#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 -2.03 3.17 -1.04 -1.26 -4.84 114.28 108.27 2jqn n THR 2 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 2jqn n THR 2 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 2jqn n THR 2 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2jqn s LEU 3 N 0.00 3.24 0.16 -4.42 2.01 -1.26 -0.99 118.68 117.42 2jqn s LEU 3 Ca 0.00 -0.05 -0.10 0.00 0.01 0.00 0.00 54.13 53.99 2jqn s LEU 3 Cb 0.00 -2.54 -0.07 0.00 0.01 0.00 0.00 46.19 43.59 2jqn s LEU 3 CO 0.00 -2.54 0.49 0.27 1.01 0.00 0.00 176.35 175.58 2jqn s ILE 4 N 9.54 4.99 0.09 -0.59 -4.36 -0.11 -4.36 121.20 126.40 2jqn s ILE 4 Ca 0.69 0.50 0.10 0.00 -0.26 0.00 0.00 60.65 61.68 2jqn s ILE 4 Cb -0.10 -3.66 -0.03 0.00 1.25 0.00 0.00 42.46 39.91 2jqn s ILE 4 CO 0.12 0.12 -0.26 -0.31 0.24 0.00 0.00 174.94 174.86 2jqn s TYR 5 N -1.59 2.33 -0.11 1.37 2.02 0.48 -0.89 117.35 120.96 2jqn s TYR 5 Ca 0.40 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 2jqn s TYR 5 Cb -0.13 -1.32 0.02 0.00 -0.40 0.00 0.00 41.96 40.13 2jqn s TYR 5 CO 0.20 0.25 -0.12 0.21 -1.57 0.00 0.00 175.55 174.51 2jqn s LYS 6 N -1.69 1.97 -0.16 -0.62 2.20 -0.50 -0.87 119.74 120.05 2jqn s LYS 6 Ca 0.13 -0.45 -0.13 0.00 -0.36 0.00 0.00 55.97 55.15 2jqn s LYS 6 Cb -0.10 -1.77 -0.05 0.00 -1.51 0.00 0.00 37.83 34.40 2jqn s LYS 6 CO 0.04 -0.14 0.28 0.42 -0.36 0.00 0.00 175.35 175.59 2jqn s ILE 7 N 1.23 5.32 0.29 5.43 1.01 -1.26 -1.32 121.20 131.90 2jqn s ILE 7 Ca -0.02 0.51 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 2jqn s ILE 7 Cb -0.14 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 2jqn s ILE 7 CO -0.04 0.39 0.42 -1.48 0.00 0.00 0.00 174.94 174.23 2jqn s LEU 8 N 0.46 0.84 0.32 2.97 2.34 -0.99 -4.95 118.68 119.66 2jqn s LEU 8 Ca 0.16 -1.31 -0.26 0.00 0.06 0.00 0.00 54.13 52.77 2jqn s LEU 8 Cb -0.13 1.36 -0.10 0.00 -0.56 0.00 0.00 46.19 46.77 2jqn s LEU 8 CO 0.03 -1.17 0.95 -0.55 -1.06 0.00 0.00 176.35 174.55 2jqn s SER 9 N -3.16 7.35 0.21 1.48 0.15 -1.26 -0.00 113.70 118.47 2jqn s SER 9 Ca 0.30 1.86 -0.08 0.00 0.70 0.00 0.00 55.95 58.72 2jqn s SER 9 Cb 0.01 -2.58 0.27 0.00 -1.71 0.00 0.00 66.02 62.01 2jqn s SER 9 CO 0.16 -0.06 1.79 -0.09 1.20 0.00 0.00 173.24 176.24 2jqn h ARG 10 N 3.25 0.62 -0.95 5.44 9.65 -1.39 -1.04 114.38 129.96 2jqn h ARG 10 Ca -0.47 -0.04 0.18 0.00 -1.10 0.00 0.00 59.98 58.55 2jqn h ARG 10 Cb 1.19 -0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 29.55 2jqn h ARG 10 CO 0.65 0.41 0.60 0.00 2.80 0.00 0.00 179.97 184.44 2jqn h ALA 11 N 1.38 1.86 -0.18 2.80 0.00 -1.93 -0.31 119.26 122.88 2jqn h ALA 11 Ca 0.32 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.09 2jqn h ALA 11 Cb 0.26 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jqn h ALA 11 CO -0.22 -0.17 -0.57 0.93 0.00 0.00 0.00 179.25 179.22 2jqn h GLU 12 N 0.66 0.70 -0.04 0.00 5.08 -1.61 -3.15 114.58 116.22 2jqn h GLU 12 Ca 0.51 -0.52 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2jqn h GLU 12 Cb 0.90 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2jqn h GLU 12 CO -0.26 1.14 0.01 2.35 -1.00 0.00 0.00 179.01 181.25 2jqn h TRP 13 N 0.40 0.07 -0.97 4.33 -0.00 -0.44 -1.76 115.95 117.58 2jqn h TRP 13 Ca -0.02 -0.01 0.05 0.00 -0.00 0.00 0.00 58.89 58.91 2jqn h TRP 13 Cb 1.20 -0.02 -0.06 0.00 -0.00 0.00 0.00 29.16 30.28 2jqn h TRP 13 CO 0.09 0.26 0.63 -0.44 -0.00 0.00 0.00 178.44 178.99 2jqn h ASP 14 N -0.15 1.03 0.06 2.65 3.32 -1.23 0.21 116.42 122.31 2jqn h ASP 14 Ca 0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2jqn h ASP 14 Cb 0.23 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2jqn h ASP 14 CO 0.00 0.68 -0.03 0.00 -1.72 0.00 0.00 179.24 178.17 2jqn h ALA 15 N 1.45 -0.08 -0.84 3.45 0.00 -1.48 -0.53 119.26 121.23 2jqn h ALA 15 Ca 0.40 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2jqn h ALA 15 Cb 0.09 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2jqn h ALA 15 CO -0.14 -0.50 0.55 0.00 0.00 0.00 0.00 179.25 179.16 2jqn h ALA 16 N 0.76 1.10 -0.09 0.00 0.00 -0.82 -1.77 119.26 118.45 2jqn h ALA 16 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2jqn h ALA 16 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2jqn h ALA 16 CO 0.01 0.42 -0.12 -0.22 0.00 0.00 0.00 179.25 179.34 2jqn h LYS 17 N 1.09 0.13 -0.40 0.00 3.64 -0.42 0.44 116.57 121.05 2jqn h LYS 17 Ca 0.33 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.54 2jqn h LYS 17 Cb -0.05 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2jqn h LYS 17 CO -0.10 0.26 -0.29 0.00 -2.27 0.00 0.00 179.45 177.06 2jqn h ALA 18 N 1.75 0.58 0.00 5.00 0.00 -0.26 -3.17 119.26 123.15 2jqn h ALA 18 Ca 0.03 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 2jqn h ALA 18 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2jqn h ALA 18 CO 0.02 0.61 -0.84 1.96 0.00 0.00 0.00 179.25 181.00 2jqn h GLN 19 N 0.72 0.04 0.00 0.00 4.20 -0.79 -3.47 115.11 115.81 2jqn h GLN 19 Ca 0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2jqn h GLN 19 Cb 0.87 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.66 2jqn h GLN 19 CO 0.08 0.85 0.00 0.41 -0.67 0.00 0.00 178.83 179.50 2jqn n GLY 20 N 0.85 0.79 2.98 3.46 0.00 0.15 -5.04 105.19 108.37 2jqn n GLY 20 Ca -0.01 0.00 -0.10 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 -0.39 0.25 -0.32 1.61 1.70 -0.87 -1.04 118.95 119.87 2jqn s ARG 21 Ca 0.00 -0.35 0.01 0.00 -0.47 0.00 0.00 55.73 54.92 2jqn s ARG 21 Cb 0.00 0.09 0.10 0.00 -0.57 0.00 0.00 34.95 34.57 2jqn s ARG 21 CO 0.00 -0.04 0.09 0.12 -1.08 0.00 0.00 175.30 174.38 2jqn s PHE 22 N -0.94 2.38 0.83 5.89 5.36 0.66 -4.47 117.98 127.69 2jqn s PHE 22 Ca -0.10 -2.16 -0.11 0.00 -0.96 0.00 0.00 56.93 53.59 2jqn s PHE 22 Cb -0.06 -2.11 0.09 0.00 -0.34 0.00 0.00 43.02 40.60 2jqn s PHE 22 CO -0.00 -0.90 1.09 -1.83 -1.46 0.00 0.00 175.22 172.12 2jqn s GLU 23 N 1.35 1.79 -0.24 10.12 1.03 -1.26 -0.45 118.70 131.04 2jqn s GLU 23 Ca 0.10 0.82 -0.28 0.00 0.03 0.00 0.00 54.97 55.64 2jqn s GLU 23 Cb -0.18 -1.87 -0.04 0.00 -0.80 0.00 0.00 34.13 31.24 2jqn s GLU 23 CO -0.19 -1.87 1.94 0.20 -1.33 0.00 0.00 175.26 174.01 2jqn s GLY 24 N -3.60 0.80 0.77 -3.83 0.00 -1.26 -4.84 107.32 95.36 2jqn s GLY 24 Ca 0.62 0.57 -0.12 0.00 0.00 0.00 0.00 44.72 45.79 2jqn s GLY 24 CO 0.56 3.44 1.12 -0.45 0.00 0.00 0.00 173.10 177.77 2jqn s SER 25 N 6.51 4.28 0.37 1.64 0.15 -1.26 -4.71 113.70 120.69 2jqn s SER 25 Ca 0.87 1.99 0.13 0.00 0.70 0.00 0.00 55.95 59.64 2jqn s SER 25 Cb -0.28 -2.54 0.96 0.00 -1.71 0.00 0.00 66.02 62.44 2jqn s SER 25 CO 0.34 -2.19 1.81 0.00 1.20 0.00 0.00 173.24 174.40 2jqn h ALA 26 N -0.96 2.01 -0.08 5.45 0.00 -1.98 0.27 119.26 123.97 2jqn h ALA 26 Ca -0.44 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jqn h ALA 26 Cb 1.25 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jqn h ALA 26 CO 0.50 -0.36 0.03 0.28 0.00 0.00 0.00 179.25 179.70 2jqn h VAL 27 N 0.54 1.13 -0.32 0.00 2.07 -1.99 0.23 116.25 117.92 2jqn h VAL 27 Ca 0.54 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 2jqn h VAL 27 Cb 1.14 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2jqn h VAL 27 CO -0.28 0.11 0.14 0.44 0.02 0.00 0.00 177.57 178.01 2jqn h ASP 28 N -0.02 0.42 -0.08 0.57 3.32 -1.43 -2.47 116.42 116.74 2jqn h ASP 28 Ca 0.03 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 2jqn h ASP 28 Cb 0.15 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2jqn h ASP 28 CO -0.00 0.45 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.80 2jqn h LEU 29 N 0.37 0.35 -0.98 1.55 3.38 -0.94 0.19 115.31 119.23 2jqn h LEU 29 Ca 0.11 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2jqn h LEU 29 Cb 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2jqn h LEU 29 CO -0.01 0.49 0.08 0.00 0.09 0.00 0.00 178.44 179.09 2jqn h ALA 30 N 1.55 1.17 0.00 1.53 0.00 -0.28 -3.25 119.26 119.98 2jqn h ALA 30 Ca 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2jqn h ALA 30 Cb 0.40 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jqn h ALA 30 CO 0.02 0.56 -0.16 0.22 0.00 0.00 0.00 179.25 179.88 2jqn h ASP 31 N 0.79 0.00 0.00 0.00 3.58 -1.07 -3.49 116.42 116.22 2jqn h ASP 31 Ca 0.17 -0.78 0.00 0.00 0.42 0.00 0.00 57.03 56.84 2jqn h ASP 31 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2jqn h ASP 31 CO 0.01 0.98 0.00 0.61 -2.88 0.00 0.00 179.24 177.96 2jqn n GLY 32 N 1.61 -1.18 2.88 -0.78 0.00 0.56 -4.96 105.19 103.32 2jqn n GLY 32 Ca -0.11 0.44 0.08 0.00 0.00 0.00 0.00 46.02 46.42 2jqn n GLY 32 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jqn n PHE 33 N 0.00 -2.49 -1.65 1.61 3.01 -0.48 -4.67 117.46 112.79 2jqn n PHE 33 Ca 0.00 0.69 -0.38 0.00 1.01 0.00 0.00 57.45 58.77 2jqn n PHE 33 Cb 0.00 -1.23 -0.03 0.00 -0.01 0.00 0.00 39.48 38.21 2jqn n PHE 33 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2jqn s ILE 34 N -1.14 3.07 -0.53 4.37 1.01 -1.05 -4.25 121.20 122.68 2jqn s ILE 34 Ca 0.00 0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.46 2jqn s ILE 34 Cb 0.00 -3.15 0.04 0.00 0.01 0.00 0.00 42.46 39.36 2jqn s ILE 34 CO 0.00 -0.13 0.92 -1.38 0.00 0.00 0.00 174.94 174.35 2jqn s HIS 35 N 10.61 2.83 0.52 3.97 -3.43 -1.26 -0.38 115.29 128.14 2jqn s HIS 35 Ca 0.94 0.02 -0.01 0.00 -0.80 0.00 0.00 55.06 55.21 2jqn s HIS 35 Cb -0.21 -4.02 0.01 0.00 -1.43 0.00 0.00 32.58 26.93 2jqn s HIS 35 CO 0.28 -1.29 0.76 -0.51 -2.00 0.00 0.00 174.74 171.98 2jqn s LEU 36 N 3.85 3.42 -0.03 5.38 1.43 0.04 -4.88 118.68 127.89 2jqn s LEU 36 Ca 0.31 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 2jqn s LEU 36 Cb -0.12 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.96 2jqn s LEU 36 CO 0.20 -0.94 0.10 -0.94 0.23 0.00 0.00 176.35 175.00 2jqn s SER 37 N -4.31 -0.09 0.74 2.29 1.04 -0.05 -3.07 113.70 110.26 2jqn s SER 37 Ca 0.52 0.17 -0.13 0.00 0.48 0.00 0.00 55.95 56.99 2jqn s SER 37 Cb -0.10 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.26 2jqn s SER 37 CO 0.40 -0.05 1.12 0.00 0.98 0.00 0.00 173.24 175.68 2jqn s ALA 38 N -0.03 2.24 0.25 5.32 0.00 -1.26 -0.39 121.76 127.89 2jqn s ALA 38 Ca -0.01 0.47 -0.07 0.00 0.00 0.00 0.00 51.96 52.35 2jqn s ALA 38 Cb -0.01 -3.33 0.45 0.00 0.00 0.00 0.00 23.12 20.23 2jqn s ALA 38 CO 0.00 -1.71 1.61 0.78 0.00 0.00 0.00 175.76 176.45 2jqn h GLY 39 N -0.70 0.81 0.98 0.00 0.00 -1.96 0.24 103.07 102.44 2jqn h GLY 39 Ca -0.45 0.17 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 2jqn h GLY 39 CO 0.51 -0.33 0.01 0.83 0.00 0.00 0.00 176.54 177.57 2jqn h GLU 40 N 0.05 0.80 -0.59 4.80 5.08 -1.97 -2.53 114.58 120.22 2jqn h GLU 40 Ca 0.43 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2jqn h GLU 40 Cb 0.75 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2jqn h GLU 40 CO -0.76 0.85 0.03 1.96 -1.00 0.00 0.00 179.01 180.09 2jqn h GLN 41 N 0.66 1.02 -0.05 2.33 4.20 -1.36 -2.78 115.11 119.12 2jqn h GLN 41 Ca 0.13 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 2jqn h GLN 41 Cb 0.48 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 2jqn h GLN 41 CO 0.02 0.99 0.03 0.00 -0.67 0.00 0.00 178.83 179.20 2jqn h ALA 42 N 0.99 0.07 -0.14 3.87 0.00 -0.57 -1.46 119.26 122.02 2jqn h ALA 42 Ca 0.17 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2jqn h ALA 42 Cb 0.51 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2jqn h ALA 42 CO 0.02 -0.39 -0.06 0.37 0.00 0.00 0.00 179.25 179.20 2jqn h GLN 43 N -0.01 -0.04 0.53 0.00 -0.00 -1.43 0.16 115.11 114.33 2jqn h GLN 43 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.65 2jqn h GLN 43 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.57 2jqn h GLN 43 CO -0.00 -0.02 -0.35 1.49 0.00 0.00 0.00 178.83 179.95 2jqn h GLU 44 N -0.04 -0.81 -0.14 1.69 4.81 -1.44 -1.58 114.58 117.07 2jqn h GLU 44 Ca 0.08 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2jqn h GLU 44 Cb 0.15 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2jqn h GLU 44 CO -0.17 -0.54 0.10 1.15 -0.73 0.00 0.00 179.01 178.82 2jqn h THR 45 N -0.84 1.02 -0.40 0.32 2.02 -1.16 -1.19 112.91 112.68 2jqn h THR 45 Ca -0.06 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 2jqn h THR 45 Cb 0.69 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2jqn h THR 45 CO 0.05 0.03 0.18 0.00 0.37 0.00 0.00 175.52 176.15 2jqn h ALA 46 N 1.91 0.52 -0.23 6.16 0.00 -0.31 0.94 119.26 128.25 2jqn h ALA 46 Ca 0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2jqn h ALA 46 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2jqn h ALA 46 CO -0.01 0.10 -0.18 0.00 0.00 0.00 0.00 179.25 179.16 2jqn h ALA 47 N 1.03 1.26 0.01 0.00 0.00 -0.24 -1.12 119.26 120.19 2jqn h ALA 47 Ca 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jqn h ALA 47 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jqn h ALA 47 CO -0.02 0.49 -0.00 0.87 0.00 0.00 0.00 179.25 180.59 2jqn h LYS 48 N 0.37 -0.01 0.00 0.00 1.57 -1.15 -3.40 116.57 113.95 2jqn h LYS 48 Ca 0.07 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.59 2jqn h LYS 48 Cb 0.53 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 2jqn h LYS 48 CO 0.03 0.58 -1.98 0.91 -0.57 0.00 0.00 179.45 178.43 2jqn n TRP 49 N -4.69 0.00 1.62 -1.35 7.02 0.31 -4.58 117.44 115.77 2jqn n TRP 49 Ca -0.06 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.54 2jqn n TRP 49 Cb 0.29 -0.66 0.56 0.00 -2.42 0.00 0.00 31.31 29.07 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 -3.06 0.07 -1.72 -5.99 3.72 -0.80 -4.89 117.46 104.79 2jqn n PHE 50 Ca -0.31 -0.04 -0.41 0.00 -0.05 0.00 0.00 57.45 56.64 2jqn n PHE 50 Cb 0.82 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 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 -0.22 2.18 0.00 -1.08 1.85 -0.49 -2.28 116.66 116.62 2jqn n ARG 51 Ca 0.18 0.77 0.00 0.00 -1.00 0.00 0.00 57.85 57.80 2jqn n ARG 51 Cb 0.23 -2.44 0.00 0.00 -1.05 0.00 0.00 32.46 29.20 2jqn n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jqn n GLY 52 N 0.70 2.95 3.46 2.89 0.00 -0.21 -4.97 105.19 110.02 2jqn n GLY 52 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.17 3.24 -0.91 1.61 -0.21 -0.96 -4.92 119.66 117.32 2jqn s GLN 53 Ca 0.00 -1.01 -0.02 0.00 0.02 0.00 0.00 55.36 54.35 2jqn s GLN 53 Cb 0.00 -4.43 0.32 0.00 1.00 0.00 0.00 33.01 29.90 2jqn s GLN 53 CO 0.00 -1.85 2.01 0.00 -2.12 0.00 0.00 175.29 173.33 2jqn n ALA 54 N 7.62 6.37 -2.44 6.09 0.00 -1.26 -4.26 120.51 132.62 2jqn n ALA 54 Ca 0.04 -4.25 -0.03 0.00 0.00 0.00 0.00 53.44 49.20 2jqn n ALA 54 Cb 0.47 -2.11 0.06 0.00 0.00 0.00 0.00 19.45 17.87 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 -0.21 -1.14 -4.93 0.00 0.23 -1.26 -4.99 115.26 102.97 2jqn n ASN 55 Ca 0.51 -2.13 -0.27 0.00 -0.53 0.00 0.00 54.58 52.16 2jqn n ASN 55 Cb 0.26 0.49 -0.03 0.00 -2.08 0.00 0.00 39.78 38.42 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 -2.62 4.17 -0.08 -4.53 1.43 -1.21 -1.05 118.68 114.78 2jqn s LEU 56 Ca 0.07 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 2jqn s LEU 56 Cb 0.29 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 43.26 2jqn s LEU 56 CO -0.08 -0.11 -0.19 -0.69 0.23 0.00 0.00 176.35 175.51 2jqn s VAL 57 N -1.97 1.66 -0.50 -1.59 1.01 0.99 -1.04 120.40 118.97 2jqn s VAL 57 Ca 0.40 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 2jqn s VAL 57 Cb -0.11 -1.46 0.08 0.00 0.00 0.00 0.00 36.38 34.90 2jqn s VAL 57 CO 0.30 0.47 0.49 -0.22 0.00 0.00 0.00 175.10 176.14 2jqn s LEU 58 N 0.45 5.57 -0.37 3.92 2.96 0.57 -2.35 118.68 129.43 2jqn s LEU 58 Ca -0.16 -1.33 -0.24 0.00 -0.22 0.00 0.00 54.13 52.18 2jqn s LEU 58 Cb -0.17 -2.25 0.01 0.00 0.50 0.00 0.00 46.19 44.28 2jqn s LEU 58 CO 0.07 -0.77 0.81 -0.76 -1.32 0.00 0.00 176.35 174.37 2jqn s LEU 59 N 1.92 4.11 -0.22 -0.68 1.43 -0.44 -1.23 118.68 123.57 2jqn s LEU 59 Ca 0.07 0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 53.38 2jqn s LEU 59 Cb -0.24 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 2jqn s LEU 59 CO 0.07 -0.78 0.31 0.00 0.23 0.00 0.00 176.35 176.19 2jqn s ALA 60 N 3.19 3.58 -0.07 4.21 0.00 0.06 -1.42 121.76 131.32 2jqn s ALA 60 Ca 0.32 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.63 2jqn s ALA 60 Cb -0.13 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2jqn s ALA 60 CO 0.18 -0.31 -0.18 0.08 0.00 0.00 0.00 175.76 175.52 2jqn s VAL 61 N 1.33 1.57 -1.48 0.00 1.01 -0.07 -1.96 120.40 120.80 2jqn s VAL 61 Ca 0.14 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 2jqn s VAL 61 Cb -0.14 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 2jqn s VAL 61 CO 0.07 0.45 2.48 -0.62 0.00 0.00 0.00 175.10 177.48 2jqn n GLU 62 N 3.46 3.09 0.00 2.72 1.02 -1.26 -0.93 120.64 128.73 2jqn n GLU 62 Ca -0.20 -2.39 0.00 0.00 -0.02 0.00 0.00 57.16 54.55 2jqn n GLU 62 Cb 0.52 -3.08 0.00 0.00 -0.02 0.00 0.00 31.44 28.87 2jqn n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jqn n ALA 63 N 5.19 0.00 -0.65 0.62 0.00 -0.16 -4.86 120.51 120.65 2jqn n ALA 63 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2jqn n ALA 63 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 0.00 -1.82 0.00 0.00 -0.58 -1.26 -4.72 120.64 112.25 2jqn n GLU 64 Ca 0.00 1.33 0.00 0.00 -0.42 0.00 0.00 57.16 58.07 2jqn n GLU 64 Cb 0.00 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 2jqn n GLU 64 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jqn n PRO 65 N -0.36 0.52 -2.00 3.49 -0.02 -1.26 -4.48 135.00 130.89 2jqn n PRO 65 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 2jqn n PRO 65 Cb 0.00 -1.25 -0.01 0.00 -0.02 0.00 0.00 33.50 32.23 2jqn n PRO 65 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2jqn n LEU 66 N 0.55 7.93 0.05 2.45 -0.00 -1.26 -4.74 117.00 121.98 2jqn n LEU 66 Ca 0.00 -4.87 0.03 0.00 -0.00 0.00 0.00 56.01 51.17 2jqn n LEU 66 Cb 0.21 -1.34 0.17 0.00 -0.00 0.00 0.00 43.42 42.46 2jqn n LEU 66 CO 0.00 2.04 0.60 0.61 -0.00 0.00 0.00 177.39 180.65 2jqn n GLY 67 N 1.56 -0.58 0.28 1.47 0.00 -1.26 -1.13 105.19 105.53 2jqn n GLY 67 Ca 0.61 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.62 2jqn n GLY 67 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2jqn h GLU 68 N 0.00 0.94 0.00 1.61 4.11 -1.97 -3.35 114.58 115.91 2jqn h GLU 68 Ca 0.00 -0.15 -0.27 0.00 0.07 0.00 0.00 59.36 59.01 2jqn h GLU 68 Cb 0.07 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 2jqn h GLU 68 CO 0.00 0.77 -2.01 -0.25 0.07 0.00 0.00 179.01 177.59 2jqn n ASP 69 N -4.46 1.51 -4.26 3.06 8.00 -0.46 -4.85 116.55 115.09 2jqn n ASP 69 Ca 0.04 -0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 2jqn n ASP 69 Cb 0.15 0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 41.92 2jqn n ASP 69 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jqn s LEU 70 N -5.17 5.65 -0.18 0.64 2.96 -0.29 -0.98 118.68 121.32 2jqn s LEU 70 Ca -0.09 -1.72 -0.02 0.00 -0.22 0.00 0.00 54.13 52.08 2jqn s LEU 70 Cb 0.05 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2jqn s LEU 70 CO 0.58 -0.68 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.29 2jqn s LYS 71 N 1.46 3.32 -1.19 1.98 1.02 -0.59 -3.98 119.74 121.75 2jqn s LYS 71 Ca 0.04 -0.68 -0.23 0.00 0.02 0.00 0.00 55.97 55.13 2jqn s LYS 71 Cb -0.26 -2.79 -0.09 0.00 -0.52 0.00 0.00 37.83 34.18 2jqn s LYS 71 CO 0.02 -0.03 1.93 -1.58 -0.92 0.00 0.00 175.35 174.76 2jqn s TRP 72 N 0.99 1.97 -0.14 3.18 0.52 -1.26 -0.06 118.94 124.14 2jqn s TRP 72 Ca -0.01 0.42 -0.07 0.00 0.02 0.00 0.00 56.10 56.46 2jqn s TRP 72 Cb -0.15 -4.01 -0.04 0.00 -1.15 0.00 0.00 33.47 28.12 2jqn s TRP 72 CO -0.01 -1.20 0.13 -2.00 0.02 0.00 0.00 176.95 173.88 2jqn s GLU 73 N 6.42 3.60 -0.82 4.98 2.56 -0.11 -4.62 118.70 130.72 2jqn s GLU 73 Ca 0.68 -0.17 -0.25 0.00 0.00 0.00 0.00 54.97 55.23 2jqn s GLU 73 Cb -0.01 -3.22 0.00 0.00 2.00 0.00 0.00 34.13 32.91 2jqn s GLU 73 CO 0.13 0.65 1.64 0.00 -0.56 0.00 0.00 175.26 177.12 2jqn s ALA 74 N -0.66 2.32 0.43 6.30 0.00 -1.25 -0.40 121.76 128.50 2jqn s ALA 74 Ca 0.13 -1.44 -0.23 0.00 0.00 0.00 0.00 51.96 50.42 2jqn s ALA 74 Cb -0.12 -4.41 -0.08 0.00 0.00 0.00 0.00 23.12 18.51 2jqn s ALA 74 CO 0.02 -3.91 1.10 0.45 0.00 0.00 0.00 175.76 173.42 2jqn s SER 75 N 6.24 6.47 -1.91 0.00 0.15 -0.73 -3.30 113.70 120.62 2jqn s SER 75 Ca 0.55 2.15 0.00 0.00 0.70 0.00 0.00 55.95 59.35 2jqn s SER 75 Cb -0.07 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2jqn s SER 75 CO 0.06 -0.70 0.00 0.54 1.20 0.00 0.00 173.24 174.34 2jqn n ARG 76 N -0.31 -1.41 -3.38 5.44 1.74 -1.26 -1.55 116.66 115.93 2jqn n ARG 76 Ca 0.06 1.06 -0.19 0.00 -0.77 0.00 0.00 57.85 58.02 2jqn n ARG 76 Cb 0.49 -5.41 0.07 0.00 -1.02 0.00 0.00 32.46 26.59 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 -0.35 -0.30 0.00 -0.13 0.00 -1.21 -4.94 105.19 98.26 2jqn n GLY 77 Ca -0.18 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.63 1.63 3.79 -0.02 0.00 -0.60 -5.12 105.19 103.23 2jqn n GLY 78 Ca -0.05 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.85 3.19 -0.79 4.61 0.00 -1.25 -4.75 121.76 120.92 2jqn s ALA 79 Ca 0.00 0.50 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 2jqn s ALA 79 Cb 0.00 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 20.03 2jqn s ALA 79 CO 0.00 0.17 1.11 1.03 0.00 0.00 0.00 175.76 178.08 2jqn s ARG 80 N -2.20 3.31 -0.15 0.00 3.00 -1.26 -1.77 118.95 119.89 2jqn s ARG 80 Ca 0.52 -1.04 -0.16 0.00 0.00 0.00 0.00 55.73 55.04 2jqn s ARG 80 Cb -0.17 -4.56 -0.04 0.00 0.00 0.00 0.00 34.95 30.18 2jqn s ARG 80 CO 0.22 -1.90 0.40 -0.06 0.00 0.00 0.00 175.30 173.96 2jqn s PHE 81 N 4.04 3.47 -0.54 -0.53 0.08 0.47 -4.58 117.98 120.39 2jqn s PHE 81 Ca 0.30 0.74 -0.26 0.00 0.12 0.00 0.00 56.93 57.83 2jqn s PHE 81 Cb -0.10 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.82 2jqn s PHE 81 CO 0.03 0.16 2.14 -1.25 -0.10 0.00 0.00 175.22 176.20 2jqn s PRO 82 N 0.71 2.38 -0.17 0.24 0.04 -1.17 -0.93 135.00 136.08 2jqn s PRO 82 Ca 0.22 1.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.14 2jqn s PRO 82 Cb -0.14 -4.48 -0.04 0.00 0.04 0.00 0.00 34.50 29.87 2jqn s PRO 82 CO 0.08 -2.99 0.43 -1.01 0.04 0.00 0.00 177.00 173.55 2jqn s HIS 83 N 10.63 3.42 -0.33 0.56 3.76 0.91 -0.78 115.29 133.46 2jqn s HIS 83 Ca 0.83 0.72 -0.19 0.00 -0.15 0.00 0.00 55.06 56.27 2jqn s HIS 83 Cb -0.15 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 30.99 2jqn s HIS 83 CO 0.24 0.05 0.55 -1.17 -0.85 0.00 0.00 174.74 173.56 2jqn s LEU 84 N 1.09 4.25 -0.06 0.89 2.96 0.49 -1.54 118.68 126.77 2jqn s LEU 84 Ca 0.22 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 2jqn s LEU 84 Cb -0.15 -2.66 0.17 0.00 0.50 0.00 0.00 46.19 44.05 2jqn s LEU 84 CO 0.08 -0.47 0.86 -1.22 -1.32 0.00 0.00 176.35 174.29 2jqn n TYR 85 N 5.79 0.49 -3.76 5.38 4.02 -0.15 -2.52 117.16 126.41 2jqn n TYR 85 Ca -0.04 -0.30 -0.11 0.00 -0.01 0.00 0.00 57.90 57.45 2jqn n TYR 85 Cb 0.49 -0.24 -0.07 0.00 -0.02 0.00 0.00 39.34 39.50 2jqn n TYR 85 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 2jqn s ARG 86 N -1.22 0.86 0.32 -0.72 1.70 -1.26 -5.03 118.95 113.60 2jqn s ARG 86 Ca 0.12 -0.65 -0.27 0.00 -0.47 0.00 0.00 55.73 54.46 2jqn s ARG 86 Cb 0.09 0.37 -0.13 0.00 -0.57 0.00 0.00 34.95 34.70 2jqn s ARG 86 CO 0.03 -0.29 0.98 -2.30 -1.08 0.00 0.00 175.30 172.65 2jqn n PRO 87 N 0.30 1.31 -2.91 3.89 -0.02 -1.26 -4.86 135.00 131.45 2jqn n PRO 87 Ca -0.17 0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 61.33 2jqn n PRO 87 Cb 0.61 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 32.19 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 0.36 4.68 0.17 2.45 2.96 0.41 -4.92 118.68 124.79 2jqn s LEU 88 Ca 0.59 -1.26 -0.31 0.00 -0.22 0.00 0.00 54.13 52.93 2jqn s LEU 88 Cb -0.67 -2.40 -0.09 0.00 0.50 0.00 0.00 46.19 43.54 2jqn s LEU 88 CO 0.59 -1.32 1.37 -0.76 -1.32 0.00 0.00 176.35 174.92 2jqn s LEU 89 N 3.58 4.39 0.27 -0.68 1.43 -1.26 -0.25 118.68 126.16 2jqn s LEU 89 Ca 0.22 2.42 -0.04 0.00 -1.03 0.00 0.00 54.13 55.70 2jqn s LEU 89 Cb -0.16 -3.60 0.35 0.00 0.03 0.00 0.00 46.19 42.81 2jqn s LEU 89 CO 0.06 -0.61 1.94 0.58 0.23 0.00 0.00 176.35 178.54 2jqn h VAL 90 N 3.92 1.22 0.00 -1.59 2.07 -1.40 -0.29 116.25 120.18 2jqn h VAL 90 Ca -0.44 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2jqn h VAL 90 Cb 1.21 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2jqn h VAL 90 CO 0.82 0.23 0.00 -1.20 0.02 0.00 0.00 177.57 177.43 2jqn n SER 91 N -4.40 0.00 0.01 0.57 7.64 -1.26 -2.05 113.62 114.14 2jqn n SER 91 Ca 0.11 0.40 -0.05 0.00 1.01 0.00 0.00 58.87 60.35 2jqn n SER 91 Cb 0.04 -0.45 -0.11 0.00 -1.01 0.00 0.00 64.21 62.68 2jqn n SER 91 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2jqn h GLU 92 N 0.00 0.00 -6.96 1.43 4.57 -1.40 -3.47 114.58 108.75 2jqn h GLU 92 Ca 0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 2jqn h GLU 92 Cb 0.19 0.00 0.08 0.00 -0.16 0.00 0.00 28.75 28.86 2jqn h GLU 92 CO 0.00 0.46 0.59 0.08 -1.18 0.00 0.00 179.01 178.96 2jqn s VAL 93 N -2.75 2.69 -0.03 0.32 1.01 -0.87 -4.95 120.40 115.83 2jqn s VAL 93 Ca -0.03 0.60 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 2jqn s VAL 93 Cb 0.08 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2jqn s VAL 93 CO 0.82 0.07 0.38 0.74 0.00 0.00 0.00 175.10 177.11 2jqn h THR 94 N 2.33 0.00 -3.71 3.92 2.02 -1.71 -3.49 112.91 112.26 2jqn h THR 94 Ca -0.50 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.26 2jqn h THR 94 Cb 1.25 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.52 2jqn h THR 94 CO 0.62 0.00 -0.32 -0.13 0.37 0.00 0.00 175.52 176.06 2jqn s ARG 95 N -2.22 0.87 0.29 6.66 0.52 -1.03 -5.03 118.95 119.00 2jqn s ARG 95 Ca -0.03 -0.89 0.08 0.00 -0.52 0.00 0.00 55.73 54.38 2jqn s ARG 95 Cb 0.00 0.36 -0.04 0.00 0.52 0.00 0.00 34.95 35.79 2jqn s ARG 95 CO 0.09 -0.29 0.11 -1.83 0.02 0.00 0.00 175.30 173.40 2jqn s GLU 96 N -3.74 2.50 -0.27 3.54 -1.05 -1.26 -0.76 118.70 117.66 2jqn s GLU 96 Ca 0.04 -1.37 -0.01 0.00 -0.15 0.00 0.00 54.97 53.48 2jqn s GLU 96 Cb 0.04 -2.28 0.15 0.00 -0.44 0.00 0.00 34.13 31.60 2jqn s GLU 96 CO -0.11 0.27 0.45 0.00 0.95 0.00 0.00 175.26 176.82 2jqn s ALA 97 N -2.31 -1.45 0.04 -0.84 0.00 -0.36 -4.95 121.76 111.88 2jqn s ALA 97 Ca 0.35 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 53.02 2jqn s ALA 97 Cb -0.05 -1.90 -0.09 0.00 0.00 0.00 0.00 23.12 21.07 2jqn s ALA 97 CO 0.22 -1.39 1.97 -0.51 0.00 0.00 0.00 175.76 176.05 2jqn s ASP 98 N 2.63 6.45 -0.12 0.00 1.01 -1.26 -0.31 116.67 125.07 2jqn s ASP 98 Ca 0.14 2.68 -0.01 0.00 0.71 0.00 0.00 52.55 56.07 2jqn s ASP 98 Cb -0.15 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 2jqn s ASP 98 CO -0.20 -1.06 -0.08 -0.22 0.21 0.00 0.00 175.17 173.82 2jqn s LEU 99 N 4.43 3.03 0.00 1.23 1.98 -0.20 -4.92 118.68 124.24 2jqn s LEU 99 Ca 0.88 -0.17 0.02 0.00 -2.89 0.00 0.00 54.13 51.97 2jqn s LEU 99 Cb -0.43 -1.69 -0.01 0.00 0.66 0.00 0.00 46.19 44.72 2jqn s LEU 99 CO 0.42 0.22 0.06 -0.67 -1.89 0.00 0.00 176.35 174.49 2jqn n ASP 100 N 3.15 2.50 -4.96 3.68 2.03 -1.26 -3.31 116.55 118.37 2jqn n ASP 100 Ca -0.18 -3.14 -0.22 0.00 0.52 0.00 0.00 54.79 51.78 2jqn n ASP 100 Cb 0.53 0.61 0.01 0.00 -0.72 0.00 0.00 41.12 41.55 2jqn n ASP 100 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2jqn s LEU 101 N 0.00 3.64 0.00 -2.67 1.43 -1.26 -2.33 118.68 117.49 2jqn s LEU 101 Ca 0.08 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2jqn s LEU 101 Cb 0.00 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.20 2jqn s LEU 101 CO 0.06 -0.73 0.00 -0.90 0.23 0.00 0.00 176.35 175.00 2jqn n ASP 102 N -2.04 0.63 0.20 2.29 5.75 -0.53 -4.76 116.55 118.08 2jqn n ASP 102 Ca 0.02 -0.30 0.09 0.00 -0.01 0.00 0.00 54.79 54.59 2jqn n ASP 102 Cb 0.58 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 41.29 2jqn n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jqn h ALA 103 N -0.06 2.00 -0.01 2.12 0.00 -2.01 -1.17 119.26 120.13 2jqn h ALA 103 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jqn h ALA 103 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jqn h ALA 103 CO 0.00 -0.02 -0.16 -0.25 0.00 0.00 0.00 179.25 178.82 2jqn n ASP 104 N -4.52 1.14 0.00 0.00 8.00 -1.26 -4.92 116.55 114.99 2jqn n ASP 104 Ca -0.01 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2jqn n ASP 104 Cb 0.13 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 2jqn n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jqn n GLY 105 N 1.28 0.41 3.85 0.44 0.00 -0.44 -4.95 105.19 105.77 2jqn n GLY 105 Ca 0.15 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 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 5.47 -0.65 1.61 1.01 -1.26 -1.05 120.40 123.53 2jqn s VAL 106 Ca 0.00 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 2jqn s VAL 106 Cb 0.00 -3.42 -0.13 0.00 0.00 0.00 0.00 36.38 32.83 2jqn s VAL 106 CO 0.00 0.58 2.49 -2.65 0.00 0.00 0.00 175.10 175.52 2jqn n PRO 107 N 2.32 0.68 -2.54 2.72 -0.02 -1.26 -1.46 135.00 135.44 2jqn n PRO 107 Ca -0.19 0.04 -0.41 0.00 -2.02 0.00 0.00 63.50 60.91 2jqn n PRO 107 Cb 0.54 -2.63 -0.01 0.00 -0.02 0.00 0.00 33.50 31.38 2jqn n PRO 107 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2jqn s GLN 108 N 8.28 3.78 0.14 -0.52 2.00 -0.98 -4.65 119.66 127.71 2jqn s GLN 108 Ca 1.13 -1.70 0.26 0.00 -2.00 0.00 0.00 55.36 53.05 2jqn s GLN 108 Cb -0.65 -5.47 0.65 0.00 0.80 0.00 0.00 33.01 28.34 2jqn s GLN 108 CO 0.37 -2.36 1.59 1.28 -0.50 0.00 0.00 175.29 175.67 2jqn n LEU 109 N 8.95 0.67 -0.32 3.68 4.32 -1.26 -3.52 117.00 129.52 2jqn n LEU 109 Ca 0.44 0.39 0.01 0.00 -0.02 0.00 0.00 56.01 56.84 2jqn n LEU 109 Cb 0.47 -0.28 0.15 0.00 -1.62 0.00 0.00 43.42 42.14 2jqn n LEU 109 CO 0.73 -0.09 1.20 1.23 -1.22 0.00 0.00 177.39 179.24 2jqn h GLY 110 N 4.60 1.33 1.68 -0.72 0.00 -1.90 0.45 103.07 108.50 2jqn h GLY 110 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 46.72 2jqn h GLY 110 CO 0.00 0.27 -1.14 -0.55 0.00 0.00 0.00 176.54 175.12 2jqn h ASP 111 N 1.00 0.00 1.52 0.19 5.19 -1.98 -3.32 116.42 119.03 2jqn h ASP 111 Ca 0.38 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.77 2jqn h ASP 111 Cb 0.17 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 2jqn h ASP 111 CO -0.17 0.91 -0.09 -0.74 -3.12 0.00 0.00 179.24 176.03 2jqn h HIS 112 N 0.00 0.00 -4.28 4.55 2.76 -1.44 -3.46 115.15 113.28 2jqn h HIS 112 Ca -0.09 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 57.97 2jqn h HIS 112 Cb 1.77 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.72 2jqn h HIS 112 CO 0.00 0.09 -0.06 1.28 -1.30 0.00 0.00 177.93 177.93 2jqn n LEU 113 N -3.15 0.00 -0.58 0.26 4.77 0.15 -5.02 117.00 113.43 2jqn n LEU 113 Ca 0.02 -0.55 0.01 0.00 -0.03 0.00 0.00 56.01 55.47 2jqn n LEU 113 Cb 0.48 0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.65 2jqn n LEU 113 CO 0.33 -0.23 0.41 0.00 -1.33 0.00 0.00 177.39 176.57 2jqn n ALA 114 N -2.76 2.66 0.31 -1.18 0.00 -1.26 -4.13 120.51 114.15 2jqn n ALA 114 Ca -0.03 -0.29 0.20 0.00 0.00 0.00 0.00 53.44 53.31 2jqn n ALA 114 Cb 0.12 -1.01 0.98 0.00 0.00 0.00 0.00 19.45 19.53 2jqn n ALA 114 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jqn h LEU 115 N 0.70 0.00 0.00 0.00 4.07 -1.87 -3.52 115.31 114.69 2jqn h LEU 115 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jqn h LEU 115 Cb 0.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.31 2jqn h LEU 115 CO 0.06 0.00 0.00 1.21 -1.08 0.00 0.00 178.44 178.63