.91 -0.28 0.00 -0.47 0.00 0.00 55.73 54.20 2jqn s ARG 86 Cb 0.06 -2.41 -0.04 0.00 -0.57 0.00 0.00 34.95 31.99 2jqn s ARG 86 CO 0.09 0.54 2.04 -2.14 -1.08 0.00 0.00 175.30 174.75 2jqn s PRO 87 N -2.06 3.17 -0.45 3.89 0.02 -1.26 -4.87 135.00 133.45 2jqn s PRO 87 Ca 0.22 1.73 -0.27 0.00 0.02 0.00 0.00 61.00 62.69 2jqn s PRO 87 Cb -0.11 -4.31 -0.03 0.00 0.02 0.00 0.00 34.50 30.07 2jqn s PRO 87 CO 0.14 -2.05 1.97 -1.17 -0.33 0.00 0.00 177.00 175.55 2jqn s LEU 88 N 7.85 3.41 0.25 -5.54 0.20 0.15 -4.77 118.68 120.24 2jqn s LEU 88 Ca 0.91 0.99 -0.30 0.00 0.69 0.00 0.00 54.13 56.42 2jqn s LEU 88 Cb -0.28 -2.99 -0.09 0.00 -0.43 0.00 0.00 46.19 42.40 2jqn s LEU 88 CO 0.34 -2.18 1.25 -0.76 -0.29 0.00 0.00 176.35 174.71 2jqn s LEU 89 N 8.75 4.45 0.40 -0.68 1.43 -1.26 0.07 118.68 131.85 2jqn s LEU 89 Ca 0.81 2.44 0.09 0.00 -1.03 0.00 0.00 54.13 56.43 2jqn s LEU 89 Cb -0.19 -3.62 0.88 0.00 0.03 0.00 0.00 46.19 43.29 2jqn s LEU 89 CO 0.28 -0.43 1.99 0.58 0.23 0.00 0.00 176.35 179.00 2jqn h VAL 90 N 3.40 0.99 0.00 -1.59 2.07 -1.82 0.10 116.25 119.41 2jqn h VAL 90 Ca -0.46 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2jqn h VAL 90 Cb 1.22 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2jqn h VAL 90 CO 0.71 0.10 0.00 -1.20 0.02 0.00 0.00 177.57 177.21 2jqn n SER 91 N -4.48 0.00 -0.20 0.57 7.64 -1.26 -2.39 113.62 113.50 2jqn n SER 91 Ca 0.08 0.43 0.07 0.00 1.01 0.00 0.00 58.87 60.47 2jqn n SER 91 Cb 0.24 -0.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 2jqn n SER 91 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jqn n GLU 92 N -1.46 1.85 -2.09 1.43 2.13 0.35 -4.94 120.64 117.90 2jqn n GLU 92 Ca 0.04 -0.45 -0.43 0.00 0.66 0.00 0.00 57.16 56.98 2jqn n GLU 92 Cb 0.15 -1.24 -0.03 0.00 0.27 0.00 0.00 31.44 30.60 2jqn n GLU 92 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jqn s VAL 93 N -2.11 3.60 0.13 6.31 1.01 -1.00 -4.91 120.40 123.42 2jqn s VAL 93 Ca 0.10 0.61 -0.31 0.00 0.00 0.00 0.00 61.98 62.38 2jqn s VAL 93 Cb 0.12 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 2jqn s VAL 93 CO 0.49 -0.48 1.57 0.74 0.00 0.00 0.00 175.10 177.42 2jqn h THR 94 N 6.66 0.07 -3.04 3.92 2.02 -1.91 -3.43 112.91 117.21 2jqn h THR 94 Ca -0.32 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.70 2jqn h THR 94 Cb 1.15 0.07 -0.26 0.00 -1.74 0.00 0.00 68.15 67.37 2jqn h THR 94 CO 1.04 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 176.53 2jqn s ARG 95 N -5.79 0.31 -0.29 6.66 1.70 -0.71 -5.03 118.95 115.80 2jqn s ARG 95 Ca -0.15 0.42 -0.13 0.00 -0.47 0.00 0.00 55.73 55.40 2jqn s ARG 95 Cb 0.09 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 2jqn s ARG 95 CO 0.63 -0.06 0.29 -1.83 -1.08 0.00 0.00 175.30 173.25 2jqn s GLU 96 N 0.33 3.88 -0.26 3.89 -1.05 -1.26 -1.80 118.70 122.43 2jqn s GLU 96 Ca -0.01 -0.22 0.02 0.00 -0.15 0.00 0.00 54.97 54.60 2jqn s GLU 96 Cb -0.03 -3.69 0.07 0.00 -0.44 0.00 0.00 34.13 30.03 2jqn s GLU 96 CO -0.01 -0.29 -0.06 0.00 0.95 0.00 0.00 175.26 175.85 2jqn s ALA 97 N 1.92 2.30 -0.04 -0.84 0.00 -0.42 -5.01 121.76 119.67 2jqn s ALA 97 Ca 0.11 -1.67 -0.30 0.00 0.00 0.00 0.00 51.96 50.10 2jqn s ALA 97 Cb -0.16 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 2jqn s ALA 97 CO 0.11 -1.27 1.12 0.16 0.00 0.00 0.00 175.76 175.88 2jqn s ASP 98 N 1.23 7.15 -0.44 0.00 -4.77 -1.26 0.01 116.67 118.58 2jqn s ASP 98 Ca -0.05 1.75 -0.26 0.00 -3.30 0.00 0.00 52.55 50.69 2jqn s ASP 98 Cb -0.19 -2.56 0.02 0.00 -1.09 0.00 0.00 42.92 39.10 2jqn s ASP 98 CO -0.07 -0.49 0.97 -0.76 0.70 0.00 0.00 175.17 175.52 2jqn s LEU 99 N 1.84 3.93 0.09 2.11 1.43 0.38 -4.90 118.68 123.56 2jqn s LEU 99 Ca 0.54 0.30 0.23 0.00 -1.03 0.00 0.00 54.13 54.16 2jqn s LEU 99 Cb -0.23 -3.28 0.91 0.00 0.03 0.00 0.00 46.19 43.62 2jqn s LEU 99 CO 0.23 -1.04 1.71 0.47 0.23 0.00 0.00 176.35 177.95 2jqn n ASP 100 N 7.20 0.27 -0.53 2.29 9.92 -1.26 -4.47 116.55 129.97 2jqn n ASP 100 Ca 0.07 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.88 2jqn n ASP 100 Cb 0.48 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 2jqn n ASP 100 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2jqn n LEU 101 N -1.77 0.00 0.00 0.64 4.77 -1.26 -5.03 117.00 114.34 2jqn n LEU 101 Ca 0.05 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.98 2jqn n LEU 101 Cb 0.28 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2jqn n LEU 101 CO 0.22 -0.89 0.05 -0.67 -1.33 0.00 0.00 177.39 174.77 2jqn n ASP 102 N -1.94 -0.42 0.21 -1.43 2.03 -1.13 -4.63 116.55 109.23 2jqn n ASP 102 Ca 0.00 -1.56 0.13 0.00 0.52 0.00 0.00 54.79 53.88 2jqn n ASP 102 Cb 0.00 0.77 0.73 0.00 -0.72 0.00 0.00 41.12 41.90 2jqn n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jqn h ALA 103 N 1.62 1.98 -0.01 -1.67 0.00 -1.96 0.16 119.26 119.39 2jqn h ALA 103 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jqn h ALA 103 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jqn h ALA 103 CO 0.11 -0.17 -0.16 -0.25 0.00 0.00 0.00 179.25 178.78 2jqn n ASP 104 N -4.27 0.99 0.00 0.00 9.92 -1.26 -4.91 116.55 117.01 2jqn n ASP 104 Ca 0.00 -0.97 0.00 0.00 -0.53 0.00 0.00 54.79 53.29 2jqn n ASP 104 Cb 0.22 0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 2jqn n ASP 104 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jqn n GLY 105 N 1.28 2.24 3.74 0.44 0.00 0.56 -5.02 105.19 108.44 2jqn n GLY 105 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.24 4.90 -0.08 1.61 1.01 -1.26 -4.45 120.40 118.88 2jqn s VAL 106 Ca 0.00 1.42 -0.30 0.00 0.00 0.00 0.00 61.98 63.10 2jqn s VAL 106 Cb 0.00 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 2jqn s VAL 106 CO 0.00 0.35 1.73 -2.16 0.00 0.00 0.00 175.10 175.02 2jqn s PRO 107 N 0.15 4.06 -0.63 2.72 0.04 -1.26 -2.85 135.00 137.22 2jqn s PRO 107 Ca 0.35 2.16 -0.26 0.00 0.04 0.00 0.00 61.00 63.29 2jqn s PRO 107 Cb -0.19 -4.04 -0.05 0.00 0.04 0.00 0.00 34.50 30.26 2jqn s PRO 107 CO 0.19 -1.00 2.07 -0.65 0.04 0.00 0.00 177.00 177.65 2jqn s GLN 108 N 4.33 2.38 -0.02 4.56 -1.52 -1.26 -4.75 119.66 123.39 2jqn s GLN 108 Ca 0.77 0.71 0.21 0.00 -1.95 0.00 0.00 55.36 55.11 2jqn s GLN 108 Cb -0.33 -4.56 -0.29 0.00 -0.22 0.00 0.00 33.01 27.60 2jqn s GLN 108 CO 0.32 -3.11 0.65 1.28 -0.25 0.00 0.00 175.29 174.18 2jqn n LEU 109 N 14.28 0.42 -0.15 2.90 4.32 -1.26 -4.41 117.00 133.10 2jqn n LEU 109 Ca 0.30 -0.21 0.18 0.00 -0.02 0.00 0.00 56.01 56.25 2jqn n LEU 109 Cb 0.52 0.00 0.55 0.00 -1.62 0.00 0.00 43.42 42.86 2jqn n LEU 109 CO 0.68 0.10 1.21 1.23 -1.22 0.00 0.00 177.39 179.40 2jqn h GLY 110 N 4.38 0.57 1.38 -0.72 0.00 -1.91 0.32 103.07 107.09 2jqn h GLY 110 Ca 0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 2jqn h GLY 110 CO 0.00 0.04 -0.30 -1.80 0.00 0.00 0.00 176.54 174.47 2jqn h ASP 111 N 0.32 0.73 0.72 0.19 3.58 -1.97 -3.32 116.42 116.67 2jqn h ASP 111 Ca 0.37 -0.29 -0.26 0.00 0.42 0.00 0.00 57.03 57.27 2jqn h ASP 111 Cb 0.98 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.78 2jqn h ASP 111 CO -0.10 0.98 -1.39 0.45 -2.88 0.00 0.00 179.24 176.31 2jqn h HIS 112 N 0.60 0.01 -3.05 0.28 3.86 -0.79 -3.47 115.15 112.58 2jqn h HIS 112 Ca 0.07 -0.01 -0.45 0.00 -1.16 0.00 0.00 60.37 58.82 2jqn h HIS 112 Cb 0.82 -0.00 0.06 0.00 1.06 0.00 0.00 27.41 29.34 2jqn h HIS 112 CO 0.04 1.01 0.07 -0.51 0.86 0.00 0.00 177.93 179.40 2jqn s LEU 113 N -6.39 3.12 0.00 2.43 1.43 0.70 -5.01 118.68 114.96 2jqn s LEU 113 Ca -0.02 0.22 0.22 0.00 -1.03 0.00 0.00 54.13 53.52 2jqn s LEU 113 Cb 0.09 -3.01 0.55 0.00 0.03 0.00 0.00 46.19 43.84 2jqn s LEU 113 CO 0.82 -1.28 1.47 0.00 0.23 0.00 0.00 176.35 177.60 2jqn n ALA 114 N -2.55 2.38 -2.59 4.21 0.00 -1.26 -4.91 120.51 115.79 2jqn n ALA 114 Ca 0.07 -1.18 -0.42 0.00 0.00 0.00 0.00 53.44 51.91 2jqn n ALA 114 Cb 0.60 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 2jqn n ALA 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jqn s LEU 115 N -1.18 3.48 0.00 0.00 1.02 -1.26 -5.21 118.68 115.53 2jqn s LEU 115 Ca 0.44 0.01 0.18 0.00 0.02 0.00 0.00 54.13 54.78 2jqn s LEU 115 Cb 0.24 -3.08 1.09 0.00 0.02 0.00 0.00 46.19 44.46 2jqn s LEU 115 CO 0.32 -1.49 1.48 -1.84 0.02 0.00 0.00 176.35 174.84