#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ds9 s ALA 2 N 0.00 -1.17 0.33 3.04 0.00 -1.26 -1.51 121.76 121.20 1ds9 s ALA 2 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.63 1ds9 s ALA 2 Cb 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 1ds9 s ALA 2 CO 0.00 -1.03 0.12 1.63 0.00 0.00 0.00 175.76 176.48 1ds9 n LYS 3 N -0.48 0.65 -2.78 0.00 5.02 -1.26 -3.98 118.16 115.34 1ds9 n LYS 3 Ca -0.05 -2.80 -0.10 0.00 -2.02 0.00 0.00 58.31 53.34 1ds9 n LYS 3 Cb 0.59 1.52 0.04 0.00 -0.02 0.00 0.00 35.03 37.16 1ds9 n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ds9 n ALA 4 N -1.43 2.56 -1.89 7.82 0.00 -1.26 -4.64 120.51 121.68 1ds9 n ALA 4 Ca -0.13 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.51 1ds9 n ALA 4 Cb 0.50 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1ds9 n ALA 4 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ds9 n THR 5 N -0.06 0.00 -3.15 0.00 -2.24 -1.26 -3.96 114.28 103.61 1ds9 n THR 5 Ca 0.10 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.68 1ds9 n THR 5 Cb 0.79 -0.24 0.03 0.00 -2.10 0.00 0.00 70.33 68.82 1ds9 n THR 5 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ds9 s THR 6 N 0.42 2.36 0.03 4.28 2.01 -1.26 -4.14 115.64 119.33 1ds9 s THR 6 Ca 0.00 -1.08 -0.20 0.00 0.31 0.00 0.00 61.69 60.72 1ds9 s THR 6 Cb 0.00 -2.43 -0.16 0.00 0.01 0.00 0.00 72.50 69.91 1ds9 s THR 6 CO 0.00 0.00 1.27 -0.29 -0.69 0.00 0.00 174.62 174.91 1ds9 h ILE 7 N 0.42 1.38 -0.34 1.82 6.09 -1.86 0.47 117.51 125.50 1ds9 h ILE 7 Ca -0.34 -1.55 -0.01 0.00 -1.37 0.00 0.00 64.86 61.60 1ds9 h ILE 7 Cb 1.29 2.08 -0.02 0.00 0.47 0.00 0.00 36.82 40.64 1ds9 h ILE 7 CO 0.45 0.45 0.19 0.11 -3.07 0.00 0.00 178.15 176.28 1ds9 h LYS 8 N -0.03 0.47 0.00 2.19 1.57 -1.96 -1.41 116.57 117.39 1ds9 h LYS 8 Ca 0.00 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1ds9 h LYS 8 Cb 0.86 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1ds9 h LYS 8 CO 0.06 0.38 -0.64 -0.44 -0.57 0.00 0.00 179.45 178.24 1ds9 h ASP 9 N 0.42 0.00 0.37 0.86 5.19 -1.96 -0.36 116.42 120.94 1ds9 h ASP 9 Ca 0.12 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 1ds9 h ASP 9 Cb 0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1ds9 h ASP 9 CO -0.02 0.64 -0.18 0.00 -3.12 0.00 0.00 179.24 176.56 1ds9 h ALA 10 N 1.36 -0.50 -0.15 3.45 0.00 0.44 0.44 119.26 124.31 1ds9 h ALA 10 Ca -0.01 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 1ds9 h ALA 10 Cb 1.23 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ds9 h ALA 10 CO 0.08 -0.68 -0.71 0.82 0.00 0.00 0.00 179.25 178.76 1ds9 h ILE 11 N -0.70 1.31 0.05 0.00 2.04 -1.33 -0.80 117.51 118.09 1ds9 h ILE 11 Ca -0.05 -1.97 -0.00 0.00 1.00 0.00 0.00 64.86 63.84 1ds9 h ILE 11 Cb 0.49 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1ds9 h ILE 11 CO 0.08 0.62 -0.03 0.03 0.00 0.00 0.00 178.15 178.85 1ds9 h ARG 12 N 0.47 -0.07 -0.93 2.37 3.08 -1.03 0.36 114.38 118.63 1ds9 h ARG 12 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ds9 h ARG 12 Cb 1.31 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.33 1ds9 h ARG 12 CO 0.14 0.02 0.58 0.82 -1.07 0.00 0.00 179.97 180.46 1ds9 h ILE 13 N -0.15 1.25 0.00 2.04 2.04 -0.12 0.48 117.51 123.05 1ds9 h ILE 13 Ca -0.01 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1ds9 h ILE 13 Cb 0.13 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1ds9 h ILE 13 CO 0.01 0.26 -0.14 -0.26 0.00 0.00 0.00 178.15 178.01 1ds9 h PHE 14 N 1.27 0.00 0.00 1.37 0.04 -0.61 0.84 116.94 119.86 1ds9 h PHE 14 Ca 0.34 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.87 1ds9 h PHE 14 Cb -0.08 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.03 1ds9 h PHE 14 CO 0.00 0.14 -1.29 0.93 -0.60 0.00 0.00 178.31 177.50 1ds9 h GLU 15 N 0.00 0.00 0.00 1.51 5.08 0.17 0.91 114.58 122.25 1ds9 h GLU 15 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1ds9 h GLU 15 Cb 0.52 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1ds9 h GLU 15 CO 0.02 0.71 -2.20 -0.85 -1.00 0.00 0.00 179.01 175.70 1ds9 n GLU 16 N -3.19 0.68 0.00 2.33 0.28 -0.04 -3.45 120.64 117.24 1ds9 n GLU 16 Ca -0.07 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1ds9 n GLU 16 Cb 0.97 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 32.28 1ds9 n GLU 16 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ds9 n ARG 17 N -2.67 0.00 0.07 3.44 1.74 0.29 -4.47 116.66 115.06 1ds9 n ARG 17 Ca -0.24 0.23 0.13 0.00 -0.77 0.00 0.00 57.85 57.20 1ds9 n ARG 17 Cb 1.00 -0.69 0.48 0.00 -1.02 0.00 0.00 32.46 32.23 1ds9 n ARG 17 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1ds9 n LYS 18 N -1.91 0.16 -3.27 5.56 0.00 -0.57 -4.26 118.16 113.88 1ds9 n LYS 18 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 58.31 58.31 1ds9 n LYS 18 Cb 0.00 -1.69 0.07 0.00 0.00 0.00 0.00 35.03 33.41 1ds9 n LYS 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1ds9 n SER 19 N -1.97 -6.15 -4.71 3.14 7.64 0.18 -4.92 113.62 106.81 1ds9 n SER 19 Ca 0.06 -0.70 -0.27 0.00 1.01 0.00 0.00 58.87 58.97 1ds9 n SER 19 Cb 0.38 -5.20 -0.08 0.00 -1.01 0.00 0.00 64.21 58.30 1ds9 n SER 19 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ds9 s VAL 20 N -3.39 1.98 -0.58 0.44 -7.23 -0.38 -4.96 120.40 106.28 1ds9 s VAL 20 Ca 0.41 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1ds9 s VAL 20 Cb -0.05 -2.81 0.39 0.00 0.56 0.00 0.00 36.38 34.46 1ds9 s VAL 20 CO 0.74 0.00 1.32 0.55 -0.31 0.00 0.00 175.10 177.40 1ds9 n VAL 21 N -1.19 2.94 0.27 1.32 3.14 -1.26 -4.42 118.33 119.13 1ds9 n VAL 21 Ca -0.05 -4.96 -0.16 0.00 -2.96 0.00 0.00 64.34 56.21 1ds9 n VAL 21 Cb 0.66 -1.30 -0.08 0.00 -1.06 0.00 0.00 33.84 32.06 1ds9 n VAL 21 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ds9 h ALA 22 N 2.82 -0.64 -5.26 1.55 0.00 -1.91 -3.45 119.26 112.36 1ds9 h ALA 22 Ca 0.34 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1ds9 h ALA 22 Cb 0.63 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1ds9 h ALA 22 CO 0.99 -0.82 -0.12 -2.37 0.00 0.00 0.00 179.25 176.92 1ds9 n THR 23 N -5.34 0.00 -3.49 0.00 5.66 -1.26 0.23 114.28 110.09 1ds9 n THR 23 Ca -0.12 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.69 1ds9 n THR 23 Cb 0.28 -0.07 0.09 0.00 -1.55 0.00 0.00 70.33 69.08 1ds9 n THR 23 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ds9 n GLU 24 N -2.69 -6.94 -3.94 1.09 2.13 -1.26 -4.99 120.64 104.04 1ds9 n GLU 24 Ca 0.02 0.84 -0.31 0.00 0.66 0.00 0.00 57.16 58.36 1ds9 n GLU 24 Cb 0.49 -5.85 -0.04 0.00 0.27 0.00 0.00 31.44 26.31 1ds9 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ds9 s ALA 25 N -3.36 3.96 0.62 4.31 0.00 0.14 -4.66 121.76 122.76 1ds9 s ALA 25 Ca 0.17 -0.87 0.36 0.00 0.00 0.00 0.00 51.96 51.62 1ds9 s ALA 25 Cb -0.07 -1.78 2.08 0.00 0.00 0.00 0.00 23.12 23.35 1ds9 s ALA 25 CO 0.73 0.81 2.30 0.93 0.00 0.00 0.00 175.76 180.54 1ds9 h GLU 26 N 3.06 0.00 -4.30 0.00 5.08 -1.73 -3.34 114.58 113.35 1ds9 h GLU 26 Ca -0.45 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.24 1ds9 h GLU 26 Cb 1.16 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.03 1ds9 h GLU 26 CO 0.75 0.00 -0.61 0.15 -1.00 0.00 0.00 179.01 178.30 1ds9 s LYS 27 N -4.40 1.84 -0.09 2.33 1.02 -1.24 0.23 119.74 119.43 1ds9 s LYS 27 Ca -0.05 -2.05 0.00 0.00 0.02 0.00 0.00 55.97 53.89 1ds9 s LYS 27 Cb 0.14 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 1ds9 s LYS 27 CO 0.49 -1.03 -0.07 0.08 -0.92 0.00 0.00 175.35 173.90 1ds9 s VAL 28 N 0.68 3.68 -0.48 3.17 1.01 -0.55 -4.93 120.40 122.98 1ds9 s VAL 28 Ca 0.12 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1ds9 s VAL 28 Cb -0.21 -2.53 0.15 0.00 0.00 0.00 0.00 36.38 33.79 1ds9 s VAL 28 CO -0.05 0.58 0.32 -1.61 0.00 0.00 0.00 175.10 174.34 1ds9 s GLU 29 N -0.53 1.38 0.41 2.72 2.02 -1.26 0.48 118.70 123.93 1ds9 s GLU 29 Ca 0.08 -2.29 -0.01 0.00 0.02 0.00 0.00 54.97 52.77 1ds9 s GLU 29 Cb -0.12 -2.23 0.08 0.00 0.10 0.00 0.00 34.13 31.97 1ds9 s GLU 29 CO 0.02 -1.26 0.56 1.28 0.02 0.00 0.00 175.26 175.88 1ds9 n LEU 30 N 3.01 0.00 0.04 1.80 7.99 0.18 -4.87 117.00 125.15 1ds9 n LEU 30 Ca 0.18 -1.12 0.00 0.00 -0.01 0.00 0.00 56.01 55.06 1ds9 n LEU 30 Cb 0.39 -0.37 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 1ds9 n LEU 30 CO 0.19 -0.79 0.00 1.57 -1.51 0.00 0.00 177.39 176.85 1ds9 n HIS 31 N -2.27 -0.29 -4.06 -1.77 -0.00 -1.26 -3.68 115.22 101.90 1ds9 n HIS 31 Ca 0.09 0.05 -0.33 0.00 0.46 0.00 0.00 57.72 57.99 1ds9 n HIS 31 Cb 0.32 0.10 -0.06 0.00 -0.12 0.00 0.00 29.99 30.22 1ds9 n HIS 31 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1ds9 s GLY 32 N -3.81 2.05 0.32 1.57 0.00 -1.26 0.21 107.32 106.40 1ds9 s GLY 32 Ca 0.00 -0.86 0.06 0.00 0.00 0.00 0.00 44.72 43.92 1ds9 s GLY 32 CO 0.00 -0.76 -0.03 -0.29 0.00 0.00 0.00 173.10 172.03 1ds9 s MET 33 N -1.85 1.67 -0.44 2.90 1.75 0.19 -4.30 119.30 119.21 1ds9 s MET 33 Ca 0.25 -1.89 -0.29 0.00 -1.25 0.00 0.00 55.69 52.51 1ds9 s MET 33 Cb -0.12 -1.24 0.03 0.00 2.84 0.00 0.00 34.83 36.33 1ds9 s MET 33 CO 0.16 -0.01 1.13 -1.50 -0.65 0.00 0.00 175.02 174.15 1ds9 s ILE 34 N -2.97 4.27 0.24 10.11 2.07 -1.26 -4.56 121.20 129.10 1ds9 s ILE 34 Ca 0.32 1.34 -0.07 0.00 -1.41 0.00 0.00 60.65 60.83 1ds9 s ILE 34 Cb 0.06 -4.56 0.22 0.00 0.13 0.00 0.00 42.46 38.31 1ds9 s ILE 34 CO 0.14 -0.89 1.90 1.55 -1.91 0.00 0.00 174.94 175.74 1ds9 h PRO 35 N 8.99 1.24 -0.30 3.50 0.13 -1.91 -1.71 132.00 141.94 1ds9 h PRO 35 Ca -0.22 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1ds9 h PRO 35 Cb 1.06 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1ds9 h PRO 35 CO 1.11 0.84 0.00 -0.35 -0.23 0.00 0.00 178.00 179.37 1ds9 n PRO 36 N -4.41 0.85 -1.66 1.56 -0.04 -1.26 -0.44 135.00 129.60 1ds9 n PRO 36 Ca 0.10 0.00 -0.60 0.00 -0.04 0.00 0.00 63.50 62.96 1ds9 n PRO 36 Cb 0.03 -1.15 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 1ds9 n PRO 36 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1ds9 n ILE 37 N -0.30 0.10 0.03 0.52 3.06 -0.64 -4.66 119.36 117.47 1ds9 n ILE 37 Ca 0.00 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.23 1ds9 n ILE 37 Cb 0.07 -0.72 0.00 0.00 0.54 0.00 0.00 39.64 39.54 1ds9 n ILE 37 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1ds9 n GLU 38 N 3.75 0.00 -2.63 9.51 2.13 -1.23 -1.43 120.64 130.74 1ds9 n GLU 38 Ca 0.25 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.64 1ds9 n GLU 38 Cb 0.08 -0.21 -0.02 0.00 0.27 0.00 0.00 31.44 31.56 1ds9 n GLU 38 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ds9 s LYS 39 N -2.00 4.18 -0.35 5.31 1.02 -1.25 -3.16 119.74 123.49 1ds9 s LYS 39 Ca 0.00 1.27 0.09 0.00 0.02 0.00 0.00 55.97 57.35 1ds9 s LYS 39 Cb 0.00 -3.69 0.75 0.00 -0.52 0.00 0.00 37.83 34.37 1ds9 s LYS 39 CO 0.00 -0.74 1.84 -1.33 -0.92 0.00 0.00 175.35 174.20 1ds9 n MET 40 N 6.56 3.56 -0.37 1.68 2.81 -1.26 -4.52 117.12 125.59 1ds9 n MET 40 Ca 0.12 -3.09 -0.01 0.00 -1.81 0.00 0.00 57.70 52.92 1ds9 n MET 40 Cb 0.46 -2.23 0.14 0.00 -0.71 0.00 0.00 33.22 30.88 1ds9 n MET 40 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1ds9 h ASP 41 N 2.47 1.11 0.57 7.83 1.82 -1.90 0.26 116.42 128.57 1ds9 h ASP 41 Ca 0.33 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.93 1ds9 h ASP 41 Cb 2.45 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 42.19 1ds9 h ASP 41 CO 0.81 0.78 -0.42 0.00 -1.61 0.00 0.00 179.24 178.80 1ds9 h ALA 42 N 1.40 -1.17 -0.14 -0.78 0.00 -1.79 -1.15 119.26 115.64 1ds9 h ALA 42 Ca 0.38 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1ds9 h ALA 42 Cb -0.06 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ds9 h ALA 42 CO -0.10 -1.15 0.11 0.00 0.00 0.00 0.00 179.25 178.10 1ds9 h THR 43 N -0.94 0.88 0.10 0.00 1.03 -1.85 -1.30 112.91 110.83 1ds9 h THR 43 Ca -0.08 0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.35 1ds9 h THR 43 Cb 0.78 0.92 -0.04 0.00 -1.07 0.00 0.00 68.15 68.74 1ds9 h THR 43 CO 0.03 0.00 -0.31 0.25 -0.01 0.00 0.00 175.52 175.49 1ds9 h LEU 44 N 0.00 -0.89 0.08 0.00 5.85 0.67 0.19 115.31 121.20 1ds9 h LEU 44 Ca 0.07 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1ds9 h LEU 44 Cb 0.28 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1ds9 h LEU 44 CO -0.00 -0.39 -0.04 -1.28 -0.34 0.00 0.00 178.44 176.39 1ds9 h SER 45 N -0.52 -0.09 -0.24 1.25 0.87 -0.61 -2.70 113.55 111.52 1ds9 h SER 45 Ca 0.03 -0.33 0.07 0.00 -1.23 0.00 0.00 61.79 60.33 1ds9 h SER 45 Cb 0.56 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1ds9 h SER 45 CO -0.19 0.30 0.51 0.71 -0.53 0.00 0.00 176.83 177.63 1ds9 h THR 46 N -0.48 0.14 -0.91 2.23 1.35 -1.03 -1.93 112.91 112.28 1ds9 h THR 46 Ca -0.01 0.00 0.25 0.00 -0.55 0.00 0.00 66.41 66.10 1ds9 h THR 46 Cb 0.42 0.54 -0.15 0.00 -1.73 0.00 0.00 68.15 67.23 1ds9 h THR 46 CO 0.02 0.00 0.28 0.25 -0.25 0.00 0.00 175.52 175.81 1ds9 h LEU 47 N 0.00 0.05 -0.83 3.87 6.46 -0.28 1.06 115.31 125.65 1ds9 h LEU 47 Ca 0.12 0.20 0.02 0.00 -0.12 0.00 0.00 57.88 58.10 1ds9 h LEU 47 Cb 1.14 0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 41.28 1ds9 h LEU 47 CO -0.00 -0.17 0.54 0.07 -0.62 0.00 0.00 178.44 178.25 1ds9 h LYS 48 N 0.21 1.03 -1.08 1.25 2.10 -1.55 -0.97 116.57 117.55 1ds9 h LYS 48 Ca 0.59 -0.06 -0.67 0.00 -2.00 0.00 0.00 60.65 58.50 1ds9 h LYS 48 Cb 1.23 -0.23 -0.31 0.00 -0.90 0.00 0.00 32.23 32.02 1ds9 h LYS 48 CO -0.67 0.68 0.67 0.00 -2.00 0.00 0.00 179.45 178.13 1ds9 n ALA 49 N -2.33 6.19 -3.36 0.07 0.00 0.32 -4.94 120.51 116.44 1ds9 n ALA 49 Ca 0.10 -3.60 -0.32 0.00 0.00 0.00 0.00 53.44 49.61 1ds9 n ALA 49 Cb 0.06 -1.61 -0.16 0.00 0.00 0.00 0.00 19.45 17.75 1ds9 n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ds9 n LYS 51 N 3.76 0.00 -4.27 0.00 4.81 -1.21 -4.83 118.16 116.42 1ds9 n LYS 51 Ca -0.19 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 56.98 1ds9 n LYS 51 Cb 0.52 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.41 1ds9 n LYS 51 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1ds9 s HIS 52 N -1.84 1.60 0.17 5.64 2.46 0.14 -1.18 115.29 122.28 1ds9 s HIS 52 Ca 0.00 -0.73 0.06 0.00 0.47 0.00 0.00 55.06 54.87 1ds9 s HIS 52 Cb 0.00 -1.23 -0.04 0.00 -0.13 0.00 0.00 32.58 31.18 1ds9 s HIS 52 CO 0.00 -0.43 -0.13 -0.51 -2.47 0.00 0.00 174.74 171.20 1ds9 s LEU 53 N 1.16 2.53 -0.15 8.88 1.02 -0.48 -1.48 118.68 130.16 1ds9 s LEU 53 Ca -0.05 -0.99 -0.08 0.00 0.02 0.00 0.00 54.13 53.04 1ds9 s LEU 53 Cb -0.14 -0.54 0.06 0.00 0.02 0.00 0.00 46.19 45.58 1ds9 s LEU 53 CO -0.03 -0.22 0.36 0.00 0.02 0.00 0.00 176.35 176.48 1ds9 s ALA 54 N -2.99 -0.90 0.14 4.21 0.00 0.18 0.29 121.76 122.69 1ds9 s ALA 54 Ca 0.19 1.35 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 1ds9 s ALA 54 Cb -0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1ds9 s ALA 54 CO 0.04 -0.30 0.09 -0.51 0.00 0.00 0.00 175.76 175.08 1ds9 s LEU 55 N 1.51 1.59 0.00 0.00 1.02 -0.29 0.47 118.68 122.97 1ds9 s LEU 55 Ca -0.08 -1.19 0.00 0.00 0.02 0.00 0.00 54.13 52.87 1ds9 s LEU 55 Cb -0.09 0.42 0.00 0.00 0.02 0.00 0.00 46.19 46.54 1ds9 s LEU 55 CO -0.11 -0.77 0.00 -1.20 0.02 0.00 0.00 176.35 174.29 1ds9 n SER 56 N -0.13 0.00 -4.27 2.29 7.64 0.44 -2.70 113.62 116.89 1ds9 n SER 56 Ca -0.05 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.48 1ds9 n SER 56 Cb 0.64 -0.26 -0.13 0.00 -1.01 0.00 0.00 64.21 63.44 1ds9 n SER 56 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ds9 s THR 57 N -0.87 3.42 -0.15 0.44 -1.32 0.13 0.56 115.64 117.86 1ds9 s THR 57 Ca 0.00 -0.84 -0.11 0.00 -1.21 0.00 0.00 61.69 59.53 1ds9 s THR 57 Cb 0.00 -2.75 0.05 0.00 -1.51 0.00 0.00 72.50 68.29 1ds9 s THR 57 CO 0.00 0.15 0.37 0.54 -2.21 0.00 0.00 174.62 173.47 1ds9 s ASN 58 N 1.42 -0.42 0.15 8.08 2.20 -0.35 -0.64 114.94 125.38 1ds9 s ASN 58 Ca 0.02 0.77 0.11 0.00 -0.94 0.00 0.00 52.86 52.81 1ds9 s ASN 58 Cb -0.17 0.72 -0.04 0.00 -2.00 0.00 0.00 41.25 39.76 1ds9 s ASN 58 CO -0.01 -0.16 -0.24 0.20 -2.94 0.00 0.00 177.10 173.95 1ds9 s ASN 59 N 0.74 3.48 -0.26 3.54 -0.87 -1.26 -1.41 114.94 118.90 1ds9 s ASN 59 Ca -0.04 -0.74 0.02 0.00 -1.57 0.00 0.00 52.86 50.53 1ds9 s ASN 59 Cb -0.06 -0.30 0.07 0.00 -0.02 0.00 0.00 41.25 40.94 1ds9 s ASN 59 CO -0.05 0.16 -0.07 0.27 -2.57 0.00 0.00 177.10 174.84 1ds9 s ILE 60 N -1.26 2.00 -0.04 0.60 -4.36 -0.61 -3.82 121.20 113.72 1ds9 s ILE 60 Ca 0.17 -1.62 -0.22 0.00 -0.26 0.00 0.00 60.65 58.72 1ds9 s ILE 60 Cb -0.09 -2.20 -0.28 0.00 1.25 0.00 0.00 42.46 41.14 1ds9 s ILE 60 CO 0.08 -0.13 0.97 -0.08 0.24 0.00 0.00 174.94 176.02 1ds9 h GLU 61 N 7.80 0.31 -2.95 0.37 4.57 -0.84 -3.37 114.58 120.48 1ds9 h GLU 61 Ca -0.17 -0.43 0.01 0.00 -1.18 0.00 0.00 59.36 57.59 1ds9 h GLU 61 Cb 1.04 0.15 -0.10 0.00 -0.16 0.00 0.00 28.75 29.68 1ds9 h GLU 61 CO 0.46 1.16 0.23 0.21 -1.18 0.00 0.00 179.01 179.89 1ds9 s LYS 62 N -2.74 1.39 -0.12 1.92 2.20 -0.52 -4.72 119.74 117.16 1ds9 s LYS 62 Ca -0.14 -0.60 -0.07 0.00 -0.36 0.00 0.00 55.97 54.80 1ds9 s LYS 62 Cb 0.02 0.58 0.04 0.00 -1.51 0.00 0.00 37.83 36.96 1ds9 s LYS 62 CO 0.81 -0.62 0.28 0.96 -0.36 0.00 0.00 175.35 176.43 1ds9 s ILE 63 N -3.76 -0.03 -0.15 5.43 -5.25 -1.26 -3.49 121.20 112.70 1ds9 s ILE 63 Ca 0.04 0.09 0.18 0.00 -0.99 0.00 0.00 60.65 59.97 1ds9 s ILE 63 Cb -0.02 -0.42 -0.26 0.00 2.95 0.00 0.00 42.46 44.71 1ds9 s ILE 63 CO -0.07 0.04 0.16 -0.24 -1.79 0.00 0.00 174.94 173.04 1ds9 n SER 64 N 3.83 0.27 -4.23 4.36 2.88 -1.19 -4.72 113.62 114.82 1ds9 n SER 64 Ca -0.21 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 56.89 1ds9 n SER 64 Cb 0.55 1.21 -0.00 0.00 -0.75 0.00 0.00 64.21 65.22 1ds9 n SER 64 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ds9 n SER 65 N -2.59 5.71 -0.11 -3.46 3.41 -1.26 -4.81 113.62 110.52 1ds9 n SER 65 Ca -0.25 -3.15 -0.02 0.00 -0.26 0.00 0.00 58.87 55.20 1ds9 n SER 65 Cb 0.98 -1.33 0.23 0.00 -0.26 0.00 0.00 64.21 63.82 1ds9 n SER 65 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1ds9 h LEU 66 N 6.27 0.71 -1.11 1.04 8.10 -1.86 -0.30 115.31 128.16 1ds9 h LEU 66 Ca 0.18 -0.11 -0.08 0.00 0.11 0.00 0.00 57.88 57.98 1ds9 h LEU 66 Cb 0.80 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.82 1ds9 h LEU 66 CO 1.10 0.69 -0.25 0.77 -4.11 0.00 0.00 178.44 176.64 1ds9 h SER 67 N 0.75 0.31 0.24 0.17 4.64 -1.95 0.41 113.55 118.12 1ds9 h SER 67 Ca 0.17 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1ds9 h SER 67 Cb 0.25 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1ds9 h SER 67 CO -0.01 0.57 -0.12 1.23 -0.87 0.00 0.00 176.83 177.64 1ds9 h GLY 68 N 0.99 -0.34 2.00 -0.77 0.00 -1.47 -1.76 103.07 101.73 1ds9 h GLY 68 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1ds9 h GLY 68 CO 0.04 -0.12 0.00 -0.33 0.00 0.00 0.00 176.54 176.13 1ds9 h MET 69 N -0.45 0.00 0.00 4.80 2.86 -1.08 -3.19 114.93 117.88 1ds9 h MET 69 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1ds9 h MET 69 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1ds9 h MET 69 CO 0.05 0.00 0.00 -1.91 1.06 0.00 0.00 176.91 176.11 1ds9 n GLU 70 N -2.33 0.14 -0.16 1.72 2.13 0.14 -1.79 120.64 120.50 1ds9 n GLU 70 Ca 0.03 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.91 1ds9 n GLU 70 Cb 0.28 -1.31 0.15 0.00 0.27 0.00 0.00 31.44 30.83 1ds9 n GLU 70 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ds9 n ASN 71 N -0.81 2.86 -4.73 4.31 4.13 -1.21 -4.60 115.26 115.21 1ds9 n ASN 71 Ca 0.02 -1.90 -0.33 0.00 1.68 0.00 0.00 54.58 54.05 1ds9 n ASN 71 Cb 0.01 -0.21 0.10 0.00 -1.54 0.00 0.00 39.78 38.14 1ds9 n ASN 71 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ds9 s LEU 72 N -1.02 3.20 0.00 3.41 1.43 -0.74 -4.63 118.68 120.33 1ds9 s LEU 72 Ca 0.24 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 1ds9 s LEU 72 Cb 0.13 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.79 1ds9 s LEU 72 CO 0.18 -2.26 0.00 0.54 0.23 0.00 0.00 176.35 175.04 1ds9 n ARG 73 N -3.07 0.00 -4.07 1.70 5.12 -1.19 -2.83 116.66 112.33 1ds9 n ARG 73 Ca 0.12 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.78 1ds9 n ARG 73 Cb 0.51 -0.16 -0.17 0.00 -1.16 0.00 0.00 32.46 31.49 1ds9 n ARG 73 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1ds9 s ILE 74 N -1.66 0.98 -0.12 0.55 1.01 -0.33 -1.73 121.20 119.90 1ds9 s ILE 74 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1ds9 s ILE 74 Cb 0.00 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.51 1ds9 s ILE 74 CO 0.00 0.35 -0.17 -0.22 0.00 0.00 0.00 174.94 174.90 1ds9 s LEU 75 N 1.43 1.81 -1.07 2.97 2.96 -0.42 -1.38 118.68 124.98 1ds9 s LEU 75 Ca -0.01 -0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 53.37 1ds9 s LEU 75 Cb -0.13 -1.17 0.27 0.00 0.50 0.00 0.00 46.19 45.66 1ds9 s LEU 75 CO -0.05 0.03 1.11 -0.24 -1.32 0.00 0.00 176.35 175.88 1ds9 n SER 76 N 4.18 5.40 -4.82 3.68 2.88 0.14 -0.88 113.62 124.21 1ds9 n SER 76 Ca -0.19 -3.12 -0.38 0.00 -1.33 0.00 0.00 58.87 53.86 1ds9 n SER 76 Cb 0.51 -1.30 -0.06 0.00 -0.75 0.00 0.00 64.21 62.61 1ds9 n SER 76 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1ds9 s LEU 77 N -1.55 4.42 -0.05 2.46 0.20 0.15 -1.14 118.68 123.18 1ds9 s LEU 77 Ca 0.31 0.82 0.02 0.00 0.69 0.00 0.00 54.13 55.96 1ds9 s LEU 77 Cb -0.07 -2.48 -0.04 0.00 -0.43 0.00 0.00 46.19 43.16 1ds9 s LEU 77 CO -0.06 0.29 -0.02 0.61 -0.29 0.00 0.00 176.35 176.88 1ds9 n GLY 78 N 2.12 -0.14 3.17 7.98 0.00 -1.10 -2.54 105.19 114.69 1ds9 n GLY 78 Ca -0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1ds9 n GLY 78 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ds9 s ARG 79 N -2.11 0.30 0.05 1.61 3.00 0.19 0.75 118.95 122.75 1ds9 s ARG 79 Ca -0.05 0.91 -0.15 0.00 -1.00 0.00 0.00 55.73 55.43 1ds9 s ARG 79 Cb 0.02 0.14 0.03 0.00 0.00 0.00 0.00 34.95 35.13 1ds9 s ARG 79 CO 0.15 -0.33 0.35 0.54 0.00 0.00 0.00 175.30 176.01 1ds9 s ASN 80 N 2.58 -0.18 -0.10 -2.12 6.03 0.71 -1.21 114.94 120.65 1ds9 s ASN 80 Ca 0.01 -0.16 0.02 0.00 -1.03 0.00 0.00 52.86 51.70 1ds9 s ASN 80 Cb -0.13 0.39 0.01 0.00 -3.03 0.00 0.00 41.25 38.50 1ds9 s ASN 80 CO -0.13 -0.66 -0.16 -0.76 -2.03 0.00 0.00 177.10 173.36 1ds9 s LEU 81 N -2.16 1.76 -0.11 3.54 1.43 -0.50 -1.84 118.68 120.79 1ds9 s LEU 81 Ca -0.04 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1ds9 s LEU 81 Cb -0.00 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 45.13 1ds9 s LEU 81 CO -0.04 0.03 -0.20 -0.63 0.23 0.00 0.00 176.35 175.74 1ds9 s ILE 82 N 0.89 1.81 -0.20 -0.59 1.01 -0.54 -1.57 121.20 122.00 1ds9 s ILE 82 Ca -0.09 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.55 1ds9 s ILE 82 Cb -0.15 -1.61 -0.07 0.00 0.01 0.00 0.00 42.46 40.64 1ds9 s ILE 82 CO -0.00 0.50 -0.35 1.17 0.00 0.00 0.00 174.94 176.26 1ds9 n LYS 83 N 3.94 0.54 -3.31 2.79 4.81 -1.26 -4.27 118.16 121.39 1ds9 n LYS 83 Ca -0.20 0.22 -0.20 0.00 -0.87 0.00 0.00 58.31 57.26 1ds9 n LYS 83 Cb 0.52 -1.44 0.01 0.00 0.02 0.00 0.00 35.03 34.14 1ds9 n LYS 83 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1ds9 s LYS 84 N -2.81 2.50 -0.11 1.64 1.02 -1.26 -4.47 119.74 116.24 1ds9 s LYS 84 Ca -0.31 -1.57 0.01 0.00 0.02 0.00 0.00 55.97 54.12 1ds9 s LYS 84 Cb 0.06 -2.51 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 1ds9 s LYS 84 CO 0.44 -0.48 -0.15 -1.50 -0.92 0.00 0.00 175.35 172.74 1ds9 s ILE 85 N -2.55 2.93 0.00 2.17 -1.16 -1.26 -4.91 121.20 116.43 1ds9 s ILE 85 Ca 0.52 -0.72 0.00 0.00 -0.51 0.00 0.00 60.65 59.94 1ds9 s ILE 85 Cb -0.06 -2.21 0.00 0.00 0.61 0.00 0.00 42.46 40.81 1ds9 s ILE 85 CO 0.31 0.54 0.00 -0.62 -2.81 0.00 0.00 174.94 172.36 1ds9 n GLU 86 N 3.32 0.00 -0.05 3.50 -0.58 -1.26 -4.93 120.64 120.64 1ds9 n GLU 86 Ca -0.18 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.57 1ds9 n GLU 86 Cb 0.53 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.24 1ds9 n GLU 86 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1ds9 n ASN 87 N -1.88 0.05 0.10 1.62 6.94 -1.26 -4.29 115.26 116.54 1ds9 n ASN 87 Ca 0.00 0.02 0.19 0.00 -0.02 0.00 0.00 54.58 54.77 1ds9 n ASN 87 Cb 0.00 1.44 0.76 0.00 -2.36 0.00 0.00 39.78 39.62 1ds9 n ASN 87 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1ds9 h LEU 88 N 0.00 0.00 0.19 -4.53 3.38 -1.93 0.12 115.31 112.54 1ds9 h LEU 88 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1ds9 h LEU 88 Cb 1.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1ds9 h LEU 88 CO 0.02 0.00 -0.09 0.44 0.09 0.00 0.00 178.44 178.89 1ds9 h ASP 89 N 0.00 -0.22 -0.94 -0.43 3.32 -1.92 0.16 116.42 116.40 1ds9 h ASP 89 Ca 0.17 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1ds9 h ASP 89 Cb 0.86 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 1ds9 h ASP 89 CO -0.00 -0.10 0.60 0.00 -1.72 0.00 0.00 179.24 178.02 1ds9 h ALA 90 N -1.76 1.30 -0.66 3.45 0.00 -1.75 0.06 119.26 119.90 1ds9 h ALA 90 Ca -0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1ds9 h ALA 90 Cb 0.20 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1ds9 h ALA 90 CO 0.04 0.63 0.09 0.28 0.00 0.00 0.00 179.25 180.30 1ds9 h VAL 91 N 1.28 1.26 0.00 0.00 2.07 -0.84 0.14 116.25 120.16 1ds9 h VAL 91 Ca 0.34 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 1ds9 h VAL 91 Cb -0.12 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1ds9 h VAL 91 CO -0.07 0.40 -0.49 0.00 0.02 0.00 0.00 177.57 177.42 1ds9 h ALA 92 N 1.05 0.99 0.00 1.67 0.00 0.02 0.27 119.26 123.27 1ds9 h ALA 92 Ca 0.20 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 1ds9 h ALA 92 Cb 0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1ds9 h ALA 92 CO 0.02 0.62 -1.13 -0.44 0.00 0.00 0.00 179.25 178.31 1ds9 h ASP 93 N 0.00 0.00 0.00 0.00 3.32 -0.59 -3.38 116.42 115.78 1ds9 h ASP 93 Ca -0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1ds9 h ASP 93 Cb 0.99 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 1ds9 h ASP 93 CO 0.06 0.84 -2.17 1.07 -1.72 0.00 0.00 179.24 177.32 1ds9 n THR 94 N -3.18 1.00 -1.52 0.35 5.66 -0.00 -4.98 114.28 111.61 1ds9 n THR 94 Ca -0.05 -0.70 -0.31 0.00 -3.05 0.00 0.00 64.05 59.94 1ds9 n THR 94 Cb 0.91 -0.41 0.06 0.00 -1.55 0.00 0.00 70.33 69.34 1ds9 n THR 94 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1ds9 s LEU 95 N -5.14 3.02 0.00 1.09 0.20 0.95 -4.53 118.68 114.27 1ds9 s LEU 95 Ca -0.09 1.59 0.00 0.00 0.69 0.00 0.00 54.13 56.32 1ds9 s LEU 95 Cb 0.07 -4.40 0.00 0.00 -0.43 0.00 0.00 46.19 41.43 1ds9 s LEU 95 CO 0.75 -1.62 0.00 -0.62 -0.29 0.00 0.00 176.35 174.57 1ds9 n GLU 96 N -3.24 0.00 -3.89 1.98 1.02 -0.71 -4.64 120.64 111.17 1ds9 n GLU 96 Ca 0.08 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.87 1ds9 n GLU 96 Cb 0.54 -0.43 -0.13 0.00 -0.02 0.00 0.00 31.44 31.40 1ds9 n GLU 96 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ds9 s GLU 97 N -1.69 2.33 -0.10 3.49 2.02 -0.72 -1.67 118.70 122.36 1ds9 s GLU 97 Ca 0.00 -1.37 0.03 0.00 0.02 0.00 0.00 54.97 53.65 1ds9 s GLU 97 Cb 0.00 -3.25 0.01 0.00 0.10 0.00 0.00 34.13 30.99 1ds9 s GLU 97 CO 0.00 -0.70 -0.20 -1.17 0.02 0.00 0.00 175.26 173.21 1ds9 s LEU 98 N 1.23 1.93 -0.16 1.80 0.20 -0.69 -1.30 118.68 121.69 1ds9 s LEU 98 Ca -0.02 -0.49 -0.01 0.00 0.69 0.00 0.00 54.13 54.30 1ds9 s LEU 98 Cb -0.20 -1.24 -0.01 0.00 -0.43 0.00 0.00 46.19 44.32 1ds9 s LEU 98 CO -0.02 0.09 -0.13 0.26 -0.29 0.00 0.00 176.35 176.27 1ds9 s TRP 99 N 0.61 2.82 -0.37 5.38 0.51 -0.06 -1.11 118.94 126.72 1ds9 s TRP 99 Ca -0.14 -0.91 0.01 0.00 -2.12 0.00 0.00 56.10 52.94 1ds9 s TRP 99 Cb -0.17 -1.91 0.14 0.00 -0.81 0.00 0.00 33.47 30.72 1ds9 s TRP 99 CO 0.04 -0.41 0.22 0.96 -0.51 0.00 0.00 176.95 177.25 1ds9 s ILE 100 N 0.79 0.40 0.34 2.03 -4.36 -0.28 0.34 121.20 120.45 1ds9 s ILE 100 Ca -0.05 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 58.44 1ds9 s ILE 100 Cb -0.15 -1.29 0.27 0.00 1.25 0.00 0.00 42.46 42.54 1ds9 s ILE 100 CO 0.01 -0.98 1.99 -1.28 0.24 0.00 0.00 174.94 174.91 1ds9 h SER 101 N 6.89 0.77 -3.22 4.36 0.87 -1.50 -3.31 113.55 118.41 1ds9 h SER 101 Ca 0.06 -0.01 -0.50 0.00 -1.23 0.00 0.00 61.79 60.10 1ds9 h SER 101 Cb 0.96 -0.19 -0.40 0.00 -0.44 0.00 0.00 62.40 62.33 1ds9 h SER 101 CO 0.31 0.54 -0.76 -0.47 -0.53 0.00 0.00 176.83 175.92 1ds9 s TYR 102 N -5.77 0.84 -0.09 2.24 6.14 0.23 0.38 117.35 121.32 1ds9 s TYR 102 Ca -0.10 -0.72 -0.02 0.00 0.64 0.00 0.00 57.07 56.86 1ds9 s TYR 102 Cb 0.18 -0.95 0.04 0.00 0.42 0.00 0.00 41.96 41.65 1ds9 s TYR 102 CO 0.77 -0.58 0.04 0.54 0.64 0.00 0.00 175.55 176.96 1ds9 s ASN 103 N 1.92 1.68 -0.32 4.32 4.22 -0.28 -0.21 114.94 126.28 1ds9 s ASN 103 Ca -0.00 -0.19 -0.13 0.00 -2.14 0.00 0.00 52.86 50.40 1ds9 s ASN 103 Cb -0.17 -0.31 -0.03 0.00 1.28 0.00 0.00 41.25 42.03 1ds9 s ASN 103 CO -0.08 -0.25 0.26 -1.10 -2.04 0.00 0.00 177.10 173.88 1ds9 s GLN 104 N 2.07 3.69 -0.02 3.55 -0.21 -0.77 -0.11 119.66 127.85 1ds9 s GLN 104 Ca 0.04 -0.45 -0.06 0.00 0.02 0.00 0.00 55.36 54.91 1ds9 s GLN 104 Cb -0.13 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 30.13 1ds9 s GLN 104 CO -0.05 -0.37 0.13 0.42 -2.12 0.00 0.00 175.29 173.30 1ds9 s ILE 105 N 1.82 0.05 0.00 1.08 1.09 -0.66 -1.47 121.20 123.11 1ds9 s ILE 105 Ca 0.08 -0.45 0.00 0.00 -1.10 0.00 0.00 60.65 59.18 1ds9 s ILE 105 Cb -0.17 -0.34 0.00 0.00 -1.06 0.00 0.00 42.46 40.89 1ds9 s ILE 105 CO 0.11 -0.25 0.22 0.00 -0.10 0.00 0.00 174.94 174.93 1ds9 n ALA 106 N 2.04 1.13 -2.70 9.38 0.00 -1.26 -4.21 120.51 124.88 1ds9 n ALA 106 Ca -0.19 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 1ds9 n ALA 106 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1ds9 n ALA 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ds9 s SER 107 N -0.01 7.35 0.09 0.00 0.15 -1.26 -4.95 113.70 115.08 1ds9 s SER 107 Ca 0.00 1.65 -0.18 0.00 0.70 0.00 0.00 55.95 58.12 1ds9 s SER 107 Cb 0.00 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.67 1ds9 s SER 107 CO 0.00 -0.29 1.54 0.25 1.20 0.00 0.00 173.24 175.94 1ds9 h LEU 108 N 6.96 0.44 -0.44 3.45 7.12 -1.98 -1.38 115.31 129.49 1ds9 h LEU 108 Ca -0.40 -0.30 -0.13 0.00 0.13 0.00 0.00 57.88 57.19 1ds9 h LEU 108 Cb 1.21 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.21 1ds9 h LEU 108 CO 0.76 0.63 -0.23 0.28 -0.13 0.00 0.00 178.44 179.76 1ds9 h SER 109 N 0.24 0.96 0.89 1.25 0.02 -1.97 -0.24 113.55 114.69 1ds9 h SER 109 Ca 0.08 -0.41 -0.04 0.00 -0.84 0.00 0.00 61.79 60.58 1ds9 h SER 109 Cb 0.40 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1ds9 h SER 109 CO 0.01 1.15 -0.48 1.23 -1.14 0.00 0.00 176.83 177.60 1ds9 h GLY 110 N 0.76 -1.36 1.15 -3.77 0.00 -1.93 0.04 103.07 97.96 1ds9 h GLY 110 Ca 0.10 0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.96 1ds9 h GLY 110 CO 0.07 -0.48 0.56 0.16 0.00 0.00 0.00 176.54 176.85 1ds9 h ILE 111 N -1.27 1.23 -0.36 2.60 -0.00 -1.29 -1.05 117.51 117.37 1ds9 h ILE 111 Ca -0.12 -0.43 -0.01 0.00 -0.00 0.00 0.00 64.86 64.31 1ds9 h ILE 111 Cb 0.99 -0.04 -0.02 0.00 -0.00 0.00 0.00 36.82 37.76 1ds9 h ILE 111 CO 0.16 0.22 0.19 -0.08 -0.00 0.00 0.00 178.15 178.65 1ds9 h GLU 112 N 1.17 0.49 0.06 0.16 4.81 -0.75 -0.13 114.58 120.40 1ds9 h GLU 112 Ca 0.31 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1ds9 h GLU 112 Cb -0.12 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1ds9 h GLU 112 CO -0.07 0.37 -0.03 0.87 -0.73 0.00 0.00 179.01 179.43 1ds9 h LYS 113 N 0.50 -0.07 -0.33 1.92 1.79 0.06 -0.53 116.57 119.92 1ds9 h LYS 113 Ca 0.13 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.70 1ds9 h LYS 113 Cb 0.03 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1ds9 h LYS 113 CO -0.02 -0.02 0.31 1.37 -1.08 0.00 0.00 179.45 180.01 1ds9 h LEU 114 N -1.02 0.00 0.17 2.94 8.10 -1.22 0.18 115.31 124.46 1ds9 h LEU 114 Ca -0.01 0.00 -0.33 0.00 0.11 0.00 0.00 57.88 57.65 1ds9 h LEU 114 Cb 0.09 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.31 1ds9 h LEU 114 CO 0.01 0.00 -1.61 -0.37 -4.11 0.00 0.00 178.44 172.36 1ds9 h VAL 115 N 0.00 1.09 -0.14 0.15 -1.51 -1.10 -3.20 116.25 111.53 1ds9 h VAL 115 Ca 0.15 -2.67 0.04 0.00 -1.23 0.00 0.00 66.70 63.00 1ds9 h VAL 115 Cb 0.78 2.80 -0.01 0.00 -2.13 0.00 0.00 31.29 32.74 1ds9 h VAL 115 CO -0.00 0.84 0.25 -1.13 -1.23 0.00 0.00 177.57 176.29 1ds9 h ASN 116 N 0.10 0.00 -1.78 4.19 -1.24 0.10 -3.43 115.58 113.52 1ds9 h ASN 116 Ca -0.29 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.44 1ds9 h ASN 116 Cb 2.07 0.00 0.16 0.00 0.73 0.00 0.00 38.32 41.28 1ds9 h ASN 116 CO 0.19 0.00 -0.80 -0.11 -1.29 0.00 0.00 177.43 175.42 1ds9 n LEU 117 N -3.43 -1.89 0.00 0.34 0.00 -0.60 -4.86 117.00 106.55 1ds9 n LEU 117 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 56.01 55.79 1ds9 n LEU 117 Cb 0.35 -0.74 0.00 0.00 0.00 0.00 0.00 43.42 43.04 1ds9 n LEU 117 CO 0.23 -2.95 0.02 0.54 0.00 0.00 0.00 177.39 175.22 1ds9 n ARG 118 N -0.76 0.00 -4.06 1.96 1.74 -1.25 -4.55 116.66 109.74 1ds9 n ARG 118 Ca 0.03 0.42 -0.33 0.00 -0.77 0.00 0.00 57.85 57.20 1ds9 n ARG 118 Cb 0.43 -0.95 -0.15 0.00 -1.02 0.00 0.00 32.46 30.77 1ds9 n ARG 118 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ds9 s VAL 119 N -0.93 2.36 -0.04 1.55 0.11 -0.67 -1.69 120.40 121.08 1ds9 s VAL 119 Ca 0.00 -1.11 0.01 0.00 -2.93 0.00 0.00 61.98 57.95 1ds9 s VAL 119 Cb 0.00 -2.15 0.02 0.00 -1.53 0.00 0.00 36.38 32.72 1ds9 s VAL 119 CO 0.00 0.31 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.83 1ds9 s LEU 120 N 1.26 1.22 -0.16 2.54 0.20 -0.62 -1.71 118.68 121.41 1ds9 s LEU 120 Ca 0.00 -0.10 -0.14 0.00 0.69 0.00 0.00 54.13 54.58 1ds9 s LEU 120 Cb -0.16 -0.40 -0.05 0.00 -0.43 0.00 0.00 46.19 45.16 1ds9 s LEU 120 CO -0.08 -0.08 0.29 -0.31 -0.29 0.00 0.00 176.35 175.88 1ds9 s TYR 121 N 1.05 3.45 -0.39 5.38 1.51 -0.27 -1.43 117.35 126.65 1ds9 s TYR 121 Ca -0.09 0.59 0.03 0.00 -1.01 0.00 0.00 57.07 56.58 1ds9 s TYR 121 Cb -0.14 -2.35 0.16 0.00 -0.11 0.00 0.00 41.96 39.52 1ds9 s TYR 121 CO -0.01 0.22 0.30 -1.64 -1.11 0.00 0.00 175.55 173.31 1ds9 s MET 122 N 0.51 0.77 0.00 -0.62 -1.94 0.23 -1.13 119.30 117.12 1ds9 s MET 122 Ca 0.16 -1.79 0.00 0.00 -1.71 0.00 0.00 55.69 52.35 1ds9 s MET 122 Cb -0.13 -1.34 0.00 0.00 2.01 0.00 0.00 34.83 35.37 1ds9 s MET 122 CO 0.04 -1.32 0.00 -1.13 -0.01 0.00 0.00 175.02 172.60 1ds9 n SER 123 N 3.30 0.00 -4.69 3.03 3.41 -1.25 -1.70 113.62 115.72 1ds9 n SER 123 Ca 0.23 0.24 -0.41 0.00 -0.26 0.00 0.00 58.87 58.67 1ds9 n SER 123 Cb 0.44 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 1ds9 n SER 123 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1ds9 s ASN 124 N -1.94 6.98 -0.05 4.04 3.04 0.16 -1.05 114.94 126.13 1ds9 s ASN 124 Ca 0.00 1.19 -0.30 0.00 0.04 0.00 0.00 52.86 53.79 1ds9 s ASN 124 Cb 0.00 -2.44 0.08 0.00 -1.54 0.00 0.00 41.25 37.35 1ds9 s ASN 124 CO 0.00 -0.26 0.71 0.54 -3.04 0.00 0.00 177.10 175.05 1ds9 s ASN 125 N 1.00 -0.62 -0.46 -4.21 2.20 0.17 -1.12 114.94 111.89 1ds9 s ASN 125 Ca 0.38 0.63 -0.12 0.00 -0.94 0.00 0.00 52.86 52.82 1ds9 s ASN 125 Cb -0.17 0.52 0.09 0.00 -2.00 0.00 0.00 41.25 39.69 1ds9 s ASN 125 CO 0.16 -0.61 0.35 -0.75 -2.94 0.00 0.00 177.10 173.31 1ds9 s LYS 126 N -1.38 2.73 -0.16 3.55 2.36 0.84 -4.17 119.74 123.51 1ds9 s LYS 126 Ca -0.09 -1.53 -0.06 0.00 -2.55 0.00 0.00 55.97 51.74 1ds9 s LYS 126 Cb -0.00 -3.98 0.08 0.00 -1.05 0.00 0.00 37.83 32.88 1ds9 s LYS 126 CO 0.07 -1.08 0.34 0.42 1.55 0.00 0.00 175.35 176.65 1ds9 s ILE 127 N 1.49 -0.51 -0.10 5.43 1.01 -1.26 -1.66 121.20 125.61 1ds9 s ILE 127 Ca 0.04 0.22 0.14 0.00 0.00 0.00 0.00 60.65 61.05 1ds9 s ILE 127 Cb -0.25 -0.55 0.26 0.00 0.01 0.00 0.00 42.46 41.93 1ds9 s ILE 127 CO 0.03 0.09 1.13 0.35 0.00 0.00 0.00 174.94 176.54 1ds9 n THR 128 N 5.32 1.30 -2.42 2.92 -2.24 -1.26 -1.00 114.28 116.89 1ds9 n THR 128 Ca -0.08 -1.77 -0.37 0.00 -2.27 0.00 0.00 64.05 59.56 1ds9 n THR 128 Cb 0.50 0.07 0.02 0.00 -2.10 0.00 0.00 70.33 68.81 1ds9 n THR 128 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ds9 n ASN 129 N -0.83 6.75 -0.29 3.42 4.13 -1.26 -4.78 115.26 122.40 1ds9 n ASN 129 Ca 0.12 -3.74 0.02 0.00 1.68 0.00 0.00 54.58 52.66 1ds9 n ASN 129 Cb 0.71 -0.98 0.16 0.00 -1.54 0.00 0.00 39.78 38.14 1ds9 n ASN 129 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 1ds9 h TRP 130 N 3.47 0.85 -1.01 3.10 7.01 -1.93 0.44 115.95 127.87 1ds9 h TRP 130 Ca 0.47 0.03 0.29 0.00 2.11 0.00 0.00 58.89 61.79 1ds9 h TRP 130 Cb 0.31 -0.26 -0.14 0.00 -2.10 0.00 0.00 29.16 26.97 1ds9 h TRP 130 CO 1.16 0.36 0.59 0.78 -2.79 0.00 0.00 178.44 178.55 1ds9 h GLY 131 N 0.80 1.94 0.00 2.65 0.00 -2.01 -1.32 103.07 105.13 1ds9 h GLY 131 Ca 0.39 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1ds9 h GLY 131 CO -0.23 -0.36 -1.26 -1.84 0.00 0.00 0.00 176.54 172.84 1ds9 n GLU 132 N -4.95 0.76 0.03 4.80 0.00 -0.97 -4.66 120.64 115.66 1ds9 n GLU 132 Ca 0.30 0.02 0.01 0.00 0.00 0.00 0.00 57.16 57.48 1ds9 n GLU 132 Cb 0.89 -1.09 0.32 0.00 0.00 0.00 0.00 31.44 31.56 1ds9 n GLU 132 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1ds9 h ILE 133 N 0.00 1.19 -0.55 3.84 2.04 -0.16 0.91 117.51 124.77 1ds9 h ILE 133 Ca -0.10 -0.78 0.11 0.00 1.00 0.00 0.00 64.86 65.09 1ds9 h ILE 133 Cb 1.18 1.02 -0.10 0.00 -0.74 0.00 0.00 36.82 38.18 1ds9 h ILE 133 CO -0.01 0.26 -0.05 -0.78 0.00 0.00 0.00 178.15 177.57 1ds9 h ASP 134 N 0.42 -0.33 0.00 1.72 3.58 -1.35 -0.36 116.42 120.10 1ds9 h ASP 134 Ca 0.09 0.15 -0.24 0.00 0.42 0.00 0.00 57.03 57.44 1ds9 h ASP 134 Cb 0.34 0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.63 1ds9 h ASP 134 CO 0.01 -0.12 -1.57 1.17 -2.88 0.00 0.00 179.24 175.85 1ds9 n LYS 135 N -5.30 0.55 0.29 0.28 0.00 -1.14 -4.31 118.16 108.54 1ds9 n LYS 135 Ca 0.07 0.39 0.15 0.00 0.00 0.00 0.00 58.31 58.91 1ds9 n LYS 135 Cb 0.31 -1.59 0.72 0.00 0.00 0.00 0.00 35.03 34.47 1ds9 n LYS 135 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1ds9 h LEU 136 N -1.00 0.00 -3.91 3.14 3.38 -0.87 -1.98 115.31 114.06 1ds9 h LEU 136 Ca -0.36 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.45 1ds9 h LEU 136 Cb 1.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 1ds9 h LEU 136 CO -0.22 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.02 1ds9 n ALA 137 N -1.92 5.73 -2.92 1.53 0.00 -0.15 -4.64 120.51 118.15 1ds9 n ALA 137 Ca -0.00 -1.46 -0.18 0.00 0.00 0.00 0.00 53.44 51.80 1ds9 n ALA 137 Cb 0.49 -2.13 -0.00 0.00 0.00 0.00 0.00 19.45 17.81 1ds9 n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ds9 n ALA 138 N 2.38 -0.93 0.13 0.00 0.00 -1.10 -4.68 120.51 116.31 1ds9 n ALA 138 Ca 0.34 0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.96 1ds9 n ALA 138 Cb 0.81 -2.26 0.55 0.00 0.00 0.00 0.00 19.45 18.54 1ds9 n ALA 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ds9 h LEU 139 N -0.56 0.21 -3.99 0.00 7.12 -1.57 0.11 115.31 116.63 1ds9 h LEU 139 Ca -0.37 -0.00 -0.61 0.00 0.13 0.00 0.00 57.88 57.03 1ds9 h LEU 139 Cb 1.26 -0.05 -0.30 0.00 -0.53 0.00 0.00 40.66 41.04 1ds9 h LEU 139 CO 0.44 0.15 0.78 -0.90 -0.13 0.00 0.00 178.44 178.78 1ds9 n ASP 140 N -4.51 5.99 0.24 1.25 5.75 -1.26 -4.62 116.55 119.38 1ds9 n ASP 140 Ca 0.00 -3.70 0.00 0.00 -0.01 0.00 0.00 54.79 51.08 1ds9 n ASP 140 Cb 0.10 -0.92 0.00 0.00 -1.03 0.00 0.00 41.12 39.28 1ds9 n ASP 140 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ds9 n LYS 141 N -1.01 0.00 0.00 0.11 5.02 -0.66 -4.62 118.16 117.01 1ds9 n LYS 141 Ca 0.61 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1ds9 n LYS 141 Cb 1.10 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.11 1ds9 n LYS 141 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ds9 n LEU 142 N -3.46 0.00 0.07 -0.35 4.77 0.29 0.96 117.00 119.29 1ds9 n LEU 142 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1ds9 n LEU 142 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1ds9 n LEU 142 CO 0.00 0.00 0.51 -0.33 -1.33 0.00 0.00 177.39 176.24 1ds9 h GLU 143 N 0.00 -0.35 -4.46 3.23 3.07 -1.80 -3.34 114.58 110.93 1ds9 h GLU 143 Ca 0.00 0.02 -0.49 0.00 -0.50 0.00 0.00 59.36 58.40 1ds9 h GLU 143 Cb 0.00 0.08 -0.33 0.00 -0.84 0.00 0.00 28.75 27.66 1ds9 h GLU 143 CO 0.00 -0.24 -0.80 -0.51 -1.40 0.00 0.00 179.01 176.06 1ds9 s ASP 144 N -3.37 1.58 -0.20 1.42 1.11 -0.68 -1.53 116.67 114.98 1ds9 s ASP 144 Ca -0.07 -0.26 -0.18 0.00 0.18 0.00 0.00 52.55 52.22 1ds9 s ASP 144 Cb 0.02 -0.72 0.05 0.00 1.07 0.00 0.00 42.92 43.35 1ds9 s ASP 144 CO 0.27 0.02 0.54 -1.48 1.18 0.00 0.00 175.17 175.70 1ds9 s LEU 145 N 0.67 -0.10 -0.21 1.23 2.34 -0.73 -1.59 118.68 120.30 1ds9 s LEU 145 Ca -0.13 1.09 -0.05 0.00 0.06 0.00 0.00 54.13 55.09 1ds9 s LEU 145 Cb -0.15 1.83 -0.02 0.00 -0.56 0.00 0.00 46.19 47.29 1ds9 s LEU 145 CO 0.03 -0.19 0.01 -0.22 -1.06 0.00 0.00 176.35 174.92 1ds9 s LEU 146 N 0.44 3.28 -0.31 1.48 2.96 -0.51 0.83 118.68 126.84 1ds9 s LEU 146 Ca -0.01 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 1ds9 s LEU 146 Cb -0.04 -1.84 0.10 0.00 0.50 0.00 0.00 46.19 44.90 1ds9 s LEU 146 CO -0.01 0.04 0.08 -0.76 -1.32 0.00 0.00 176.35 174.38 1ds9 s LEU 147 N 1.13 2.90 -0.35 -0.68 1.43 -1.23 0.74 118.68 122.61 1ds9 s LEU 147 Ca 0.03 -1.75 0.04 0.00 -1.03 0.00 0.00 54.13 51.42 1ds9 s LEU 147 Cb -0.14 -1.07 0.17 0.00 0.03 0.00 0.00 46.19 45.17 1ds9 s LEU 147 CO 0.02 -0.40 0.47 0.00 0.23 0.00 0.00 176.35 176.67 1ds9 s ALA 148 N 1.43 -1.31 0.00 4.21 0.00 -0.69 -4.92 121.76 120.48 1ds9 s ALA 148 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1ds9 s ALA 148 Cb -0.18 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1ds9 s ALA 148 CO -0.20 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 173.94 1ds9 n GLY 149 N 4.68 0.29 3.63 0.00 0.00 -0.22 -3.40 105.19 110.17 1ds9 n GLY 149 Ca 0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 1ds9 n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ds9 s ASN 150 N 0.00 -0.06 0.21 1.61 2.20 -1.26 0.42 114.94 118.06 1ds9 s ASN 150 Ca 0.00 0.01 -0.08 0.00 -0.94 0.00 0.00 52.86 51.86 1ds9 s ASN 150 Cb 0.00 0.06 0.14 0.00 -2.00 0.00 0.00 41.25 39.45 1ds9 s ASN 150 CO 0.00 -0.09 1.72 1.55 -2.94 0.00 0.00 177.10 177.34 1ds9 h PRO 151 N 2.02 1.12 0.09 3.55 0.13 -1.77 -0.60 132.00 136.53 1ds9 h PRO 151 Ca -0.05 -0.27 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1ds9 h PRO 151 Cb 1.15 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1ds9 h PRO 151 CO 0.21 0.99 -0.09 1.25 -0.23 0.00 0.00 178.00 180.12 1ds9 h LEU 152 N 1.06 -0.26 -0.30 1.56 5.85 -1.42 0.54 115.31 122.33 1ds9 h LEU 152 Ca 0.22 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.98 1ds9 h LEU 152 Cb 0.38 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1ds9 h LEU 152 CO 0.00 -0.12 0.14 0.22 -0.34 0.00 0.00 178.44 178.35 1ds9 h TYR 153 N -0.18 0.26 -0.25 1.25 5.03 -1.85 -0.28 116.97 120.96 1ds9 h TYR 153 Ca -0.01 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.38 1ds9 h TYR 153 Cb 0.16 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 1ds9 h TYR 153 CO -0.12 0.14 0.20 -0.91 -1.32 0.00 0.00 178.16 176.15 1ds9 h ASN 154 N 0.30 0.00 0.03 -2.11 4.21 -1.03 -0.72 115.58 116.26 1ds9 h ASN 154 Ca 0.13 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.64 1ds9 h ASN 154 Cb 0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1ds9 h ASN 154 CO -0.10 0.00 -0.01 -0.78 -1.29 0.00 0.00 177.43 175.25 1ds9 h ASP 155 N 0.00 -0.04 0.32 5.81 1.82 0.18 -3.30 116.42 121.22 1ds9 h ASP 155 Ca 0.12 -0.43 -0.01 0.00 -0.39 0.00 0.00 57.03 56.31 1ds9 h ASP 155 Cb 0.51 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 1ds9 h ASP 155 CO -0.00 0.42 -0.27 0.22 -1.61 0.00 0.00 179.24 178.00 1ds9 h TYR 156 N -0.50 -0.75 0.00 0.28 3.20 -0.42 -3.46 116.97 115.32 1ds9 h TYR 156 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ds9 h TYR 156 Cb 0.47 0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.02 1ds9 h TYR 156 CO 0.08 -0.38 0.00 1.17 -1.64 0.00 0.00 178.16 177.39 1ds9 n LYS 157 N -4.02 0.00 0.00 1.82 3.00 -0.40 -4.87 118.16 113.69 1ds9 n LYS 157 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1ds9 n LYS 157 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.29 1ds9 n LYS 157 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1ds9 n GLU 158 N 0.00 0.00 -2.14 1.64 2.13 -1.18 -1.50 120.64 119.60 1ds9 n GLU 158 Ca 0.00 0.20 -0.25 0.00 0.66 0.00 0.00 57.16 57.77 1ds9 n GLU 158 Cb 0.00 -0.30 0.02 0.00 0.27 0.00 0.00 31.44 31.42 1ds9 n GLU 158 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ds9 n ASN 159 N -2.14 4.93 0.00 4.31 6.94 -1.26 -4.41 115.26 123.62 1ds9 n ASN 159 Ca 0.00 -3.74 0.00 0.00 -0.02 0.00 0.00 54.58 50.82 1ds9 n ASN 159 Cb 0.00 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.03 1ds9 n ASN 159 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1ds9 n ASN 160 N -0.65 1.80 -0.00 0.53 5.15 -0.56 -4.81 115.26 116.72 1ds9 n ASN 160 Ca 0.43 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.50 1ds9 n ASN 160 Cb 0.87 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 40.00 1ds9 n ASN 160 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ds9 n ALA 161 N -2.27 4.48 -0.22 5.20 0.00 -1.07 -4.46 120.51 122.18 1ds9 n ALA 161 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 53.44 52.90 1ds9 n ALA 161 Cb 0.30 -0.73 0.14 0.00 0.00 0.00 0.00 19.45 19.16 1ds9 n ALA 161 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ds9 h THR 162 N 0.00 0.62 -0.06 0.00 2.02 -1.77 0.80 112.91 114.51 1ds9 h THR 162 Ca 0.00 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1ds9 h THR 162 Cb 0.51 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1ds9 h THR 162 CO 0.00 0.05 -0.06 0.77 0.37 0.00 0.00 175.52 176.65 1ds9 h SER 163 N 0.30 0.08 0.36 4.18 4.64 -1.84 0.25 113.55 121.53 1ds9 h SER 163 Ca 0.35 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.49 1ds9 h SER 163 Cb 0.54 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1ds9 h SER 163 CO -0.42 0.16 -0.70 -0.33 -0.87 0.00 0.00 176.83 174.67 1ds9 h GLU 164 N 0.09 0.30 0.80 4.77 4.39 0.09 -0.22 114.58 124.80 1ds9 h GLU 164 Ca 0.02 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 1ds9 h GLU 164 Cb 0.17 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1ds9 h GLU 164 CO 0.01 0.88 -0.39 1.88 -1.16 0.00 0.00 179.01 180.24 1ds9 h TYR 165 N 0.20 -1.00 -0.14 4.33 0.05 0.19 0.32 116.97 120.93 1ds9 h TYR 165 Ca -0.02 -0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.62 1ds9 h TYR 165 Cb 1.26 0.33 -0.01 0.00 1.01 0.00 0.00 36.73 39.32 1ds9 h TYR 165 CO 0.03 -0.61 -0.41 0.07 -1.05 0.00 0.00 178.16 176.19 1ds9 h ARG 166 N -1.15 0.32 0.04 4.88 -0.00 -1.41 -0.58 114.38 116.47 1ds9 h ARG 166 Ca -0.11 -0.15 -0.00 0.00 -0.00 0.00 0.00 59.98 59.71 1ds9 h ARG 166 Cb 0.84 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.81 1ds9 h ARG 166 CO 0.18 0.68 -0.02 0.82 -0.00 0.00 0.00 179.97 181.63 1ds9 h ILE 167 N 0.26 1.14 -0.31 0.08 2.04 -0.94 -1.56 117.51 118.23 1ds9 h ILE 167 Ca 0.02 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1ds9 h ILE 167 Cb 0.84 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1ds9 h ILE 167 CO 0.07 0.15 0.13 -0.33 0.00 0.00 0.00 178.15 178.17 1ds9 h GLU 168 N -0.31 0.43 0.18 2.37 3.07 -0.26 -0.68 114.58 119.38 1ds9 h GLU 168 Ca -0.01 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1ds9 h GLU 168 Cb 0.29 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1ds9 h GLU 168 CO 0.01 0.35 -0.10 0.28 -1.40 0.00 0.00 179.01 178.15 1ds9 h VAL 169 N 0.43 0.00 -0.38 3.13 2.07 -0.64 -1.13 116.25 119.74 1ds9 h VAL 169 Ca 0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.74 1ds9 h VAL 169 Cb 0.08 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1ds9 h VAL 169 CO -0.01 0.00 0.33 1.62 0.02 0.00 0.00 177.57 179.53 1ds9 h VAL 170 N -0.26 0.58 0.00 2.57 3.04 -1.19 0.73 116.25 121.72 1ds9 h VAL 170 Ca -0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1ds9 h VAL 170 Cb 0.20 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 30.23 1ds9 h VAL 170 CO 0.04 0.00 0.00 1.17 -1.01 0.00 0.00 177.57 177.77 1ds9 n LYS 171 N -4.06 0.00 -0.10 4.17 4.81 -0.27 -4.54 118.16 118.17 1ds9 n LYS 171 Ca 0.06 0.50 -0.12 0.00 -0.87 0.00 0.00 58.31 57.88 1ds9 n LYS 171 Cb 0.51 -1.38 -0.14 0.00 0.02 0.00 0.00 35.03 34.04 1ds9 n LYS 171 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1ds9 n ARG 172 N -1.99 0.82 -2.53 1.64 1.74 -0.47 -4.95 116.66 110.92 1ds9 n ARG 172 Ca 0.00 0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 1ds9 n ARG 172 Cb 0.00 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 29.92 1ds9 n ARG 172 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ds9 s LEU 173 N -5.72 4.43 -0.04 0.55 1.43 0.25 -4.99 118.68 114.60 1ds9 s LEU 173 Ca -0.17 1.97 -0.02 0.00 -1.03 0.00 0.00 54.13 54.88 1ds9 s LEU 173 Cb 0.06 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 1ds9 s LEU 173 CO 0.70 -0.30 -0.04 1.55 0.23 0.00 0.00 176.35 178.49 1ds9 h PRO 174 N 5.97 0.00 0.00 1.29 0.13 -1.86 -3.36 132.00 134.18 1ds9 h PRO 174 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1ds9 h PRO 174 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ds9 h PRO 174 CO 0.76 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.62 1ds9 n ASN 175 N -2.98 0.00 -1.76 1.44 4.13 -1.26 -4.68 115.26 110.15 1ds9 n ASN 175 Ca -0.02 0.46 -0.25 0.00 1.68 0.00 0.00 54.58 56.46 1ds9 n ASN 175 Cb 0.06 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.27 1ds9 n ASN 175 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1ds9 n LEU 176 N -0.59 0.44 0.00 3.41 -0.00 0.27 -4.76 117.00 115.77 1ds9 n LEU 176 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 56.01 56.44 1ds9 n LEU 176 Cb 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 1ds9 n LEU 176 CO 0.00 -0.31 -0.33 1.17 -0.00 0.00 0.00 177.39 177.92 1ds9 n LYS 177 N 1.58 0.00 -3.37 1.96 4.81 -1.05 -4.49 118.16 117.60 1ds9 n LYS 177 Ca 0.12 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.18 1ds9 n LYS 177 Cb -0.02 -0.63 -0.04 0.00 0.02 0.00 0.00 35.03 34.36 1ds9 n LYS 177 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ds9 n LYS 178 N -2.43 3.29 -2.63 1.64 4.76 -0.59 -4.89 118.16 117.31 1ds9 n LYS 178 Ca 0.00 -4.53 -0.42 0.00 -2.87 0.00 0.00 58.31 50.49 1ds9 n LYS 178 Cb 0.33 -2.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.05 1ds9 n LYS 178 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1ds9 s LEU 179 N -1.97 3.50 0.00 -0.35 2.96 -1.26 -1.77 118.68 119.78 1ds9 s LEU 179 Ca 0.31 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1ds9 s LEU 179 Cb -0.00 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.17 1ds9 s LEU 179 CO -0.03 -1.72 0.00 -0.67 -1.32 0.00 0.00 176.35 172.61 1ds9 n ASP 180 N 8.91 0.00 0.00 3.68 -0.08 0.24 -4.36 116.55 124.94 1ds9 n ASP 180 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1ds9 n ASP 180 Cb 0.48 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.89 1ds9 n ASP 180 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ds9 n GLY 181 N -2.00 -0.41 0.31 0.27 0.00 -1.24 -4.28 105.19 97.84 1ds9 n GLY 181 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ds9 n GLY 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ds9 n MET 182 N 0.00 -0.17 0.23 1.61 2.81 -1.26 0.24 117.12 120.58 1ds9 n MET 182 Ca 0.00 1.26 0.16 0.00 -1.81 0.00 0.00 57.70 57.30 1ds9 n MET 182 Cb 0.00 -1.87 0.80 0.00 -0.71 0.00 0.00 33.22 31.44 1ds9 n MET 182 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1ds9 h PRO 183 N 0.00 0.00 0.00 0.03 0.13 -1.84 -3.22 132.00 127.11 1ds9 h PRO 183 Ca 0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.43 1ds9 h PRO 183 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1ds9 h PRO 183 CO -0.81 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 177.24 1ds9 n VAL 184 N -2.60 0.00 -3.95 1.56 0.31 0.14 -4.69 118.33 109.10 1ds9 n VAL 184 Ca -0.01 1.12 -0.28 0.00 -0.01 0.00 0.00 64.34 65.16 1ds9 n VAL 184 Cb 0.09 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 1ds9 n VAL 184 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ds9 n ASP 185 N -1.76 -2.52 -2.05 4.52 8.00 -1.22 -0.75 116.55 120.79 1ds9 n ASP 185 Ca 0.00 -0.90 -0.07 0.00 0.71 0.00 0.00 54.79 54.54 1ds9 n ASP 185 Cb 0.00 -3.46 -0.01 0.00 -0.02 0.00 0.00 41.12 37.63 1ds9 n ASP 185 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1ds9 n VAL 186 N -4.46 -0.21 0.28 2.53 0.24 -1.26 -4.73 118.33 110.72 1ds9 n VAL 186 Ca -0.12 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.28 1ds9 n VAL 186 Cb 0.59 -0.84 -0.15 0.00 -1.47 0.00 0.00 33.84 31.97 1ds9 n VAL 186 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1ds9 n ASP 187 N -1.03 0.44 0.20 -1.34 -0.08 0.07 -4.25 116.55 110.57 1ds9 n ASP 187 Ca -0.07 -0.30 0.18 0.00 -1.51 0.00 0.00 54.79 53.09 1ds9 n ASP 187 Cb 0.45 1.67 0.82 0.00 2.34 0.00 0.00 41.12 46.39 1ds9 n ASP 187 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1ds9 h GLU 188 N 0.00 0.00 -0.01 -0.67 4.81 -1.85 0.98 114.58 117.84 1ds9 h GLU 188 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ds9 h GLU 188 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1ds9 h GLU 188 CO 0.00 0.00 -0.00 -2.13 -0.73 0.00 0.00 179.01 176.15 1ds9 n ARG 189 N -3.53 1.31 0.06 1.92 3.00 -1.26 -2.86 116.66 115.30 1ds9 n ARG 189 Ca 0.03 -0.46 0.00 0.00 -0.00 0.00 0.00 57.85 57.42 1ds9 n ARG 189 Cb 0.43 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.40 1ds9 n ARG 189 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ds9 n GLU 190 N -0.44 0.00 -0.00 -0.14 1.02 0.32 -4.39 120.64 117.00 1ds9 n GLU 190 Ca 0.22 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.23 1ds9 n GLU 190 Cb 0.23 -0.44 -0.10 0.00 -0.02 0.00 0.00 31.44 31.11 1ds9 n GLU 190 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1ds9 h GLN 191 N 0.00 -0.03 0.00 3.49 -0.00 -1.17 -1.12 115.11 116.28 1ds9 h GLN 191 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1ds9 h GLN 191 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.49 1ds9 h GLN 191 CO 0.00 0.47 0.00 0.00 0.00 0.00 0.00 178.83 179.30 1ds9 h ALA 192 N 0.39 1.00 0.23 3.38 0.00 -1.64 -0.72 119.26 121.89 1ds9 h ALA 192 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1ds9 h ALA 192 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.34 1ds9 h ALA 192 CO 0.01 0.00 -1.31 -0.97 0.00 0.00 0.00 179.25 176.97 1ds9 h ASN 193 N 0.00 0.74 0.14 0.00 -0.73 -1.36 0.57 115.58 114.94 1ds9 h ASN 193 Ca 0.00 -0.93 -0.10 0.00 1.87 0.00 0.00 56.30 57.14 1ds9 h ASN 193 Cb 0.37 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 1ds9 h ASN 193 CO 0.00 1.63 -0.34 0.58 -0.37 0.00 0.00 177.43 178.93 1ds9 h VAL 194 N 0.00 1.28 0.01 2.57 2.07 -0.73 -1.46 116.25 120.00 1ds9 h VAL 194 Ca -0.23 -1.36 -0.25 0.00 0.82 0.00 0.00 66.70 65.68 1ds9 h VAL 194 Cb 2.03 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 33.31 1ds9 h VAL 194 CO 0.24 0.41 -1.30 0.00 0.02 0.00 0.00 177.57 176.95 1ds9 h ALA 195 N 1.40 0.49 -0.15 1.67 0.00 -1.15 -0.43 119.26 121.09 1ds9 h ALA 195 Ca 0.03 -1.12 -0.02 0.00 0.00 0.00 0.00 54.91 53.80 1ds9 h ALA 195 Cb 0.72 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ds9 h ALA 195 CO 0.06 1.35 0.02 0.00 0.00 0.00 0.00 179.25 180.68 1ds9 h ARG 196 N 0.01 0.25 -0.54 0.00 2.47 0.48 -3.17 114.38 113.87 1ds9 h ARG 196 Ca -0.13 -0.07 -0.35 0.00 -1.26 0.00 0.00 59.98 58.18 1ds9 h ARG 196 Cb 1.88 -0.03 -0.22 0.00 -1.65 0.00 0.00 29.97 29.95 1ds9 h ARG 196 CO 0.12 0.43 -0.14 0.41 0.56 0.00 0.00 179.97 181.34 1ds9 n GLY 197 N -0.43 5.43 0.62 0.04 0.00 -0.58 -5.06 105.19 105.21 1ds9 n GLY 197 Ca -0.05 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.35 1ds9 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93