#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 -2.17 3.04 0.00 -1.26 -4.97 120.51 115.15 1ds9 n ALA 2 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1ds9 n ALA 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1ds9 n ALA 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ds9 s LYS 3 N -1.96 0.84 -0.43 0.00 1.02 -1.26 -4.24 119.74 113.71 1ds9 s LYS 3 Ca 0.00 -1.35 0.07 0.00 0.02 0.00 0.00 55.97 54.71 1ds9 s LYS 3 Cb 0.00 -0.17 0.42 0.00 -0.52 0.00 0.00 37.83 37.56 1ds9 s LYS 3 CO 0.00 -0.04 1.07 0.00 -0.92 0.00 0.00 175.35 175.46 1ds9 n ALA 4 N -0.05 4.75 -1.81 5.17 0.00 -1.26 -4.68 120.51 122.63 1ds9 n ALA 4 Ca -0.12 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.15 1ds9 n ALA 4 Cb 0.61 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1ds9 n ALA 4 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ds9 n THR 5 N -0.39 0.00 -3.98 0.00 -2.24 -1.26 -3.87 114.28 102.54 1ds9 n THR 5 Ca 0.34 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.91 1ds9 n THR 5 Cb 0.66 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 1ds9 n THR 5 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ds9 s THR 6 N 0.06 5.23 0.14 4.28 -1.32 -1.26 -2.61 115.64 120.16 1ds9 s THR 6 Ca 0.00 -1.01 -0.15 0.00 -1.21 0.00 0.00 61.69 59.32 1ds9 s THR 6 Cb 0.00 -3.84 0.01 0.00 -1.51 0.00 0.00 72.50 67.16 1ds9 s THR 6 CO 0.00 -0.33 1.68 -0.29 -2.21 0.00 0.00 174.62 173.47 1ds9 h ILE 7 N 1.18 1.21 0.79 5.08 6.09 -1.82 0.53 117.51 130.58 1ds9 h ILE 7 Ca -0.52 -0.68 -0.04 0.00 -1.37 0.00 0.00 64.86 62.26 1ds9 h ILE 7 Cb 1.23 0.83 -0.00 0.00 0.47 0.00 0.00 36.82 39.35 1ds9 h ILE 7 CO 0.61 0.25 -0.45 0.11 -3.07 0.00 0.00 178.15 175.59 1ds9 h LYS 8 N 0.57 -1.11 0.00 2.19 1.79 -1.95 -1.31 116.57 116.75 1ds9 h LYS 8 Ca 0.14 0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 58.63 1ds9 h LYS 8 Cb 0.23 0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1ds9 h LYS 8 CO -0.01 -0.74 -0.29 0.22 -1.08 0.00 0.00 179.45 177.54 1ds9 h ASP 9 N -1.16 0.00 0.54 0.86 3.58 -1.97 -1.33 116.42 116.94 1ds9 h ASP 9 Ca -0.10 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 1ds9 h ASP 9 Cb 0.92 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.97 1ds9 h ASP 9 CO 0.13 0.29 -0.26 0.00 -2.88 0.00 0.00 179.24 176.53 1ds9 h ALA 10 N 1.71 -0.72 -0.35 -0.78 0.00 0.46 0.48 119.26 120.06 1ds9 h ALA 10 Ca -0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1ds9 h ALA 10 Cb 0.60 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1ds9 h ALA 10 CO 0.04 -0.86 -0.13 0.82 0.00 0.00 0.00 179.25 179.12 1ds9 h ILE 11 N -0.80 1.28 -0.29 0.00 2.04 -1.19 -0.53 117.51 118.01 1ds9 h ILE 11 Ca -0.07 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 1ds9 h ILE 11 Cb 0.59 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1ds9 h ILE 11 CO 0.12 0.40 0.14 -0.09 0.00 0.00 0.00 178.15 178.72 1ds9 h ARG 12 N 0.50 0.40 -0.05 2.37 2.43 -1.18 0.10 114.38 118.95 1ds9 h ARG 12 Ca 0.08 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1ds9 h ARG 12 Cb 0.66 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1ds9 h ARG 12 CO 0.04 0.32 -0.23 0.82 -1.51 0.00 0.00 179.97 179.42 1ds9 h ILE 13 N 0.41 1.46 0.00 1.20 2.04 0.30 -0.87 117.51 122.04 1ds9 h ILE 13 Ca 0.10 -1.69 -0.02 0.00 1.00 0.00 0.00 64.86 64.25 1ds9 h ILE 13 Cb 0.05 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1ds9 h ILE 13 CO -0.01 0.47 -0.12 -0.26 0.00 0.00 0.00 178.15 178.23 1ds9 h PHE 14 N -0.31 0.00 0.20 1.37 0.04 -0.61 1.00 116.94 118.63 1ds9 h PHE 14 Ca -0.02 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.43 1ds9 h PHE 14 Cb 0.89 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.05 1ds9 h PHE 14 CO 0.14 0.12 -1.54 0.93 -0.60 0.00 0.00 178.31 177.36 1ds9 h GLU 15 N 0.00 0.42 0.00 1.51 5.08 -0.74 0.06 114.58 120.91 1ds9 h GLU 15 Ca -0.00 -0.71 -0.14 0.00 -1.00 0.00 0.00 59.36 57.51 1ds9 h GLU 15 Cb 0.37 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1ds9 h GLU 15 CO 0.02 1.34 -0.94 1.05 -1.00 0.00 0.00 179.01 179.48 1ds9 h GLU 16 N 0.02 0.00 0.00 2.33 4.11 -0.90 -3.04 114.58 117.10 1ds9 h GLU 16 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1ds9 h GLU 16 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1ds9 h GLU 16 CO 0.19 0.42 0.00 -2.13 0.07 0.00 0.00 179.01 177.56 1ds9 n ARG 17 N -3.07 0.00 0.27 1.06 0.00 0.34 -4.50 116.66 110.76 1ds9 n ARG 17 Ca -0.03 0.03 0.18 0.00 -0.00 0.00 0.00 57.85 58.04 1ds9 n ARG 17 Cb 0.79 -0.30 0.95 0.00 0.00 0.00 0.00 32.46 33.90 1ds9 n ARG 17 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1ds9 h LYS 18 N 0.00 0.00 -4.11 -0.14 3.11 -1.49 -3.46 116.57 110.48 1ds9 h LYS 18 Ca 0.00 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.60 1ds9 h LYS 18 Cb 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 32.23 31.32 1ds9 h LYS 18 CO 0.00 0.00 -0.44 0.43 -2.81 0.00 0.00 179.45 176.63 1ds9 n SER 19 N -2.80 -4.14 -3.61 4.20 7.64 -0.08 -4.96 113.62 109.86 1ds9 n SER 19 Ca -0.02 -0.35 -0.14 0.00 1.01 0.00 0.00 58.87 59.37 1ds9 n SER 19 Cb 0.09 -3.37 0.01 0.00 -1.01 0.00 0.00 64.21 59.93 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 -3.83 0.00 -2.92 0.44 0.24 -0.64 -4.97 118.33 106.65 1ds9 n VAL 20 Ca -0.04 -1.21 -0.22 0.00 -2.04 0.00 0.00 64.34 60.83 1ds9 n VAL 20 Cb 0.55 -0.31 -0.02 0.00 -1.47 0.00 0.00 33.84 32.59 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 -1.31 1.61 0.40 3.34 0.31 -1.26 -4.37 118.33 117.05 1ds9 n VAL 21 Ca 0.00 -4.83 -0.19 0.00 -0.01 0.00 0.00 64.34 59.32 1ds9 n VAL 21 Cb 0.35 -0.73 -0.09 0.00 -0.91 0.00 0.00 33.84 32.46 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 2.93 -1.02 -3.88 3.52 0.00 -1.91 -3.46 119.26 115.44 1ds9 h ALA 22 Ca 0.12 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1ds9 h ALA 22 Cb 0.81 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1ds9 h ALA 22 CO 0.68 -1.07 -0.24 2.41 0.00 0.00 0.00 179.25 181.02 1ds9 n THR 23 N -5.53 -0.41 -3.60 0.00 -1.04 -1.26 -0.29 114.28 102.14 1ds9 n THR 23 Ca -0.14 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.64 1ds9 n THR 23 Cb 0.41 -1.32 0.08 0.00 -1.82 0.00 0.00 70.33 67.68 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 -2.64 -7.40 -3.56 -2.82 2.13 -1.26 -4.98 120.64 100.12 1ds9 n GLU 24 Ca -0.11 0.80 -0.31 0.00 0.66 0.00 0.00 57.16 58.20 1ds9 n GLU 24 Cb 0.56 -5.82 -0.05 0.00 0.27 0.00 0.00 31.44 26.40 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 -3.34 3.70 0.59 4.31 0.00 0.60 -4.70 121.76 122.92 1ds9 s ALA 25 Ca 0.46 -0.48 0.30 0.00 0.00 0.00 0.00 51.96 52.24 1ds9 s ALA 25 Cb -0.21 -2.24 1.82 0.00 0.00 0.00 0.00 23.12 22.50 1ds9 s ALA 25 CO 0.74 0.57 2.25 0.93 0.00 0.00 0.00 175.76 180.26 1ds9 h GLU 26 N 2.60 0.00 -4.83 0.00 5.08 -1.86 -3.37 114.58 112.20 1ds9 h GLU 26 Ca -0.46 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.22 1ds9 h GLU 26 Cb 1.17 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.08 1ds9 h GLU 26 CO 0.71 0.00 -0.74 0.15 -1.00 0.00 0.00 179.01 178.12 1ds9 s LYS 27 N -4.63 2.46 -0.15 2.33 1.02 -1.26 0.12 119.74 119.63 1ds9 s LYS 27 Ca -0.05 -1.23 -0.01 0.00 0.02 0.00 0.00 55.97 54.70 1ds9 s LYS 27 Cb 0.15 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1ds9 s LYS 27 CO 0.55 -0.55 -0.12 0.08 -0.92 0.00 0.00 175.35 174.38 1ds9 s VAL 28 N 1.22 3.04 -0.72 3.17 1.01 -0.55 -4.93 120.40 122.63 1ds9 s VAL 28 Ca -0.05 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1ds9 s VAL 28 Cb -0.19 -2.29 0.18 0.00 0.00 0.00 0.00 36.38 34.08 1ds9 s VAL 28 CO -0.03 0.51 0.57 -1.61 0.00 0.00 0.00 175.10 174.54 1ds9 s GLU 29 N 0.59 2.89 0.58 2.72 8.01 -1.26 -1.01 118.70 131.21 1ds9 s GLU 29 Ca -0.07 -2.73 0.07 0.00 0.01 0.00 0.00 54.97 52.25 1ds9 s GLU 29 Cb -0.15 -3.88 0.07 0.00 -4.31 0.00 0.00 34.13 25.86 1ds9 s GLU 29 CO 0.03 -1.21 0.60 -0.51 0.01 0.00 0.00 175.26 174.18 1ds9 s LEU 30 N -0.39 2.79 0.02 1.80 2.01 0.19 -4.78 118.68 120.31 1ds9 s LEU 30 Ca 0.20 -1.13 -0.01 0.00 0.01 0.00 0.00 54.13 53.20 1ds9 s LEU 30 Cb -0.16 -1.26 -0.00 0.00 0.01 0.00 0.00 46.19 44.78 1ds9 s LEU 30 CO -0.06 -1.30 -0.02 1.57 1.01 0.00 0.00 176.35 177.55 1ds9 n HIS 31 N -2.04 0.00 -4.34 0.29 -0.00 -1.26 -4.20 115.22 103.67 1ds9 n HIS 31 Ca 0.06 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.99 1ds9 n HIS 31 Cb 0.63 -0.02 -0.09 0.00 -0.12 0.00 0.00 29.99 30.39 1ds9 n HIS 31 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1ds9 s GLY 32 N -3.35 2.30 0.34 1.57 0.00 -1.26 0.12 107.32 107.04 1ds9 s GLY 32 Ca -0.01 -2.12 0.04 0.00 0.00 0.00 0.00 44.72 42.63 1ds9 s GLY 32 CO 0.02 -1.96 0.35 1.06 0.00 0.00 0.00 173.10 172.56 1ds9 s MET 33 N -3.79 1.82 -0.44 2.90 1.00 0.12 -4.80 119.30 116.11 1ds9 s MET 33 Ca 0.37 -1.94 -0.29 0.00 0.00 0.00 0.00 55.69 53.83 1ds9 s MET 33 Cb 0.04 0.37 0.03 0.00 0.00 0.00 0.00 34.83 35.26 1ds9 s MET 33 CO 0.20 -0.70 1.15 -1.50 0.00 0.00 0.00 175.02 174.17 1ds9 s ILE 34 N -3.29 4.23 0.28 2.53 2.07 -1.26 -4.72 121.20 121.04 1ds9 s ILE 34 Ca 0.38 1.30 -0.03 0.00 -1.41 0.00 0.00 60.65 60.88 1ds9 s ILE 34 Cb 0.01 -4.53 0.25 0.00 0.13 0.00 0.00 42.46 38.32 1ds9 s ILE 34 CO 0.26 -0.89 1.94 1.55 -1.91 0.00 0.00 174.94 175.89 1ds9 h PRO 35 N 9.14 1.13 0.00 3.50 0.13 -1.93 -1.72 132.00 142.25 1ds9 h PRO 35 Ca -0.23 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1ds9 h PRO 35 Cb 1.06 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1ds9 h PRO 35 CO 1.11 0.77 0.00 -0.35 -0.23 0.00 0.00 178.00 179.30 1ds9 n PRO 36 N -4.39 0.62 -1.50 1.56 -0.04 -1.26 -1.04 135.00 128.95 1ds9 n PRO 36 Ca 0.09 0.00 -0.54 0.00 -0.04 0.00 0.00 63.50 63.01 1ds9 n PRO 36 Cb 0.05 -1.06 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.56 0.58 -1.96 0.52 3.06 -0.65 -4.63 119.36 115.72 1ds9 n ILE 37 Ca 0.02 -0.14 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 1ds9 n ILE 37 Cb 0.01 -0.23 0.00 0.00 0.54 0.00 0.00 39.64 39.96 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 1.54 0.00 -4.23 9.51 0.00 -1.20 -1.62 120.64 124.63 1ds9 n GLU 38 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 57.09 1ds9 n GLU 38 Cb 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.52 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 0.00 2.18 -0.23 5.31 1.02 -1.25 -4.27 119.74 122.50 1ds9 s LYS 39 Ca 0.00 -1.93 -0.14 0.00 0.02 0.00 0.00 55.97 53.92 1ds9 s LYS 39 Cb 0.00 -1.91 -0.09 0.00 -0.52 0.00 0.00 37.83 35.31 1ds9 s LYS 39 CO 0.00 -0.14 -0.33 -1.33 -0.92 0.00 0.00 175.35 172.63 1ds9 n MET 40 N -1.22 0.53 0.00 1.68 2.81 -1.26 -4.35 117.12 115.31 1ds9 n MET 40 Ca -0.03 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 1ds9 n MET 40 Cb 0.65 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 1ds9 n MET 40 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ds9 n ASP 41 N -4.23 0.00 0.00 7.83 9.92 -1.26 0.10 116.55 128.92 1ds9 n ASP 41 Ca -0.40 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 53.77 1ds9 n ASP 41 Cb 0.75 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.20 1ds9 n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ds9 h ALA 42 N 0.00 -0.24 -0.28 2.24 0.00 -1.71 -0.54 119.26 118.73 1ds9 h ALA 42 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1ds9 h ALA 42 Cb 0.00 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ds9 h ALA 42 CO 0.00 -0.72 -0.28 1.79 0.00 0.00 0.00 179.25 180.05 1ds9 h THR 43 N -0.32 1.30 -0.78 0.00 1.35 0.41 -0.58 112.91 114.29 1ds9 h THR 43 Ca 0.10 -1.44 0.21 0.00 -0.55 0.00 0.00 66.41 64.73 1ds9 h THR 43 Cb 0.47 1.59 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 1ds9 h THR 43 CO -0.32 0.46 0.55 -0.07 -0.25 0.00 0.00 175.52 175.90 1ds9 h LEU 44 N 0.43 0.09 0.00 3.87 3.38 0.39 -0.55 115.31 122.91 1ds9 h LEU 44 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ds9 h LEU 44 Cb 0.85 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1ds9 h LEU 44 CO 0.07 0.04 -0.78 -1.20 0.09 0.00 0.00 178.44 176.65 1ds9 n SER 45 N -4.35 1.80 0.26 -0.43 7.64 -0.26 -4.38 113.62 113.91 1ds9 n SER 45 Ca 0.16 0.43 0.16 0.00 1.01 0.00 0.00 58.87 60.62 1ds9 n SER 45 Cb 0.79 -0.78 0.73 0.00 -1.01 0.00 0.00 64.21 63.95 1ds9 n SER 45 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ds9 h THR 46 N -0.95 0.09 -0.99 0.44 1.03 -1.07 -1.44 112.91 110.01 1ds9 h THR 46 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 66.41 66.55 1ds9 h THR 46 Cb 0.78 0.59 -0.09 0.00 -1.07 0.00 0.00 68.15 68.36 1ds9 h THR 46 CO 0.00 0.00 0.61 0.17 -0.01 0.00 0.00 175.52 176.29 1ds9 h LEU 47 N 0.00 0.84 -0.95 0.00 8.10 -1.30 0.40 115.31 122.40 1ds9 h LEU 47 Ca 0.06 0.07 0.03 0.00 0.11 0.00 0.00 57.88 58.15 1ds9 h LEU 47 Cb 0.93 -0.09 -0.05 0.00 -0.44 0.00 0.00 40.66 41.00 1ds9 h LEU 47 CO -0.00 0.39 0.63 0.11 -4.11 0.00 0.00 178.44 175.45 1ds9 h LYS 48 N 0.88 1.19 -1.17 0.17 1.57 -1.53 -0.96 116.57 116.72 1ds9 h LYS 48 Ca 0.53 -0.07 -0.69 0.00 -1.87 0.00 0.00 60.65 58.55 1ds9 h LYS 48 Cb 0.66 -0.27 -0.30 0.00 0.08 0.00 0.00 32.23 32.40 1ds9 h LYS 48 CO -0.32 0.79 0.78 0.00 -0.57 0.00 0.00 179.45 180.13 1ds9 n ALA 49 N -2.36 6.28 -2.81 3.86 0.00 0.12 -4.95 120.51 120.64 1ds9 n ALA 49 Ca 0.12 -3.63 -0.33 0.00 0.00 0.00 0.00 53.44 49.61 1ds9 n ALA 49 Cb 0.07 -1.71 -0.14 0.00 0.00 0.00 0.00 19.45 17.68 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 2.98 0.00 -3.64 0.00 0.00 -1.02 -4.76 118.16 111.73 1ds9 n LYS 51 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 57.86 1ds9 n LYS 51 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.39 1ds9 n LYS 51 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1ds9 s HIS 52 N -1.54 0.48 -0.19 5.64 2.46 0.12 -1.24 115.29 121.02 1ds9 s HIS 52 Ca 0.00 -0.59 -0.05 0.00 0.47 0.00 0.00 55.06 54.89 1ds9 s HIS 52 Cb 0.00 -0.84 -0.03 0.00 -0.13 0.00 0.00 32.58 31.58 1ds9 s HIS 52 CO 0.00 -0.60 -0.00 -1.17 -2.47 0.00 0.00 174.74 170.50 1ds9 s LEU 53 N 2.04 3.32 -0.26 8.88 2.96 -0.47 -1.49 118.68 133.67 1ds9 s LEU 53 Ca 0.03 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 1ds9 s LEU 53 Cb -0.16 -1.83 0.06 0.00 0.50 0.00 0.00 46.19 44.76 1ds9 s LEU 53 CO -0.14 0.10 -0.11 0.00 -1.32 0.00 0.00 176.35 174.89 1ds9 s ALA 54 N 0.81 2.57 0.00 5.97 0.00 -0.18 0.29 121.76 131.22 1ds9 s ALA 54 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1ds9 s ALA 54 Cb -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1ds9 s ALA 54 CO 0.02 -1.21 0.00 1.28 0.00 0.00 0.00 175.76 175.85 1ds9 n LEU 55 N 4.43 0.00 0.00 0.00 7.99 0.15 -0.63 117.00 128.93 1ds9 n LEU 55 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.86 1ds9 n LEU 55 Cb 0.42 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1ds9 n LEU 55 CO 0.21 -0.03 0.00 -1.20 -1.51 0.00 0.00 177.39 174.86 1ds9 n SER 56 N -0.30 0.00 -3.93 -1.43 7.64 0.33 -4.13 113.62 111.80 1ds9 n SER 56 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1ds9 n SER 56 Cb 0.00 0.40 -0.15 0.00 -1.01 0.00 0.00 64.21 63.44 1ds9 n SER 56 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ds9 s THR 57 N -1.80 1.61 -0.30 0.44 -4.23 0.14 0.81 115.64 112.31 1ds9 s THR 57 Ca 0.00 -1.47 -0.11 0.00 -1.18 0.00 0.00 61.69 58.93 1ds9 s THR 57 Cb 0.00 -1.96 0.12 0.00 1.34 0.00 0.00 72.50 72.00 1ds9 s THR 57 CO 0.00 -0.27 0.67 0.54 -0.54 0.00 0.00 174.62 175.03 1ds9 s ASN 58 N 1.32 -1.09 -0.43 3.99 4.22 -0.36 -0.70 114.94 121.89 1ds9 s ASN 58 Ca -0.01 1.54 -0.10 0.00 -2.14 0.00 0.00 52.86 52.15 1ds9 s ASN 58 Cb -0.19 2.09 0.08 0.00 1.28 0.00 0.00 41.25 44.52 1ds9 s ASN 58 CO -0.09 -0.22 0.29 0.21 -2.04 0.00 0.00 177.10 175.25 1ds9 s ASN 59 N 2.61 5.74 -0.40 3.54 3.84 -1.26 -1.18 114.94 127.82 1ds9 s ASN 59 Ca -0.07 -1.52 -0.29 0.00 0.21 0.00 0.00 52.86 51.19 1ds9 s ASN 59 Cb -0.10 -2.03 0.01 0.00 -0.55 0.00 0.00 41.25 38.58 1ds9 s ASN 59 CO -0.19 -0.58 1.34 -0.63 -2.79 0.00 0.00 177.10 174.25 1ds9 s ILE 60 N 1.46 4.00 -0.12 -5.21 -1.09 0.31 -4.12 121.20 116.43 1ds9 s ILE 60 Ca 0.03 1.05 -0.22 0.00 -2.23 0.00 0.00 60.65 59.29 1ds9 s ILE 60 Cb -0.24 -4.26 -0.19 0.00 -1.58 0.00 0.00 42.46 36.19 1ds9 s ILE 60 CO 0.03 -0.74 0.62 -0.08 -1.23 0.00 0.00 174.94 173.54 1ds9 h GLU 61 N 10.15 -0.01 -3.71 2.79 4.81 -1.23 -3.38 114.58 124.00 1ds9 h GLU 61 Ca -0.26 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.89 1ds9 h GLU 61 Cb 1.10 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.36 1ds9 h GLU 61 CO 1.08 0.72 -0.22 0.15 -0.73 0.00 0.00 179.01 180.01 1ds9 s LYS 62 N -2.20 1.21 -0.30 1.92 1.02 -0.64 -4.69 119.74 116.06 1ds9 s LYS 62 Ca -0.14 -1.07 -0.10 0.00 0.02 0.00 0.00 55.97 54.68 1ds9 s LYS 62 Cb -0.02 0.42 0.14 0.00 -0.52 0.00 0.00 37.83 37.85 1ds9 s LYS 62 CO 0.52 -0.46 0.70 -1.50 -0.92 0.00 0.00 175.35 173.69 1ds9 s ILE 63 N -3.93 -0.92 -2.90 2.17 -1.16 -1.26 -3.24 121.20 109.95 1ds9 s ILE 63 Ca 0.14 0.00 0.23 0.00 -0.51 0.00 0.00 60.65 60.51 1ds9 s ILE 63 Cb 0.02 -1.00 0.20 0.00 0.61 0.00 0.00 42.46 42.29 1ds9 s ILE 63 CO -0.02 0.00 1.26 -0.24 -2.81 0.00 0.00 174.94 173.13 1ds9 n SER 64 N 5.38 3.00 -3.58 4.50 2.88 -1.26 -4.60 113.62 119.94 1ds9 n SER 64 Ca -0.10 -1.98 -0.41 0.00 -1.33 0.00 0.00 58.87 55.05 1ds9 n SER 64 Cb 0.50 -0.02 0.02 0.00 -0.75 0.00 0.00 64.21 63.96 1ds9 n SER 64 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ds9 n SER 65 N 1.33 7.35 -0.14 -3.46 3.41 -1.26 -4.77 113.62 116.08 1ds9 n SER 65 Ca 0.14 -3.70 -0.06 0.00 -0.26 0.00 0.00 58.87 54.99 1ds9 n SER 65 Cb 0.59 -1.15 0.02 0.00 -0.26 0.00 0.00 64.21 63.41 1ds9 n SER 65 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1ds9 h LEU 66 N 4.10 0.36 -1.18 1.04 8.10 -1.89 -0.84 115.31 125.00 1ds9 h LEU 66 Ca 0.54 0.01 -0.09 0.00 0.11 0.00 0.00 57.88 58.46 1ds9 h LEU 66 Cb 0.30 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.45 1ds9 h LEU 66 CO 1.20 0.26 -0.40 0.28 -4.11 0.00 0.00 178.44 175.67 1ds9 h SER 67 N 0.47 0.03 0.26 0.17 0.02 -1.96 0.24 113.55 112.78 1ds9 h SER 67 Ca 0.18 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1ds9 h SER 67 Cb 0.06 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1ds9 h SER 67 CO -0.11 0.42 -0.13 1.23 -1.14 0.00 0.00 176.83 177.11 1ds9 h GLY 68 N 1.20 -0.37 2.00 -3.77 0.00 -1.49 -2.19 103.07 98.45 1ds9 h GLY 68 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1ds9 h GLY 68 CO 0.05 -0.13 0.00 1.03 0.00 0.00 0.00 176.54 177.49 1ds9 n MET 69 N -5.22 0.18 0.00 4.80 2.81 -0.60 -3.57 117.12 115.51 1ds9 n MET 69 Ca -0.10 0.18 0.01 0.00 -1.81 0.00 0.00 57.70 55.98 1ds9 n MET 69 Cb 0.18 -1.72 0.03 0.00 -0.71 0.00 0.00 33.22 31.00 1ds9 n MET 69 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1ds9 n GLU 70 N -2.04 0.02 -0.33 0.03 2.13 0.83 -1.53 120.64 119.76 1ds9 n GLU 70 Ca 0.06 0.21 0.07 0.00 0.66 0.00 0.00 57.16 58.16 1ds9 n GLU 70 Cb 0.38 -1.50 0.21 0.00 0.27 0.00 0.00 31.44 30.80 1ds9 n GLU 70 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ds9 n ASN 71 N -1.22 3.47 -4.90 4.31 4.13 -1.23 -4.51 115.26 115.31 1ds9 n ASN 71 Ca 0.01 -2.55 -0.29 0.00 1.68 0.00 0.00 54.58 53.42 1ds9 n ASN 71 Cb 0.01 -0.40 0.08 0.00 -1.54 0.00 0.00 39.78 37.92 1ds9 n ASN 71 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ds9 s LEU 72 N -1.99 2.63 0.00 3.41 1.43 -0.58 -4.64 118.68 118.93 1ds9 s LEU 72 Ca 0.34 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1ds9 s LEU 72 Cb 0.24 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1ds9 s LEU 72 CO 0.12 -1.74 0.00 0.54 0.23 0.00 0.00 176.35 175.50 1ds9 n ARG 73 N -3.20 0.00 -5.26 1.70 5.12 -1.20 -3.36 116.66 110.46 1ds9 n ARG 73 Ca 0.08 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.68 1ds9 n ARG 73 Cb 0.60 -0.22 -0.16 0.00 -1.16 0.00 0.00 32.46 31.52 1ds9 n ARG 73 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1ds9 s ILE 74 N -1.47 2.08 -0.20 0.55 1.01 -0.37 -1.32 121.20 121.48 1ds9 s ILE 74 Ca 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 1ds9 s ILE 74 Cb 0.00 -1.75 0.06 0.00 0.01 0.00 0.00 42.46 40.79 1ds9 s ILE 74 CO 0.00 0.57 0.06 -0.22 0.00 0.00 0.00 174.94 175.35 1ds9 s LEU 75 N -0.17 1.04 -0.55 2.97 2.96 -0.24 -1.36 118.68 123.33 1ds9 s LEU 75 Ca -0.03 -0.86 -0.21 0.00 -0.22 0.00 0.00 54.13 52.81 1ds9 s LEU 75 Cb -0.14 -0.53 0.06 0.00 0.50 0.00 0.00 46.19 46.08 1ds9 s LEU 75 CO 0.04 -0.33 0.77 -0.44 -1.32 0.00 0.00 176.35 175.07 1ds9 s SER 76 N 1.91 6.25 0.08 3.68 0.01 0.15 -1.52 113.70 124.26 1ds9 s SER 76 Ca 0.01 -0.80 0.08 0.00 1.31 0.00 0.00 55.95 56.55 1ds9 s SER 76 Cb -0.17 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 1ds9 s SER 76 CO -0.11 -1.09 -0.20 -0.22 0.41 0.00 0.00 173.24 172.03 1ds9 s LEU 77 N 3.23 2.26 0.00 2.44 0.20 0.16 0.30 118.68 127.27 1ds9 s LEU 77 Ca 0.20 -0.63 0.00 0.00 0.69 0.00 0.00 54.13 54.39 1ds9 s LEU 77 Cb -0.17 -0.88 0.00 0.00 -0.43 0.00 0.00 46.19 44.71 1ds9 s LEU 77 CO 0.13 0.08 0.00 0.61 -0.29 0.00 0.00 176.35 176.88 1ds9 n GLY 78 N 1.32 0.00 2.71 7.98 0.00 -1.26 -2.60 105.19 113.35 1ds9 n GLY 78 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 1ds9 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ds9 s ARG 79 N -1.59 0.21 0.19 1.61 3.00 0.24 0.80 118.95 123.41 1ds9 s ARG 79 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 55.73 55.61 1ds9 s ARG 79 Cb 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 34.95 33.81 1ds9 s ARG 79 CO 0.00 -0.79 0.40 0.54 0.00 0.00 0.00 175.30 175.45 1ds9 s ASN 80 N 2.28 -0.09 0.01 0.23 6.03 -0.56 -1.22 114.94 121.63 1ds9 s ASN 80 Ca 0.07 -0.73 0.01 0.00 -1.03 0.00 0.00 52.86 51.18 1ds9 s ASN 80 Cb -0.15 0.51 -0.01 0.00 -3.03 0.00 0.00 41.25 38.56 1ds9 s ASN 80 CO -0.20 -0.99 -0.05 -0.76 -2.03 0.00 0.00 177.10 173.08 1ds9 s LEU 81 N -2.94 2.11 -0.08 3.54 1.02 -0.33 -1.37 118.68 120.63 1ds9 s LEU 81 Ca 0.15 -0.26 -0.03 0.00 0.02 0.00 0.00 54.13 54.01 1ds9 s LEU 81 Cb 0.01 -0.14 0.05 0.00 0.02 0.00 0.00 46.19 46.12 1ds9 s LEU 81 CO 0.00 -0.07 0.16 -0.63 0.02 0.00 0.00 176.35 175.83 1ds9 s ILE 82 N -0.63 -0.22 -0.13 -0.59 1.01 0.13 -0.53 121.20 120.24 1ds9 s ILE 82 Ca -0.04 0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 1ds9 s ILE 82 Cb -0.05 -0.28 -0.06 0.00 0.01 0.00 0.00 42.46 42.08 1ds9 s ILE 82 CO -0.00 0.13 -0.24 1.17 0.00 0.00 0.00 174.94 176.00 1ds9 n LYS 83 N 5.09 0.38 -1.88 2.79 4.81 -1.26 -3.78 118.16 124.32 1ds9 n LYS 83 Ca -0.09 0.16 -0.30 0.00 -0.87 0.00 0.00 58.31 57.21 1ds9 n LYS 83 Cb 0.50 -1.15 0.07 0.00 0.02 0.00 0.00 35.03 34.47 1ds9 n LYS 83 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ds9 s LYS 84 N -2.50 2.39 -0.10 1.64 2.47 -1.26 -3.91 119.74 118.47 1ds9 s LYS 84 Ca -0.23 0.30 0.00 0.00 -1.56 0.00 0.00 55.97 54.49 1ds9 s LYS 84 Cb 0.06 -1.98 0.02 0.00 -1.46 0.00 0.00 37.83 34.47 1ds9 s LYS 84 CO 0.31 -1.34 -0.09 -1.50 0.16 0.00 0.00 175.35 172.89 1ds9 s ILE 85 N -3.46 1.08 0.00 5.43 -1.16 -1.26 -4.90 121.20 116.93 1ds9 s ILE 85 Ca 0.60 -0.36 0.00 0.00 -0.51 0.00 0.00 60.65 60.38 1ds9 s ILE 85 Cb -0.11 -1.05 0.00 0.00 0.61 0.00 0.00 42.46 41.90 1ds9 s ILE 85 CO 0.51 0.37 0.00 1.21 -2.81 0.00 0.00 174.94 174.21 1ds9 n GLU 86 N 4.56 0.00 0.03 3.50 2.13 -1.26 -4.91 120.64 124.68 1ds9 n GLU 86 Ca -0.16 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.71 1ds9 n GLU 86 Cb 0.51 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.12 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 -2.03 0.53 -0.14 4.31 5.15 -1.26 -4.19 115.26 117.63 1ds9 n ASN 87 Ca 0.00 0.22 0.23 0.00 -0.60 0.00 0.00 54.58 54.43 1ds9 n ASN 87 Cb 0.00 0.84 0.65 0.00 -0.53 0.00 0.00 39.78 40.74 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 0.12 0.57 1.20 4.07 -1.92 -1.44 115.31 117.91 1ds9 h LEU 88 Ca -0.11 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 1ds9 h LEU 88 Cb 1.33 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 43.06 1ds9 h LEU 88 CO 0.02 0.05 -0.27 0.44 -1.08 0.00 0.00 178.44 177.60 1ds9 h ASP 89 N 0.12 -0.65 -0.15 -0.43 5.19 -1.90 0.51 116.42 119.12 1ds9 h ASP 89 Ca 0.38 0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.85 1ds9 h ASP 89 Cb 1.32 0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.96 1ds9 h ASP 89 CO -0.05 -0.26 -0.07 0.00 -3.12 0.00 0.00 179.24 175.74 1ds9 h ALA 90 N -1.24 0.06 -0.91 3.45 0.00 -1.70 0.90 119.26 119.83 1ds9 h ALA 90 Ca -0.08 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ds9 h ALA 90 Cb 0.59 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1ds9 h ALA 90 CO 0.13 -0.51 0.52 -0.39 0.00 0.00 0.00 179.25 178.99 1ds9 h VAL 91 N -0.05 1.26 0.00 0.00 -1.51 -1.37 -0.83 116.25 113.75 1ds9 h VAL 91 Ca 0.08 -0.61 -0.04 0.00 -1.23 0.00 0.00 66.70 64.91 1ds9 h VAL 91 Cb 0.18 0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.34 1ds9 h VAL 91 CO -0.19 0.28 -0.19 0.00 -1.23 0.00 0.00 177.57 176.25 1ds9 h ALA 92 N 1.28 1.36 0.05 5.19 0.00 -0.07 0.43 119.26 127.49 1ds9 h ALA 92 Ca 0.32 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.81 1ds9 h ALA 92 Cb -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ds9 h ALA 92 CO -0.06 0.23 -1.29 -0.44 0.00 0.00 0.00 179.25 177.69 1ds9 h ASP 93 N 0.00 0.15 0.04 0.00 5.19 0.46 -3.38 116.42 118.88 1ds9 h ASP 93 Ca -0.00 -0.19 -0.26 0.00 -0.62 0.00 0.00 57.03 55.95 1ds9 h ASP 93 Cb 0.42 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 39.83 1ds9 h ASP 93 CO 0.02 1.16 -2.23 1.07 -3.12 0.00 0.00 179.24 176.14 1ds9 n THR 94 N -3.34 1.01 -0.40 0.35 5.66 -0.46 -4.98 114.28 112.11 1ds9 n THR 94 Ca -0.08 -0.75 -0.30 0.00 -3.05 0.00 0.00 64.05 59.86 1ds9 n THR 94 Cb 1.00 -0.36 0.28 0.00 -1.55 0.00 0.00 70.33 69.70 1ds9 n THR 94 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1ds9 s LEU 95 N -5.25 -0.91 0.00 1.09 2.01 0.15 -4.46 118.68 111.31 1ds9 s LEU 95 Ca -0.09 0.91 0.00 0.00 0.01 0.00 0.00 54.13 54.96 1ds9 s LEU 95 Cb 0.08 -2.38 0.00 0.00 0.01 0.00 0.00 46.19 43.90 1ds9 s LEU 95 CO 0.85 -5.26 0.00 1.21 1.01 0.00 0.00 176.35 174.17 1ds9 n GLU 96 N -5.57 0.00 -3.80 1.70 2.13 -0.43 -4.67 120.64 110.00 1ds9 n GLU 96 Ca 0.12 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.57 1ds9 n GLU 96 Cb 0.59 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.18 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 -1.59 2.27 -0.18 5.31 2.02 -0.65 -1.67 118.70 124.22 1ds9 s GLU 97 Ca 0.00 -1.52 0.01 0.00 0.02 0.00 0.00 54.97 53.48 1ds9 s GLU 97 Cb 0.00 -3.45 0.02 0.00 0.10 0.00 0.00 34.13 30.80 1ds9 s GLU 97 CO 0.00 -0.86 -0.20 -0.51 0.02 0.00 0.00 175.26 173.71 1ds9 s LEU 98 N 1.24 2.14 -0.35 1.80 1.02 -0.49 -1.08 118.68 122.95 1ds9 s LEU 98 Ca 0.02 -0.65 -0.03 0.00 0.02 0.00 0.00 54.13 53.49 1ds9 s LEU 98 Cb -0.21 -1.48 0.07 0.00 0.02 0.00 0.00 46.19 44.59 1ds9 s LEU 98 CO -0.02 0.00 0.10 0.26 0.02 0.00 0.00 176.35 176.72 1ds9 s TRP 99 N 1.27 3.40 -0.39 0.29 0.51 -0.57 -1.38 118.94 122.06 1ds9 s TRP 99 Ca 0.05 -2.01 0.02 0.00 -2.12 0.00 0.00 56.10 52.04 1ds9 s TRP 99 Cb -0.13 -2.60 0.12 0.00 -0.81 0.00 0.00 33.47 30.04 1ds9 s TRP 99 CO -0.12 -0.86 0.16 0.96 -0.51 0.00 0.00 176.95 176.57 1ds9 s ILE 100 N 1.24 1.59 0.04 2.03 -4.36 -0.00 0.38 121.20 122.12 1ds9 s ILE 100 Ca 0.01 -2.27 -0.34 0.00 -0.26 0.00 0.00 60.65 57.80 1ds9 s ILE 100 Cb -0.21 -2.15 -0.19 0.00 1.25 0.00 0.00 42.46 41.16 1ds9 s ILE 100 CO -0.02 -0.75 1.40 -1.28 0.24 0.00 0.00 174.94 174.53 1ds9 h SER 101 N 7.30 -1.03 -3.46 4.36 0.87 -1.62 -3.32 113.55 116.65 1ds9 h SER 101 Ca -0.06 0.04 -0.67 0.00 -1.23 0.00 0.00 61.79 59.86 1ds9 h SER 101 Cb 0.97 0.27 -0.32 0.00 -0.44 0.00 0.00 62.40 62.88 1ds9 h SER 101 CO 0.52 -0.68 -0.76 -0.47 -0.53 0.00 0.00 176.83 174.91 1ds9 s TYR 102 N -5.50 3.03 -0.05 2.24 6.14 0.24 0.79 117.35 124.24 1ds9 s TYR 102 Ca -0.18 -1.51 -0.04 0.00 0.64 0.00 0.00 57.07 55.99 1ds9 s TYR 102 Cb 0.02 -2.05 0.02 0.00 0.42 0.00 0.00 41.96 40.37 1ds9 s TYR 102 CO 0.53 -0.72 0.12 0.54 0.64 0.00 0.00 175.55 176.67 1ds9 s ASN 103 N 1.33 -0.12 -0.20 4.32 4.22 -0.46 -1.50 114.94 122.53 1ds9 s ASN 103 Ca 0.01 0.25 -0.05 0.00 -2.14 0.00 0.00 52.86 50.93 1ds9 s ASN 103 Cb -0.16 0.24 -0.02 0.00 1.28 0.00 0.00 41.25 42.58 1ds9 s ASN 103 CO -0.05 -0.06 -0.00 -1.10 -2.04 0.00 0.00 177.10 173.85 1ds9 s GLN 104 N 0.20 3.62 0.22 3.55 -0.21 -0.47 0.32 119.66 126.89 1ds9 s GLN 104 Ca -0.01 -0.52 0.04 0.00 0.02 0.00 0.00 55.36 54.89 1ds9 s GLN 104 Cb -0.02 -3.07 -0.05 0.00 1.00 0.00 0.00 33.01 30.86 1ds9 s GLN 104 CO -0.01 0.02 -0.03 0.42 -2.12 0.00 0.00 175.29 173.57 1ds9 s ILE 105 N 0.98 1.12 0.00 1.08 -1.09 -0.52 -0.69 121.20 122.08 1ds9 s ILE 105 Ca 0.02 -2.05 0.00 0.00 -2.23 0.00 0.00 60.65 56.39 1ds9 s ILE 105 Cb -0.14 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.48 1ds9 s ILE 105 CO 0.02 -0.40 0.00 0.00 -1.23 0.00 0.00 174.94 173.32 1ds9 n ALA 106 N -0.39 0.13 -2.20 9.38 0.00 -1.25 -4.38 120.51 121.81 1ds9 n ALA 106 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 1ds9 n ALA 106 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 1ds9 n ALA 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ds9 s SER 107 N -0.58 7.39 0.11 0.00 0.15 -1.25 -4.95 113.70 114.56 1ds9 s SER 107 Ca 0.00 1.91 -0.20 0.00 0.70 0.00 0.00 55.95 58.36 1ds9 s SER 107 Cb 0.00 -2.59 -0.09 0.00 -1.71 0.00 0.00 66.02 61.63 1ds9 s SER 107 CO 0.00 -0.14 1.72 -0.07 1.20 0.00 0.00 173.24 175.95 1ds9 h LEU 108 N 5.46 0.21 -1.36 3.45 -0.00 -1.99 -1.45 115.31 119.63 1ds9 h LEU 108 Ca -0.43 -0.06 -0.06 0.00 -0.00 0.00 0.00 57.88 57.33 1ds9 h LEU 108 Cb 1.21 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.81 1ds9 h LEU 108 CO 0.72 0.21 -0.18 0.28 -0.00 0.00 0.00 178.44 179.48 1ds9 h SER 109 N 0.19 0.19 0.53 -0.43 0.02 -1.98 -0.60 113.55 111.48 1ds9 h SER 109 Ca 0.06 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1ds9 h SER 109 Cb 0.04 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.54 1ds9 h SER 109 CO -0.01 0.39 -0.26 1.23 -1.14 0.00 0.00 176.83 177.04 1ds9 h GLY 110 N 0.80 -0.75 0.86 -3.77 0.00 -1.75 -0.75 103.07 97.72 1ds9 h GLY 110 Ca 0.03 0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.68 1ds9 h GLY 110 CO 0.03 -0.27 0.62 0.16 0.00 0.00 0.00 176.54 177.07 1ds9 h ILE 111 N -0.81 1.15 -0.68 2.60 -0.00 -1.27 -0.72 117.51 117.79 1ds9 h ILE 111 Ca -0.07 -0.41 0.04 0.00 -0.00 0.00 0.00 64.86 64.42 1ds9 h ILE 111 Cb 0.55 -0.14 -0.05 0.00 -0.00 0.00 0.00 36.82 37.18 1ds9 h ILE 111 CO 0.12 0.22 0.40 -0.08 -0.00 0.00 0.00 178.15 178.81 1ds9 h GLU 112 N 1.19 0.74 0.23 0.16 4.81 -1.07 0.88 114.58 121.53 1ds9 h GLU 112 Ca 0.38 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1ds9 h GLU 112 Cb 0.02 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1ds9 h GLU 112 CO -0.13 0.49 -0.11 0.87 -0.73 0.00 0.00 179.01 179.40 1ds9 h LYS 113 N 0.76 -0.30 -0.54 1.92 1.79 -0.50 0.14 116.57 119.85 1ds9 h LYS 113 Ca 0.29 0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.93 1ds9 h LYS 113 Cb 0.10 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1ds9 h LYS 113 CO -0.14 -0.20 0.45 1.37 -1.08 0.00 0.00 179.45 179.85 1ds9 h LEU 114 N -0.93 0.00 0.12 2.94 8.10 -1.18 0.52 115.31 124.88 1ds9 h LEU 114 Ca -0.03 0.00 -0.30 0.00 0.11 0.00 0.00 57.88 57.66 1ds9 h LEU 114 Cb 0.24 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.46 1ds9 h LEU 114 CO 0.05 0.00 -1.46 0.58 -4.11 0.00 0.00 178.44 173.50 1ds9 h VAL 115 N 0.00 1.24 0.00 0.15 2.07 -0.86 -3.17 116.25 115.67 1ds9 h VAL 115 Ca 0.26 -2.86 0.00 0.00 0.82 0.00 0.00 66.70 64.91 1ds9 h VAL 115 Cb 1.16 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1ds9 h VAL 115 CO -0.00 0.83 0.00 -1.13 0.02 0.00 0.00 177.57 177.29 1ds9 h ASN 116 N 0.07 0.00 -1.00 0.57 -0.73 0.29 -3.44 115.58 111.34 1ds9 h ASN 116 Ca -0.21 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 57.91 1ds9 h ASN 116 Cb 2.00 0.00 0.03 0.00 0.27 0.00 0.00 38.32 40.62 1ds9 h ASN 116 CO 0.17 0.00 -0.02 0.18 -0.37 0.00 0.00 177.43 177.39 1ds9 n LEU 117 N -2.91 0.00 0.00 0.34 4.77 -0.32 -4.87 117.00 114.00 1ds9 n LEU 117 Ca -0.02 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1ds9 n LEU 117 Cb 0.12 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1ds9 n LEU 117 CO 0.20 -1.59 0.01 0.54 -1.33 0.00 0.00 177.39 175.22 1ds9 n ARG 118 N -1.68 0.00 -4.71 3.23 5.12 -1.26 -4.56 116.66 112.80 1ds9 n ARG 118 Ca 0.02 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.61 1ds9 n ARG 118 Cb 0.08 -0.44 -0.15 0.00 -1.16 0.00 0.00 32.46 30.79 1ds9 n ARG 118 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ds9 s VAL 119 N -0.04 2.95 -0.08 1.55 0.11 -0.67 -1.41 120.40 122.81 1ds9 s VAL 119 Ca 0.00 -0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 58.35 1ds9 s VAL 119 Cb 0.00 -2.24 0.03 0.00 -1.53 0.00 0.00 36.38 32.63 1ds9 s VAL 119 CO 0.00 0.52 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.51 1ds9 s LEU 120 N 0.49 0.74 -0.32 2.54 1.02 -0.42 -1.40 118.68 121.32 1ds9 s LEU 120 Ca -0.09 -0.14 -0.15 0.00 0.02 0.00 0.00 54.13 53.76 1ds9 s LEU 120 Cb -0.16 -0.54 -0.02 0.00 0.02 0.00 0.00 46.19 45.49 1ds9 s LEU 120 CO 0.04 -0.17 0.38 -0.31 0.02 0.00 0.00 176.35 176.31 1ds9 s TYR 121 N 1.90 3.22 -0.46 0.29 1.51 -0.48 -1.28 117.35 122.05 1ds9 s TYR 121 Ca 0.05 0.16 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 1ds9 s TYR 121 Cb -0.12 -2.67 0.14 0.00 -0.11 0.00 0.00 41.96 39.20 1ds9 s TYR 121 CO -0.06 -0.37 0.26 -1.64 -1.11 0.00 0.00 175.55 172.63 1ds9 s MET 122 N 2.08 1.41 0.00 -0.62 -1.94 0.23 -0.82 119.30 119.63 1ds9 s MET 122 Ca 0.14 -2.14 0.27 0.00 -1.71 0.00 0.00 55.69 52.24 1ds9 s MET 122 Cb -0.16 -2.46 0.82 0.00 2.01 0.00 0.00 34.83 35.04 1ds9 s MET 122 CO 0.11 -1.17 1.61 -1.13 -0.01 0.00 0.00 175.02 174.44 1ds9 n SER 123 N 3.40 0.68 -2.82 3.03 3.41 -1.16 -1.47 113.62 118.70 1ds9 n SER 123 Ca 0.09 -0.54 -0.11 0.00 -0.26 0.00 0.00 58.87 58.05 1ds9 n SER 123 Cb 0.35 0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.02 -2.09 -4.94 4.04 3.02 0.24 -2.71 115.26 111.80 1ds9 n ASN 124 Ca 0.10 -3.41 -0.24 0.00 -0.03 0.00 0.00 54.58 51.01 1ds9 n ASN 124 Cb 0.33 1.47 -0.00 0.00 -0.61 0.00 0.00 39.78 40.96 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 -1.54 6.08 -0.37 6.41 2.20 0.23 -1.36 114.94 126.59 1ds9 s ASN 125 Ca 0.29 0.44 0.04 0.00 -0.94 0.00 0.00 52.86 52.68 1ds9 s ASN 125 Cb 0.26 -1.84 0.11 0.00 -2.00 0.00 0.00 41.25 37.78 1ds9 s ASN 125 CO -0.14 -0.51 0.09 -0.75 -2.94 0.00 0.00 177.10 172.85 1ds9 s LYS 126 N -4.48 1.55 -0.08 3.55 2.36 0.15 -3.94 119.74 118.85 1ds9 s LYS 126 Ca 0.45 -1.99 -0.03 0.00 -2.55 0.00 0.00 55.97 51.84 1ds9 s LYS 126 Cb -0.10 -3.18 0.04 0.00 -1.05 0.00 0.00 37.83 33.55 1ds9 s LYS 126 CO 0.38 -0.98 0.16 0.42 1.55 0.00 0.00 175.35 176.89 1ds9 s ILE 127 N 0.69 -0.16 -0.12 5.43 1.01 -1.26 -1.43 121.20 125.36 1ds9 s ILE 127 Ca 0.12 0.26 0.14 0.00 0.00 0.00 0.00 60.65 61.17 1ds9 s ILE 127 Cb -0.20 -0.28 0.30 0.00 0.01 0.00 0.00 42.46 42.29 1ds9 s ILE 127 CO -0.07 0.11 1.15 0.35 0.00 0.00 0.00 174.94 176.48 1ds9 n THR 128 N 4.74 1.46 -1.97 2.92 -2.24 -1.26 -1.03 114.28 116.90 1ds9 n THR 128 Ca -0.16 -2.05 -0.40 0.00 -2.27 0.00 0.00 64.05 59.17 1ds9 n THR 128 Cb 0.51 0.02 0.04 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.88 7.53 -0.30 3.42 2.85 -1.26 -4.75 115.26 121.86 1ds9 n ASN 129 Ca 0.13 -3.83 0.12 0.00 -0.11 0.00 0.00 54.58 50.90 1ds9 n ASN 129 Cb 0.72 -1.08 0.29 0.00 1.24 0.00 0.00 39.78 40.96 1ds9 n ASN 129 CO 0.00 0.00 0.00 -0.25 -2.11 0.00 0.00 177.26 174.90 1ds9 h TRP 130 N 3.08 0.62 -0.93 1.20 7.01 -1.94 0.12 115.95 125.11 1ds9 h TRP 130 Ca 0.57 0.04 0.18 0.00 2.11 0.00 0.00 58.89 61.79 1ds9 h TRP 130 Cb 0.04 -0.13 -0.17 0.00 -2.10 0.00 0.00 29.16 26.80 1ds9 h TRP 130 CO 1.19 -0.05 -0.27 0.78 -2.79 0.00 0.00 178.44 177.31 1ds9 h GLY 131 N 0.39 0.53 0.00 2.65 0.00 -2.01 -1.50 103.07 103.13 1ds9 h GLY 131 Ca 0.55 0.35 -0.16 0.00 0.00 0.00 0.00 47.33 48.06 1ds9 h GLY 131 CO -0.52 -0.32 -1.61 1.18 0.00 0.00 0.00 176.54 175.27 1ds9 n GLU 132 N -5.56 0.26 0.14 4.80 1.02 -0.96 -4.60 120.64 115.74 1ds9 n GLU 132 Ca 0.13 0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.47 1ds9 n GLU 132 Cb 0.45 -1.16 0.66 0.00 -0.02 0.00 0.00 31.44 31.37 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 -0.07 0.89 -0.57 -3.67 2.04 -0.84 0.32 117.51 115.61 1ds9 h ILE 133 Ca -0.24 -0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.73 1ds9 h ILE 133 Cb 1.35 0.87 -0.11 0.00 -0.74 0.00 0.00 36.82 38.19 1ds9 h ILE 133 CO -0.06 0.00 -0.15 -2.24 0.00 0.00 0.00 178.15 175.71 1ds9 h ASP 134 N 0.01 -0.54 0.00 1.72 2.03 -1.39 -1.01 116.42 117.24 1ds9 h ASP 134 Ca 0.11 0.17 -0.35 0.00 -0.73 0.00 0.00 57.03 56.23 1ds9 h ASP 134 Cb 0.44 0.36 -0.06 0.00 -0.83 0.00 0.00 39.33 39.24 1ds9 h ASP 134 CO -0.00 -0.19 -2.28 2.29 -1.03 0.00 0.00 179.24 178.02 1ds9 n LYS 135 N -5.40 0.54 0.24 4.15 2.85 -1.06 -4.42 118.16 115.06 1ds9 n LYS 135 Ca 0.06 0.16 0.16 0.00 -1.05 0.00 0.00 58.31 57.64 1ds9 n LYS 135 Cb 0.30 -1.41 0.73 0.00 -0.65 0.00 0.00 35.03 34.00 1ds9 n LYS 135 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1ds9 h LEU 136 N -0.27 0.00 -3.69 -5.58 6.46 -0.39 -1.96 115.31 109.88 1ds9 h LEU 136 Ca -0.53 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.06 1ds9 h LEU 136 Cb 1.69 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.56 1ds9 h LEU 136 CO -0.17 0.00 -0.10 0.00 -0.62 0.00 0.00 178.44 177.55 1ds9 n ALA 137 N -2.02 5.50 -3.71 1.25 0.00 -0.39 -4.65 120.51 116.49 1ds9 n ALA 137 Ca 0.02 -1.36 -0.28 0.00 0.00 0.00 0.00 53.44 51.82 1ds9 n ALA 137 Cb 0.53 -1.78 0.01 0.00 0.00 0.00 0.00 19.45 18.21 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 1.80 -1.19 -0.15 0.00 0.00 -1.01 -4.76 120.51 115.20 1ds9 n ALA 138 Ca 0.28 0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 1ds9 n ALA 138 Cb 0.71 -3.88 -0.01 0.00 0.00 0.00 0.00 19.45 16.27 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 -1.65 0.74 -3.99 0.00 5.85 -1.60 -0.30 115.31 114.35 1ds9 h LEU 139 Ca -0.53 -0.29 -0.67 0.00 0.84 0.00 0.00 57.88 57.22 1ds9 h LEU 139 Cb 1.35 -0.20 -0.30 0.00 0.37 0.00 0.00 40.66 41.89 1ds9 h LEU 139 CO 0.64 0.85 0.81 0.47 -0.34 0.00 0.00 178.44 180.87 1ds9 n ASP 140 N -4.42 7.50 0.00 1.25 9.92 -1.26 -4.49 116.55 125.05 1ds9 n ASP 140 Ca -0.00 -3.78 0.00 0.00 -0.53 0.00 0.00 54.79 50.48 1ds9 n ASP 140 Cb 0.28 -0.95 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 1ds9 n ASP 140 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1ds9 n LYS 141 N -0.92 0.00 0.00 -1.24 2.85 -1.17 -4.71 118.16 112.97 1ds9 n LYS 141 Ca 0.62 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.88 1ds9 n LYS 141 Cb 0.70 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.08 1ds9 n LYS 141 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ds9 n LEU 142 N -1.52 0.00 0.00 -5.58 4.77 -0.13 0.54 117.00 115.08 1ds9 n LEU 142 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ds9 n LEU 142 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ds9 n LEU 142 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 1ds9 n GLU 143 N 0.00 0.00 -4.43 3.23 -0.58 -1.26 -0.63 120.64 116.97 1ds9 n GLU 143 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 1ds9 n GLU 143 Cb 0.00 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 30.71 1ds9 n GLU 143 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ds9 s ASP 144 N 0.02 1.45 -0.27 1.62 1.11 -0.50 -0.12 116.67 119.98 1ds9 s ASP 144 Ca 0.00 -0.23 -0.25 0.00 0.18 0.00 0.00 52.55 52.25 1ds9 s ASP 144 Cb 0.00 -0.67 0.08 0.00 1.07 0.00 0.00 42.92 43.40 1ds9 s ASP 144 CO 0.00 0.01 0.75 -0.22 1.18 0.00 0.00 175.17 176.89 1ds9 s LEU 145 N 0.72 -0.72 -0.21 1.23 0.20 -0.07 -1.30 118.68 118.53 1ds9 s LEU 145 Ca -0.13 1.38 0.00 0.00 0.69 0.00 0.00 54.13 56.07 1ds9 s LEU 145 Cb -0.15 2.41 0.02 0.00 -0.43 0.00 0.00 46.19 48.04 1ds9 s LEU 145 CO 0.02 -0.25 -0.15 -0.22 -0.29 0.00 0.00 176.35 175.47 1ds9 s LEU 146 N 0.33 2.55 -0.33 -0.68 2.96 -0.40 0.27 118.68 123.37 1ds9 s LEU 146 Ca 0.00 -0.73 0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1ds9 s LEU 146 Cb -0.05 -1.55 0.10 0.00 0.50 0.00 0.00 46.19 45.18 1ds9 s LEU 146 CO 0.01 -0.04 0.04 -0.76 -1.32 0.00 0.00 176.35 174.27 1ds9 s LEU 147 N 1.30 4.24 -0.38 -0.68 1.02 -1.24 0.74 118.68 123.68 1ds9 s LEU 147 Ca 0.03 -1.99 0.12 0.00 0.02 0.00 0.00 54.13 52.30 1ds9 s LEU 147 Cb -0.15 -1.50 0.36 0.00 0.02 0.00 0.00 46.19 44.92 1ds9 s LEU 147 CO -0.09 -0.36 0.77 0.00 0.02 0.00 0.00 176.35 176.68 1ds9 n ALA 148 N 4.36 2.36 0.00 4.21 0.00 -0.54 -4.92 120.51 125.98 1ds9 n ALA 148 Ca 0.01 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.98 1ds9 n ALA 148 Cb 0.42 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.20 -0.67 3.65 0.00 0.00 -1.10 -4.34 105.19 102.93 1ds9 n GLY 149 Ca 0.24 0.63 -0.02 0.00 0.00 0.00 0.00 46.02 46.87 1ds9 n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ds9 s ASN 150 N 0.00 -0.00 0.13 1.61 2.20 -1.25 0.74 114.94 118.36 1ds9 s ASN 150 Ca 0.00 0.00 -0.14 0.00 -0.94 0.00 0.00 52.86 51.78 1ds9 s ASN 150 Cb 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 41.25 39.23 1ds9 s ASN 150 CO 0.00 -0.01 1.55 1.55 -2.94 0.00 0.00 177.10 177.25 1ds9 h PRO 151 N 2.00 0.77 0.12 3.55 0.13 -1.77 0.37 132.00 137.16 1ds9 h PRO 151 Ca -0.03 -0.27 0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1ds9 h PRO 151 Cb 1.15 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 1ds9 h PRO 151 CO 0.19 0.88 -0.37 1.25 -0.23 0.00 0.00 178.00 179.72 1ds9 h LEU 152 N 0.59 -1.07 0.47 1.56 5.85 -1.44 0.74 115.31 122.01 1ds9 h LEU 152 Ca 0.11 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1ds9 h LEU 152 Cb 0.57 0.40 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1ds9 h LEU 152 CO 0.03 -0.45 -0.22 0.22 -0.34 0.00 0.00 178.44 177.68 1ds9 h TYR 153 N -0.60 -0.58 -0.38 1.25 3.20 -1.84 -1.16 116.97 116.85 1ds9 h TYR 153 Ca 0.03 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.99 1ds9 h TYR 153 Cb 0.63 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1ds9 h TYR 153 CO -0.32 -0.26 0.37 -0.91 -1.64 0.00 0.00 178.16 175.40 1ds9 h ASN 154 N -0.90 0.00 0.03 -2.11 4.21 -0.82 0.43 115.58 116.42 1ds9 h ASN 154 Ca -0.06 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.31 1ds9 h ASN 154 Cb 0.58 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.79 1ds9 h ASN 154 CO 0.10 0.00 -0.57 -0.78 -1.29 0.00 0.00 177.43 174.90 1ds9 h ASP 155 N 0.00 0.45 0.25 5.81 1.82 0.79 -3.33 116.42 122.20 1ds9 h ASP 155 Ca 0.18 -0.81 -0.00 0.00 -0.39 0.00 0.00 57.03 56.01 1ds9 h ASP 155 Cb 0.91 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 1ds9 h ASP 155 CO -0.00 1.21 -0.40 0.22 -1.61 0.00 0.00 179.24 178.66 1ds9 h TYR 156 N -0.26 -1.12 0.00 0.28 5.03 0.33 -3.46 116.97 117.77 1ds9 h TYR 156 Ca -0.08 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.25 1ds9 h TYR 156 Cb 1.32 0.46 0.00 0.00 1.55 0.00 0.00 36.73 40.06 1ds9 h TYR 156 CO 0.17 -0.49 0.00 1.17 -1.32 0.00 0.00 178.16 177.69 1ds9 n LYS 157 N -4.75 0.00 -0.22 1.82 3.00 -0.69 -4.74 118.16 112.59 1ds9 n LYS 157 Ca -0.08 0.00 0.30 0.00 -0.00 0.00 0.00 58.31 58.53 1ds9 n LYS 157 Cb 0.33 0.00 0.53 0.00 0.00 0.00 0.00 35.03 35.90 1ds9 n LYS 157 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1ds9 h GLU 158 N 0.00 0.00 -0.20 1.64 9.09 -1.70 -1.60 114.58 121.81 1ds9 h GLU 158 Ca 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.21 1ds9 h GLU 158 Cb 0.00 0.00 -0.36 0.00 -1.65 0.00 0.00 28.75 26.74 1ds9 h GLU 158 CO 0.00 0.00 -0.97 -1.71 0.05 0.00 0.00 179.01 176.38 1ds9 n ASN 159 N -3.41 0.94 0.00 3.06 5.15 -1.26 -4.76 115.26 114.99 1ds9 n ASN 159 Ca 0.23 -2.03 0.00 0.00 -0.60 0.00 0.00 54.58 52.18 1ds9 n ASN 159 Cb 1.43 -0.27 0.00 0.00 -0.53 0.00 0.00 39.78 40.41 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 -0.19 0.39 0.10 1.20 2.85 -0.61 -4.83 115.26 114.16 1ds9 n ASN 160 Ca 0.02 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.61 1ds9 n ASN 160 Cb 0.94 0.00 0.05 0.00 1.24 0.00 0.00 39.78 42.01 1ds9 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ds9 h ALA 161 N 0.00 0.55 -0.21 5.20 0.00 -1.82 -3.33 119.26 119.65 1ds9 h ALA 161 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ds9 h ALA 161 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ds9 h ALA 161 CO 0.00 0.00 0.12 1.15 0.00 0.00 0.00 179.25 180.52 1ds9 h THR 162 N 0.00 1.09 -0.47 0.00 2.02 -1.86 0.63 112.91 114.32 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 0.93 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1ds9 h THR 162 CO 0.00 0.09 0.17 0.28 0.37 0.00 0.00 175.52 176.43 1ds9 h SER 163 N 0.25 0.61 0.56 4.18 0.02 -1.90 -0.48 113.55 116.80 1ds9 h SER 163 Ca 0.08 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 1ds9 h SER 163 Cb 0.03 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1ds9 h SER 163 CO -0.01 0.57 -0.59 -0.33 -1.14 0.00 0.00 176.83 175.32 1ds9 h GLU 164 N 0.67 0.03 0.17 3.45 4.39 -1.45 -1.09 114.58 120.75 1ds9 h GLU 164 Ca 0.16 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1ds9 h GLU 164 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1ds9 h GLU 164 CO -0.01 0.62 -0.08 1.88 -1.16 0.00 0.00 179.01 180.25 1ds9 h TYR 165 N 0.02 -0.21 -0.03 4.33 0.05 0.18 0.46 116.97 121.78 1ds9 h TYR 165 Ca -0.01 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1ds9 h TYR 165 Cb 1.06 0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.86 1ds9 h TYR 165 CO 0.00 0.03 0.01 -0.09 -1.05 0.00 0.00 178.16 177.07 1ds9 h ARG 166 N -0.43 0.04 -0.04 4.88 1.12 -1.26 -0.35 114.38 118.35 1ds9 h ARG 166 Ca -0.02 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 1ds9 h ARG 166 Cb 0.33 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.28 1ds9 h ARG 166 CO 0.04 0.14 -0.03 0.82 -3.11 0.00 0.00 179.97 177.83 1ds9 h ILE 167 N -0.07 1.05 -0.19 1.20 2.04 -1.14 -0.31 117.51 120.09 1ds9 h ILE 167 Ca 0.01 -0.21 -0.17 0.00 1.00 0.00 0.00 64.86 65.50 1ds9 h ILE 167 Cb 0.12 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1ds9 h ILE 167 CO -0.00 0.06 -0.56 -0.08 0.00 0.00 0.00 178.15 177.57 1ds9 h GLU 168 N 0.05 0.58 0.50 2.37 4.57 0.55 -0.25 114.58 122.95 1ds9 h GLU 168 Ca 0.01 -0.37 -0.02 0.00 -1.18 0.00 0.00 59.36 57.80 1ds9 h GLU 168 Cb 0.09 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1ds9 h GLU 168 CO 0.00 0.99 -0.24 0.28 -1.18 0.00 0.00 179.01 178.86 1ds9 h VAL 169 N 0.44 0.46 -0.59 0.32 2.07 0.60 -1.05 116.25 118.50 1ds9 h VAL 169 Ca 0.01 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1ds9 h VAL 169 Cb 1.12 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1ds9 h VAL 169 CO 0.11 0.05 0.19 1.62 0.02 0.00 0.00 177.57 179.55 1ds9 h VAL 170 N -0.85 1.22 0.30 2.57 3.04 -1.31 0.93 116.25 122.15 1ds9 h VAL 170 Ca -0.07 -0.76 -0.01 0.00 -1.01 0.00 0.00 66.70 64.85 1ds9 h VAL 170 Cb 0.59 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 1ds9 h VAL 170 CO 0.11 0.29 -0.15 0.50 -1.01 0.00 0.00 177.57 177.32 1ds9 h LYS 171 N 0.86 -0.39 -0.04 4.17 3.64 -0.92 -3.17 116.57 120.71 1ds9 h LYS 171 Ca 0.20 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1ds9 h LYS 171 Cb 0.24 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1ds9 h LYS 171 CO -0.01 -0.26 0.00 0.54 -2.27 0.00 0.00 179.45 177.45 1ds9 n ARG 172 N -3.20 1.29 -0.20 1.90 3.00 -0.41 -4.93 116.66 114.12 1ds9 n ARG 172 Ca -0.05 -0.43 -0.02 0.00 -0.01 0.00 0.00 57.85 57.34 1ds9 n ARG 172 Cb 0.16 -1.40 -0.02 0.00 0.00 0.00 0.00 32.46 31.20 1ds9 n ARG 172 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1ds9 n LEU 173 N -0.41 -0.26 0.00 0.55 -0.00 0.32 -4.77 117.00 112.43 1ds9 n LEU 173 Ca 0.18 -0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1ds9 n LEU 173 Cb 0.19 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1ds9 n LEU 173 CO 0.14 -0.23 0.00 -0.81 -0.00 0.00 0.00 177.39 176.49 1ds9 n PRO 174 N 0.77 0.00 -0.03 1.47 -0.04 -1.26 -4.92 135.00 130.98 1ds9 n PRO 174 Ca 0.06 0.11 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 1ds9 n PRO 174 Cb 0.04 -0.48 -0.03 0.00 -0.04 0.00 0.00 33.50 33.00 1ds9 n PRO 174 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ds9 n ASN 175 N -1.77 1.80 -4.38 3.54 3.02 -1.24 -5.04 115.26 111.19 1ds9 n ASN 175 Ca 0.00 0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 1ds9 n ASN 175 Cb 0.00 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1ds9 n ASN 175 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1ds9 n LEU 176 N -3.02 -1.30 0.00 3.41 0.00 0.19 -4.66 117.00 111.62 1ds9 n LEU 176 Ca -0.12 0.88 0.00 0.00 0.00 0.00 0.00 56.01 56.77 1ds9 n LEU 176 Cb 0.60 -1.01 0.00 0.00 0.00 0.00 0.00 43.42 43.01 1ds9 n LEU 176 CO 0.03 -3.46 -0.43 1.17 0.00 0.00 0.00 177.39 174.71 1ds9 n LYS 177 N 0.92 1.86 -3.32 1.96 3.00 0.83 -4.86 118.16 118.56 1ds9 n LYS 177 Ca 0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.32 1ds9 n LYS 177 Cb 0.39 -0.93 -0.06 0.00 0.00 0.00 0.00 35.03 34.43 1ds9 n LYS 177 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1ds9 s LYS 178 N -1.86 0.43 -0.60 1.64 2.47 -0.16 -4.98 119.74 116.68 1ds9 s LYS 178 Ca 0.00 0.00 -0.12 0.00 -1.56 0.00 0.00 55.97 54.29 1ds9 s LYS 178 Cb 0.00 -0.37 0.15 0.00 -1.46 0.00 0.00 37.83 36.15 1ds9 s LYS 178 CO 0.00 -1.05 0.52 -1.17 0.16 0.00 0.00 175.35 173.80 1ds9 s LEU 179 N 2.42 6.09 -0.40 5.43 2.96 -1.26 -0.89 118.68 133.03 1ds9 s LEU 179 Ca 0.10 -2.17 -0.15 0.00 -0.22 0.00 0.00 54.13 51.69 1ds9 s LEU 179 Cb -0.13 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.47 1ds9 s LEU 179 CO -0.28 -0.68 0.56 -0.67 -1.32 0.00 0.00 176.35 173.95 1ds9 n ASP 180 N 4.63 -7.63 -0.24 3.68 2.03 0.14 -4.37 116.55 114.79 1ds9 n ASP 180 Ca -0.03 0.52 0.01 0.00 0.52 0.00 0.00 54.79 55.82 1ds9 n ASP 180 Cb 0.42 -5.16 0.04 0.00 -0.72 0.00 0.00 41.12 35.70 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 -0.30 -0.20 0.20 0.27 0.00 -1.26 -4.27 105.19 99.63 1ds9 n GLY 181 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 0.45 0.18 -0.03 1.61 2.86 -1.93 -0.99 114.93 117.07 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 0.21 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1ds9 h MET 182 CO 0.01 0.12 0.00 -0.35 1.06 0.00 0.00 176.91 177.75 1ds9 n PRO 183 N -5.16 1.06 0.00 -0.22 -0.04 -1.26 -4.47 135.00 124.92 1ds9 n PRO 183 Ca 0.06 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1ds9 n PRO 183 Cb 0.26 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1ds9 n PRO 183 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ds9 n VAL 184 N -0.44 0.00 -3.90 0.52 0.31 -0.38 -4.73 118.33 109.71 1ds9 n VAL 184 Ca 0.02 0.94 -0.29 0.00 -0.01 0.00 0.00 64.34 65.00 1ds9 n VAL 184 Cb 0.03 -1.93 0.02 0.00 -0.91 0.00 0.00 33.84 31.04 1ds9 n VAL 184 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ds9 n ASP 185 N -0.45 -3.67 -2.19 4.52 -0.08 -1.26 -0.97 116.55 112.44 1ds9 n ASP 185 Ca 0.00 -0.82 -0.07 0.00 -1.51 0.00 0.00 54.79 52.39 1ds9 n ASP 185 Cb 0.00 -3.79 -0.01 0.00 2.34 0.00 0.00 41.12 39.66 1ds9 n ASP 185 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1ds9 n VAL 186 N -4.56 -0.26 0.14 5.18 3.14 -1.26 -4.75 118.33 115.97 1ds9 n VAL 186 Ca -0.05 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.44 1ds9 n VAL 186 Cb 0.56 -0.91 -0.10 0.00 -1.06 0.00 0.00 33.84 32.34 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 -1.26 0.36 0.18 6.55 -0.08 -0.15 -4.11 116.55 118.05 1ds9 n ASP 187 Ca -0.08 0.01 0.18 0.00 -1.51 0.00 0.00 54.79 53.40 1ds9 n ASP 187 Cb 0.49 1.38 0.80 0.00 2.34 0.00 0.00 41.12 46.13 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 -1.86 0.96 114.58 117.82 1ds9 h GLU 188 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ds9 h GLU 188 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1ds9 h GLU 188 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 179.01 176.15 1ds9 n ARG 189 N -3.62 1.20 0.08 1.92 3.00 -1.26 -2.92 116.66 115.06 1ds9 n ARG 189 Ca 0.03 -0.29 0.00 0.00 -0.00 0.00 0.00 57.85 57.59 1ds9 n ARG 189 Cb 0.45 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.43 1ds9 n ARG 189 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ds9 n GLU 190 N -0.64 0.00 0.02 -0.14 -0.58 0.31 -4.39 120.64 115.22 1ds9 n GLU 190 Ca 0.22 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.83 1ds9 n GLU 190 Cb 0.18 -0.36 -0.09 0.00 -0.57 0.00 0.00 31.44 30.60 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 -0.05 0.00 3.49 4.15 -0.98 -1.10 115.11 120.62 1ds9 h GLN 191 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ds9 h GLN 191 Cb 0.02 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1ds9 h GLN 191 CO 0.00 0.27 0.00 0.00 -1.93 0.00 0.00 178.83 177.17 1ds9 h ALA 192 N 0.58 1.00 -0.03 3.38 0.00 -1.65 -0.54 119.26 122.00 1ds9 h ALA 192 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1ds9 h ALA 192 Cb 0.34 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ds9 h ALA 192 CO 0.01 0.00 -0.71 -0.97 0.00 0.00 0.00 179.25 177.58 1ds9 h ASN 193 N 0.00 0.68 0.33 0.00 -0.73 -1.36 0.60 115.58 115.11 1ds9 h ASN 193 Ca 0.00 -0.72 -0.14 0.00 1.87 0.00 0.00 56.30 57.31 1ds9 h ASN 193 Cb 0.54 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 1ds9 h ASN 193 CO 0.00 1.30 -0.59 0.58 -0.37 0.00 0.00 177.43 178.36 1ds9 h VAL 194 N 0.11 1.38 0.01 2.57 2.07 -0.98 -1.42 116.25 119.99 1ds9 h VAL 194 Ca -0.08 -1.94 -0.19 0.00 0.82 0.00 0.00 66.70 65.31 1ds9 h VAL 194 Cb 1.38 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1ds9 h VAL 194 CO 0.14 0.57 -0.91 0.00 0.02 0.00 0.00 177.57 177.39 1ds9 h ALA 195 N 1.19 0.50 -0.14 1.67 0.00 -1.04 -2.60 119.26 118.84 1ds9 h ALA 195 Ca -0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 54.91 53.97 1ds9 h ALA 195 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ds9 h ALA 195 CO 0.09 1.10 -0.38 0.00 0.00 0.00 0.00 179.25 180.06 1ds9 h ARG 196 N 0.01 0.50 -0.20 0.00 3.08 0.43 -3.12 114.38 115.08 1ds9 h ARG 196 Ca -0.02 -0.35 -0.07 0.00 0.07 0.00 0.00 59.98 59.61 1ds9 h ARG 196 Cb 1.60 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.69 1ds9 h ARG 196 CO 0.12 0.97 -0.18 0.78 -1.07 0.00 0.00 179.97 180.60 1ds9 h GLY 197 N 0.11 0.38 0.00 0.04 0.00 -1.31 -3.51 103.07 98.77 1ds9 h GLY 197 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1ds9 h GLY 197 CO 0.08 0.24 0.00 0.61 0.00 0.00 0.00 176.54 177.47