#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ds9 n ALA 2 N 0.00 0.00 -3.21 3.17 0.00 -1.26 -0.45 120.51 118.76 1ds9 n ALA 2 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1ds9 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ds9 n ALA 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ds9 n LYS 3 N 0.00 0.23 -3.03 0.00 5.02 -1.26 -4.67 118.16 114.45 1ds9 n LYS 3 Ca 0.00 -0.58 -0.17 0.00 -2.02 0.00 0.00 58.31 55.54 1ds9 n LYS 3 Cb 0.00 0.65 -0.01 0.00 -0.02 0.00 0.00 35.03 35.65 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 -2.44 1.05 -2.00 7.82 0.00 -1.26 -4.75 120.51 118.93 1ds9 n ALA 4 Ca -0.04 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.70 1ds9 n ALA 4 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ds9 n ALA 4 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ds9 n THR 5 N 0.93 0.00 -3.10 0.00 5.66 -1.26 -3.96 114.28 112.55 1ds9 n THR 5 Ca 0.18 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 61.01 1ds9 n THR 5 Cb 0.62 -0.11 0.05 0.00 -1.55 0.00 0.00 70.33 69.33 1ds9 n THR 5 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1ds9 n THR 6 N 0.00 0.00 -0.01 1.09 -2.24 -1.26 -3.91 114.28 107.95 1ds9 n THR 6 Ca 0.00 -1.62 -0.17 0.00 -2.27 0.00 0.00 64.05 59.99 1ds9 n THR 6 Cb 0.00 -0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 67.57 1ds9 n THR 6 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1ds9 h ILE 7 N 0.13 1.44 -0.56 2.28 2.10 -1.92 0.41 117.51 121.40 1ds9 h ILE 7 Ca -0.23 -2.01 -0.10 0.00 1.08 0.00 0.00 64.86 63.61 1ds9 h ILE 7 Cb 1.03 2.57 -0.02 0.00 -1.09 0.00 0.00 36.82 39.32 1ds9 h ILE 7 CO 0.33 0.58 -0.05 0.11 -1.08 0.00 0.00 178.15 178.05 1ds9 h LYS 8 N -0.16 1.00 0.02 2.19 1.57 -1.96 -1.46 116.57 117.76 1ds9 h LYS 8 Ca -0.06 -0.33 -0.21 0.00 -1.87 0.00 0.00 60.65 58.18 1ds9 h LYS 8 Cb 1.22 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1ds9 h LYS 8 CO 0.10 1.00 -0.94 -0.44 -0.57 0.00 0.00 179.45 178.61 1ds9 h ASP 9 N 0.90 0.33 0.26 0.86 3.32 -1.95 -0.04 116.42 120.10 1ds9 h ASP 9 Ca 0.15 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1ds9 h ASP 9 Cb 0.59 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1ds9 h ASP 9 CO 0.04 1.10 -0.12 0.00 -1.72 0.00 0.00 179.24 178.53 1ds9 h ALA 10 N 0.87 -0.35 -0.21 3.45 0.00 0.10 0.42 119.26 123.55 1ds9 h ALA 10 Ca -0.06 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1ds9 h ALA 10 Cb 1.59 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1ds9 h ALA 10 CO 0.15 -0.61 -0.37 0.82 0.00 0.00 0.00 179.25 179.24 1ds9 h ILE 11 N -0.51 1.33 0.01 0.00 2.04 -1.35 -0.70 117.51 118.32 1ds9 h ILE 11 Ca -0.04 -1.59 0.01 0.00 1.00 0.00 0.00 64.86 64.24 1ds9 h ILE 11 Cb 0.38 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1ds9 h ILE 11 CO 0.06 0.49 -0.05 -0.09 0.00 0.00 0.00 178.15 178.56 1ds9 h ARG 12 N 0.30 -0.09 -0.97 2.37 2.43 -0.97 0.40 114.38 117.85 1ds9 h ARG 12 Ca 0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ds9 h ARG 12 Cb 0.96 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.49 1ds9 h ARG 12 CO 0.08 -0.06 0.62 0.82 -1.51 0.00 0.00 179.97 179.93 1ds9 h ILE 13 N -0.09 1.25 0.00 1.20 2.04 -0.16 0.65 117.51 122.41 1ds9 h ILE 13 Ca 0.02 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1ds9 h ILE 13 Cb 0.12 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.04 1ds9 h ILE 13 CO -0.05 0.25 -0.06 -0.26 0.00 0.00 0.00 178.15 178.03 1ds9 h PHE 14 N 1.32 0.00 0.00 1.37 0.04 -0.34 0.85 116.94 120.18 1ds9 h PHE 14 Ca 0.35 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.92 1ds9 h PHE 14 Cb -0.12 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 1ds9 h PHE 14 CO 0.00 0.06 -1.34 1.49 -0.60 0.00 0.00 178.31 177.93 1ds9 h GLU 15 N 0.00 0.00 0.00 1.51 4.81 0.17 0.42 114.58 121.50 1ds9 h GLU 15 Ca -0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 1ds9 h GLU 15 Cb 0.53 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 1ds9 h GLU 15 CO 0.01 0.45 -2.38 -0.85 -0.73 0.00 0.00 179.01 175.51 1ds9 n GLU 16 N -3.03 0.69 -0.01 1.92 0.28 0.02 -3.45 120.64 117.08 1ds9 n GLU 16 Ca -0.09 -0.02 -0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1ds9 n GLU 16 Cb 0.90 -1.52 -0.00 0.00 1.43 0.00 0.00 31.44 32.25 1ds9 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ds9 h ARG 17 N 0.00 0.00 0.00 3.44 3.08 0.56 -3.40 114.38 118.07 1ds9 h ARG 17 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1ds9 h ARG 17 Cb 2.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.26 1ds9 h ARG 17 CO 0.03 0.00 0.00 -0.22 -1.07 0.00 0.00 179.97 178.71 1ds9 h LYS 18 N -0.09 0.00 -5.40 0.04 3.11 -0.63 -3.31 116.57 110.30 1ds9 h LYS 18 Ca 0.00 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.62 1ds9 h LYS 18 Cb 0.04 0.00 0.17 0.00 -1.00 0.00 0.00 32.23 31.44 1ds9 h LYS 18 CO 0.00 0.00 -0.75 0.43 -2.81 0.00 0.00 179.45 176.32 1ds9 n SER 19 N -2.85 -6.71 -4.81 4.20 7.64 0.13 -4.90 113.62 106.33 1ds9 n SER 19 Ca 0.04 -0.62 -0.30 0.00 1.01 0.00 0.00 58.87 59.00 1ds9 n SER 19 Cb 0.48 -5.15 -0.05 0.00 -1.01 0.00 0.00 64.21 58.48 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 -3.34 1.44 -0.69 0.44 -7.23 -0.35 -4.96 120.40 105.71 1ds9 s VAL 20 Ca 0.40 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1ds9 s VAL 20 Cb -0.05 -2.23 0.32 0.00 0.56 0.00 0.00 36.38 34.97 1ds9 s VAL 20 CO 0.73 0.00 1.09 0.55 -0.31 0.00 0.00 175.10 177.15 1ds9 n VAL 21 N -1.43 3.57 0.02 1.32 3.14 -1.26 -4.57 118.33 119.12 1ds9 n VAL 21 Ca -0.11 -5.61 -0.01 0.00 -2.96 0.00 0.00 64.34 55.65 1ds9 n VAL 21 Cb 0.66 -1.59 -0.01 0.00 -1.06 0.00 0.00 33.84 31.85 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 3.52 -0.28 -3.31 1.55 0.00 -1.91 -3.45 119.26 115.38 1ds9 h ALA 22 Ca 0.21 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.89 1ds9 h ALA 22 Cb 0.51 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1ds9 h ALA 22 CO 0.91 -0.27 -0.25 0.25 0.00 0.00 0.00 179.25 179.89 1ds9 n THR 23 N -2.68 -0.36 -3.51 0.00 -2.24 -1.26 -0.14 114.28 104.07 1ds9 n THR 23 Ca -0.01 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 1ds9 n THR 23 Cb 0.03 -1.37 0.08 0.00 -2.10 0.00 0.00 70.33 66.97 1ds9 n THR 23 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ds9 n GLU 24 N -2.47 -7.38 -3.33 -0.78 2.13 -1.26 -4.98 120.64 102.56 1ds9 n GLU 24 Ca -0.12 0.80 -0.30 0.00 0.66 0.00 0.00 57.16 58.20 1ds9 n GLU 24 Cb 0.53 -5.73 -0.04 0.00 0.27 0.00 0.00 31.44 26.46 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 -3.31 3.59 0.63 4.31 0.00 0.80 -4.67 121.76 123.10 1ds9 s ALA 25 Ca 0.45 -0.44 0.44 0.00 0.00 0.00 0.00 51.96 52.41 1ds9 s ALA 25 Cb -0.20 -2.37 2.38 0.00 0.00 0.00 0.00 23.12 22.93 1ds9 s ALA 25 CO 0.70 0.32 2.35 0.93 0.00 0.00 0.00 175.76 180.05 1ds9 h GLU 26 N 1.95 0.00 -4.27 0.00 5.08 -1.79 -3.37 114.58 112.17 1ds9 h GLU 26 Ca -0.47 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.28 1ds9 h GLU 26 Cb 1.18 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.05 1ds9 h GLU 26 CO 0.67 0.00 -0.78 0.15 -1.00 0.00 0.00 179.01 178.05 1ds9 s LYS 27 N -4.12 1.50 -0.04 2.33 1.02 -1.26 0.03 119.74 119.21 1ds9 s LYS 27 Ca -0.05 -0.99 0.05 0.00 0.02 0.00 0.00 55.97 55.00 1ds9 s LYS 27 Cb 0.13 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 1ds9 s LYS 27 CO 0.41 -0.63 -0.17 0.08 -0.92 0.00 0.00 175.35 174.11 1ds9 s VAL 28 N 1.42 2.79 -0.55 3.17 1.01 -0.52 -4.89 120.40 122.83 1ds9 s VAL 28 Ca -0.04 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1ds9 s VAL 28 Cb -0.19 -2.07 0.15 0.00 0.00 0.00 0.00 36.38 34.27 1ds9 s VAL 28 CO -0.07 0.59 0.33 -1.61 0.00 0.00 0.00 175.10 174.34 1ds9 s GLU 29 N -0.68 1.90 0.59 2.72 2.02 -1.26 -0.42 118.70 123.57 1ds9 s GLU 29 Ca 0.11 -2.68 -0.01 0.00 0.02 0.00 0.00 54.97 52.41 1ds9 s GLU 29 Cb -0.11 -2.99 0.04 0.00 0.10 0.00 0.00 34.13 31.18 1ds9 s GLU 29 CO 0.00 -1.20 0.84 -0.51 0.02 0.00 0.00 175.26 174.42 1ds9 s LEU 30 N -0.49 3.15 -0.09 1.80 2.01 0.10 -4.78 118.68 120.39 1ds9 s LEU 30 Ca 0.21 0.07 -0.09 0.00 0.01 0.00 0.00 54.13 54.33 1ds9 s LEU 30 Cb -0.17 -2.87 -0.04 0.00 0.01 0.00 0.00 46.19 43.12 1ds9 s LEU 30 CO -0.07 -1.29 -0.20 1.57 1.01 0.00 0.00 176.35 177.38 1ds9 n HIS 31 N -2.50 0.00 -4.27 0.29 -0.00 -1.26 -3.67 115.22 103.81 1ds9 n HIS 31 Ca 0.08 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.11 1ds9 n HIS 31 Cb 0.60 -0.37 -0.10 0.00 -0.12 0.00 0.00 29.99 30.00 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 -4.77 1.14 0.12 1.57 0.00 -1.26 0.10 107.32 104.23 1ds9 s GLY 32 Ca -0.18 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1ds9 s GLY 32 CO 0.25 -1.58 0.01 -0.13 0.00 0.00 0.00 173.10 171.66 1ds9 n MET 33 N -0.09 1.40 -4.44 2.90 1.56 -0.45 -4.43 117.12 113.57 1ds9 n MET 33 Ca -0.11 -0.95 -0.34 0.00 -0.27 0.00 0.00 57.70 56.04 1ds9 n MET 33 Cb 0.60 0.34 -0.12 0.00 2.15 0.00 0.00 33.22 36.19 1ds9 n MET 33 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 1ds9 s ILE 34 N -1.63 3.85 0.35 1.12 -4.36 -1.26 -4.66 121.20 114.61 1ds9 s ILE 34 Ca 0.02 -0.38 0.04 0.00 -0.26 0.00 0.00 60.65 60.07 1ds9 s ILE 34 Cb 0.00 -2.67 0.21 0.00 1.25 0.00 0.00 42.46 41.25 1ds9 s ILE 34 CO 0.01 0.51 1.95 1.55 0.24 0.00 0.00 174.94 179.20 1ds9 h PRO 35 N 6.50 0.64 -0.17 0.37 0.13 -1.97 -2.12 132.00 135.39 1ds9 h PRO 35 Ca -0.33 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1ds9 h PRO 35 Cb 1.19 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ds9 h PRO 35 CO 0.61 0.53 0.00 -0.35 -0.23 0.00 0.00 178.00 178.56 1ds9 n PRO 36 N -4.37 0.98 -1.57 1.56 -0.04 -1.26 0.43 135.00 130.74 1ds9 n PRO 36 Ca 0.03 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 63.01 1ds9 n PRO 36 Cb 0.15 -1.08 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.41 0.99 0.08 0.52 3.06 -0.80 -4.73 119.36 118.07 1ds9 n ILE 37 Ca 0.00 -0.25 0.00 0.00 -2.50 0.00 0.00 62.75 60.00 1ds9 n ILE 37 Cb 0.04 -0.79 0.00 0.00 0.54 0.00 0.00 39.64 39.43 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 1.64 0.00 -2.56 9.51 0.00 -1.19 -1.74 120.64 126.30 1ds9 n GLU 38 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.89 1ds9 n GLU 38 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.66 1ds9 n GLU 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1ds9 s LYS 39 N -1.46 3.50 -0.90 5.31 1.02 -1.25 -1.62 119.74 124.33 1ds9 s LYS 39 Ca 0.00 0.29 -0.02 0.00 0.02 0.00 0.00 55.97 56.27 1ds9 s LYS 39 Cb 0.00 -4.02 0.34 0.00 -0.52 0.00 0.00 37.83 33.63 1ds9 s LYS 39 CO 0.00 -1.70 1.95 -1.33 -0.92 0.00 0.00 175.35 173.35 1ds9 n MET 40 N 8.45 3.58 -0.06 1.68 2.81 -1.26 -4.10 117.12 128.22 1ds9 n MET 40 Ca 0.09 -3.89 0.08 0.00 -1.81 0.00 0.00 57.70 52.18 1ds9 n MET 40 Cb 0.49 -2.33 0.46 0.00 -0.71 0.00 0.00 33.22 31.13 1ds9 n MET 40 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1ds9 h ASP 41 N 3.36 0.43 -0.81 7.83 5.19 -1.88 0.35 116.42 130.89 1ds9 h ASP 41 Ca 0.55 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.97 1ds9 h ASP 41 Cb 0.12 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.50 1ds9 h ASP 41 CO 1.35 0.29 0.52 0.00 -3.12 0.00 0.00 179.24 178.28 1ds9 h ALA 42 N 1.71 1.02 -0.40 3.45 0.00 -1.81 -1.47 119.26 121.77 1ds9 h ALA 42 Ca 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ds9 h ALA 42 Cb 0.27 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ds9 h ALA 42 CO -0.06 0.45 0.09 1.15 0.00 0.00 0.00 179.25 180.88 1ds9 h THR 43 N 1.10 1.23 -0.44 0.00 2.02 -1.35 0.56 112.91 116.02 1ds9 h THR 43 Ca 0.29 -0.80 0.08 0.00 0.77 0.00 0.00 66.41 66.76 1ds9 h THR 43 Cb -0.10 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 67.22 1ds9 h THR 43 CO -0.06 0.28 -0.01 -0.07 0.37 0.00 0.00 175.52 176.02 1ds9 h LEU 44 N 0.50 -0.22 0.00 2.58 4.07 -0.45 0.32 115.31 122.12 1ds9 h LEU 44 Ca 0.12 0.11 -0.03 0.00 0.08 0.00 0.00 57.88 58.16 1ds9 h LEU 44 Cb 0.32 0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 1ds9 h LEU 44 CO 0.00 -0.07 -0.24 0.28 -1.08 0.00 0.00 178.44 177.34 1ds9 h SER 45 N 0.09 0.00 -0.14 -0.43 0.02 -1.14 -3.32 113.55 108.63 1ds9 h SER 45 Ca 0.22 -0.39 0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1ds9 h SER 45 Cb 0.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1ds9 h SER 45 CO -0.38 0.83 0.49 0.00 -1.14 0.00 0.00 176.83 176.63 1ds9 h THR 46 N -1.00 0.08 -0.85 -2.27 1.03 0.12 -1.66 112.91 108.37 1ds9 h THR 46 Ca -0.04 0.00 0.22 0.00 -0.01 0.00 0.00 66.41 66.57 1ds9 h THR 46 Cb 0.56 0.54 -0.13 0.00 -1.07 0.00 0.00 68.15 68.05 1ds9 h THR 46 CO -0.03 0.00 0.22 0.25 -0.01 0.00 0.00 175.52 175.95 1ds9 h LEU 47 N 0.00 0.00 -0.82 0.00 6.46 -1.02 0.96 115.31 120.89 1ds9 h LEU 47 Ca 0.07 0.19 0.05 0.00 -0.12 0.00 0.00 57.88 58.06 1ds9 h LEU 47 Cb 1.05 0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 41.18 1ds9 h LEU 47 CO -0.00 -0.12 0.51 0.50 -0.62 0.00 0.00 178.44 178.71 1ds9 h LYS 48 N 0.23 0.93 -1.12 1.25 3.64 -1.54 -0.85 116.57 119.11 1ds9 h LYS 48 Ca 0.52 -0.06 -0.68 0.00 -1.27 0.00 0.00 60.65 59.16 1ds9 h LYS 48 Cb 1.01 -0.21 -0.30 0.00 -0.41 0.00 0.00 32.23 32.31 1ds9 h LYS 48 CO -0.62 0.62 0.72 0.00 -2.27 0.00 0.00 179.45 177.90 1ds9 n ALA 49 N -2.34 6.23 -2.69 5.00 0.00 0.29 -4.95 120.51 122.04 1ds9 n ALA 49 Ca 0.11 -3.61 -0.32 0.00 0.00 0.00 0.00 53.44 49.62 1ds9 n ALA 49 Cb 0.13 -1.66 -0.16 0.00 0.00 0.00 0.00 19.45 17.77 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 2.87 0.00 -4.12 0.00 4.76 -1.05 -4.81 118.16 115.80 1ds9 n LYS 51 Ca -0.17 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 54.98 1ds9 n LYS 51 Cb 0.52 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.54 1ds9 n LYS 51 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1ds9 s HIS 52 N -1.93 1.94 -0.03 2.13 2.46 0.11 -1.43 115.29 118.54 1ds9 s HIS 52 Ca 0.00 -1.01 0.06 0.00 0.47 0.00 0.00 55.06 54.58 1ds9 s HIS 52 Cb 0.00 -1.45 -0.01 0.00 -0.13 0.00 0.00 32.58 30.98 1ds9 s HIS 52 CO 0.00 -0.57 -0.22 -1.17 -2.47 0.00 0.00 174.74 170.31 1ds9 s LEU 53 N 1.38 2.03 -0.02 8.88 2.96 -0.55 -1.43 118.68 131.92 1ds9 s LEU 53 Ca 0.01 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1ds9 s LEU 53 Cb -0.13 -1.14 -0.00 0.00 0.50 0.00 0.00 46.19 45.41 1ds9 s LEU 53 CO -0.07 0.25 -0.13 0.00 -1.32 0.00 0.00 176.35 175.08 1ds9 s ALA 54 N -0.40 1.15 0.29 5.97 0.00 0.43 0.05 121.76 129.26 1ds9 s ALA 54 Ca 0.05 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.51 1ds9 s ALA 54 Cb -0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1ds9 s ALA 54 CO 0.00 0.23 0.31 1.28 0.00 0.00 0.00 175.76 177.59 1ds9 n LEU 55 N 3.03 0.00 0.02 0.00 4.32 0.90 0.01 117.00 125.28 1ds9 n LEU 55 Ca -0.16 -2.61 0.00 0.00 -0.02 0.00 0.00 56.01 53.22 1ds9 n LEU 55 Cb 0.54 1.74 0.00 0.00 -1.62 0.00 0.00 43.42 44.08 1ds9 n LEU 55 CO 0.25 -0.50 0.00 -0.24 -1.22 0.00 0.00 177.39 175.68 1ds9 n SER 56 N -1.80 0.03 -4.06 -1.43 2.88 0.29 -3.80 113.62 105.73 1ds9 n SER 56 Ca 0.04 0.07 -0.32 0.00 -1.33 0.00 0.00 58.87 57.33 1ds9 n SER 56 Cb 0.51 0.03 -0.14 0.00 -0.75 0.00 0.00 64.21 63.86 1ds9 n SER 56 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ds9 s THR 57 N -1.17 2.47 -0.07 2.46 -1.32 0.41 0.45 115.64 118.87 1ds9 s THR 57 Ca 0.00 -2.10 -0.03 0.00 -1.21 0.00 0.00 61.69 58.35 1ds9 s THR 57 Cb 0.00 -2.70 0.04 0.00 -1.51 0.00 0.00 72.50 68.33 1ds9 s THR 57 CO 0.00 -0.47 0.16 0.54 -2.21 0.00 0.00 174.62 172.64 1ds9 s ASN 58 N 1.11 -0.14 0.12 8.08 4.22 -0.31 -1.33 114.94 126.68 1ds9 s ASN 58 Ca 0.06 0.34 0.09 0.00 -2.14 0.00 0.00 52.86 51.21 1ds9 s ASN 58 Cb -0.20 0.23 -0.04 0.00 1.28 0.00 0.00 41.25 42.52 1ds9 s ASN 58 CO -0.06 -0.15 -0.18 0.21 -2.04 0.00 0.00 177.10 174.88 1ds9 s ASN 59 N 1.18 3.91 -0.12 3.54 2.47 -1.26 -1.43 114.94 123.23 1ds9 s ASN 59 Ca -0.09 -0.56 0.00 0.00 0.42 0.00 0.00 52.86 52.63 1ds9 s ASN 59 Cb -0.11 -0.55 0.02 0.00 -1.45 0.00 0.00 41.25 39.16 1ds9 s ASN 59 CO -0.06 0.17 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.75 1ds9 s ILE 60 N -1.17 1.26 -0.12 -5.21 1.01 -0.37 -3.43 121.20 113.16 1ds9 s ILE 60 Ca 0.18 -0.45 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 1ds9 s ILE 60 Cb -0.10 -1.22 -0.18 0.00 0.01 0.00 0.00 42.46 40.97 1ds9 s ILE 60 CO 0.10 0.40 0.57 -0.08 0.00 0.00 0.00 174.94 175.94 1ds9 h GLU 61 N 7.95 -0.01 -3.49 2.79 4.57 -0.13 -3.36 114.58 122.91 1ds9 h GLU 61 Ca -0.33 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.82 1ds9 h GLU 61 Cb 1.14 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.65 1ds9 h GLU 61 CO 0.46 0.68 -0.04 -1.59 -1.18 0.00 0.00 179.01 177.34 1ds9 s LYS 62 N -2.13 1.55 -0.19 1.92 0.00 -0.71 -4.61 119.74 115.57 1ds9 s LYS 62 Ca -0.13 -1.14 -0.11 0.00 0.00 0.00 0.00 55.97 54.59 1ds9 s LYS 62 Cb -0.02 0.50 0.06 0.00 0.00 0.00 0.00 37.83 38.38 1ds9 s LYS 62 CO 0.49 -0.66 0.47 0.96 0.00 0.00 0.00 175.35 176.61 1ds9 s ILE 63 N -3.98 -0.04 -2.47 3.79 -5.25 -1.26 -3.20 121.20 108.80 1ds9 s ILE 63 Ca 0.18 0.07 0.22 0.00 -0.99 0.00 0.00 60.65 60.14 1ds9 s ILE 63 Cb -0.02 -0.70 0.10 0.00 2.95 0.00 0.00 42.46 44.80 1ds9 s ILE 63 CO 0.07 0.03 1.15 -0.24 -1.79 0.00 0.00 174.94 174.15 1ds9 n SER 64 N 4.30 2.52 -3.25 4.36 2.88 -0.64 -4.55 113.62 119.24 1ds9 n SER 64 Ca -0.22 -1.76 -0.40 0.00 -1.33 0.00 0.00 58.87 55.16 1ds9 n SER 64 Cb 0.56 0.19 0.03 0.00 -0.75 0.00 0.00 64.21 64.24 1ds9 n SER 64 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ds9 n SER 65 N 0.76 7.41 -0.25 -3.46 2.88 -1.26 -4.72 113.62 114.98 1ds9 n SER 65 Ca 0.11 -3.77 -0.02 0.00 -1.33 0.00 0.00 58.87 53.87 1ds9 n SER 65 Cb 0.52 -1.11 0.17 0.00 -0.75 0.00 0.00 64.21 63.05 1ds9 n SER 65 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 1ds9 h LEU 66 N 3.55 0.95 -0.51 2.46 8.10 -1.85 -0.98 115.31 127.03 1ds9 h LEU 66 Ca 0.55 -0.08 -0.15 0.00 0.11 0.00 0.00 57.88 58.31 1ds9 h LEU 66 Cb 0.17 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.14 1ds9 h LEU 66 CO 1.31 0.76 -0.46 0.77 -4.11 0.00 0.00 178.44 176.71 1ds9 h SER 67 N 1.07 0.75 -0.68 0.17 4.64 -1.95 0.51 113.55 118.07 1ds9 h SER 67 Ca 0.27 -0.36 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1ds9 h SER 67 Cb 0.02 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 1ds9 h SER 67 CO -0.04 1.10 0.38 1.23 -0.87 0.00 0.00 176.83 178.62 1ds9 h GLY 68 N 0.94 1.02 2.00 -0.77 0.00 -1.61 -1.71 103.07 102.94 1ds9 h GLY 68 Ca 0.03 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1ds9 h GLY 68 CO 0.10 0.44 -0.52 -0.33 0.00 0.00 0.00 176.54 176.23 1ds9 h MET 69 N 0.93 0.00 -1.95 4.80 2.86 -1.06 -3.31 114.93 117.21 1ds9 h MET 69 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1ds9 h MET 69 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1ds9 h MET 69 CO -0.04 0.52 0.00 -1.91 1.06 0.00 0.00 176.91 176.54 1ds9 n GLU 70 N -3.50 0.37 0.00 1.72 0.00 0.16 -2.02 120.64 117.37 1ds9 n GLU 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ds9 n GLU 70 Cb 0.62 -1.31 0.00 0.00 0.00 0.00 0.00 31.44 30.75 1ds9 n GLU 70 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1ds9 n ASN 71 N 1.68 0.00 -4.85 4.31 4.13 -1.25 -4.75 115.26 114.52 1ds9 n ASN 71 Ca 0.00 -1.00 -0.31 0.00 1.68 0.00 0.00 54.58 54.95 1ds9 n ASN 71 Cb 0.19 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.45 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 0.00 3.16 0.00 3.41 2.01 -0.86 -4.56 118.68 121.84 1ds9 s LEU 72 Ca 0.00 1.47 0.00 0.00 0.01 0.00 0.00 54.13 55.61 1ds9 s LEU 72 Cb 0.00 -4.44 0.00 0.00 0.01 0.00 0.00 46.19 41.76 1ds9 s LEU 72 CO 0.00 -1.13 0.00 -1.14 1.01 0.00 0.00 176.35 175.09 1ds9 n ARG 73 N -2.92 0.00 -4.74 1.70 0.63 -0.99 -2.36 116.66 107.97 1ds9 n ARG 73 Ca 0.07 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.67 1ds9 n ARG 73 Cb 0.54 -0.29 -0.16 0.00 0.45 0.00 0.00 32.46 33.01 1ds9 n ARG 73 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1ds9 s ILE 74 N -1.80 2.45 -0.31 5.15 1.09 -0.52 -1.56 121.20 125.71 1ds9 s ILE 74 Ca 0.00 -0.86 0.03 0.00 -1.10 0.00 0.00 60.65 58.72 1ds9 s ILE 74 Cb 0.00 -2.00 0.09 0.00 -1.06 0.00 0.00 42.46 39.49 1ds9 s ILE 74 CO 0.00 0.53 0.03 -0.22 -0.10 0.00 0.00 174.94 175.18 1ds9 s LEU 75 N 0.65 3.84 -0.73 2.97 0.20 -0.52 -1.48 118.68 123.61 1ds9 s LEU 75 Ca -0.09 -1.84 -0.22 0.00 0.69 0.00 0.00 54.13 52.66 1ds9 s LEU 75 Cb -0.16 -1.41 0.08 0.00 -0.43 0.00 0.00 46.19 44.27 1ds9 s LEU 75 CO 0.02 -0.35 1.01 -0.44 -0.29 0.00 0.00 176.35 176.31 1ds9 s SER 76 N 1.13 6.28 0.09 3.68 0.01 0.11 -1.28 113.70 123.72 1ds9 s SER 76 Ca 0.06 -1.25 0.08 0.00 1.31 0.00 0.00 55.95 56.16 1ds9 s SER 76 Cb -0.19 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1ds9 s SER 76 CO -0.11 -1.36 -0.22 -0.22 0.41 0.00 0.00 173.24 171.75 1ds9 s LEU 77 N 3.77 2.27 0.00 2.44 0.20 0.19 -0.07 118.68 127.47 1ds9 s LEU 77 Ca 0.25 -0.65 0.00 0.00 0.69 0.00 0.00 54.13 54.42 1ds9 s LEU 77 Cb -0.14 -0.97 0.00 0.00 -0.43 0.00 0.00 46.19 44.65 1ds9 s LEU 77 CO 0.05 0.11 0.00 0.61 -0.29 0.00 0.00 176.35 176.83 1ds9 n GLY 78 N 1.26 0.00 2.75 7.98 0.00 -1.25 -3.06 105.19 112.87 1ds9 n GLY 78 Ca -0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.72 0.19 0.12 1.61 3.00 0.17 0.58 118.95 122.89 1ds9 s ARG 79 Ca 0.00 0.20 -0.13 0.00 -1.00 0.00 0.00 55.73 54.80 1ds9 s ARG 79 Cb 0.00 -1.22 0.02 0.00 0.00 0.00 0.00 34.95 33.75 1ds9 s ARG 79 CO 0.00 -0.65 0.32 0.54 0.00 0.00 0.00 175.30 175.51 1ds9 s ASN 80 N 2.32 -0.09 0.01 -2.12 6.03 -0.56 -1.16 114.94 119.36 1ds9 s ASN 80 Ca 0.07 -0.47 -0.02 0.00 -1.03 0.00 0.00 52.86 51.41 1ds9 s ASN 80 Cb -0.16 0.43 -0.01 0.00 -3.03 0.00 0.00 41.25 38.48 1ds9 s ASN 80 CO -0.12 -0.81 0.02 -0.76 -2.03 0.00 0.00 177.10 173.40 1ds9 s LEU 81 N -2.83 1.99 -0.13 3.54 1.02 -0.52 -0.91 118.68 120.85 1ds9 s LEU 81 Ca 0.04 -0.29 -0.04 0.00 0.02 0.00 0.00 54.13 53.86 1ds9 s LEU 81 Cb 0.03 0.23 0.06 0.00 0.02 0.00 0.00 46.19 46.54 1ds9 s LEU 81 CO -0.11 -0.24 0.24 -0.51 0.02 0.00 0.00 176.35 175.75 1ds9 s ILE 82 N -1.07 -0.38 -0.10 -0.59 2.07 -0.55 -1.24 121.20 119.33 1ds9 s ILE 82 Ca -0.12 0.26 -0.01 0.00 -1.41 0.00 0.00 60.65 59.37 1ds9 s ILE 82 Cb -0.07 -0.44 -0.00 0.00 0.13 0.00 0.00 42.46 42.07 1ds9 s ILE 82 CO -0.00 0.09 -0.01 0.50 -1.91 0.00 0.00 174.94 173.61 1ds9 h LYS 83 N 8.30 0.00 -6.65 3.50 3.64 -1.85 -3.38 116.57 120.14 1ds9 h LYS 83 Ca -0.14 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.78 1ds9 h LYS 83 Cb 1.12 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.96 1ds9 h LYS 83 CO 0.15 0.00 -0.13 0.15 -2.27 0.00 0.00 179.45 177.35 1ds9 s LYS 84 N -1.57 3.01 -0.16 1.90 1.02 -1.26 -4.37 119.74 118.31 1ds9 s LYS 84 Ca -0.01 -0.61 -0.07 0.00 0.02 0.00 0.00 55.97 55.30 1ds9 s LYS 84 Cb 0.00 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.68 1ds9 s LYS 84 CO 0.02 -0.27 0.08 -1.50 -0.92 0.00 0.00 175.35 172.76 1ds9 s ILE 85 N -2.52 4.98 0.00 2.17 -1.16 -1.26 -4.87 121.20 118.54 1ds9 s ILE 85 Ca 0.49 0.03 0.00 0.00 -0.51 0.00 0.00 60.65 60.66 1ds9 s ILE 85 Cb -0.10 -3.22 0.00 0.00 0.61 0.00 0.00 42.46 39.75 1ds9 s ILE 85 CO 0.37 0.50 0.00 -0.62 -2.81 0.00 0.00 174.94 172.38 1ds9 n GLU 86 N 3.09 0.00 -0.07 3.50 1.02 -1.26 -4.93 120.64 121.99 1ds9 n GLU 86 Ca -0.17 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.92 1ds9 n GLU 86 Cb 0.53 -0.01 -0.16 0.00 -0.02 0.00 0.00 31.44 31.78 1ds9 n GLU 86 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ds9 n ASN 87 N -2.02 0.10 -0.28 1.62 6.94 -1.26 -4.33 115.26 116.03 1ds9 n ASN 87 Ca 0.00 0.04 0.09 0.00 -0.02 0.00 0.00 54.58 54.69 1ds9 n ASN 87 Cb 0.00 1.13 0.32 0.00 -2.36 0.00 0.00 39.78 38.87 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 0.75 0.37 -4.53 3.38 -1.92 0.26 115.31 113.61 1ds9 h LEU 88 Ca -0.39 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1ds9 h LEU 88 Cb 1.91 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1ds9 h LEU 88 CO 0.03 0.42 -0.18 -0.78 0.09 0.00 0.00 178.44 178.02 1ds9 h ASP 89 N 0.82 -0.42 0.17 -0.43 1.82 -1.87 0.32 116.42 116.83 1ds9 h ASP 89 Ca 0.42 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 57.07 1ds9 h ASP 89 Cb 0.51 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.63 1ds9 h ASP 89 CO -0.19 -0.28 -0.08 0.00 -1.61 0.00 0.00 179.24 177.08 1ds9 h ALA 90 N -1.74 -0.22 -0.99 -0.78 0.00 -1.75 0.19 119.26 113.96 1ds9 h ALA 90 Ca -0.05 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.87 1ds9 h ALA 90 Cb 0.38 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1ds9 h ALA 90 CO 0.08 -0.55 0.62 -0.24 0.00 0.00 0.00 179.25 179.17 1ds9 h VAL 91 N -0.37 0.90 0.00 0.00 3.04 -0.57 0.24 116.25 119.49 1ds9 h VAL 91 Ca -0.02 -0.33 -0.12 0.00 -1.01 0.00 0.00 66.70 65.23 1ds9 h VAL 91 Cb 0.29 -0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 29.43 1ds9 h VAL 91 CO 0.04 0.17 -0.55 0.00 -1.01 0.00 0.00 177.57 176.22 1ds9 h ALA 92 N 1.55 0.65 0.00 3.17 0.00 -0.75 0.11 119.26 123.99 1ds9 h ALA 92 Ca 0.49 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1ds9 h ALA 92 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ds9 h ALA 92 CO -0.26 0.69 -0.57 -0.44 0.00 0.00 0.00 179.25 178.67 1ds9 h ASP 93 N 0.00 0.00 0.00 0.00 3.32 0.13 -3.30 116.42 116.58 1ds9 h ASP 93 Ca -0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1ds9 h ASP 93 Cb 1.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 1ds9 h ASP 93 CO 0.07 0.57 -1.72 0.35 -1.72 0.00 0.00 179.24 176.80 1ds9 n THR 94 N -3.80 0.21 -0.26 0.35 -2.24 -0.46 -5.01 114.28 103.08 1ds9 n THR 94 Ca -0.01 -0.38 -0.14 0.00 -2.27 0.00 0.00 64.05 61.25 1ds9 n THR 94 Cb 0.59 -0.02 0.13 0.00 -2.10 0.00 0.00 70.33 68.93 1ds9 n THR 94 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ds9 n LEU 95 N -2.11 0.00 0.00 3.22 4.77 0.36 -4.50 117.00 118.74 1ds9 n LEU 95 Ca -0.07 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1ds9 n LEU 95 Cb 0.50 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1ds9 n LEU 95 CO 0.30 -1.97 0.00 1.21 -1.33 0.00 0.00 177.39 175.60 1ds9 n GLU 96 N -3.55 0.00 -3.69 3.23 2.13 -0.88 -4.76 120.64 113.12 1ds9 n GLU 96 Ca 0.06 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.50 1ds9 n GLU 96 Cb 0.27 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.86 1ds9 n GLU 96 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1ds9 s GLU 97 N -1.84 2.64 -0.25 5.31 2.02 -0.60 -1.69 118.70 124.29 1ds9 s GLU 97 Ca 0.00 -1.24 -0.04 0.00 0.02 0.00 0.00 54.97 53.72 1ds9 s GLU 97 Cb 0.00 -3.58 0.01 0.00 0.10 0.00 0.00 34.13 30.66 1ds9 s GLU 97 CO 0.00 -0.74 -0.02 -0.51 0.02 0.00 0.00 175.26 174.01 1ds9 s LEU 98 N 1.43 3.27 -0.47 1.80 2.01 -0.11 -1.44 118.68 125.17 1ds9 s LEU 98 Ca 0.00 -0.67 -0.04 0.00 0.01 0.00 0.00 54.13 53.43 1ds9 s LEU 98 Cb -0.20 -1.75 0.12 0.00 0.01 0.00 0.00 46.19 44.37 1ds9 s LEU 98 CO 0.03 -0.11 0.28 0.26 1.01 0.00 0.00 176.35 177.83 1ds9 s TRP 99 N 1.42 3.53 -0.51 0.29 0.51 -0.40 -0.72 118.94 123.07 1ds9 s TRP 99 Ca 0.03 -2.37 0.04 0.00 -2.12 0.00 0.00 56.10 51.67 1ds9 s TRP 99 Cb -0.16 -3.28 0.16 0.00 -0.81 0.00 0.00 33.47 29.38 1ds9 s TRP 99 CO -0.02 -0.95 0.35 0.96 -0.51 0.00 0.00 176.95 176.78 1ds9 s ILE 100 N 0.93 1.42 0.11 2.03 -4.36 -0.08 0.53 121.20 121.79 1ds9 s ILE 100 Ca 0.10 -3.09 -0.24 0.00 -0.26 0.00 0.00 60.65 57.15 1ds9 s ILE 100 Cb -0.23 -1.97 -0.08 0.00 1.25 0.00 0.00 42.46 41.44 1ds9 s ILE 100 CO -0.03 -1.06 1.67 -1.28 0.24 0.00 0.00 174.94 174.48 1ds9 h SER 101 N 5.92 -0.44 -3.34 4.36 0.87 -1.62 -3.35 113.55 115.96 1ds9 h SER 101 Ca 0.14 0.06 -0.67 0.00 -1.23 0.00 0.00 61.79 60.10 1ds9 h SER 101 Cb 0.87 0.18 -0.32 0.00 -0.44 0.00 0.00 62.40 62.68 1ds9 h SER 101 CO 0.51 -0.22 -0.79 -0.47 -0.53 0.00 0.00 176.83 175.33 1ds9 s TYR 102 N -6.13 2.95 0.01 2.24 6.14 0.20 0.80 117.35 123.55 1ds9 s TYR 102 Ca -0.15 -1.49 -0.12 0.00 0.64 0.00 0.00 57.07 55.95 1ds9 s TYR 102 Cb 0.08 -2.01 0.02 0.00 0.42 0.00 0.00 41.96 40.47 1ds9 s TYR 102 CO 0.66 -0.73 0.26 0.54 0.64 0.00 0.00 175.55 176.92 1ds9 s ASN 103 N 1.33 -0.10 -0.17 4.32 4.22 -0.39 -1.50 114.94 122.66 1ds9 s ASN 103 Ca 0.03 -0.09 0.01 0.00 -2.14 0.00 0.00 52.86 50.66 1ds9 s ASN 103 Cb -0.15 0.29 0.03 0.00 1.28 0.00 0.00 41.25 42.70 1ds9 s ASN 103 CO -0.07 -0.48 -0.13 -1.10 -2.04 0.00 0.00 177.10 173.28 1ds9 s GLN 104 N -1.75 2.22 -0.08 3.55 -0.21 -0.08 0.51 119.66 123.81 1ds9 s GLN 104 Ca -0.11 -0.68 -0.05 0.00 0.02 0.00 0.00 55.36 54.53 1ds9 s GLN 104 Cb -0.04 -2.25 0.03 0.00 1.00 0.00 0.00 33.01 31.75 1ds9 s GLN 104 CO 0.01 -0.31 0.19 0.96 -2.12 0.00 0.00 175.29 174.02 1ds9 s ILE 105 N 1.44 -0.03 0.00 1.08 -0.00 -0.69 -1.49 121.20 121.52 1ds9 s ILE 105 Ca 0.02 0.09 0.00 0.00 -0.00 0.00 0.00 60.65 60.77 1ds9 s ILE 105 Cb -0.14 -0.30 0.00 0.00 -0.00 0.00 0.00 42.46 42.02 1ds9 s ILE 105 CO -0.10 0.04 0.23 0.00 -0.00 0.00 0.00 174.94 175.11 1ds9 n ALA 106 N 3.69 1.60 -2.68 2.27 0.00 -1.26 -4.14 120.51 120.00 1ds9 n ALA 106 Ca -0.20 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 1ds9 n ALA 106 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 1ds9 n ALA 106 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ds9 s SER 107 N -0.24 7.28 0.11 0.00 1.04 -1.26 -4.94 113.70 115.68 1ds9 s SER 107 Ca 0.00 1.59 -0.21 0.00 0.48 0.00 0.00 55.95 57.81 1ds9 s SER 107 Cb 0.00 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.46 1ds9 s SER 107 CO 0.00 -0.39 1.74 -0.07 0.98 0.00 0.00 173.24 175.50 1ds9 h LEU 108 N 7.62 0.16 -0.98 2.42 4.07 -1.97 -1.37 115.31 125.26 1ds9 h LEU 108 Ca -0.34 -0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.56 1ds9 h LEU 108 Cb 1.17 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.84 1ds9 h LEU 108 CO 0.82 0.14 0.33 0.28 -1.08 0.00 0.00 178.44 178.93 1ds9 h SER 109 N 0.17 0.96 0.12 -0.43 0.02 -1.98 0.19 113.55 112.60 1ds9 h SER 109 Ca 0.05 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1ds9 h SER 109 Cb 0.01 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1ds9 h SER 109 CO -0.01 0.83 -0.09 1.23 -1.14 0.00 0.00 176.83 177.65 1ds9 h GLY 110 N 1.10 -0.20 0.79 -3.77 0.00 -1.83 -1.02 103.07 98.14 1ds9 h GLY 110 Ca 0.25 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 1ds9 h GLY 110 CO -0.03 -0.09 0.02 -2.22 0.00 0.00 0.00 176.54 174.22 1ds9 h ILE 111 N -0.21 1.21 -0.94 2.60 2.04 -1.01 -1.01 117.51 120.20 1ds9 h ILE 111 Ca -0.00 -0.65 0.22 0.00 1.00 0.00 0.00 64.86 65.43 1ds9 h ILE 111 Cb 0.19 1.47 -0.12 0.00 -0.74 0.00 0.00 36.82 37.62 1ds9 h ILE 111 CO -0.00 0.18 0.48 -0.33 0.00 0.00 0.00 178.15 178.48 1ds9 h GLU 112 N -0.08 0.49 0.00 2.37 5.08 -0.41 0.58 114.58 122.60 1ds9 h GLU 112 Ca 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ds9 h GLU 112 Cb 0.27 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ds9 h GLU 112 CO 0.00 0.32 -0.07 0.87 -1.00 0.00 0.00 179.01 179.14 1ds9 h LYS 113 N 0.50 0.00 -1.00 2.33 1.79 -1.03 -0.04 116.57 119.12 1ds9 h LYS 113 Ca 0.59 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 59.29 1ds9 h LYS 113 Cb 1.09 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.65 1ds9 h LYS 113 CO -0.49 0.18 0.64 1.25 -1.08 0.00 0.00 179.45 179.95 1ds9 h LEU 114 N -1.00 0.51 0.15 2.94 6.46 -0.98 0.41 115.31 123.79 1ds9 h LEU 114 Ca -0.01 0.08 -0.29 0.00 -0.12 0.00 0.00 57.88 57.53 1ds9 h LEU 114 Cb 0.23 -0.01 0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1ds9 h LEU 114 CO -0.00 0.14 -1.31 1.62 -0.62 0.00 0.00 178.44 178.27 1ds9 h VAL 115 N 0.47 1.41 -0.35 1.05 3.04 0.06 -3.11 116.25 118.82 1ds9 h VAL 115 Ca 0.56 -2.88 0.10 0.00 -1.01 0.00 0.00 66.70 63.47 1ds9 h VAL 115 Cb 1.29 2.94 -0.01 0.00 -2.01 0.00 0.00 31.29 33.50 1ds9 h VAL 115 CO -0.28 0.85 0.42 -1.13 -1.01 0.00 0.00 177.57 176.42 1ds9 h ASN 116 N 0.12 0.00 -1.93 3.17 -0.73 0.18 -3.42 115.58 112.97 1ds9 h ASN 116 Ca -0.18 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 57.73 1ds9 h ASN 116 Cb 2.01 0.00 0.15 0.00 0.27 0.00 0.00 38.32 40.75 1ds9 h ASN 116 CO 0.23 0.00 -0.55 0.18 -0.37 0.00 0.00 177.43 176.92 1ds9 n LEU 117 N -3.63 -1.63 -0.01 0.34 4.77 -0.62 -4.95 117.00 111.26 1ds9 n LEU 117 Ca 0.06 -0.31 -0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1ds9 n LEU 117 Cb 0.58 -0.77 -0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1ds9 n LEU 117 CO 0.26 -3.14 0.00 0.03 -1.33 0.00 0.00 177.39 173.21 1ds9 h ARG 118 N -2.47 -0.00 -5.54 3.23 -0.00 -1.82 -3.43 114.38 104.35 1ds9 h ARG 118 Ca -0.29 0.00 -0.67 0.00 -0.50 0.00 0.00 59.98 58.52 1ds9 h ARG 118 Cb 0.87 0.00 -0.32 0.00 0.00 0.00 0.00 29.97 30.52 1ds9 h ARG 118 CO 0.19 -0.00 -0.88 0.54 0.00 0.00 0.00 179.97 179.82 1ds9 s VAL 119 N -1.18 1.96 0.00 2.04 0.11 -0.68 -1.66 120.40 120.99 1ds9 s VAL 119 Ca -0.00 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.07 1ds9 s VAL 119 Cb 0.00 -1.68 -0.00 0.00 -1.53 0.00 0.00 36.38 33.16 1ds9 s VAL 119 CO 0.00 0.54 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.55 1ds9 s LEU 120 N 0.15 2.04 -0.13 2.54 1.02 0.31 -0.94 118.68 123.69 1ds9 s LEU 120 Ca -0.12 -0.09 0.02 0.00 0.02 0.00 0.00 54.13 53.95 1ds9 s LEU 120 Cb -0.16 0.01 0.02 0.00 0.02 0.00 0.00 46.19 46.08 1ds9 s LEU 120 CO 0.06 -0.05 -0.17 -0.31 0.02 0.00 0.00 176.35 175.91 1ds9 s TYR 121 N -0.26 2.18 -0.25 0.29 1.51 0.11 -1.10 117.35 119.83 1ds9 s TYR 121 Ca -0.03 -1.10 -0.02 0.00 -1.01 0.00 0.00 57.07 54.91 1ds9 s TYR 121 Cb -0.02 -1.56 0.12 0.00 -0.11 0.00 0.00 41.96 40.39 1ds9 s TYR 121 CO -0.00 -0.56 0.28 0.00 -1.11 0.00 0.00 175.55 174.16 1ds9 s MET 122 N 1.06 0.28 0.00 -0.62 0.23 0.15 -0.90 119.30 119.50 1ds9 s MET 122 Ca -0.04 0.08 0.23 0.00 -1.03 0.00 0.00 55.69 54.93 1ds9 s MET 122 Cb -0.15 -0.84 0.42 0.00 -1.53 0.00 0.00 34.83 32.74 1ds9 s MET 122 CO -0.04 -0.84 1.40 -1.13 -2.03 0.00 0.00 175.02 172.38 1ds9 n SER 123 N 5.32 3.28 -2.80 -1.18 3.41 -1.07 -1.51 113.62 119.07 1ds9 n SER 123 Ca -0.04 -1.98 -0.10 0.00 -0.26 0.00 0.00 58.87 56.49 1ds9 n SER 123 Cb 0.48 -0.21 0.07 0.00 -0.26 0.00 0.00 64.21 64.29 1ds9 n SER 123 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ds9 n ASN 124 N 1.40 -1.91 -4.97 4.04 3.02 0.24 -3.02 115.26 114.05 1ds9 n ASN 124 Ca 0.19 -3.56 -0.21 0.00 -0.03 0.00 0.00 54.58 50.97 1ds9 n ASN 124 Cb 0.59 1.52 -0.00 0.00 -0.61 0.00 0.00 39.78 41.28 1ds9 n ASN 124 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ds9 s ASN 125 N -1.47 6.05 -0.36 6.41 2.20 0.17 -1.26 114.94 126.68 1ds9 s ASN 125 Ca 0.26 0.11 0.01 0.00 -0.94 0.00 0.00 52.86 52.30 1ds9 s ASN 125 Cb 0.29 -1.57 0.10 0.00 -2.00 0.00 0.00 41.25 38.07 1ds9 s ASN 125 CO -0.07 -0.42 0.11 -0.75 -2.94 0.00 0.00 177.10 173.02 1ds9 s LYS 126 N -4.28 1.72 -0.08 3.55 2.36 0.18 -3.97 119.74 119.22 1ds9 s LYS 126 Ca 0.43 -1.83 -0.03 0.00 -2.55 0.00 0.00 55.97 51.98 1ds9 s LYS 126 Cb -0.10 -3.35 0.05 0.00 -1.05 0.00 0.00 37.83 33.38 1ds9 s LYS 126 CO 0.34 -0.98 0.17 0.42 1.55 0.00 0.00 175.35 176.85 1ds9 s ILE 127 N 1.01 -0.18 -0.09 5.43 1.01 -1.26 -1.71 121.20 125.40 1ds9 s ILE 127 Ca 0.09 0.27 0.16 0.00 0.00 0.00 0.00 60.65 61.17 1ds9 s ILE 127 Cb -0.21 -0.30 0.35 0.00 0.01 0.00 0.00 42.46 42.31 1ds9 s ILE 127 CO -0.06 0.11 1.16 0.35 0.00 0.00 0.00 174.94 176.50 1ds9 n THR 128 N 4.84 0.99 -2.02 2.92 -2.24 -1.26 0.13 114.28 117.63 1ds9 n THR 128 Ca -0.14 -1.78 -0.35 0.00 -2.27 0.00 0.00 64.05 59.51 1ds9 n THR 128 Cb 0.51 0.35 0.03 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.36 6.61 -0.12 3.42 3.02 -1.26 -4.79 115.26 121.77 1ds9 n ASN 129 Ca 0.11 -3.80 -0.06 0.00 -0.03 0.00 0.00 54.58 50.81 1ds9 n ASN 129 Cb 0.87 -0.85 0.01 0.00 -0.61 0.00 0.00 39.78 39.20 1ds9 n ASN 129 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1ds9 h TRP 130 N 2.73 -0.55 -1.87 3.10 7.01 -1.92 0.41 115.95 124.85 1ds9 h TRP 130 Ca 0.49 0.05 0.55 0.00 2.11 0.00 0.00 58.89 62.08 1ds9 h TRP 130 Cb 0.45 0.30 -0.08 0.00 -2.10 0.00 0.00 29.16 27.73 1ds9 h TRP 130 CO 1.09 -0.30 1.34 0.41 -2.79 0.00 0.00 178.44 178.20 1ds9 n GLY 131 N -1.39 -0.94 1.57 2.65 0.00 -1.26 -1.53 105.19 104.29 1ds9 n GLY 131 Ca 0.02 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1ds9 n GLY 131 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ds9 n GLU 132 N -3.87 0.00 -0.07 1.61 1.02 -0.72 -4.82 120.64 113.80 1ds9 n GLU 132 Ca 0.43 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.69 1ds9 n GLU 132 Cb 1.92 -0.22 0.52 0.00 -0.02 0.00 0.00 31.44 33.64 1ds9 n GLU 132 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1ds9 h ILE 133 N 0.00 0.88 -0.28 -3.67 2.04 -0.27 0.24 117.51 116.45 1ds9 h ILE 133 Ca 0.00 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1ds9 h ILE 133 Cb 0.21 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 1ds9 h ILE 133 CO 0.00 0.07 -0.53 -0.78 0.00 0.00 0.00 178.15 176.91 1ds9 h ASP 134 N 0.37 -1.73 0.03 1.72 3.58 -1.24 -0.51 116.42 118.64 1ds9 h ASP 134 Ca 0.27 0.22 -0.35 0.00 0.42 0.00 0.00 57.03 57.59 1ds9 h ASP 134 Cb 0.58 0.69 -0.05 0.00 1.72 0.00 0.00 39.33 42.28 1ds9 h ASP 134 CO -0.07 -0.42 -1.99 0.29 -2.88 0.00 0.00 179.24 174.17 1ds9 n LYS 135 N -5.26 0.64 0.20 0.28 5.02 -1.13 -4.21 118.16 113.69 1ds9 n LYS 135 Ca -0.04 0.34 0.17 0.00 -2.02 0.00 0.00 58.31 56.76 1ds9 n LYS 135 Cb 0.34 -1.63 0.72 0.00 -0.02 0.00 0.00 35.03 34.43 1ds9 n LYS 135 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ds9 h LEU 136 N -0.54 0.00 -4.15 -0.35 5.85 -0.59 -1.79 115.31 113.74 1ds9 h LEU 136 Ca -0.50 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 57.96 1ds9 h LEU 136 Cb 1.68 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.65 1ds9 h LEU 136 CO -0.17 0.00 0.22 0.00 -0.34 0.00 0.00 178.44 178.15 1ds9 n ALA 137 N -2.08 6.51 -2.98 1.25 0.00 -0.20 -4.64 120.51 118.38 1ds9 n ALA 137 Ca 0.04 -2.06 -0.17 0.00 0.00 0.00 0.00 53.44 51.25 1ds9 n ALA 137 Cb 0.59 -2.47 -0.01 0.00 0.00 0.00 0.00 19.45 17.56 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 2.66 -0.96 0.22 0.00 0.00 -1.08 -4.75 120.51 116.59 1ds9 n ALA 138 Ca 0.48 0.07 0.07 0.00 0.00 0.00 0.00 53.44 54.06 1ds9 n ALA 138 Cb 0.82 -2.07 0.50 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.53 0.00 -3.99 0.00 5.85 -1.54 -1.40 115.31 113.71 1ds9 h LEU 139 Ca -0.34 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 57.71 1ds9 h LEU 139 Cb 1.23 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.96 1ds9 h LEU 139 CO 0.41 0.26 0.78 0.47 -0.34 0.00 0.00 178.44 180.03 1ds9 n ASP 140 N -3.82 7.50 0.00 1.25 9.92 -1.26 -4.52 116.55 125.61 1ds9 n ASP 140 Ca -0.02 -3.79 0.00 0.00 -0.53 0.00 0.00 54.79 50.46 1ds9 n ASP 140 Cb 0.35 -0.94 0.00 0.00 -0.64 0.00 0.00 41.12 39.89 1ds9 n ASP 140 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1ds9 n LYS 141 N -0.91 0.00 0.00 -1.24 0.00 -1.06 -4.87 118.16 110.07 1ds9 n LYS 141 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.93 1ds9 n LYS 141 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.72 1ds9 n LYS 141 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ds9 n LEU 142 N -2.25 0.00 0.00 3.14 7.99 -0.55 0.51 117.00 125.84 1ds9 n LEU 142 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1ds9 n LEU 142 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1ds9 n LEU 142 CO 0.00 0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.26 1ds9 n GLU 143 N 0.00 0.00 -4.05 3.23 1.02 -1.26 -1.19 120.64 118.40 1ds9 n GLU 143 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 1ds9 n GLU 143 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.27 1ds9 n GLU 143 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ds9 s ASP 144 N 1.23 3.77 -0.12 1.62 1.01 -0.67 0.03 116.67 123.55 1ds9 s ASP 144 Ca 0.00 -0.79 -0.06 0.00 0.71 0.00 0.00 52.55 52.40 1ds9 s ASP 144 Cb 0.00 -1.57 0.05 0.00 1.01 0.00 0.00 42.92 42.41 1ds9 s ASP 144 CO 0.00 -0.06 0.29 -0.22 0.21 0.00 0.00 175.17 175.39 1ds9 s LEU 145 N 1.29 0.22 -0.27 1.23 2.96 -0.58 -0.53 118.68 122.99 1ds9 s LEU 145 Ca 0.02 0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 54.52 1ds9 s LEU 145 Cb -0.15 0.90 0.03 0.00 0.50 0.00 0.00 46.19 47.46 1ds9 s LEU 145 CO -0.08 -0.18 -0.00 -0.22 -1.32 0.00 0.00 176.35 174.54 1ds9 s LEU 146 N 1.40 3.54 -0.33 -0.68 2.96 -0.26 0.74 118.68 126.06 1ds9 s LEU 146 Ca -0.09 -0.91 0.03 0.00 -0.22 0.00 0.00 54.13 52.95 1ds9 s LEU 146 Cb -0.10 -1.74 0.10 0.00 0.50 0.00 0.00 46.19 44.95 1ds9 s LEU 146 CO -0.10 -0.18 0.06 -0.76 -1.32 0.00 0.00 176.35 174.05 1ds9 s LEU 147 N 1.36 4.38 -0.44 -0.68 1.02 -1.24 0.32 118.68 123.42 1ds9 s LEU 147 Ca -0.00 -2.08 0.09 0.00 0.02 0.00 0.00 54.13 52.17 1ds9 s LEU 147 Cb -0.17 -1.52 0.33 0.00 0.02 0.00 0.00 46.19 44.84 1ds9 s LEU 147 CO -0.02 -0.38 0.74 0.00 0.02 0.00 0.00 176.35 176.72 1ds9 n ALA 148 N 4.34 2.79 0.00 4.21 0.00 -0.57 -4.95 120.51 126.33 1ds9 n ALA 148 Ca 0.03 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 49.70 1ds9 n ALA 148 Cb 0.42 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1ds9 n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ds9 n GLY 149 N 0.38 -1.16 0.00 0.00 0.00 -1.17 -4.25 105.19 99.00 1ds9 n GLY 149 Ca 0.26 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.89 1ds9 n GLY 149 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ds9 n ASN 150 N 0.00 0.00 0.23 1.61 0.23 -1.25 0.45 115.26 116.52 1ds9 n ASN 150 Ca 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.13 1ds9 n ASN 150 Cb 0.00 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.25 1ds9 n ASN 150 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1ds9 h PRO 151 N 0.00 0.00 0.18 -0.53 0.13 -1.80 -0.07 132.00 129.91 1ds9 h PRO 151 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1ds9 h PRO 151 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ds9 h PRO 151 CO 0.00 0.21 -0.09 1.25 -0.23 0.00 0.00 178.00 179.15 1ds9 h LEU 152 N 0.00 -0.21 -0.64 1.56 7.12 -0.67 0.83 115.31 123.30 1ds9 h LEU 152 Ca -0.00 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1ds9 h LEU 152 Cb 0.44 0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.60 1ds9 h LEU 152 CO 0.03 -0.15 0.35 0.22 -0.13 0.00 0.00 178.44 178.77 1ds9 h TYR 153 N -0.25 0.88 -0.04 1.25 5.03 -1.83 -1.18 116.97 120.82 1ds9 h TYR 153 Ca -0.02 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.24 1ds9 h TYR 153 Cb 0.19 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.18 1ds9 h TYR 153 CO 0.19 0.63 -0.07 -0.91 -1.32 0.00 0.00 178.16 176.67 1ds9 h ASN 154 N 0.87 0.06 -0.09 -2.11 4.21 -1.00 -1.67 115.58 115.85 1ds9 h ASN 154 Ca 0.23 -0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.71 1ds9 h ASN 154 Cb 0.04 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1ds9 h ASN 154 CO -0.04 0.14 -0.02 0.44 -1.29 0.00 0.00 177.43 176.67 1ds9 h ASP 155 N 0.06 0.17 0.58 5.81 5.19 0.19 -3.22 116.42 125.20 1ds9 h ASP 155 Ca 0.01 -0.36 -0.02 0.00 -0.62 0.00 0.00 57.03 56.04 1ds9 h ASP 155 Cb 0.17 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 1ds9 h ASP 155 CO 0.01 0.49 -0.50 0.22 -3.12 0.00 0.00 179.24 176.34 1ds9 h TYR 156 N -0.16 -1.36 0.00 4.55 3.20 -0.68 -3.46 116.97 119.07 1ds9 h TYR 156 Ca 0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ds9 h TYR 156 Cb 0.41 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1ds9 h TYR 156 CO 0.05 -0.69 0.00 1.63 -1.64 0.00 0.00 178.16 177.51 1ds9 n LYS 157 N -5.58 0.00 -0.13 1.82 4.76 -0.69 -4.79 118.16 113.54 1ds9 n LYS 157 Ca -0.13 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.28 1ds9 n LYS 157 Cb 0.47 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.63 1ds9 n LYS 157 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1ds9 n GLU 158 N 0.00 -0.14 -2.26 1.97 0.28 -1.23 -1.67 120.64 117.59 1ds9 n GLU 158 Ca 0.00 0.70 -0.26 0.00 -0.16 0.00 0.00 57.16 57.43 1ds9 n GLU 158 Cb 0.00 -1.03 0.01 0.00 1.43 0.00 0.00 31.44 31.85 1ds9 n GLU 158 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ds9 n ASN 159 N -3.79 4.96 0.00 -1.84 2.85 -1.26 -4.42 115.26 111.76 1ds9 n ASN 159 Ca 0.01 -3.74 0.00 0.00 -0.11 0.00 0.00 54.58 50.74 1ds9 n ASN 159 Cb 0.08 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 40.65 1ds9 n ASN 159 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1ds9 n ASN 160 N -0.58 0.00 -0.01 1.20 2.85 -0.67 -4.90 115.26 113.15 1ds9 n ASN 160 Ca 0.42 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.99 1ds9 n ASN 160 Cb 0.76 0.01 -0.15 0.00 1.24 0.00 0.00 39.78 41.64 1ds9 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ds9 n ALA 161 N -1.94 2.96 -0.16 5.20 0.00 -0.99 -4.43 120.51 121.16 1ds9 n ALA 161 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.93 1ds9 n ALA 161 Cb 0.00 -0.70 0.06 0.00 0.00 0.00 0.00 19.45 18.82 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 0.65 0.00 0.00 2.02 -1.77 0.64 112.91 114.45 1ds9 h THR 162 Ca 0.00 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1ds9 h THR 162 Cb 0.87 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1ds9 h THR 162 CO 0.00 0.03 -0.06 -1.28 0.37 0.00 0.00 175.52 174.58 1ds9 h SER 163 N 0.16 0.00 0.51 4.18 0.87 -1.88 0.13 113.55 117.53 1ds9 h SER 163 Ca 0.25 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.67 1ds9 h SER 163 Cb 0.37 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1ds9 h SER 163 CO -0.39 0.06 -0.65 -0.33 -0.53 0.00 0.00 176.83 175.00 1ds9 h GLU 164 N 0.00 0.13 0.44 2.24 4.39 -0.13 -0.71 114.58 120.95 1ds9 h GLU 164 Ca -0.00 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1ds9 h GLU 164 Cb 0.12 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1ds9 h GLU 164 CO 0.01 0.73 -0.21 1.88 -1.16 0.00 0.00 179.01 180.26 1ds9 h TYR 165 N 0.09 -0.55 -0.79 4.33 0.05 0.23 0.40 116.97 120.72 1ds9 h TYR 165 Ca -0.01 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.71 1ds9 h TYR 165 Cb 1.16 0.18 -0.04 0.00 1.01 0.00 0.00 36.73 39.05 1ds9 h TYR 165 CO 0.01 -0.23 0.32 0.07 -1.05 0.00 0.00 178.16 177.28 1ds9 h ARG 166 N -0.89 1.18 -0.24 4.88 -0.00 -1.35 0.54 114.38 118.48 1ds9 h ARG 166 Ca -0.06 -0.21 -0.02 0.00 -0.00 0.00 0.00 59.98 59.69 1ds9 h ARG 166 Cb 0.57 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.97 30.34 1ds9 h ARG 166 CO 0.10 0.95 0.07 0.82 -0.00 0.00 0.00 179.97 181.91 1ds9 h ILE 167 N 1.15 1.20 -0.17 0.08 2.04 -1.09 -1.73 117.51 118.99 1ds9 h ILE 167 Ca 0.26 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 1ds9 h ILE 167 Cb 0.21 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1ds9 h ILE 167 CO -0.02 0.20 -0.19 -0.33 0.00 0.00 0.00 178.15 177.82 1ds9 h GLU 168 N 0.22 0.29 0.34 2.37 5.08 0.17 0.67 114.58 123.74 1ds9 h GLU 168 Ca 0.08 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ds9 h GLU 168 Cb 0.25 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ds9 h GLU 168 CO -0.00 0.48 -0.20 0.28 -1.00 0.00 0.00 179.01 178.57 1ds9 h VAL 169 N 0.27 0.00 0.00 3.13 2.07 0.71 -1.10 116.25 121.33 1ds9 h VAL 169 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1ds9 h VAL 169 Cb 0.49 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1ds9 h VAL 169 CO 0.03 0.00 -0.04 1.62 0.02 0.00 0.00 177.57 179.20 1ds9 h VAL 170 N -0.50 0.64 0.00 2.57 3.04 -1.30 0.45 116.25 121.15 1ds9 h VAL 170 Ca -0.05 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1ds9 h VAL 170 Cb 0.40 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1ds9 h VAL 170 CO 0.05 0.04 0.00 1.17 -1.01 0.00 0.00 177.57 177.82 1ds9 n LYS 171 N -3.93 0.00 -0.02 4.17 4.81 0.22 -4.46 118.16 118.95 1ds9 n LYS 171 Ca -0.03 0.33 0.08 0.00 -0.87 0.00 0.00 58.31 57.82 1ds9 n LYS 171 Cb 0.13 -1.26 -0.15 0.00 0.02 0.00 0.00 35.03 33.76 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 -1.49 0.63 -2.72 1.64 1.74 -0.46 -4.93 116.66 111.07 1ds9 n ARG 172 Ca 0.00 -0.16 -0.43 0.00 -0.77 0.00 0.00 57.85 56.50 1ds9 n ARG 172 Cb 0.00 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 1ds9 n ARG 172 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1ds9 s LEU 173 N -4.43 4.15 -0.16 0.55 1.98 0.16 -4.94 118.68 115.99 1ds9 s LEU 173 Ca -0.07 1.37 -0.17 0.00 -2.89 0.00 0.00 54.13 52.37 1ds9 s LEU 173 Cb 0.11 -3.48 -0.14 0.00 0.66 0.00 0.00 46.19 43.35 1ds9 s LEU 173 CO 0.79 -0.56 0.18 1.55 -1.89 0.00 0.00 176.35 176.42 1ds9 h PRO 174 N 7.36 0.00 0.00 0.98 0.13 -1.90 -3.38 132.00 135.18 1ds9 h PRO 174 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1ds9 h PRO 174 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ds9 h PRO 174 CO 0.92 0.60 0.00 0.09 -0.23 0.00 0.00 178.00 179.38 1ds9 n ASN 175 N -4.56 0.00 -4.60 1.44 5.03 -1.26 -4.68 115.26 106.63 1ds9 n ASN 175 Ca -0.17 0.92 -0.59 0.00 0.87 0.00 0.00 54.58 55.61 1ds9 n ASN 175 Cb 0.44 -0.48 -0.08 0.00 -1.02 0.00 0.00 39.78 38.65 1ds9 n ASN 175 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1ds9 n LEU 176 N -1.94 0.99 -0.01 3.41 0.00 0.18 -4.65 117.00 114.98 1ds9 n LEU 176 Ca 0.00 1.14 0.01 0.00 0.00 0.00 0.00 56.01 57.16 1ds9 n LEU 176 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 43.42 42.37 1ds9 n LEU 176 CO 0.00 -1.26 -0.61 0.29 0.00 0.00 0.00 177.39 175.80 1ds9 n LYS 177 N 2.82 1.45 -3.28 1.96 5.02 -0.88 -4.56 118.16 120.69 1ds9 n LYS 177 Ca 0.23 -0.03 -0.07 0.00 -2.02 0.00 0.00 58.31 56.42 1ds9 n LYS 177 Cb 0.08 -1.13 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 1ds9 n LYS 177 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ds9 s LYS 178 N -2.28 0.70 -0.87 1.97 2.47 0.10 -4.79 119.74 117.04 1ds9 s LYS 178 Ca -0.02 -0.43 -0.17 0.00 -1.56 0.00 0.00 55.97 53.79 1ds9 s LYS 178 Cb 0.03 -0.27 0.16 0.00 -1.46 0.00 0.00 37.83 36.29 1ds9 s LYS 178 CO 0.23 -1.17 0.98 -1.17 0.16 0.00 0.00 175.35 174.37 1ds9 s LEU 179 N 1.79 5.68 -0.47 5.43 1.98 -1.26 -1.53 118.68 130.30 1ds9 s LEU 179 Ca 0.15 -2.24 -0.02 0.00 -2.89 0.00 0.00 54.13 49.13 1ds9 s LEU 179 Cb -0.10 -2.33 0.00 0.00 0.66 0.00 0.00 46.19 44.43 1ds9 s LEU 179 CO -0.09 -0.89 0.47 -0.67 -1.89 0.00 0.00 176.35 173.28 1ds9 n ASP 180 N 5.61 -5.98 -0.32 3.68 2.03 0.23 -3.83 116.55 117.98 1ds9 n ASP 180 Ca 0.18 0.02 0.01 0.00 0.52 0.00 0.00 54.79 55.52 1ds9 n ASP 180 Cb 0.48 -3.95 0.02 0.00 -0.72 0.00 0.00 41.12 36.95 1ds9 n ASP 180 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ds9 n GLY 181 N -1.33 0.30 0.20 0.27 0.00 -1.26 -4.28 105.19 99.10 1ds9 n GLY 181 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 1ds9 n GLY 181 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ds9 h MET 182 N 0.27 0.18 -0.02 1.61 2.86 -1.92 -0.76 114.93 117.15 1ds9 h MET 182 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ds9 h MET 182 Cb 0.31 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1ds9 h MET 182 CO 0.01 0.12 0.00 -0.35 1.06 0.00 0.00 176.91 177.76 1ds9 n PRO 183 N -5.16 1.06 0.05 -0.22 -0.04 -1.26 -4.30 135.00 125.13 1ds9 n PRO 183 Ca 0.05 -0.08 -0.02 0.00 -0.04 0.00 0.00 63.50 63.41 1ds9 n PRO 183 Cb 0.25 -1.16 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 1ds9 n PRO 183 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ds9 h VAL 184 N 0.15 0.00 -6.17 0.52 2.07 -1.43 -3.45 116.25 107.94 1ds9 h VAL 184 Ca 0.00 -0.01 -0.43 0.00 0.82 0.00 0.00 66.70 67.08 1ds9 h VAL 184 Cb 0.03 0.00 0.05 0.00 -1.52 0.00 0.00 31.29 29.85 1ds9 h VAL 184 CO 0.00 0.00 -0.88 0.47 0.02 0.00 0.00 177.57 177.18 1ds9 n ASP 185 N -2.35 -2.50 -2.09 0.57 8.00 -1.26 -0.61 116.55 116.31 1ds9 n ASP 185 Ca -0.02 -0.91 -0.07 0.00 0.71 0.00 0.00 54.79 54.50 1ds9 n ASP 185 Cb 0.05 -3.72 -0.01 0.00 -0.02 0.00 0.00 41.12 37.42 1ds9 n ASP 185 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1ds9 n VAL 186 N -4.20 -0.25 -0.01 2.53 3.14 -1.26 -4.74 118.33 113.54 1ds9 n VAL 186 Ca -0.23 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.26 1ds9 n VAL 186 Cb 0.65 -0.96 -0.17 0.00 -1.06 0.00 0.00 33.84 32.30 1ds9 n VAL 186 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ds9 n ASP 187 N -1.14 0.00 0.16 6.55 -0.08 0.22 -4.22 116.55 118.05 1ds9 n ASP 187 Ca -0.08 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.38 1ds9 n ASP 187 Cb 0.47 1.99 0.79 0.00 2.34 0.00 0.00 41.12 46.72 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 0.96 114.58 117.81 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 1.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1ds9 h GLU 188 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.82 1ds9 n ARG 189 N -3.83 1.21 0.07 1.92 5.12 -1.26 -3.05 116.66 116.84 1ds9 n ARG 189 Ca 0.03 -0.31 0.00 0.00 -1.93 0.00 0.00 57.85 55.64 1ds9 n ARG 189 Cb 0.41 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 1ds9 n ARG 189 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1ds9 n GLU 190 N -0.60 0.00 0.06 5.56 1.02 0.30 -4.39 120.64 122.59 1ds9 n GLU 190 Ca 0.21 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.22 1ds9 n GLU 190 Cb 0.18 -0.34 -0.08 0.00 -0.02 0.00 0.00 31.44 31.17 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 -0.12 0.00 3.49 4.15 -0.75 -1.27 115.11 120.61 1ds9 h GLN 191 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1ds9 h GLN 191 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1ds9 h GLN 191 CO 0.00 0.14 0.00 0.00 -1.93 0.00 0.00 178.83 177.04 1ds9 h ALA 192 N 0.51 1.00 0.06 3.38 0.00 -1.64 -0.64 119.26 121.93 1ds9 h ALA 192 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 1ds9 h ALA 192 Cb 0.31 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ds9 h ALA 192 CO 0.02 0.00 -0.91 -0.97 0.00 0.00 0.00 179.25 177.39 1ds9 h ASN 193 N 0.00 0.70 0.65 0.00 -0.73 -1.37 0.61 115.58 115.43 1ds9 h ASN 193 Ca 0.00 -0.81 -0.16 0.00 1.87 0.00 0.00 56.30 57.20 1ds9 h ASN 193 Cb 0.48 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 1ds9 h ASN 193 CO 0.00 1.42 -0.75 0.58 -0.37 0.00 0.00 177.43 178.32 1ds9 h VAL 194 N 0.06 1.50 0.14 2.57 2.07 -1.05 -1.55 116.25 119.99 1ds9 h VAL 194 Ca -0.13 -2.46 -0.28 0.00 0.82 0.00 0.00 66.70 64.65 1ds9 h VAL 194 Cb 1.61 2.33 0.01 0.00 -1.52 0.00 0.00 31.29 33.72 1ds9 h VAL 194 CO 0.18 0.71 -1.30 0.00 0.02 0.00 0.00 177.57 177.18 1ds9 h ALA 195 N 1.19 0.08 -0.18 1.67 0.00 -1.10 -2.71 119.26 118.21 1ds9 h ALA 195 Ca -0.02 -0.91 -0.16 0.00 0.00 0.00 0.00 54.91 53.83 1ds9 h ALA 195 Cb 1.31 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ds9 h ALA 195 CO 0.10 0.96 -0.52 0.07 0.00 0.00 0.00 179.25 179.86 1ds9 h ARG 196 N 0.08 0.68 0.83 0.00 0.11 0.25 -3.31 114.38 113.02 1ds9 h ARG 196 Ca -0.16 -0.48 -0.04 0.00 0.10 0.00 0.00 59.98 59.40 1ds9 h ARG 196 Cb 2.00 0.08 0.01 0.00 1.11 0.00 0.00 29.97 33.17 1ds9 h ARG 196 CO 0.21 1.10 -0.40 0.78 0.10 0.00 0.00 179.97 181.76 1ds9 h GLY 197 N 0.37 -1.17 0.00 0.08 0.00 -1.38 -3.50 103.07 97.47 1ds9 h GLY 197 Ca -0.01 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1ds9 h GLY 197 CO 0.11 -0.42 0.00 0.61 0.00 0.00 0.00 176.54 176.84