#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 1.65 -0.15 2.03 -4.23 -1.26 -5.08 115.64 108.60 2jqn s THR 2 Ca 0.00 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 2jqn s THR 2 Cb 0.00 -1.38 0.01 0.00 1.34 0.00 0.00 72.50 72.46 2jqn s THR 2 CO 0.00 0.47 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.14 2jqn s LEU 3 N -0.31 2.30 0.09 4.79 0.20 -1.26 -1.67 118.68 122.83 2jqn s LEU 3 Ca 0.03 -0.54 -0.05 0.00 0.69 0.00 0.00 54.13 54.26 2jqn s LEU 3 Cb -0.10 -1.51 -0.05 0.00 -0.43 0.00 0.00 46.19 44.10 2jqn s LEU 3 CO 0.01 0.07 0.33 0.27 -0.29 0.00 0.00 176.35 176.73 2jqn s ILE 4 N 0.88 5.23 -0.29 6.68 -4.36 -0.65 -4.56 121.20 124.13 2jqn s ILE 4 Ca -0.05 0.03 0.01 0.00 -0.26 0.00 0.00 60.65 60.38 2jqn s ILE 4 Cb -0.15 -3.61 0.09 0.00 1.25 0.00 0.00 42.46 40.03 2jqn s ILE 4 CO -0.02 0.15 0.04 -0.31 0.24 0.00 0.00 174.94 175.04 2jqn s TYR 5 N -1.53 2.48 -0.45 1.37 1.51 -0.49 -2.08 117.35 118.16 2jqn s TYR 5 Ca 0.36 -2.08 -0.22 0.00 -1.01 0.00 0.00 57.07 54.12 2jqn s TYR 5 Cb -0.13 -2.01 0.03 0.00 -0.11 0.00 0.00 41.96 39.74 2jqn s TYR 5 CO 0.23 -0.86 0.73 0.21 -1.11 0.00 0.00 175.55 174.75 2jqn s LYS 6 N 1.35 3.33 0.03 -0.62 2.47 -0.29 -4.44 119.74 121.58 2jqn s LYS 6 Ca 0.05 -0.26 -0.20 0.00 -1.56 0.00 0.00 55.97 54.00 2jqn s LYS 6 Cb -0.18 -3.96 -0.06 0.00 -1.46 0.00 0.00 37.83 32.17 2jqn s LYS 6 CO -0.14 -1.10 0.59 0.42 0.16 0.00 0.00 175.35 175.27 2jqn s ILE 7 N 3.11 4.83 0.17 5.43 1.01 -1.26 -0.92 121.20 133.57 2jqn s ILE 7 Ca 0.26 1.25 -0.24 0.00 0.00 0.00 0.00 60.65 61.92 2jqn s ILE 7 Cb -0.13 -3.93 0.06 0.00 0.01 0.00 0.00 42.46 38.47 2jqn s ILE 7 CO 0.20 0.47 0.95 -1.48 0.00 0.00 0.00 174.94 175.08 2jqn s LEU 8 N -0.56 -0.16 0.38 2.97 2.34 -0.87 -4.99 118.68 117.78 2jqn s LEU 8 Ca 0.30 -0.47 -0.22 0.00 0.06 0.00 0.00 54.13 53.81 2jqn s LEU 8 Cb -0.19 2.21 -0.10 0.00 -0.56 0.00 0.00 46.19 47.55 2jqn s LEU 8 CO 0.18 -0.97 0.91 -0.44 -1.06 0.00 0.00 176.35 174.98 2jqn s SER 9 N -2.99 7.04 0.34 1.48 0.01 -1.26 -0.10 113.70 118.21 2jqn s SER 9 Ca 0.13 1.67 0.03 0.00 1.31 0.00 0.00 55.95 59.10 2jqn s SER 9 Cb -0.02 -2.53 0.64 0.00 0.21 0.00 0.00 66.02 64.33 2jqn s SER 9 CO 0.03 -0.24 1.96 -0.09 0.41 0.00 0.00 173.24 175.31 2jqn h ARG 10 N 2.38 0.85 0.00 12.44 9.65 -0.08 0.68 114.38 140.30 2jqn h ARG 10 Ca -0.48 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.33 2jqn h ARG 10 Cb 1.18 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 29.57 2jqn h ARG 10 CO 0.63 0.56 -0.07 0.00 2.80 0.00 0.00 179.97 183.89 2jqn h ALA 11 N 1.57 1.07 0.01 2.80 0.00 -1.93 0.23 119.26 123.00 2jqn h ALA 11 Ca 0.32 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2jqn h ALA 11 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jqn h ALA 11 CO -0.10 0.09 -0.00 1.49 0.00 0.00 0.00 179.25 180.73 2jqn h GLU 12 N 0.00 -0.01 0.69 0.00 4.81 -1.30 -3.15 114.58 115.61 2jqn h GLU 12 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2jqn h GLU 12 Cb 0.44 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.83 2jqn h GLU 12 CO 0.01 0.79 -0.33 2.35 -0.73 0.00 0.00 179.01 181.10 2jqn h TRP 13 N -0.97 -0.86 0.00 0.92 -0.00 -1.07 -2.68 115.95 111.29 2jqn h TRP 13 Ca -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.86 2jqn h TRP 13 Cb 0.80 0.28 -0.00 0.00 -0.00 0.00 0.00 29.16 30.25 2jqn h TRP 13 CO 0.22 -0.53 -0.02 -0.44 -0.00 0.00 0.00 178.44 177.67 2jqn h ASP 14 N -1.09 0.00 -0.34 2.65 5.19 -0.77 0.62 116.42 122.68 2jqn h ASP 14 Ca -0.09 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.26 2jqn h ASP 14 Cb 0.71 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.21 2jqn h ASP 14 CO 0.15 0.02 0.00 0.00 -3.12 0.00 0.00 179.24 176.30 2jqn h ALA 15 N 1.98 0.46 0.00 3.45 0.00 -1.56 -0.32 119.26 123.27 2jqn h ALA 15 Ca -0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2jqn h ALA 15 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jqn h ALA 15 CO 0.00 0.22 -0.46 0.00 0.00 0.00 0.00 179.25 179.02 2jqn h ALA 16 N 0.86 1.03 -0.45 0.00 0.00 -0.68 -2.32 119.26 117.70 2jqn h ALA 16 Ca 0.10 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2jqn h ALA 16 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2jqn h ALA 16 CO 0.02 0.57 0.01 -0.22 0.00 0.00 0.00 179.25 179.63 2jqn h LYS 17 N 0.00 0.78 -0.75 0.00 3.64 0.38 0.73 116.57 121.36 2jqn h LYS 17 Ca -0.00 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 2jqn h LYS 17 Cb 0.94 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 2jqn h LYS 17 CO 0.06 0.84 0.23 0.00 -2.27 0.00 0.00 179.45 178.30 2jqn h ALA 18 N 0.91 0.99 0.00 5.00 0.00 -1.00 -2.06 119.26 123.11 2jqn h ALA 18 Ca 0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2jqn h ALA 18 Cb 0.47 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jqn h ALA 18 CO 0.02 0.67 -0.25 1.96 0.00 0.00 0.00 179.25 181.65 2jqn h GLN 19 N 1.12 0.00 0.00 0.00 4.20 -1.05 -3.46 115.11 115.91 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 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2jqn h GLN 19 CO -0.01 0.25 0.00 0.41 -0.67 0.00 0.00 178.83 178.81 2jqn n GLY 20 N -0.65 0.38 2.97 3.46 0.00 0.24 -4.99 105.19 106.60 2jqn n GLY 20 Ca -0.02 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 -1.60 0.00 0.00 0.00 173.32 171.72 2jqn s ARG 21 N -0.54 0.33 -0.46 1.61 3.52 -0.22 -2.37 118.95 120.81 2jqn s ARG 21 Ca 0.00 0.62 -0.22 0.00 -0.13 0.00 0.00 55.73 56.00 2jqn s ARG 21 Cb 0.00 -0.35 0.03 0.00 -1.56 0.00 0.00 34.95 33.07 2jqn s ARG 21 CO 0.00 -0.56 0.74 0.12 -0.81 0.00 0.00 175.30 174.80 2jqn s PHE 22 N 2.54 3.00 -1.37 5.12 5.36 0.81 -4.71 117.98 128.73 2jqn s PHE 22 Ca 0.09 0.01 0.24 0.00 -0.96 0.00 0.00 56.93 56.32 2jqn s PHE 22 Cb -0.15 -3.59 0.32 0.00 -0.34 0.00 0.00 43.02 39.26 2jqn s PHE 22 CO -0.15 -0.99 1.28 -1.91 -1.46 0.00 0.00 175.22 172.00 2jqn n GLU 23 N 6.60 0.42 0.00 10.12 2.13 -1.26 0.16 120.64 138.80 2jqn n GLU 23 Ca 0.00 -0.29 0.00 0.00 0.66 0.00 0.00 57.16 57.53 2jqn n GLU 23 Cb 0.48 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.69 2jqn n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jqn n GLY 24 N 1.44 -1.33 1.91 8.31 0.00 -1.26 -4.71 105.19 109.55 2jqn n GLY 24 Ca 0.08 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 43.76 2jqn n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jqn n SER 25 N 0.00 1.43 -0.27 1.61 3.41 -1.26 -4.90 113.62 113.64 2jqn n SER 25 Ca 0.00 -1.84 0.06 0.00 -0.26 0.00 0.00 58.87 56.83 2jqn n SER 25 Cb 0.00 -0.12 0.20 0.00 -0.26 0.00 0.00 64.21 64.03 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 0.50 1.14 -0.42 7.33 0.00 -1.99 -1.27 119.26 124.54 2jqn h ALA 26 Ca -0.15 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2jqn h ALA 26 Cb 0.62 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2jqn h ALA 26 CO 0.23 -0.19 -0.24 -0.24 0.00 0.00 0.00 179.25 178.81 2jqn h VAL 27 N 0.48 1.28 -0.39 0.00 3.04 -1.98 -0.39 116.25 118.29 2jqn h VAL 27 Ca 0.44 -1.39 -0.00 0.00 -1.01 0.00 0.00 66.70 64.73 2jqn h VAL 27 Cb 0.66 1.25 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 2jqn h VAL 27 CO -0.40 0.47 0.24 0.44 -1.01 0.00 0.00 177.57 177.31 2jqn h ASP 28 N 0.74 0.46 -0.16 3.17 5.19 -1.63 -0.17 116.42 124.03 2jqn h ASP 28 Ca 0.09 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.40 2jqn h ASP 28 Cb 0.81 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 2jqn h ASP 28 CO 0.07 0.37 -0.06 -0.07 -3.12 0.00 0.00 179.24 176.42 2jqn h LEU 29 N 0.52 0.44 -0.53 1.55 -0.00 -1.21 0.14 115.31 116.22 2jqn h LEU 29 Ca 0.14 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 2jqn h LEU 29 Cb -0.02 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.50 2jqn h LEU 29 CO -0.03 0.55 0.27 0.00 -0.00 0.00 0.00 178.44 179.24 2jqn h ALA 30 N 1.50 0.68 -0.10 1.53 0.00 -0.31 -2.38 119.26 120.17 2jqn h ALA 30 Ca 0.09 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2jqn h ALA 30 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jqn h ALA 30 CO 0.02 0.22 -0.44 -0.44 0.00 0.00 0.00 179.25 178.60 2jqn h ASP 31 N 0.71 0.26 0.00 0.00 3.32 -0.74 -3.47 116.42 116.49 2jqn h ASP 31 Ca 0.18 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2jqn h ASP 31 Cb 0.08 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2jqn h ASP 31 CO -0.03 0.67 0.00 0.61 -1.72 0.00 0.00 179.24 178.78 2jqn n GLY 32 N -0.10 0.76 3.32 2.75 0.00 0.43 -5.05 105.19 107.30 2jqn n GLY 32 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.12 -0.26 0.33 1.61 -0.12 -0.91 -4.91 117.98 111.60 2jqn s PHE 33 Ca 0.00 0.19 -0.28 0.00 -0.05 0.00 0.00 56.93 56.80 2jqn s PHE 33 Cb 0.00 0.22 -0.09 0.00 -0.63 0.00 0.00 43.02 42.51 2jqn s PHE 33 CO 0.00 -0.58 1.12 0.42 -0.05 0.00 0.00 175.22 176.13 2jqn s ILE 34 N -2.57 3.41 -0.31 -4.49 1.01 -0.99 -4.69 121.20 112.57 2jqn s ILE 34 Ca -0.05 1.31 -0.01 0.00 0.00 0.00 0.00 60.65 61.90 2jqn s ILE 34 Cb -0.01 -3.80 0.10 0.00 0.01 0.00 0.00 42.46 38.77 2jqn s ILE 34 CO -0.03 0.24 0.10 -1.38 0.00 0.00 0.00 174.94 173.87 2jqn s HIS 35 N -1.29 1.47 0.06 3.97 -3.43 -1.26 -0.03 115.29 114.78 2jqn s HIS 35 Ca 0.49 -1.59 0.02 0.00 -0.80 0.00 0.00 55.06 53.19 2jqn s HIS 35 Cb -0.31 -1.57 -0.25 0.00 -1.43 0.00 0.00 32.58 29.02 2jqn s HIS 35 CO 0.39 -0.87 1.07 -0.07 -2.00 0.00 0.00 174.74 173.27 2jqn h LEU 36 N 8.14 0.21 -0.18 5.38 4.07 -1.93 -3.50 115.31 127.50 2jqn h LEU 36 Ca -0.15 -0.25 0.13 0.00 0.08 0.00 0.00 57.88 57.68 2jqn h LEU 36 Cb 1.01 -0.07 -0.06 0.00 1.08 0.00 0.00 40.66 42.63 2jqn h LEU 36 CO 0.47 1.21 -0.38 -1.20 -1.08 0.00 0.00 178.44 177.45 2jqn n SER 37 N -3.39 -2.88 -3.75 -0.43 7.64 -1.26 -3.96 113.62 105.59 2jqn n SER 37 Ca -0.08 0.43 -0.13 0.00 1.01 0.00 0.00 58.87 60.10 2jqn n SER 37 Cb 1.00 -1.68 -0.14 0.00 -1.01 0.00 0.00 64.21 62.38 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 -2.94 -0.35 0.00 -0.43 0.00 -1.26 -1.39 121.76 115.39 2jqn s ALA 38 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2jqn s ALA 38 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.64 2jqn s ALA 38 CO 0.00 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.01 2jqn n GLY 39 N 4.06 1.08 0.28 0.00 0.00 -1.26 -1.40 105.19 107.96 2jqn n GLY 39 Ca -0.25 0.69 0.07 0.00 0.00 0.00 0.00 46.02 46.54 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 0.27 -0.41 1.61 4.57 -1.98 0.14 114.58 118.77 2jqn h GLU 40 Ca 0.00 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 2jqn h GLU 40 Cb 0.00 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 2jqn h GLU 40 CO 0.00 0.18 -0.26 1.96 -1.18 0.00 0.00 179.01 179.71 2jqn h GLN 41 N 0.28 0.86 -0.11 1.92 4.20 -1.64 -2.59 115.11 118.02 2jqn h GLN 41 Ca 0.45 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 2jqn h GLN 41 Cb 0.79 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 2jqn h GLN 41 CO -0.53 1.01 -0.07 0.00 -0.67 0.00 0.00 178.83 178.57 2jqn h ALA 42 N 0.97 0.16 -0.75 3.87 0.00 -1.14 -1.83 119.26 120.54 2jqn h ALA 42 Ca 0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2jqn h ALA 42 Cb 0.80 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2jqn h ALA 42 CO 0.07 -0.04 0.31 0.37 0.00 0.00 0.00 179.25 179.95 2jqn h GLN 43 N -0.13 1.12 0.18 0.00 4.15 -1.09 0.20 115.11 119.53 2jqn h GLN 43 Ca 0.02 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 2jqn h GLN 43 Cb 0.55 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.05 2jqn h GLN 43 CO 0.02 0.90 -0.08 1.49 -1.93 0.00 0.00 178.83 179.22 2jqn h GLU 44 N 1.09 -0.23 -0.40 1.69 4.57 -1.47 -1.80 114.58 118.04 2jqn h GLU 44 Ca 0.25 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.49 2jqn h GLU 44 Cb 0.20 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2jqn h GLU 44 CO -0.02 0.04 0.27 1.15 -1.18 0.00 0.00 179.01 179.26 2jqn h THR 45 N -0.48 1.01 -0.14 0.32 2.02 -1.18 -1.66 112.91 112.81 2jqn h THR 45 Ca -0.02 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2jqn h THR 45 Cb 0.37 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2jqn h THR 45 CO 0.04 0.07 0.08 0.00 0.37 0.00 0.00 175.52 176.08 2jqn h ALA 46 N 1.78 0.17 -0.85 6.16 0.00 -0.40 0.28 119.26 126.40 2jqn h ALA 46 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2jqn h ALA 46 Cb 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2jqn h ALA 46 CO -0.04 -0.30 0.44 0.00 0.00 0.00 0.00 179.25 179.34 2jqn h ALA 47 N 0.99 1.16 -0.16 0.00 0.00 -0.46 0.52 119.26 121.32 2jqn h ALA 47 Ca 0.05 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2jqn h ALA 47 Cb 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2jqn h ALA 47 CO -0.01 0.65 -0.39 0.87 0.00 0.00 0.00 179.25 180.38 2jqn h LYS 48 N 1.21 0.54 0.00 0.00 1.79 -1.25 -3.41 116.57 115.45 2jqn h LYS 48 Ca 0.30 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2jqn h LYS 48 Cb 0.08 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2jqn h LYS 48 CO -0.04 0.98 -0.21 0.91 -1.08 0.00 0.00 179.45 180.01 2jqn n TRP 49 N -4.30 0.00 0.97 -1.35 7.02 0.99 -4.82 117.44 115.95 2jqn n TRP 49 Ca -0.07 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.53 2jqn n TRP 49 Cb 0.53 -0.10 0.55 0.00 -2.42 0.00 0.00 31.31 29.87 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 -3.10 0.00 0.33 -5.99 3.72 0.77 -3.93 117.46 109.27 2jqn n PHE 50 Ca -0.03 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.39 2jqn n PHE 50 Cb 0.11 -0.40 0.12 0.00 -0.94 0.00 0.00 39.48 38.37 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 -1.40 0.17 -2.76 -1.08 0.00 0.15 -2.65 116.66 109.07 2jqn n ARG 51 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.92 2jqn n ARG 51 Cb 0.24 -1.39 0.09 0.00 -0.00 0.00 0.00 32.46 31.39 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 -0.60 1.90 3.64 2.89 0.00 -1.25 -4.19 105.19 107.59 2jqn n GLY 52 Ca 0.03 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.02 2.02 0.29 1.61 1.11 -1.08 -5.17 119.66 116.41 2jqn s GLN 53 Ca 0.19 -2.22 0.09 0.00 0.01 0.00 0.00 55.36 53.43 2jqn s GLN 53 Cb 0.38 -1.33 -0.04 0.00 -1.01 0.00 0.00 33.01 31.01 2jqn s GLN 53 CO -0.08 -0.27 0.02 0.00 0.01 0.00 0.00 175.29 174.97 2jqn s ALA 54 N -2.94 3.22 -1.50 6.09 0.00 -1.26 -4.74 121.76 120.63 2jqn s ALA 54 Ca 0.21 -1.73 -0.06 0.00 0.00 0.00 0.00 51.96 50.38 2jqn s ALA 54 Cb 0.05 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.47 2jqn s ALA 54 CO 0.11 0.20 0.80 0.09 0.00 0.00 0.00 175.76 176.96 2jqn n ASN 55 N -0.94 -6.22 -4.71 0.00 5.03 -1.26 -4.66 115.26 102.50 2jqn n ASN 55 Ca -0.05 -0.38 -0.42 0.00 0.87 0.00 0.00 54.58 54.60 2jqn n ASN 55 Cb 0.60 -4.98 -0.03 0.00 -1.02 0.00 0.00 39.78 34.35 2jqn n ASN 55 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2jqn s LEU 56 N -6.91 4.35 0.06 3.41 1.43 -1.26 0.63 118.68 120.38 2jqn s LEU 56 Ca 0.40 1.96 0.09 0.00 -1.03 0.00 0.00 54.13 55.55 2jqn s LEU 56 Cb -0.18 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 2jqn s LEU 56 CO 0.50 -0.50 -0.24 -0.69 0.23 0.00 0.00 176.35 175.65 2jqn s VAL 57 N 1.39 1.98 -0.37 -1.59 1.01 0.85 -4.37 120.40 119.29 2jqn s VAL 57 Ca 0.58 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2jqn s VAL 57 Cb -0.28 -1.72 0.09 0.00 0.00 0.00 0.00 36.38 34.48 2jqn s VAL 57 CO 0.27 0.24 0.13 -0.22 0.00 0.00 0.00 175.10 175.52 2jqn s LEU 58 N -1.40 4.84 -0.30 3.92 2.96 -0.08 -2.04 118.68 126.58 2jqn s LEU 58 Ca 0.10 -1.89 -0.25 0.00 -0.22 0.00 0.00 54.13 51.88 2jqn s LEU 58 Cb -0.10 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.84 2jqn s LEU 58 CO 0.03 -0.45 0.87 -0.76 -1.32 0.00 0.00 176.35 174.72 2jqn s LEU 59 N 1.12 4.05 -0.32 -0.68 1.43 -0.09 -0.34 118.68 123.85 2jqn s LEU 59 Ca 0.06 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 53.87 2jqn s LEU 59 Cb -0.21 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 2jqn s LEU 59 CO -0.04 -0.66 0.18 0.00 0.23 0.00 0.00 176.35 176.05 2jqn s ALA 60 N 3.11 3.35 -0.03 4.21 0.00 0.20 -1.13 121.76 131.47 2jqn s ALA 60 Ca 0.36 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 51.00 2jqn s ALA 60 Cb -0.14 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.51 2jqn s ALA 60 CO 0.12 -0.90 -0.17 0.08 0.00 0.00 0.00 175.76 174.89 2jqn s VAL 61 N 1.65 1.42 0.05 0.00 1.01 -0.88 -0.80 120.40 122.84 2jqn s VAL 61 Ca 0.05 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 2jqn s VAL 61 Cb -0.17 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2jqn s VAL 61 CO 0.08 0.41 1.06 -1.61 0.00 0.00 0.00 175.10 175.03 2jqn s GLU 62 N -0.16 4.54 0.11 2.72 2.02 -1.26 -1.64 118.70 125.03 2jqn s GLU 62 Ca 0.01 1.56 0.11 0.00 0.02 0.00 0.00 54.97 56.67 2jqn s GLU 62 Cb -0.10 -3.40 -0.15 0.00 0.10 0.00 0.00 34.13 30.59 2jqn s GLU 62 CO 0.01 -0.07 1.12 0.00 0.02 0.00 0.00 175.26 176.33 2jqn h ALA 63 N 6.53 0.55 -0.23 5.21 0.00 -1.71 -3.38 119.26 126.22 2jqn h ALA 63 Ca -0.42 -0.93 -0.02 0.00 0.00 0.00 0.00 54.91 53.55 2jqn h ALA 63 Cb 1.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2jqn h ALA 63 CO 0.76 1.15 0.08 0.93 0.00 0.00 0.00 179.25 182.17 2jqn h GLU 64 N 0.00 0.36 -0.03 0.00 3.07 -1.94 -3.06 114.58 112.99 2jqn h GLU 64 Ca -0.09 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.70 2jqn h GLU 64 Cb 1.72 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.55 2jqn h GLU 64 CO 0.09 0.43 -0.17 -1.00 -1.40 0.00 0.00 179.01 176.97 2jqn h PRO 65 N 0.21 -0.19 0.00 2.33 0.13 -1.98 -2.40 132.00 130.10 2jqn h PRO 65 Ca 0.08 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2jqn h PRO 65 Cb 0.22 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.39 2jqn h PRO 65 CO -0.00 -0.12 -0.03 1.37 -0.23 0.00 0.00 178.00 178.98 2jqn h LEU 66 N -0.19 0.00 0.00 1.56 -0.00 -1.82 -3.46 115.31 111.40 2jqn h LEU 66 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2jqn h LEU 66 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2jqn h LEU 66 CO -0.13 0.03 0.00 0.61 -0.00 0.00 0.00 178.44 178.95 2jqn n GLY 67 N -1.29 1.20 0.28 0.17 0.00 -0.91 -3.15 105.19 101.49 2jqn n GLY 67 Ca -0.03 0.45 0.12 0.00 0.00 0.00 0.00 46.02 46.56 2jqn n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jqn h GLU 68 N 0.00 0.00 0.00 1.61 3.07 -1.89 -1.71 114.58 115.66 2jqn h GLU 68 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jqn h GLU 68 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2jqn h GLU 68 CO 0.00 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.36 2jqn n ASP 69 N -4.21 0.00 -4.10 1.42 8.00 -1.19 -4.47 116.55 112.00 2jqn n ASP 69 Ca -0.03 0.17 -0.33 0.00 0.71 0.00 0.00 54.79 55.31 2jqn n ASP 69 Cb 0.09 -0.36 -0.16 0.00 -0.02 0.00 0.00 41.12 40.68 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 -2.72 2.42 -0.03 0.64 2.96 -0.64 -1.69 118.68 119.62 2jqn s LEU 70 Ca 0.16 -0.82 0.02 0.00 -0.22 0.00 0.00 54.13 53.26 2jqn s LEU 70 Cb 0.13 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.36 2jqn s LEU 70 CO 0.33 -0.05 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.49 2jqn s LYS 71 N 1.26 0.86 -1.10 1.98 2.20 -0.86 -4.90 119.74 119.19 2jqn s LYS 71 Ca 0.02 -0.22 -0.21 0.00 -0.36 0.00 0.00 55.97 55.20 2jqn s LYS 71 Cb -0.15 -0.82 0.07 0.00 -1.51 0.00 0.00 37.83 35.42 2jqn s LYS 71 CO -0.11 0.04 1.50 -1.58 -0.36 0.00 0.00 175.35 174.84 2jqn s TRP 72 N 0.42 2.69 -0.03 4.03 0.52 -1.26 -0.50 118.94 124.81 2jqn s TRP 72 Ca -0.06 -1.16 -0.30 0.00 0.02 0.00 0.00 56.10 54.60 2jqn s TRP 72 Cb -0.10 -4.66 -0.04 0.00 -1.15 0.00 0.00 33.47 27.52 2jqn s TRP 72 CO 0.00 -1.84 1.19 -1.21 0.02 0.00 0.00 176.95 175.11 2jqn s GLU 73 N 4.43 4.37 0.06 4.98 0.41 -0.26 -4.47 118.70 128.23 2jqn s GLU 73 Ca 0.47 1.68 -0.31 0.00 -0.41 0.00 0.00 54.97 56.40 2jqn s GLU 73 Cb 0.01 -3.52 -0.07 0.00 -1.78 0.00 0.00 34.13 28.77 2jqn s GLU 73 CO -0.05 -0.40 1.39 0.00 -0.49 0.00 0.00 175.26 175.72 2jqn s ALA 74 N 1.97 3.58 1.07 5.21 0.00 -1.26 -0.27 121.76 132.06 2jqn s ALA 74 Ca 0.56 1.00 -0.17 0.00 0.00 0.00 0.00 51.96 53.35 2jqn s ALA 74 Cb -0.25 -3.56 0.23 0.00 0.00 0.00 0.00 23.12 19.54 2jqn s ALA 74 CO 0.23 -0.75 1.19 -1.54 0.00 0.00 0.00 175.76 174.89 2jqn s SER 75 N 1.50 2.08 0.40 0.00 1.04 0.35 -4.91 113.70 114.16 2jqn s SER 75 Ca 0.64 0.56 0.13 0.00 0.48 0.00 0.00 55.95 57.76 2jqn s SER 75 Cb -0.34 -0.78 0.83 0.00 0.10 0.00 0.00 66.02 65.83 2jqn s SER 75 CO 0.29 -3.40 1.89 -0.09 0.98 0.00 0.00 173.24 172.91 2jqn h ARG 76 N -2.09 0.01 0.20 4.02 2.43 -1.95 -3.01 114.38 113.99 2jqn h ARG 76 Ca -0.46 -0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.41 2jqn h ARG 76 Cb 1.28 -0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.86 2jqn h ARG 76 CO 0.40 0.30 -1.29 0.78 -1.51 0.00 0.00 179.97 178.65 2jqn h GLY 77 N 0.88 0.59 0.00 2.80 0.00 -2.03 -3.49 103.07 101.83 2jqn h GLY 77 Ca -0.00 -1.43 0.00 0.00 0.00 0.00 0.00 47.33 45.90 2jqn h GLY 77 CO 0.04 1.25 0.00 0.61 0.00 0.00 0.00 176.54 178.44 2jqn n GLY 78 N 1.62 2.26 3.75 4.60 0.00 -1.14 -5.14 105.19 111.14 2jqn n GLY 78 Ca -0.16 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 1.90 -2.22 4.61 0.00 -1.26 -3.90 120.51 119.63 2jqn n ALA 79 Ca 0.00 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.38 2jqn n ALA 79 Cb 0.00 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.03 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 -2.34 3.93 -0.08 0.00 0.52 -1.26 -0.50 118.95 119.22 2jqn s ARG 80 Ca 0.60 0.54 0.01 0.00 -0.52 0.00 0.00 55.73 56.36 2jqn s ARG 80 Cb -0.47 -2.49 0.02 0.00 0.52 0.00 0.00 34.95 32.53 2jqn s ARG 80 CO 0.59 0.19 -0.08 -0.06 0.02 0.00 0.00 175.30 175.96 2jqn s PHE 81 N -1.95 1.30 -0.58 -0.53 0.08 0.63 -4.86 117.98 112.06 2jqn s PHE 81 Ca 0.52 -0.55 -0.26 0.00 0.12 0.00 0.00 56.93 56.76 2jqn s PHE 81 Cb -0.10 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 2jqn s PHE 81 CO 0.19 -0.37 2.08 -1.25 -0.10 0.00 0.00 175.22 175.77 2jqn s PRO 82 N 1.27 2.40 -0.23 0.24 0.04 -1.26 -1.10 135.00 136.35 2jqn s PRO 82 Ca -0.04 0.88 -0.12 0.00 0.04 0.00 0.00 61.00 61.76 2jqn s PRO 82 Cb -0.14 -4.49 -0.05 0.00 0.04 0.00 0.00 34.50 29.86 2jqn s PRO 82 CO -0.03 -3.00 0.23 -1.01 0.04 0.00 0.00 177.00 173.24 2jqn s HIS 83 N 10.42 3.33 -0.37 0.56 3.76 0.35 -3.58 115.29 129.77 2jqn s HIS 83 Ca 0.79 0.35 -0.17 0.00 -0.15 0.00 0.00 55.06 55.88 2jqn s HIS 83 Cb -0.14 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.20 2jqn s HIS 83 CO 0.22 0.04 0.45 -1.17 -0.85 0.00 0.00 174.74 173.43 2jqn s LEU 84 N 1.13 4.50 -0.11 0.89 2.96 0.96 -2.03 118.68 126.98 2jqn s LEU 84 Ca 0.11 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 2jqn s LEU 84 Cb -0.14 -2.46 0.30 0.00 0.50 0.00 0.00 46.19 44.39 2jqn s LEU 84 CO 0.05 -0.47 1.08 -1.22 -1.32 0.00 0.00 176.35 174.47 2jqn n TYR 85 N 5.61 0.90 -4.43 5.38 4.01 -0.68 -2.35 117.16 125.60 2jqn n TYR 85 Ca -0.07 -0.47 -0.19 0.00 -0.16 0.00 0.00 57.90 57.00 2jqn n TYR 85 Cb 0.49 -0.33 -0.15 0.00 -0.31 0.00 0.00 39.34 39.04 2jqn n TYR 85 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2jqn s ARG 86 N -1.56 0.84 -0.03 -0.72 1.81 -1.26 -5.03 118.95 112.99 2jqn s ARG 86 Ca 0.21 -0.41 -0.30 0.00 -1.72 0.00 0.00 55.73 53.51 2jqn s ARG 86 Cb 0.17 -0.81 -0.09 0.00 -0.45 0.00 0.00 34.95 33.77 2jqn s ARG 86 CO 0.06 0.22 2.02 -2.30 -0.68 0.00 0.00 175.30 174.61 2jqn n PRO 87 N 2.73 2.61 -1.92 3.54 -0.02 -1.26 -4.79 135.00 135.89 2jqn n PRO 87 Ca -0.14 0.92 -0.23 0.00 -2.02 0.00 0.00 63.50 62.03 2jqn n PRO 87 Cb 0.56 -3.01 -0.06 0.00 -0.02 0.00 0.00 33.50 30.97 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 5.20 3.03 0.28 2.45 2.96 0.12 -4.80 118.68 127.92 2jqn s LEU 88 Ca 0.92 -0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 53.82 2jqn s LEU 88 Cb -0.45 -2.57 -0.12 0.00 0.50 0.00 0.00 46.19 43.56 2jqn s LEU 88 CO 0.42 -3.18 1.63 -0.76 -1.32 0.00 0.00 176.35 173.14 2jqn s LEU 89 N 11.71 4.35 0.47 -0.68 1.43 -1.26 -0.13 118.68 134.56 2jqn s LEU 89 Ca 0.75 2.95 0.12 0.00 -1.03 0.00 0.00 54.13 56.92 2jqn s LEU 89 Cb -0.07 -3.63 1.08 0.00 0.03 0.00 0.00 46.19 43.61 2jqn s LEU 89 CO 0.05 -0.94 2.11 0.58 0.23 0.00 0.00 176.35 178.38 2jqn h VAL 90 N 3.46 1.05 0.00 -1.59 2.07 -1.80 0.19 116.25 119.63 2jqn h VAL 90 Ca -0.46 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2jqn h VAL 90 Cb 1.22 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2jqn h VAL 90 CO 0.83 0.05 0.00 -1.20 0.02 0.00 0.00 177.57 177.26 2jqn n SER 91 N -4.51 0.28 0.01 0.57 7.64 -1.26 -2.29 113.62 114.07 2jqn n SER 91 Ca -0.00 0.56 0.11 0.00 1.01 0.00 0.00 58.87 60.55 2jqn n SER 91 Cb 0.08 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 62.61 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 -1.81 0.24 -2.57 1.43 4.07 0.64 -4.96 120.64 117.69 2jqn n GLU 92 Ca 0.03 -0.03 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 2jqn n GLU 92 Cb 0.21 -1.55 -0.04 0.00 -0.06 0.00 0.00 31.44 30.00 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 -3.18 3.90 -0.03 6.31 1.01 -0.97 -4.97 120.40 122.48 2jqn s VAL 93 Ca 0.04 1.72 -0.03 0.00 0.00 0.00 0.00 61.98 63.71 2jqn s VAL 93 Cb 0.15 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2jqn s VAL 93 CO 0.83 0.33 0.22 0.74 0.00 0.00 0.00 175.10 177.23 2jqn h THR 94 N 3.55 0.00 -3.88 3.92 2.02 -1.89 -3.49 112.91 113.14 2jqn h THR 94 Ca -0.45 -0.30 -0.15 0.00 0.77 0.00 0.00 66.41 66.29 2jqn h THR 94 Cb 1.21 0.00 -0.19 0.00 -1.74 0.00 0.00 68.15 67.43 2jqn h THR 94 CO 0.71 0.00 -0.61 -0.13 0.37 0.00 0.00 175.52 175.86 2jqn s ARG 95 N -1.74 0.46 -0.14 6.66 0.52 0.02 -5.04 118.95 119.69 2jqn s ARG 95 Ca -0.01 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.52 2jqn s ARG 95 Cb 0.00 0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.66 2jqn s ARG 95 CO 0.04 -0.10 -0.22 -1.83 0.02 0.00 0.00 175.30 173.21 2jqn s GLU 96 N -2.12 3.00 0.21 3.54 -1.05 -1.26 -0.63 118.70 120.38 2jqn s GLU 96 Ca -0.09 -0.85 0.11 0.00 -0.15 0.00 0.00 54.97 53.99 2jqn s GLU 96 Cb -0.05 -2.41 -0.04 0.00 -0.44 0.00 0.00 34.13 31.19 2jqn s GLU 96 CO -0.03 -0.00 -0.19 0.00 0.95 0.00 0.00 175.26 175.99 2jqn s ALA 97 N 0.79 2.70 -0.67 -0.84 0.00 0.54 -4.98 121.76 119.30 2jqn s ALA 97 Ca -0.08 -1.65 -0.16 0.00 0.00 0.00 0.00 51.96 50.07 2jqn s ALA 97 Cb -0.16 -0.43 0.16 0.00 0.00 0.00 0.00 23.12 22.69 2jqn s ALA 97 CO -0.01 0.40 0.65 0.34 0.00 0.00 0.00 175.76 177.14 2jqn s ASP 98 N -2.93 6.41 0.42 0.00 2.15 -1.26 -0.90 116.67 120.56 2jqn s ASP 98 Ca 0.24 -2.06 -0.22 0.00 0.43 0.00 0.00 52.55 50.94 2jqn s ASP 98 Cb -0.07 -2.23 -0.10 0.00 -0.30 0.00 0.00 42.92 40.21 2jqn s ASP 98 CO 0.13 -0.81 0.96 -1.48 -0.17 0.00 0.00 175.17 173.80 2jqn s LEU 99 N 1.32 3.98 0.76 -1.34 2.34 -1.26 -4.98 118.68 119.51 2jqn s LEU 99 Ca 0.11 1.75 -0.07 0.00 0.06 0.00 0.00 54.13 55.98 2jqn s LEU 99 Cb -0.21 -4.47 0.11 0.00 -0.56 0.00 0.00 46.19 41.07 2jqn s LEU 99 CO -0.01 -0.38 1.07 1.51 -1.06 0.00 0.00 176.35 177.48 2jqn s ASP 100 N -2.07 4.28 -0.44 1.48 1.47 -1.26 -4.95 116.67 115.19 2jqn s ASP 100 Ca 0.61 0.13 0.02 0.00 1.18 0.00 0.00 52.55 54.49 2jqn s ASP 100 Cb -0.11 -0.56 0.15 0.00 -0.34 0.00 0.00 42.92 42.05 2jqn s ASP 100 CO 0.16 -1.93 0.28 -0.76 0.68 0.00 0.00 175.17 173.60 2jqn s LEU 101 N -5.35 2.14 0.54 2.11 1.43 -1.26 -3.51 118.68 114.78 2jqn s LEU 101 Ca 0.65 -2.74 -0.02 0.00 -1.03 0.00 0.00 54.13 50.99 2jqn s LEU 101 Cb -0.07 -0.78 0.01 0.00 0.03 0.00 0.00 46.19 45.38 2jqn s LEU 101 CO 0.46 -0.24 0.80 -0.62 0.23 0.00 0.00 176.35 176.98 2jqn s ASP 102 N 0.29 5.55 0.00 2.29 2.15 -0.47 -4.08 116.67 122.39 2jqn s ASP 102 Ca 0.22 0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.58 2jqn s ASP 102 Cb -0.15 -1.41 0.00 0.00 -0.30 0.00 0.00 42.92 41.06 2jqn s ASP 102 CO -0.06 -0.99 0.00 0.00 -0.17 0.00 0.00 175.17 173.95 2jqn n ALA 103 N -2.37 0.00 -2.12 3.66 0.00 -1.26 -0.47 120.51 117.95 2jqn n ALA 103 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.52 2jqn n ALA 103 Cb 0.58 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.09 2jqn n ALA 103 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jqn n ASP 104 N 1.65 1.00 0.00 0.00 2.03 -1.26 -4.93 116.55 115.03 2jqn n ASP 104 Ca 0.00 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.90 2jqn n ASP 104 Cb 0.00 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 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 -0.04 1.32 3.51 0.27 0.00 -0.17 -4.75 105.19 105.32 2jqn n GLY 105 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 5.18 0.06 1.61 1.01 0.38 -3.98 120.40 122.66 2jqn s VAL 106 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 2jqn s VAL 106 Cb 0.00 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 2jqn s VAL 106 CO 0.00 -0.22 1.92 -2.65 0.00 0.00 0.00 175.10 174.14 2jqn n PRO 107 N 5.36 2.78 -1.93 2.72 -0.02 -1.23 -1.37 135.00 141.32 2jqn n PRO 107 Ca -0.09 1.02 -0.38 0.00 -2.02 0.00 0.00 63.50 62.02 2jqn n PRO 107 Cb 0.48 -2.94 -0.03 0.00 -0.02 0.00 0.00 33.50 30.99 2jqn n PRO 107 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2jqn n GLN 108 N 6.77 2.24 0.16 -0.52 1.13 -1.26 -4.68 117.38 121.22 2jqn n GLN 108 Ca 0.20 -2.57 0.13 0.00 -1.94 0.00 0.00 57.00 52.82 2jqn n GLN 108 Cb 0.39 -3.40 0.48 0.00 0.11 0.00 0.00 30.24 27.82 2jqn n GLN 108 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2jqn h LEU 109 N 13.99 0.00 -1.36 1.08 4.07 -1.96 -3.29 115.31 127.85 2jqn h LEU 109 Ca 0.39 0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.53 2jqn h LEU 109 Cb 0.80 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.47 2jqn h LEU 109 CO 1.59 0.00 0.58 1.23 -1.08 0.00 0.00 178.44 180.76 2jqn h GLY 110 N 2.91 1.12 2.00 0.83 0.00 -1.95 0.64 103.07 108.62 2jqn h GLY 110 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2jqn h GLY 110 CO 0.00 0.03 -0.15 -0.55 0.00 0.00 0.00 176.54 175.87 2jqn h ASP 111 N 0.57 0.00 0.68 0.19 3.32 -1.98 -2.83 116.42 116.37 2jqn h ASP 111 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 2jqn h ASP 111 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2jqn h ASP 111 CO -0.21 0.15 -0.76 1.41 -1.72 0.00 0.00 179.24 178.11 2jqn n HIS 112 N -3.29 0.40 -1.95 4.55 8.25 0.20 -4.94 115.22 118.45 2jqn n HIS 112 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2jqn n HIS 112 Cb 0.40 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.97 2jqn n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2jqn n LEU 113 N -2.01 0.00 0.00 2.41 4.77 0.24 -4.71 117.00 117.71 2jqn n LEU 113 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2jqn n LEU 113 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2jqn n LEU 113 CO 0.38 -0.06 0.00 0.00 -1.33 0.00 0.00 177.39 176.38 2jqn n ALA 114 N -3.00 0.00 0.00 -1.18 0.00 -1.26 -4.78 120.51 110.29 2jqn n ALA 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jqn n ALA 114 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.36 0.00 0.00 -1.26 -5.25 117.00 110.13 2jqn n LEU 115 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 56.01 56.16 2jqn n LEU 115 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 43.42 44.06 2jqn n LEU 115 CO 0.00 0.00 0.93 1.21 0.00 0.00 0.00 177.39 179.53