#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 -0.45 -0.38 1.12 -4.23 -1.26 -5.02 115.64 105.42 2jqn s THR 2 Ca 0.00 -0.45 -0.23 0.00 -1.18 0.00 0.00 61.69 59.83 2jqn s THR 2 Cb 0.00 0.00 0.01 0.00 1.34 0.00 0.00 72.50 73.85 2jqn s THR 2 CO 0.00 0.00 0.77 -0.76 -0.54 0.00 0.00 174.62 174.09 2jqn s LEU 3 N 0.95 4.15 -0.06 4.79 1.43 -1.26 -0.77 118.68 127.91 2jqn s LEU 3 Ca 0.26 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.55 2jqn s LEU 3 Cb 0.09 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2jqn s LEU 3 CO -0.09 -0.75 0.21 0.27 0.23 0.00 0.00 176.35 176.22 2jqn s ILE 4 N 3.10 5.39 0.08 -0.59 -4.36 0.34 -4.81 121.20 120.35 2jqn s ILE 4 Ca 0.31 0.24 0.09 0.00 -0.26 0.00 0.00 60.65 61.03 2jqn s ILE 4 Cb -0.13 -3.50 -0.04 0.00 1.25 0.00 0.00 42.46 40.05 2jqn s ILE 4 CO 0.18 0.52 -0.21 -0.31 0.24 0.00 0.00 174.94 175.36 2jqn s TYR 5 N -1.13 2.48 -0.21 1.37 1.51 -0.19 -1.57 117.35 119.61 2jqn s TYR 5 Ca 0.21 -0.30 -0.06 0.00 -1.01 0.00 0.00 57.07 55.90 2jqn s TYR 5 Cb -0.13 -1.38 0.10 0.00 -0.11 0.00 0.00 41.96 40.44 2jqn s TYR 5 CO 0.10 0.29 0.41 0.21 -1.11 0.00 0.00 175.55 175.45 2jqn s LYS 6 N -1.74 0.32 0.18 -0.62 2.20 -0.36 -1.78 119.74 117.94 2jqn s LYS 6 Ca 0.15 0.94 -0.07 0.00 -0.36 0.00 0.00 55.97 56.62 2jqn s LYS 6 Cb -0.10 0.18 -0.06 0.00 -1.51 0.00 0.00 37.83 36.33 2jqn s LYS 6 CO 0.06 -0.33 0.46 0.42 -0.36 0.00 0.00 175.35 175.61 2jqn s ILE 7 N 2.60 5.05 0.29 5.43 1.09 -1.26 -0.20 121.20 134.19 2jqn s ILE 7 Ca 0.01 0.28 -0.20 0.00 -1.10 0.00 0.00 60.65 59.64 2jqn s ILE 7 Cb -0.13 -3.62 0.03 0.00 -1.06 0.00 0.00 42.46 37.68 2jqn s ILE 7 CO -0.13 0.01 0.74 -1.48 -0.10 0.00 0.00 174.94 173.98 2jqn s LEU 8 N -2.67 -0.21 0.35 2.97 2.34 -0.48 -4.96 118.68 116.01 2jqn s LEU 8 Ca 0.43 -0.69 -0.25 0.00 0.06 0.00 0.00 54.13 53.69 2jqn s LEU 8 Cb -0.12 2.73 -0.10 0.00 -0.56 0.00 0.00 46.19 48.14 2jqn s LEU 8 CO 0.22 -1.39 0.95 -0.55 -1.06 0.00 0.00 176.35 174.53 2jqn s SER 9 N -2.95 7.24 0.52 1.48 0.15 -1.26 -0.35 113.70 118.53 2jqn s SER 9 Ca 0.12 1.81 0.19 0.00 0.70 0.00 0.00 55.95 58.76 2jqn s SER 9 Cb -0.06 -2.57 1.31 0.00 -1.71 0.00 0.00 66.02 62.99 2jqn s SER 9 CO 0.08 -0.14 2.10 -0.09 1.20 0.00 0.00 173.24 176.39 2jqn h ARG 10 N 2.88 0.00 0.92 5.44 9.65 -1.39 -1.54 114.38 130.33 2jqn h ARG 10 Ca -0.47 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.36 2jqn h ARG 10 Cb 1.19 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.78 2jqn h ARG 10 CO 0.64 0.00 -0.44 0.00 2.80 0.00 0.00 179.97 182.97 2jqn h ALA 11 N 1.92 -1.23 -0.41 2.80 0.00 -1.92 -0.70 119.26 119.72 2jqn h ALA 11 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jqn h ALA 11 Cb 0.30 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2jqn h ALA 11 CO -0.00 -1.17 0.22 0.93 0.00 0.00 0.00 179.25 179.24 2jqn h GLU 12 N -1.28 0.56 -0.17 0.00 3.07 -1.92 -1.69 114.58 113.15 2jqn h GLU 12 Ca -0.13 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 2jqn h GLU 12 Cb 0.95 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.73 2jqn h GLU 12 CO 0.21 0.41 0.05 2.35 -1.40 0.00 0.00 179.01 180.63 2jqn h TRP 13 N 0.57 0.27 -0.54 4.33 -0.00 -1.13 0.13 115.95 119.58 2jqn h TRP 13 Ca 0.15 -0.03 -0.12 0.00 -0.00 0.00 0.00 58.89 58.89 2jqn h TRP 13 Cb 0.02 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 29.08 2jqn h TRP 13 CO 0.00 0.39 -0.11 0.22 -0.00 0.00 0.00 178.44 178.94 2jqn h ASP 14 N 0.08 1.04 -0.52 2.65 3.58 -0.97 -2.21 116.42 120.07 2jqn h ASP 14 Ca 0.05 -0.35 0.03 0.00 0.42 0.00 0.00 57.03 57.18 2jqn h ASP 14 Cb 0.25 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 2jqn h ASP 14 CO -0.00 1.15 0.35 0.00 -2.88 0.00 0.00 179.24 177.85 2jqn h ALA 15 N 0.93 1.73 -0.55 -0.78 0.00 -1.18 -1.20 119.26 118.21 2jqn h ALA 15 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2jqn h ALA 15 Cb 0.68 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2jqn h ALA 15 CO 0.05 0.22 0.19 0.00 0.00 0.00 0.00 179.25 179.71 2jqn h ALA 16 N 1.69 0.72 -0.53 0.00 0.00 -0.21 -2.69 119.26 118.24 2jqn h ALA 16 Ca 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jqn h ALA 16 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2jqn h ALA 16 CO -0.05 0.36 0.26 0.87 0.00 0.00 0.00 179.25 180.69 2jqn h LYS 17 N 0.76 0.74 -0.14 0.00 1.57 -0.71 0.18 116.57 118.97 2jqn h LYS 17 Ca 0.18 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2jqn h LYS 17 Cb 0.25 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2jqn h LYS 17 CO -0.01 0.57 0.12 0.00 -0.57 0.00 0.00 179.45 179.56 2jqn h ALA 18 N 1.55 1.90 -0.01 3.86 0.00 -0.92 -0.99 119.26 124.64 2jqn h ALA 18 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jqn h ALA 18 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jqn h ALA 18 CO -0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 179.25 178.99 2jqn n GLN 19 N -4.11 0.98 -0.78 0.00 10.64 -0.75 -4.99 117.38 118.36 2jqn n GLN 19 Ca 0.00 -1.17 0.00 0.00 -1.83 0.00 0.00 57.00 54.01 2jqn n GLN 19 Cb 0.24 -1.23 0.00 0.00 -0.86 0.00 0.00 30.24 28.39 2jqn n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jqn n GLY 20 N 0.77 0.73 3.11 2.61 0.00 0.56 -4.96 105.19 108.00 2jqn n GLY 20 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.33 0.68 0.19 1.61 1.70 -0.94 -2.29 118.95 119.57 2jqn s ARG 21 Ca 0.00 -1.05 0.06 0.00 -0.47 0.00 0.00 55.73 54.27 2jqn s ARG 21 Cb 0.00 -0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.11 2jqn s ARG 21 CO 0.00 0.01 -0.11 0.12 -1.08 0.00 0.00 175.30 174.24 2jqn s PHE 22 N -2.58 1.53 0.00 5.89 5.36 0.55 -4.56 117.98 124.17 2jqn s PHE 22 Ca 0.01 -0.69 0.00 0.00 -0.96 0.00 0.00 56.93 55.29 2jqn s PHE 22 Cb -0.02 -0.76 0.00 0.00 -0.34 0.00 0.00 43.02 41.90 2jqn s PHE 22 CO -0.03 0.21 0.00 0.39 -1.46 0.00 0.00 175.22 174.33 2jqn n GLU 23 N -0.32 0.00 -1.63 10.12 1.02 -1.26 -1.85 120.64 126.72 2jqn n GLU 23 Ca -0.08 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.91 2jqn n GLU 23 Cb 0.61 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.98 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 0.00 1.08 2.88 0.62 0.00 -1.26 -4.89 105.19 103.62 2jqn n GLY 24 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.44 0.70 -0.31 1.61 2.88 -1.26 -4.80 113.62 112.00 2jqn n SER 25 Ca -0.15 -1.69 0.13 0.00 -1.33 0.00 0.00 58.87 55.83 2jqn n SER 25 Cb 0.51 -0.57 0.30 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.98 1.44 -0.98 -1.46 0.00 -1.99 0.93 119.26 116.22 2jqn h ALA 26 Ca -0.27 0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2jqn h ALA 26 Cb 0.90 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 2jqn h ALA 26 CO 0.25 -0.31 0.63 0.28 0.00 0.00 0.00 179.25 180.10 2jqn h VAL 27 N 0.43 1.05 0.05 0.00 2.07 -1.97 0.33 116.25 118.22 2jqn h VAL 27 Ca 0.56 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 2jqn h VAL 27 Cb 1.03 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2jqn h VAL 27 CO -0.51 0.20 -0.03 -0.78 0.02 0.00 0.00 177.57 176.48 2jqn h ASP 28 N 1.11 -0.06 0.37 0.57 3.58 -1.05 -0.75 116.42 120.19 2jqn h ASP 28 Ca 0.44 -0.33 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 2jqn h ASP 28 Cb 0.24 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2jqn h ASP 28 CO -0.18 0.31 -0.21 -0.07 -2.88 0.00 0.00 179.24 176.20 2jqn h LEU 29 N -0.44 0.00 0.08 2.28 -0.00 -1.12 0.11 115.31 116.21 2jqn h LEU 29 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2jqn h LEU 29 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2jqn h LEU 29 CO 0.01 0.21 -0.04 0.00 -0.00 0.00 0.00 178.44 178.63 2jqn h ALA 30 N 1.79 -0.11 0.00 1.53 0.00 -0.26 -3.38 119.26 118.83 2jqn h ALA 30 Ca -0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 2jqn h ALA 30 Cb 0.46 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2jqn h ALA 30 CO 0.03 -0.12 -1.01 0.22 0.00 0.00 0.00 179.25 178.37 2jqn h ASP 31 N -0.98 0.00 0.00 0.00 3.58 -1.17 -3.48 116.42 114.38 2jqn h ASP 31 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2jqn h ASP 31 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2jqn h ASP 31 CO 0.02 0.97 0.00 0.61 -2.88 0.00 0.00 179.24 177.96 2jqn n GLY 32 N 1.35 1.07 3.49 -0.78 0.00 0.02 -5.07 105.19 105.27 2jqn n GLY 32 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.41 0.18 0.42 1.61 -0.12 -1.18 -4.89 117.98 112.59 2jqn s PHE 33 Ca 0.00 -0.54 -0.21 0.00 -0.05 0.00 0.00 56.93 56.13 2jqn s PHE 33 Cb 0.00 0.20 -0.11 0.00 -0.63 0.00 0.00 43.02 42.48 2jqn s PHE 33 CO 0.00 -0.88 0.94 0.42 -0.05 0.00 0.00 175.22 175.65 2jqn s ILE 34 N -3.95 4.38 -0.21 -4.49 1.01 0.55 -4.48 121.20 114.01 2jqn s ILE 34 Ca 0.16 1.51 -0.04 0.00 0.00 0.00 0.00 60.65 62.28 2jqn s ILE 34 Cb 0.00 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 2jqn s ILE 34 CO 0.02 -0.27 -0.05 -1.00 0.00 0.00 0.00 174.94 173.64 2jqn s HIS 35 N -2.12 2.95 0.29 3.97 3.76 -1.26 -2.01 115.29 120.87 2jqn s HIS 35 Ca 0.61 -0.88 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 2jqn s HIS 35 Cb -0.10 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.51 2jqn s HIS 35 CO 0.14 -0.50 0.02 1.28 -0.85 0.00 0.00 174.74 174.83 2jqn n LEU 36 N 4.65 0.00 -3.84 0.89 4.32 -1.06 -5.02 117.00 116.94 2jqn n LEU 36 Ca -0.18 -1.79 -0.11 0.00 -0.02 0.00 0.00 56.01 53.91 2jqn n LEU 36 Cb 0.51 0.18 -0.09 0.00 -1.62 0.00 0.00 43.42 42.41 2jqn n LEU 36 CO 0.29 -0.27 -0.10 -0.44 -1.22 0.00 0.00 177.39 175.66 2jqn s SER 37 N -2.59 0.00 0.37 -1.43 0.01 -0.73 -4.13 113.70 105.20 2jqn s SER 37 Ca 0.01 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2jqn s SER 37 Cb -0.00 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2jqn s SER 37 CO 0.01 -0.51 0.00 0.00 0.41 0.00 0.00 173.24 173.14 2jqn n ALA 38 N 0.88 0.00 0.00 1.44 0.00 -1.26 -1.02 120.51 120.55 2jqn n ALA 38 Ca -0.20 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 2jqn n ALA 38 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.03 2jqn n ALA 38 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jqn h GLY 39 N 0.00 -0.44 1.21 0.00 0.00 -1.95 0.90 103.07 102.80 2jqn h GLY 39 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 2jqn h GLY 39 CO 0.00 -0.17 0.33 1.05 0.00 0.00 0.00 176.54 177.75 2jqn h GLU 40 N -0.00 1.02 -0.35 4.80 9.09 -2.00 -2.62 114.58 124.51 2jqn h GLU 40 Ca -0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 59.36 59.26 2jqn h GLU 40 Cb 0.00 -0.19 -0.02 0.00 -1.65 0.00 0.00 28.75 26.90 2jqn h GLU 40 CO 0.00 0.79 0.20 0.37 0.05 0.00 0.00 179.01 180.42 2jqn h GLN 41 N 1.01 0.48 -0.65 1.06 5.75 -1.94 -2.58 115.11 118.24 2jqn h GLN 41 Ca 0.24 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.67 2jqn h GLN 41 Cb 0.12 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 2jqn h GLN 41 CO -0.03 0.39 0.33 0.00 -2.65 0.00 0.00 178.83 176.87 2jqn h ALA 42 N 1.07 0.84 -0.13 3.38 0.00 -0.53 0.16 119.26 124.04 2jqn h ALA 42 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jqn h ALA 42 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2jqn h ALA 42 CO -0.02 0.38 0.08 0.37 0.00 0.00 0.00 179.25 180.07 2jqn h GLN 43 N 0.89 0.17 -0.15 0.00 5.75 -1.36 0.48 115.11 120.89 2jqn h GLN 43 Ca 0.23 -0.01 -0.19 0.00 -0.15 0.00 0.00 58.65 58.52 2jqn h GLN 43 Cb 0.09 -0.04 0.01 0.00 1.07 0.00 0.00 27.48 28.61 2jqn h GLN 43 CO -0.03 0.11 -0.65 0.93 -2.65 0.00 0.00 178.83 176.54 2jqn h GLU 44 N 0.17 0.71 -0.81 1.69 5.08 -1.33 -2.58 114.58 117.51 2jqn h GLU 44 Ca 0.05 -0.56 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 2jqn h GLU 44 Cb -0.02 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2jqn h GLU 44 CO -0.02 1.18 0.53 1.15 -1.00 0.00 0.00 179.01 180.85 2jqn h THR 45 N 0.41 1.18 -0.77 1.13 2.02 -0.65 -2.34 112.91 113.89 2jqn h THR 45 Ca -0.04 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.80 2jqn h THR 45 Cb 1.28 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 2jqn h THR 45 CO 0.14 0.19 0.49 0.00 0.37 0.00 0.00 175.52 176.71 2jqn h ALA 46 N 1.31 1.01 -0.46 6.16 0.00 -0.87 0.72 119.26 127.14 2jqn h ALA 46 Ca 0.31 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.24 2jqn h ALA 46 Cb -0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2jqn h ALA 46 CO -0.08 0.31 0.31 0.00 0.00 0.00 0.00 179.25 179.78 2jqn h ALA 47 N 1.32 1.92 0.00 0.00 0.00 -1.01 0.11 119.26 121.60 2jqn h ALA 47 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2jqn h ALA 47 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2jqn h ALA 47 CO -0.10 0.00 -0.08 0.87 0.00 0.00 0.00 179.25 179.93 2jqn h LYS 48 N 0.40 0.00 -0.10 0.00 1.57 -0.98 -3.26 116.57 114.19 2jqn h LYS 48 Ca 0.20 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.74 2jqn h LYS 48 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.60 2jqn h LYS 48 CO -0.05 0.00 -0.86 -1.49 -0.57 0.00 0.00 179.45 176.48 2jqn h TRP 49 N -0.68 1.06 -0.43 -1.35 4.06 -0.92 -3.31 115.95 114.38 2jqn h TRP 49 Ca 0.00 -0.51 -0.30 0.00 2.06 0.00 0.00 58.89 60.15 2jqn h TRP 49 Cb 0.08 -0.15 -0.21 0.00 -1.00 0.00 0.00 29.16 27.89 2jqn h TRP 49 CO -0.04 1.34 -0.43 1.19 -3.56 0.00 0.00 178.44 176.94 2jqn n PHE 50 N -3.92 1.51 -0.30 0.49 3.72 0.31 -4.89 117.46 114.38 2jqn n PHE 50 Ca -0.09 -1.90 0.01 0.00 -0.05 0.00 0.00 57.45 55.42 2jqn n PHE 50 Cb 0.79 -0.42 0.06 0.00 -0.94 0.00 0.00 39.48 38.97 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 -0.95 -0.15 -2.70 -1.08 1.85 -0.68 -3.67 116.66 109.28 2jqn n ARG 51 Ca 0.35 1.24 -0.06 0.00 -1.00 0.00 0.00 57.85 58.38 2jqn n ARG 51 Cb 0.88 -1.85 0.11 0.00 -1.05 0.00 0.00 32.46 30.55 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 -1.42 1.54 3.90 2.89 0.00 -1.26 -4.25 105.19 106.58 2jqn n GLY 52 Ca 0.10 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.47 3.60 -0.08 1.61 -0.21 -1.24 -5.03 119.66 117.83 2jqn s GLN 53 Ca 0.20 0.24 -0.24 0.00 0.02 0.00 0.00 55.36 55.58 2jqn s GLN 53 Cb 0.42 -2.40 -0.03 0.00 1.00 0.00 0.00 33.01 31.99 2jqn s GLN 53 CO -0.08 -0.13 0.72 0.00 -2.12 0.00 0.00 175.29 173.67 2jqn s ALA 54 N -2.61 3.36 -0.23 6.09 0.00 -1.26 -4.61 121.76 122.50 2jqn s ALA 54 Ca 0.48 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 2jqn s ALA 54 Cb -0.10 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.03 2jqn s ALA 54 CO 0.41 -0.19 0.20 0.09 0.00 0.00 0.00 175.76 176.26 2jqn n ASN 55 N 4.02 -5.74 -4.40 0.00 4.13 -1.26 -4.68 115.26 107.31 2jqn n ASN 55 Ca -0.00 0.60 -0.33 0.00 1.68 0.00 0.00 54.58 56.53 2jqn n ASN 55 Cb 0.51 -3.73 -0.14 0.00 -1.54 0.00 0.00 39.78 34.88 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 -1.54 2.86 -0.18 3.41 1.43 -1.18 -1.11 118.68 122.38 2jqn s LEU 56 Ca 0.08 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 2jqn s LEU 56 Cb -0.02 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2jqn s LEU 56 CO 0.48 0.16 0.08 -0.69 0.23 0.00 0.00 176.35 176.62 2jqn s VAL 57 N 0.37 4.97 -0.49 -1.59 1.01 0.52 -0.75 120.40 124.44 2jqn s VAL 57 Ca -0.09 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 2jqn s VAL 57 Cb -0.15 -3.24 0.08 0.00 0.00 0.00 0.00 36.38 33.07 2jqn s VAL 57 CO 0.05 0.47 0.44 -0.22 0.00 0.00 0.00 175.10 175.84 2jqn s LEU 58 N 0.25 5.69 -0.44 3.92 2.96 0.33 -1.39 118.68 130.01 2jqn s LEU 58 Ca 0.05 -1.39 -0.29 0.00 -0.22 0.00 0.00 54.13 52.28 2jqn s LEU 58 Cb -0.12 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.37 2jqn s LEU 58 CO -0.00 -0.72 1.34 -0.76 -1.32 0.00 0.00 176.35 174.89 2jqn s LEU 59 N 1.73 3.59 -0.33 -0.68 1.43 0.72 -0.78 118.68 124.36 2jqn s LEU 59 Ca 0.05 0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 53.74 2jqn s LEU 59 Cb -0.25 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 2jqn s LEU 59 CO 0.06 -1.41 0.21 0.00 0.23 0.00 0.00 176.35 175.45 2jqn s ALA 60 N 5.23 3.45 -0.06 4.21 0.00 0.09 -1.23 121.76 133.45 2jqn s ALA 60 Ca 0.58 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 51.21 2jqn s ALA 60 Cb -0.12 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.43 2jqn s ALA 60 CO 0.32 -0.92 -0.16 0.08 0.00 0.00 0.00 175.76 175.09 2jqn s VAL 61 N 1.70 1.40 -0.52 0.00 1.01 -0.61 -1.05 120.40 122.33 2jqn s VAL 61 Ca 0.06 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 2jqn s VAL 61 Cb -0.17 -1.24 0.06 0.00 0.00 0.00 0.00 36.38 35.03 2jqn s VAL 61 CO 0.09 0.41 0.71 -0.70 0.00 0.00 0.00 175.10 175.62 2jqn s GLU 62 N 0.39 3.17 -1.09 2.72 2.12 -1.26 -0.51 118.70 124.24 2jqn s GLU 62 Ca -0.12 -0.75 -0.17 0.00 0.36 0.00 0.00 54.97 54.29 2jqn s GLU 62 Cb -0.15 -4.09 0.13 0.00 0.26 0.00 0.00 34.13 30.28 2jqn s GLU 62 CO 0.04 -1.31 1.35 0.00 -0.54 0.00 0.00 175.26 174.81 2jqn s ALA 63 N 2.98 3.56 -0.06 6.30 0.00 0.05 -4.83 121.76 129.76 2jqn s ALA 63 Ca 0.19 -2.98 -0.22 0.00 0.00 0.00 0.00 51.96 48.95 2jqn s ALA 63 Cb -0.18 -4.20 -0.31 0.00 0.00 0.00 0.00 23.12 18.44 2jqn s ALA 63 CO 0.13 -2.99 0.86 0.93 0.00 0.00 0.00 175.76 174.69 2jqn h GLU 64 N 8.10 0.28 0.31 0.00 5.08 -1.95 -3.39 114.58 123.01 2jqn h GLU 64 Ca 0.26 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2jqn h GLU 64 Cb 0.94 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2jqn h GLU 64 CO 1.23 1.23 -0.40 -1.00 -1.00 0.00 0.00 179.01 179.07 2jqn h PRO 65 N -0.40 -0.71 -1.77 2.33 0.13 -2.00 -3.46 132.00 126.12 2jqn h PRO 65 Ca -0.15 0.05 -0.37 0.00 -0.87 0.00 0.00 66.00 64.66 2jqn h PRO 65 Cb 1.62 0.16 -0.11 0.00 0.13 0.00 0.00 31.00 32.80 2jqn h PRO 65 CO 0.13 -0.47 -0.37 -0.11 -0.23 0.00 0.00 178.00 176.95 2jqn n LEU 66 N -4.81 -1.42 0.00 1.56 7.94 -1.26 -4.86 117.00 114.15 2jqn n LEU 66 Ca -0.09 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 2jqn n LEU 66 Cb 0.35 -2.58 0.00 0.00 0.53 0.00 0.00 43.42 41.72 2jqn n LEU 66 CO 0.18 -0.72 0.00 0.61 -1.11 0.00 0.00 177.39 176.35 2jqn n GLY 67 N -0.51 0.31 1.05 -3.96 0.00 -1.26 -4.67 105.19 96.15 2jqn n GLY 67 Ca -0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.80 2.40 -0.04 1.61 -0.58 -1.26 -4.59 120.64 117.37 2jqn n GLU 68 Ca 0.00 -2.20 -0.03 0.00 -0.42 0.00 0.00 57.16 54.51 2jqn n GLU 68 Cb 0.00 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.39 2jqn n GLU 68 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2jqn n ASP 69 N 1.33 1.07 -4.70 1.62 5.75 -1.26 -4.87 116.55 115.50 2jqn n ASP 69 Ca 0.18 0.40 -0.31 0.00 -0.01 0.00 0.00 54.79 55.05 2jqn n ASP 69 Cb 0.56 -0.70 -0.08 0.00 -1.03 0.00 0.00 41.12 39.87 2jqn n ASP 69 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jqn s LEU 70 N -6.68 3.53 -0.29 -2.12 2.96 -1.26 -3.31 118.68 111.51 2jqn s LEU 70 Ca -0.11 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2jqn s LEU 70 Cb 0.01 -2.16 0.10 0.00 0.50 0.00 0.00 46.19 44.64 2jqn s LEU 70 CO 0.16 0.22 0.11 -0.75 -1.32 0.00 0.00 176.35 174.77 2jqn s LYS 71 N -1.99 0.41 -0.10 1.98 2.20 0.57 -4.48 119.74 118.32 2jqn s LYS 71 Ca 0.24 -0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 54.84 2jqn s LYS 71 Cb -0.12 -1.56 -0.04 0.00 -1.51 0.00 0.00 37.83 34.61 2jqn s LYS 71 CO 0.15 -0.97 1.50 -1.58 -0.36 0.00 0.00 175.35 174.09 2jqn s TRP 72 N 1.90 2.32 -0.15 4.03 0.52 -1.26 -0.67 118.94 125.63 2jqn s TRP 72 Ca 0.08 0.52 -0.25 0.00 0.02 0.00 0.00 56.10 56.47 2jqn s TRP 72 Cb -0.17 -3.76 0.06 0.00 -1.15 0.00 0.00 33.47 28.46 2jqn s TRP 72 CO -0.30 -2.99 0.64 -2.00 0.02 0.00 0.00 176.95 172.33 2jqn s GLU 73 N 3.85 0.87 0.08 4.98 2.12 -0.97 -4.97 118.70 124.66 2jqn s GLU 73 Ca 0.66 0.58 -0.12 0.00 0.36 0.00 0.00 54.97 56.45 2jqn s GLU 73 Cb -0.28 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.54 2jqn s GLU 73 CO 0.24 -0.19 0.28 0.00 -0.54 0.00 0.00 175.26 175.04 2jqn s ALA 74 N -0.38 -0.55 -0.22 6.30 0.00 -1.26 -1.52 121.76 124.14 2jqn s ALA 74 Ca -0.05 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 2jqn s ALA 74 Cb -0.03 0.47 0.08 0.00 0.00 0.00 0.00 23.12 23.64 2jqn s ALA 74 CO 0.05 -0.50 0.51 -1.12 0.00 0.00 0.00 175.76 174.69 2jqn s SER 75 N -2.55 -0.64 0.00 0.00 0.01 -1.26 -4.98 113.70 104.27 2jqn s SER 75 Ca 0.01 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.42 2jqn s SER 75 Cb 0.02 1.23 0.00 0.00 0.21 0.00 0.00 66.02 67.48 2jqn s SER 75 CO -0.08 -0.22 0.00 0.54 0.41 0.00 0.00 173.24 173.89 2jqn n ARG 76 N 4.65 0.00 0.18 12.44 3.00 -1.26 -4.39 116.66 131.28 2jqn n ARG 76 Ca -0.18 0.00 0.12 0.00 -0.01 0.00 0.00 57.85 57.78 2jqn n ARG 76 Cb 0.54 0.00 0.64 0.00 0.00 0.00 0.00 32.46 33.65 2jqn n ARG 76 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2jqn h GLY 77 N 0.00 0.00 0.00 -0.13 0.00 -2.03 -3.45 103.07 97.46 2jqn h GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jqn h GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2jqn n GLY 78 N -1.12 1.20 3.75 4.60 0.00 -1.26 -4.95 105.19 107.41 2jqn n GLY 78 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.75 -0.45 4.61 0.00 -1.26 -4.92 121.76 123.49 2jqn s ALA 79 Ca 0.00 1.56 -0.29 0.00 0.00 0.00 0.00 51.96 53.23 2jqn s ALA 79 Cb 0.00 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.50 2jqn s ALA 79 CO 0.00 -0.97 1.18 1.03 0.00 0.00 0.00 175.76 177.00 2jqn s ARG 80 N -0.41 3.74 -0.31 0.00 0.52 -1.26 -4.65 118.95 116.59 2jqn s ARG 80 Ca 0.64 0.70 -0.16 0.00 -0.52 0.00 0.00 55.73 56.38 2jqn s ARG 80 Cb -0.48 -3.91 -0.02 0.00 0.52 0.00 0.00 34.95 31.07 2jqn s ARG 80 CO 0.47 -1.35 0.42 -0.06 0.02 0.00 0.00 175.30 174.79 2jqn s PHE 81 N 4.52 3.22 -0.52 -0.53 0.08 -0.58 -4.76 117.98 119.43 2jqn s PHE 81 Ca 0.50 0.28 -0.27 0.00 0.12 0.00 0.00 56.93 57.56 2jqn s PHE 81 Cb -0.09 -2.70 -0.03 0.00 -0.57 0.00 0.00 43.02 39.63 2jqn s PHE 81 CO 0.30 -0.36 1.99 -2.14 -0.10 0.00 0.00 175.22 174.91 2jqn s PRO 82 N 2.17 2.65 -0.34 0.24 0.02 -1.26 -2.30 135.00 136.17 2jqn s PRO 82 Ca 0.16 1.00 -0.20 0.00 0.02 0.00 0.00 61.00 61.98 2jqn s PRO 82 Cb -0.16 -4.40 -0.00 0.00 0.02 0.00 0.00 34.50 29.96 2jqn s PRO 82 CO 0.11 -2.68 0.62 -1.01 -0.33 0.00 0.00 177.00 173.71 2jqn s HIS 83 N 9.40 3.17 -0.17 6.54 3.76 0.15 -2.55 115.29 135.59 2jqn s HIS 83 Ca 0.78 0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 56.02 2jqn s HIS 83 Cb -0.16 -3.08 -0.04 0.00 1.11 0.00 0.00 32.58 30.41 2jqn s HIS 83 CO 0.25 -0.58 0.03 -1.17 -0.85 0.00 0.00 174.74 172.42 2jqn s LEU 84 N 2.66 3.66 -0.43 0.89 2.96 -0.85 -0.32 118.68 127.24 2jqn s LEU 84 Ca 0.24 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.23 2jqn s LEU 84 Cb -0.15 -1.91 0.48 0.00 0.50 0.00 0.00 46.19 45.11 2jqn s LEU 84 CO 0.14 0.19 1.59 -1.22 -1.32 0.00 0.00 176.35 175.72 2jqn n TYR 85 N 3.44 2.55 -3.64 5.38 4.02 -1.21 -0.33 117.16 127.37 2jqn n TYR 85 Ca -0.17 -2.34 -0.08 0.00 -0.01 0.00 0.00 57.90 55.29 2jqn n TYR 85 Cb 0.52 -0.80 -0.07 0.00 -0.02 0.00 0.00 39.34 38.98 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 -3.58 0.51 0.61 -0.72 1.70 -1.26 -5.03 118.95 111.17 2jqn s ARG 86 Ca 0.55 0.65 -0.19 0.00 -0.47 0.00 0.00 55.73 56.26 2jqn s ARG 86 Cb 0.45 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 35.03 2jqn s ARG 86 CO 0.02 -0.07 1.27 -2.14 -1.08 0.00 0.00 175.30 173.30 2jqn s PRO 87 N 0.42 2.84 -0.25 3.89 0.02 -1.26 -4.95 135.00 135.71 2jqn s PRO 87 Ca 0.01 1.99 -0.06 0.00 0.02 0.00 0.00 61.00 62.97 2jqn s PRO 87 Cb -0.05 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 2jqn s PRO 87 CO -0.07 -1.36 0.03 -1.17 -0.33 0.00 0.00 177.00 174.10 2jqn s LEU 88 N -4.08 3.34 0.21 -5.54 0.20 -0.77 -4.97 118.68 107.07 2jqn s LEU 88 Ca 0.78 -0.42 -0.30 0.00 0.69 0.00 0.00 54.13 54.89 2jqn s LEU 88 Cb -0.35 -1.84 -0.09 0.00 -0.43 0.00 0.00 46.19 43.48 2jqn s LEU 88 CO 0.38 -0.07 1.25 -0.76 -0.29 0.00 0.00 176.35 176.86 2jqn s LEU 89 N 1.53 4.44 0.39 -0.68 1.43 -1.26 -0.33 118.68 124.19 2jqn s LEU 89 Ca 0.05 2.35 0.08 0.00 -1.03 0.00 0.00 54.13 55.57 2jqn s LEU 89 Cb -0.15 -3.61 0.83 0.00 0.03 0.00 0.00 46.19 43.28 2jqn s LEU 89 CO 0.01 -0.43 1.99 -0.37 0.23 0.00 0.00 176.35 177.77 2jqn h VAL 90 N 3.64 1.02 0.00 -1.59 -1.51 -1.75 0.76 116.25 116.81 2jqn h VAL 90 Ca -0.45 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 2jqn h VAL 90 Cb 1.21 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 2jqn h VAL 90 CO 0.74 0.12 0.00 -0.24 -1.23 0.00 0.00 177.57 176.96 2jqn n SER 91 N -4.47 0.00 0.00 4.19 2.88 -1.26 -2.46 113.62 112.50 2jqn n SER 91 Ca 0.09 -0.20 0.11 0.00 -1.33 0.00 0.00 58.87 57.53 2jqn n SER 91 Cb 0.22 -0.19 -0.06 0.00 -0.75 0.00 0.00 64.21 63.43 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 -1.19 0.12 -2.02 -1.46 4.07 0.26 -4.94 120.64 115.48 2jqn n GLU 92 Ca 0.11 -0.03 -0.42 0.00 -0.06 0.00 0.00 57.16 56.76 2jqn n GLU 92 Cb 0.12 -1.52 -0.03 0.00 -0.06 0.00 0.00 31.44 29.96 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 -3.09 3.26 0.28 6.31 1.01 -1.03 -4.91 120.40 122.24 2jqn s VAL 93 Ca 0.06 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 2jqn s VAL 93 Cb 0.16 -3.43 0.26 0.00 0.00 0.00 0.00 36.38 33.37 2jqn s VAL 93 CO 0.85 -0.01 1.95 0.74 0.00 0.00 0.00 175.10 178.63 2jqn h THR 94 N 4.88 1.21 -1.96 3.92 2.02 -1.72 -3.44 112.91 117.82 2jqn h THR 94 Ca -0.41 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 2jqn h THR 94 Cb 1.19 -0.09 -0.21 0.00 -1.74 0.00 0.00 68.15 67.31 2jqn h THR 94 CO 0.92 0.22 0.18 -0.60 0.37 0.00 0.00 175.52 176.61 2jqn s ARG 95 N -5.99 0.87 -0.88 6.66 3.52 -0.22 -5.01 118.95 117.91 2jqn s ARG 95 Ca -0.12 0.74 -0.06 0.00 -0.13 0.00 0.00 55.73 56.16 2jqn s ARG 95 Cb 0.18 0.42 0.22 0.00 -1.56 0.00 0.00 34.95 34.21 2jqn s ARG 95 CO 0.80 -0.16 0.78 -1.83 -0.81 0.00 0.00 175.30 174.08 2jqn s GLU 96 N -0.12 3.40 -1.12 5.12 -1.05 -1.26 -0.73 118.70 122.94 2jqn s GLU 96 Ca -0.03 -2.97 -0.22 0.00 -0.15 0.00 0.00 54.97 51.60 2jqn s GLU 96 Cb -0.03 -4.13 -0.01 0.00 -0.44 0.00 0.00 34.13 29.52 2jqn s GLU 96 CO 0.03 -1.25 1.79 0.00 0.95 0.00 0.00 175.26 176.78 2jqn s ALA 97 N -0.81 2.36 -0.54 -0.84 0.00 0.04 -4.78 121.76 117.19 2jqn s ALA 97 Ca 0.24 -2.24 -0.27 0.00 0.00 0.00 0.00 51.96 49.69 2jqn s ALA 97 Cb -0.11 -4.61 -0.02 0.00 0.00 0.00 0.00 23.12 18.37 2jqn s ALA 97 CO -0.09 -4.29 1.87 0.34 0.00 0.00 0.00 175.76 173.58 2jqn s ASP 98 N 5.92 5.37 0.39 0.00 -1.08 -1.26 -0.51 116.67 125.50 2jqn s ASP 98 Ca 0.60 0.58 0.08 0.00 -0.52 0.00 0.00 52.55 53.29 2jqn s ASP 98 Cb -0.01 -2.53 -0.06 0.00 -1.46 0.00 0.00 42.92 38.87 2jqn s ASP 98 CO 0.04 -2.25 0.08 -1.48 0.52 0.00 0.00 175.17 172.08 2jqn s LEU 99 N 8.72 3.01 0.46 -1.34 0.05 0.07 -4.98 118.68 124.66 2jqn s LEU 99 Ca 0.71 -1.13 0.03 0.00 0.05 0.00 0.00 54.13 53.79 2jqn s LEU 99 Cb -0.15 -1.27 -0.03 0.00 -2.05 0.00 0.00 46.19 42.69 2jqn s LEU 99 CO 0.24 -0.42 0.04 -1.81 -0.55 0.00 0.00 176.35 173.84 2jqn s ASP 100 N -3.80 3.65 0.38 1.48 1.01 -1.26 -3.11 116.67 115.03 2jqn s ASP 100 Ca 0.38 -1.59 -0.14 0.00 0.71 0.00 0.00 52.55 51.91 2jqn s ASP 100 Cb 0.04 0.30 0.05 0.00 1.01 0.00 0.00 42.92 44.33 2jqn s ASP 100 CO 0.20 -0.78 0.76 -1.48 0.21 0.00 0.00 175.17 174.09 2jqn s LEU 101 N -3.76 0.12 0.42 1.23 2.34 -1.26 -4.55 118.68 113.22 2jqn s LEU 101 Ca 0.17 -1.20 0.07 0.00 0.06 0.00 0.00 54.13 53.24 2jqn s LEU 101 Cb 0.04 2.71 -0.05 0.00 -0.56 0.00 0.00 46.19 48.33 2jqn s LEU 101 CO 0.09 -1.66 0.18 1.51 -1.06 0.00 0.00 176.35 175.41 2jqn s ASP 102 N -3.09 4.43 -0.69 1.48 -4.77 -1.26 -4.97 116.67 107.79 2jqn s ASP 102 Ca 0.17 -1.09 -0.25 0.00 -3.30 0.00 0.00 52.55 48.08 2jqn s ASP 102 Cb -0.05 -0.45 -0.12 0.00 -1.09 0.00 0.00 42.92 41.21 2jqn s ASP 102 CO 0.13 -0.56 2.42 0.00 0.70 0.00 0.00 175.17 177.85 2jqn n ALA 103 N -1.25 0.53 -0.15 2.11 0.00 -1.26 -1.21 120.51 119.28 2jqn n ALA 103 Ca -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.25 2jqn n ALA 103 Cb 0.65 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.89 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 17.05 0.00 -0.37 0.00 2.03 -1.26 -4.85 116.55 129.15 2jqn n ASP 104 Ca 0.44 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.73 2jqn n ASP 104 Cb 0.45 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.97 2jqn n ASP 104 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2jqn h GLY 105 N 0.00 1.40 -2.61 0.27 0.00 -1.48 -3.49 103.07 97.16 2jqn h GLY 105 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2jqn h GLY 105 CO 0.00 0.52 -0.64 -0.62 0.00 0.00 0.00 176.54 175.80 2jqn n VAL 106 N -4.38 -3.83 -1.09 4.60 0.31 -1.14 -4.66 118.33 108.14 2jqn n VAL 106 Ca 0.12 1.62 -0.33 0.00 -0.01 0.00 0.00 64.34 65.73 2jqn n VAL 106 Cb 0.02 -2.27 -0.11 0.00 -0.91 0.00 0.00 33.84 30.58 2jqn n VAL 106 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2jqn n PRO 107 N -1.07 0.00 -2.10 5.55 -0.02 -1.26 -4.72 135.00 131.38 2jqn n PRO 107 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 2jqn n PRO 107 Cb 0.04 -1.13 -0.06 0.00 -0.02 0.00 0.00 33.50 32.33 2jqn n PRO 107 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2jqn s GLN 108 N 6.34 2.58 0.33 -0.52 1.11 -1.26 -4.69 119.66 123.56 2jqn s GLN 108 Ca 1.00 -1.22 0.18 0.00 0.01 0.00 0.00 55.36 55.33 2jqn s GLN 108 Cb -0.98 -5.26 0.20 0.00 -1.01 0.00 0.00 33.01 25.96 2jqn s GLN 108 CO 0.39 -3.88 1.52 -0.07 0.01 0.00 0.00 175.29 173.26 2jqn h LEU 109 N 17.43 0.00 -0.94 2.90 4.07 -1.95 -3.34 115.31 133.48 2jqn h LEU 109 Ca 0.23 0.00 0.22 0.00 0.08 0.00 0.00 57.88 58.42 2jqn h LEU 109 Cb 0.93 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.55 2jqn h LEU 109 CO 1.24 0.35 0.49 1.23 -1.08 0.00 0.00 178.44 180.66 2jqn h GLY 110 N 3.53 1.69 2.00 0.83 0.00 -1.92 0.50 103.07 109.69 2jqn h GLY 110 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2jqn h GLY 110 CO 0.04 -0.24 0.00 1.22 0.00 0.00 0.00 176.54 177.57 2jqn n ASP 111 N -4.96 0.61 0.01 0.19 9.92 -1.25 -3.11 116.55 117.96 2jqn n ASP 111 Ca 0.24 0.57 0.11 0.00 -0.53 0.00 0.00 54.79 55.18 2jqn n ASP 111 Cb 0.67 -0.73 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 2jqn n ASP 111 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2jqn n HIS 112 N -2.09 0.14 -4.13 1.24 8.25 0.16 -4.93 115.22 113.87 2jqn n HIS 112 Ca 0.05 0.04 -0.23 0.00 -0.26 0.00 0.00 57.72 57.33 2jqn n HIS 112 Cb 0.37 -0.30 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 2jqn n HIS 112 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jqn s LEU 113 N -3.59 3.38 0.00 2.41 1.43 -0.15 -4.90 118.68 117.26 2jqn s LEU 113 Ca 0.05 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2jqn s LEU 113 Cb 0.15 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2jqn s LEU 113 CO 0.81 -0.17 0.00 0.00 0.23 0.00 0.00 176.35 177.22 2jqn n ALA 114 N -1.11 0.00 -2.26 4.21 0.00 -1.26 -4.83 120.51 115.26 2jqn n ALA 114 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.08 2jqn n ALA 114 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 2jqn n ALA 114 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jqn s LEU 115 N 0.00 4.00 0.00 0.00 2.96 -1.26 -5.23 118.68 119.15 2jqn s LEU 115 Ca 0.00 1.07 0.32 0.00 -0.22 0.00 0.00 54.13 55.30 2jqn s LEU 115 Cb 0.00 -3.90 1.90 0.00 0.50 0.00 0.00 46.19 44.69 2jqn s LEU 115 CO 0.00 -0.24 2.22 -0.62 -1.32 0.00 0.00 176.35 176.39