#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 3.06 0.03 3.17 0.00 -1.25 -4.57 121.76 122.19 1ds9 s ALA 2 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1ds9 s ALA 2 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1ds9 s ALA 2 CO 0.00 -0.21 0.01 1.63 0.00 0.00 0.00 175.76 177.19 1ds9 n LYS 3 N -1.48 1.72 -2.97 0.00 5.02 -1.26 -3.19 118.16 115.99 1ds9 n LYS 3 Ca 0.07 -0.20 -0.13 0.00 -2.02 0.00 0.00 58.31 56.02 1ds9 n LYS 3 Cb 0.54 0.04 -0.02 0.00 -0.02 0.00 0.00 35.03 35.57 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 -2.92 -0.07 -1.12 7.82 0.00 -1.26 -4.66 120.51 118.30 1ds9 n ALA 4 Ca -0.01 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.52 1ds9 n ALA 4 Cb 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 2.49 0.00 -2.27 0.00 5.66 -1.26 -4.45 114.28 114.44 1ds9 n THR 5 Ca 0.20 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.89 1ds9 n THR 5 Cb 0.55 -0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.32 1ds9 n THR 5 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1ds9 s THR 6 N 0.00 4.71 -0.03 1.09 2.01 -1.26 -4.03 115.64 118.12 1ds9 s THR 6 Ca 0.00 0.80 -0.15 0.00 0.31 0.00 0.00 61.69 62.65 1ds9 s THR 6 Cb 0.00 -3.81 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 1ds9 s THR 6 CO 0.00 -0.90 0.63 0.40 -0.69 0.00 0.00 174.62 174.06 1ds9 h ILE 7 N 0.28 0.00 -0.93 1.82 5.03 -1.93 0.38 117.51 122.16 1ds9 h ILE 7 Ca -0.46 -0.59 0.02 0.00 -0.12 0.00 0.00 64.86 63.72 1ds9 h ILE 7 Cb 1.19 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.93 1ds9 h ILE 7 CO 0.62 0.00 0.61 0.11 -0.68 0.00 0.00 178.15 178.82 1ds9 h LYS 8 N -1.13 1.20 -0.03 2.37 1.57 -1.95 -0.65 116.57 117.95 1ds9 h LYS 8 Ca -0.06 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 1ds9 h LYS 8 Cb 0.42 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1ds9 h LYS 8 CO 0.09 0.79 -0.53 0.22 -0.57 0.00 0.00 179.45 179.45 1ds9 h ASP 9 N 1.23 0.08 0.32 0.86 1.82 -1.97 -1.01 116.42 117.75 1ds9 h ASP 9 Ca 0.35 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.94 1ds9 h ASP 9 Cb -0.09 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 39.90 1ds9 h ASP 9 CO -0.09 0.60 -0.15 0.00 -1.61 0.00 0.00 179.24 177.98 1ds9 h ALA 10 N 1.40 -0.43 -0.45 -0.78 0.00 0.12 0.56 119.26 119.70 1ds9 h ALA 10 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1ds9 h ALA 10 Cb 0.96 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1ds9 h ALA 10 CO 0.07 -0.64 0.07 0.82 0.00 0.00 0.00 179.25 179.58 1ds9 h ILE 11 N -0.63 1.24 -0.20 0.00 2.04 -1.28 -0.68 117.51 118.01 1ds9 h ILE 11 Ca -0.04 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1ds9 h ILE 11 Cb 0.45 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1ds9 h ILE 11 CO 0.07 0.31 -0.03 0.03 0.00 0.00 0.00 178.15 178.54 1ds9 h ARG 12 N 0.60 0.30 -0.33 2.37 3.08 -1.12 0.11 114.38 119.39 1ds9 h ARG 12 Ca 0.14 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.99 1ds9 h ARG 12 Cb 0.38 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1ds9 h ARG 12 CO 0.01 0.35 -0.36 0.82 -1.07 0.00 0.00 179.97 179.73 1ds9 h ILE 13 N 0.29 1.29 0.00 2.04 2.04 0.74 0.13 117.51 124.03 1ds9 h ILE 13 Ca 0.07 -1.53 -0.10 0.00 1.00 0.00 0.00 64.86 64.30 1ds9 h ILE 13 Cb 0.25 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1ds9 h ILE 13 CO 0.01 0.50 -0.48 -0.26 0.00 0.00 0.00 178.15 177.92 1ds9 h PHE 14 N 0.61 0.00 0.00 1.37 0.04 -0.44 0.89 116.94 119.42 1ds9 h PHE 14 Ca 0.05 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.65 1ds9 h PHE 14 Cb 0.94 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 1ds9 h PHE 14 CO 0.07 0.48 -0.97 1.49 -0.60 0.00 0.00 178.31 178.77 1ds9 h GLU 15 N 0.00 0.00 0.00 1.51 4.81 -0.81 0.38 114.58 120.48 1ds9 h GLU 15 Ca -0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.88 1ds9 h GLU 15 Cb 0.92 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 1ds9 h GLU 15 CO 0.06 0.61 -2.13 0.39 -0.73 0.00 0.00 179.01 177.22 1ds9 n GLU 16 N -3.18 0.67 -0.01 1.92 -0.58 0.43 -3.40 120.64 116.49 1ds9 n GLU 16 Ca -0.03 0.12 -0.01 0.00 -0.42 0.00 0.00 57.16 56.82 1ds9 n GLU 16 Cb 0.86 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1ds9 n GLU 16 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ds9 n ARG 17 N -2.91 0.05 0.15 3.49 1.74 0.31 -4.46 116.66 115.04 1ds9 n ARG 17 Ca -0.28 0.21 0.13 0.00 -0.77 0.00 0.00 57.85 57.14 1ds9 n ARG 17 Cb 1.11 -0.78 0.48 0.00 -1.02 0.00 0.00 32.46 32.25 1ds9 n ARG 17 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1ds9 h LYS 18 N -0.11 0.00 -5.44 5.56 1.79 -1.49 -3.41 116.57 113.47 1ds9 h LYS 18 Ca 0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.15 1ds9 h LYS 18 Cb 0.07 0.00 0.16 0.00 -1.58 0.00 0.00 32.23 30.88 1ds9 h LYS 18 CO 0.00 0.00 -0.71 0.43 -1.08 0.00 0.00 179.45 178.09 1ds9 n SER 19 N -2.41 -2.56 -3.67 0.86 7.64 0.12 -4.94 113.62 108.66 1ds9 n SER 19 Ca 0.03 -0.57 -0.15 0.00 1.01 0.00 0.00 58.87 59.18 1ds9 n SER 19 Cb 0.30 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.67 1ds9 n SER 19 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1ds9 n VAL 20 N -4.06 0.00 -3.46 0.44 0.24 -0.48 -4.95 118.33 106.06 1ds9 n VAL 20 Ca -0.24 -1.28 -0.26 0.00 -2.04 0.00 0.00 64.34 60.52 1ds9 n VAL 20 Cb 0.65 -0.25 -0.09 0.00 -1.47 0.00 0.00 33.84 32.67 1ds9 n VAL 20 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1ds9 n VAL 21 N -1.29 0.97 -0.07 3.34 0.31 -1.26 -4.40 118.33 115.93 1ds9 n VAL 21 Ca -0.01 -4.61 -0.05 0.00 -0.01 0.00 0.00 64.34 59.67 1ds9 n VAL 21 Cb 0.37 -2.02 -0.02 0.00 -0.91 0.00 0.00 33.84 31.25 1ds9 n VAL 21 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ds9 h ALA 22 N 4.58 0.02 -6.54 3.52 0.00 -1.91 -3.46 119.26 115.48 1ds9 h ALA 22 Ca 0.17 -0.46 -0.51 0.00 0.00 0.00 0.00 54.91 54.10 1ds9 h ALA 22 Cb 0.77 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 1ds9 h ALA 22 CO 0.66 0.41 -0.82 2.41 0.00 0.00 0.00 179.25 181.91 1ds9 n THR 23 N -4.63 -1.77 -3.03 0.00 -1.04 -1.26 -0.04 114.28 102.51 1ds9 n THR 23 Ca -0.08 -0.09 -0.22 0.00 -2.04 0.00 0.00 64.05 61.62 1ds9 n THR 23 Cb 0.25 -2.29 0.03 0.00 -1.82 0.00 0.00 70.33 66.50 1ds9 n THR 23 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1ds9 n GLU 24 N -4.49 -4.48 -3.95 -2.82 2.13 -1.26 -4.97 120.64 100.80 1ds9 n GLU 24 Ca -0.00 0.85 -0.27 0.00 0.66 0.00 0.00 57.16 58.40 1ds9 n GLU 24 Cb 0.54 -5.68 -0.03 0.00 0.27 0.00 0.00 31.44 26.53 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 -3.13 3.95 0.66 4.31 0.00 0.95 -4.58 121.76 123.92 1ds9 s ALA 25 Ca 0.30 -1.03 0.44 0.00 0.00 0.00 0.00 51.96 51.67 1ds9 s ALA 25 Cb -0.14 -1.76 2.39 0.00 0.00 0.00 0.00 23.12 23.61 1ds9 s ALA 25 CO 0.37 0.56 2.36 0.93 0.00 0.00 0.00 175.76 179.98 1ds9 h GLU 26 N 2.24 0.00 -3.87 0.00 5.08 -0.59 -3.34 114.58 114.10 1ds9 h GLU 26 Ca -0.48 0.00 -0.78 0.00 -1.00 0.00 0.00 59.36 57.10 1ds9 h GLU 26 Cb 1.19 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.18 1ds9 h GLU 26 CO 0.69 0.00 0.02 0.15 -1.00 0.00 0.00 179.01 178.87 1ds9 s LYS 27 N -4.19 3.44 -0.96 2.33 1.02 -1.25 -0.08 119.74 120.05 1ds9 s LYS 27 Ca -0.05 -2.33 -0.02 0.00 0.02 0.00 0.00 55.97 53.59 1ds9 s LYS 27 Cb 0.13 -4.37 0.28 0.00 -0.52 0.00 0.00 37.83 33.35 1ds9 s LYS 27 CO 0.42 -1.29 1.15 0.28 -0.92 0.00 0.00 175.35 174.98 1ds9 n VAL 28 N 4.18 4.18 -2.64 3.17 0.31 -0.56 -4.59 118.33 122.38 1ds9 n VAL 28 Ca 0.08 -5.55 -0.43 0.00 -0.01 0.00 0.00 64.34 58.43 1ds9 n VAL 28 Cb 0.45 -2.22 -0.00 0.00 -0.91 0.00 0.00 33.84 31.16 1ds9 n VAL 28 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ds9 s GLU 29 N -2.23 3.95 0.52 5.55 2.02 -1.26 -1.34 118.70 125.91 1ds9 s GLU 29 Ca 0.32 -1.97 0.01 0.00 0.02 0.00 0.00 54.97 53.35 1ds9 s GLU 29 Cb 0.02 -5.44 0.10 0.00 0.10 0.00 0.00 34.13 28.92 1ds9 s GLU 29 CO 0.01 -2.18 0.72 1.28 0.02 0.00 0.00 175.26 175.11 1ds9 n LEU 30 N 8.04 0.00 0.00 1.80 4.32 0.15 -4.82 117.00 126.49 1ds9 n LEU 30 Ca 0.45 -1.60 0.00 0.00 -0.02 0.00 0.00 56.01 54.84 1ds9 n LEU 30 Cb 0.46 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1ds9 n LEU 30 CO 0.73 -0.83 -0.48 1.57 -1.22 0.00 0.00 177.39 177.16 1ds9 n HIS 31 N -2.39 0.00 -4.29 -1.77 -0.00 -1.26 -3.74 115.22 101.77 1ds9 n HIS 31 Ca 0.12 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.14 1ds9 n HIS 31 Cb 0.44 0.01 -0.10 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 -4.79 1.22 0.20 1.57 0.00 -1.26 0.11 107.32 104.37 1ds9 s GLY 32 Ca 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.17 1ds9 s GLY 32 CO 0.00 -1.65 0.04 1.03 0.00 0.00 0.00 173.10 172.52 1ds9 n MET 33 N -0.25 1.05 -4.00 2.90 0.00 -0.46 -3.92 117.12 112.43 1ds9 n MET 33 Ca -0.09 -1.60 -0.35 0.00 0.00 0.00 0.00 57.70 55.65 1ds9 n MET 33 Cb 0.60 0.69 -0.11 0.00 0.00 0.00 0.00 33.22 34.40 1ds9 n MET 33 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1ds9 s ILE 34 N -2.07 4.46 0.46 2.02 2.07 -1.19 -4.59 121.20 122.35 1ds9 s ILE 34 Ca 0.06 -0.14 0.11 0.00 -1.41 0.00 0.00 60.65 59.27 1ds9 s ILE 34 Cb 0.00 -3.03 0.25 0.00 0.13 0.00 0.00 42.46 39.82 1ds9 s ILE 34 CO 0.04 0.42 2.08 1.55 -1.91 0.00 0.00 174.94 177.12 1ds9 h PRO 35 N 7.23 0.26 -0.31 3.50 0.13 -1.91 -1.91 132.00 139.00 1ds9 h PRO 35 Ca -0.36 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1ds9 h PRO 35 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ds9 h PRO 35 CO 0.64 0.20 0.00 -0.35 -0.23 0.00 0.00 178.00 178.26 1ds9 n PRO 36 N -4.48 1.53 -1.66 1.56 -0.04 -1.26 -0.15 135.00 130.50 1ds9 n PRO 36 Ca -0.00 -0.70 -0.51 0.00 -0.04 0.00 0.00 63.50 62.25 1ds9 n PRO 36 Cb 0.10 -1.24 -0.06 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 0.07 0.19 0.04 0.52 3.06 -0.72 -4.69 119.36 117.83 1ds9 n ILE 37 Ca 0.06 -0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 1ds9 n ILE 37 Cb 0.21 -1.30 0.00 0.00 0.54 0.00 0.00 39.64 39.10 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 4.26 0.00 -3.37 9.51 2.13 -1.25 -0.96 120.64 130.97 1ds9 n GLU 38 Ca 0.21 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.57 1ds9 n GLU 38 Cb 0.22 -0.18 -0.04 0.00 0.27 0.00 0.00 31.44 31.71 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 3.27 -1.35 5.31 1.02 -1.26 -2.33 119.74 122.39 1ds9 s LYS 39 Ca 0.00 -2.19 -0.11 0.00 0.02 0.00 0.00 55.97 53.69 1ds9 s LYS 39 Cb 0.00 -4.31 -0.06 0.00 -0.52 0.00 0.00 37.83 32.94 1ds9 s LYS 39 CO 0.00 -1.29 2.54 -1.33 -0.92 0.00 0.00 175.35 174.36 1ds9 n MET 40 N 4.39 2.98 -0.13 1.68 2.81 -1.26 -4.33 117.12 123.26 1ds9 n MET 40 Ca 0.03 -2.05 0.01 0.00 -1.81 0.00 0.00 57.70 53.88 1ds9 n MET 40 Cb 0.44 -2.81 0.30 0.00 -0.71 0.00 0.00 33.22 30.44 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 5.73 0.71 -0.46 7.83 3.32 -1.90 -0.99 116.42 130.66 1ds9 h ASP 41 Ca 0.69 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.72 1ds9 h ASP 41 Cb 0.34 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1ds9 h ASP 41 CO 1.73 0.55 0.29 0.00 -1.72 0.00 0.00 179.24 180.09 1ds9 h ALA 42 N 1.57 0.59 -0.74 3.45 0.00 -1.77 -1.28 119.26 121.08 1ds9 h ALA 42 Ca 0.21 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1ds9 h ALA 42 Cb -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1ds9 h ALA 42 CO -0.04 -0.00 0.30 1.15 0.00 0.00 0.00 179.25 180.66 1ds9 h THR 43 N 0.59 1.25 -0.53 0.00 2.02 -1.69 0.16 112.91 114.70 1ds9 h THR 43 Ca 0.18 -0.78 0.05 0.00 0.77 0.00 0.00 66.41 66.63 1ds9 h THR 43 Cb -0.02 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 1ds9 h THR 43 CO -0.06 0.32 0.26 -0.07 0.37 0.00 0.00 175.52 176.33 1ds9 h LEU 44 N 1.06 0.37 0.16 2.58 4.07 -0.33 0.40 115.31 123.62 1ds9 h LEU 44 Ca 0.25 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 1ds9 h LEU 44 Cb 0.20 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1ds9 h LEU 44 CO -0.02 0.25 -0.08 -1.28 -1.08 0.00 0.00 178.44 176.23 1ds9 h SER 45 N 0.51 -0.18 0.00 -0.43 0.87 -0.96 -3.23 113.55 110.12 1ds9 h SER 45 Ca 0.24 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1ds9 h SER 45 Cb 0.16 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1ds9 h SER 45 CO -0.17 0.10 0.36 0.00 -0.53 0.00 0.00 176.83 176.59 1ds9 h THR 46 N -0.69 0.00 -0.89 2.23 1.03 -1.00 -1.83 112.91 111.76 1ds9 h THR 46 Ca -0.02 0.00 0.22 0.00 -0.01 0.00 0.00 66.41 66.60 1ds9 h THR 46 Cb 0.17 0.55 -0.13 0.00 -1.07 0.00 0.00 68.15 67.66 1ds9 h THR 46 CO 0.04 0.00 0.35 0.25 -0.01 0.00 0.00 175.52 176.15 1ds9 h LEU 47 N 0.00 0.24 -0.78 0.00 7.12 -0.22 0.89 115.31 122.56 1ds9 h LEU 47 Ca 0.00 0.17 0.08 0.00 0.13 0.00 0.00 57.88 58.25 1ds9 h LEU 47 Cb 0.71 0.17 -0.06 0.00 -0.53 0.00 0.00 40.66 40.95 1ds9 h LEU 47 CO 0.00 -0.05 0.45 0.50 -0.13 0.00 0.00 178.44 179.21 1ds9 h LYS 48 N 0.34 0.77 -1.53 1.25 1.63 -1.53 -0.81 116.57 116.70 1ds9 h LYS 48 Ca 0.56 -0.05 -0.71 0.00 -0.85 0.00 0.00 60.65 59.60 1ds9 h LYS 48 Cb 1.08 -0.17 -0.30 0.00 -0.60 0.00 0.00 32.23 32.24 1ds9 h LYS 48 CO -0.56 0.51 0.76 0.00 -3.45 0.00 0.00 179.45 176.71 1ds9 n ALA 49 N -2.37 6.27 -2.46 5.00 0.00 0.29 -4.97 120.51 122.27 1ds9 n ALA 49 Ca 0.12 -3.88 -0.32 0.00 0.00 0.00 0.00 53.44 49.35 1ds9 n ALA 49 Cb 0.22 -1.72 -0.13 0.00 0.00 0.00 0.00 19.45 17.82 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 2.20 0.00 -3.91 0.00 4.81 -1.20 -4.63 118.16 115.43 1ds9 n LYS 51 Ca -0.17 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.00 1ds9 n LYS 51 Cb 0.52 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.40 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 -1.55 1.55 0.00 5.64 2.46 0.89 -1.69 115.29 122.59 1ds9 s HIS 52 Ca 0.00 -0.81 0.07 0.00 0.47 0.00 0.00 55.06 54.79 1ds9 s HIS 52 Cb 0.00 -1.26 -0.03 0.00 -0.13 0.00 0.00 32.58 31.16 1ds9 s HIS 52 CO 0.00 -0.54 -0.22 -1.17 -2.47 0.00 0.00 174.74 170.35 1ds9 s LEU 53 N 1.69 2.36 -0.03 8.88 2.96 -0.56 -1.50 118.68 132.48 1ds9 s LEU 53 Ca 0.04 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1ds9 s LEU 53 Cb -0.13 -1.42 0.01 0.00 0.50 0.00 0.00 46.19 45.16 1ds9 s LEU 53 CO -0.08 0.30 -0.04 0.00 -1.32 0.00 0.00 176.35 175.20 1ds9 s ALA 54 N -0.76 0.53 0.02 5.97 0.00 -0.45 0.46 121.76 127.54 1ds9 s ALA 54 Ca 0.12 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 1ds9 s ALA 54 Cb -0.10 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.74 1ds9 s ALA 54 CO 0.01 0.02 0.33 -0.51 0.00 0.00 0.00 175.76 175.62 1ds9 s LEU 55 N 0.59 0.75 0.00 0.00 1.43 0.00 0.32 118.68 121.78 1ds9 s LEU 55 Ca -0.07 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1ds9 s LEU 55 Cb -0.10 1.41 0.00 0.00 0.03 0.00 0.00 46.19 47.52 1ds9 s LEU 55 CO -0.00 -0.55 0.00 -0.24 0.23 0.00 0.00 176.35 175.79 1ds9 n SER 56 N 0.88 0.00 -4.21 2.29 2.88 0.30 -2.47 113.62 113.29 1ds9 n SER 56 Ca -0.20 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.93 1ds9 n SER 56 Cb 0.58 -0.32 -0.08 0.00 -0.75 0.00 0.00 64.21 63.64 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 -0.87 4.25 -0.16 2.46 -1.32 0.20 0.65 115.64 120.85 1ds9 s THR 57 Ca 0.00 -1.90 -0.00 0.00 -1.21 0.00 0.00 61.69 58.58 1ds9 s THR 57 Cb 0.00 -3.79 0.04 0.00 -1.51 0.00 0.00 72.50 67.24 1ds9 s THR 57 CO 0.00 -0.80 -0.07 0.54 -2.21 0.00 0.00 174.62 172.09 1ds9 s ASN 58 N 2.53 2.81 -0.13 8.08 2.20 0.23 -1.36 114.94 129.30 1ds9 s ASN 58 Ca 0.07 -0.63 -0.07 0.00 -0.94 0.00 0.00 52.86 51.28 1ds9 s ASN 58 Cb -0.25 -0.96 -0.04 0.00 -2.00 0.00 0.00 41.25 38.00 1ds9 s ASN 58 CO -0.01 -0.16 0.14 0.20 -2.94 0.00 0.00 177.10 174.32 1ds9 s ASN 59 N 1.60 6.34 -0.24 3.54 -0.87 -1.26 -1.52 114.94 122.53 1ds9 s ASN 59 Ca 0.01 0.43 -0.00 0.00 -1.57 0.00 0.00 52.86 51.73 1ds9 s ASN 59 Cb -0.15 -2.06 0.07 0.00 -0.02 0.00 0.00 41.25 39.09 1ds9 s ASN 59 CO -0.08 0.37 -0.00 -0.63 -2.57 0.00 0.00 177.10 174.19 1ds9 s ILE 60 N -0.80 1.19 0.05 0.60 1.01 -0.42 -3.31 121.20 119.53 1ds9 s ILE 60 Ca 0.14 -1.12 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 1ds9 s ILE 60 Cb -0.12 -1.61 -0.32 0.00 0.01 0.00 0.00 42.46 40.42 1ds9 s ILE 60 CO 0.03 -0.24 1.07 -0.33 0.00 0.00 0.00 174.94 175.47 1ds9 h GLU 61 N 8.04 0.44 -4.13 2.79 4.39 -0.66 -3.39 114.58 122.06 1ds9 h GLU 61 Ca -0.16 -0.73 -0.13 0.00 0.34 0.00 0.00 59.36 58.69 1ds9 h GLU 61 Cb 1.07 0.27 -0.14 0.00 -0.10 0.00 0.00 28.75 29.85 1ds9 h GLU 61 CO 0.41 1.34 -0.54 0.15 -1.16 0.00 0.00 179.01 179.21 1ds9 s LYS 62 N -2.68 0.84 -0.30 2.33 -0.14 -0.13 -4.78 119.74 114.88 1ds9 s LYS 62 Ca -0.07 -1.21 0.01 0.00 -1.36 0.00 0.00 55.97 53.34 1ds9 s LYS 62 Cb 0.05 0.28 0.19 0.00 -1.68 0.00 0.00 37.83 36.68 1ds9 s LYS 62 CO 0.92 -0.24 0.61 -1.50 -0.76 0.00 0.00 175.35 174.38 1ds9 s ILE 63 N -3.95 -0.98 -0.69 2.17 -1.16 -1.25 -3.81 121.20 111.53 1ds9 s ILE 63 Ca 0.13 0.00 0.20 0.00 -0.51 0.00 0.00 60.65 60.47 1ds9 s ILE 63 Cb 0.06 -0.99 -0.25 0.00 0.61 0.00 0.00 42.46 41.89 1ds9 s ILE 63 CO -0.05 0.00 0.74 -1.54 -2.81 0.00 0.00 174.94 171.27 1ds9 n SER 64 N 5.42 0.76 -3.10 4.50 3.41 -0.98 -4.64 113.62 118.99 1ds9 n SER 64 Ca 0.01 -0.70 -0.27 0.00 -0.26 0.00 0.00 58.87 57.65 1ds9 n SER 64 Cb 0.52 1.26 -0.04 0.00 -0.26 0.00 0.00 64.21 65.70 1ds9 n SER 64 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ds9 n SER 65 N -1.68 6.41 0.34 4.04 3.41 -1.26 -4.57 113.62 120.32 1ds9 n SER 65 Ca 0.02 -2.41 -0.15 0.00 -0.26 0.00 0.00 58.87 56.06 1ds9 n SER 65 Cb 0.37 -1.29 -0.07 0.00 -0.26 0.00 0.00 64.21 62.96 1ds9 n SER 65 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ds9 h LEU 66 N 7.41 -0.76 -2.25 1.04 6.46 -1.83 -1.30 115.31 124.07 1ds9 h LEU 66 Ca 0.61 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 58.38 1ds9 h LEU 66 Cb 0.33 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1ds9 h LEU 66 CO 1.45 -0.40 0.02 -1.28 -0.62 0.00 0.00 178.44 177.61 1ds9 h SER 67 N -1.18 0.00 -0.27 1.25 0.87 -1.95 0.19 113.55 112.46 1ds9 h SER 67 Ca -0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1ds9 h SER 67 Cb 0.72 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1ds9 h SER 67 CO 0.15 0.00 0.12 1.23 -0.53 0.00 0.00 176.83 177.80 1ds9 h GLY 68 N 0.00 0.43 1.75 5.77 0.00 -1.76 -2.07 103.07 107.19 1ds9 h GLY 68 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1ds9 h GLY 68 CO -0.00 0.21 -0.14 1.03 0.00 0.00 0.00 176.54 177.64 1ds9 n MET 69 N -4.78 0.05 0.00 4.80 2.00 -0.49 -3.88 117.12 114.82 1ds9 n MET 69 Ca -0.02 0.03 0.01 0.00 0.00 0.00 0.00 57.70 57.72 1ds9 n MET 69 Cb 0.11 -1.55 0.08 0.00 0.00 0.00 0.00 33.22 31.86 1ds9 n MET 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1ds9 n GLU 70 N -1.64 0.07 -0.09 0.03 2.13 0.56 -1.64 120.64 120.06 1ds9 n GLU 70 Ca 0.06 0.05 0.04 0.00 0.66 0.00 0.00 57.16 57.98 1ds9 n GLU 70 Cb 0.36 -1.50 0.06 0.00 0.27 0.00 0.00 31.44 30.63 1ds9 n GLU 70 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ds9 n ASN 71 N -1.06 1.73 -4.80 4.31 5.15 -1.25 -4.73 115.26 114.61 1ds9 n ASN 71 Ca 0.02 -2.39 -0.38 0.00 -0.60 0.00 0.00 54.58 51.22 1ds9 n ASN 71 Cb 0.01 -0.22 -0.06 0.00 -0.53 0.00 0.00 39.78 38.99 1ds9 n ASN 71 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1ds9 s LEU 72 N -1.63 4.47 -0.08 1.20 2.96 -0.65 -4.31 118.68 120.65 1ds9 s LEU 72 Ca 0.14 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.19 1ds9 s LEU 72 Cb 0.12 -2.78 -0.06 0.00 0.50 0.00 0.00 46.19 43.97 1ds9 s LEU 72 CO 0.01 0.24 -0.04 0.54 -1.32 0.00 0.00 176.35 175.78 1ds9 n ARG 73 N 2.07 1.08 -3.84 1.98 1.74 -0.74 -3.18 116.66 115.77 1ds9 n ARG 73 Ca -0.11 0.03 -0.36 0.00 -0.77 0.00 0.00 57.85 56.64 1ds9 n ARG 73 Cb 0.51 -1.16 -0.13 0.00 -1.02 0.00 0.00 32.46 30.66 1ds9 n ARG 73 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ds9 s ILE 74 N -2.16 3.53 -0.63 0.55 1.01 -0.68 -1.68 121.20 121.13 1ds9 s ILE 74 Ca -0.09 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 1ds9 s ILE 74 Cb 0.03 -2.81 0.16 0.00 0.01 0.00 0.00 42.46 39.85 1ds9 s ILE 74 CO 0.21 0.13 0.48 -0.22 0.00 0.00 0.00 174.94 175.54 1ds9 s LEU 75 N 1.43 5.62 -0.32 2.97 2.96 0.52 -1.49 118.68 130.37 1ds9 s LEU 75 Ca 0.02 -2.63 -0.28 0.00 -0.22 0.00 0.00 54.13 51.02 1ds9 s LEU 75 Cb -0.17 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.59 1ds9 s LEU 75 CO -0.00 -0.47 1.02 -0.44 -1.32 0.00 0.00 176.35 175.14 1ds9 s SER 76 N 1.36 6.88 0.04 3.68 0.01 0.17 -0.95 113.70 124.88 1ds9 s SER 76 Ca 0.15 0.97 -0.03 0.00 1.31 0.00 0.00 55.95 58.35 1ds9 s SER 76 Cb -0.19 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.50 1ds9 s SER 76 CO -0.04 -0.83 0.03 -0.22 0.41 0.00 0.00 173.24 172.58 1ds9 s LEU 77 N 3.52 2.12 0.00 2.44 0.20 0.20 -0.82 118.68 126.34 1ds9 s LEU 77 Ca 0.43 -0.67 0.00 0.00 0.69 0.00 0.00 54.13 54.58 1ds9 s LEU 77 Cb -0.13 0.36 0.00 0.00 -0.43 0.00 0.00 46.19 45.99 1ds9 s LEU 77 CO 0.15 -0.49 0.00 0.61 -0.29 0.00 0.00 176.35 176.33 1ds9 n GLY 78 N 0.77 0.00 3.29 7.98 0.00 -1.03 -2.99 105.19 113.21 1ds9 n GLY 78 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.26 0.51 0.04 1.61 3.00 0.21 0.72 118.95 123.78 1ds9 s ARG 79 Ca 0.00 1.09 -0.08 0.00 -1.00 0.00 0.00 55.73 55.74 1ds9 s ARG 79 Cb 0.00 0.49 -0.00 0.00 0.00 0.00 0.00 34.95 35.44 1ds9 s ARG 79 CO 0.00 -0.45 0.17 0.54 0.00 0.00 0.00 175.30 175.56 1ds9 s ASN 80 N 2.80 0.08 -0.27 -2.12 2.20 -0.26 -0.60 114.94 116.77 1ds9 s ASN 80 Ca 0.09 -0.42 -0.04 0.00 -0.94 0.00 0.00 52.86 51.54 1ds9 s ASN 80 Cb -0.14 0.27 0.01 0.00 -2.00 0.00 0.00 41.25 39.40 1ds9 s ASN 80 CO -0.19 -0.55 0.01 -0.76 -2.94 0.00 0.00 177.10 172.67 1ds9 s LEU 81 N -2.13 3.49 -0.13 3.54 2.01 -0.57 -1.77 118.68 123.12 1ds9 s LEU 81 Ca -0.05 -0.75 0.01 0.00 0.01 0.00 0.00 54.13 53.36 1ds9 s LEU 81 Cb -0.01 -1.78 0.02 0.00 0.01 0.00 0.00 46.19 44.43 1ds9 s LEU 81 CO -0.04 -0.15 -0.17 -0.63 1.01 0.00 0.00 176.35 176.37 1ds9 s ILE 82 N 1.42 1.67 -0.11 -0.59 1.01 0.11 -1.30 121.20 123.41 1ds9 s ILE 82 Ca 0.02 -0.73 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 1ds9 s ILE 82 Cb -0.17 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1ds9 s ILE 82 CO -0.01 0.48 -0.27 0.29 0.00 0.00 0.00 174.94 175.43 1ds9 n LYS 83 N 4.37 0.40 -1.47 2.79 4.76 -1.26 -3.73 118.16 124.02 1ds9 n LYS 83 Ca -0.19 0.16 -0.10 0.00 -2.87 0.00 0.00 58.31 55.31 1ds9 n LYS 83 Cb 0.51 -1.21 0.05 0.00 -1.84 0.00 0.00 35.03 32.54 1ds9 n LYS 83 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ds9 n LYS 84 N -4.22 0.32 -3.91 1.97 4.01 -1.26 -4.21 118.16 110.85 1ds9 n LYS 84 Ca -0.11 -1.18 -0.28 0.00 -0.51 0.00 0.00 58.31 56.22 1ds9 n LYS 84 Cb 0.40 -0.28 -0.17 0.00 -0.51 0.00 0.00 35.03 34.48 1ds9 n LYS 84 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 1ds9 s ILE 85 N -1.18 1.15 -0.13 -0.18 -1.16 -1.26 -4.88 121.20 113.55 1ds9 s ILE 85 Ca 0.29 -0.50 0.05 0.00 -0.51 0.00 0.00 60.65 59.98 1ds9 s ILE 85 Cb -0.02 -1.22 0.15 0.00 0.61 0.00 0.00 42.46 41.99 1ds9 s ILE 85 CO 0.19 0.27 1.19 1.21 -2.81 0.00 0.00 174.94 174.99 1ds9 n GLU 86 N 4.89 0.51 0.00 3.50 2.13 -1.26 -4.95 120.64 125.45 1ds9 n GLU 86 Ca -0.13 -1.06 0.00 0.00 0.66 0.00 0.00 57.16 56.63 1ds9 n GLU 86 Cb 0.49 0.47 0.00 0.00 0.27 0.00 0.00 31.44 32.67 1ds9 n GLU 86 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ds9 n ASN 87 N -0.58 0.00 0.32 4.31 5.15 -1.26 -4.35 115.26 118.84 1ds9 n ASN 87 Ca -0.24 0.00 0.19 0.00 -0.60 0.00 0.00 54.58 53.93 1ds9 n ASN 87 Cb 0.76 0.12 0.97 0.00 -0.53 0.00 0.00 39.78 41.10 1ds9 n ASN 87 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ds9 h LEU 88 N 0.00 0.00 0.25 1.20 3.38 -1.92 -1.47 115.31 116.75 1ds9 h LEU 88 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ds9 h LEU 88 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ds9 h LEU 88 CO 0.00 0.00 -0.12 -0.78 0.09 0.00 0.00 178.44 177.63 1ds9 h ASP 89 N 0.00 -0.29 -0.92 -0.43 1.82 -1.92 0.60 116.42 115.29 1ds9 h ASP 89 Ca 0.02 0.01 0.02 0.00 -0.39 0.00 0.00 57.03 56.69 1ds9 h ASP 89 Cb 0.40 0.07 -0.05 0.00 0.68 0.00 0.00 39.33 40.43 1ds9 h ASP 89 CO -0.00 -0.16 0.60 0.00 -1.61 0.00 0.00 179.24 178.07 1ds9 h ALA 90 N -1.75 1.19 -0.70 -0.78 0.00 -1.81 0.21 119.26 115.63 1ds9 h ALA 90 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ds9 h ALA 90 Cb 0.26 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1ds9 h ALA 90 CO 0.06 0.50 0.35 0.28 0.00 0.00 0.00 179.25 180.44 1ds9 h VAL 91 N 1.19 1.23 0.00 0.00 2.07 -1.30 0.80 116.25 120.23 1ds9 h VAL 91 Ca 0.35 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1ds9 h VAL 91 Cb -0.05 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1ds9 h VAL 91 CO -0.10 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1ds9 h ALA 92 N 1.17 1.00 0.00 1.67 0.00 0.12 0.45 119.26 123.67 1ds9 h ALA 92 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1ds9 h ALA 92 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ds9 h ALA 92 CO -0.03 0.00 -1.25 -0.25 0.00 0.00 0.00 179.25 177.71 1ds9 n ASP 93 N -2.84 0.77 0.00 0.00 9.92 0.66 -4.45 116.55 120.60 1ds9 n ASP 93 Ca 0.02 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1ds9 n ASP 93 Cb 0.37 0.49 0.00 0.00 -0.64 0.00 0.00 41.12 41.34 1ds9 n ASP 93 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1ds9 n THR 94 N -2.72 0.00 -0.34 -3.53 5.66 0.15 -5.07 114.28 108.44 1ds9 n THR 94 Ca -0.04 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.87 1ds9 n THR 94 Cb 0.66 -0.58 0.08 0.00 -1.55 0.00 0.00 70.33 68.94 1ds9 n THR 94 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1ds9 n LEU 95 N -1.54 0.00 0.00 1.09 7.94 0.16 -4.78 117.00 119.87 1ds9 n LEU 95 Ca 0.00 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.60 1ds9 n LEU 95 Cb 0.31 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.97 1ds9 n LEU 95 CO 0.00 -1.64 0.00 1.21 -1.11 0.00 0.00 177.39 175.85 1ds9 n GLU 96 N -2.83 0.00 -3.58 1.96 2.13 -1.13 -4.83 120.64 112.36 1ds9 n GLU 96 Ca 0.04 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.45 1ds9 n GLU 96 Cb 0.17 -0.01 -0.11 0.00 0.27 0.00 0.00 31.44 31.76 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 -1.55 2.83 -0.43 5.31 2.02 -0.68 -1.74 118.70 124.47 1ds9 s GLU 97 Ca 0.00 -1.08 0.02 0.00 0.02 0.00 0.00 54.97 53.93 1ds9 s GLU 97 Cb 0.00 -3.77 0.12 0.00 0.10 0.00 0.00 34.13 30.57 1ds9 s GLU 97 CO 0.00 -0.72 0.17 -1.17 0.02 0.00 0.00 175.26 173.57 1ds9 s LEU 98 N 1.57 4.76 -0.41 1.80 0.20 -0.47 -0.35 118.68 125.78 1ds9 s LEU 98 Ca 0.02 -2.46 -0.19 0.00 0.69 0.00 0.00 54.13 52.19 1ds9 s LEU 98 Cb -0.19 -1.69 0.02 0.00 -0.43 0.00 0.00 46.19 43.90 1ds9 s LEU 98 CO 0.07 -0.36 0.57 0.26 -0.29 0.00 0.00 176.35 176.60 1ds9 s TRP 99 N 0.50 3.12 -0.35 5.38 0.51 -0.13 -1.15 118.94 126.81 1ds9 s TRP 99 Ca 0.13 -0.06 -0.00 0.00 -2.12 0.00 0.00 56.10 54.04 1ds9 s TRP 99 Cb -0.22 -3.15 0.13 0.00 -0.81 0.00 0.00 33.47 29.42 1ds9 s TRP 99 CO -0.05 -0.75 0.19 0.96 -0.51 0.00 0.00 176.95 176.79 1ds9 s ILE 100 N 2.57 0.50 0.08 2.03 -4.36 -0.07 0.58 121.20 122.53 1ds9 s ILE 100 Ca 0.19 -1.68 -0.35 0.00 -0.26 0.00 0.00 60.65 58.55 1ds9 s ILE 100 Cb -0.15 -1.37 -0.18 0.00 1.25 0.00 0.00 42.46 42.00 1ds9 s ILE 100 CO 0.16 -0.87 1.58 0.28 0.24 0.00 0.00 174.94 176.33 1ds9 h SER 101 N 7.36 -1.15 -3.33 4.36 0.02 -1.62 -3.31 113.55 115.88 1ds9 h SER 101 Ca -0.03 0.07 -0.67 0.00 -0.84 0.00 0.00 61.79 60.32 1ds9 h SER 101 Cb 0.97 0.34 -0.31 0.00 0.14 0.00 0.00 62.40 63.54 1ds9 h SER 101 CO 0.38 -0.68 -0.77 -0.47 -1.14 0.00 0.00 176.83 174.14 1ds9 s TYR 102 N -5.96 2.94 -0.10 3.45 6.14 0.22 0.96 117.35 125.00 1ds9 s TYR 102 Ca -0.18 -1.36 -0.03 0.00 0.64 0.00 0.00 57.07 56.13 1ds9 s TYR 102 Cb 0.04 -2.03 0.04 0.00 0.42 0.00 0.00 41.96 40.43 1ds9 s TYR 102 CO 0.61 -0.69 0.08 0.54 0.64 0.00 0.00 175.55 176.74 1ds9 s ASN 103 N 1.37 1.55 -0.24 4.32 2.20 -0.35 -1.10 114.94 122.70 1ds9 s ASN 103 Ca 0.04 -0.16 -0.18 0.00 -0.94 0.00 0.00 52.86 51.61 1ds9 s ASN 103 Cb -0.15 -0.13 -0.03 0.00 -2.00 0.00 0.00 41.25 38.95 1ds9 s ASN 103 CO -0.07 -0.29 0.54 -1.10 -2.94 0.00 0.00 177.10 173.24 1ds9 s GLN 104 N 2.17 4.12 0.00 3.55 -0.21 -0.73 -0.08 119.66 128.49 1ds9 s GLN 104 Ca 0.04 0.39 -0.04 0.00 0.02 0.00 0.00 55.36 55.77 1ds9 s GLN 104 Cb -0.14 -3.62 -0.00 0.00 1.00 0.00 0.00 33.01 30.25 1ds9 s GLN 104 CO -0.06 -0.29 0.08 0.42 -2.12 0.00 0.00 175.29 173.33 1ds9 s ILE 105 N 2.09 0.08 0.00 1.08 1.01 -0.65 -0.72 121.20 124.09 1ds9 s ILE 105 Ca 0.23 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1ds9 s ILE 105 Cb -0.16 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 41.98 1ds9 s ILE 105 CO 0.09 -0.35 0.61 0.00 0.00 0.00 0.00 174.94 175.28 1ds9 n ALA 106 N 1.76 1.22 -2.66 9.38 0.00 -1.26 -4.17 120.51 124.78 1ds9 n ALA 106 Ca -0.21 -0.61 -0.39 0.00 0.00 0.00 0.00 53.44 52.23 1ds9 n ALA 106 Cb 0.56 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.90 1ds9 n ALA 106 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ds9 s SER 107 N -0.22 5.86 0.22 0.00 0.01 -1.26 -4.97 113.70 113.35 1ds9 s SER 107 Ca 0.00 -0.28 -0.08 0.00 1.31 0.00 0.00 55.95 56.90 1ds9 s SER 107 Cb 0.00 -2.09 0.25 0.00 0.21 0.00 0.00 66.02 64.39 1ds9 s SER 107 CO 0.00 -0.14 1.84 0.25 0.41 0.00 0.00 173.24 175.60 1ds9 h LEU 108 N 8.40 0.72 -0.47 2.44 6.46 -1.97 -1.32 115.31 129.57 1ds9 h LEU 108 Ca -0.33 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.41 1ds9 h LEU 108 Cb 1.17 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 1ds9 h LEU 108 CO 0.60 0.48 0.18 -1.28 -0.62 0.00 0.00 178.44 177.79 1ds9 h SER 109 N 0.86 0.65 -0.50 1.25 0.87 -1.96 -1.09 113.55 113.62 1ds9 h SER 109 Ca 0.32 -0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1ds9 h SER 109 Cb 0.11 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 1ds9 h SER 109 CO -0.15 0.65 0.27 1.23 -0.53 0.00 0.00 176.83 178.30 1ds9 h GLY 110 N 0.61 0.71 0.81 5.77 0.00 -1.77 0.02 103.07 109.22 1ds9 h GLY 110 Ca 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1ds9 h GLY 110 CO -0.01 0.14 -0.39 -2.22 0.00 0.00 0.00 176.54 174.06 1ds9 h ILE 111 N 0.53 0.00 -1.00 2.60 2.04 -1.02 -0.90 117.51 119.76 1ds9 h ILE 111 Ca 0.22 -0.16 0.28 0.00 1.00 0.00 0.00 64.86 66.19 1ds9 h ILE 111 Cb 0.10 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.12 1ds9 h ILE 111 CO -0.13 0.00 0.70 -0.08 0.00 0.00 0.00 178.15 178.64 1ds9 h GLU 112 N -1.24 0.11 0.05 2.37 4.81 -1.08 0.36 114.58 119.96 1ds9 h GLU 112 Ca -0.11 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1ds9 h GLU 112 Cb 0.83 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1ds9 h GLU 112 CO 0.18 0.07 -0.02 0.87 -0.73 0.00 0.00 179.01 179.38 1ds9 h LYS 113 N 0.11 -0.07 -0.30 1.92 1.79 -0.75 0.11 116.57 119.38 1ds9 h LYS 113 Ca 0.50 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 59.06 1ds9 h LYS 113 Cb 1.77 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.42 1ds9 h LYS 113 CO -0.07 -0.04 0.24 1.37 -1.08 0.00 0.00 179.45 179.86 1ds9 h LEU 114 N -0.47 0.00 0.02 2.94 8.10 -0.93 0.21 115.31 125.19 1ds9 h LEU 114 Ca -0.01 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.95 1ds9 h LEU 114 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.28 1ds9 h LEU 114 CO 0.01 0.00 -0.14 0.58 -4.11 0.00 0.00 178.44 174.78 1ds9 h VAL 115 N 0.00 1.74 0.00 0.15 2.07 -0.39 -3.23 116.25 116.59 1ds9 h VAL 115 Ca 0.14 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1ds9 h VAL 115 Cb 0.61 3.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 1ds9 h VAL 115 CO -0.00 0.62 0.00 -1.13 0.02 0.00 0.00 177.57 177.08 1ds9 h ASN 116 N -0.87 0.00 0.00 0.57 -1.24 -0.16 -3.35 115.58 110.53 1ds9 h ASN 116 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1ds9 h ASN 116 Cb 1.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.15 1ds9 h ASN 116 CO 0.03 0.00 0.00 -0.11 -1.29 0.00 0.00 177.43 176.06 1ds9 n LEU 117 N -2.59 0.00 0.00 0.34 7.94 -0.01 -4.83 117.00 117.85 1ds9 n LEU 117 Ca -0.01 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 1ds9 n LEU 117 Cb 0.09 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.04 1ds9 n LEU 117 CO 0.15 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.29 1ds9 n ARG 118 N -0.27 0.00 -3.86 1.96 0.00 -1.26 -4.96 116.66 108.29 1ds9 n ARG 118 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 1ds9 n ARG 118 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 32.46 32.29 1ds9 n ARG 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ds9 s VAL 119 N -0.86 0.96 0.04 5.15 0.11 -0.71 -1.42 120.40 123.67 1ds9 s VAL 119 Ca 0.00 -0.56 0.08 0.00 -2.93 0.00 0.00 61.98 58.57 1ds9 s VAL 119 Cb 0.00 -1.19 -0.03 0.00 -1.53 0.00 0.00 36.38 33.63 1ds9 s VAL 119 CO 0.00 0.08 -0.23 -1.48 -3.33 0.00 0.00 175.10 170.15 1ds9 s LEU 120 N 1.69 2.17 -0.25 2.54 2.34 -0.59 -1.37 118.68 125.21 1ds9 s LEU 120 Ca 0.01 -0.55 -0.01 0.00 0.06 0.00 0.00 54.13 53.64 1ds9 s LEU 120 Cb -0.15 -1.08 0.03 0.00 -0.56 0.00 0.00 46.19 44.43 1ds9 s LEU 120 CO -0.07 0.19 -0.08 -0.31 -1.06 0.00 0.00 176.35 175.02 1ds9 s TYR 121 N -0.80 3.08 -0.47 3.48 2.02 -0.30 -0.78 117.35 123.58 1ds9 s TYR 121 Ca 0.09 -1.69 0.03 0.00 -0.37 0.00 0.00 57.07 55.13 1ds9 s TYR 121 Cb -0.09 -2.03 0.14 0.00 -0.40 0.00 0.00 41.96 39.57 1ds9 s TYR 121 CO 0.02 -0.76 0.26 -1.64 -1.57 0.00 0.00 175.55 171.85 1ds9 s MET 122 N 1.29 1.48 0.00 -0.62 -1.94 0.17 -0.89 119.30 118.78 1ds9 s MET 122 Ca -0.01 -2.20 0.28 0.00 -1.71 0.00 0.00 55.69 52.04 1ds9 s MET 122 Cb -0.17 -2.56 0.98 0.00 2.01 0.00 0.00 34.83 35.09 1ds9 s MET 122 CO -0.05 -1.16 1.70 -1.13 -0.01 0.00 0.00 175.02 174.37 1ds9 n SER 123 N 3.35 1.15 -2.76 3.03 3.41 -0.99 -1.50 113.62 119.32 1ds9 n SER 123 Ca 0.09 -1.15 -0.09 0.00 -0.26 0.00 0.00 58.87 57.46 1ds9 n SER 123 Cb 0.34 0.05 0.07 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.31 -2.36 -4.88 4.04 3.02 0.27 -2.80 115.26 112.24 1ds9 n ASN 124 Ca 0.16 -3.57 -0.33 0.00 -0.03 0.00 0.00 54.58 50.82 1ds9 n ASN 124 Cb 0.34 1.80 -0.05 0.00 -0.61 0.00 0.00 39.78 41.25 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 -1.42 6.61 -0.51 6.41 4.22 0.20 -1.21 114.94 129.24 1ds9 s ASN 125 Ca 0.25 0.82 -0.09 0.00 -2.14 0.00 0.00 52.86 51.70 1ds9 s ASN 125 Cb 0.27 -2.18 0.13 0.00 1.28 0.00 0.00 41.25 40.75 1ds9 s ASN 125 CO -0.11 0.03 0.39 -0.75 -2.04 0.00 0.00 177.10 174.62 1ds9 s LYS 126 N -2.49 2.57 -0.09 3.55 2.47 0.88 -3.97 119.74 122.66 1ds9 s LYS 126 Ca 0.42 -1.88 -0.04 0.00 -1.56 0.00 0.00 55.97 52.90 1ds9 s LYS 126 Cb -0.12 -3.95 0.05 0.00 -1.46 0.00 0.00 37.83 32.35 1ds9 s LYS 126 CO 0.21 -1.20 0.19 0.42 0.16 0.00 0.00 175.35 175.13 1ds9 s ILE 127 N 1.15 -0.19 -0.13 5.43 1.01 -1.26 -1.64 121.20 125.58 1ds9 s ILE 127 Ca 0.08 0.26 0.15 0.00 0.00 0.00 0.00 60.65 61.13 1ds9 s ILE 127 Cb -0.25 -0.32 0.35 0.00 0.01 0.00 0.00 42.46 42.25 1ds9 s ILE 127 CO -0.02 0.11 1.17 0.35 0.00 0.00 0.00 174.94 176.55 1ds9 n THR 128 N 4.82 1.44 -1.56 2.92 -2.24 -1.26 -1.01 114.28 117.40 1ds9 n THR 128 Ca -0.15 -2.22 -0.34 0.00 -2.27 0.00 0.00 64.05 59.08 1ds9 n THR 128 Cb 0.51 0.10 0.06 0.00 -2.10 0.00 0.00 70.33 68.90 1ds9 n THR 128 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ds9 n ASN 129 N -0.73 7.17 -0.23 3.42 5.15 -1.26 -4.77 115.26 124.02 1ds9 n ASN 129 Ca 0.14 -3.79 -0.05 0.00 -0.60 0.00 0.00 54.58 50.27 1ds9 n ASN 129 Cb 0.78 -0.88 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1ds9 n ASN 129 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 1ds9 h TRP 130 N 2.19 -1.01 -1.83 1.20 7.01 -1.93 0.49 115.95 122.06 1ds9 h TRP 130 Ca 0.56 0.08 0.54 0.00 2.11 0.00 0.00 58.89 62.18 1ds9 h TRP 130 Cb 0.81 0.54 -0.08 0.00 -2.10 0.00 0.00 29.16 28.32 1ds9 h TRP 130 CO 1.29 -0.39 1.31 0.41 -2.79 0.00 0.00 178.44 178.27 1ds9 n GLY 131 N -1.43 -0.93 1.45 2.65 0.00 -1.26 -1.46 105.19 104.20 1ds9 n GLY 131 Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 -3.94 0.00 -0.30 1.61 1.02 -0.43 -4.80 120.64 113.79 1ds9 n GLU 132 Ca 0.42 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.77 1ds9 n GLU 132 Cb 1.89 -0.29 0.49 0.00 -0.02 0.00 0.00 31.44 33.51 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 0.59 -0.55 -3.67 2.04 -0.14 0.26 117.51 116.04 1ds9 h ILE 133 Ca 0.00 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.82 1ds9 h ILE 133 Cb 0.08 0.12 -0.11 0.00 -0.74 0.00 0.00 36.82 36.17 1ds9 h ILE 133 CO 0.00 0.08 -0.20 -0.78 0.00 0.00 0.00 178.15 177.25 1ds9 h ASP 134 N 0.44 -0.69 0.01 1.72 3.58 -1.26 -0.81 116.42 119.40 1ds9 h ASP 134 Ca 0.55 0.18 -0.41 0.00 0.42 0.00 0.00 57.03 57.78 1ds9 h ASP 134 Cb 1.34 0.41 -0.06 0.00 1.72 0.00 0.00 39.33 42.74 1ds9 h ASP 134 CO -0.26 -0.23 -2.33 0.29 -2.88 0.00 0.00 179.24 173.83 1ds9 n LYS 135 N -5.41 0.62 0.22 0.28 5.02 -0.80 -4.31 118.16 113.79 1ds9 n LYS 135 Ca 0.05 0.26 0.17 0.00 -2.02 0.00 0.00 58.31 56.77 1ds9 n LYS 135 Cb 0.32 -1.55 0.72 0.00 -0.02 0.00 0.00 35.03 34.50 1ds9 n LYS 135 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1ds9 h LEU 136 N -0.57 0.00 -3.91 -0.35 -0.00 -0.53 -1.87 115.31 108.08 1ds9 h LEU 136 Ca -0.60 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.09 1ds9 h LEU 136 Cb 1.71 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 42.30 1ds9 h LEU 136 CO -0.24 0.00 -0.25 0.00 -0.00 0.00 0.00 178.44 177.94 1ds9 n ALA 137 N -2.05 6.05 -3.95 1.53 0.00 -0.31 -4.68 120.51 117.09 1ds9 n ALA 137 Ca 0.03 -1.70 -0.32 0.00 0.00 0.00 0.00 53.44 51.45 1ds9 n ALA 137 Cb 0.56 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 2.18 -1.23 0.33 0.00 0.00 -1.01 -4.66 120.51 116.12 1ds9 n ALA 138 Ca 0.38 0.11 0.14 0.00 0.00 0.00 0.00 53.44 54.06 1ds9 n ALA 138 Cb 0.82 -3.89 0.46 0.00 0.00 0.00 0.00 19.45 16.84 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 -1.70 0.00 -3.90 0.00 5.85 -1.56 -0.73 115.31 113.27 1ds9 h LEU 139 Ca -0.56 0.00 -0.41 0.00 0.84 0.00 0.00 57.88 57.74 1ds9 h LEU 139 Cb 1.37 0.00 -0.25 0.00 0.37 0.00 0.00 40.66 42.15 1ds9 h LEU 139 CO 0.70 0.00 0.52 0.47 -0.34 0.00 0.00 178.44 179.78 1ds9 n ASP 140 N -2.82 4.09 0.00 1.25 9.92 -1.26 -4.56 116.55 123.17 1ds9 n ASP 140 Ca 0.03 -3.49 0.00 0.00 -0.53 0.00 0.00 54.79 50.80 1ds9 n ASP 140 Cb 0.38 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 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 -0.82 0.00 0.00 -1.24 4.81 -1.17 -4.86 118.16 114.88 1ds9 n LYS 141 Ca 0.53 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1ds9 n LYS 141 Cb 1.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.62 1ds9 n LYS 141 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ds9 n LEU 142 N -1.74 0.00 0.00 3.14 -0.00 -0.29 -1.58 117.00 116.54 1ds9 n LEU 142 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ds9 n LEU 142 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ds9 n LEU 142 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.77 1ds9 n GLU 143 N 0.00 0.00 -4.79 1.96 1.02 -1.26 -0.93 120.64 116.64 1ds9 n GLU 143 Ca 0.00 0.05 -0.27 0.00 -0.02 0.00 0.00 57.16 56.93 1ds9 n GLU 143 Cb 0.00 -0.34 -0.17 0.00 -0.02 0.00 0.00 31.44 30.91 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 -1.59 2.17 -0.25 1.62 1.11 -0.51 -1.76 116.67 117.46 1ds9 s ASP 144 Ca 0.00 -0.37 -0.15 0.00 0.18 0.00 0.00 52.55 52.20 1ds9 s ASP 144 Cb 0.00 -0.94 0.07 0.00 1.07 0.00 0.00 42.92 43.12 1ds9 s ASP 144 CO 0.00 0.08 0.62 -1.48 1.18 0.00 0.00 175.17 175.57 1ds9 s LEU 145 N 0.49 -0.69 -0.21 1.23 2.34 -0.00 -1.54 118.68 120.29 1ds9 s LEU 145 Ca -0.14 1.35 -0.08 0.00 0.06 0.00 0.00 54.13 55.31 1ds9 s LEU 145 Cb -0.16 2.13 -0.04 0.00 -0.56 0.00 0.00 46.19 47.56 1ds9 s LEU 145 CO 0.05 -0.23 0.09 -0.22 -1.06 0.00 0.00 176.35 174.98 1ds9 s LEU 146 N 1.40 3.79 -0.29 1.48 2.96 0.04 -0.80 118.68 127.26 1ds9 s LEU 146 Ca -0.09 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1ds9 s LEU 146 Cb -0.06 -1.99 0.09 0.00 0.50 0.00 0.00 46.19 44.73 1ds9 s LEU 146 CO -0.15 0.09 0.07 -0.76 -1.32 0.00 0.00 176.35 174.28 1ds9 s LEU 147 N 0.86 2.49 -0.37 -0.68 1.02 -1.24 0.42 118.68 121.19 1ds9 s LEU 147 Ca 0.05 -1.56 0.12 0.00 0.02 0.00 0.00 54.13 52.75 1ds9 s LEU 147 Cb -0.13 -0.97 0.35 0.00 0.02 0.00 0.00 46.19 45.45 1ds9 s LEU 147 CO 0.03 -0.38 0.73 0.00 0.02 0.00 0.00 176.35 176.75 1ds9 n ALA 148 N 4.77 1.97 0.00 4.21 0.00 -0.56 -4.95 120.51 125.95 1ds9 n ALA 148 Ca -0.03 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 50.03 1ds9 n ALA 148 Cb 0.43 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 0.30 -0.00 0.00 0.00 0.00 -1.12 -4.31 105.19 100.05 1ds9 n GLY 149 Ca 0.25 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.13 1.61 0.23 -1.25 0.59 115.26 116.30 1ds9 n ASN 150 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.96 1ds9 n ASN 150 Cb 0.00 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.75 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 0.91 0.03 -0.53 0.13 -1.76 -1.47 132.00 129.30 1ds9 h PRO 151 Ca 0.00 -0.36 -0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1ds9 h PRO 151 Cb 0.00 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.09 1ds9 h PRO 151 CO 0.00 1.02 -0.02 1.25 -0.23 0.00 0.00 178.00 180.01 1ds9 h LEU 152 N 0.79 -0.06 -0.12 1.56 5.85 -1.42 0.68 115.31 122.59 1ds9 h LEU 152 Ca 0.11 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1ds9 h LEU 152 Cb 0.74 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1ds9 h LEU 152 CO 0.06 -0.03 -0.02 0.22 -0.34 0.00 0.00 178.44 178.33 1ds9 h TYR 153 N -0.05 -0.04 -0.10 1.25 5.03 -1.85 -0.84 116.97 120.37 1ds9 h TYR 153 Ca -0.00 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.35 1ds9 h TYR 153 Cb 0.04 0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.35 1ds9 h TYR 153 CO -0.05 -0.04 0.08 -0.91 -1.32 0.00 0.00 178.16 175.92 1ds9 h ASN 154 N 0.02 0.00 -0.26 -2.11 -0.26 -1.26 -0.26 115.58 111.45 1ds9 h ASN 154 Ca 0.06 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.70 1ds9 h ASN 154 Cb 0.08 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1ds9 h ASN 154 CO -0.11 0.00 -0.23 0.44 -1.06 0.00 0.00 177.43 176.46 1ds9 h ASP 155 N 0.00 0.65 0.48 5.81 5.19 0.18 -3.19 116.42 125.53 1ds9 h ASP 155 Ca 0.05 -0.46 -0.02 0.00 -0.62 0.00 0.00 57.03 55.98 1ds9 h ASP 155 Cb 0.21 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1ds9 h ASP 155 CO -0.00 0.98 -0.32 0.22 -3.12 0.00 0.00 179.24 177.00 1ds9 h TYR 156 N 0.33 -0.85 0.00 4.55 3.20 -0.08 -3.45 116.97 120.67 1ds9 h TYR 156 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1ds9 h TYR 156 Cb 0.79 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1ds9 h TYR 156 CO 0.07 -0.48 0.00 1.63 -1.64 0.00 0.00 178.16 177.74 1ds9 n LYS 157 N -5.45 0.00 0.00 1.82 4.76 -0.66 -4.81 118.16 113.82 1ds9 n LYS 157 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1ds9 n LYS 157 Cb 0.35 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.54 1ds9 n LYS 157 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ds9 n GLU 158 N 0.00 0.00 -1.96 1.97 1.02 -1.22 -1.72 120.64 118.73 1ds9 n GLU 158 Ca 0.00 0.06 -0.26 0.00 -0.02 0.00 0.00 57.16 56.94 1ds9 n GLU 158 Cb 0.00 -0.12 0.03 0.00 -0.02 0.00 0.00 31.44 31.33 1ds9 n GLU 158 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ds9 n ASN 159 N -0.59 5.38 0.00 1.62 5.15 -1.26 -4.41 115.26 121.15 1ds9 n ASN 159 Ca 0.00 -3.75 0.00 0.00 -0.60 0.00 0.00 54.58 50.23 1ds9 n ASN 159 Cb 0.00 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.79 1ds9 n ASN 159 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1ds9 n ASN 160 N -0.71 2.46 -0.01 1.20 2.85 -0.70 -4.82 115.26 115.53 1ds9 n ASN 160 Ca 0.47 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 55.04 1ds9 n ASN 160 Cb 0.88 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.75 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 -2.14 3.47 -0.23 5.20 0.00 -0.99 -4.35 120.51 121.48 1ds9 n ALA 161 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 53.44 52.89 1ds9 n ALA 161 Cb 0.31 -0.74 0.09 0.00 0.00 0.00 0.00 19.45 19.12 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 0.98 -0.39 0.00 2.02 -1.77 0.26 112.91 114.02 1ds9 h THR 162 Ca 0.00 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1ds9 h THR 162 Cb 0.80 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1ds9 h THR 162 CO 0.00 0.12 0.12 0.28 0.37 0.00 0.00 175.52 176.41 1ds9 h SER 163 N 0.68 0.51 0.06 4.18 0.02 -1.88 0.39 113.55 117.52 1ds9 h SER 163 Ca 0.29 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1ds9 h SER 163 Cb 0.16 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1ds9 h SER 163 CO -0.17 0.49 -0.25 -0.08 -1.14 0.00 0.00 176.83 175.68 1ds9 h GLU 164 N 0.55 0.32 0.16 3.45 4.57 -0.92 -0.36 114.58 122.35 1ds9 h GLU 164 Ca 0.13 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1ds9 h GLU 164 Cb 0.17 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1ds9 h GLU 164 CO -0.01 0.56 -0.08 1.88 -1.18 0.00 0.00 179.01 180.18 1ds9 h TYR 165 N 0.29 -0.20 -0.62 0.92 -1.99 0.15 0.43 116.97 115.95 1ds9 h TYR 165 Ca 0.05 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 1ds9 h TYR 165 Cb 0.60 0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.37 1ds9 h TYR 165 CO 0.01 0.05 0.38 -0.09 -0.00 0.00 0.00 178.16 178.51 1ds9 h ARG 166 N -0.44 0.84 -0.63 4.88 1.12 -1.12 0.42 114.38 119.45 1ds9 h ARG 166 Ca -0.02 -0.07 -0.03 0.00 -1.11 0.00 0.00 59.98 58.75 1ds9 h ARG 166 Cb 0.34 -0.18 -0.03 0.00 -0.01 0.00 0.00 29.97 30.10 1ds9 h ARG 166 CO 0.04 0.60 0.29 0.82 -3.11 0.00 0.00 179.97 178.61 1ds9 h ILE 167 N 0.84 1.22 -0.06 1.20 2.04 -0.93 -1.20 117.51 120.62 1ds9 h ILE 167 Ca 0.22 -0.63 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 1ds9 h ILE 167 Cb -0.03 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1ds9 h ILE 167 CO -0.04 0.26 -0.32 -0.08 0.00 0.00 0.00 178.15 177.97 1ds9 h GLU 168 N 0.87 0.12 0.34 2.37 4.22 0.52 0.19 114.58 123.19 1ds9 h GLU 168 Ca 0.21 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.60 1ds9 h GLU 168 Cb 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1ds9 h GLU 168 CO -0.03 0.43 -0.16 0.28 -2.18 0.00 0.00 179.01 177.35 1ds9 h VAL 169 N 0.10 0.00 -0.21 0.32 2.07 0.97 -0.46 116.25 119.04 1ds9 h VAL 169 Ca 0.01 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1ds9 h VAL 169 Cb 0.62 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1ds9 h VAL 169 CO 0.04 0.00 0.14 1.62 0.02 0.00 0.00 177.57 179.40 1ds9 h VAL 170 N -0.50 1.01 0.03 2.57 3.04 -1.33 0.46 116.25 121.54 1ds9 h VAL 170 Ca -0.05 -0.07 -0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1ds9 h VAL 170 Cb 0.35 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 1ds9 h VAL 170 CO 0.08 0.04 -0.02 0.50 -1.01 0.00 0.00 177.57 177.16 1ds9 h LYS 171 N 0.21 -0.04 0.00 4.17 3.64 -0.82 -3.41 116.57 120.32 1ds9 h LYS 171 Ca 0.08 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.30 1ds9 h LYS 171 Cb 0.07 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1ds9 h LYS 171 CO -0.02 -0.03 -2.06 0.54 -2.27 0.00 0.00 179.45 175.61 1ds9 n ARG 172 N -2.15 0.82 -2.97 1.90 1.74 -0.20 -4.93 116.66 110.87 1ds9 n ARG 172 Ca -0.01 -0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.57 1ds9 n ARG 172 Cb 0.02 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 29.95 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 -4.84 4.18 -0.14 0.55 1.43 0.16 -4.96 118.68 115.05 1ds9 s LEU 173 Ca -0.08 1.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.99 1ds9 s LEU 173 Cb 0.09 -3.11 -0.06 0.00 0.03 0.00 0.00 46.19 43.14 1ds9 s LEU 173 CO 0.77 -0.34 -0.03 1.55 0.23 0.00 0.00 176.35 178.54 1ds9 h PRO 174 N 7.34 0.00 0.00 1.29 0.13 -1.89 -3.37 132.00 135.49 1ds9 h PRO 174 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ds9 h PRO 174 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1ds9 h PRO 174 CO 0.81 0.19 0.00 0.09 -0.23 0.00 0.00 178.00 178.86 1ds9 n ASN 175 N -4.63 0.00 0.00 1.44 4.13 -1.26 -4.60 115.26 110.34 1ds9 n ASN 175 Ca -0.09 0.49 0.00 0.00 1.68 0.00 0.00 54.58 56.66 1ds9 n ASN 175 Cb 0.27 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 1ds9 n ASN 175 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ds9 n LEU 176 N -0.55 0.00 -0.01 3.41 4.77 -0.11 -4.74 117.00 119.77 1ds9 n LEU 176 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1ds9 n LEU 176 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1ds9 n LEU 176 CO 0.00 0.00 -0.50 1.17 -1.33 0.00 0.00 177.39 176.73 1ds9 n LYS 177 N 0.00 0.63 -3.50 3.23 3.00 -0.97 -4.65 118.16 115.91 1ds9 n LYS 177 Ca 0.00 0.26 -0.28 0.00 -0.00 0.00 0.00 58.31 58.30 1ds9 n LYS 177 Cb 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 35.03 33.14 1ds9 n LYS 177 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1ds9 s LYS 178 N -2.67 1.13 -1.13 1.64 -0.14 -0.72 -5.02 119.74 112.82 1ds9 s LYS 178 Ca -0.05 -2.21 -0.09 0.00 -1.36 0.00 0.00 55.97 52.26 1ds9 s LYS 178 Cb 0.08 -1.76 0.27 0.00 -1.68 0.00 0.00 37.83 34.74 1ds9 s LYS 178 CO 0.82 -1.34 1.16 -0.11 -0.76 0.00 0.00 175.35 175.12 1ds9 n LEU 179 N 2.88 5.52 -2.99 3.17 7.94 -1.26 -0.82 117.00 131.44 1ds9 n LEU 179 Ca 0.25 -4.99 -0.03 0.00 -1.11 0.00 0.00 56.01 50.14 1ds9 n LEU 179 Cb 0.44 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.90 1ds9 n LEU 179 CO 0.13 1.30 0.25 -0.67 -1.11 0.00 0.00 177.39 177.28 1ds9 n ASP 180 N 2.94 -7.86 -0.20 1.96 2.03 0.02 -4.46 116.55 110.98 1ds9 n ASP 180 Ca 0.25 0.13 0.02 0.00 0.52 0.00 0.00 54.79 55.72 1ds9 n ASP 180 Cb 0.39 -5.35 0.07 0.00 -0.72 0.00 0.00 41.12 35.51 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 -1.28 -0.50 0.22 0.27 0.00 -1.26 -4.25 105.19 98.39 1ds9 n GLY 181 Ca 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.63 0.31 0.00 1.61 2.86 -1.96 -0.90 114.93 117.48 1ds9 h MET 182 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ds9 h MET 182 Cb 0.14 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1ds9 h MET 182 CO 0.00 0.21 0.00 -0.35 1.06 0.00 0.00 176.91 177.83 1ds9 n PRO 183 N -5.06 0.98 0.01 -0.22 -0.04 -1.26 -4.25 135.00 125.16 1ds9 n PRO 183 Ca 0.08 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 1ds9 n PRO 183 Cb 0.28 -1.23 -0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.00 0.00 -6.18 0.52 2.07 -1.45 -3.45 116.25 107.76 1ds9 h VAL 184 Ca 0.00 -0.00 -0.43 0.00 0.82 0.00 0.00 66.70 67.09 1ds9 h VAL 184 Cb 0.00 0.00 0.05 0.00 -1.52 0.00 0.00 31.29 29.82 1ds9 h VAL 184 CO 0.00 0.00 -0.88 -0.67 0.02 0.00 0.00 177.57 176.04 1ds9 n ASP 185 N -2.11 -2.56 -2.07 0.57 2.03 -1.26 -0.59 116.55 110.55 1ds9 n ASP 185 Ca -0.00 -0.92 -0.07 0.00 0.52 0.00 0.00 54.79 54.32 1ds9 n ASP 185 Cb 0.02 -3.70 -0.01 0.00 -0.72 0.00 0.00 41.12 36.70 1ds9 n ASP 185 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1ds9 n VAL 186 N -4.20 -0.24 0.05 5.18 3.14 -1.26 -4.74 118.33 116.26 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 -0.95 -0.17 0.00 -1.06 0.00 0.00 33.84 32.31 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 -1.11 0.09 0.11 6.55 -0.08 0.24 -4.24 116.55 118.11 1ds9 n ASP 187 Ca -0.08 -0.06 0.18 0.00 -1.51 0.00 0.00 54.79 53.32 1ds9 n ASP 187 Cb 0.47 1.93 0.75 0.00 2.34 0.00 0.00 41.12 46.61 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 4.22 -1.85 0.97 114.58 117.23 1ds9 h GLU 188 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ds9 h GLU 188 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1ds9 h GLU 188 CO 0.00 0.00 0.00 0.54 -2.18 0.00 0.00 179.01 177.37 1ds9 n ARG 189 N -4.04 1.24 0.06 1.92 5.12 -1.26 -2.99 116.66 116.71 1ds9 n ARG 189 Ca 0.06 -0.35 0.00 0.00 -1.93 0.00 0.00 57.85 55.62 1ds9 n ARG 189 Cb 0.48 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 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 -0.55 0.00 -0.01 5.56 -0.58 0.30 -4.39 120.64 120.97 1ds9 n GLU 190 Ca 0.21 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.82 1ds9 n GLU 190 Cb 0.19 -0.41 -0.09 0.00 -0.57 0.00 0.00 31.44 30.56 1ds9 n GLU 190 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1ds9 h GLN 191 N 0.00 0.02 0.00 3.49 4.15 -0.73 -1.27 115.11 120.78 1ds9 h GLN 191 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1ds9 h GLN 191 Cb 0.10 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1ds9 h GLN 191 CO 0.00 0.46 0.00 0.00 -1.93 0.00 0.00 178.83 177.36 1ds9 h ALA 192 N 0.56 1.00 0.04 3.38 0.00 -1.64 -0.28 119.26 122.32 1ds9 h ALA 192 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1ds9 h ALA 192 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ds9 h ALA 192 CO 0.00 0.00 -0.79 -0.97 0.00 0.00 0.00 179.25 177.49 1ds9 h ASN 193 N 0.00 0.63 0.23 0.00 -0.73 -1.42 0.61 115.58 114.91 1ds9 h ASN 193 Ca 0.00 -0.80 -0.13 0.00 1.87 0.00 0.00 56.30 57.24 1ds9 h ASN 193 Cb 0.56 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.95 1ds9 h ASN 193 CO 0.00 1.35 -0.51 0.58 -0.37 0.00 0.00 177.43 178.48 1ds9 h VAL 194 N -0.02 1.34 0.02 2.57 2.07 -1.03 -1.52 116.25 119.68 1ds9 h VAL 194 Ca -0.11 -1.76 -0.21 0.00 0.82 0.00 0.00 66.70 65.44 1ds9 h VAL 194 Cb 1.51 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1ds9 h VAL 194 CO 0.15 0.53 -0.96 0.00 0.02 0.00 0.00 177.57 177.31 1ds9 h ALA 195 N 1.22 0.43 -0.18 1.67 0.00 -1.02 0.32 119.26 121.69 1ds9 h ALA 195 Ca 0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 54.91 54.05 1ds9 h ALA 195 Cb 0.99 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ds9 h ALA 195 CO 0.08 1.07 -0.07 0.00 0.00 0.00 0.00 179.25 180.33 1ds9 h ARG 196 N 0.04 0.36 0.05 0.00 3.08 0.51 -3.18 114.38 115.24 1ds9 h ARG 196 Ca -0.04 -0.15 -0.24 0.00 0.07 0.00 0.00 59.98 59.62 1ds9 h ARG 196 Cb 1.66 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.68 1ds9 h ARG 196 CO 0.14 0.65 -1.13 0.78 -1.07 0.00 0.00 179.97 179.34 1ds9 h GLY 197 N 0.05 0.12 0.00 0.04 0.00 -1.33 -3.51 103.07 98.44 1ds9 h GLY 197 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1ds9 h GLY 197 CO 0.02 0.26 0.00 0.61 0.00 0.00 0.00 176.54 177.43