#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex s ILE 2 N 0.00 2.81 0.08 -0.61 -4.36 -1.26 -5.14 121.20 112.73 2qex s ILE 2 Ca 0.00 -0.94 0.02 0.00 -0.26 0.00 0.00 60.65 59.47 2qex s ILE 2 Cb 0.00 -2.87 -0.04 0.00 1.25 0.00 0.00 42.46 40.80 2qex s ILE 2 CO 0.00 0.00 -0.08 -0.44 0.24 0.00 0.00 174.94 174.66 2qex s SER 3 N -4.41 1.17 -0.04 4.36 0.01 -1.26 -5.11 113.70 108.42 2qex s SER 3 Ca 0.57 -0.83 -0.31 0.00 1.31 0.00 0.00 55.95 56.68 2qex s SER 3 Cb -0.09 0.05 -0.09 0.00 0.21 0.00 0.00 66.02 66.10 2qex s SER 3 CO 0.35 -0.34 2.00 -1.22 0.41 0.00 0.00 173.24 174.44 2qex n TYR 4 N 0.51 2.37 1.02 2.43 4.02 -1.26 -4.88 117.16 121.37 2qex n TYR 4 Ca -0.16 -0.24 0.12 0.00 -0.01 0.00 0.00 57.90 57.61 2qex n TYR 4 Cb 0.58 -2.75 0.58 0.00 -0.02 0.00 0.00 39.34 37.73 2qex n TYR 4 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2qex n SER 5 N 8.02 0.00 -4.23 7.72 3.41 -1.26 -4.79 113.62 122.49 2qex n SER 5 Ca 0.23 0.21 -0.20 0.00 -0.26 0.00 0.00 58.87 58.84 2qex n SER 5 Cb 0.38 -0.39 -0.12 0.00 -0.26 0.00 0.00 64.21 63.82 2qex n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qex s VAL 6 N -2.78 1.39 0.31 -3.33 1.01 -1.26 -5.14 120.40 110.60 2qex s VAL 6 Ca 0.18 -1.48 -0.27 0.00 0.00 0.00 0.00 61.98 60.41 2qex s VAL 6 Cb 0.16 -1.35 -0.10 0.00 0.00 0.00 0.00 36.38 35.10 2qex s VAL 6 CO 0.41 -0.20 0.96 -1.61 0.00 0.00 0.00 175.10 174.67 2qex s GLU 7 N -1.99 4.60 -0.04 2.72 2.02 -1.26 -5.07 118.70 119.68 2qex s GLU 7 Ca 0.03 1.40 -0.00 0.00 0.02 0.00 0.00 54.97 56.42 2qex s GLU 7 Cb -0.09 -2.89 0.03 0.00 0.10 0.00 0.00 34.13 31.28 2qex s GLU 7 CO 0.03 0.29 -0.00 0.00 0.02 0.00 0.00 175.26 175.60 2qex s ALA 8 N -1.52 0.46 -0.25 5.21 0.00 -1.26 -5.12 121.76 119.29 2qex s ALA 8 Ca 0.49 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.22 2qex s ALA 8 Cb -0.21 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 2qex s ALA 8 CO 0.26 -0.19 1.23 0.34 0.00 0.00 0.00 175.76 177.40 2qex s ASP 9 N 1.33 6.85 0.42 0.00 -1.08 -1.26 -4.94 116.67 117.99 2qex s ASP 9 Ca -0.05 1.37 0.11 0.00 -0.52 0.00 0.00 52.55 53.46 2qex s ASP 9 Cb -0.13 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.74 2qex s ASP 9 CO -0.02 -0.90 2.00 1.55 0.52 0.00 0.00 175.17 178.32 2qex h PRO 10 N 8.54 0.47 0.00 4.34 0.13 -2.00 -2.00 132.00 141.49 2qex h PRO 10 Ca -0.25 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 2qex h PRO 10 Cb 1.09 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 2qex h PRO 10 CO 1.01 0.31 -0.08 -0.44 -0.23 0.00 0.00 178.00 178.57 2qex h ASP 11 N 0.49 0.00 -0.07 1.44 3.32 -2.04 -3.29 116.42 116.27 2qex h ASP 11 Ca 0.25 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 2qex h ASP 11 Cb 0.35 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.62 2qex h ASP 11 CO -0.07 0.08 -0.89 0.35 -1.72 0.00 0.00 179.24 176.99 2qex n THR 12 N -3.20 0.86 -3.54 0.35 -2.24 -0.93 -5.08 114.28 100.49 2qex n THR 12 Ca 0.01 -1.96 -0.16 0.00 -2.27 0.00 0.00 64.05 59.66 2qex n THR 12 Cb 0.36 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 2qex n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2qex s THR 13 N -1.48 0.01 -0.02 4.28 2.01 -0.80 -2.68 115.64 116.96 2qex s THR 13 Ca 0.35 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.30 2qex s THR 13 Cb 0.38 -0.96 -0.00 0.00 0.01 0.00 0.00 72.50 71.93 2qex s THR 13 CO -0.12 -0.05 -0.13 0.00 -0.69 0.00 0.00 174.62 173.63 2qex s ALA 14 N -1.63 1.14 0.33 7.40 0.00 -0.64 -4.69 121.76 123.66 2qex s ALA 14 Ca -0.09 -0.52 0.07 0.00 0.00 0.00 0.00 51.96 51.42 2qex s ALA 14 Cb -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2qex s ALA 14 CO 0.05 0.23 0.33 0.15 0.00 0.00 0.00 175.76 176.52 2qex s LYS 15 N -0.05 2.82 -0.28 0.00 1.02 -1.26 -0.48 119.74 121.51 2qex s LYS 15 Ca -0.00 -1.22 -0.25 0.00 0.02 0.00 0.00 55.97 54.52 2qex s LYS 15 Cb -0.08 -2.55 0.13 0.00 -0.52 0.00 0.00 37.83 34.80 2qex s LYS 15 CO 0.00 0.10 1.07 0.00 -0.92 0.00 0.00 175.35 175.61 2qex s ALA 16 N -2.27 -2.01 0.04 5.17 0.00 -0.86 -4.72 121.76 117.12 2qex s ALA 16 Ca 0.41 1.87 -0.01 0.00 0.00 0.00 0.00 51.96 54.23 2qex s ALA 16 Cb -0.07 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 2qex s ALA 16 CO 0.27 -0.23 -0.02 -1.64 0.00 0.00 0.00 175.76 174.15 2qex s MET 17 N 0.25 0.54 -0.03 0.00 -1.94 -1.26 -1.07 119.30 115.79 2qex s MET 17 Ca 0.03 -1.05 0.06 0.00 -1.71 0.00 0.00 55.69 53.02 2qex s MET 17 Cb -0.05 0.19 -0.01 0.00 2.01 0.00 0.00 34.83 36.97 2qex s MET 17 CO -0.07 -0.10 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.12 2qex s LEU 18 N -2.53 2.01 -0.07 -0.03 1.43 -0.80 -4.98 118.68 113.72 2qex s LEU 18 Ca 0.01 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 2qex s LEU 18 Cb 0.03 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 2qex s LEU 18 CO -0.08 0.22 -0.20 -0.13 0.23 0.00 0.00 176.35 176.40 2qex s ARG 19 N -0.29 2.66 -1.66 1.70 1.81 -1.26 -2.51 118.95 119.39 2qex s ARG 19 Ca 0.03 -0.81 -0.14 0.00 -1.72 0.00 0.00 55.73 53.09 2qex s ARG 19 Cb -0.10 -2.30 0.14 0.00 -0.45 0.00 0.00 34.95 32.24 2qex s ARG 19 CO 0.01 0.43 0.34 0.39 -0.68 0.00 0.00 175.30 175.79 2qex n GLU 20 N 2.84 -0.81 -2.30 3.54 1.02 -1.18 -4.89 120.64 118.86 2qex n GLU 20 Ca -0.17 0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 2qex n GLU 20 Cb 0.52 -4.05 -0.03 0.00 -0.02 0.00 0.00 31.44 27.87 2qex n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2qex s ARG 21 N -7.03 4.27 -0.97 3.49 1.81 0.32 -4.54 118.95 116.30 2qex s ARG 21 Ca 0.48 1.84 -0.24 0.00 -1.72 0.00 0.00 55.73 56.09 2qex s ARG 21 Cb -0.28 -3.69 0.04 0.00 -0.45 0.00 0.00 34.95 30.57 2qex s ARG 21 CO 0.97 -0.63 1.43 -0.65 -0.68 0.00 0.00 175.30 175.74 2qex s GLN 22 N 2.96 3.50 0.27 3.54 -0.21 -1.26 -1.08 119.66 127.38 2qex s GLN 22 Ca 0.61 -0.95 -0.20 0.00 0.02 0.00 0.00 55.36 54.83 2qex s GLN 22 Cb -0.27 -5.15 0.02 0.00 1.00 0.00 0.00 33.01 28.61 2qex s GLN 22 CO 0.22 -2.22 0.70 0.00 -2.12 0.00 0.00 175.29 171.87 2qex s MET 23 N 5.15 1.75 0.12 2.91 0.23 -1.25 -5.02 119.30 123.20 2qex s MET 23 Ca 0.45 -0.99 -0.31 0.00 -1.03 0.00 0.00 55.69 53.80 2qex s MET 23 Cb -0.02 0.60 -0.10 0.00 -1.53 0.00 0.00 34.83 33.79 2qex s MET 23 CO -0.06 -0.80 1.69 0.45 -2.03 0.00 0.00 175.02 174.27 2qex s SER 24 N -2.92 6.53 0.13 -1.18 0.15 -1.26 -4.53 113.70 110.62 2qex s SER 24 Ca 0.12 2.62 -0.06 0.00 0.70 0.00 0.00 55.95 59.33 2qex s SER 24 Cb -0.05 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.60 2qex s SER 24 CO 0.07 -0.91 1.32 0.15 1.20 0.00 0.00 173.24 175.07 2qex h PHE 25 N 7.92 0.72 -0.26 3.44 3.57 -1.95 -2.64 116.94 127.75 2qex h PHE 25 Ca -0.44 -0.36 -0.07 0.00 3.53 0.00 0.00 57.97 60.63 2qex h PHE 25 Cb 1.21 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2qex h PHE 25 CO 0.74 1.17 -0.14 0.87 -2.23 0.00 0.00 178.31 178.72 2qex h LYS 26 N 0.31 0.44 -0.01 1.11 1.57 -2.01 -2.00 116.57 115.98 2qex h LYS 26 Ca -0.07 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 2qex h LYS 26 Cb 1.50 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 2qex h LYS 26 CO 0.16 0.58 -0.71 0.45 -0.57 0.00 0.00 179.45 179.36 2qex h HIS 27 N 0.41 0.07 -0.28 -1.35 3.86 -1.94 -3.18 115.15 112.73 2qex h HIS 27 Ca 0.08 -0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.12 2qex h HIS 27 Cb 0.49 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2qex h HIS 27 CO 0.01 0.74 -0.37 0.77 0.86 0.00 0.00 177.93 179.95 2qex h SER 28 N 0.03 0.68 -0.47 2.45 0.02 -1.00 -2.62 113.55 112.64 2qex h SER 28 Ca -0.01 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.62 2qex h SER 28 Cb 1.25 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 2qex h SER 28 CO 0.10 0.98 0.17 0.11 -1.14 0.00 0.00 176.83 177.05 2qex h LYS 29 N 0.54 0.72 -0.92 3.45 1.57 -1.45 -2.41 116.57 118.07 2qex h LYS 29 Ca 0.05 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2qex h LYS 29 Cb 0.88 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.03 2qex h LYS 29 CO 0.08 0.66 0.60 0.00 -0.57 0.00 0.00 179.45 180.22 2qex h ALA 30 N 1.02 1.19 0.02 3.86 0.00 -1.52 -2.34 119.26 121.50 2qex h ALA 30 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qex h ALA 30 Cb 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2qex h ALA 30 CO -0.01 0.52 -0.01 0.82 0.00 0.00 0.00 179.25 180.57 2qex h ILE 31 N 1.20 1.38 0.29 0.00 2.04 -1.34 -2.94 117.51 118.14 2qex h ILE 31 Ca 0.35 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2qex h ILE 31 Cb -0.07 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 2qex h ILE 31 CO -0.10 0.32 -0.29 0.00 0.00 0.00 0.00 178.15 178.09 2qex h ALA 32 N 0.39 -0.61 -0.96 1.87 0.00 -1.41 -1.44 119.26 117.11 2qex h ALA 32 Ca -0.00 -0.09 0.29 0.00 0.00 0.00 0.00 54.91 55.11 2qex h ALA 32 Cb 0.55 0.41 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 2qex h ALA 32 CO 0.00 -0.87 0.45 -0.09 0.00 0.00 0.00 179.25 178.74 2qex h ARG 33 N -0.61 0.27 -0.12 0.00 2.43 -1.52 -0.83 114.38 114.00 2qex h ARG 33 Ca -0.01 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.92 2qex h ARG 33 Cb 0.56 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2qex h ARG 33 CO -0.06 0.18 -0.81 1.49 -1.51 0.00 0.00 179.97 179.26 2qex h GLU 34 N 0.28 0.72 -0.01 0.20 4.57 -1.17 -3.30 114.58 115.88 2qex h GLU 34 Ca 0.67 -0.61 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2qex h GLU 34 Cb 1.48 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.21 2qex h GLU 34 CO -0.63 1.22 -0.29 0.44 -1.18 0.00 0.00 179.01 178.57 2qex n ILE 35 N -3.91 0.00 -1.77 2.32 -5.35 -0.42 -4.89 119.36 105.34 2qex n ILE 35 Ca -0.07 -0.13 -0.42 0.00 -0.27 0.00 0.00 62.75 61.86 2qex n ILE 35 Cb 0.76 0.45 -0.03 0.00 -1.74 0.00 0.00 39.64 39.08 2qex n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2qex s LYS 36 N -2.54 4.15 0.00 6.28 2.20 -0.59 -1.65 119.74 127.59 2qex s LYS 36 Ca 0.23 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.35 2qex s LYS 36 Cb 0.19 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 2qex s LYS 36 CO 0.54 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 2qex n GLY 37 N 4.31 0.72 3.88 5.54 0.00 -0.69 -5.03 105.19 113.92 2qex n GLY 37 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2qex n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qex s LYS 38 N -0.90 3.71 0.50 1.61 1.02 -0.66 -4.59 119.74 120.43 2qex s LYS 38 Ca 0.00 0.48 -0.21 0.00 0.02 0.00 0.00 55.97 56.27 2qex s LYS 38 Cb 0.00 -2.32 -0.07 0.00 -0.52 0.00 0.00 37.83 34.92 2qex s LYS 38 CO 0.00 -0.18 1.10 0.99 -0.92 0.00 0.00 175.35 176.35 2qex s THR 39 N -2.60 3.39 0.20 2.17 2.01 -1.26 -1.63 115.64 117.91 2qex s THR 39 Ca 0.51 0.90 -0.15 0.00 0.31 0.00 0.00 61.69 63.27 2qex s THR 39 Cb -0.10 -3.39 0.20 0.00 0.01 0.00 0.00 72.50 69.22 2qex s THR 39 CO 0.38 -0.15 1.63 0.00 -0.69 0.00 0.00 174.62 175.79 2qex h ALA 40 N 1.52 0.35 -0.39 7.40 0.00 -0.77 -0.46 119.26 126.91 2qex h ALA 40 Ca -0.50 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2qex h ALA 40 Cb 1.24 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2qex h ALA 40 CO 0.58 -0.45 -0.00 0.78 0.00 0.00 0.00 179.25 180.16 2qex h GLY 41 N -0.02 0.67 0.97 0.00 0.00 -1.67 -1.31 103.07 101.70 2qex h GLY 41 Ca 0.27 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2qex h GLY 41 CO -0.60 0.39 0.20 0.83 0.00 0.00 0.00 176.54 177.36 2qex h GLU 42 N 0.59 0.51 0.04 4.80 5.08 -1.44 -0.88 114.58 123.29 2qex h GLU 42 Ca 0.12 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2qex h GLU 42 Cb 0.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2qex h GLU 42 CO 0.01 0.42 -0.02 0.00 -1.00 0.00 0.00 179.01 178.42 2qex h ALA 43 N 1.06 -0.06 -0.40 3.43 0.00 -0.76 -0.31 119.26 122.23 2qex h ALA 43 Ca 0.13 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2qex h ALA 43 Cb 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2qex h ALA 43 CO -0.02 -0.52 0.10 0.28 0.00 0.00 0.00 179.25 179.09 2qex h VAL 44 N -0.09 0.82 -0.72 0.00 2.07 -1.10 0.19 116.25 117.42 2qex h VAL 44 Ca -0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2qex h VAL 44 Cb 0.08 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2qex h VAL 44 CO 0.01 0.04 0.37 0.44 0.02 0.00 0.00 177.57 178.46 2qex h ASP 45 N 0.24 0.92 0.88 0.57 3.32 -0.97 -2.42 116.42 118.95 2qex h ASP 45 Ca 0.19 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 2qex h ASP 45 Cb 0.21 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.54 2qex h ASP 45 CO -0.23 0.77 -0.42 0.22 -1.72 0.00 0.00 179.24 177.85 2qex h TYR 46 N 1.00 -1.10 -0.88 4.55 3.20 -0.22 -2.70 116.97 120.82 2qex h TYR 46 Ca 0.25 -0.03 0.23 0.00 3.14 0.00 0.00 58.73 62.32 2qex h TYR 46 Cb 0.07 0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 2qex h TYR 46 CO 0.00 -0.68 0.61 -0.07 -1.64 0.00 0.00 178.16 176.38 2qex h LEU 47 N -1.26 0.22 -0.47 2.82 3.38 -0.58 0.14 115.31 119.56 2qex h LEU 47 Ca -0.12 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 2qex h LEU 47 Cb 0.92 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2qex h LEU 47 CO 0.20 0.08 -0.75 -0.33 0.09 0.00 0.00 178.44 177.73 2qex h GLU 48 N 0.22 0.16 -0.08 1.13 5.08 -1.35 -2.18 114.58 117.56 2qex h GLU 48 Ca 0.44 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.56 2qex h GLU 48 Cb 1.40 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 2qex h GLU 48 CO -0.10 0.84 -0.42 0.00 -1.00 0.00 0.00 179.01 178.32 2qex h ALA 49 N 1.12 1.16 0.04 3.43 0.00 -0.40 -0.36 119.26 124.25 2qex h ALA 49 Ca -0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2qex h ALA 49 Cb 1.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2qex h ALA 49 CO 0.11 0.58 -0.02 0.28 0.00 0.00 0.00 179.25 180.20 2qex h VAL 50 N 0.14 1.22 -0.71 0.00 2.07 -1.23 0.28 116.25 118.02 2qex h VAL 50 Ca 0.01 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.69 2qex h VAL 50 Cb 0.80 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 2qex h VAL 50 CO 0.06 0.22 0.47 0.40 0.02 0.00 0.00 177.57 178.74 2qex h ILE 51 N -0.44 1.11 0.00 4.57 2.04 -1.15 0.23 117.51 123.86 2qex h ILE 51 Ca -0.01 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2qex h ILE 51 Cb 0.40 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2qex h ILE 51 CO 0.01 0.16 -0.15 -0.08 0.00 0.00 0.00 178.15 178.08 2qex h GLU 52 N 0.86 0.00 0.00 2.37 4.57 -0.95 -3.48 114.58 117.96 2qex h GLU 52 Ca 0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 2qex h GLU 52 Cb 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2qex h GLU 52 CO -0.08 0.15 0.00 0.41 -1.18 0.00 0.00 179.01 178.31 2qex n GLY 53 N 0.42 0.91 0.01 1.92 0.00 0.07 -4.97 105.19 103.54 2qex n GLY 53 Ca 0.01 -0.51 0.07 0.00 0.00 0.00 0.00 46.02 45.58 2qex n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qex n ASP 54 N 1.03 1.88 -3.89 1.61 8.00 0.84 -4.92 116.55 121.11 2qex n ASP 54 Ca 0.00 -0.06 -0.27 0.00 0.71 0.00 0.00 54.79 55.17 2qex n ASP 54 Cb 0.12 1.56 -0.17 0.00 -0.02 0.00 0.00 41.12 42.62 2qex n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2qex s GLN 55 N -2.87 1.41 0.37 -1.24 2.00 -0.91 -4.96 119.66 113.46 2qex s GLN 55 Ca -0.04 -0.39 -0.16 0.00 -2.00 0.00 0.00 55.36 52.76 2qex s GLN 55 Cb 0.09 -1.82 -0.09 0.00 0.80 0.00 0.00 33.01 31.99 2qex s GLN 55 CO 0.55 -0.37 0.82 -1.25 -0.50 0.00 0.00 175.29 174.53 2qex s PRO 56 N 1.68 4.04 -0.22 1.67 0.04 -1.26 -3.68 135.00 137.26 2qex s PRO 56 Ca 0.02 0.79 -0.09 0.00 0.04 0.00 0.00 61.00 61.77 2qex s PRO 56 Cb -0.14 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 2qex s PRO 56 CO -0.08 0.05 0.11 0.08 0.04 0.00 0.00 177.00 177.21 2qex s VAL 57 N -2.12 4.98 0.18 -0.36 1.01 0.46 -4.89 120.40 119.65 2qex s VAL 57 Ca 0.56 0.04 -0.32 0.00 0.00 0.00 0.00 61.98 62.27 2qex s VAL 57 Cb -0.10 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 32.87 2qex s VAL 57 CO 0.19 0.38 1.69 -2.84 0.00 0.00 0.00 175.10 174.51 2qex s PRO 58 N 0.94 4.15 -0.73 2.72 0.02 -1.26 -1.32 135.00 139.52 2qex s PRO 58 Ca 0.06 2.53 -0.05 0.00 0.02 0.00 0.00 61.00 63.55 2qex s PRO 58 Cb -0.13 -3.17 0.19 0.00 0.02 0.00 0.00 34.50 31.40 2qex s PRO 58 CO 0.03 -0.72 0.59 -0.06 -0.33 0.00 0.00 177.00 176.51 2qex s PHE 59 N 1.39 3.59 -0.19 6.54 2.99 -0.58 -4.83 117.98 126.89 2qex s PHE 59 Ca 0.74 -2.64 0.18 0.00 0.00 0.00 0.00 56.93 55.22 2qex s PHE 59 Cb -0.47 -3.35 -0.02 0.00 0.00 0.00 0.00 43.02 39.18 2qex s PHE 59 CO 0.32 -0.85 1.09 0.87 -0.00 0.00 0.00 175.22 176.65 2qex h LYS 60 N 6.96 0.00 0.00 0.44 1.57 -1.92 -3.41 116.57 120.20 2qex h LYS 60 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2qex h LYS 60 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 2qex h LYS 60 CO 0.75 0.24 -0.47 0.94 -0.57 0.00 0.00 179.45 180.34 2qex n GLN 61 N -2.93 0.25 -2.83 3.15 7.27 -1.26 -4.82 117.38 116.20 2qex n GLN 61 Ca -0.03 0.10 -0.44 0.00 0.07 0.00 0.00 57.00 56.70 2qex n GLN 61 Cb 0.72 -0.90 0.00 0.00 2.41 0.00 0.00 30.24 32.47 2qex n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2qex n HIS 62 N -3.78 4.53 -0.19 3.69 8.25 -1.26 -4.68 115.22 121.77 2qex n HIS 62 Ca -0.07 -3.25 0.01 0.00 -0.26 0.00 0.00 57.72 54.15 2qex n HIS 62 Cb 0.24 -2.11 0.01 0.00 1.12 0.00 0.00 29.99 29.25 2qex n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2qex n ASN 63 N 5.12 1.79 -4.62 0.41 0.23 -1.26 -4.97 115.26 111.96 2qex n ASN 63 Ca 0.37 -1.96 -0.46 0.00 -0.53 0.00 0.00 54.58 52.00 2qex n ASN 63 Cb 0.41 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 38.04 2qex n ASN 63 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2qex n SER 64 N -0.50 3.31 0.00 0.53 3.41 -1.26 -1.25 113.62 117.86 2qex n SER 64 Ca 0.01 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 2qex n SER 64 Cb 0.30 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 2qex n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qex n GLY 65 N 5.17 2.35 3.77 5.00 0.00 -1.26 -5.04 105.19 115.19 2qex n GLY 65 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 2qex n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qex s VAL 66 N -2.27 2.49 0.26 1.61 1.01 -0.38 -5.00 120.40 118.11 2qex s VAL 66 Ca 0.00 0.46 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 2qex s VAL 66 Cb 0.00 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 2qex s VAL 66 CO 0.00 0.08 0.59 -0.83 0.00 0.00 0.00 175.10 174.94 2qex s GLY 67 N -0.57 2.22 0.67 4.51 0.00 -1.26 -4.89 107.32 108.00 2qex s GLY 67 Ca 0.55 -0.26 -0.17 0.00 0.00 0.00 0.00 44.72 44.84 2qex s GLY 67 CO 0.53 -0.11 1.21 0.30 0.00 0.00 0.00 173.10 175.02 2qex s HIS 68 N -1.90 2.21 -0.09 1.90 0.09 -1.26 -3.87 115.29 112.36 2qex s HIS 68 Ca 0.48 1.55 0.01 0.00 -0.00 0.00 0.00 55.06 57.11 2qex s HIS 68 Cb -0.11 -3.48 0.02 0.00 -0.00 0.00 0.00 32.58 29.01 2qex s HIS 68 CO 0.22 -2.45 -0.11 0.15 -0.00 0.00 0.00 174.74 172.55 2qex s LYS 69 N -3.67 1.70 0.37 1.40 -0.14 0.16 -4.89 119.74 114.67 2qex s LYS 69 Ca 0.76 -0.37 0.05 0.00 -1.36 0.00 0.00 55.97 55.04 2qex s LYS 69 Cb -0.30 -1.53 0.73 0.00 -1.68 0.00 0.00 37.83 35.05 2qex s LYS 69 CO 0.40 -0.09 2.00 0.66 -0.76 0.00 0.00 175.35 177.56 2qex h SER 70 N 7.47 0.55 0.00 2.83 4.64 -1.97 -2.69 113.55 124.38 2qex h SER 70 Ca -0.31 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2qex h SER 70 Cb 1.16 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2qex h SER 70 CO 0.46 0.46 0.00 0.29 -0.87 0.00 0.00 176.83 177.16 2qex n LYS 71 N -4.41 0.78 -2.99 4.77 5.02 -1.26 -4.75 118.16 115.32 2qex n LYS 71 Ca 0.04 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.92 2qex n LYS 71 Cb 0.10 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 2qex n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qex s VAL 72 N -2.00 4.97 -0.24 -0.18 1.01 -1.02 -4.93 120.40 118.02 2qex s VAL 72 Ca 0.30 1.48 -0.07 0.00 0.00 0.00 0.00 61.98 63.69 2qex s VAL 72 Cb 0.14 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2qex s VAL 72 CO 0.23 0.14 0.07 -0.62 0.00 0.00 0.00 175.10 174.92 2qex s ASP 73 N 1.02 5.21 0.00 3.32 2.15 -1.26 -4.41 116.67 122.69 2qex s ASP 73 Ca 0.36 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.18 2qex s ASP 73 Cb -0.17 -1.93 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 2qex s ASP 73 CO 0.15 -0.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.75 2qex n GLY 74 N 4.72 1.00 0.53 2.66 0.00 -1.26 -4.99 105.19 107.85 2qex n GLY 74 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 2qex n GLY 74 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2qex n TRP 75 N -2.00 -0.40 0.06 1.61 -0.00 -1.26 -5.14 117.44 110.32 2qex n TRP 75 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 57.50 57.09 2qex n TRP 75 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 31.31 31.38 2qex n TRP 75 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2qex n ASP 76 N -2.37 0.31 -4.77 5.87 5.68 -1.26 -4.83 116.55 115.18 2qex n ASP 76 Ca 0.01 0.21 -0.38 0.00 -0.50 0.00 0.00 54.79 54.12 2qex n ASP 76 Cb 0.10 0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.05 2qex n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qex s ALA 77 N -2.00 3.26 -0.04 2.12 0.00 -1.26 -0.67 121.76 123.17 2qex s ALA 77 Ca 0.00 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 2qex s ALA 77 Cb 0.00 -3.27 0.11 0.00 0.00 0.00 0.00 23.12 19.96 2qex s ALA 77 CO 0.00 -0.06 0.92 0.20 0.00 0.00 0.00 175.76 176.82 2qex s GLY 78 N -1.27 -0.42 0.10 0.00 0.00 -1.25 -1.53 107.32 102.94 2qex s GLY 78 Ca 0.49 1.23 0.02 0.00 0.00 0.00 0.00 44.72 46.46 2qex s GLY 78 CO 0.32 0.49 0.09 0.54 0.00 0.00 0.00 173.10 174.54 2qex n ARG 79 N -0.03 0.13 -3.49 2.90 1.74 -0.43 -4.80 116.66 112.68 2qex n ARG 79 Ca -0.09 -0.92 -0.27 0.00 -0.77 0.00 0.00 57.85 55.80 2qex n ARG 79 Cb 0.61 0.78 -0.09 0.00 -1.02 0.00 0.00 32.46 32.73 2qex n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2qex n TYR 80 N -0.18 1.90 -1.96 -1.55 4.02 -1.26 -0.40 117.16 117.73 2qex n TYR 80 Ca 0.02 -3.92 -0.24 0.00 -0.01 0.00 0.00 57.90 53.74 2qex n TYR 80 Cb 0.17 -0.39 -0.05 0.00 -0.02 0.00 0.00 39.34 39.04 2qex n TYR 80 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 2qex s PRO 81 N -1.52 2.37 0.11 -0.72 0.02 -1.26 -4.82 135.00 129.17 2qex s PRO 81 Ca 0.34 -0.18 -0.14 0.00 0.02 0.00 0.00 61.00 61.04 2qex s PRO 81 Cb 0.09 -5.02 -0.08 0.00 0.02 0.00 0.00 34.50 29.51 2qex s PRO 81 CO -0.10 -3.61 1.43 1.05 -0.33 0.00 0.00 177.00 175.43 2qex h GLU 82 N 11.48 0.74 0.15 5.54 -0.00 -1.92 -1.39 114.58 129.18 2qex h GLU 82 Ca 0.08 -0.39 -0.01 0.00 -0.00 0.00 0.00 59.36 59.04 2qex h GLU 82 Cb 1.00 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.77 2qex h GLU 82 CO 1.17 1.02 -0.07 -0.22 -0.00 0.00 0.00 179.01 180.91 2qex h LYS 83 N 0.50 -0.19 -0.56 1.06 3.64 -2.00 -0.40 116.57 118.62 2qex h LYS 83 Ca 0.05 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2qex h LYS 83 Cb 0.88 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 2qex h LYS 83 CO 0.08 -0.06 -0.02 0.00 -2.27 0.00 0.00 179.45 177.18 2qex h ALA 84 N 0.57 0.91 -0.73 5.00 0.00 -1.94 -2.87 119.26 120.20 2qex h ALA 84 Ca -0.02 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2qex h ALA 84 Cb 0.22 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2qex h ALA 84 CO 0.03 0.64 0.48 0.77 0.00 0.00 0.00 179.25 181.18 2qex h SER 85 N 0.90 0.85 -0.76 0.00 0.02 -1.01 -2.44 113.55 111.10 2qex h SER 85 Ca 0.16 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2qex h SER 85 Cb 0.54 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 2qex h SER 85 CO 0.03 0.62 0.42 0.11 -1.14 0.00 0.00 176.83 176.87 2qex h LYS 86 N 0.99 1.08 -0.46 3.45 1.57 -0.89 -1.92 116.57 120.40 2qex h LYS 86 Ca 0.27 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2qex h LYS 86 Cb -0.10 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 31.97 2qex h LYS 86 CO -0.06 0.79 0.05 0.00 -0.57 0.00 0.00 179.45 179.67 2qex h ALA 87 N 1.38 1.23 0.00 3.86 0.00 -1.24 -1.99 119.26 122.51 2qex h ALA 87 Ca 0.27 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2qex h ALA 87 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2qex h ALA 87 CO -0.04 0.52 -0.52 0.74 0.00 0.00 0.00 179.25 179.94 2qex h PHE 88 N 0.69 0.00 0.00 0.00 -1.00 -0.98 -2.20 116.94 113.45 2qex h PHE 88 Ca 0.15 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.89 2qex h PHE 88 Cb 0.35 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 2qex h PHE 88 CO 0.02 0.52 -0.19 -0.07 -1.61 0.00 0.00 178.31 176.98 2qex h LEU 89 N 0.00 0.00 -0.09 1.54 3.38 -0.64 -0.22 115.31 119.29 2qex h LEU 89 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 2qex h LEU 89 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2qex h LEU 89 CO 0.07 0.19 -1.01 0.44 0.09 0.00 0.00 178.44 178.22 2qex h ASP 90 N 0.00 0.21 0.19 -0.43 5.19 -0.97 -2.13 116.42 118.48 2qex h ASP 90 Ca -0.00 -0.20 -0.15 0.00 -0.62 0.00 0.00 57.03 56.06 2qex h ASP 90 Cb 0.74 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 2qex h ASP 90 CO 0.02 1.09 -0.55 0.25 -3.12 0.00 0.00 179.24 176.94 2qex h LEU 91 N 0.06 0.42 0.00 1.55 5.85 -0.79 -2.36 115.31 120.03 2qex h LEU 91 Ca -0.06 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 2qex h LEU 91 Cb 1.71 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 2qex h LEU 91 CO 0.15 0.88 -0.45 -0.07 -0.34 0.00 0.00 178.44 178.61 2qex h LEU 92 N 0.29 0.00 -0.07 2.25 3.38 -1.05 -1.72 115.31 118.40 2qex h LEU 92 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2qex h LEU 92 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2qex h LEU 92 CO 0.09 0.27 -0.32 -0.08 0.09 0.00 0.00 178.44 178.49 2qex h GLU 93 N 0.00 0.34 -0.46 1.13 4.81 -1.25 -1.94 114.58 117.21 2qex h GLU 93 Ca -0.02 -0.27 -0.09 0.00 -0.13 0.00 0.00 59.36 58.85 2qex h GLU 93 Cb 1.22 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 2qex h GLU 93 CO 0.03 0.91 -0.07 -0.97 -0.73 0.00 0.00 179.01 178.19 2qex h ASN 94 N -0.16 0.85 0.71 1.04 -1.24 -1.48 -0.17 115.58 115.13 2qex h ASN 94 Ca -0.02 -0.34 -0.03 0.00 0.71 0.00 0.00 56.30 56.61 2qex h ASN 94 Cb 0.97 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.80 2qex h ASN 94 CO 0.07 0.99 -0.38 0.00 -1.29 0.00 0.00 177.43 176.82 2qex h ALA 95 N 0.89 -1.01 -0.10 1.57 0.00 -1.34 0.19 119.26 119.46 2qex h ALA 95 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2qex h ALA 95 Cb 0.59 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2qex h ALA 95 CO 0.04 -1.08 0.01 0.28 0.00 0.00 0.00 179.25 178.50 2qex h VAL 96 N -1.00 1.06 0.33 0.00 2.07 -1.38 -0.79 116.25 116.53 2qex h VAL 96 Ca -0.09 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2qex h VAL 96 Cb 0.79 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2qex h VAL 96 CO 0.13 0.07 -0.16 1.23 0.02 0.00 0.00 177.57 178.87 2qex h GLY 97 N 0.27 -0.46 1.38 2.17 0.00 -0.39 -1.56 103.07 104.46 2qex h GLY 97 Ca 0.03 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 2qex h GLY 97 CO -0.00 -0.17 0.37 3.43 0.00 0.00 0.00 176.54 180.17 2qex h ASN 98 N -0.63 0.73 0.34 0.19 -0.26 -0.27 -2.54 115.58 113.14 2qex h ASN 98 Ca -0.05 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.64 2qex h ASN 98 Cb 0.45 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 2qex h ASN 98 CO 0.07 0.56 -0.16 0.00 -1.06 0.00 0.00 177.43 176.84 2qex h ALA 99 N 1.57 -0.46 -0.56 -0.83 0.00 -0.96 -3.02 119.26 115.00 2qex h ALA 99 Ca 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qex h ALA 99 Cb -0.04 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2qex h ALA 99 CO -0.04 -0.75 0.34 -0.44 0.00 0.00 0.00 179.25 178.36 2qex h ASP 100 N -0.48 0.66 0.07 0.00 3.32 -1.12 -1.41 116.42 117.46 2qex h ASP 100 Ca -0.05 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2qex h ASP 100 Cb 0.36 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2qex h ASP 100 CO 0.08 0.52 0.00 1.57 -1.72 0.00 0.00 179.24 179.68 2qex n HIS 101 N -4.66 0.00 0.71 4.55 -0.00 -0.97 -0.14 115.22 114.71 2qex n HIS 101 Ca 0.03 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.30 2qex n HIS 101 Cb 0.05 -0.49 0.03 0.00 -0.12 0.00 0.00 29.99 29.46 2qex n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2qex n GLN 102 N -1.49 1.53 -0.20 1.57 6.02 -0.57 -4.98 117.38 119.26 2qex n GLN 102 Ca 0.01 -1.15 0.00 0.00 -0.01 0.00 0.00 57.00 55.85 2qex n GLN 102 Cb 0.02 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2qex n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qex n GLY 103 N 1.06 0.83 2.57 1.08 0.00 0.80 -5.09 105.19 106.45 2qex n GLY 103 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 2qex n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qex n PHE 104 N -2.15 -3.31 -3.76 1.61 3.01 -0.97 -5.00 117.46 106.89 2qex n PHE 104 Ca 0.00 -1.07 -0.36 0.00 1.01 0.00 0.00 57.45 57.03 2qex n PHE 104 Cb 0.00 -0.53 -0.10 0.00 -0.01 0.00 0.00 39.48 38.83 2qex n PHE 104 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2qex s ASP 105 N -3.83 5.13 0.11 4.37 2.15 -1.26 -4.41 116.67 118.93 2qex s ASP 105 Ca 0.45 -2.77 -0.30 0.00 0.43 0.00 0.00 52.55 50.37 2qex s ASP 105 Cb -0.02 -1.82 -0.11 0.00 -0.30 0.00 0.00 42.92 40.67 2qex s ASP 105 CO 0.31 -0.37 1.49 1.23 -0.17 0.00 0.00 175.17 177.66 2qex h GLY 106 N 7.09 -1.12 1.20 2.66 0.00 -1.88 -2.82 103.07 108.21 2qex h GLY 106 Ca -0.04 0.71 0.11 0.00 0.00 0.00 0.00 47.33 48.12 2qex h GLY 106 CO 0.71 -0.21 0.30 0.83 0.00 0.00 0.00 176.54 178.17 2qex h GLU 107 N -0.43 0.05 -0.22 4.80 5.08 -1.94 -2.00 114.58 119.91 2qex h GLU 107 Ca 0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2qex h GLU 107 Cb 0.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2qex h GLU 107 CO -0.47 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 177.57 2qex n ALA 108 N -2.60 2.50 -2.18 3.43 0.00 -1.07 -1.89 120.51 118.69 2qex n ALA 108 Ca 0.07 -0.56 -0.31 0.00 0.00 0.00 0.00 53.44 52.64 2qex n ALA 108 Cb 0.46 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 2qex n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2qex s MET 109 N -1.72 3.85 0.17 0.00 -1.94 -0.75 -4.63 119.30 114.28 2qex s MET 109 Ca 0.30 0.52 -0.14 0.00 -1.71 0.00 0.00 55.69 54.66 2qex s MET 109 Cb 0.16 -2.41 -0.07 0.00 2.01 0.00 0.00 34.83 34.52 2qex s MET 109 CO 0.24 0.04 0.57 0.99 -0.01 0.00 0.00 175.02 176.85 2qex s THR 110 N -2.23 4.83 -0.92 2.05 2.01 -0.38 -0.63 115.64 120.37 2qex s THR 110 Ca 0.52 0.85 -0.20 0.00 0.31 0.00 0.00 61.69 63.17 2qex s THR 110 Cb -0.10 -3.73 0.10 0.00 0.01 0.00 0.00 72.50 68.78 2qex s THR 110 CO 0.26 0.20 1.19 -0.63 -0.69 0.00 0.00 174.62 174.95 2qex s ILE 111 N -1.52 4.47 0.18 1.82 1.01 -0.65 -0.01 121.20 126.51 2qex s ILE 111 Ca 0.40 -1.22 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 2qex s ILE 111 Cb -0.15 -4.84 0.08 0.00 0.01 0.00 0.00 42.46 37.56 2qex s ILE 111 CO 0.19 -1.61 1.67 0.50 0.00 0.00 0.00 174.94 175.69 2qex h LYS 112 N 9.17 1.07 -2.71 2.79 3.64 -1.44 -1.83 116.57 127.25 2qex h LYS 112 Ca 0.12 -0.30 -0.11 0.00 -1.27 0.00 0.00 60.65 59.08 2qex h LYS 112 Cb 1.03 -0.12 -0.23 0.00 -0.41 0.00 0.00 32.23 32.50 2qex h LYS 112 CO 1.20 1.00 -0.20 -1.58 -2.27 0.00 0.00 179.45 177.60 2qex s HIS 113 N -5.15 -0.44 -0.30 1.91 5.04 -1.15 -4.86 115.29 110.34 2qex s HIS 113 Ca -0.12 1.03 -0.09 0.00 -1.54 0.00 0.00 55.06 54.35 2qex s HIS 113 Cb 0.14 0.16 0.15 0.00 0.04 0.00 0.00 32.58 33.07 2qex s HIS 113 CO 0.85 -0.26 0.68 0.54 -2.34 0.00 0.00 174.74 174.20 2qex s VAL 114 N -0.04 -0.94 -0.04 0.89 0.11 -1.26 -0.23 120.40 118.90 2qex s VAL 114 Ca -0.02 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.98 2qex s VAL 114 Cb -0.03 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 2qex s VAL 114 CO 0.01 0.00 0.12 0.00 -3.33 0.00 0.00 175.10 171.91 2qex s ALA 115 N 2.85 -0.30 -0.04 1.54 0.00 -1.03 -4.71 121.76 120.07 2qex s ALA 115 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 2qex s ALA 115 Cb -0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2qex s ALA 115 CO -0.19 -0.09 0.08 0.00 0.00 0.00 0.00 175.76 175.56 2qex s ALA 116 N -0.25 3.60 -0.01 0.00 0.00 -1.26 -2.19 121.76 121.65 2qex s ALA 116 Ca -0.03 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.13 2qex s ALA 116 Cb -0.02 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2qex s ALA 116 CO 0.00 0.66 -0.05 -1.01 0.00 0.00 0.00 175.76 175.36 2qex s HIS 117 N -1.11 0.56 -0.49 0.00 3.76 -0.33 -4.96 115.29 112.72 2qex s HIS 117 Ca 0.20 -0.11 -0.22 0.00 -0.15 0.00 0.00 55.06 54.77 2qex s HIS 117 Cb -0.12 -0.41 0.04 0.00 1.11 0.00 0.00 32.58 33.20 2qex s HIS 117 CO 0.10 -0.05 0.79 0.21 -0.85 0.00 0.00 174.74 174.94 2qex s LYS 118 N 0.11 3.30 0.00 1.40 2.20 -1.26 -1.13 119.74 124.35 2qex s LYS 118 Ca -0.01 -0.36 0.22 0.00 -0.36 0.00 0.00 55.97 55.46 2qex s LYS 118 Cb -0.05 -4.01 0.64 0.00 -1.51 0.00 0.00 37.83 32.90 2qex s LYS 118 CO -0.00 -1.25 1.50 1.33 -0.36 0.00 0.00 175.35 176.57 2qex n VAL 119 N 6.01 0.27 -0.69 4.02 0.24 -0.12 -5.00 118.33 123.07 2qex n VAL 119 Ca -0.00 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2qex n VAL 119 Cb 0.47 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 2qex n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qex n GLY 120 N 1.24 -1.65 2.96 7.63 0.00 -1.20 -4.97 105.19 109.20 2qex n GLY 120 Ca 0.17 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 2qex n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qex s GLU 121 N -1.80 0.89 -0.33 1.61 2.02 -1.26 -0.49 118.70 119.34 2qex s GLU 121 Ca 0.00 -0.23 -0.22 0.00 0.02 0.00 0.00 54.97 54.54 2qex s GLU 121 Cb 0.00 -0.85 0.00 0.00 0.10 0.00 0.00 34.13 33.38 2qex s GLU 121 CO 0.00 0.05 0.73 -1.14 0.02 0.00 0.00 175.26 174.92 2qex s GLN 122 N 0.41 3.86 0.13 1.61 0.74 0.53 -4.90 119.66 122.05 2qex s GLN 122 Ca -0.06 0.38 -0.28 0.00 0.05 0.00 0.00 55.36 55.45 2qex s GLN 122 Cb -0.10 -3.76 -0.07 0.00 1.10 0.00 0.00 33.01 30.18 2qex s GLN 122 CO 0.01 -0.70 0.89 -0.65 -0.55 0.00 0.00 175.29 174.28 2qex s GLN 123 N 2.88 4.67 0.28 1.67 -0.21 -1.26 -1.27 119.66 126.41 2qex s GLN 123 Ca 0.29 1.33 0.02 0.00 0.02 0.00 0.00 55.36 57.03 2qex s GLN 123 Cb -0.14 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 2qex s GLN 123 CO 0.14 0.35 0.15 0.20 -2.12 0.00 0.00 175.29 174.00 2qex s GLY 124 N -0.45 1.91 -0.03 3.09 0.00 -0.99 -4.96 107.32 105.90 2qex s GLY 124 Ca 0.42 -1.78 -0.01 0.00 0.00 0.00 0.00 44.72 43.35 2qex s GLY 124 CO 0.28 -1.56 0.05 -1.60 0.00 0.00 0.00 173.10 170.28 2qex s ARG 125 N -3.90 -0.04 -0.24 2.90 6.06 -1.26 -1.66 118.95 120.80 2qex s ARG 125 Ca 0.37 0.28 -0.03 0.00 -2.50 0.00 0.00 55.73 53.85 2qex s ARG 125 Cb 0.06 -0.34 0.01 0.00 0.06 0.00 0.00 34.95 34.74 2qex s ARG 125 CO 0.16 -0.23 -0.04 0.21 -2.50 0.00 0.00 175.30 172.91 2qex s LYS 126 N 1.51 3.09 0.18 5.12 2.47 -0.23 -4.89 119.74 126.99 2qex s LYS 126 Ca -0.04 -0.82 -0.31 0.00 -1.56 0.00 0.00 55.97 53.24 2qex s LYS 126 Cb -0.13 -3.04 -0.10 0.00 -1.46 0.00 0.00 37.83 33.11 2qex s LYS 126 CO -0.03 -0.32 1.56 -2.14 0.16 0.00 0.00 175.35 174.58 2qex s PRO 127 N 1.41 4.21 0.21 4.03 0.02 -1.26 -1.73 135.00 141.89 2qex s PRO 127 Ca 0.03 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.44 2qex s PRO 127 Cb -0.16 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.24 2qex s PRO 127 CO -0.03 -0.59 0.11 0.54 -0.33 0.00 0.00 177.00 176.69 2qex n ARG 128 N 3.69 1.29 -1.61 5.54 5.12 0.85 -4.94 116.66 126.60 2qex n ARG 128 Ca 0.13 -1.37 -0.29 0.00 -1.93 0.00 0.00 57.85 54.39 2qex n ARG 128 Cb 0.38 0.22 0.11 0.00 -1.16 0.00 0.00 32.46 32.02 2qex n ARG 128 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qex s ALA 129 N -2.32 2.07 -1.82 7.54 0.00 -1.26 -4.06 121.76 121.90 2qex s ALA 129 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2qex s ALA 129 Cb -0.01 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2qex s ALA 129 CO 0.05 -2.01 0.00 -1.33 0.00 0.00 0.00 175.76 172.47 2qex n MET 130 N -3.59 -1.25 -1.57 0.00 2.81 -1.26 -2.91 117.12 109.36 2qex n MET 130 Ca 0.07 1.08 -0.06 0.00 -1.81 0.00 0.00 57.70 56.98 2qex n MET 130 Cb 0.59 -5.36 -0.02 0.00 -0.71 0.00 0.00 33.22 27.72 2qex n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qex n GLY 131 N -0.84 0.56 3.62 3.03 0.00 -1.26 -5.05 105.19 105.25 2qex n GLY 131 Ca -0.18 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 2qex n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qex s ARG 132 N -3.27 2.22 0.07 1.61 3.52 -1.14 -5.02 118.95 116.94 2qex s ARG 132 Ca 0.00 -1.30 0.05 0.00 -0.13 0.00 0.00 55.73 54.35 2qex s ARG 132 Cb 0.00 -2.20 -0.03 0.00 -1.56 0.00 0.00 34.95 31.16 2qex s ARG 132 CO 0.00 0.41 -0.13 0.00 -0.81 0.00 0.00 175.30 174.77 2qex s ALA 133 N -1.96 1.12 0.16 6.12 0.00 -1.26 -0.10 121.76 125.83 2qex s ALA 133 Ca 0.28 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2qex s ALA 133 Cb -0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2qex s ALA 133 CO 0.18 0.13 -0.00 -1.54 0.00 0.00 0.00 175.76 174.53 2qex s SER 134 N -1.78 1.12 0.41 0.00 1.04 -0.70 -4.92 113.70 108.86 2qex s SER 134 Ca -0.02 -1.15 -0.27 0.00 0.48 0.00 0.00 55.95 54.99 2qex s SER 134 Cb -0.09 0.13 -0.10 0.00 0.10 0.00 0.00 66.02 66.06 2qex s SER 134 CO 0.02 -0.57 1.44 0.00 0.98 0.00 0.00 173.24 175.11 2qex n ALA 135 N -0.20 2.13 -3.16 5.32 0.00 -1.26 -1.07 120.51 122.27 2qex n ALA 135 Ca -0.07 0.30 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 2qex n ALA 135 Cb 0.63 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 2qex n ALA 135 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2qex n TRP 136 N 0.11 -1.79 -3.48 0.00 -0.00 -0.67 -4.66 117.44 106.96 2qex n TRP 136 Ca 0.03 -2.73 -0.20 0.00 -0.00 0.00 0.00 57.50 54.61 2qex n TRP 136 Cb 0.40 0.59 -0.02 0.00 -0.00 0.00 0.00 31.31 32.28 2qex n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 2qex s ASN 137 N -0.01 5.44 -0.07 5.87 0.01 -1.26 -2.34 114.94 122.58 2qex s ASN 137 Ca 0.32 -0.49 0.03 0.00 -0.71 0.00 0.00 52.86 52.02 2qex s ASN 137 Cb 0.06 -0.83 0.01 0.00 0.41 0.00 0.00 41.25 40.90 2qex s ASN 137 CO -0.15 -0.56 -0.15 -0.44 -1.51 0.00 0.00 177.10 174.29 2qex s SER 138 N -4.16 2.09 0.57 -1.22 0.01 -0.40 -4.96 113.70 105.64 2qex s SER 138 Ca 0.47 -0.36 -0.19 0.00 1.31 0.00 0.00 55.95 57.18 2qex s SER 138 Cb -0.07 -0.88 -0.05 0.00 0.21 0.00 0.00 66.02 65.24 2qex s SER 138 CO 0.29 0.08 1.18 -2.84 0.41 0.00 0.00 173.24 172.36 2qex s PRO 139 N 0.46 3.15 -0.19 12.44 0.02 -1.26 -0.34 135.00 149.28 2qex s PRO 139 Ca -0.13 1.74 0.01 0.00 0.02 0.00 0.00 61.00 62.64 2qex s PRO 139 Cb -0.15 -1.98 0.04 0.00 0.02 0.00 0.00 34.50 32.43 2qex s PRO 139 CO 0.04 -1.04 -0.13 -0.65 -0.33 0.00 0.00 177.00 174.89 2qex s GLN 140 N -3.29 2.30 -0.07 5.54 -0.21 0.35 -3.77 119.66 120.52 2qex s GLN 140 Ca 0.75 -0.85 0.03 0.00 0.02 0.00 0.00 55.36 55.32 2qex s GLN 140 Cb -0.28 -2.44 -0.02 0.00 1.00 0.00 0.00 33.01 31.27 2qex s GLN 140 CO 0.31 -0.36 -0.17 0.08 -2.12 0.00 0.00 175.29 173.02 2qex s VAL 141 N 1.36 2.76 0.13 1.09 1.01 -0.24 -0.95 120.40 125.56 2qex s VAL 141 Ca 0.00 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.24 2qex s VAL 141 Cb -0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2qex s VAL 141 CO -0.09 0.57 -0.04 -1.81 0.00 0.00 0.00 175.10 173.72 2qex s ASP 142 N -0.30 4.66 -0.22 3.32 1.11 -0.29 -0.52 116.67 124.43 2qex s ASP 142 Ca 0.02 -0.35 -0.10 0.00 0.18 0.00 0.00 52.55 52.30 2qex s ASP 142 Cb -0.13 -0.97 0.09 0.00 1.07 0.00 0.00 42.92 42.98 2qex s ASP 142 CO 0.03 0.14 0.51 0.54 1.18 0.00 0.00 175.17 177.56 2qex s VAL 143 N -1.44 -0.44 0.13 -1.27 0.11 -1.04 -1.19 120.40 115.26 2qex s VAL 143 Ca 0.25 0.09 -0.08 0.00 -2.93 0.00 0.00 61.98 59.31 2qex s VAL 143 Cb -0.10 -0.77 -0.06 0.00 -1.53 0.00 0.00 36.38 33.92 2qex s VAL 143 CO 0.16 0.04 0.41 -1.83 -3.33 0.00 0.00 175.10 170.56 2qex s GLU 144 N 2.18 3.71 -0.08 1.54 -1.05 -0.93 -1.91 118.70 122.16 2qex s GLU 144 Ca -0.06 0.09 -0.06 0.00 -0.15 0.00 0.00 54.97 54.79 2qex s GLU 144 Cb -0.10 -2.88 0.03 0.00 -0.44 0.00 0.00 34.13 30.73 2qex s GLU 144 CO -0.15 0.49 0.21 -1.17 0.95 0.00 0.00 175.26 175.58 2qex s LEU 145 N -2.34 1.01 -0.10 1.83 2.96 -0.23 -2.45 118.68 119.35 2qex s LEU 145 Ca 0.38 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.73 2qex s LEU 145 Cb -0.13 0.69 0.02 0.00 0.50 0.00 0.00 46.19 47.27 2qex s LEU 145 CO 0.21 -0.10 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.42 2qex s ILE 146 N 0.43 1.09 -0.12 6.68 1.01 0.68 -2.02 121.20 128.95 2qex s ILE 146 Ca -0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 2qex s ILE 146 Cb -0.04 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2qex s ILE 146 CO -0.02 0.37 0.17 -0.76 0.00 0.00 0.00 174.94 174.69 2qex s LEU 147 N 1.37 4.36 0.08 2.97 1.43 0.37 -1.07 118.68 128.20 2qex s LEU 147 Ca -0.01 0.48 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 2qex s LEU 147 Cb -0.14 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2qex s LEU 147 CO -0.05 0.36 -0.14 -0.70 0.23 0.00 0.00 176.35 176.05 2qex s GLU 148 N -0.76 0.84 0.27 1.70 2.12 0.99 -1.63 118.70 122.23 2qex s GLU 148 Ca 0.15 -1.00 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 2qex s GLU 148 Cb -0.12 -0.79 -0.10 0.00 0.26 0.00 0.00 34.13 33.38 2qex s GLU 148 CO 0.04 0.17 1.39 -1.21 -0.54 0.00 0.00 175.26 175.11 2qex s GLU 149 N -1.96 4.30 0.00 4.30 2.02 -1.09 -1.25 118.70 125.02 2qex s GLU 149 Ca -0.00 2.27 0.00 0.00 0.02 0.00 0.00 54.97 57.25 2qex s GLU 149 Cb -0.09 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.04 2qex s GLU 149 CO 0.02 -0.35 0.18 -2.30 0.02 0.00 0.00 175.26 172.83