#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 -3.10 -5.12 0.00 -1.26 -2.94 120.51 108.09 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 0.14 -2.76 0.00 4.81 -1.26 -4.67 118.16 114.42 1ds9 n LYS 3 Ca 0.00 -0.28 -0.05 0.00 -0.87 0.00 0.00 58.31 57.10 1ds9 n LYS 3 Cb 0.00 0.36 0.03 0.00 0.02 0.00 0.00 35.03 35.43 1ds9 n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ds9 n ALA 4 N -2.68 -1.74 -1.58 3.14 0.00 -1.26 -4.63 120.51 111.76 1ds9 n ALA 4 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1ds9 n ALA 4 Cb 0.08 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1ds9 n ALA 4 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ds9 n THR 5 N 2.46 0.00 -2.44 0.00 5.66 -1.26 -4.18 114.28 114.52 1ds9 n THR 5 Ca 0.15 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.90 1ds9 n THR 5 Cb 0.59 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.41 1ds9 n THR 5 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1ds9 s THR 6 N 0.13 2.79 -0.05 1.09 2.01 -1.26 -4.08 115.64 116.27 1ds9 s THR 6 Ca 0.00 -0.36 -0.19 0.00 0.31 0.00 0.00 61.69 61.44 1ds9 s THR 6 Cb 0.00 -3.12 -0.14 0.00 0.01 0.00 0.00 72.50 69.25 1ds9 s THR 6 CO 0.00 -0.11 0.79 0.40 -0.69 0.00 0.00 174.62 175.01 1ds9 h ILE 7 N -0.23 0.70 -0.89 1.82 5.03 -1.92 0.41 117.51 122.44 1ds9 h ILE 7 Ca -0.44 -1.08 -0.01 0.00 -0.12 0.00 0.00 64.86 63.21 1ds9 h ILE 7 Cb 1.29 1.19 -0.04 0.00 -3.03 0.00 0.00 36.82 36.23 1ds9 h ILE 7 CO 0.58 0.19 0.51 0.11 -0.68 0.00 0.00 178.15 178.85 1ds9 h LYS 8 N -0.91 1.22 -0.02 2.37 6.56 -1.96 -1.31 116.57 122.52 1ds9 h LYS 8 Ca -0.03 -0.12 -0.16 0.00 -1.06 0.00 0.00 60.65 59.28 1ds9 h LYS 8 Cb 0.50 -0.25 -0.02 0.00 -0.57 0.00 0.00 32.23 31.89 1ds9 h LYS 8 CO 0.04 0.87 -0.74 0.22 -2.06 0.00 0.00 179.45 177.78 1ds9 h ASP 9 N 1.23 0.14 0.36 0.86 3.58 -1.96 -0.31 116.42 120.32 1ds9 h ASP 9 Ca 0.32 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 1ds9 h ASP 9 Cb -0.02 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1ds9 h ASP 9 CO -0.06 0.82 -0.17 0.00 -2.88 0.00 0.00 179.24 176.95 1ds9 h ALA 10 N 1.17 -0.48 -0.36 -0.78 0.00 0.73 0.53 119.26 120.07 1ds9 h ALA 10 Ca -0.02 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1ds9 h ALA 10 Cb 1.30 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1ds9 h ALA 10 CO 0.10 -0.67 -0.28 0.82 0.00 0.00 0.00 179.25 179.22 1ds9 h ILE 11 N -0.68 1.28 -0.33 0.00 2.04 -1.32 -1.23 117.51 117.27 1ds9 h ILE 11 Ca -0.05 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 1ds9 h ILE 11 Cb 0.48 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1ds9 h ILE 11 CO 0.08 0.47 -0.00 0.03 0.00 0.00 0.00 178.15 178.72 1ds9 h ARG 12 N 0.66 0.52 -0.20 2.37 2.47 -0.94 0.20 114.38 119.46 1ds9 h ARG 12 Ca 0.08 -0.11 -0.07 0.00 -1.26 0.00 0.00 59.98 58.62 1ds9 h ARG 12 Cb 0.81 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.05 1ds9 h ARG 12 CO 0.07 0.55 -0.14 0.82 0.56 0.00 0.00 179.97 181.83 1ds9 h ILE 13 N 0.50 1.32 0.00 2.04 2.04 0.54 0.11 117.51 124.05 1ds9 h ILE 13 Ca 0.11 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 1ds9 h ILE 13 Cb 0.33 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1ds9 h ILE 13 CO 0.01 0.38 -0.09 -0.26 0.00 0.00 0.00 178.15 178.18 1ds9 h PHE 14 N 0.13 0.00 0.00 1.37 0.04 -0.76 1.01 116.94 118.72 1ds9 h PHE 14 Ca 0.04 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.61 1ds9 h PHE 14 Cb 0.65 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.77 1ds9 h PHE 14 CO 0.07 0.09 -1.26 0.93 -0.60 0.00 0.00 178.31 177.55 1ds9 h GLU 15 N 0.00 0.00 0.00 1.51 3.07 -0.30 0.66 114.58 119.52 1ds9 h GLU 15 Ca -0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.49 1ds9 h GLU 15 Cb 0.59 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.43 1ds9 h GLU 15 CO 0.01 0.52 -2.41 0.39 -1.40 0.00 0.00 179.01 176.12 1ds9 n GLU 16 N -3.08 0.69 -0.02 2.33 -0.58 0.35 -3.46 120.64 116.88 1ds9 n GLU 16 Ca -0.08 0.03 -0.01 0.00 -0.42 0.00 0.00 57.16 56.69 1ds9 n GLU 16 Cb 0.90 -1.52 -0.00 0.00 -0.57 0.00 0.00 31.44 30.25 1ds9 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ds9 h ARG 17 N 0.00 0.00 0.00 3.49 3.08 0.89 -3.39 114.38 118.45 1ds9 h ARG 17 Ca -0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.49 1ds9 h ARG 17 Cb 2.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.20 1ds9 h ARG 17 CO -0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 179.97 178.68 1ds9 h LYS 18 N -0.26 0.00 -5.34 0.04 3.11 -1.39 -3.47 116.57 109.26 1ds9 h LYS 18 Ca 0.00 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.59 1ds9 h LYS 18 Cb 0.10 0.00 0.18 0.00 -1.00 0.00 0.00 32.23 31.52 1ds9 h LYS 18 CO 0.00 0.00 -0.80 0.43 -2.81 0.00 0.00 179.45 176.27 1ds9 n SER 19 N -2.96 -5.60 -4.75 4.20 7.64 0.21 -4.94 113.62 107.41 1ds9 n SER 19 Ca 0.03 -0.66 -0.28 0.00 1.01 0.00 0.00 58.87 58.98 1ds9 n SER 19 Cb 0.46 -4.95 -0.07 0.00 -1.01 0.00 0.00 64.21 58.64 1ds9 n SER 19 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ds9 s VAL 20 N -3.36 1.78 -0.86 0.44 -7.23 -0.23 -4.95 120.40 105.99 1ds9 s VAL 20 Ca 0.36 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1ds9 s VAL 20 Cb -0.05 -2.59 0.32 0.00 0.56 0.00 0.00 36.38 34.63 1ds9 s VAL 20 CO 0.70 0.00 1.42 0.55 -0.31 0.00 0.00 175.10 177.46 1ds9 n VAL 21 N -1.29 4.76 0.08 1.32 3.14 -1.26 -4.47 118.33 120.60 1ds9 n VAL 21 Ca -0.07 -5.80 -0.04 0.00 -2.96 0.00 0.00 64.34 55.47 1ds9 n VAL 21 Cb 0.66 -1.61 -0.02 0.00 -1.06 0.00 0.00 33.84 31.81 1ds9 n VAL 21 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ds9 h ALA 22 N 3.96 -0.37 -3.25 1.55 0.00 -1.91 -3.46 119.26 115.78 1ds9 h ALA 22 Ca 0.34 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 1ds9 h ALA 22 Cb 0.44 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1ds9 h ALA 22 CO 1.06 -0.36 -0.26 0.25 0.00 0.00 0.00 179.25 179.94 1ds9 n THR 23 N -3.75 -0.37 -3.51 0.00 -2.24 -1.26 -0.23 114.28 102.93 1ds9 n THR 23 Ca -0.03 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.53 1ds9 n THR 23 Cb 0.10 -1.40 0.08 0.00 -2.10 0.00 0.00 70.33 67.01 1ds9 n THR 23 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ds9 n GLU 24 N -2.46 -7.34 -3.98 -0.78 2.13 -1.26 -4.99 120.64 101.95 1ds9 n GLU 24 Ca -0.12 0.78 -0.21 0.00 0.66 0.00 0.00 57.16 58.26 1ds9 n GLU 24 Cb 0.53 -5.67 -0.02 0.00 0.27 0.00 0.00 31.44 26.54 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 -3.30 3.90 0.67 4.31 0.00 0.68 -4.61 121.76 123.40 1ds9 s ALA 25 Ca 0.48 -1.24 0.43 0.00 0.00 0.00 0.00 51.96 51.64 1ds9 s ALA 25 Cb -0.21 -1.69 2.37 0.00 0.00 0.00 0.00 23.12 23.59 1ds9 s ALA 25 CO 0.68 0.25 2.34 0.93 0.00 0.00 0.00 175.76 179.97 1ds9 h GLU 26 N 1.23 0.00 -4.35 0.00 5.08 -1.66 -3.35 114.58 111.53 1ds9 h GLU 26 Ca -0.52 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.12 1ds9 h GLU 26 Cb 1.23 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.18 1ds9 h GLU 26 CO 0.61 0.00 -0.42 0.15 -1.00 0.00 0.00 179.01 178.35 1ds9 s LYS 27 N -4.17 2.45 -0.82 2.33 1.02 -1.25 0.27 119.74 119.57 1ds9 s LYS 27 Ca -0.05 -1.71 -0.03 0.00 0.02 0.00 0.00 55.97 54.20 1ds9 s LYS 27 Cb 0.13 -3.86 0.21 0.00 -0.52 0.00 0.00 37.83 33.79 1ds9 s LYS 27 CO 0.41 -1.13 0.70 0.08 -0.92 0.00 0.00 175.35 174.48 1ds9 s VAL 28 N 1.35 4.36 -1.17 3.17 1.01 -0.56 -4.68 120.40 123.88 1ds9 s VAL 28 Ca 0.05 -3.47 -0.14 0.00 0.00 0.00 0.00 61.98 58.42 1ds9 s VAL 28 Cb -0.25 -3.73 0.17 0.00 0.00 0.00 0.00 36.38 32.57 1ds9 s VAL 28 CO -0.01 -1.03 1.38 -0.70 0.00 0.00 0.00 175.10 174.75 1ds9 s GLU 29 N -0.86 4.04 0.00 2.72 2.12 -1.26 -1.04 118.70 124.43 1ds9 s GLU 29 Ca 0.24 -2.51 0.00 0.00 0.36 0.00 0.00 54.97 53.05 1ds9 s GLU 29 Cb -0.11 -5.02 0.00 0.00 0.26 0.00 0.00 34.13 29.25 1ds9 s GLU 29 CO -0.09 -1.75 0.00 1.28 -0.54 0.00 0.00 175.26 174.16 1ds9 n LEU 30 N 5.63 0.00 0.00 2.70 4.32 0.15 -4.77 117.00 125.03 1ds9 n LEU 30 Ca 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 1ds9 n LEU 30 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1ds9 n LEU 30 CO 0.60 -0.50 0.00 1.57 -1.22 0.00 0.00 177.39 177.84 1ds9 n HIS 31 N -1.13 0.00 -4.11 -1.77 -0.00 -1.26 -3.78 115.22 103.17 1ds9 n HIS 31 Ca 0.00 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.94 1ds9 n HIS 31 Cb 0.00 0.04 -0.05 0.00 -0.12 0.00 0.00 29.99 29.86 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 -2.34 1.56 0.00 1.57 0.00 -1.26 0.12 107.32 106.96 1ds9 s GLY 32 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1ds9 s GLY 32 CO 0.00 -1.37 0.00 1.03 0.00 0.00 0.00 173.10 172.76 1ds9 n MET 33 N -0.78 1.17 -4.50 2.90 2.81 -0.41 -4.59 117.12 113.73 1ds9 n MET 33 Ca -0.08 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.47 1ds9 n MET 33 Cb 0.56 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.96 1ds9 n MET 33 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1ds9 s ILE 34 N -1.36 3.79 0.34 2.02 -4.36 -1.26 -4.40 121.20 115.96 1ds9 s ILE 34 Ca 0.00 -0.41 0.03 0.00 -0.26 0.00 0.00 60.65 60.01 1ds9 s ILE 34 Cb 0.00 -2.62 0.18 0.00 1.25 0.00 0.00 42.46 41.28 1ds9 s ILE 34 CO 0.00 0.53 1.91 1.55 0.24 0.00 0.00 174.94 179.17 1ds9 h PRO 35 N 6.18 0.63 0.00 0.37 0.13 -1.85 -2.10 132.00 135.35 1ds9 h PRO 35 Ca -0.37 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ds9 h PRO 35 Cb 1.19 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1ds9 h PRO 35 CO 0.59 0.57 0.00 -0.35 -0.23 0.00 0.00 178.00 178.57 1ds9 n PRO 36 N -4.32 0.80 -1.63 1.56 -0.04 -1.26 0.83 135.00 130.94 1ds9 n PRO 36 Ca 0.03 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 62.98 1ds9 n PRO 36 Cb 0.19 -1.24 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.74 0.07 0.00 0.52 3.06 -0.79 -4.77 119.36 116.71 1ds9 n ILE 37 Ca 0.09 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.33 1ds9 n ILE 37 Cb 0.04 -1.08 0.00 0.00 0.54 0.00 0.00 39.64 39.14 1ds9 n ILE 37 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1ds9 n GLU 38 N 3.27 0.00 -2.76 9.51 2.13 -1.20 -1.80 120.64 129.79 1ds9 n GLU 38 Ca 0.19 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.59 1ds9 n GLU 38 Cb 0.21 -0.09 -0.04 0.00 0.27 0.00 0.00 31.44 31.80 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 -1.78 3.15 -0.50 5.31 1.02 -1.26 -2.30 119.74 123.38 1ds9 s LYS 39 Ca 0.00 -0.67 -0.02 0.00 0.02 0.00 0.00 55.97 55.30 1ds9 s LYS 39 Cb 0.00 -4.24 0.24 0.00 -0.52 0.00 0.00 37.83 33.32 1ds9 s LYS 39 CO 0.00 -1.92 2.23 -1.33 -0.92 0.00 0.00 175.35 173.41 1ds9 n MET 40 N 8.22 2.29 -0.15 1.68 2.81 -1.26 -4.08 117.12 126.62 1ds9 n MET 40 Ca -0.01 -2.42 0.15 0.00 -1.81 0.00 0.00 57.70 53.61 1ds9 n MET 40 Cb 0.47 -2.00 0.50 0.00 -0.71 0.00 0.00 33.22 31.48 1ds9 n MET 40 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1ds9 h ASP 41 N 2.20 0.39 -0.83 7.83 3.32 -1.91 0.42 116.42 127.84 1ds9 h ASP 41 Ca 0.43 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.48 1ds9 h ASP 41 Cb 0.72 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1ds9 h ASP 41 CO 1.07 0.20 0.45 0.00 -1.72 0.00 0.00 179.24 179.24 1ds9 h ALA 42 N 1.65 1.22 -0.59 3.45 0.00 -1.77 -1.30 119.26 121.93 1ds9 h ALA 42 Ca 0.36 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1ds9 h ALA 42 Cb 0.81 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ds9 h ALA 42 CO -0.11 0.62 0.16 1.15 0.00 0.00 0.00 179.25 181.07 1ds9 h THR 43 N 1.17 1.25 -0.56 0.00 2.02 -0.58 0.24 112.91 116.45 1ds9 h THR 43 Ca 0.29 -0.87 0.05 0.00 0.77 0.00 0.00 66.41 66.65 1ds9 h THR 43 Cb 0.04 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 1ds9 h THR 43 CO -0.05 0.33 0.30 -0.07 0.37 0.00 0.00 175.52 176.40 1ds9 h LEU 44 N 0.85 0.43 0.15 2.58 4.07 -0.23 0.35 115.31 123.50 1ds9 h LEU 44 Ca 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 1ds9 h LEU 44 Cb 0.33 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1ds9 h LEU 44 CO -0.00 0.29 -0.07 0.28 -1.08 0.00 0.00 178.44 177.86 1ds9 h SER 45 N 0.57 -0.17 0.00 -0.43 0.02 -0.97 -3.25 113.55 109.32 1ds9 h SER 45 Ca 0.25 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1ds9 h SER 45 Cb 0.15 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1ds9 h SER 45 CO -0.16 0.14 0.39 0.00 -1.14 0.00 0.00 176.83 176.05 1ds9 h THR 46 N -0.72 0.00 -0.85 -2.27 1.03 -0.55 -1.69 112.91 107.86 1ds9 h THR 46 Ca -0.02 0.00 0.21 0.00 -0.01 0.00 0.00 66.41 66.59 1ds9 h THR 46 Cb 0.15 0.60 -0.13 0.00 -1.07 0.00 0.00 68.15 67.70 1ds9 h THR 46 CO 0.03 0.00 0.29 0.25 -0.01 0.00 0.00 175.52 176.08 1ds9 h LEU 47 N 0.00 0.15 -0.79 0.00 7.12 -0.33 0.90 115.31 122.37 1ds9 h LEU 47 Ca 0.00 0.16 0.07 0.00 0.13 0.00 0.00 57.88 58.24 1ds9 h LEU 47 Cb 0.77 0.19 -0.06 0.00 -0.53 0.00 0.00 40.66 41.03 1ds9 h LEU 47 CO 0.00 -0.05 0.46 0.11 -0.13 0.00 0.00 178.44 178.83 1ds9 h LYS 48 N 0.31 0.80 -1.62 1.25 1.57 -1.50 -0.91 116.57 116.47 1ds9 h LYS 48 Ca 0.52 -0.05 -0.72 0.00 -1.87 0.00 0.00 60.65 58.53 1ds9 h LYS 48 Cb 0.97 -0.18 -0.29 0.00 0.08 0.00 0.00 32.23 32.81 1ds9 h LYS 48 CO -0.56 0.53 0.79 0.00 -0.57 0.00 0.00 179.45 179.65 1ds9 n ALA 49 N -2.36 6.30 -2.89 3.86 0.00 0.29 -4.96 120.51 120.74 1ds9 n ALA 49 Ca 0.11 -3.94 -0.33 0.00 0.00 0.00 0.00 53.44 49.29 1ds9 n ALA 49 Cb 0.20 -1.75 -0.14 0.00 0.00 0.00 0.00 19.45 17.77 1ds9 n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ds9 n LYS 51 N 3.15 0.00 -4.23 0.00 4.81 -1.19 -4.66 118.16 116.03 1ds9 n LYS 51 Ca -0.18 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 56.95 1ds9 n LYS 51 Cb 0.53 0.00 -0.16 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 -2.00 2.39 -0.14 5.64 2.46 0.14 -1.60 115.29 122.18 1ds9 s HIS 52 Ca 0.00 -1.31 0.01 0.00 0.47 0.00 0.00 55.06 54.23 1ds9 s HIS 52 Cb 0.00 -1.69 0.02 0.00 -0.13 0.00 0.00 32.58 30.77 1ds9 s HIS 52 CO 0.00 -0.67 -0.17 -0.51 -2.47 0.00 0.00 174.74 170.92 1ds9 s LEU 53 N 1.23 1.88 -0.06 8.88 1.43 -0.46 -1.50 118.68 130.09 1ds9 s LEU 53 Ca 0.01 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 1ds9 s LEU 53 Cb -0.14 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 1ds9 s LEU 53 CO -0.08 0.00 -0.25 0.00 0.23 0.00 0.00 176.35 176.25 1ds9 s ALA 54 N 1.19 2.14 0.00 4.21 0.00 -0.20 -0.37 121.76 128.72 1ds9 s ALA 54 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1ds9 s ALA 54 Cb -0.14 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1ds9 s ALA 54 CO -0.07 0.40 0.00 1.28 0.00 0.00 0.00 175.76 177.37 1ds9 n LEU 55 N 3.00 0.00 0.07 0.00 4.32 0.38 0.32 117.00 125.10 1ds9 n LEU 55 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 1ds9 n LEU 55 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1ds9 n LEU 55 CO 0.26 0.00 0.00 -1.20 -1.22 0.00 0.00 177.39 175.23 1ds9 n SER 56 N -2.04 -0.74 -3.50 -1.43 7.64 0.33 -3.97 113.62 109.92 1ds9 n SER 56 Ca 0.00 0.26 -0.33 0.00 1.01 0.00 0.00 58.87 59.81 1ds9 n SER 56 Cb 0.00 0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 64.03 1ds9 n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ds9 n THR 57 N -2.87 3.79 -3.32 0.44 -2.24 0.18 0.79 114.28 111.05 1ds9 n THR 57 Ca 0.00 -5.59 -0.43 0.00 -2.27 0.00 0.00 64.05 55.76 1ds9 n THR 57 Cb 0.00 -1.87 -0.08 0.00 -2.10 0.00 0.00 70.33 66.28 1ds9 n THR 57 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ds9 s ASN 58 N -2.37 6.19 -0.18 3.42 4.22 -0.14 -1.29 114.94 124.79 1ds9 s ASN 58 Ca 0.39 -0.76 -0.07 0.00 -2.14 0.00 0.00 52.86 50.28 1ds9 s ASN 58 Cb 0.16 -2.22 -0.04 0.00 1.28 0.00 0.00 41.25 40.43 1ds9 s ASN 58 CO -0.02 -0.61 0.05 0.20 -2.04 0.00 0.00 177.10 174.68 1ds9 s ASN 59 N 1.94 5.56 -0.02 3.54 0.02 -1.26 -1.53 114.94 123.18 1ds9 s ASN 59 Ca 0.11 0.07 0.02 0.00 -1.02 0.00 0.00 52.86 52.04 1ds9 s ASN 59 Cb -0.18 -1.94 0.01 0.00 0.02 0.00 0.00 41.25 39.16 1ds9 s ASN 59 CO 0.13 0.18 -0.06 0.27 0.02 0.00 0.00 177.10 177.63 1ds9 s ILE 60 N 0.33 0.59 -0.17 0.60 -4.36 -0.61 -2.33 121.20 115.24 1ds9 s ILE 60 Ca 0.03 -0.24 -0.17 0.00 -0.26 0.00 0.00 60.65 60.01 1ds9 s ILE 60 Cb -0.12 -0.55 -0.22 0.00 1.25 0.00 0.00 42.46 42.82 1ds9 s ILE 60 CO 0.00 0.20 0.28 -0.33 0.24 0.00 0.00 174.94 175.34 1ds9 h GLU 61 N 6.54 0.10 -3.15 0.37 4.39 0.34 -3.41 114.58 119.76 1ds9 h GLU 61 Ca -0.34 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.23 1ds9 h GLU 61 Cb 1.17 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.82 1ds9 h GLU 61 CO 0.49 1.08 0.15 0.21 -1.16 0.00 0.00 179.01 179.77 1ds9 s LYS 62 N -2.43 1.68 -0.20 2.33 2.20 -0.74 -4.71 119.74 117.87 1ds9 s LYS 62 Ca -0.26 -1.00 -0.12 0.00 -0.36 0.00 0.00 55.97 54.22 1ds9 s LYS 62 Cb 0.06 0.57 0.06 0.00 -1.51 0.00 0.00 37.83 37.02 1ds9 s LYS 62 CO 0.66 -0.75 0.49 0.96 -0.36 0.00 0.00 175.35 176.34 1ds9 s ILE 63 N -3.93 -0.01 -2.80 5.43 -5.25 -1.26 -3.26 121.20 110.12 1ds9 s ILE 63 Ca 0.13 0.05 0.23 0.00 -0.99 0.00 0.00 60.65 60.07 1ds9 s ILE 63 Cb -0.04 -0.71 0.24 0.00 2.95 0.00 0.00 42.46 44.90 1ds9 s ILE 63 CO 0.06 0.02 1.27 -0.24 -1.79 0.00 0.00 174.94 174.26 1ds9 n SER 64 N 3.96 3.06 -2.74 4.36 2.88 -0.97 -4.48 113.62 119.68 1ds9 n SER 64 Ca -0.20 -1.97 -0.38 0.00 -1.33 0.00 0.00 58.87 54.98 1ds9 n SER 64 Cb 0.56 -0.06 0.05 0.00 -0.75 0.00 0.00 64.21 64.01 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 1.35 7.44 -0.11 -3.46 7.64 -1.26 -4.72 113.62 120.49 1ds9 n SER 65 Ca 0.15 -3.82 -0.06 0.00 1.01 0.00 0.00 58.87 56.15 1ds9 n SER 65 Cb 0.59 -1.01 0.02 0.00 -1.01 0.00 0.00 64.21 62.79 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 2.72 0.14 -1.60 -3.43 8.10 -1.80 0.73 115.31 120.17 1ds9 h LEU 66 Ca 0.57 0.04 -0.04 0.00 0.11 0.00 0.00 57.88 58.55 1ds9 h LEU 66 Cb 0.27 0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.51 1ds9 h LEU 66 CO 1.45 0.12 -0.21 0.77 -4.11 0.00 0.00 178.44 176.45 1ds9 h SER 67 N 0.29 0.00 0.85 0.17 4.64 -1.95 0.29 113.55 117.84 1ds9 h SER 67 Ca 0.17 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 1ds9 h SER 67 Cb 0.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1ds9 h SER 67 CO -0.18 0.21 -0.41 1.23 -0.87 0.00 0.00 176.83 176.81 1ds9 h GLY 68 N 0.68 -1.20 2.00 -0.77 0.00 -1.19 -2.49 103.07 100.11 1ds9 h GLY 68 Ca -0.00 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1ds9 h GLY 68 CO 0.03 -0.43 0.00 -0.33 0.00 0.00 0.00 176.54 175.80 1ds9 h MET 69 N -1.25 0.00 0.00 4.80 2.86 -1.13 -3.06 114.93 117.15 1ds9 h MET 69 Ca -0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1ds9 h MET 69 Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1ds9 h MET 69 CO 0.19 0.00 0.15 1.49 1.06 0.00 0.00 176.91 179.80 1ds9 h GLU 70 N 0.00 0.00 -0.67 1.72 4.81 0.07 -0.46 114.58 120.05 1ds9 h GLU 70 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1ds9 h GLU 70 Cb 0.39 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.69 1ds9 h GLU 70 CO 0.00 0.00 0.15 -1.71 -0.73 0.00 0.00 179.01 176.72 1ds9 n ASN 71 N -2.29 5.28 -4.76 1.04 5.15 -1.16 -4.49 115.26 114.03 1ds9 n ASN 71 Ca -0.01 -3.10 -0.27 0.00 -0.60 0.00 0.00 54.58 50.60 1ds9 n ASN 71 Cb 0.18 -0.72 0.10 0.00 -0.53 0.00 0.00 39.78 38.81 1ds9 n ASN 71 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ds9 s LEU 72 N -2.90 2.72 0.00 1.20 2.01 -0.18 -4.44 118.68 117.09 1ds9 s LEU 72 Ca 0.55 0.46 0.00 0.00 0.01 0.00 0.00 54.13 55.15 1ds9 s LEU 72 Cb 0.43 -2.93 0.00 0.00 0.01 0.00 0.00 46.19 43.70 1ds9 s LEU 72 CO 0.15 -1.91 0.00 -1.14 1.01 0.00 0.00 176.35 174.46 1ds9 n ARG 73 N -3.18 0.00 -4.81 1.70 3.00 -0.90 -3.46 116.66 109.01 1ds9 n ARG 73 Ca 0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.62 1ds9 n ARG 73 Cb 0.60 -0.09 -0.13 0.00 0.00 0.00 0.00 32.46 32.84 1ds9 n ARG 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1ds9 s ILE 74 N -1.60 3.18 -0.18 5.15 1.01 -0.62 -1.67 121.20 126.46 1ds9 s ILE 74 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1ds9 s ILE 74 Cb 0.00 -2.28 0.08 0.00 0.01 0.00 0.00 42.46 40.27 1ds9 s ILE 74 CO 0.00 0.57 0.22 -0.22 0.00 0.00 0.00 174.94 175.51 1ds9 s LEU 75 N -0.43 -0.13 -0.98 2.97 0.20 -0.07 -1.35 118.68 118.90 1ds9 s LEU 75 Ca 0.05 -0.04 -0.15 0.00 0.69 0.00 0.00 54.13 54.68 1ds9 s LEU 75 Cb -0.12 0.42 0.19 0.00 -0.43 0.00 0.00 46.19 46.25 1ds9 s LEU 75 CO 0.02 -0.30 1.06 -0.55 -0.29 0.00 0.00 176.35 176.29 1ds9 s SER 76 N 2.34 6.86 0.00 3.68 0.15 0.50 -1.19 113.70 126.04 1ds9 s SER 76 Ca 0.06 -2.67 0.02 0.00 0.70 0.00 0.00 55.95 54.06 1ds9 s SER 76 Cb -0.15 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1ds9 s SER 76 CO -0.11 -0.73 -0.02 -0.22 1.20 0.00 0.00 173.24 173.36 1ds9 s LEU 77 N 1.05 3.40 0.00 3.45 2.96 0.32 -0.47 118.68 129.39 1ds9 s LEU 77 Ca 0.29 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1ds9 s LEU 77 Cb -0.07 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.67 1ds9 s LEU 77 CO -0.07 0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.84 1ds9 n GLY 78 N 1.42 0.55 3.57 7.98 0.00 -1.25 -2.60 105.19 114.85 1ds9 n GLY 78 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 3.62 -0.00 1.61 3.00 0.24 0.52 118.95 127.94 1ds9 s ARG 79 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 55.73 55.84 1ds9 s ARG 79 Cb 0.00 -3.85 -0.00 0.00 0.00 0.00 0.00 34.95 31.10 1ds9 s ARG 79 CO 0.00 -0.89 -0.03 0.54 0.00 0.00 0.00 175.30 174.93 1ds9 s ASN 80 N 1.90 0.33 -0.17 0.23 2.20 0.82 -0.97 114.94 119.28 1ds9 s ASN 80 Ca 0.28 -0.05 0.00 0.00 -0.94 0.00 0.00 52.86 52.16 1ds9 s ASN 80 Cb -0.13 -0.04 0.01 0.00 -2.00 0.00 0.00 41.25 39.08 1ds9 s ASN 80 CO 0.18 0.03 -0.16 -0.76 -2.94 0.00 0.00 177.10 173.45 1ds9 s LEU 81 N -0.03 2.36 0.00 3.54 1.43 -0.59 -1.85 118.68 123.56 1ds9 s LEU 81 Ca 0.01 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1ds9 s LEU 81 Cb -0.01 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1ds9 s LEU 81 CO -0.00 0.03 0.02 -0.63 0.23 0.00 0.00 176.35 176.00 1ds9 s ILE 82 N 1.12 0.05 0.03 -0.59 1.01 -0.57 -1.58 121.20 120.68 1ds9 s ILE 82 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1ds9 s ILE 82 Cb -0.14 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.15 1ds9 s ILE 82 CO -0.06 -0.24 0.00 1.17 0.00 0.00 0.00 174.94 175.81 1ds9 n LYS 83 N 2.31 0.00 -3.06 2.79 4.81 -1.26 -3.69 118.16 120.06 1ds9 n LYS 83 Ca -0.18 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.07 1ds9 n LYS 83 Cb 0.57 -0.46 0.01 0.00 0.02 0.00 0.00 35.03 35.18 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 -2.00 2.87 -0.25 1.64 1.02 -1.26 -4.09 119.74 117.67 1ds9 s LYS 84 Ca 0.00 -1.04 -0.05 0.00 0.02 0.00 0.00 55.97 54.90 1ds9 s LYS 84 Cb 0.00 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1ds9 s LYS 84 CO 0.00 -0.26 0.00 -1.50 -0.92 0.00 0.00 175.35 172.67 1ds9 s ILE 85 N -2.39 3.56 0.00 2.17 -1.16 -1.26 -4.88 121.20 117.24 1ds9 s ILE 85 Ca 0.52 -0.61 0.00 0.00 -0.51 0.00 0.00 60.65 60.05 1ds9 s ILE 85 Cb -0.10 -2.73 0.00 0.00 0.61 0.00 0.00 42.46 40.24 1ds9 s ILE 85 CO 0.34 0.27 0.98 1.21 -2.81 0.00 0.00 174.94 174.93 1ds9 n GLU 86 N 4.81 0.00 0.00 3.50 4.07 -1.26 -4.96 120.64 126.80 1ds9 n GLU 86 Ca -0.17 -0.97 0.00 0.00 -0.06 0.00 0.00 57.16 55.96 1ds9 n GLU 86 Cb 0.49 0.49 0.00 0.00 -0.06 0.00 0.00 31.44 32.36 1ds9 n GLU 86 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1ds9 n ASN 87 N 0.00 0.00 0.32 4.31 6.94 -1.26 -4.56 115.26 121.00 1ds9 n ASN 87 Ca -0.27 0.00 0.19 0.00 -0.02 0.00 0.00 54.58 54.48 1ds9 n ASN 87 Cb 0.69 0.14 1.00 0.00 -2.36 0.00 0.00 39.78 39.25 1ds9 n ASN 87 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1ds9 h LEU 88 N 0.00 0.00 0.00 -4.53 -0.00 -1.94 -1.31 115.31 107.53 1ds9 h LEU 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1ds9 h LEU 88 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1ds9 h LEU 88 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 178.44 178.91 1ds9 n ASP 89 N -3.10 0.00 -0.27 -0.43 9.92 -1.26 0.58 116.55 121.99 1ds9 n ASP 89 Ca -0.02 0.75 -0.03 0.00 -0.53 0.00 0.00 54.79 54.96 1ds9 n ASP 89 Cb 0.24 -0.32 0.09 0.00 -0.64 0.00 0.00 41.12 40.48 1ds9 n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ds9 h ALA 90 N -2.00 0.99 -0.41 2.24 0.00 -1.86 -0.31 119.26 117.91 1ds9 h ALA 90 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ds9 h ALA 90 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1ds9 h ALA 90 CO 0.00 0.29 0.20 0.28 0.00 0.00 0.00 179.25 180.02 1ds9 h VAL 91 N 0.95 0.96 0.00 0.00 2.07 -1.30 0.15 116.25 119.08 1ds9 h VAL 91 Ca 0.30 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 1ds9 h VAL 91 Cb 0.00 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1ds9 h VAL 91 CO -0.11 0.07 -0.21 0.00 0.02 0.00 0.00 177.57 177.35 1ds9 h ALA 92 N 1.23 1.44 -0.26 1.67 0.00 0.89 0.57 119.26 124.80 1ds9 h ALA 92 Ca 0.18 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1ds9 h ALA 92 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ds9 h ALA 92 CO -0.14 0.26 -0.38 -0.44 0.00 0.00 0.00 179.25 178.55 1ds9 h ASP 93 N 0.00 0.64 0.00 0.00 3.32 0.73 -3.36 116.42 117.74 1ds9 h ASP 93 Ca -0.00 -0.27 -0.32 0.00 0.02 0.00 0.00 57.03 56.45 1ds9 h ASP 93 Cb 0.42 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.74 1ds9 h ASP 93 CO 0.03 0.95 -2.21 0.35 -1.72 0.00 0.00 179.24 176.64 1ds9 n THR 94 N -4.04 1.22 -0.66 0.35 -2.24 -0.66 -5.02 114.28 103.23 1ds9 n THR 94 Ca -0.01 -0.49 -0.28 0.00 -2.27 0.00 0.00 64.05 61.00 1ds9 n THR 94 Cb 0.50 -1.20 0.14 0.00 -2.10 0.00 0.00 70.33 67.68 1ds9 n THR 94 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ds9 n LEU 95 N -3.09 -2.07 0.00 3.22 7.99 0.20 -4.69 117.00 118.56 1ds9 n LEU 95 Ca -0.37 -0.21 0.00 0.00 -0.01 0.00 0.00 56.01 55.42 1ds9 n LEU 95 Cb 0.91 -0.82 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1ds9 n LEU 95 CO 0.22 -3.05 0.00 1.21 -1.51 0.00 0.00 177.39 174.26 1ds9 n GLU 96 N -1.36 0.00 -3.55 3.23 2.13 -0.97 -4.73 120.64 115.39 1ds9 n GLU 96 Ca 0.02 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.43 1ds9 n GLU 96 Cb 0.54 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.17 1ds9 n GLU 96 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1ds9 s GLU 97 N -1.66 2.64 -0.34 5.31 2.12 -0.67 -1.59 118.70 124.51 1ds9 s GLU 97 Ca 0.00 -1.97 0.02 0.00 0.36 0.00 0.00 54.97 53.38 1ds9 s GLU 97 Cb 0.00 -3.97 0.09 0.00 0.26 0.00 0.00 34.13 30.52 1ds9 s GLU 97 CO 0.00 -1.21 0.06 -1.17 -0.54 0.00 0.00 175.26 172.40 1ds9 s LEU 98 N 1.00 4.67 -0.31 2.70 1.98 -0.55 -0.89 118.68 127.28 1ds9 s LEU 98 Ca 0.09 -2.01 -0.21 0.00 -2.89 0.00 0.00 54.13 49.11 1ds9 s LEU 98 Cb -0.23 -1.66 -0.00 0.00 0.66 0.00 0.00 46.19 44.95 1ds9 s LEU 98 CO -0.02 -0.38 0.68 0.26 -1.89 0.00 0.00 176.35 174.99 1ds9 s TRP 99 N 0.99 3.20 -0.18 5.38 0.51 -0.33 -1.28 118.94 127.22 1ds9 s TRP 99 Ca 0.07 0.62 -0.01 0.00 -2.12 0.00 0.00 56.10 54.67 1ds9 s TRP 99 Cb -0.20 -3.07 0.05 0.00 -0.81 0.00 0.00 33.47 29.44 1ds9 s TRP 99 CO -0.07 -0.52 -0.03 0.42 -0.51 0.00 0.00 176.95 176.25 1ds9 s ILE 100 N 2.72 1.02 -0.05 2.03 1.01 0.15 -0.52 121.20 127.56 1ds9 s ILE 100 Ca 0.27 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1ds9 s ILE 100 Cb -0.15 -1.30 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 1ds9 s ILE 100 CO 0.12 -0.00 -0.02 0.28 0.00 0.00 0.00 174.94 175.32 1ds9 h SER 101 N 8.12 0.00 -3.22 3.58 0.02 -1.48 -3.04 113.55 117.53 1ds9 h SER 101 Ca -0.21 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.08 1ds9 h SER 101 Cb 1.11 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.31 1ds9 h SER 101 CO 0.38 0.26 -0.82 -0.47 -1.14 0.00 0.00 176.83 175.04 1ds9 s TYR 102 N -1.32 2.87 -0.06 3.45 6.14 0.18 0.77 117.35 129.39 1ds9 s TYR 102 Ca -0.01 -1.52 -0.02 0.00 0.64 0.00 0.00 57.07 56.15 1ds9 s TYR 102 Cb 0.00 -1.97 0.04 0.00 0.42 0.00 0.00 41.96 40.44 1ds9 s TYR 102 CO 0.02 -0.75 0.11 0.54 0.64 0.00 0.00 175.55 176.11 1ds9 s ASN 103 N 1.32 0.36 -0.23 4.32 4.22 -0.36 -0.12 114.94 124.45 1ds9 s ASN 103 Ca 0.04 0.21 -0.08 0.00 -2.14 0.00 0.00 52.86 50.90 1ds9 s ASN 103 Cb -0.14 0.10 -0.03 0.00 1.28 0.00 0.00 41.25 42.45 1ds9 s ASN 103 CO -0.10 -0.19 0.08 0.00 -2.04 0.00 0.00 177.10 174.85 1ds9 s GLN 104 N 1.60 3.78 0.25 3.55 -2.07 -0.77 0.36 119.66 126.36 1ds9 s GLN 104 Ca -0.04 -0.43 -0.06 0.00 -1.82 0.00 0.00 55.36 53.02 1ds9 s GLN 104 Cb -0.12 -3.31 -0.02 0.00 -1.09 0.00 0.00 33.01 28.47 1ds9 s GLN 104 CO -0.05 -0.04 0.34 0.96 -1.32 0.00 0.00 175.29 175.19 1ds9 s ILE 105 N 1.22 0.00 0.00 3.63 -4.36 -0.72 -1.50 121.20 119.47 1ds9 s ILE 105 Ca 0.05 -1.68 0.01 0.00 -0.26 0.00 0.00 60.65 58.77 1ds9 s ILE 105 Cb -0.14 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.19 1ds9 s ILE 105 CO 0.04 0.00 0.74 0.00 0.24 0.00 0.00 174.94 175.96 1ds9 n ALA 106 N -0.38 2.60 -2.92 2.27 0.00 -1.26 -4.24 120.51 116.58 1ds9 n ALA 106 Ca 0.01 -0.43 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 1ds9 n ALA 106 Cb 0.63 -0.19 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 1ds9 n ALA 106 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ds9 s SER 107 N -0.52 5.32 0.22 0.00 1.04 -1.26 -4.99 113.70 113.51 1ds9 s SER 107 Ca 0.02 -0.06 -0.06 0.00 0.48 0.00 0.00 55.95 56.33 1ds9 s SER 107 Cb 0.02 -1.92 0.21 0.00 0.10 0.00 0.00 66.02 64.42 1ds9 s SER 107 CO -0.01 0.09 1.73 -0.07 0.98 0.00 0.00 173.24 175.96 1ds9 h LEU 108 N 7.33 0.95 -0.39 2.42 -0.00 -1.99 -1.43 115.31 122.19 1ds9 h LEU 108 Ca -0.36 -0.22 -0.16 0.00 -0.00 0.00 0.00 57.88 57.14 1ds9 h LEU 108 Cb 1.18 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 1ds9 h LEU 108 CO 0.64 0.96 -0.40 0.28 -0.00 0.00 0.00 178.44 179.92 1ds9 h SER 109 N 0.93 1.00 0.71 -0.43 0.02 -1.98 -1.08 113.55 112.71 1ds9 h SER 109 Ca 0.19 -0.46 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 1ds9 h SER 109 Cb 0.43 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.69 1ds9 h SER 109 CO 0.01 1.27 -0.34 1.23 -1.14 0.00 0.00 176.83 177.86 1ds9 h GLY 110 N 0.78 -0.99 0.74 -3.77 0.00 -1.89 -1.54 103.07 96.40 1ds9 h GLY 110 Ca 0.06 0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.80 1ds9 h GLY 110 CO 0.10 -0.36 0.27 1.19 0.00 0.00 0.00 176.54 177.74 1ds9 h ILE 111 N -1.05 0.97 -0.01 2.60 -0.00 -1.31 0.09 117.51 118.80 1ds9 h ILE 111 Ca -0.10 -0.18 0.03 0.00 -0.00 0.00 0.00 64.86 64.61 1ds9 h ILE 111 Cb 0.75 0.40 -0.04 0.00 -0.00 0.00 0.00 36.82 37.93 1ds9 h ILE 111 CO 0.16 0.10 -0.23 -0.08 -0.00 0.00 0.00 178.15 178.10 1ds9 h GLU 112 N 0.53 -0.34 0.35 2.19 4.81 -1.09 0.03 114.58 121.06 1ds9 h GLU 112 Ca 0.23 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1ds9 h GLU 112 Cb 0.12 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1ds9 h GLU 112 CO -0.15 -0.23 -0.17 0.87 -0.73 0.00 0.00 179.01 178.60 1ds9 h LYS 113 N -0.36 -0.45 -0.91 1.92 1.79 -1.05 0.19 116.57 117.70 1ds9 h LYS 113 Ca 0.06 0.03 0.24 0.00 -2.18 0.00 0.00 60.65 58.81 1ds9 h LYS 113 Cb 0.44 0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 1ds9 h LYS 113 CO -0.21 -0.28 0.63 1.37 -1.08 0.00 0.00 179.45 179.88 1ds9 h LEU 114 N -1.11 0.18 0.05 2.94 8.10 -1.04 0.57 115.31 124.99 1ds9 h LEU 114 Ca -0.05 0.02 -0.27 0.00 0.11 0.00 0.00 57.88 57.69 1ds9 h LEU 114 Cb 0.39 -0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 40.57 1ds9 h LEU 114 CO 0.08 0.06 -1.40 1.62 -4.11 0.00 0.00 178.44 174.69 1ds9 h VAL 115 N 0.17 1.26 -0.00 0.15 3.04 -1.03 -3.19 116.25 116.65 1ds9 h VAL 115 Ca 0.46 -2.98 0.00 0.00 -1.01 0.00 0.00 66.70 63.17 1ds9 h VAL 115 Cb 1.52 2.69 -0.00 0.00 -2.01 0.00 0.00 31.29 33.49 1ds9 h VAL 115 CO -0.09 0.78 0.04 -1.13 -1.01 0.00 0.00 177.57 176.16 1ds9 h ASN 116 N 0.03 0.00 -1.69 3.17 -1.24 0.33 -3.44 115.58 112.74 1ds9 h ASN 116 Ca -0.18 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.61 1ds9 h ASN 116 Cb 1.93 0.00 0.12 0.00 0.73 0.00 0.00 38.32 41.11 1ds9 h ASN 116 CO 0.13 0.00 -0.55 -0.11 -1.29 0.00 0.00 177.43 175.60 1ds9 n LEU 117 N -3.14 -1.75 0.00 0.34 7.94 -0.58 -4.81 117.00 115.01 1ds9 n LEU 117 Ca -0.03 -0.24 0.00 0.00 -1.11 0.00 0.00 56.01 54.63 1ds9 n LEU 117 Cb 0.11 -0.70 0.00 0.00 0.53 0.00 0.00 43.42 43.36 1ds9 n LEU 117 CO 0.20 -2.89 0.05 0.54 -1.11 0.00 0.00 177.39 174.18 1ds9 n ARG 118 N -0.55 0.00 -3.97 1.96 5.12 -1.25 -4.46 116.66 113.51 1ds9 n ARG 118 Ca 0.03 0.41 -0.34 0.00 -1.93 0.00 0.00 57.85 56.02 1ds9 n ARG 118 Cb 0.34 -0.97 -0.14 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 -1.04 2.84 -0.07 1.55 0.11 -0.62 -1.13 120.40 122.04 1ds9 s VAL 119 Ca 0.00 -0.97 0.01 0.00 -2.93 0.00 0.00 61.98 58.09 1ds9 s VAL 119 Cb 0.00 -2.41 0.02 0.00 -1.53 0.00 0.00 36.38 32.46 1ds9 s VAL 119 CO 0.00 0.25 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.74 1ds9 s LEU 120 N 1.33 1.24 -0.12 2.54 0.20 -0.62 -1.47 118.68 121.78 1ds9 s LEU 120 Ca 0.01 -0.20 -0.12 0.00 0.69 0.00 0.00 54.13 54.51 1ds9 s LEU 120 Cb -0.16 -0.62 -0.05 0.00 -0.43 0.00 0.00 46.19 44.93 1ds9 s LEU 120 CO -0.05 -0.07 0.28 -0.31 -0.29 0.00 0.00 176.35 175.90 1ds9 s TYR 121 N 1.22 3.55 -0.38 5.38 1.51 -0.41 -1.29 117.35 126.93 1ds9 s TYR 121 Ca -0.06 0.66 0.02 0.00 -1.01 0.00 0.00 57.07 56.68 1ds9 s TYR 121 Cb -0.14 -2.23 0.15 0.00 -0.11 0.00 0.00 41.96 39.63 1ds9 s TYR 121 CO -0.02 0.44 0.30 -1.64 -1.11 0.00 0.00 175.55 173.52 1ds9 s MET 122 N -0.21 0.66 0.00 -0.62 -1.94 0.17 -0.67 119.30 116.69 1ds9 s MET 122 Ca 0.17 -1.35 0.24 0.00 -1.71 0.00 0.00 55.69 53.04 1ds9 s MET 122 Cb -0.13 -1.11 0.28 0.00 2.01 0.00 0.00 34.83 35.88 1ds9 s MET 122 CO 0.06 -1.25 1.26 -1.13 -0.01 0.00 0.00 175.02 173.95 1ds9 n SER 123 N 3.81 0.72 -2.84 3.03 3.41 -1.17 -1.21 113.62 119.36 1ds9 n SER 123 Ca 0.16 -0.54 -0.11 0.00 -0.26 0.00 0.00 58.87 58.11 1ds9 n SER 123 Cb 0.42 0.48 0.05 0.00 -0.26 0.00 0.00 64.21 64.90 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 -1.42 -1.74 -4.97 4.04 3.02 0.23 -2.66 115.26 111.76 1ds9 n ASN 124 Ca 0.05 -3.46 -0.21 0.00 -0.03 0.00 0.00 54.58 50.93 1ds9 n ASN 124 Cb 0.34 1.33 0.04 0.00 -0.61 0.00 0.00 39.78 40.87 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 -1.55 5.24 -0.28 6.41 2.20 0.28 -1.22 114.94 126.02 1ds9 s ASN 125 Ca 0.28 -0.01 -0.00 0.00 -0.94 0.00 0.00 52.86 52.18 1ds9 s ASN 125 Cb 0.28 -0.85 0.09 0.00 -2.00 0.00 0.00 41.25 38.77 1ds9 s ASN 125 CO -0.09 -1.17 0.05 -0.75 -2.94 0.00 0.00 177.10 172.19 1ds9 s LYS 126 N -4.78 0.99 -0.15 3.55 2.20 0.16 -3.81 119.74 117.89 1ds9 s LYS 126 Ca 0.58 -1.05 -0.11 0.00 -0.36 0.00 0.00 55.97 55.03 1ds9 s LYS 126 Cb -0.10 -2.29 0.05 0.00 -1.51 0.00 0.00 37.83 33.98 1ds9 s LYS 126 CO 0.39 -0.84 0.38 0.42 -0.36 0.00 0.00 175.35 175.34 1ds9 s ILE 127 N 1.52 -0.02 -0.10 5.43 1.01 -1.26 -1.76 121.20 126.03 1ds9 s ILE 127 Ca 0.05 0.06 0.17 0.00 0.00 0.00 0.00 60.65 60.93 1ds9 s ILE 127 Cb -0.18 -0.56 0.38 0.00 0.01 0.00 0.00 42.46 42.12 1ds9 s ILE 127 CO -0.16 0.02 1.18 0.35 0.00 0.00 0.00 174.94 176.33 1ds9 n THR 128 N 3.65 1.07 -1.89 2.92 -2.24 -1.26 0.22 114.28 116.75 1ds9 n THR 128 Ca -0.19 -1.97 -0.39 0.00 -2.27 0.00 0.00 64.05 59.23 1ds9 n THR 128 Cb 0.56 0.35 0.04 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.37 7.44 -0.31 3.42 3.02 -1.26 -4.79 115.26 122.41 1ds9 n ASN 129 Ca 0.12 -3.83 0.16 0.00 -0.03 0.00 0.00 54.58 50.99 1ds9 n ASN 129 Cb 0.88 -1.04 0.32 0.00 -0.61 0.00 0.00 39.78 39.34 1ds9 n ASN 129 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1ds9 h TRP 130 N 2.90 0.30 -0.40 3.10 7.01 -1.91 0.68 115.95 127.62 1ds9 h TRP 130 Ca 0.56 0.05 0.12 0.00 2.11 0.00 0.00 58.89 61.73 1ds9 h TRP 130 Cb 0.12 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 1ds9 h TRP 130 CO 1.19 -0.30 0.50 0.78 -2.79 0.00 0.00 178.44 177.82 1ds9 h GLY 131 N 0.13 0.00 0.00 2.65 0.00 -2.01 -1.65 103.07 102.19 1ds9 h GLY 131 Ca 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.91 1ds9 h GLY 131 CO -0.74 0.00 -0.77 1.18 0.00 0.00 0.00 176.54 176.21 1ds9 n GLU 132 N -3.55 0.03 -0.34 4.80 1.02 0.15 -4.72 120.64 118.03 1ds9 n GLU 132 Ca 0.07 0.01 0.18 0.00 -0.02 0.00 0.00 57.16 57.41 1ds9 n GLU 132 Cb 0.67 -0.54 0.39 0.00 -0.02 0.00 0.00 31.44 31.94 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 -0.05 0.52 -0.07 -3.67 1.08 0.06 0.39 117.51 115.76 1ds9 h ILE 133 Ca -0.02 -0.19 0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1ds9 h ILE 133 Cb 0.74 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 1ds9 h ILE 133 CO -0.01 0.10 -0.07 -0.78 -0.69 0.00 0.00 178.15 176.70 1ds9 h ASP 134 N 0.56 -0.23 0.05 1.72 3.58 -1.47 -0.99 116.42 119.64 1ds9 h ASP 134 Ca 0.65 0.03 -0.33 0.00 0.42 0.00 0.00 57.03 57.81 1ds9 h ASP 134 Cb 1.27 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 42.38 1ds9 h ASP 134 CO -0.49 -0.04 -1.84 0.29 -2.88 0.00 0.00 179.24 174.29 1ds9 n LYS 135 N -3.11 0.65 0.15 0.28 5.02 -1.09 -4.17 118.16 115.89 1ds9 n LYS 135 Ca -0.00 0.38 0.18 0.00 -2.02 0.00 0.00 58.31 56.84 1ds9 n LYS 135 Cb 0.04 -1.67 0.66 0.00 -0.02 0.00 0.00 35.03 34.04 1ds9 n LYS 135 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ds9 h LEU 136 N -0.51 0.00 -4.15 -0.35 5.85 -0.31 -1.81 115.31 114.02 1ds9 h LEU 136 Ca -0.45 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.04 1ds9 h LEU 136 Cb 1.67 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.65 1ds9 h LEU 136 CO -0.12 0.00 0.09 0.00 -0.34 0.00 0.00 178.44 178.07 1ds9 n ALA 137 N -2.11 6.25 -2.18 1.25 0.00 -0.37 -4.52 120.51 118.83 1ds9 n ALA 137 Ca 0.06 -1.92 -0.10 0.00 0.00 0.00 0.00 53.44 51.48 1ds9 n ALA 137 Cb 0.69 -2.43 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 1ds9 n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ds9 n ALA 138 N 2.64 -0.67 0.28 0.00 0.00 -1.06 -4.75 120.51 116.96 1ds9 n ALA 138 Ca 0.45 0.10 0.18 0.00 0.00 0.00 0.00 53.44 54.17 1ds9 n ALA 138 Cb 0.81 -1.25 0.99 0.00 0.00 0.00 0.00 19.45 19.99 1ds9 n ALA 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ds9 h LEU 139 N 0.00 0.00 -3.41 0.00 5.85 -1.55 0.10 115.31 116.30 1ds9 h LEU 139 Ca -0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1ds9 h LEU 139 Cb 1.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1ds9 h LEU 139 CO 0.28 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.48 1ds9 n ASP 140 N -2.80 5.37 0.00 1.25 5.68 -1.26 -4.73 116.55 120.07 1ds9 n ASP 140 Ca -0.02 -2.77 0.00 0.00 -0.50 0.00 0.00 54.79 51.50 1ds9 n ASP 140 Cb 0.09 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 1ds9 n ASP 140 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1ds9 n LYS 141 N 0.77 0.00 0.00 0.11 4.81 -0.32 -4.76 118.16 118.77 1ds9 n LYS 141 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1ds9 n LYS 141 Cb 1.09 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.14 1ds9 n LYS 141 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ds9 n LEU 142 N -2.50 0.00 0.00 3.14 0.00 0.21 0.83 117.00 118.69 1ds9 n LEU 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1ds9 n LEU 142 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1ds9 n LEU 142 CO 0.00 0.00 0.28 -0.62 0.00 0.00 0.00 177.39 177.05 1ds9 n GLU 143 N 0.00 0.00 -5.08 1.96 -0.58 -1.26 -3.87 120.64 111.82 1ds9 n GLU 143 Ca 0.00 0.34 -0.32 0.00 -0.42 0.00 0.00 57.16 56.76 1ds9 n GLU 143 Cb 0.00 -1.06 -0.16 0.00 -0.57 0.00 0.00 31.44 29.65 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 -2.56 3.42 -0.24 1.62 -1.08 -0.28 -1.33 116.67 116.22 1ds9 s ASP 144 Ca 0.00 -0.46 -0.18 0.00 -0.52 0.00 0.00 52.55 51.39 1ds9 s ASP 144 Cb 0.00 -1.30 0.07 0.00 -1.46 0.00 0.00 42.92 40.22 1ds9 s ASP 144 CO 0.00 0.19 0.61 -1.48 0.52 0.00 0.00 175.17 175.01 1ds9 s LEU 145 N 0.16 -0.47 -0.18 -1.34 2.34 -0.31 -1.59 118.68 117.28 1ds9 s LEU 145 Ca -0.11 1.26 -0.04 0.00 0.06 0.00 0.00 54.13 55.31 1ds9 s LEU 145 Cb -0.16 2.07 -0.02 0.00 -0.56 0.00 0.00 46.19 47.52 1ds9 s LEU 145 CO 0.06 -0.22 -0.04 -0.22 -1.06 0.00 0.00 176.35 174.88 1ds9 s LEU 146 N 0.84 3.12 -0.28 1.48 2.96 -0.41 -1.05 118.68 125.33 1ds9 s LEU 146 Ca -0.04 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1ds9 s LEU 146 Cb -0.05 -1.77 0.09 0.00 0.50 0.00 0.00 46.19 44.96 1ds9 s LEU 146 CO -0.07 0.10 0.07 -0.76 -1.32 0.00 0.00 176.35 174.37 1ds9 s LEU 147 N 0.80 2.08 -0.38 -0.68 1.02 -1.22 0.43 118.68 120.72 1ds9 s LEU 147 Ca -0.01 -1.42 0.12 0.00 0.02 0.00 0.00 54.13 52.83 1ds9 s LEU 147 Cb -0.15 -0.85 0.37 0.00 0.02 0.00 0.00 46.19 45.58 1ds9 s LEU 147 CO 0.02 -0.37 0.89 0.00 0.02 0.00 0.00 176.35 176.90 1ds9 n ALA 148 N 4.87 1.65 0.00 4.21 0.00 -0.35 -4.96 120.51 125.93 1ds9 n ALA 148 Ca -0.04 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.58 1ds9 n ALA 148 Cb 0.43 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.18 -1.28 0.00 0.00 0.00 -1.09 -4.35 105.19 98.65 1ds9 n GLY 149 Ca 0.16 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 0.14 1.61 0.23 -1.25 0.99 115.26 116.98 1ds9 n ASN 150 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.08 1ds9 n ASN 150 Cb 0.00 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.10 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 0.17 0.28 -0.53 0.13 -1.79 0.12 132.00 130.39 1ds9 h PRO 151 Ca 0.00 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1ds9 h PRO 151 Cb 0.00 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.10 1ds9 h PRO 151 CO 0.00 0.35 -0.20 1.25 -0.23 0.00 0.00 178.00 179.18 1ds9 h LEU 152 N 0.16 -0.51 -0.12 1.56 7.12 -0.59 0.82 115.31 123.76 1ds9 h LEU 152 Ca 0.03 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.07 1ds9 h LEU 152 Cb 0.41 0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 1ds9 h LEU 152 CO 0.03 -0.29 0.06 0.22 -0.13 0.00 0.00 178.44 178.32 1ds9 h TYR 153 N -0.46 0.18 -0.24 1.25 3.20 -1.83 -1.68 116.97 117.40 1ds9 h TYR 153 Ca -0.04 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.89 1ds9 h TYR 153 Cb 0.37 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1ds9 h TYR 153 CO -0.02 0.24 0.20 -0.91 -1.64 0.00 0.00 178.16 176.02 1ds9 h ASN 154 N 0.07 0.00 -0.11 -2.11 4.21 -0.74 -0.08 115.58 116.83 1ds9 h ASN 154 Ca 0.04 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.46 1ds9 h ASN 154 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1ds9 h ASN 154 CO -0.01 0.00 -0.30 0.44 -1.29 0.00 0.00 177.43 176.28 1ds9 h ASP 155 N 0.00 0.45 0.47 5.81 5.19 0.15 -3.28 116.42 125.21 1ds9 h ASP 155 Ca 0.11 -0.59 -0.01 0.00 -0.62 0.00 0.00 57.03 55.92 1ds9 h ASP 155 Cb 0.51 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 1ds9 h ASP 155 CO -0.00 0.96 -0.47 0.22 -3.12 0.00 0.00 179.24 176.83 1ds9 h TYR 156 N -0.04 -1.32 0.00 4.55 5.03 -0.23 -3.46 116.97 121.50 1ds9 h TYR 156 Ca -0.01 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1ds9 h TYR 156 Cb 0.91 0.51 0.00 0.00 1.55 0.00 0.00 36.73 39.70 1ds9 h TYR 156 CO 0.11 -0.63 0.00 1.63 -1.32 0.00 0.00 178.16 177.95 1ds9 n LYS 157 N -5.31 0.00 -0.23 1.82 4.76 -0.65 -4.72 118.16 113.84 1ds9 n LYS 157 Ca -0.11 0.00 0.30 0.00 -2.87 0.00 0.00 58.31 55.63 1ds9 n LYS 157 Cb 0.43 0.00 0.53 0.00 -1.84 0.00 0.00 35.03 34.15 1ds9 n LYS 157 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1ds9 h GLU 158 N 0.00 0.00 0.00 1.97 4.11 -1.68 -1.77 114.58 117.21 1ds9 h GLU 158 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 1ds9 h GLU 158 Cb 0.00 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 28.97 1ds9 h GLU 158 CO 0.00 0.00 -0.77 -1.71 0.07 0.00 0.00 179.01 176.60 1ds9 n ASN 159 N -3.41 0.37 0.00 3.06 2.85 -1.26 -4.77 115.26 112.10 1ds9 n ASN 159 Ca 0.24 -1.97 0.00 0.00 -0.11 0.00 0.00 54.58 52.73 1ds9 n ASN 159 Cb 1.45 -0.12 0.00 0.00 1.24 0.00 0.00 39.78 42.35 1ds9 n ASN 159 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1ds9 n ASN 160 N 0.32 2.09 -0.01 1.20 5.15 -0.68 -4.82 115.26 118.51 1ds9 n ASN 160 Ca -0.04 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.05 1ds9 n ASN 160 Cb 0.98 0.06 -0.16 0.00 -0.53 0.00 0.00 39.78 40.13 1ds9 n ASN 160 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ds9 n ALA 161 N -1.80 3.25 0.16 5.20 0.00 -1.13 -4.21 120.51 121.97 1ds9 n ALA 161 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 53.44 52.77 1ds9 n ALA 161 Cb 0.25 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 1ds9 n ALA 161 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ds9 h THR 162 N 0.00 0.59 -0.20 0.00 2.02 -1.86 0.57 112.91 114.03 1ds9 h THR 162 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1ds9 h THR 162 Cb 0.88 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1ds9 h THR 162 CO 0.00 0.00 0.03 0.28 0.37 0.00 0.00 175.52 176.20 1ds9 h SER 163 N -0.43 0.25 0.22 4.18 0.02 -1.84 -0.04 113.55 115.92 1ds9 h SER 163 Ca -0.01 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 1ds9 h SER 163 Cb 0.39 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1ds9 h SER 163 CO -0.02 0.28 -0.46 -0.33 -1.14 0.00 0.00 176.83 175.17 1ds9 h GLU 164 N 0.28 0.29 0.57 3.45 4.39 -1.46 -1.26 114.58 120.84 1ds9 h GLU 164 Ca 0.07 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1ds9 h GLU 164 Cb 0.15 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1ds9 h GLU 164 CO -0.00 0.69 -0.27 1.88 -1.16 0.00 0.00 179.01 180.15 1ds9 h TYR 165 N 0.23 -0.71 0.04 4.33 0.05 0.20 0.41 116.97 121.53 1ds9 h TYR 165 Ca 0.02 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.80 1ds9 h TYR 165 Cb 0.90 0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.83 1ds9 h TYR 165 CO 0.02 -0.38 -0.24 -0.09 -1.05 0.00 0.00 178.16 176.42 1ds9 h ARG 166 N -0.97 -0.38 -0.16 4.88 1.12 -1.27 0.43 114.38 118.02 1ds9 h ARG 166 Ca -0.08 0.03 0.02 0.00 -1.11 0.00 0.00 59.98 58.83 1ds9 h ARG 166 Cb 0.65 0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.68 1ds9 h ARG 166 CO 0.13 -0.26 0.05 0.82 -3.11 0.00 0.00 179.97 177.60 1ds9 h ILE 167 N -0.40 0.95 -0.28 1.20 2.04 -1.24 -1.14 117.51 118.65 1ds9 h ILE 167 Ca 0.05 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1ds9 h ILE 167 Cb 0.46 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1ds9 h ILE 167 CO -0.19 0.02 0.19 -0.08 0.00 0.00 0.00 178.15 178.09 1ds9 h GLU 168 N 0.12 0.34 0.11 2.37 4.81 0.25 0.19 114.58 122.77 1ds9 h GLU 168 Ca 0.07 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1ds9 h GLU 168 Cb 0.05 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1ds9 h GLU 168 CO -0.08 0.22 -0.05 0.28 -0.73 0.00 0.00 179.01 178.66 1ds9 h VAL 169 N 0.35 0.00 -0.00 0.32 2.07 0.10 -0.80 116.25 118.29 1ds9 h VAL 169 Ca 0.11 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1ds9 h VAL 169 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1ds9 h VAL 169 CO -0.02 0.00 0.05 1.62 0.02 0.00 0.00 177.57 179.24 1ds9 h VAL 170 N -0.18 0.01 0.01 2.57 3.04 -1.22 0.37 116.25 120.85 1ds9 h VAL 170 Ca -0.02 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1ds9 h VAL 170 Cb 0.11 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 1ds9 h VAL 170 CO 0.03 0.00 -0.01 0.50 -1.01 0.00 0.00 177.57 177.08 1ds9 h LYS 171 N 0.00 -0.02 0.00 4.17 3.64 -0.46 -3.43 116.57 120.48 1ds9 h LYS 171 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1ds9 h LYS 171 Cb 0.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1ds9 h LYS 171 CO -0.00 -0.01 -1.88 0.54 -2.27 0.00 0.00 179.45 175.83 1ds9 n ARG 172 N -2.21 0.63 -3.33 1.90 1.74 -0.32 -4.91 116.66 110.16 1ds9 n ARG 172 Ca -0.00 -0.15 -0.40 0.00 -0.77 0.00 0.00 57.85 56.53 1ds9 n ARG 172 Cb 0.01 -1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 29.92 1ds9 n ARG 172 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ds9 s LEU 173 N -4.39 4.16 -0.19 0.55 1.43 0.13 -4.96 118.68 115.41 1ds9 s LEU 173 Ca -0.07 0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 52.99 1ds9 s LEU 173 Cb 0.11 -2.49 -0.20 0.00 0.03 0.00 0.00 46.19 43.63 1ds9 s LEU 173 CO 0.76 -0.29 0.31 1.55 0.23 0.00 0.00 176.35 178.91 1ds9 h PRO 174 N 8.25 0.01 0.00 1.29 0.13 -1.92 -3.36 132.00 136.40 1ds9 h PRO 174 Ca -0.30 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1ds9 h PRO 174 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ds9 h PRO 174 CO 0.69 1.01 0.00 0.09 -0.23 0.00 0.00 178.00 179.56 1ds9 n ASN 175 N -4.44 0.00 -4.13 1.44 3.02 -1.26 -4.51 115.26 105.38 1ds9 n ASN 175 Ca -0.29 0.06 -0.58 0.00 -0.03 0.00 0.00 54.58 53.74 1ds9 n ASN 175 Cb 0.66 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.72 1ds9 n ASN 175 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ds9 n LEU 176 N -0.07 0.77 -0.04 3.41 -0.00 0.24 -4.73 117.00 116.58 1ds9 n LEU 176 Ca 0.00 0.71 -0.17 0.00 -0.00 0.00 0.00 56.01 56.54 1ds9 n LEU 176 Cb 0.00 -0.86 -0.14 0.00 -0.00 0.00 0.00 43.42 42.42 1ds9 n LEU 176 CO 0.00 -0.75 -0.92 1.17 -0.00 0.00 0.00 177.39 176.90 1ds9 n LYS 177 N 6.82 0.70 -3.87 1.47 3.00 -0.46 -4.70 118.16 121.13 1ds9 n LYS 177 Ca 0.50 0.22 -0.29 0.00 -0.00 0.00 0.00 58.31 58.74 1ds9 n LYS 177 Cb -0.04 -1.66 -0.13 0.00 0.00 0.00 0.00 35.03 33.20 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 -2.55 2.10 -1.17 1.64 2.47 -0.45 -4.90 119.74 116.89 1ds9 s LYS 178 Ca -0.21 -2.91 -0.10 0.00 -1.56 0.00 0.00 55.97 51.19 1ds9 s LYS 178 Cb 0.07 -3.18 0.23 0.00 -1.46 0.00 0.00 37.83 33.50 1ds9 s LYS 178 CO 0.75 -1.22 1.38 -0.11 0.16 0.00 0.00 175.35 176.30 1ds9 n LEU 179 N 2.55 5.71 -2.85 5.43 7.94 -1.26 -1.16 117.00 133.36 1ds9 n LEU 179 Ca 0.14 -4.83 -0.05 0.00 -1.11 0.00 0.00 56.01 50.17 1ds9 n LEU 179 Cb 0.35 -1.49 0.01 0.00 0.53 0.00 0.00 43.42 42.81 1ds9 n LEU 179 CO 0.28 1.20 0.14 -0.67 -1.11 0.00 0.00 177.39 177.23 1ds9 n ASP 180 N 3.60 -7.63 0.00 1.96 2.03 -0.22 -4.30 116.55 111.99 1ds9 n ASP 180 Ca 0.31 0.32 0.01 0.00 0.52 0.00 0.00 54.79 55.95 1ds9 n ASP 180 Cb 0.39 -5.17 0.08 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 -0.78 -1.00 0.26 0.27 0.00 -1.26 -4.25 105.19 98.43 1ds9 n GLY 181 Ca 0.08 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.23 -0.93 1.61 2.86 -1.95 -1.11 114.93 115.63 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 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1ds9 h MET 182 CO 0.00 0.15 0.00 -0.35 1.06 0.00 0.00 176.91 177.77 1ds9 n PRO 183 N -5.18 1.09 0.18 -0.22 -0.04 -1.26 -4.44 135.00 125.13 1ds9 n PRO 183 Ca 0.12 -0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.41 1ds9 n PRO 183 Cb 0.42 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 1ds9 n PRO 183 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ds9 h VAL 184 N 0.09 0.00 -5.21 0.52 2.07 -1.52 -3.43 116.25 108.77 1ds9 h VAL 184 Ca 0.00 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.14 1ds9 h VAL 184 Cb 0.50 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1ds9 h VAL 184 CO 0.01 0.00 -0.56 -0.67 0.02 0.00 0.00 177.57 176.37 1ds9 n ASP 185 N -4.08 -4.17 -1.89 0.57 -0.08 -1.26 -0.96 116.55 104.67 1ds9 n ASP 185 Ca -0.07 -0.35 -0.07 0.00 -1.51 0.00 0.00 54.79 52.79 1ds9 n ASP 185 Cb 0.26 -3.44 -0.02 0.00 2.34 0.00 0.00 41.12 40.27 1ds9 n ASP 185 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1ds9 n VAL 186 N -4.03 -0.19 -0.05 5.18 0.24 -1.26 -4.72 118.33 113.50 1ds9 n VAL 186 Ca -0.04 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.27 1ds9 n VAL 186 Cb 0.56 -0.90 -0.16 0.00 -1.47 0.00 0.00 33.84 31.87 1ds9 n VAL 186 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1ds9 n ASP 187 N -0.84 0.23 0.10 -1.34 -0.08 -0.14 -4.21 116.55 110.27 1ds9 n ASP 187 Ca -0.08 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.37 1ds9 n ASP 187 Cb 0.42 1.47 0.72 0.00 2.34 0.00 0.00 41.12 46.07 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 -0.00 -0.67 -0.00 -1.84 1.05 114.58 113.12 1ds9 h GLU 188 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.10 1ds9 h GLU 188 Cb 1.56 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.31 1ds9 h GLU 188 CO 0.01 0.00 -0.00 -2.13 -0.00 0.00 0.00 179.01 176.89 1ds9 n ARG 189 N -4.20 0.83 0.06 1.06 3.00 -1.26 -2.46 116.66 113.69 1ds9 n ARG 189 Ca 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1ds9 n ARG 189 Cb 0.45 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.41 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 -1.06 0.00 0.08 -0.14 1.02 0.31 -4.38 120.64 116.47 1ds9 n GLU 190 Ca 0.21 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.22 1ds9 n GLU 190 Cb 0.16 -0.41 -0.09 0.00 -0.02 0.00 0.00 31.44 31.09 1ds9 n GLU 190 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ds9 h GLN 191 N 0.00 -0.19 0.00 3.49 1.08 -0.21 -0.64 115.11 118.63 1ds9 h GLN 191 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1ds9 h GLN 191 Cb 0.00 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1ds9 h GLN 191 CO 0.00 0.15 0.00 0.00 -0.95 0.00 0.00 178.83 178.03 1ds9 h ALA 192 N 0.21 1.00 0.17 3.87 0.00 -1.57 -0.64 119.26 122.31 1ds9 h ALA 192 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 1ds9 h ALA 192 Cb 0.43 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ds9 h ALA 192 CO 0.03 0.00 -1.22 -0.97 0.00 0.00 0.00 179.25 177.09 1ds9 h ASN 193 N 0.00 0.77 0.21 0.00 -0.73 -1.26 0.52 115.58 115.09 1ds9 h ASN 193 Ca 0.00 -0.88 -0.11 0.00 1.87 0.00 0.00 56.30 57.18 1ds9 h ASN 193 Cb 0.41 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1ds9 h ASN 193 CO 0.00 1.59 -0.41 0.58 -0.37 0.00 0.00 177.43 178.82 1ds9 h VAL 194 N 0.08 1.31 0.02 2.57 2.07 -0.74 -1.48 116.25 120.08 1ds9 h VAL 194 Ca -0.20 -1.52 -0.23 0.00 0.82 0.00 0.00 66.70 65.56 1ds9 h VAL 194 Cb 1.93 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 1ds9 h VAL 194 CO 0.23 0.46 -1.17 0.00 0.02 0.00 0.00 177.57 177.11 1ds9 h ALA 195 N 1.35 0.40 -0.07 1.67 0.00 -1.11 0.80 119.26 122.30 1ds9 h ALA 195 Ca 0.02 -1.01 -0.01 0.00 0.00 0.00 0.00 54.91 53.91 1ds9 h ALA 195 Cb 0.82 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ds9 h ALA 195 CO 0.06 1.28 0.01 0.00 0.00 0.00 0.00 179.25 180.61 1ds9 h ARG 196 N 0.01 0.11 0.00 0.00 3.08 0.37 -3.41 114.38 114.55 1ds9 h ARG 196 Ca -0.08 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 1ds9 h ARG 196 Cb 1.84 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 31.77 1ds9 h ARG 196 CO 0.13 0.33 -0.25 0.41 -1.07 0.00 0.00 179.97 179.52 1ds9 n GLY 197 N -0.43 0.59 3.58 0.04 0.00 -0.60 -5.07 105.19 103.30 1ds9 n GLY 197 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ds9 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93