#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ds9 n ALA 2 N 0.00 0.00 -3.14 3.04 0.00 -1.26 -3.16 120.51 115.99 1ds9 n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ds9 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ds9 n ALA 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ds9 n LYS 3 N 0.00 0.19 -2.93 0.00 3.00 -1.26 -4.70 118.16 112.45 1ds9 n LYS 3 Ca 0.00 -0.37 -0.02 0.00 -0.00 0.00 0.00 58.31 57.92 1ds9 n LYS 3 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 35.03 35.50 1ds9 n LYS 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ds9 s ALA 4 N -1.19 -2.33 0.00 3.14 0.00 -1.26 -4.64 121.76 115.48 1ds9 s ALA 4 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1ds9 s ALA 4 Cb -0.01 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1ds9 s ALA 4 CO 0.02 -2.25 0.00 0.25 0.00 0.00 0.00 175.76 173.78 1ds9 n THR 5 N 3.52 0.00 -3.06 0.00 -2.24 -1.22 -4.29 114.28 106.98 1ds9 n THR 5 Ca 0.15 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.73 1ds9 n THR 5 Cb 0.57 -0.03 0.05 0.00 -2.10 0.00 0.00 70.33 68.82 1ds9 n THR 5 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ds9 s THR 6 N 0.00 2.29 -0.02 4.28 2.01 -1.26 -2.73 115.64 120.21 1ds9 s THR 6 Ca 0.00 -1.02 -0.22 0.00 0.31 0.00 0.00 61.69 60.76 1ds9 s THR 6 Cb 0.00 -2.31 -0.22 0.00 0.01 0.00 0.00 72.50 69.98 1ds9 s THR 6 CO 0.00 0.00 1.10 -0.29 -0.69 0.00 0.00 174.62 174.74 1ds9 h ILE 7 N 0.29 1.47 -0.62 1.82 2.10 -1.90 0.40 117.51 121.07 1ds9 h ILE 7 Ca -0.32 -1.91 -0.10 0.00 1.08 0.00 0.00 64.86 63.62 1ds9 h ILE 7 Cb 1.29 2.57 -0.02 0.00 -1.09 0.00 0.00 36.82 39.56 1ds9 h ILE 7 CO 0.42 0.54 0.00 0.11 -1.08 0.00 0.00 178.15 178.15 1ds9 h LYS 8 N -0.27 1.08 -0.01 2.19 1.57 -1.96 -1.48 116.57 117.69 1ds9 h LYS 8 Ca -0.04 -0.34 -0.23 0.00 -1.87 0.00 0.00 60.65 58.17 1ds9 h LYS 8 Cb 1.08 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.30 1ds9 h LYS 8 CO 0.07 1.05 -0.94 -0.44 -0.57 0.00 0.00 179.45 178.63 1ds9 h ASP 9 N 0.99 0.62 0.27 0.86 3.32 -1.96 -0.37 116.42 120.14 1ds9 h ASP 9 Ca 0.17 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1ds9 h ASP 9 Cb 0.56 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1ds9 h ASP 9 CO 0.03 1.28 -0.13 0.00 -1.72 0.00 0.00 179.24 178.70 1ds9 h ALA 10 N 0.68 -0.37 -0.32 3.45 0.00 -0.01 0.54 119.26 123.24 1ds9 h ALA 10 Ca -0.08 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1ds9 h ALA 10 Cb 1.57 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1ds9 h ALA 10 CO 0.17 -0.65 -0.30 0.82 0.00 0.00 0.00 179.25 179.29 1ds9 h ILE 11 N -0.48 1.29 -0.32 0.00 2.04 -1.35 -0.02 117.51 118.67 1ds9 h ILE 11 Ca -0.04 -1.46 -0.02 0.00 1.00 0.00 0.00 64.86 64.34 1ds9 h ILE 11 Cb 0.36 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1ds9 h ILE 11 CO 0.06 0.48 0.12 -0.09 0.00 0.00 0.00 178.15 178.71 1ds9 h ARG 12 N 0.54 0.44 -0.07 2.37 2.43 -0.98 0.24 114.38 119.35 1ds9 h ARG 12 Ca 0.05 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1ds9 h ARG 12 Cb 0.87 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1ds9 h ARG 12 CO 0.08 0.38 -0.36 0.82 -1.51 0.00 0.00 179.97 179.38 1ds9 h ILE 13 N 0.44 1.41 0.00 1.20 2.04 0.38 0.33 117.51 123.32 1ds9 h ILE 13 Ca 0.11 -1.75 -0.02 0.00 1.00 0.00 0.00 64.86 64.20 1ds9 h ILE 13 Cb 0.11 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1ds9 h ILE 13 CO -0.01 0.51 -0.08 -0.26 0.00 0.00 0.00 178.15 178.31 1ds9 h PHE 14 N -0.10 0.00 0.01 1.37 0.04 -0.45 1.00 116.94 118.82 1ds9 h PHE 14 Ca -0.02 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.46 1ds9 h PHE 14 Cb 1.01 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.12 1ds9 h PHE 14 CO 0.13 0.08 -1.65 1.49 -0.60 0.00 0.00 178.31 177.76 1ds9 h GLU 15 N 0.00 0.03 0.00 1.51 4.81 -0.43 0.87 114.58 121.37 1ds9 h GLU 15 Ca -0.00 -0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 58.92 1ds9 h GLU 15 Cb 0.53 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 1ds9 h GLU 15 CO 0.01 0.62 -1.91 0.39 -0.73 0.00 0.00 179.01 177.39 1ds9 n GLU 16 N -3.12 0.65 -0.02 1.92 -0.58 0.10 -3.33 120.64 116.25 1ds9 n GLU 16 Ca -0.16 0.12 -0.02 0.00 -0.42 0.00 0.00 57.16 56.68 1ds9 n GLU 16 Cb 1.04 -1.67 -0.01 0.00 -0.57 0.00 0.00 31.44 30.23 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 -2.82 0.11 0.22 3.49 1.74 0.35 -4.56 116.66 115.17 1ds9 n ARG 17 Ca -0.20 0.16 0.14 0.00 -0.77 0.00 0.00 57.85 57.18 1ds9 n ARG 17 Cb 0.99 -0.81 0.36 0.00 -1.02 0.00 0.00 32.46 31.98 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 -0.21 0.00 -5.36 5.56 1.79 -1.46 -3.48 116.57 113.41 1ds9 h LYS 18 Ca 0.00 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.22 1ds9 h LYS 18 Cb 0.17 0.00 0.19 0.00 -1.58 0.00 0.00 32.23 31.01 1ds9 h LYS 18 CO 0.00 0.00 -0.82 0.43 -1.08 0.00 0.00 179.45 177.98 1ds9 n SER 19 N -2.96 -6.05 -2.29 0.86 7.64 0.29 -4.93 113.62 106.18 1ds9 n SER 19 Ca 0.03 -0.67 -0.04 0.00 1.01 0.00 0.00 58.87 59.20 1ds9 n SER 19 Cb 0.44 -5.01 -0.01 0.00 -1.01 0.00 0.00 64.21 58.62 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 -3.23 0.00 -3.78 0.44 0.24 -0.18 -4.95 118.33 106.86 1ds9 n VAL 20 Ca -0.09 -0.28 -0.30 0.00 -2.04 0.00 0.00 64.34 61.63 1ds9 n VAL 20 Cb 0.62 0.06 -0.14 0.00 -1.47 0.00 0.00 33.84 32.91 1ds9 n VAL 20 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1ds9 s VAL 21 N -1.24 1.57 -0.05 3.34 1.01 -1.26 -4.53 120.40 119.24 1ds9 s VAL 21 Ca 0.00 -2.43 -0.05 0.00 0.00 0.00 0.00 61.98 59.51 1ds9 s VAL 21 Cb 0.00 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1ds9 s VAL 21 CO 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 175.10 174.20 1ds9 n ALA 22 N 3.80 0.28 -4.43 5.51 0.00 -1.26 -4.40 120.51 120.00 1ds9 n ALA 22 Ca 0.06 -0.40 -0.39 0.00 0.00 0.00 0.00 53.44 52.71 1ds9 n ALA 22 Cb 0.36 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 1ds9 n ALA 22 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ds9 n THR 23 N -3.02 -0.26 -3.60 0.00 5.66 -1.26 0.48 114.28 112.28 1ds9 n THR 23 Ca -0.04 -0.13 -0.22 0.00 -3.05 0.00 0.00 64.05 60.61 1ds9 n THR 23 Cb 0.14 -0.62 0.07 0.00 -1.55 0.00 0.00 70.33 68.36 1ds9 n THR 23 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ds9 n GLU 24 N -4.13 -6.69 -3.70 1.09 2.13 -1.26 -4.97 120.64 103.10 1ds9 n GLU 24 Ca -0.00 0.77 -0.33 0.00 0.66 0.00 0.00 57.16 58.26 1ds9 n GLU 24 Cb 0.51 -5.72 -0.05 0.00 0.27 0.00 0.00 31.44 26.45 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 -3.39 3.82 0.60 4.31 0.00 0.18 -4.67 121.76 122.61 1ds9 s ALA 25 Ca 0.30 -0.56 0.36 0.00 0.00 0.00 0.00 51.96 52.05 1ds9 s ALA 25 Cb -0.14 -2.11 2.04 0.00 0.00 0.00 0.00 23.12 22.92 1ds9 s ALA 25 CO 0.76 0.66 2.29 0.93 0.00 0.00 0.00 175.76 180.40 1ds9 h GLU 26 N 3.31 0.00 -4.08 0.00 5.08 -1.60 -3.37 114.58 113.91 1ds9 h GLU 26 Ca -0.47 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.29 1ds9 h GLU 26 Cb 1.18 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.04 1ds9 h GLU 26 CO 0.70 0.01 -0.77 0.21 -1.00 0.00 0.00 179.01 178.16 1ds9 s LYS 27 N -4.38 1.25 -0.12 2.33 2.20 -1.26 -0.15 119.74 119.61 1ds9 s LYS 27 Ca -0.05 -1.02 -0.03 0.00 -0.36 0.00 0.00 55.97 54.51 1ds9 s LYS 27 Cb 0.14 -2.45 -0.03 0.00 -1.51 0.00 0.00 37.83 33.98 1ds9 s LYS 27 CO 0.49 -0.73 -0.00 0.08 -0.36 0.00 0.00 175.35 174.83 1ds9 s VAL 28 N 1.46 4.24 -0.76 4.02 1.01 -0.52 -4.89 120.40 124.95 1ds9 s VAL 28 Ca 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 1ds9 s VAL 28 Cb -0.18 -2.82 0.19 0.00 0.00 0.00 0.00 36.38 33.57 1ds9 s VAL 28 CO -0.11 0.55 0.63 -0.70 0.00 0.00 0.00 175.10 175.47 1ds9 s GLU 29 N -0.35 3.03 0.28 2.72 -6.30 -1.26 -1.08 118.70 115.74 1ds9 s GLU 29 Ca 0.07 -2.79 -0.03 0.00 -2.50 0.00 0.00 54.97 49.72 1ds9 s GLU 29 Cb -0.12 -3.95 -0.05 0.00 0.00 0.00 0.00 34.13 30.01 1ds9 s GLU 29 CO 0.02 -1.22 0.51 -0.51 0.02 0.00 0.00 175.26 174.08 1ds9 s LEU 30 N -0.50 4.09 -0.00 2.70 2.01 1.00 -4.64 118.68 123.34 1ds9 s LEU 30 Ca 0.21 0.59 0.00 0.00 0.01 0.00 0.00 54.13 54.94 1ds9 s LEU 30 Cb -0.14 -3.40 -0.00 0.00 0.01 0.00 0.00 46.19 42.65 1ds9 s LEU 30 CO -0.07 -0.18 0.00 1.57 1.01 0.00 0.00 176.35 178.68 1ds9 n HIS 31 N -1.03 0.00 -3.83 0.29 -0.00 -1.26 -3.00 115.22 106.38 1ds9 n HIS 31 Ca -0.03 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.03 1ds9 n HIS 31 Cb 0.54 -0.01 -0.09 0.00 -0.12 0.00 0.00 29.99 30.31 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 -2.91 -0.02 0.10 1.57 0.00 -1.26 -0.78 107.32 104.01 1ds9 s GLY 32 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.69 1ds9 s GLY 32 CO 0.01 -0.21 0.04 -0.13 0.00 0.00 0.00 173.10 172.81 1ds9 n MET 33 N 1.16 0.69 -4.68 2.90 1.56 -0.38 -4.65 117.12 113.73 1ds9 n MET 33 Ca -0.21 -0.87 -0.33 0.00 -0.27 0.00 0.00 57.70 56.02 1ds9 n MET 33 Cb 0.57 0.52 -0.12 0.00 2.15 0.00 0.00 33.22 36.34 1ds9 n MET 33 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 1ds9 s ILE 34 N -2.01 3.35 0.48 1.12 -4.36 -1.26 -4.57 121.20 113.94 1ds9 s ILE 34 Ca 0.06 -0.73 0.13 0.00 -0.26 0.00 0.00 60.65 59.86 1ds9 s ILE 34 Cb 0.00 -2.38 0.25 0.00 1.25 0.00 0.00 42.46 41.58 1ds9 s ILE 34 CO 0.04 0.51 2.09 1.55 0.24 0.00 0.00 174.94 179.38 1ds9 h PRO 35 N 5.01 0.14 -0.37 0.37 0.13 -1.95 -2.09 132.00 133.24 1ds9 h PRO 35 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ds9 h PRO 35 Cb 1.16 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ds9 h PRO 35 CO 0.51 0.13 0.00 -0.35 -0.23 0.00 0.00 178.00 178.06 1ds9 n PRO 36 N -4.48 1.66 -1.63 1.56 -0.04 -1.26 0.31 135.00 131.12 1ds9 n PRO 36 Ca -0.01 -0.83 -0.47 0.00 -0.04 0.00 0.00 63.50 62.15 1ds9 n PRO 36 Cb 0.11 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.16 0.85 0.05 0.52 0.00 -0.78 -4.66 119.36 115.49 1ds9 n ILE 37 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 62.75 62.61 1ds9 n ILE 37 Cb 0.27 -1.19 0.00 0.00 0.00 0.00 0.00 39.64 38.71 1ds9 n ILE 37 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1ds9 n GLU 38 N 2.00 0.00 -2.57 9.51 2.13 -1.24 -1.66 120.64 128.81 1ds9 n GLU 38 Ca 0.13 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.54 1ds9 n GLU 38 Cb 0.28 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.96 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 -1.21 3.43 -1.04 5.31 1.02 -1.26 0.11 119.74 126.10 1ds9 s LYS 39 Ca 0.00 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.17 1ds9 s LYS 39 Cb 0.00 -4.88 0.32 0.00 -0.52 0.00 0.00 37.83 32.75 1ds9 s LYS 39 CO 0.00 -2.17 1.75 -1.33 -0.92 0.00 0.00 175.35 172.68 1ds9 n MET 40 N 8.98 5.22 0.03 1.68 2.81 -1.26 -3.46 117.12 131.12 1ds9 n MET 40 Ca 0.21 -4.64 0.21 0.00 -1.81 0.00 0.00 57.70 51.67 1ds9 n MET 40 Cb 0.50 -2.48 0.73 0.00 -0.71 0.00 0.00 33.22 31.26 1ds9 n MET 40 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1ds9 h ASP 41 N 4.50 0.00 0.30 7.83 1.82 -1.79 -1.04 116.42 128.03 1ds9 h ASP 41 Ca 0.46 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.08 1ds9 h ASP 41 Cb 0.39 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.40 1ds9 h ASP 41 CO 1.22 0.00 -0.17 0.00 -1.61 0.00 0.00 179.24 178.67 1ds9 h ALA 42 N 1.59 -1.05 -0.25 -0.78 0.00 -1.77 -1.02 119.26 115.97 1ds9 h ALA 42 Ca 0.24 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1ds9 h ALA 42 Cb 1.13 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1ds9 h ALA 42 CO -0.00 -1.03 0.20 0.00 0.00 0.00 0.00 179.25 178.42 1ds9 h THR 43 N -0.44 0.74 -0.64 0.00 1.03 -1.77 0.44 112.91 112.27 1ds9 h THR 43 Ca -0.04 0.00 0.05 0.00 -0.01 0.00 0.00 66.41 66.41 1ds9 h THR 43 Cb 0.35 0.85 -0.05 0.00 -1.07 0.00 0.00 68.15 68.23 1ds9 h THR 43 CO 0.05 0.00 0.35 0.25 -0.01 0.00 0.00 175.52 176.16 1ds9 h LEU 44 N 0.00 0.53 0.02 0.00 5.85 -0.56 0.60 115.31 121.75 1ds9 h LEU 44 Ca 0.12 0.03 -0.23 0.00 0.84 0.00 0.00 57.88 58.64 1ds9 h LEU 44 Cb 0.53 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1ds9 h LEU 44 CO -0.00 0.35 -1.24 0.28 -0.34 0.00 0.00 178.44 177.49 1ds9 h SER 45 N 0.66 0.08 -0.17 1.25 0.02 0.26 -3.33 113.55 112.32 1ds9 h SER 45 Ca 0.28 -0.63 0.05 0.00 -0.84 0.00 0.00 61.79 60.65 1ds9 h SER 45 Cb 0.17 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1ds9 h SER 45 CO -0.17 1.50 0.42 0.71 -1.14 0.00 0.00 176.83 178.14 1ds9 h THR 46 N -0.82 0.13 -0.92 -2.27 1.35 -0.20 -1.88 112.91 108.30 1ds9 h THR 46 Ca -0.32 0.00 0.26 0.00 -0.55 0.00 0.00 66.41 65.80 1ds9 h THR 46 Cb 1.40 0.62 -0.15 0.00 -1.73 0.00 0.00 68.15 68.29 1ds9 h THR 46 CO -0.14 0.00 0.28 0.25 -0.25 0.00 0.00 175.52 175.66 1ds9 h LEU 47 N 0.00 0.03 -0.72 3.87 6.46 -0.99 1.21 115.31 125.18 1ds9 h LEU 47 Ca 0.08 0.21 0.03 0.00 -0.12 0.00 0.00 57.88 58.08 1ds9 h LEU 47 Cb 0.91 0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 41.07 1ds9 h LEU 47 CO -0.00 -0.20 0.45 0.11 -0.62 0.00 0.00 178.44 178.18 1ds9 h LYS 48 N 0.19 0.85 -0.94 1.25 1.79 -1.60 -1.29 116.57 116.81 1ds9 h LYS 48 Ca 0.60 -0.05 -0.62 0.00 -2.18 0.00 0.00 60.65 58.40 1ds9 h LYS 48 Cb 1.28 -0.19 -0.30 0.00 -1.58 0.00 0.00 32.23 31.44 1ds9 h LYS 48 CO -0.69 0.56 0.60 0.00 -1.08 0.00 0.00 179.45 178.84 1ds9 n ALA 49 N -2.32 5.99 -2.45 3.86 0.00 0.35 -4.97 120.51 120.97 1ds9 n ALA 49 Ca 0.08 -3.41 -0.30 0.00 0.00 0.00 0.00 53.44 49.80 1ds9 n ALA 49 Cb 0.09 -1.51 -0.13 0.00 0.00 0.00 0.00 19.45 17.91 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 1.44 0.00 -4.37 0.00 4.81 -0.83 -4.83 118.16 114.38 1ds9 n LYS 51 Ca -0.16 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.01 1ds9 n LYS 51 Cb 0.52 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.41 1ds9 n LYS 51 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1ds9 s HIS 52 N -1.80 1.63 -0.08 5.64 2.46 0.79 -1.57 115.29 122.36 1ds9 s HIS 52 Ca 0.00 -0.72 0.03 0.00 0.47 0.00 0.00 55.06 54.84 1ds9 s HIS 52 Cb 0.00 -1.22 0.01 0.00 -0.13 0.00 0.00 32.58 31.23 1ds9 s HIS 52 CO 0.00 -0.40 -0.17 -1.17 -2.47 0.00 0.00 174.74 170.53 1ds9 s LEU 53 N 1.03 1.82 -0.07 8.88 0.20 -0.49 -1.45 118.68 128.59 1ds9 s LEU 53 Ca -0.07 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.36 1ds9 s LEU 53 Cb -0.15 -1.06 -0.02 0.00 -0.43 0.00 0.00 46.19 44.52 1ds9 s LEU 53 CO -0.01 0.08 -0.12 0.00 -0.29 0.00 0.00 176.35 176.01 1ds9 s ALA 54 N 0.57 2.75 -0.03 5.97 0.00 -0.24 0.15 121.76 130.93 1ds9 s ALA 54 Ca -0.16 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.74 1ds9 s ALA 54 Cb -0.17 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.88 1ds9 s ALA 54 CO 0.05 0.49 0.28 -0.51 0.00 0.00 0.00 175.76 176.08 1ds9 s LEU 55 N -0.52 0.95 -0.01 0.00 1.43 0.70 -0.00 118.68 121.22 1ds9 s LEU 55 Ca 0.07 0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1ds9 s LEU 55 Cb -0.12 1.15 -0.01 0.00 0.03 0.00 0.00 46.19 47.25 1ds9 s LEU 55 CO 0.02 -0.38 -0.04 -1.20 0.23 0.00 0.00 176.35 174.98 1ds9 n SER 56 N 1.56 0.28 -4.17 2.29 7.64 -0.56 -2.60 113.62 118.06 1ds9 n SER 56 Ca -0.20 0.04 -0.35 0.00 1.01 0.00 0.00 58.87 59.37 1ds9 n SER 56 Cb 0.56 -0.34 -0.13 0.00 -1.01 0.00 0.00 64.21 63.29 1ds9 n SER 56 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ds9 s THR 57 N -1.27 3.02 -0.06 0.44 -1.32 0.04 0.64 115.64 117.12 1ds9 s THR 57 Ca -0.03 -1.46 -0.02 0.00 -1.21 0.00 0.00 61.69 58.97 1ds9 s THR 57 Cb 0.00 -2.78 0.04 0.00 -1.51 0.00 0.00 72.50 68.25 1ds9 s THR 57 CO 0.04 -0.17 0.12 0.54 -2.21 0.00 0.00 174.62 172.94 1ds9 s ASN 58 N 1.30 -0.07 -0.12 8.08 4.22 -0.27 -1.24 114.94 126.84 1ds9 s ASN 58 Ca -0.04 0.24 -0.04 0.00 -2.14 0.00 0.00 52.86 50.89 1ds9 s ASN 58 Cb -0.20 0.13 -0.03 0.00 1.28 0.00 0.00 41.25 42.43 1ds9 s ASN 58 CO -0.01 -0.14 0.02 0.20 -2.04 0.00 0.00 177.10 175.13 1ds9 s ASN 59 N 1.14 5.37 -0.31 3.54 0.01 -1.26 -1.50 114.94 121.93 1ds9 s ASN 59 Ca -0.09 0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.20 1ds9 s ASN 59 Cb -0.12 -1.68 0.08 0.00 0.41 0.00 0.00 41.25 39.94 1ds9 s ASN 59 CO -0.05 0.31 -0.00 -0.63 -1.51 0.00 0.00 177.10 175.22 1ds9 s ILE 60 N -0.45 2.50 -0.01 0.60 1.01 -0.42 -3.33 121.20 121.09 1ds9 s ILE 60 Ca 0.09 -1.87 -0.19 0.00 0.00 0.00 0.00 60.65 58.68 1ds9 s ILE 60 Cb -0.12 -2.61 -0.33 0.00 0.01 0.00 0.00 42.46 39.41 1ds9 s ILE 60 CO 0.02 -0.30 0.95 -0.33 0.00 0.00 0.00 174.94 175.28 1ds9 h GLU 61 N 7.80 0.41 0.00 2.79 4.39 -0.24 -3.37 114.58 126.36 1ds9 h GLU 61 Ca -0.14 -0.68 -0.19 0.00 0.34 0.00 0.00 59.36 58.69 1ds9 h GLU 61 Cb 1.04 0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.90 1ds9 h GLU 61 CO 0.52 1.32 -0.04 1.63 -1.16 0.00 0.00 179.01 181.28 1ds9 n LYS 62 N -3.96 0.70 -3.29 2.33 5.02 -0.67 -4.76 118.16 113.54 1ds9 n LYS 62 Ca -0.15 -2.30 0.03 0.00 -2.02 0.00 0.00 58.31 53.87 1ds9 n LYS 62 Cb 0.93 2.35 -0.02 0.00 -0.02 0.00 0.00 35.03 38.27 1ds9 n LYS 62 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1ds9 s ILE 63 N -2.64 -0.99 -0.13 -0.18 1.10 -1.26 -3.59 121.20 113.52 1ds9 s ILE 63 Ca 0.22 0.00 0.18 0.00 -0.51 0.00 0.00 60.65 60.54 1ds9 s ILE 63 Cb -0.02 -1.00 -0.23 0.00 0.15 0.00 0.00 42.46 41.37 1ds9 s ILE 63 CO 0.16 0.00 0.46 -0.24 -2.11 0.00 0.00 174.94 173.21 1ds9 n SER 64 N 5.43 0.37 -2.31 4.50 2.88 0.31 -4.25 113.62 120.55 1ds9 n SER 64 Ca -0.04 0.16 -0.28 0.00 -1.33 0.00 0.00 58.87 57.39 1ds9 n SER 64 Cb 0.50 0.82 0.03 0.00 -0.75 0.00 0.00 64.21 64.82 1ds9 n SER 64 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ds9 n SER 65 N -2.72 6.99 -0.00 -3.46 7.64 -1.23 -4.60 113.62 116.24 1ds9 n SER 65 Ca -0.18 -3.42 0.12 0.00 1.01 0.00 0.00 58.87 56.40 1ds9 n SER 65 Cb 0.92 -1.08 0.56 0.00 -1.01 0.00 0.00 64.21 63.60 1ds9 n SER 65 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1ds9 h LEU 66 N 2.77 0.24 -0.32 -3.43 8.10 -1.89 0.38 115.31 121.16 1ds9 h LEU 66 Ca 0.45 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 58.25 1ds9 h LEU 66 Cb 0.70 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.88 1ds9 h LEU 66 CO 1.13 0.15 -0.70 0.28 -4.11 0.00 0.00 178.44 175.19 1ds9 h SER 67 N 0.27 0.74 -0.47 0.17 0.02 -1.94 0.23 113.55 112.56 1ds9 h SER 67 Ca 0.22 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1ds9 h SER 67 Cb 0.50 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1ds9 h SER 67 CO -0.04 1.23 0.21 1.23 -1.14 0.00 0.00 176.83 178.32 1ds9 h GLY 68 N 0.90 0.73 2.00 -3.77 0.00 -1.21 -2.44 103.07 99.28 1ds9 h GLY 68 Ca -0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 1ds9 h GLY 68 CO 0.14 0.35 -0.45 1.98 0.00 0.00 0.00 176.54 178.55 1ds9 h MET 69 N 0.61 0.00 -0.36 4.80 1.85 -1.23 -3.32 114.93 117.29 1ds9 h MET 69 Ca 0.16 0.00 0.08 0.00 -0.61 0.00 0.00 59.70 59.33 1ds9 h MET 69 Cb 0.14 0.00 -0.08 0.00 0.43 0.00 0.00 31.60 32.09 1ds9 h MET 69 CO -0.02 0.45 -0.17 1.49 -0.40 0.00 0.00 176.91 178.27 1ds9 h GLU 70 N 0.00 -0.10 -0.13 0.39 4.81 -0.04 -0.17 114.58 119.35 1ds9 h GLU 70 Ca -0.00 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1ds9 h GLU 70 Cb 1.26 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1ds9 h GLU 70 CO 0.06 -0.07 0.43 -0.91 -0.73 0.00 0.00 179.01 177.79 1ds9 h ASN 71 N -0.11 0.00 -1.91 1.04 -0.26 -1.65 -3.37 115.58 109.32 1ds9 h ASN 71 Ca 0.18 0.00 -0.65 0.00 -0.56 0.00 0.00 56.30 55.27 1ds9 h ASN 71 Cb 0.38 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 37.68 1ds9 h ASN 71 CO -0.43 0.00 0.83 0.18 -1.06 0.00 0.00 177.43 176.95 1ds9 n LEU 72 N -3.07 2.71 -0.10 1.61 4.77 -0.08 -4.79 117.00 118.06 1ds9 n LEU 72 Ca 0.01 1.06 -0.12 0.00 -0.03 0.00 0.00 56.01 56.93 1ds9 n LEU 72 Cb 0.51 -1.30 -0.12 0.00 -2.33 0.00 0.00 43.42 40.19 1ds9 n LEU 72 CO 0.16 -0.43 -1.14 0.54 -1.33 0.00 0.00 177.39 175.20 1ds9 n ARG 73 N 4.55 0.86 -4.07 3.23 1.74 -1.01 -3.83 116.66 118.13 1ds9 n ARG 73 Ca 0.21 0.06 -0.32 0.00 -0.77 0.00 0.00 57.85 57.03 1ds9 n ARG 73 Cb 0.23 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 30.08 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 -2.42 2.03 -0.33 0.55 1.01 -0.61 -1.44 121.20 119.99 1ds9 s ILE 74 Ca -0.20 -1.29 -0.04 0.00 0.00 0.00 0.00 60.65 59.13 1ds9 s ILE 74 Cb 0.06 -2.03 0.05 0.00 0.01 0.00 0.00 42.46 40.55 1ds9 s ILE 74 CO 0.59 0.19 0.06 -0.22 0.00 0.00 0.00 174.94 175.57 1ds9 s LEU 75 N 1.22 4.20 -1.08 2.97 0.20 -0.48 -1.40 118.68 124.30 1ds9 s LEU 75 Ca -0.03 -1.29 -0.16 0.00 0.69 0.00 0.00 54.13 53.34 1ds9 s LEU 75 Cb -0.17 -1.79 0.16 0.00 -0.43 0.00 0.00 46.19 43.96 1ds9 s LEU 75 CO -0.08 -0.32 1.29 -0.55 -0.29 0.00 0.00 176.35 176.40 1ds9 s SER 76 N 1.38 6.88 0.01 3.68 0.15 0.12 -1.00 113.70 124.92 1ds9 s SER 76 Ca -0.03 -2.59 0.02 0.00 0.70 0.00 0.00 55.95 54.05 1ds9 s SER 76 Cb -0.20 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1ds9 s SER 76 CO 0.00 -0.88 0.01 -0.22 1.20 0.00 0.00 173.24 173.36 1ds9 s LEU 77 N 2.00 3.56 0.00 3.45 0.20 0.20 -0.22 118.68 127.88 1ds9 s LEU 77 Ca 0.38 -0.00 0.00 0.00 0.69 0.00 0.00 54.13 55.20 1ds9 s LEU 77 Cb -0.04 -2.07 0.00 0.00 -0.43 0.00 0.00 46.19 43.65 1ds9 s LEU 77 CO -0.04 0.27 0.00 0.61 -0.29 0.00 0.00 176.35 176.90 1ds9 n GLY 78 N 1.29 0.00 2.85 7.98 0.00 -1.07 -2.83 105.19 113.40 1ds9 n GLY 78 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 1ds9 n GLY 78 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ds9 s ARG 79 N -1.60 0.20 0.00 1.61 3.00 0.21 0.76 118.95 123.13 1ds9 s ARG 79 Ca 0.00 0.41 -0.16 0.00 -1.00 0.00 0.00 55.73 54.99 1ds9 s ARG 79 Cb 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 34.95 34.23 1ds9 s ARG 79 CO 0.00 -0.54 0.33 0.54 0.00 0.00 0.00 175.30 175.63 1ds9 s ASN 80 N 2.38 -0.20 -0.27 -2.12 6.03 -0.49 -1.11 114.94 119.16 1ds9 s ASN 80 Ca 0.06 0.04 -0.02 0.00 -1.03 0.00 0.00 52.86 51.91 1ds9 s ASN 80 Cb -0.15 0.34 0.03 0.00 -3.03 0.00 0.00 41.25 38.45 1ds9 s ASN 80 CO -0.11 -0.51 -0.03 -0.76 -2.03 0.00 0.00 177.10 173.65 1ds9 s LEU 81 N -1.56 3.46 -0.08 3.54 2.01 -0.56 -1.77 118.68 123.72 1ds9 s LEU 81 Ca -0.11 -0.96 0.03 0.00 0.01 0.00 0.00 54.13 53.10 1ds9 s LEU 81 Cb -0.03 -1.70 -0.02 0.00 0.01 0.00 0.00 46.19 44.45 1ds9 s LEU 81 CO 0.02 -0.17 -0.18 -0.63 1.01 0.00 0.00 176.35 176.39 1ds9 s ILE 82 N 1.33 2.63 -0.08 -0.59 -1.09 -0.50 -1.31 121.20 121.60 1ds9 s ILE 82 Ca -0.01 -0.85 -0.08 0.00 -2.23 0.00 0.00 60.65 57.48 1ds9 s ILE 82 Cb -0.18 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1ds9 s ILE 82 CO -0.03 0.56 -0.17 1.17 -1.23 0.00 0.00 174.94 175.24 1ds9 n LYS 83 N 3.00 0.27 -3.10 2.79 4.81 -1.26 -4.30 118.16 120.38 1ds9 n LYS 83 Ca -0.18 0.11 -0.18 0.00 -0.87 0.00 0.00 58.31 57.20 1ds9 n LYS 83 Cb 0.52 -0.97 0.00 0.00 0.02 0.00 0.00 35.03 34.61 1ds9 n LYS 83 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1ds9 s LYS 84 N -2.37 2.82 -0.26 1.64 -0.14 -1.26 -4.46 119.74 115.71 1ds9 s LYS 84 Ca -0.16 -1.25 -0.08 0.00 -1.36 0.00 0.00 55.97 53.12 1ds9 s LYS 84 Cb 0.04 -2.73 -0.03 0.00 -1.68 0.00 0.00 37.83 33.44 1ds9 s LYS 84 CO 0.22 -0.24 0.10 -1.50 -0.76 0.00 0.00 175.35 173.17 1ds9 s ILE 85 N -2.35 4.48 0.00 2.17 -1.16 -1.26 -4.81 121.20 118.27 1ds9 s ILE 85 Ca 0.54 -0.17 0.00 0.00 -0.51 0.00 0.00 60.65 60.50 1ds9 s ILE 85 Cb -0.09 -3.14 0.00 0.00 0.61 0.00 0.00 42.46 39.84 1ds9 s ILE 85 CO 0.32 0.28 0.00 -0.62 -2.81 0.00 0.00 174.94 172.12 1ds9 n GLU 86 N 4.95 0.00 0.04 3.50 1.02 -1.26 -4.90 120.64 123.99 1ds9 n GLU 86 Ca -0.15 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.80 1ds9 n GLU 86 Cb 0.51 -0.04 -0.14 0.00 -0.02 0.00 0.00 31.44 31.75 1ds9 n GLU 86 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1ds9 h ASN 87 N 0.00 0.43 0.09 1.62 7.08 -1.88 -3.32 115.58 119.59 1ds9 h ASN 87 Ca 0.00 -0.71 -0.01 0.00 -3.08 0.00 0.00 56.30 52.50 1ds9 h ASN 87 Cb 0.00 -0.14 -0.00 0.00 -2.08 0.00 0.00 38.32 36.10 1ds9 h ASN 87 CO 0.00 1.61 -0.05 -0.07 -2.08 0.00 0.00 177.43 176.84 1ds9 h LEU 88 N 0.07 0.00 0.76 6.14 3.38 -1.91 -1.35 115.31 122.41 1ds9 h LEU 88 Ca -0.32 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1ds9 h LEU 88 Cb 2.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.80 1ds9 h LEU 88 CO 0.14 0.05 -0.37 -0.78 0.09 0.00 0.00 178.44 177.57 1ds9 h ASP 89 N 0.00 -0.87 -0.13 -0.43 1.82 -1.91 0.47 116.42 115.37 1ds9 h ASP 89 Ca -0.00 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1ds9 h ASP 89 Cb 0.11 0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1ds9 h ASP 89 CO 0.01 -0.50 0.08 0.00 -1.61 0.00 0.00 179.24 177.22 1ds9 h ALA 90 N -1.24 0.17 -0.70 -0.78 0.00 -1.66 0.46 119.26 115.51 1ds9 h ALA 90 Ca -0.10 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1ds9 h ALA 90 Cb 0.79 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1ds9 h ALA 90 CO 0.17 -0.32 0.42 0.28 0.00 0.00 0.00 179.25 179.80 1ds9 h VAL 91 N 0.15 1.02 0.00 0.00 2.07 -1.29 0.20 116.25 118.40 1ds9 h VAL 91 Ca 0.05 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1ds9 h VAL 91 Cb 0.03 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1ds9 h VAL 91 CO -0.01 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1ds9 h ALA 92 N 1.34 1.00 -0.02 1.67 0.00 0.47 0.46 119.26 124.18 1ds9 h ALA 92 Ca 0.30 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.97 1ds9 h ALA 92 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ds9 h ALA 92 CO -0.16 0.00 -0.97 -0.44 0.00 0.00 0.00 179.25 177.68 1ds9 h ASP 93 N 0.00 0.79 0.00 0.00 3.32 0.30 -3.42 116.42 117.41 1ds9 h ASP 93 Ca 0.00 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1ds9 h ASP 93 Cb 0.59 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1ds9 h ASP 93 CO 0.00 1.41 -0.78 1.07 -1.72 0.00 0.00 179.24 179.22 1ds9 n THR 94 N -3.83 0.00 -1.27 0.35 5.66 -0.69 -5.07 114.28 109.43 1ds9 n THR 94 Ca -0.09 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.55 1ds9 n THR 94 Cb 0.85 -0.58 0.08 0.00 -1.55 0.00 0.00 70.33 69.13 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 -1.99 1.79 0.00 1.09 0.00 0.16 -4.94 117.00 113.11 1ds9 n LEU 95 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 56.01 56.62 1ds9 n LEU 95 Cb 0.39 -1.29 0.00 0.00 0.00 0.00 0.00 43.42 42.52 1ds9 n LEU 95 CO 0.00 -2.73 -0.29 -0.62 0.00 0.00 0.00 177.39 173.75 1ds9 n GLU 96 N -1.22 0.40 -3.48 1.96 1.02 -1.17 -4.58 120.64 113.56 1ds9 n GLU 96 Ca 0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 1ds9 n GLU 96 Cb 0.50 -0.79 -0.08 0.00 -0.02 0.00 0.00 31.44 31.05 1ds9 n GLU 96 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ds9 s GLU 97 N -1.57 2.72 -0.35 3.49 2.02 -0.52 -1.51 118.70 122.97 1ds9 s GLU 97 Ca 0.00 -1.58 -0.02 0.00 0.02 0.00 0.00 54.97 53.40 1ds9 s GLU 97 Cb 0.00 -4.00 0.08 0.00 0.10 0.00 0.00 34.13 30.31 1ds9 s GLU 97 CO 0.00 -1.12 0.10 -0.51 0.02 0.00 0.00 175.26 173.75 1ds9 s LEU 98 N 1.49 4.61 -0.42 1.80 1.43 -0.58 -1.39 118.68 125.62 1ds9 s LEU 98 Ca 0.04 -1.72 -0.17 0.00 -1.03 0.00 0.00 54.13 51.25 1ds9 s LEU 98 Cb -0.26 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.23 1ds9 s LEU 98 CO 0.02 -0.40 0.40 0.26 0.23 0.00 0.00 176.35 176.87 1ds9 s TRP 99 N 1.16 3.19 -0.39 0.29 0.51 -0.17 -1.27 118.94 122.26 1ds9 s TRP 99 Ca 0.03 -0.42 0.02 0.00 -2.12 0.00 0.00 56.10 53.60 1ds9 s TRP 99 Cb -0.21 -2.82 0.15 0.00 -0.81 0.00 0.00 33.47 29.78 1ds9 s TRP 99 CO -0.03 -0.67 0.26 0.96 -0.51 0.00 0.00 176.95 176.96 1ds9 s ILE 100 N 2.03 0.43 0.01 2.03 -4.36 0.03 0.60 121.20 121.97 1ds9 s ILE 100 Ca 0.10 -2.16 -0.07 0.00 -0.26 0.00 0.00 60.65 58.26 1ds9 s ILE 100 Cb -0.17 -1.31 -0.04 0.00 1.25 0.00 0.00 42.46 42.19 1ds9 s ILE 100 CO 0.13 -1.05 1.03 0.28 0.24 0.00 0.00 174.94 175.57 1ds9 h SER 101 N 6.52 -0.20 -3.13 4.36 0.02 -1.53 -3.34 113.55 116.25 1ds9 h SER 101 Ca 0.12 0.01 -0.74 0.00 -0.84 0.00 0.00 61.79 60.34 1ds9 h SER 101 Cb 0.94 0.05 -0.22 0.00 0.14 0.00 0.00 62.40 63.31 1ds9 h SER 101 CO 0.33 -0.14 -0.16 -0.47 -1.14 0.00 0.00 176.83 175.25 1ds9 s TYR 102 N -3.40 3.18 -0.07 3.45 6.14 0.23 0.99 117.35 127.87 1ds9 s TYR 102 Ca -0.04 -1.06 -0.00 0.00 0.64 0.00 0.00 57.07 56.61 1ds9 s TYR 102 Cb 0.00 -3.64 0.02 0.00 0.42 0.00 0.00 41.96 38.77 1ds9 s TYR 102 CO 0.11 -1.01 -0.04 0.54 0.64 0.00 0.00 175.55 175.79 1ds9 s ASN 103 N 3.24 1.59 -0.33 4.32 4.22 -0.14 -1.40 114.94 126.44 1ds9 s ASN 103 Ca 0.06 -0.16 -0.14 0.00 -2.14 0.00 0.00 52.86 50.48 1ds9 s ASN 103 Cb -0.26 -0.56 -0.02 0.00 1.28 0.00 0.00 41.25 41.69 1ds9 s ASN 103 CO 0.05 -0.13 0.31 -1.10 -2.04 0.00 0.00 177.10 174.19 1ds9 s GLN 104 N 1.58 3.60 -0.05 3.55 -0.21 -0.73 0.37 119.66 127.77 1ds9 s GLN 104 Ca 0.00 -0.46 -0.05 0.00 0.02 0.00 0.00 55.36 54.87 1ds9 s GLN 104 Cb -0.13 -3.79 0.01 0.00 1.00 0.00 0.00 33.01 30.11 1ds9 s GLN 104 CO -0.04 -0.45 0.14 0.96 -2.12 0.00 0.00 175.29 173.78 1ds9 s ILE 105 N 1.90 -0.00 0.00 1.08 -4.36 -0.68 -1.41 121.20 117.73 1ds9 s ILE 105 Ca 0.10 0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 1ds9 s ILE 105 Cb -0.17 -0.21 0.00 0.00 1.25 0.00 0.00 42.46 43.33 1ds9 s ILE 105 CO 0.11 0.00 0.25 0.00 0.24 0.00 0.00 174.94 175.55 1ds9 n ALA 106 N 3.05 1.32 -2.65 2.27 0.00 -1.26 -4.10 120.51 119.14 1ds9 n ALA 106 Ca -0.13 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 1ds9 n ALA 106 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.03 7.16 0.31 0.00 0.01 -1.26 -4.92 113.70 114.98 1ds9 s SER 107 Ca 0.00 1.49 0.03 0.00 1.31 0.00 0.00 55.95 58.79 1ds9 s SER 107 Cb 0.00 -2.55 0.52 0.00 0.21 0.00 0.00 66.02 64.20 1ds9 s SER 107 CO 0.00 -0.56 1.82 0.17 0.41 0.00 0.00 173.24 175.08 1ds9 h LEU 108 N 8.70 0.53 -0.25 2.44 8.10 -1.98 -1.20 115.31 131.64 1ds9 h LEU 108 Ca -0.26 -0.12 -0.12 0.00 0.11 0.00 0.00 57.88 57.49 1ds9 h LEU 108 Cb 1.11 -0.14 -0.00 0.00 -0.44 0.00 0.00 40.66 41.19 1ds9 h LEU 108 CO 0.91 0.64 -0.32 -1.28 -4.11 0.00 0.00 178.44 174.28 1ds9 h SER 109 N 0.52 0.72 0.74 0.17 0.87 -1.97 -0.44 113.55 114.17 1ds9 h SER 109 Ca 0.10 -0.50 -0.04 0.00 -1.23 0.00 0.00 61.79 60.13 1ds9 h SER 109 Cb 0.42 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1ds9 h SER 109 CO 0.02 1.08 -0.36 1.23 -0.53 0.00 0.00 176.83 178.27 1ds9 h GLY 110 N 0.39 -1.04 1.25 5.77 0.00 -1.88 -1.48 103.07 106.09 1ds9 h GLY 110 Ca 0.03 0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.78 1ds9 h GLY 110 CO 0.08 -0.38 0.43 0.16 0.00 0.00 0.00 176.54 176.83 1ds9 h ILE 111 N -1.03 1.10 0.13 2.60 -0.00 -1.28 -0.33 117.51 118.69 1ds9 h ILE 111 Ca -0.10 -0.27 -0.00 0.00 -0.00 0.00 0.00 64.86 64.48 1ds9 h ILE 111 Cb 0.77 0.24 -0.00 0.00 -0.00 0.00 0.00 36.82 37.82 1ds9 h ILE 111 CO 0.17 0.14 -0.09 -0.08 -0.00 0.00 0.00 178.15 178.30 1ds9 h GLU 112 N 0.79 -0.21 0.40 0.16 4.81 -0.76 -0.15 114.58 119.63 1ds9 h GLU 112 Ca 0.26 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1ds9 h GLU 112 Cb 0.06 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1ds9 h GLU 112 CO -0.07 -0.14 -0.19 0.87 -0.73 0.00 0.00 179.01 178.75 1ds9 h LYS 113 N -0.21 -0.52 -1.00 1.92 1.57 -0.84 -0.05 116.57 117.43 1ds9 h LYS 113 Ca -0.01 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 59.00 1ds9 h LYS 113 Cb 0.18 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.51 1ds9 h LYS 113 CO 0.01 -0.35 0.61 1.37 -0.57 0.00 0.00 179.45 180.52 1ds9 h LEU 114 N -1.14 0.75 -0.21 2.94 8.10 -1.15 0.25 115.31 124.85 1ds9 h LEU 114 Ca -0.06 0.09 -0.22 0.00 0.11 0.00 0.00 57.88 57.81 1ds9 h LEU 114 Cb 0.41 -0.04 0.01 0.00 -0.44 0.00 0.00 40.66 40.60 1ds9 h LEU 114 CO 0.09 0.27 -0.80 1.62 -4.11 0.00 0.00 178.44 175.51 1ds9 h VAL 115 N 0.73 1.31 0.00 0.15 3.04 -1.09 -2.77 116.25 117.63 1ds9 h VAL 115 Ca 0.57 -2.07 0.00 0.00 -1.01 0.00 0.00 66.70 64.19 1ds9 h VAL 115 Cb 0.93 2.08 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 1ds9 h VAL 115 CO -0.36 0.64 0.00 -1.13 -1.01 0.00 0.00 177.57 175.71 1ds9 h ASN 116 N 0.44 0.00 -1.44 3.17 -0.73 0.14 -3.44 115.58 113.73 1ds9 h ASN 116 Ca -0.06 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.00 1ds9 h ASN 116 Cb 1.42 0.00 0.07 0.00 0.27 0.00 0.00 38.32 40.08 1ds9 h ASN 116 CO 0.16 0.00 -0.06 -0.11 -0.37 0.00 0.00 177.43 177.05 1ds9 n LEU 117 N -2.97 0.00 0.00 0.34 7.94 -0.22 -4.81 117.00 117.29 1ds9 n LEU 117 Ca -0.03 -0.28 0.00 0.00 -1.11 0.00 0.00 56.01 54.59 1ds9 n LEU 117 Cb 0.07 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.60 1ds9 n LEU 117 CO 0.19 -1.94 0.04 0.54 -1.11 0.00 0.00 177.39 175.10 1ds9 n ARG 118 N -1.92 0.00 -5.07 1.96 5.12 -1.25 -4.47 116.66 111.04 1ds9 n ARG 118 Ca 0.04 0.25 -0.32 0.00 -1.93 0.00 0.00 57.85 55.90 1ds9 n ARG 118 Cb 0.19 -0.80 -0.16 0.00 -1.16 0.00 0.00 32.46 30.53 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 -0.65 2.44 0.02 1.55 0.11 -0.57 -1.20 120.40 122.11 1ds9 s VAL 119 Ca 0.00 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.17 1ds9 s VAL 119 Cb 0.00 -1.96 -0.02 0.00 -1.53 0.00 0.00 36.38 32.88 1ds9 s VAL 119 CO 0.00 0.55 -0.06 -0.76 -3.33 0.00 0.00 175.10 171.50 1ds9 s LEU 120 N 0.16 2.16 -0.24 2.54 1.02 -0.49 -1.53 118.68 122.32 1ds9 s LEU 120 Ca -0.11 -0.38 0.02 0.00 0.02 0.00 0.00 54.13 53.68 1ds9 s LEU 120 Cb -0.16 -0.16 0.05 0.00 0.02 0.00 0.00 46.19 45.93 1ds9 s LEU 120 CO 0.06 -0.12 -0.13 -0.31 0.02 0.00 0.00 176.35 175.87 1ds9 s TYR 121 N -0.93 3.11 -0.47 0.29 1.51 -0.40 -0.84 117.35 119.63 1ds9 s TYR 121 Ca -0.06 -2.08 0.03 0.00 -1.01 0.00 0.00 57.07 53.95 1ds9 s TYR 121 Cb -0.07 -1.94 0.15 0.00 -0.11 0.00 0.00 41.96 39.99 1ds9 s TYR 121 CO 0.00 -0.85 0.29 -1.64 -1.11 0.00 0.00 175.55 172.24 1ds9 s MET 122 N 1.17 1.38 0.00 -0.62 -1.94 0.19 -0.79 119.30 118.69 1ds9 s MET 122 Ca -0.04 -2.19 0.21 0.00 -1.71 0.00 0.00 55.69 51.95 1ds9 s MET 122 Cb -0.18 -2.32 0.60 0.00 2.01 0.00 0.00 34.83 34.93 1ds9 s MET 122 CO -0.07 -1.21 1.47 -1.13 -0.01 0.00 0.00 175.02 174.06 1ds9 n SER 123 N 3.23 2.33 -2.71 3.03 3.41 -1.18 -1.48 113.62 120.24 1ds9 n SER 123 Ca 0.14 -1.84 -0.08 0.00 -0.26 0.00 0.00 58.87 56.83 1ds9 n SER 123 Cb 0.37 -0.17 0.11 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.76 -2.08 -4.87 4.04 5.03 0.28 -3.20 115.26 115.22 1ds9 n ASN 124 Ca 0.17 -2.98 -0.32 0.00 0.87 0.00 0.00 54.58 52.32 1ds9 n ASN 124 Cb 0.42 1.42 -0.05 0.00 -1.02 0.00 0.00 39.78 40.55 1ds9 n ASN 124 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ds9 s ASN 125 N -1.21 6.66 -0.39 6.41 4.22 0.16 -0.96 114.94 129.84 1ds9 s ASN 125 Ca 0.22 1.00 -0.04 0.00 -2.14 0.00 0.00 52.86 51.90 1ds9 s ASN 125 Cb 0.35 -2.26 0.09 0.00 1.28 0.00 0.00 41.25 40.71 1ds9 s ASN 125 CO -0.07 -0.11 0.17 -0.75 -2.04 0.00 0.00 177.10 174.30 1ds9 s LYS 126 N -2.88 2.24 -0.17 3.55 2.47 0.16 -3.94 119.74 121.17 1ds9 s LYS 126 Ca 0.49 -1.61 -0.10 0.00 -1.56 0.00 0.00 55.97 53.19 1ds9 s LYS 126 Cb -0.11 -3.54 0.06 0.00 -1.46 0.00 0.00 37.83 32.78 1ds9 s LYS 126 CO 0.20 -0.94 0.42 0.42 0.16 0.00 0.00 175.35 175.61 1ds9 s ILE 127 N 1.23 -0.02 -0.19 5.43 1.01 -1.26 -1.69 121.20 125.72 1ds9 s ILE 127 Ca 0.04 0.09 0.19 0.00 0.00 0.00 0.00 60.65 60.97 1ds9 s ILE 127 Cb -0.22 -0.62 0.47 0.00 0.01 0.00 0.00 42.46 42.10 1ds9 s ILE 127 CO -0.02 0.03 1.16 0.35 0.00 0.00 0.00 174.94 176.46 1ds9 n THR 128 N 4.18 1.28 -2.96 2.92 -2.24 -1.26 -0.62 114.28 115.59 1ds9 n THR 128 Ca -0.23 -2.67 -0.33 0.00 -2.27 0.00 0.00 64.05 58.55 1ds9 n THR 128 Cb 0.55 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.30 1ds9 n THR 128 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ds9 n ASN 129 N -0.38 5.39 -0.33 3.42 4.13 -1.26 -4.85 115.26 121.38 1ds9 n ASN 129 Ca 0.15 -3.61 0.06 0.00 1.68 0.00 0.00 54.58 52.86 1ds9 n ASN 129 Cb 0.92 -0.84 0.21 0.00 -1.54 0.00 0.00 39.78 38.53 1ds9 n ASN 129 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 1ds9 h TRP 130 N 3.85 1.00 -0.90 3.10 7.01 -1.94 0.25 115.95 128.32 1ds9 h TRP 130 Ca 0.26 0.03 0.18 0.00 2.11 0.00 0.00 58.89 61.48 1ds9 h TRP 130 Cb 0.50 -0.31 -0.17 0.00 -2.10 0.00 0.00 29.16 27.08 1ds9 h TRP 130 CO 0.98 0.38 -0.22 0.78 -2.79 0.00 0.00 178.44 177.57 1ds9 h GLY 131 N 0.88 0.66 0.00 2.65 0.00 -2.01 -1.67 103.07 103.58 1ds9 h GLY 131 Ca 0.46 0.29 -0.20 0.00 0.00 0.00 0.00 47.33 47.88 1ds9 h GLY 131 CO -0.27 -0.34 -1.70 1.18 0.00 0.00 0.00 176.54 175.40 1ds9 n GLU 132 N -5.57 0.29 -0.31 4.80 1.02 -1.06 -4.61 120.64 115.20 1ds9 n GLU 132 Ca 0.14 0.10 0.20 0.00 -0.02 0.00 0.00 57.16 57.57 1ds9 n GLU 132 Cb 0.46 -1.10 0.47 0.00 -0.02 0.00 0.00 31.44 31.25 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 -0.24 0.60 -0.73 -3.67 1.08 -0.57 0.14 117.51 114.12 1ds9 h ILE 133 Ca -0.30 -0.16 0.17 0.00 -0.39 0.00 0.00 64.86 64.17 1ds9 h ILE 133 Cb 1.35 0.08 -0.12 0.00 -3.07 0.00 0.00 36.82 35.06 1ds9 h ILE 133 CO -0.12 0.09 0.04 -2.24 -0.69 0.00 0.00 178.15 175.22 1ds9 h ASP 134 N 0.48 -0.27 0.00 1.72 2.03 -1.41 -1.38 116.42 117.58 1ds9 h ASP 134 Ca 0.56 0.18 -0.38 0.00 -0.73 0.00 0.00 57.03 56.66 1ds9 h ASP 134 Cb 1.29 0.31 -0.06 0.00 -0.83 0.00 0.00 39.33 40.04 1ds9 h ASP 134 CO -0.29 -0.15 -2.32 2.29 -1.03 0.00 0.00 179.24 177.75 1ds9 n LYS 135 N -5.31 0.52 0.14 4.15 2.85 -0.76 -4.41 118.16 115.34 1ds9 n LYS 135 Ca 0.13 0.19 0.18 0.00 -1.05 0.00 0.00 58.31 57.77 1ds9 n LYS 135 Cb 0.46 -1.38 0.67 0.00 -0.65 0.00 0.00 35.03 34.12 1ds9 n LYS 135 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1ds9 h LEU 136 N -0.59 0.00 -3.52 -5.58 4.07 -0.78 -2.11 115.31 106.80 1ds9 h LEU 136 Ca -0.57 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.26 1ds9 h LEU 136 Cb 1.61 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.30 1ds9 h LEU 136 CO -0.28 0.00 -0.11 0.00 -1.08 0.00 0.00 178.44 176.98 1ds9 n ALA 137 N -2.12 5.18 -4.13 1.53 0.00 -0.52 -4.40 120.51 116.04 1ds9 n ALA 137 Ca 0.06 -1.02 -0.34 0.00 0.00 0.00 0.00 53.44 52.14 1ds9 n ALA 137 Cb 0.71 -1.62 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 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 1.79 -1.32 -0.01 0.00 0.00 -0.85 -4.76 120.51 115.36 1ds9 n ALA 138 Ca 0.22 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.78 1ds9 n ALA 138 Cb 0.68 -3.59 0.50 0.00 0.00 0.00 0.00 19.45 17.04 1ds9 n ALA 138 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1ds9 h LEU 139 N -1.67 0.34 -3.98 0.00 -0.00 -1.62 0.33 115.31 108.72 1ds9 h LEU 139 Ca -0.59 0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 56.68 1ds9 h LEU 139 Cb 1.38 -0.07 -0.30 0.00 -0.00 0.00 0.00 40.66 41.67 1ds9 h LEU 139 CO 0.74 0.22 0.73 -0.90 -0.00 0.00 0.00 178.44 179.24 1ds9 n ASP 140 N -4.47 6.12 0.00 0.17 5.75 -1.26 -4.55 116.55 118.30 1ds9 n ASP 140 Ca 0.06 -3.73 0.00 0.00 -0.01 0.00 0.00 54.79 51.12 1ds9 n ASP 140 Cb 0.26 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 1ds9 n ASP 140 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1ds9 n LYS 141 N -1.00 0.00 0.00 0.11 4.81 -0.79 -4.45 118.16 116.83 1ds9 n LYS 141 Ca 0.61 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1ds9 n LYS 141 Cb 1.04 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.09 1ds9 n LYS 141 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1ds9 n LEU 142 N -1.89 0.00 0.00 3.14 4.77 0.04 0.11 117.00 123.17 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 0.22 -0.62 -1.33 0.00 0.00 177.39 175.66 1ds9 n GLU 143 N 0.00 0.00 -5.06 3.23 -0.58 -1.26 -3.71 120.64 113.26 1ds9 n GLU 143 Ca 0.00 0.13 -0.30 0.00 -0.42 0.00 0.00 57.16 56.57 1ds9 n GLU 143 Cb 0.00 -0.93 -0.17 0.00 -0.57 0.00 0.00 31.44 29.77 1ds9 n GLU 143 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ds9 s ASP 144 N -2.29 2.72 -0.27 1.62 -1.08 -0.34 -0.45 116.67 116.59 1ds9 s ASP 144 Ca 0.00 -0.48 -0.25 0.00 -0.52 0.00 0.00 52.55 51.31 1ds9 s ASP 144 Cb 0.00 -1.12 0.07 0.00 -1.46 0.00 0.00 42.92 40.41 1ds9 s ASP 144 CO 0.00 0.15 0.72 -1.48 0.52 0.00 0.00 175.17 175.08 1ds9 s LEU 145 N 0.30 -0.75 -0.21 -1.34 2.34 -0.42 -1.39 118.68 117.21 1ds9 s LEU 145 Ca -0.14 1.44 -0.04 0.00 0.06 0.00 0.00 54.13 55.45 1ds9 s LEU 145 Cb -0.16 2.46 -0.01 0.00 -0.56 0.00 0.00 46.19 47.91 1ds9 s LEU 145 CO 0.06 -0.25 -0.03 -0.22 -1.06 0.00 0.00 176.35 174.85 1ds9 s LEU 146 N 0.43 3.00 -0.31 1.48 2.96 -0.02 -0.05 118.68 126.17 1ds9 s LEU 146 Ca -0.00 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1ds9 s LEU 146 Cb -0.05 -1.76 0.09 0.00 0.50 0.00 0.00 46.19 44.97 1ds9 s LEU 146 CO 0.00 0.02 0.05 -0.76 -1.32 0.00 0.00 176.35 174.33 1ds9 s LEU 147 N 1.28 3.39 -0.40 -0.68 1.43 -1.25 0.55 118.68 123.01 1ds9 s LEU 147 Ca 0.03 -1.78 0.09 0.00 -1.03 0.00 0.00 54.13 51.44 1ds9 s LEU 147 Cb -0.14 -1.25 0.27 0.00 0.03 0.00 0.00 46.19 45.09 1ds9 s LEU 147 CO -0.01 -0.37 0.63 0.00 0.23 0.00 0.00 176.35 176.84 1ds9 n ALA 148 N 4.56 1.74 0.00 4.21 0.00 -0.55 -4.97 120.51 125.50 1ds9 n ALA 148 Ca -0.01 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.35 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 1.16 0.49 0.00 0.00 0.00 -1.19 -4.19 105.19 101.45 1ds9 n GLY 149 Ca 0.20 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.15 1.61 0.23 -1.25 0.40 115.26 116.10 1ds9 n ASN 150 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1ds9 n ASN 150 Cb 0.00 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 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 0.96 0.00 -0.53 0.13 -1.75 -1.78 132.00 129.02 1ds9 h PRO 151 Ca 0.00 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 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 1.07 0.00 1.28 -0.23 0.00 0.00 178.00 180.12 1ds9 n LEU 152 N -4.11 0.00 -0.10 1.56 4.77 0.21 0.10 117.00 119.42 1ds9 n LEU 152 Ca 0.00 0.93 -0.05 0.00 -0.03 0.00 0.00 56.01 56.86 1ds9 n LEU 152 Cb 0.45 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1ds9 n LEU 152 CO 0.46 -0.43 0.88 0.22 -1.33 0.00 0.00 177.39 177.19 1ds9 h TYR 153 N 0.00 0.05 -0.02 -1.77 5.03 -1.85 0.12 116.97 118.54 1ds9 h TYR 153 Ca 0.00 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.34 1ds9 h TYR 153 Cb 0.00 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.31 1ds9 h TYR 153 CO -0.09 -0.02 0.02 -0.91 -1.32 0.00 0.00 178.16 175.83 1ds9 h ASN 154 N 0.15 0.00 -0.09 -2.11 -0.26 -1.27 -0.93 115.58 111.07 1ds9 h ASN 154 Ca 0.17 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1ds9 h ASN 154 Cb 0.22 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.48 1ds9 h ASN 154 CO -0.26 0.00 -0.03 -0.78 -1.06 0.00 0.00 177.43 175.31 1ds9 h ASP 155 N 0.00 0.18 0.38 5.81 3.58 0.34 -3.16 116.42 123.55 1ds9 h ASP 155 Ca 0.01 -0.38 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 1ds9 h ASP 155 Cb 0.05 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 1ds9 h ASP 155 CO -0.00 0.52 -0.43 0.22 -2.88 0.00 0.00 179.24 176.67 1ds9 h TYR 156 N -0.16 -1.19 0.00 0.28 5.03 -0.43 -3.45 116.97 117.05 1ds9 h TYR 156 Ca 0.02 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1ds9 h TYR 156 Cb 0.44 0.47 0.00 0.00 1.55 0.00 0.00 36.73 39.20 1ds9 h TYR 156 CO 0.06 -0.58 0.00 1.63 -1.32 0.00 0.00 178.16 177.95 1ds9 n LYS 157 N -5.51 0.00 -0.24 1.82 5.02 -0.66 -4.65 118.16 113.93 1ds9 n LYS 157 Ca -0.10 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.29 1ds9 n LYS 157 Cb 0.41 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.63 1ds9 n LYS 157 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1ds9 n GLU 158 N 0.00 -0.06 -0.56 1.97 -0.00 -1.23 -1.58 120.64 119.19 1ds9 n GLU 158 Ca 0.00 1.06 0.03 0.00 -0.00 0.00 0.00 57.16 58.25 1ds9 n GLU 158 Cb 0.00 -1.68 0.04 0.00 -0.00 0.00 0.00 31.44 29.81 1ds9 n GLU 158 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1ds9 n ASN 159 N -4.97 0.74 0.00 -1.84 5.15 -1.26 -4.64 115.26 108.45 1ds9 n ASN 159 Ca 0.16 -2.34 0.00 0.00 -0.60 0.00 0.00 54.58 51.81 1ds9 n ASN 159 Cb 0.54 -0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1ds9 n ASN 159 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1ds9 n ASN 160 N -0.29 4.35 -0.10 1.20 4.13 -0.61 -4.70 115.26 119.24 1ds9 n ASN 160 Ca 0.05 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.22 1ds9 n ASN 160 Cb 0.75 0.72 -0.15 0.00 -1.54 0.00 0.00 39.78 39.56 1ds9 n ASN 160 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ds9 n ALA 161 N -1.48 1.52 -0.35 5.41 0.00 -0.70 -4.13 120.51 120.78 1ds9 n ALA 161 Ca 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 53.44 52.18 1ds9 n ALA 161 Cb 0.15 -0.17 0.18 0.00 0.00 0.00 0.00 19.45 19.61 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 1.03 -0.58 0.00 2.02 -1.82 0.11 112.91 113.67 1ds9 h THR 162 Ca -0.53 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.19 1ds9 h THR 162 Cb 2.21 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1ds9 h THR 162 CO 0.03 0.20 0.02 -1.28 0.37 0.00 0.00 175.52 174.85 1ds9 h SER 163 N 1.07 0.95 -0.52 4.18 0.87 -1.84 -1.52 113.55 116.74 1ds9 h SER 163 Ca 0.43 -0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1ds9 h SER 163 Cb 0.24 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1ds9 h SER 163 CO -0.20 1.00 0.15 -0.33 -0.53 0.00 0.00 176.83 176.92 1ds9 h GLU 164 N 0.91 0.87 0.18 2.24 5.08 -1.18 -0.22 114.58 122.46 1ds9 h GLU 164 Ca 0.17 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ds9 h GLU 164 Cb 0.50 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ds9 h GLU 164 CO 0.02 0.78 -0.08 1.88 -1.00 0.00 0.00 179.01 180.61 1ds9 h TYR 165 N 0.84 -0.22 0.34 4.33 0.05 -0.29 0.39 116.97 122.41 1ds9 h TYR 165 Ca 0.19 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 1ds9 h TYR 165 Cb 0.29 0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 1ds9 h TYR 165 CO 0.02 -0.01 -0.21 -0.09 -1.05 0.00 0.00 178.16 176.82 1ds9 h ARG 166 N -0.40 -0.51 -0.82 4.88 1.12 -1.02 0.56 114.38 118.20 1ds9 h ARG 166 Ca -0.02 0.03 0.03 0.00 -1.11 0.00 0.00 59.98 58.91 1ds9 h ARG 166 Cb 0.31 0.12 -0.05 0.00 -0.01 0.00 0.00 29.97 30.34 1ds9 h ARG 166 CO 0.04 -0.34 0.54 0.82 -3.11 0.00 0.00 179.97 177.92 1ds9 h ILE 167 N -0.53 1.13 -0.12 1.20 5.03 -1.02 0.20 117.51 123.42 1ds9 h ILE 167 Ca -0.03 -0.35 -0.11 0.00 -0.12 0.00 0.00 64.86 64.25 1ds9 h ILE 167 Cb 0.44 0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 34.25 1ds9 h ILE 167 CO 0.03 0.18 -0.41 -0.33 -0.68 0.00 0.00 178.15 176.94 1ds9 h GLU 168 N 1.01 0.26 0.22 2.37 5.08 0.37 -1.37 114.58 122.53 1ds9 h GLU 168 Ca 0.32 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1ds9 h GLU 168 Cb 0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ds9 h GLU 168 CO -0.09 0.64 -0.11 0.28 -1.00 0.00 0.00 179.01 178.73 1ds9 h VAL 169 N 0.22 0.83 -0.60 3.13 2.07 0.21 -0.73 116.25 121.38 1ds9 h VAL 169 Ca 0.02 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1ds9 h VAL 169 Cb 0.83 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1ds9 h VAL 169 CO 0.07 0.06 0.10 1.62 0.02 0.00 0.00 177.57 179.44 1ds9 h VAL 170 N -0.44 1.25 0.10 2.57 3.04 -1.25 0.88 116.25 122.41 1ds9 h VAL 170 Ca -0.03 -0.97 -0.00 0.00 -1.01 0.00 0.00 66.70 64.69 1ds9 h VAL 170 Cb 0.33 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1ds9 h VAL 170 CO 0.05 0.36 -0.05 0.11 -1.01 0.00 0.00 177.57 177.03 1ds9 h LYS 171 N 0.92 -0.13 -0.02 4.17 1.57 -1.04 -3.17 116.57 118.87 1ds9 h LYS 171 Ca 0.19 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1ds9 h LYS 171 Cb 0.40 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1ds9 h LYS 171 CO 0.01 -0.08 0.00 -2.13 -0.57 0.00 0.00 179.45 176.67 1ds9 n ARG 172 N -2.37 1.14 -0.50 3.15 0.63 -0.30 -4.91 116.66 113.49 1ds9 n ARG 172 Ca -0.02 -0.20 -0.06 0.00 -0.92 0.00 0.00 57.85 56.65 1ds9 n ARG 172 Cb 0.05 -1.41 -0.07 0.00 0.45 0.00 0.00 32.46 31.49 1ds9 n ARG 172 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1ds9 n LEU 173 N -0.68 -0.55 -0.04 6.15 7.94 0.31 -4.76 117.00 125.37 1ds9 n LEU 173 Ca 0.19 -0.24 -0.03 0.00 -1.11 0.00 0.00 56.01 54.82 1ds9 n LEU 173 Cb 0.14 -0.19 -0.01 0.00 0.53 0.00 0.00 43.42 43.89 1ds9 n LEU 173 CO 0.15 -0.52 -0.21 -0.81 -1.11 0.00 0.00 177.39 174.89 1ds9 n PRO 174 N 1.88 0.22 0.04 1.96 -0.04 -1.26 -4.96 135.00 132.84 1ds9 n PRO 174 Ca 0.20 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1ds9 n PRO 174 Cb 0.07 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -3.39 0.82 -3.63 3.54 5.03 -1.26 -5.05 115.26 111.32 1ds9 n ASN 175 Ca -0.04 0.11 -0.44 0.00 0.87 0.00 0.00 54.58 55.07 1ds9 n ASN 175 Cb 0.16 -0.24 -0.05 0.00 -1.02 0.00 0.00 39.78 38.63 1ds9 n ASN 175 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ds9 n LEU 176 N -3.24 -0.47 0.00 3.41 -0.00 0.31 -4.78 117.00 112.23 1ds9 n LEU 176 Ca 0.00 0.93 0.00 0.00 -0.00 0.00 0.00 56.01 56.94 1ds9 n LEU 176 Cb 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 43.42 42.66 1ds9 n LEU 176 CO 0.00 -1.95 -0.45 1.17 -0.00 0.00 0.00 177.39 176.16 1ds9 n LYS 177 N 1.04 0.38 -3.80 1.47 4.81 -0.69 -4.89 118.16 116.48 1ds9 n LYS 177 Ca 0.16 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.32 1ds9 n LYS 177 Cb 0.13 -0.95 -0.11 0.00 0.02 0.00 0.00 35.03 34.11 1ds9 n LYS 177 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ds9 n LYS 178 N -2.34 1.80 -2.81 1.64 4.76 0.41 -5.00 118.16 116.62 1ds9 n LYS 178 Ca 0.00 -4.42 -0.44 0.00 -2.87 0.00 0.00 58.31 50.59 1ds9 n LYS 178 Cb 0.45 -2.23 0.00 0.00 -1.84 0.00 0.00 35.03 31.41 1ds9 n LYS 178 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1ds9 n LEU 179 N 1.87 5.49 -2.99 -0.35 7.94 -1.26 -1.30 117.00 126.40 1ds9 n LEU 179 Ca 0.22 -4.47 -0.08 0.00 -1.11 0.00 0.00 56.01 50.57 1ds9 n LEU 179 Cb 0.37 -1.60 0.01 0.00 0.53 0.00 0.00 43.42 42.73 1ds9 n LEU 179 CO 0.27 0.83 0.11 -0.67 -1.11 0.00 0.00 177.39 176.82 1ds9 n ASP 180 N 5.43 -7.66 -0.21 1.96 2.03 0.92 -4.59 116.55 114.44 1ds9 n ASP 180 Ca 0.38 0.27 0.04 0.00 0.52 0.00 0.00 54.79 56.00 1ds9 n ASP 180 Cb 0.42 -5.02 0.19 0.00 -0.72 0.00 0.00 41.12 35.99 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 -0.77 -0.48 0.22 0.27 0.00 -1.26 -4.26 105.19 98.90 1ds9 n GLY 181 Ca 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 1ds9 n GLY 181 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ds9 h MET 182 N 0.71 0.07 -0.92 1.61 -1.53 -1.95 -0.70 114.93 112.22 1ds9 h MET 182 Ca 0.00 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 1ds9 h MET 182 Cb 0.16 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 1ds9 h MET 182 CO 0.00 0.05 0.02 -0.35 0.14 0.00 0.00 176.91 176.77 1ds9 n PRO 183 N -5.31 1.75 -0.07 0.39 -0.04 -1.26 -4.45 135.00 126.01 1ds9 n PRO 183 Ca 0.07 -0.68 -0.07 0.00 -0.04 0.00 0.00 63.50 62.78 1ds9 n PRO 183 Cb 0.31 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 32.16 1ds9 n PRO 183 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1ds9 h VAL 184 N 0.76 0.70 -3.96 0.52 -1.51 -1.42 -3.45 116.25 107.89 1ds9 h VAL 184 Ca 0.02 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.33 1ds9 h VAL 184 Cb 0.92 0.70 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 1ds9 h VAL 184 CO 0.13 0.00 -0.20 0.47 -1.23 0.00 0.00 177.57 176.74 1ds9 n ASP 185 N -5.25 -2.78 -2.33 4.19 8.00 -1.26 -0.87 116.55 116.25 1ds9 n ASP 185 Ca -0.01 0.29 -0.07 0.00 0.71 0.00 0.00 54.79 55.72 1ds9 n ASP 185 Cb 0.17 -2.45 -0.01 0.00 -0.02 0.00 0.00 41.12 38.81 1ds9 n ASP 185 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1ds9 n VAL 186 N -2.90 -0.28 0.47 2.53 3.14 -1.26 -4.74 118.33 115.28 1ds9 n VAL 186 Ca -0.09 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.39 1ds9 n VAL 186 Cb 0.54 -0.91 -0.15 0.00 -1.06 0.00 0.00 33.84 32.26 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 -1.46 0.49 0.18 6.55 -0.08 -0.05 -4.24 116.55 117.95 1ds9 n ASP 187 Ca -0.08 -0.47 0.18 0.00 -1.51 0.00 0.00 54.79 52.91 1ds9 n ASP 187 Cb 0.52 1.52 0.80 0.00 2.34 0.00 0.00 41.12 46.31 1ds9 n ASP 187 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1ds9 h GLU 188 N 0.00 0.00 -0.01 -0.67 4.11 -1.85 0.98 114.58 117.14 1ds9 h GLU 188 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ds9 h GLU 188 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1ds9 h GLU 188 CO 0.00 0.00 -0.00 0.54 0.07 0.00 0.00 179.01 179.62 1ds9 n ARG 189 N -3.59 1.29 0.05 1.06 5.12 -1.26 -2.73 116.66 116.61 1ds9 n ARG 189 Ca 0.03 -0.44 0.00 0.00 -1.93 0.00 0.00 57.85 55.51 1ds9 n ARG 189 Cb 0.45 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 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 -0.47 0.00 0.08 5.56 1.02 0.32 -4.32 120.64 122.84 1ds9 n GLU 190 Ca 0.21 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.23 1ds9 n GLU 190 Cb 0.23 -0.45 -0.08 0.00 -0.02 0.00 0.00 31.44 31.11 1ds9 n GLU 190 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1ds9 h GLN 191 N 0.00 -0.22 0.00 3.49 4.15 -1.06 -0.67 115.11 120.80 1ds9 h GLN 191 Ca 0.00 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 1ds9 h GLN 191 Cb 0.08 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1ds9 h GLN 191 CO 0.00 0.15 -0.20 0.00 -1.93 0.00 0.00 178.83 176.85 1ds9 h ALA 192 N 0.06 1.34 -0.29 3.38 0.00 -1.65 -0.02 119.26 122.08 1ds9 h ALA 192 Ca -0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1ds9 h ALA 192 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ds9 h ALA 192 CO 0.04 0.25 -0.24 -0.91 0.00 0.00 0.00 179.25 178.38 1ds9 h ASN 193 N 0.00 0.71 0.46 0.00 2.35 -1.33 0.60 115.58 118.36 1ds9 h ASN 193 Ca -0.00 -0.46 -0.09 0.00 -0.55 0.00 0.00 56.30 55.20 1ds9 h ASN 193 Cb 0.45 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1ds9 h ASN 193 CO 0.03 1.02 -0.43 0.58 -1.65 0.00 0.00 177.43 176.98 1ds9 h VAL 194 N 0.41 1.28 0.00 2.81 2.07 -0.51 -1.38 116.25 120.93 1ds9 h VAL 194 Ca 0.05 -1.48 -0.19 0.00 0.82 0.00 0.00 66.70 65.90 1ds9 h VAL 194 Cb 0.80 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1ds9 h VAL 194 CO 0.06 0.42 -0.90 0.00 0.02 0.00 0.00 177.57 177.18 1ds9 h ALA 195 N 1.57 0.44 -0.06 1.67 0.00 -0.58 0.17 119.26 122.47 1ds9 h ALA 195 Ca -0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 54.91 53.93 1ds9 h ALA 195 Cb 0.77 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ds9 h ALA 195 CO 0.06 1.10 -0.62 -0.09 0.00 0.00 0.00 179.25 179.70 1ds9 h ARG 196 N 0.00 0.52 -1.27 0.00 2.43 0.59 -3.33 114.38 113.32 1ds9 h ARG 196 Ca -0.02 -0.48 -0.58 0.00 -0.81 0.00 0.00 59.98 58.09 1ds9 h ARG 196 Cb 1.68 0.12 -0.42 0.00 -0.42 0.00 0.00 29.97 30.93 1ds9 h ARG 196 CO 0.11 1.12 -0.68 0.41 -1.51 0.00 0.00 179.97 179.42 1ds9 n GLY 197 N 0.88 6.13 0.00 2.80 0.00 -0.55 -5.09 105.19 109.36 1ds9 n GLY 197 Ca -0.09 -2.72 0.00 0.00 0.00 0.00 0.00 46.02 43.21 1ds9 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93