#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b n ARG 3 N 0.00 0.00 0.00 1.61 1.74 -1.26 -4.25 116.66 114.50 3i9b n ARG 3 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i9b n ARG 3 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i9b n ARG 3 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3i9b n TYR 4 N 0.00 0.00 -2.49 -1.55 9.36 -1.26 -4.65 117.16 116.57 3i9b n TYR 4 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3i9b n TYR 4 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3i9b n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3i9b n ILE 5 N -0.00 0.00 -3.85 2.97 2.08 -1.26 -4.78 119.36 114.52 3i9b n ILE 5 Ca 0.00 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.26 3i9b n ILE 5 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 38.90 3i9b n ILE 5 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3i9b s GLY 6 N -3.18 0.12 -0.41 7.39 0.00 -1.26 -5.11 107.32 104.88 3i9b s GLY 6 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 44.72 43.92 3i9b s GLY 6 CO 0.00 1.36 1.85 -1.05 0.00 0.00 0.00 173.10 175.26 3i9b n PRO 7 N -0.62 0.51 -0.11 2.90 -0.02 -1.26 -4.87 135.00 131.53 3i9b n PRO 7 Ca -0.05 0.17 -0.19 0.00 -2.02 0.00 0.00 63.50 61.41 3i9b n PRO 7 Cb 0.60 -1.82 -0.12 0.00 -0.02 0.00 0.00 33.50 32.13 3i9b n PRO 7 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3i9b n VAL 8 N 5.18 1.54 0.91 -1.45 0.24 -1.26 -4.36 118.33 119.13 3i9b n VAL 8 Ca 0.36 -0.57 0.01 0.00 -2.04 0.00 0.00 64.34 62.10 3i9b n VAL 8 Cb 0.04 -1.50 0.04 0.00 -1.47 0.00 0.00 33.84 30.95 3i9b n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i9b n ARG 10 N -0.54 0.10 -0.05 0.00 1.85 -1.26 -2.89 116.66 113.87 3i9b n ARG 10 Ca 0.01 -0.06 -0.05 0.00 -1.00 0.00 0.00 57.85 56.76 3i9b n ARG 10 Cb 0.00 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 29.85 3i9b n ARG 10 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3i9b n LEU 11 N -1.40 0.34 0.05 2.89 4.77 0.45 -3.28 117.00 120.83 3i9b n LEU 11 Ca 0.06 -0.01 0.21 0.00 -0.03 0.00 0.00 56.01 56.25 3i9b n LEU 11 Cb 0.34 0.15 0.67 0.00 -2.33 0.00 0.00 43.42 42.25 3i9b n LEU 11 CO 0.33 0.28 1.19 0.00 -1.33 0.00 0.00 177.39 177.86 3i9b n ARG 13 N -3.51 2.13 0.00 0.00 1.74 -1.14 -4.00 116.66 111.88 3i9b n ARG 13 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3i9b n ARG 13 Cb 0.81 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.25 3i9b n ARG 13 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3i9b n ARG 14 N 0.00 0.00 -3.79 5.56 0.63 -1.20 -4.31 116.66 113.55 3i9b n ARG 14 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 3i9b n ARG 14 Cb 0.00 -0.11 -0.13 0.00 0.45 0.00 0.00 32.46 32.67 3i9b n ARG 14 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 3i9b s GLU 15 N 0.00 1.77 0.00 -0.14 1.03 -1.26 -4.37 118.70 115.72 3i9b s GLU 15 Ca 0.00 -2.57 0.00 0.00 0.03 0.00 0.00 54.97 52.43 3i9b s GLU 15 Cb 0.00 -2.80 0.00 0.00 -0.80 0.00 0.00 34.13 30.53 3i9b s GLU 15 CO 0.00 -1.21 0.00 0.41 -1.33 0.00 0.00 175.26 173.13 3i9b n GLY 16 N 2.88 0.00 0.00 -3.83 0.00 -1.26 -4.49 105.19 98.49 3i9b n GLY 16 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3i9b n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i9b n VAL 17 N 0.00 0.00 -2.63 1.61 0.31 -1.26 -4.62 118.33 111.74 3i9b n VAL 17 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 3i9b n VAL 17 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 3i9b n VAL 17 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i9b s LYS 18 N 0.00 4.75 -0.76 5.55 2.20 -1.26 -4.82 119.74 125.41 3i9b s LYS 18 Ca 0.00 1.62 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 3i9b s LYS 18 Cb 0.00 -3.25 0.19 0.00 -1.51 0.00 0.00 37.83 33.26 3i9b s LYS 18 CO 0.00 0.36 0.59 -0.48 -0.36 0.00 0.00 175.35 175.46 3i9b s LEU 19 N -1.17 5.19 0.00 5.43 0.05 -1.26 -4.95 118.68 121.97 3i9b s LEU 19 Ca 0.43 -3.52 0.00 0.00 0.05 0.00 0.00 54.13 51.09 3i9b s LEU 19 Cb -0.28 -1.80 0.00 0.00 -2.05 0.00 0.00 46.19 42.05 3i9b s LEU 19 CO 0.36 -0.20 0.00 -1.22 -0.55 0.00 0.00 176.35 174.74 3i9b n TYR 20 N 2.53 0.00 0.00 3.48 4.02 -1.26 -4.70 117.16 121.23 3i9b n TYR 20 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 3i9b n TYR 20 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 3i9b n TYR 20 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 3i9b n LEU 21 N 0.00 2.76 -0.23 7.72 -0.00 -1.26 -4.68 117.00 121.31 3i9b n LEU 21 Ca 0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 56.01 56.00 3i9b n LEU 21 Cb 0.00 -0.03 0.05 0.00 -0.00 0.00 0.00 43.42 43.44 3i9b n LEU 21 CO 0.00 -0.03 1.14 0.11 -0.00 0.00 0.00 177.39 178.61 3i9b h LYS 22 N 0.00 0.82 -2.32 1.47 1.57 -1.84 -3.43 116.57 112.84 3i9b h LYS 22 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3i9b h LYS 22 Cb 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.13 3i9b h LYS 22 CO 0.00 0.54 0.00 0.41 -0.57 0.00 0.00 179.45 179.83 3i9b n GLY 23 N -1.28 0.21 0.00 3.86 0.00 -1.26 -4.71 105.19 102.01 3i9b n GLY 23 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3i9b n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i9b n GLU 24 N -0.87 0.00 0.00 1.61 -0.58 -1.26 -4.89 120.64 114.65 3i9b n GLU 24 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i9b n GLU 24 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.26 3i9b n GLU 24 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3i9b n ARG 25 N 0.00 0.00 -1.26 3.49 0.63 -1.26 -0.75 116.66 117.51 3i9b n ARG 25 Ca 0.00 0.67 -0.32 0.00 -0.92 0.00 0.00 57.85 57.28 3i9b n ARG 25 Cb 0.00 -1.45 -0.07 0.00 0.45 0.00 0.00 32.46 31.39 3i9b n ARG 25 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i9b n TYR 27 N 3.19 0.00 0.00 0.00 9.36 0.07 -4.06 117.16 125.72 3i9b n TYR 27 Ca 0.69 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.91 3i9b n TYR 27 Cb 0.42 0.18 0.00 0.00 -0.63 0.00 0.00 39.34 39.31 3i9b n TYR 27 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3i9b n SER 28 N 0.00 0.00 -0.04 2.98 3.41 -0.64 -4.71 113.62 114.63 3i9b n SER 28 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 3i9b n SER 28 Cb 0.47 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 3i9b n SER 28 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3i9b n PRO 29 N -0.20 0.21 -2.47 4.33 -0.04 -1.26 -4.40 135.00 131.17 3i9b n PRO 29 Ca 0.00 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 3i9b n PRO 29 Cb 0.00 -0.88 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 3i9b n PRO 29 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3i9b s LYS 30 N -1.77 3.71 0.00 0.54 1.02 -1.26 -4.86 119.74 117.12 3i9b s LYS 30 Ca -0.12 0.86 0.00 0.00 0.02 0.00 0.00 55.97 56.73 3i9b s LYS 30 Cb 0.02 -3.95 0.00 0.00 -0.52 0.00 0.00 37.83 33.38 3i9b s LYS 30 CO 0.17 -1.40 0.00 0.00 -0.92 0.00 0.00 175.35 173.20 3i9b n ALA 32 N -3.00 0.00 -1.00 0.00 0.00 -1.26 -4.42 120.51 110.82 3i9b n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i9b n ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i9b n ALA 32 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i9b n MET 33 N 0.00 3.15 -2.37 0.00 2.81 -1.25 -4.42 117.12 115.05 3i9b n MET 33 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 3i9b n MET 33 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 3i9b n MET 33 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3i9b n GLU 34 N 0.00 -4.47 0.00 0.03 -0.58 -1.26 -4.00 120.64 110.35 3i9b n GLU 34 Ca 0.00 3.26 0.00 0.00 -0.42 0.00 0.00 57.16 60.00 3i9b n GLU 34 Cb 0.00 -4.22 0.00 0.00 -0.57 0.00 0.00 31.44 26.65 3i9b n GLU 34 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3i9b n ARG 35 N 1.88 0.00 -3.40 3.49 1.74 -1.26 -4.49 116.66 114.62 3i9b n ARG 35 Ca -0.06 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.57 3i9b n ARG 35 Cb 0.09 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.49 3i9b n ARG 35 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i9b s ARG 36 N 0.00 3.45 -0.11 5.56 1.81 -1.26 -4.88 118.95 123.53 3i9b s ARG 36 Ca 0.00 -2.52 0.17 0.00 -1.72 0.00 0.00 55.73 51.66 3i9b s ARG 36 Cb 0.00 -4.31 0.65 0.00 -0.45 0.00 0.00 34.95 30.84 3i9b s ARG 36 CO 0.00 -1.27 1.56 -2.30 -0.68 0.00 0.00 175.30 172.61 3i9b n PRO 37 N 3.81 3.54 -4.45 3.54 -0.02 -1.26 -3.76 135.00 136.40 3i9b n PRO 37 Ca 0.13 -2.78 -0.31 0.00 -2.02 0.00 0.00 63.50 58.52 3i9b n PRO 37 Cb 0.45 -1.81 -0.11 0.00 -0.02 0.00 0.00 33.50 32.01 3i9b n PRO 37 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3i9b s TYR 38 N -1.86 2.75 0.85 6.00 -0.00 -1.26 -4.53 117.35 119.29 3i9b s TYR 38 Ca 0.47 -0.14 -0.17 0.00 -0.00 0.00 0.00 57.07 57.23 3i9b s TYR 38 Cb 0.31 -1.51 -0.15 0.00 -0.00 0.00 0.00 41.96 40.60 3i9b s TYR 38 CO 0.22 0.35 -0.58 -2.30 -0.00 0.00 0.00 175.55 173.24 3i9b n PRO 39 N 1.30 0.00 0.00 -3.49 -0.02 -1.24 -4.65 135.00 126.90 3i9b n PRO 39 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3i9b n PRO 39 Cb 0.52 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 3i9b n PRO 39 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3i9b n PRO 40 N 2.12 2.05 -0.92 0.52 -0.02 -1.26 -4.24 135.00 133.25 3i9b n PRO 40 Ca 0.01 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.59 3i9b n PRO 40 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.98 3i9b n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9b n GLY 41 N 0.00 -1.24 0.17 -1.23 0.00 -1.26 -2.41 105.19 99.22 3i9b n GLY 41 Ca 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 3i9b n GLY 41 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3i9b h GLN 42 N -1.06 0.53 -0.41 1.61 3.07 -2.00 -2.64 115.11 114.20 3i9b h GLN 42 Ca -0.03 -0.57 0.00 0.00 0.09 0.00 0.00 58.65 58.14 3i9b h GLN 42 Cb 1.19 0.16 0.00 0.00 0.08 0.00 0.00 27.48 28.91 3i9b h GLN 42 CO 0.02 1.20 0.00 0.72 0.09 0.00 0.00 178.83 180.85 3i9b n HIS 43 N -3.79 0.00 0.23 0.06 8.25 -1.26 -3.65 115.22 115.06 3i9b n HIS 43 Ca -0.08 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.43 3i9b n HIS 43 Cb 0.85 -0.04 0.52 0.00 1.12 0.00 0.00 29.99 32.44 3i9b n HIS 43 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3i9b h GLY 44 N 5.36 0.00 -7.50 -1.41 0.00 -1.11 -3.34 103.07 95.07 3i9b h GLY 44 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3i9b h GLY 44 CO 0.00 0.00 -0.51 -0.86 0.00 0.00 0.00 176.54 175.17 3i9b s GLN 45 N -4.63 2.18 0.10 4.80 -2.07 -1.24 -3.67 119.66 115.14 3i9b s GLN 45 Ca -0.04 -2.39 -0.25 0.00 -1.82 0.00 0.00 55.36 50.86 3i9b s GLN 45 Cb 0.16 -3.52 0.08 0.00 -1.09 0.00 0.00 33.01 28.64 3i9b s GLN 45 CO 0.69 -1.11 0.70 0.15 -1.32 0.00 0.00 175.29 174.40 3i9b s LYS 46 N 0.14 1.13 0.42 9.60 1.02 -1.25 -5.13 119.74 125.65 3i9b s LYS 46 Ca 0.15 -0.42 -0.25 0.00 0.02 0.00 0.00 55.97 55.48 3i9b s LYS 46 Cb -0.22 0.52 -0.10 0.00 -0.52 0.00 0.00 37.83 37.50 3i9b s LYS 46 CO -0.03 -0.49 1.05 0.54 -0.92 0.00 0.00 175.35 175.50 3i9b n ARG 47 N -0.33 1.44 -3.95 1.68 5.12 -1.26 -4.96 116.66 114.39 3i9b n ARG 47 Ca -0.14 0.52 -0.26 0.00 -1.93 0.00 0.00 57.85 56.04 3i9b n ARG 47 Cb 0.64 -2.10 -0.03 0.00 -1.16 0.00 0.00 32.46 29.81 3i9b n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i9b s ALA 48 N -1.26 3.96 -0.04 7.54 0.00 -1.26 -5.10 121.76 125.61 3i9b s ALA 48 Ca 0.63 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 3i9b s ALA 48 Cb -0.55 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 3i9b s ALA 48 CO 0.57 0.53 0.40 1.03 0.00 0.00 0.00 175.76 178.29 3i9b s ARG 49 N -3.25 4.01 -0.22 0.00 1.81 -1.26 -5.01 118.95 115.03 3i9b s ARG 49 Ca 0.34 0.38 -0.41 0.00 -1.72 0.00 0.00 55.73 54.32 3i9b s ARG 49 Cb -0.11 -3.27 -0.17 0.00 -0.45 0.00 0.00 34.95 30.94 3i9b s ARG 49 CO 0.28 0.56 1.55 0.54 -0.68 0.00 0.00 175.30 177.55 3i9b n ARG 50 N 2.29 0.74 -1.74 3.54 1.74 -1.26 -4.81 116.66 117.16 3i9b n ARG 50 Ca -0.13 0.27 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 3i9b n ARG 50 Cb 0.52 -1.88 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 3i9b n ARG 50 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3i9b n PRO 51 N 4.00 2.66 -3.02 5.56 -0.02 -1.26 -4.97 135.00 137.95 3i9b n PRO 51 Ca 0.25 0.94 -0.39 0.00 -2.02 0.00 0.00 63.50 62.28 3i9b n PRO 51 Cb 0.09 -2.72 -0.06 0.00 -0.02 0.00 0.00 33.50 30.79 3i9b n PRO 51 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3i9b s SER 52 N 0.48 7.35 0.15 2.55 1.04 -1.26 -4.81 113.70 119.19 3i9b s SER 52 Ca 0.64 1.59 0.06 0.00 0.48 0.00 0.00 55.95 58.73 3i9b s SER 52 Cb -0.51 -2.48 0.49 0.00 0.10 0.00 0.00 66.02 63.62 3i9b s SER 52 CO 0.49 0.21 0.67 -0.67 0.98 0.00 0.00 173.24 174.92 3i9b n ASP 53 N 1.66 0.08 0.07 7.02 2.03 -1.26 0.76 116.55 126.91 3i9b n ASP 53 Ca -0.06 0.71 -0.04 0.00 0.52 0.00 0.00 54.79 55.92 3i9b n ASP 53 Cb 0.49 -0.32 -0.02 0.00 -0.72 0.00 0.00 41.12 40.55 3i9b n ASP 53 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 3i9b h TYR 54 N 0.00 -0.24 -1.38 -0.67 3.20 -2.01 -3.30 116.97 112.58 3i9b h TYR 54 Ca 0.33 -0.01 0.40 0.00 3.14 0.00 0.00 58.73 62.59 3i9b h TYR 54 Cb 0.81 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 39.09 3i9b h TYR 54 CO -0.08 -0.15 0.97 0.00 -1.64 0.00 0.00 178.16 177.27 3i9b h ALA 55 N -1.20 3.18 0.50 1.82 0.00 -0.02 -1.12 119.26 122.41 3i9b h ALA 55 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3i9b h ALA 55 Cb 0.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3i9b h ALA 55 CO 0.04 -1.61 -0.24 0.28 0.00 0.00 0.00 179.25 177.73 3i9b h VAL 56 N 0.05 0.00 0.00 0.00 2.07 -1.05 -2.94 116.25 114.38 3i9b h VAL 56 Ca 0.69 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.99 3i9b h VAL 56 Cb 2.59 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 3i9b h VAL 56 CO -0.08 0.00 -0.21 0.08 0.02 0.00 0.00 177.57 177.38 3i9b h ARG 57 N -0.83 0.00 0.00 1.57 0.11 -1.43 -2.58 114.38 111.21 3i9b h ARG 57 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 3i9b h ARG 57 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 3i9b h ARG 57 CO 0.11 0.21 0.00 -0.11 0.10 0.00 0.00 179.97 180.28 3i9b n LEU 58 N -3.99 0.00 -0.54 0.08 0.00 -0.50 -1.40 117.00 110.65 3i9b n LEU 58 Ca -0.02 0.97 0.45 0.00 0.00 0.00 0.00 56.01 57.41 3i9b n LEU 58 Cb 0.29 -0.47 0.70 0.00 0.00 0.00 0.00 43.42 43.94 3i9b n LEU 58 CO 0.34 -0.47 1.42 0.03 0.00 0.00 0.00 177.39 178.71 3i9b h ARG 59 N 0.00 0.00 0.07 1.96 2.47 -1.37 1.98 114.38 119.48 3i9b h ARG 59 Ca 0.00 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.47 3i9b h ARG 59 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3i9b h ARG 59 CO 0.00 0.00 -1.09 1.49 0.56 0.00 0.00 179.97 180.93 3i9b h GLU 60 N 0.00 0.33 -0.47 0.04 4.57 -1.01 -2.02 114.58 116.01 3i9b h GLU 60 Ca 0.79 -0.44 -0.11 0.00 -1.18 0.00 0.00 59.36 58.42 3i9b h GLU 60 Cb 3.49 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 32.22 3i9b h GLU 60 CO -0.01 1.15 -0.13 -0.22 -1.18 0.00 0.00 179.01 178.62 3i9b h LYS 61 N 0.14 0.92 0.33 1.92 3.11 0.44 -2.40 116.57 121.04 3i9b h LYS 61 Ca -0.11 -0.36 -0.02 0.00 -2.81 0.00 0.00 60.65 57.36 3i9b h LYS 61 Cb 1.77 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.95 3i9b h LYS 61 CO 0.18 1.02 -0.16 1.96 -2.81 0.00 0.00 179.45 179.64 3i9b h GLN 62 N 0.77 -0.43 -0.15 1.90 1.08 -1.44 0.14 115.11 116.98 3i9b h GLN 62 Ca 0.12 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.36 3i9b h GLN 62 Cb 0.69 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 3i9b h GLN 62 CO 0.05 -0.23 -0.09 1.17 -0.95 0.00 0.00 178.83 178.78 3i9b n LYS 63 N -5.25 -0.07 0.18 1.46 4.81 -0.76 0.21 118.16 118.74 3i9b n LYS 63 Ca -0.10 1.08 -0.14 0.00 -0.87 0.00 0.00 58.31 58.27 3i9b n LYS 63 Cb 0.22 -1.61 -0.08 0.00 0.02 0.00 0.00 35.03 33.58 3i9b n LYS 63 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3i9b h LEU 64 N 0.00 -1.20 -0.10 3.14 5.85 -1.41 -1.52 115.31 120.06 3i9b h LEU 64 Ca 0.02 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3i9b h LEU 64 Cb 0.06 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3i9b h LEU 64 CO -0.15 -0.51 -0.09 -0.09 -0.34 0.00 0.00 178.44 177.27 3i9b h ARG 65 N -0.73 -0.03 -1.13 1.25 2.43 0.33 0.08 114.38 116.57 3i9b h ARG 65 Ca -0.03 0.00 0.32 0.00 -0.81 0.00 0.00 59.98 59.46 3i9b h ARG 65 Cb 0.67 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 3i9b h ARG 65 CO -0.13 -0.02 0.79 0.00 -1.51 0.00 0.00 179.97 179.10 3i9b h ARG 66 N -0.03 0.12 -0.77 0.20 3.08 0.26 0.25 114.38 117.48 3i9b h ARG 66 Ca 0.02 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.20 3i9b h ARG 66 Cb 0.08 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 3i9b h ARG 66 CO -0.12 0.08 0.51 0.82 -1.07 0.00 0.00 179.97 180.19 3i9b h ILE 67 N 0.12 0.82 -0.38 2.04 2.04 0.11 -1.25 117.51 121.01 3i9b h ILE 67 Ca 0.57 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 66.27 3i9b h ILE 67 Cb 2.01 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3i9b h ILE 67 CO -0.11 0.09 0.00 -1.22 0.00 0.00 0.00 178.15 176.91 3i9b n TYR 68 N -4.49 0.49 -3.96 1.37 4.02 0.06 -4.98 117.16 109.68 3i9b n TYR 68 Ca 0.14 -0.31 -0.32 0.00 -0.01 0.00 0.00 57.90 57.40 3i9b n TYR 68 Cb 0.50 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.78 3i9b n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i9b n GLY 69 N 1.17 -0.45 3.46 2.72 0.00 -0.47 -4.94 105.19 106.67 3i9b n GLY 69 Ca 0.17 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 3i9b n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i9b s ILE 70 N -3.09 3.72 0.13 -0.61 2.07 -1.26 -4.68 121.20 117.47 3i9b s ILE 70 Ca 0.63 -0.42 -0.27 0.00 -1.41 0.00 0.00 60.65 59.19 3i9b s ILE 70 Cb -0.35 -2.63 -0.15 0.00 0.13 0.00 0.00 42.46 39.46 3i9b s ILE 70 CO 0.78 0.49 0.57 -1.54 -1.91 0.00 0.00 174.94 173.33 3i9b n SER 71 N 3.69 -0.80 -0.19 4.50 3.41 -1.26 -4.46 113.62 118.52 3i9b n SER 71 Ca -0.18 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 3i9b n SER 71 Cb 0.52 -0.81 0.09 0.00 -0.26 0.00 0.00 64.21 63.76 3i9b n SER 71 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3i9b h GLU 72 N 1.31 0.18 -0.16 4.33 4.57 -1.98 0.34 114.58 123.18 3i9b h GLU 72 Ca -0.29 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 57.93 3i9b h GLU 72 Cb 1.24 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.73 3i9b h GLU 72 CO 0.51 0.12 -0.25 -0.09 -1.18 0.00 0.00 179.01 178.12 3i9b h ARG 73 N 0.19 -0.29 -0.44 1.92 9.65 -2.00 -0.38 114.38 123.02 3i9b h ARG 73 Ca 0.30 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.19 3i9b h ARG 73 Cb 0.46 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.09 3i9b h ARG 73 CO -0.44 -0.19 0.22 1.96 2.80 0.00 0.00 179.97 184.32 3i9b h GLN 74 N -0.30 0.63 -0.87 0.20 4.20 -1.51 -1.72 115.11 115.75 3i9b h GLN 74 Ca 0.11 -0.09 0.10 0.00 0.06 0.00 0.00 58.65 58.83 3i9b h GLN 74 Cb 0.47 -0.12 -0.08 0.00 0.30 0.00 0.00 27.48 28.05 3i9b h GLN 74 CO -0.33 0.53 0.51 0.35 -0.67 0.00 0.00 178.83 179.22 3i9b h PHE 75 N 0.58 0.93 0.48 2.96 3.57 0.06 -2.83 116.94 122.69 3i9b h PHE 75 Ca 0.15 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3i9b h PHE 75 Cb 0.10 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3i9b h PHE 75 CO -0.01 0.38 -0.23 -0.09 -2.23 0.00 0.00 178.31 176.12 3i9b h ARG 76 N 0.85 -0.63 -0.88 1.11 9.65 -0.76 -2.62 114.38 121.11 3i9b h ARG 76 Ca 0.42 0.04 0.33 0.00 -1.10 0.00 0.00 59.98 59.67 3i9b h ARG 76 Cb 0.39 0.14 -0.16 0.00 -1.39 0.00 0.00 29.97 28.95 3i9b h ARG 76 CO -0.25 -0.42 0.32 0.09 2.80 0.00 0.00 179.97 182.51 3i9b n ASN 77 N -4.26 0.17 0.09 -3.80 3.02 -0.67 1.00 115.26 110.80 3i9b n ASN 77 Ca -0.08 1.47 -0.13 0.00 -0.03 0.00 0.00 54.58 55.81 3i9b n ASN 77 Cb 0.26 -0.65 -0.08 0.00 -0.61 0.00 0.00 39.78 38.69 3i9b n ASN 77 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3i9b h LEU 78 N 0.00 -0.23 -0.95 3.41 3.38 -1.53 -2.36 115.31 117.03 3i9b h LEU 78 Ca 0.67 -0.27 0.24 0.00 0.09 0.00 0.00 57.88 58.61 3i9b h LEU 78 Cb 1.68 0.06 -0.18 0.00 0.09 0.00 0.00 40.66 42.31 3i9b h LEU 78 CO -0.72 0.19 -0.04 0.15 0.09 0.00 0.00 178.44 178.11 3i9b h PHE 79 N -0.69 -0.15 -0.70 1.13 3.57 0.10 0.44 116.94 120.64 3i9b h PHE 79 Ca -0.03 0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3i9b h PHE 79 Cb 0.49 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 3i9b h PHE 79 CO 0.05 -0.40 0.22 0.93 -2.23 0.00 0.00 178.31 176.88 3i9b h GLU 80 N 0.02 1.08 -0.50 1.11 4.39 -1.13 -1.74 114.58 117.81 3i9b h GLU 80 Ca 0.54 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 60.01 3i9b h GLU 80 Cb 1.04 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 3i9b h GLU 80 CO -0.90 0.93 0.30 1.49 -1.16 0.00 0.00 179.01 179.67 3i9b h GLU 81 N 1.02 0.67 0.00 2.33 4.81 0.33 -2.95 114.58 120.79 3i9b h GLU 81 Ca 0.22 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3i9b h GLU 81 Cb 0.30 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3i9b h GLU 81 CO -0.01 0.47 0.00 0.00 -0.73 0.00 0.00 179.01 178.74 3i9b n ALA 82 N -2.46 -0.31 -0.00 2.92 0.00 -0.11 -2.17 120.51 118.38 3i9b n ALA 82 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i9b n ALA 82 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3i9b n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i9b n SER 83 N -1.46 0.00 -0.08 0.00 7.64 -0.73 0.68 113.62 119.68 3i9b n SER 83 Ca 0.00 0.05 -0.07 0.00 1.01 0.00 0.00 58.87 59.87 3i9b n SER 83 Cb 0.00 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 3i9b n SER 83 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3i9b h LYS 84 N 0.00 -0.02 -6.81 1.43 1.63 -1.60 -3.44 116.57 107.76 3i9b h LYS 84 Ca 0.00 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 59.31 3i9b h LYS 84 Cb 0.00 0.01 0.22 0.00 -0.60 0.00 0.00 32.23 31.86 3i9b h LYS 84 CO 0.00 -0.02 -0.66 1.63 -3.45 0.00 0.00 179.45 176.95 3i9b n LYS 85 N -5.26 -0.99 -2.23 1.90 5.02 0.21 -4.93 118.16 111.88 3i9b n LYS 85 Ca -0.00 -0.26 -0.38 0.00 -2.02 0.00 0.00 58.31 55.65 3i9b n LYS 85 Cb 0.18 -1.86 -0.01 0.00 -0.02 0.00 0.00 35.03 33.32 3i9b n LYS 85 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i9b s LYS 86 N -3.70 3.90 0.08 1.97 -0.14 -1.26 -4.92 119.74 115.67 3i9b s LYS 86 Ca 0.58 1.86 0.00 0.00 -1.36 0.00 0.00 55.97 57.06 3i9b s LYS 86 Cb -0.18 -2.57 0.00 0.00 -1.68 0.00 0.00 37.83 33.40 3i9b s LYS 86 CO 0.66 -0.46 0.00 0.41 -0.76 0.00 0.00 175.35 175.21 3i9b n GLY 87 N 0.57 -3.23 3.60 -3.33 0.00 -1.26 -4.87 105.19 96.67 3i9b n GLY 87 Ca 0.06 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 3i9b n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9b s VAL 88 N -0.70 3.46 0.14 1.61 1.01 -1.26 -4.91 120.40 119.75 3i9b s VAL 88 Ca 0.00 0.46 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 3i9b s VAL 88 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3i9b s VAL 88 CO 0.00 -0.42 1.62 0.74 0.00 0.00 0.00 175.10 177.04 3i9b h THR 89 N 6.82 0.32 -0.32 3.92 2.02 -1.90 -0.99 112.91 122.78 3i9b h THR 89 Ca -0.34 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.90 3i9b h THR 89 Cb 1.17 0.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.82 3i9b h THR 89 CO 1.04 0.00 -0.47 1.23 0.37 0.00 0.00 175.52 177.68 3i9b h GLY 90 N -0.36 -0.75 0.00 2.16 0.00 -1.92 1.30 103.07 103.49 3i9b h GLY 90 Ca 0.10 0.60 0.00 0.00 0.00 0.00 0.00 47.33 48.03 3i9b h GLY 90 CO -0.35 -0.18 0.00 1.44 0.00 0.00 0.00 176.54 177.45 3i9b n SER 91 N -5.41 0.00 -0.38 0.19 7.64 -1.12 -1.86 113.62 112.68 3i9b n SER 91 Ca -0.03 0.85 0.34 0.00 1.01 0.00 0.00 58.87 61.04 3i9b n SER 91 Cb 0.36 -0.35 0.60 0.00 -1.01 0.00 0.00 64.21 63.81 3i9b n SER 91 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3i9b h VAL 92 N 0.00 0.06 0.00 0.44 2.07 -0.99 0.51 116.25 118.33 3i9b h VAL 92 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3i9b h VAL 92 Cb 0.00 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3i9b h VAL 92 CO 0.00 0.01 0.00 0.33 0.02 0.00 0.00 177.57 177.93 3i9b n PHE 93 N -5.03 0.00 -0.29 1.57 -0.00 0.44 -1.41 117.46 112.74 3i9b n PHE 93 Ca 0.38 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 58.01 3i9b n PHE 93 Cb 1.33 -0.34 0.35 0.00 -0.00 0.00 0.00 39.48 40.82 3i9b n PHE 93 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3i9b n LEU 94 N -1.91 0.05 -0.23 -2.13 4.77 0.17 -0.63 117.00 117.09 3i9b n LEU 94 Ca 0.00 1.47 -0.08 0.00 -0.03 0.00 0.00 56.01 57.37 3i9b n LEU 94 Cb 0.00 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 3i9b n LEU 94 CO 0.00 -1.55 0.57 1.23 -1.33 0.00 0.00 177.39 176.32 3i9b h GLY 95 N 0.00 -0.40 0.81 -0.72 0.00 0.03 0.12 103.07 102.91 3i9b h GLY 95 Ca 0.61 0.56 -0.06 0.00 0.00 0.00 0.00 47.33 48.44 3i9b h GLY 95 CO -0.77 -0.16 -0.11 1.41 0.00 0.00 0.00 176.54 176.92 3i9b h LEU 96 N -0.20 0.45 -1.00 3.11 -0.00 -0.52 -1.74 115.31 115.41 3i9b h LEU 96 Ca 0.20 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 3i9b h LEU 96 Cb 0.56 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 3i9b h LEU 96 CO -0.72 0.76 0.40 0.25 -0.00 0.00 0.00 178.44 179.13 3i9b h LEU 97 N 0.13 0.00 0.00 1.67 6.46 0.25 -0.75 115.31 123.06 3i9b h LEU 97 Ca 0.04 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.63 3i9b h LEU 97 Cb 0.60 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 3i9b h LEU 97 CO 0.03 0.00 -1.66 1.21 -0.62 0.00 0.00 178.44 177.40 3i9b n GLU 98 N -2.25 1.33 0.00 1.25 4.07 0.26 -4.54 120.64 120.77 3i9b n GLU 98 Ca -0.01 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 3i9b n GLU 98 Cb 0.42 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 30.56 3i9b n GLU 98 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3i9b n SER 99 N -2.61 0.00 -4.59 4.31 7.64 -0.30 -4.16 113.62 113.91 3i9b n SER 99 Ca -0.18 0.35 -0.40 0.00 1.01 0.00 0.00 58.87 59.65 3i9b n SER 99 Cb 0.76 -0.35 0.03 0.00 -1.01 0.00 0.00 64.21 63.64 3i9b n SER 99 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i9b n ARG 100 N -1.33 1.09 0.10 1.43 1.74 -1.19 -1.44 116.66 117.06 3i9b n ARG 100 Ca 0.00 0.40 -0.13 0.00 -0.77 0.00 0.00 57.85 57.35 3i9b n ARG 100 Cb 0.10 -2.02 -0.08 0.00 -1.02 0.00 0.00 32.46 29.44 3i9b n ARG 100 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3i9b h LEU 101 N 1.04 -0.16 -1.62 0.55 5.85 -1.18 -2.01 115.31 117.77 3i9b h LEU 101 Ca -0.46 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3i9b h LEU 101 Cb 1.35 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.43 3i9b h LEU 101 CO 0.54 -0.04 0.00 -2.24 -0.34 0.00 0.00 178.44 176.36 3i9b h ASP 102 N -0.28 0.00 0.00 1.25 -0.00 -1.76 -2.34 116.42 113.29 3i9b h ASP 102 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.03 56.89 3i9b h ASP 102 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.53 3i9b h ASP 102 CO 0.03 0.00 -0.70 -1.13 -0.00 0.00 0.00 179.24 177.45 3i9b h ASN 103 N 0.00 0.00 -0.78 4.15 -1.24 -1.68 -3.16 115.58 112.87 3i9b h ASN 103 Ca 0.00 -0.64 0.17 0.00 0.71 0.00 0.00 56.30 56.54 3i9b h ASN 103 Cb 0.03 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 38.93 3i9b h ASN 103 CO 0.00 1.23 -0.09 0.58 -1.29 0.00 0.00 177.43 177.86 3i9b h VAL 104 N -1.00 0.26 0.08 2.57 2.07 -0.85 0.25 116.25 119.64 3i9b h VAL 104 Ca -0.19 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3i9b h VAL 104 Cb 1.09 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3i9b h VAL 104 CO -0.11 0.01 -0.35 0.58 0.02 0.00 0.00 177.57 177.72 3i9b h VAL 105 N 0.05 0.27 -0.23 2.57 2.07 -1.62 0.49 116.25 119.85 3i9b h VAL 105 Ca 0.41 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.90 3i9b h VAL 105 Cb 0.69 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3i9b h VAL 105 CO -0.74 0.00 0.06 0.22 0.02 0.00 0.00 177.57 177.12 3i9b h TYR 106 N -0.55 0.38 0.18 1.57 3.20 -1.12 -2.98 116.97 117.66 3i9b h TYR 106 Ca 0.04 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.87 3i9b h TYR 106 Cb 0.60 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3i9b h TYR 106 CO -0.33 0.46 -0.22 0.00 -1.64 0.00 0.00 178.16 176.43 3i9b h ARG 107 N 0.19 -0.44 -0.40 1.82 2.47 -0.47 -2.60 114.38 114.95 3i9b h ARG 107 Ca 0.07 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3i9b h ARG 107 Cb 0.27 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 3i9b h ARG 107 CO 0.00 -0.29 0.00 -0.11 0.56 0.00 0.00 179.97 180.13 3i9b n LEU 108 N -5.35 0.40 0.00 3.04 7.94 0.17 -4.87 117.00 118.33 3i9b n LEU 108 Ca -0.08 -0.20 0.00 0.00 -1.11 0.00 0.00 56.01 54.62 3i9b n LEU 108 Cb 0.26 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.01 3i9b n LEU 108 CO 0.28 0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.27 3i9b n GLY 109 N 0.26 1.77 0.00 -3.96 0.00 -0.98 -4.92 105.19 97.36 3i9b n GLY 109 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3i9b n GLY 109 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i9b n PHE 110 N 0.00 0.00 -3.93 1.61 3.01 -1.23 -4.26 117.46 112.65 3i9b n PHE 110 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 3i9b n PHE 110 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 3i9b n PHE 110 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i9b s ALA 111 N 0.00 3.70 -0.05 4.37 0.00 -1.26 -4.51 121.76 124.03 3i9b s ALA 111 Ca 0.00 -1.68 0.13 0.00 0.00 0.00 0.00 51.96 50.41 3i9b s ALA 111 Cb 0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 23.12 21.89 3i9b s ALA 111 CO 0.00 0.04 0.87 -0.24 0.00 0.00 0.00 175.76 176.44 3i9b h VAL 112 N 1.37 0.90 -3.97 0.00 3.04 -1.91 -3.44 116.25 112.24 3i9b h VAL 112 Ca -0.45 -2.59 -0.25 0.00 -1.01 0.00 0.00 66.70 62.41 3i9b h VAL 112 Cb 1.25 2.38 -0.21 0.00 -2.01 0.00 0.00 31.29 32.70 3i9b h VAL 112 CO 0.60 0.51 -0.72 -0.55 -1.01 0.00 0.00 177.57 176.39 3i9b s SER 113 N -6.14 0.66 0.21 3.17 0.15 -1.26 -4.66 113.70 105.84 3i9b s SER 113 Ca -0.03 -0.51 -0.09 0.00 0.70 0.00 0.00 55.95 56.02 3i9b s SER 113 Cb 0.08 0.05 0.30 0.00 -1.71 0.00 0.00 66.02 64.75 3i9b s SER 113 CO 0.81 -0.22 1.71 0.03 1.20 0.00 0.00 173.24 176.78 3i9b h ARG 114 N 4.61 0.28 -0.48 5.44 3.08 -1.92 1.36 114.38 126.75 3i9b h ARG 114 Ca -0.34 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 3i9b h ARG 114 Cb 1.20 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 3i9b h ARG 114 CO 0.41 0.18 0.24 0.00 -1.07 0.00 0.00 179.97 179.73 3i9b h ARG 115 N 0.29 0.66 -0.03 0.04 3.08 -1.94 -1.17 114.38 115.31 3i9b h ARG 115 Ca 0.32 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 3i9b h ARG 115 Cb 0.47 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3i9b h ARG 115 CO -0.39 0.51 -0.14 0.37 -1.07 0.00 0.00 179.97 179.25 3i9b h GLN 116 N 0.67 0.16 -0.91 0.04 4.15 -0.86 -3.21 115.11 115.14 3i9b h GLN 116 Ca 0.17 -0.12 0.23 0.00 0.77 0.00 0.00 58.65 59.69 3i9b h GLN 116 Cb 0.06 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.71 3i9b h GLN 116 CO -0.02 0.77 0.62 0.00 -1.93 0.00 0.00 178.83 178.26 3i9b h ALA 117 N 0.39 2.38 0.38 3.38 0.00 0.20 -2.68 119.26 123.32 3i9b h ALA 117 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3i9b h ALA 117 Cb 0.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3i9b h ALA 117 CO 0.03 -0.67 -0.20 -0.09 0.00 0.00 0.00 179.25 178.32 3i9b h ARG 118 N 0.29 -0.51 -1.16 0.00 2.43 -1.22 -3.01 114.38 111.20 3i9b h ARG 118 Ca 0.47 0.03 0.41 0.00 -0.81 0.00 0.00 59.98 60.08 3i9b h ARG 118 Cb 1.35 0.12 -0.15 0.00 -0.42 0.00 0.00 29.97 30.87 3i9b h ARG 118 CO -0.14 -0.34 0.70 0.37 -1.51 0.00 0.00 179.97 179.04 3i9b h GLN 119 N -0.53 0.11 -0.02 0.20 4.15 -1.56 0.56 115.11 118.02 3i9b h GLN 119 Ca -0.05 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 3i9b h GLN 119 Cb 0.41 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 3i9b h GLN 119 CO 0.08 0.07 0.01 -0.07 -1.93 0.00 0.00 178.83 176.99 3i9b h LEU 120 N 0.11 0.02 -0.78 -2.39 3.38 -1.52 0.26 115.31 114.39 3i9b h LEU 120 Ca 0.81 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.69 3i9b h LEU 120 Cb 2.28 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.98 3i9b h LEU 120 CO -0.57 0.13 0.51 0.58 0.09 0.00 0.00 178.44 179.18 3i9b h VAL 121 N -0.09 1.16 0.15 1.22 2.07 0.13 -1.46 116.25 119.42 3i9b h VAL 121 Ca 0.01 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3i9b h VAL 121 Cb 0.11 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3i9b h VAL 121 CO -0.00 0.18 -0.07 0.03 0.02 0.00 0.00 177.57 177.73 3i9b h ARG 122 N 1.01 -0.19 0.00 1.57 2.47 -0.52 -3.21 114.38 115.51 3i9b h ARG 122 Ca 0.30 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.03 3i9b h ARG 122 Cb -0.05 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 3i9b h ARG 122 CO -0.09 -0.13 0.00 0.72 0.56 0.00 0.00 179.97 181.03 3i9b n HIS 123 N -2.58 0.00 -0.67 3.04 8.25 0.88 -4.56 115.22 119.58 3i9b n HIS 123 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3i9b n HIS 123 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3i9b n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i9b n GLY 124 N -0.03 1.24 0.32 -1.41 0.00 -1.20 -4.90 105.19 99.21 3i9b n GLY 124 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3i9b n GLY 124 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i9b h HIS 125 N 0.00 0.94 -2.89 1.61 3.86 -1.51 -3.44 115.15 113.73 3i9b h HIS 125 Ca 0.00 0.03 -0.46 0.00 -1.16 0.00 0.00 60.37 58.78 3i9b h HIS 125 Cb 0.00 -0.29 0.12 0.00 1.06 0.00 0.00 27.41 28.30 3i9b h HIS 125 CO 0.00 0.40 0.25 0.42 0.86 0.00 0.00 177.93 179.86 3i9b s ILE 126 N -6.02 2.05 0.15 2.45 -1.09 -1.15 -4.36 121.20 113.22 3i9b s ILE 126 Ca -0.12 -0.34 -0.24 0.00 -2.23 0.00 0.00 60.65 57.72 3i9b s ILE 126 Cb 0.20 -2.71 0.07 0.00 -1.58 0.00 0.00 42.46 38.44 3i9b s ILE 126 CO 0.79 0.00 0.66 0.28 -1.23 0.00 0.00 174.94 175.44 3i9b s THR 127 N -3.49 0.00 -0.05 2.92 -1.32 -1.26 -3.96 115.64 108.49 3i9b s THR 127 Ca 0.70 -0.14 0.02 0.00 -1.21 0.00 0.00 61.69 61.06 3i9b s THR 127 Cb -0.04 -1.15 0.02 0.00 -1.51 0.00 0.00 72.50 69.81 3i9b s THR 127 CO 0.48 0.00 -0.08 -0.69 -2.21 0.00 0.00 174.62 172.12 3i9b s VAL 128 N -3.68 0.82 0.00 5.08 1.01 0.16 -2.70 120.40 121.09 3i9b s VAL 128 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3i9b s VAL 128 Cb -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.59 3i9b s VAL 128 CO -0.10 0.28 0.00 0.59 0.00 0.00 0.00 175.10 175.88 3i9b n ASN 129 N 3.82 0.00 0.00 3.32 5.03 -0.20 -2.18 115.26 125.05 3i9b n ASN 129 Ca -0.23 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.22 3i9b n ASN 129 Cb 0.52 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.87 3i9b n ASN 129 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i9b n GLY 130 N 0.00 0.04 3.64 7.41 0.00 -1.26 -5.02 105.19 109.99 3i9b n GLY 130 Ca 0.00 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3i9b n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9b n ARG 131 N 0.00 0.24 -2.10 1.61 1.74 -0.93 -4.93 116.66 112.30 3i9b n ARG 131 Ca 0.00 0.15 -0.28 0.00 -0.77 0.00 0.00 57.85 56.95 3i9b n ARG 131 Cb 0.00 -2.30 0.05 0.00 -1.02 0.00 0.00 32.46 29.19 3i9b n ARG 131 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3i9b s ARG 132 N -3.78 2.67 -0.10 5.56 1.70 -1.26 0.36 118.95 124.08 3i9b s ARG 132 Ca 0.72 0.17 -0.03 0.00 -0.47 0.00 0.00 55.73 56.11 3i9b s ARG 132 Cb -0.30 -2.11 0.05 0.00 -0.57 0.00 0.00 34.95 32.02 3i9b s ARG 132 CO 0.52 -1.03 0.13 0.08 -1.08 0.00 0.00 175.30 173.92 3i9b s VAL 133 N -3.25 -0.20 -0.24 4.99 1.01 -1.25 -4.72 120.40 116.72 3i9b s VAL 133 Ca 0.58 0.22 0.14 0.00 0.00 0.00 0.00 61.98 62.92 3i9b s VAL 133 Cb -0.11 -0.36 0.75 0.00 0.00 0.00 0.00 36.38 36.66 3i9b s VAL 133 CO 0.48 0.04 1.69 -0.90 0.00 0.00 0.00 175.10 176.41 3i9b n ASP 134 N 5.31 5.16 -4.32 3.32 3.85 -1.22 -4.56 116.55 124.09 3i9b n ASP 134 Ca -0.05 -3.02 -0.47 0.00 -0.71 0.00 0.00 54.79 50.54 3i9b n ASP 134 Cb 0.50 -0.67 -0.02 0.00 -1.35 0.00 0.00 41.12 39.57 3i9b n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3i9b s LEU 135 N -2.84 6.69 0.00 -2.12 1.02 -1.26 -4.36 118.68 115.80 3i9b s LEU 135 Ca 0.52 -2.64 0.00 0.00 0.02 0.00 0.00 54.13 52.03 3i9b s LEU 135 Cb 0.41 -2.20 0.00 0.00 0.02 0.00 0.00 46.19 44.42 3i9b s LEU 135 CO 0.14 -0.58 0.81 -2.65 0.02 0.00 0.00 176.35 174.09 3i9b n PRO 136 N 4.03 0.00 -0.01 1.29 -0.02 -1.26 -0.78 135.00 138.26 3i9b n PRO 136 Ca 0.12 0.32 0.08 0.00 -2.02 0.00 0.00 63.50 62.00 3i9b n PRO 136 Cb 0.46 -1.66 -0.12 0.00 -0.02 0.00 0.00 33.50 32.16 3i9b n PRO 136 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i9b n SER 137 N -1.31 1.19 -1.57 2.55 3.41 -1.26 -2.60 113.62 114.03 3i9b n SER 137 Ca 0.00 -0.11 -0.22 0.00 -0.26 0.00 0.00 58.87 58.29 3i9b n SER 137 Cb 0.16 1.66 -0.03 0.00 -0.26 0.00 0.00 64.21 65.73 3i9b n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i9b n TYR 138 N -1.99 0.43 -2.55 7.33 9.36 0.04 -4.05 117.16 125.73 3i9b n TYR 138 Ca -0.02 0.38 -0.41 0.00 3.32 0.00 0.00 57.90 61.16 3i9b n TYR 138 Cb 0.41 -0.74 -0.03 0.00 -0.63 0.00 0.00 39.34 38.35 3i9b n TYR 138 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3i9b s ARG 139 N 0.58 3.31 -0.09 2.98 3.52 -1.26 -1.10 118.95 126.88 3i9b s ARG 139 Ca 0.34 -0.51 -0.29 0.00 -0.13 0.00 0.00 55.73 55.14 3i9b s ARG 139 Cb -0.47 -4.54 -0.06 0.00 -1.56 0.00 0.00 34.95 28.31 3i9b s ARG 139 CO 0.24 -2.17 2.00 0.08 -0.81 0.00 0.00 175.30 174.63 3i9b s VAL 140 N 5.53 3.13 0.24 7.11 1.01 -0.52 -5.00 120.40 131.90 3i9b s VAL 140 Ca 0.39 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 3i9b s VAL 140 Cb -0.06 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 33.25 3i9b s VAL 140 CO 0.07 -0.05 0.33 0.54 0.00 0.00 0.00 175.10 176.00 3i9b n ARG 141 N 7.98 0.17 -3.33 2.72 1.74 -1.26 -4.87 116.66 119.81 3i9b n ARG 141 Ca 0.23 -0.76 -0.35 0.00 -0.77 0.00 0.00 57.85 56.20 3i9b n ARG 141 Cb 0.43 -0.26 -0.06 0.00 -1.02 0.00 0.00 32.46 31.55 3i9b n ARG 141 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3i9b s PRO 142 N -3.40 4.00 0.00 5.56 0.02 -1.26 -3.81 135.00 136.11 3i9b s PRO 142 Ca 0.21 0.53 0.00 0.00 0.02 0.00 0.00 61.00 61.75 3i9b s PRO 142 Cb -0.01 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.61 3i9b s PRO 142 CO 0.14 0.45 0.00 0.41 -0.33 0.00 0.00 177.00 177.67 3i9b n GLY 143 N 0.71 0.75 3.66 0.52 0.00 -0.47 -5.02 105.19 105.35 3i9b n GLY 143 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3i9b n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i9b s ASP 144 N -2.43 7.06 -0.05 1.61 1.11 -1.25 -4.88 116.67 117.85 3i9b s ASP 144 Ca 0.00 1.50 -0.18 0.00 0.18 0.00 0.00 52.55 54.05 3i9b s ASP 144 Cb 0.00 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 3i9b s ASP 144 CO 0.00 -0.69 0.49 -0.70 1.18 0.00 0.00 175.17 175.46 3i9b s GLU 145 N 3.21 4.22 -0.42 8.23 2.12 -1.26 -1.43 118.70 133.36 3i9b s GLU 145 Ca 0.48 0.53 0.04 0.00 0.36 0.00 0.00 54.97 56.37 3i9b s GLU 145 Cb -0.17 -3.34 0.11 0.00 0.26 0.00 0.00 34.13 30.99 3i9b s GLU 145 CO 0.10 0.38 0.15 0.42 -0.54 0.00 0.00 175.26 175.77 3i9b s ILE 146 N -0.15 2.34 0.00 -3.70 1.09 0.13 -1.03 121.20 119.89 3i9b s ILE 146 Ca 0.27 -2.77 0.00 0.00 -1.10 0.00 0.00 60.65 57.05 3i9b s ILE 146 Cb -0.17 -2.68 0.00 0.00 -1.06 0.00 0.00 42.46 38.55 3i9b s ILE 146 CO 0.13 -0.70 0.00 0.00 -0.10 0.00 0.00 174.94 174.27 3i9b n ALA 147 N 3.72 0.00 -0.25 9.38 0.00 -1.10 -2.57 120.51 129.70 3i9b n ALA 147 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i9b n ALA 147 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 3i9b n ALA 147 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i9b n VAL 148 N 0.00 0.00 -1.37 0.00 0.31 -1.25 -3.99 118.33 112.02 3i9b n VAL 148 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 3i9b n VAL 148 Cb 0.00 1.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.92 3i9b n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i9b n ALA 149 N 0.00 -1.78 -0.81 3.52 0.00 -1.26 -4.32 120.51 115.86 3i9b n ALA 149 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3i9b n ALA 149 Cb 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3i9b n ALA 149 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i9b n GLU 150 N -2.58 0.00 0.00 0.00 0.00 -1.26 -2.32 120.64 114.48 3i9b n GLU 150 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 3i9b n GLU 150 Cb 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 31.44 31.54 3i9b n GLU 150 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3i9b n LYS 151 N 0.00 0.00 0.17 3.44 3.00 -1.26 0.29 118.16 123.80 3i9b n LYS 151 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 3i9b n LYS 151 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.19 3i9b n LYS 151 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 3i9b h SER 152 N 0.00 0.00 -0.76 3.14 0.02 -1.73 -3.39 113.55 110.84 3i9b h SER 152 Ca 0.00 -0.02 0.21 0.00 -0.84 0.00 0.00 61.79 61.15 3i9b h SER 152 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 3i9b h SER 152 CO 0.00 0.01 0.03 0.54 -1.14 0.00 0.00 176.83 176.26 3i9b n ARG 153 N -2.82 -0.06 -3.68 3.45 5.12 0.85 -2.77 116.66 116.76 3i9b n ARG 153 Ca 0.03 1.13 -0.37 0.00 -1.93 0.00 0.00 57.85 56.71 3i9b n ARG 153 Cb 0.52 -1.80 -0.08 0.00 -1.16 0.00 0.00 32.46 29.93 3i9b n ARG 153 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i9b s ASN 154 N -5.00 5.48 -0.05 0.55 4.22 -1.26 -4.78 114.94 114.10 3i9b s ASN 154 Ca -0.10 -3.06 -0.02 0.00 -2.14 0.00 0.00 52.86 47.54 3i9b s ASN 154 Cb 0.22 -1.89 0.04 0.00 1.28 0.00 0.00 41.25 40.90 3i9b s ASN 154 CO 0.59 -0.34 0.10 -0.22 -2.04 0.00 0.00 177.10 175.19 3i9b s LEU 155 N -0.36 0.31 0.56 3.54 0.20 -1.11 -5.02 118.68 116.79 3i9b s LEU 155 Ca 0.19 0.18 0.07 0.00 0.69 0.00 0.00 54.13 55.26 3i9b s LEU 155 Cb -0.17 0.07 0.37 0.00 -0.43 0.00 0.00 46.19 46.04 3i9b s LEU 155 CO -0.06 -0.21 1.15 -0.33 -0.29 0.00 0.00 176.35 176.61 3i9b h GLU 156 N 8.07 0.00 0.00 1.98 5.08 -1.95 1.24 114.58 129.00 3i9b h GLU 156 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3i9b h GLU 156 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3i9b h GLU 156 CO 0.24 0.00 -1.24 -0.11 -1.00 0.00 0.00 179.01 176.90 3i9b n LEU 157 N -2.38 0.71 -0.12 1.33 7.94 -1.26 -3.57 117.00 119.65 3i9b n LEU 157 Ca -0.00 -0.33 -0.21 0.00 -1.11 0.00 0.00 56.01 54.35 3i9b n LEU 157 Cb 0.77 -0.01 -0.12 0.00 0.53 0.00 0.00 43.42 44.59 3i9b n LEU 157 CO 0.03 0.17 -1.31 -0.38 -1.11 0.00 0.00 177.39 174.79 3i9b n ILE 158 N -1.72 1.52 0.00 1.96 2.08 0.41 -3.36 119.36 120.25 3i9b n ILE 158 Ca 0.02 -0.52 0.00 0.00 0.56 0.00 0.00 62.75 62.81 3i9b n ILE 158 Cb 0.40 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.72 3i9b n ILE 158 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3i9b n ARG 159 N -3.54 0.00 -0.19 0.38 1.74 0.14 0.53 116.66 115.73 3i9b n ARG 159 Ca -0.47 0.54 0.17 0.00 -0.77 0.00 0.00 57.85 57.33 3i9b n ARG 159 Cb 0.96 -1.33 0.52 0.00 -1.02 0.00 0.00 32.46 31.59 3i9b n ARG 159 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3i9b h GLN 160 N 0.00 0.37 0.00 5.56 7.50 -1.79 0.89 115.11 127.64 3i9b h GLN 160 Ca 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 3i9b h GLN 160 Cb 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.45 3i9b h GLN 160 CO 0.00 0.24 0.00 -0.91 -1.50 0.00 0.00 178.83 176.66 3i9b h ASN 161 N 0.38 0.00 0.00 1.46 2.35 -1.49 -3.07 115.58 115.20 3i9b h ASN 161 Ca 0.40 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.11 3i9b h ASN 161 Cb 1.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 3i9b h ASN 161 CO -0.13 0.00 -1.88 0.18 -1.65 0.00 0.00 177.43 173.95 3i9b n LEU 162 N -2.43 0.00 0.30 1.61 4.77 0.19 -4.29 117.00 117.14 3i9b n LEU 162 Ca 0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 3i9b n LEU 162 Cb 0.42 0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 3i9b n LEU 162 CO 0.30 0.05 0.45 -0.08 -1.33 0.00 0.00 177.39 176.78 3i9b h GLU 163 N 0.00 -0.74 0.00 3.23 4.22 0.61 -2.24 114.58 119.65 3i9b h GLU 163 Ca -0.06 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3i9b h GLU 163 Cb 0.99 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3i9b h GLU 163 CO 0.00 -0.50 0.02 0.00 -2.18 0.00 0.00 179.01 176.36 3i9b n ALA 164 N -2.46 1.17 0.42 2.92 0.00 -1.17 0.73 120.51 122.12 3i9b n ALA 164 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3i9b n ALA 164 Cb 0.30 -0.91 0.07 0.00 0.00 0.00 0.00 19.45 18.91 3i9b n ALA 164 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3i9b n MET 165 N -1.17 0.39 -1.85 0.00 1.56 -0.86 -4.71 117.12 110.48 3i9b n MET 165 Ca 0.00 0.06 -0.43 0.00 -0.27 0.00 0.00 57.70 57.06 3i9b n MET 165 Cb 0.02 -1.70 -0.03 0.00 2.15 0.00 0.00 33.22 33.67 3i9b n MET 165 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 3i9b s LYS 166 N -3.24 3.51 0.00 2.12 1.02 0.22 -3.58 119.74 119.78 3i9b s LYS 166 Ca 0.03 1.87 0.00 0.00 0.02 0.00 0.00 55.97 57.89 3i9b s LYS 166 Cb 0.13 -4.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.23 3i9b s LYS 166 CO 0.77 -1.66 0.00 0.41 -0.92 0.00 0.00 175.35 173.95 3i9b n GLY 167 N 5.20 2.26 3.04 -3.33 0.00 -1.26 -5.08 105.19 106.02 3i9b n GLY 167 Ca 0.24 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 3i9b n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9b n ARG 168 N 0.00 0.00 -3.81 1.61 5.12 -1.24 -4.93 116.66 113.41 3i9b n ARG 168 Ca 0.00 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.56 3i9b n ARG 168 Cb 0.00 -0.95 -0.07 0.00 -1.16 0.00 0.00 32.46 30.29 3i9b n ARG 168 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i9b s LYS 169 N -1.10 3.72 -0.19 5.56 1.02 -1.26 -5.08 119.74 122.41 3i9b s LYS 169 Ca 0.51 -0.14 -0.06 0.00 0.02 0.00 0.00 55.97 56.30 3i9b s LYS 169 Cb -0.43 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 3i9b s LYS 169 CO 0.65 0.61 0.03 0.54 -0.92 0.00 0.00 175.35 176.26 3i9b s VAL 170 N -0.54 4.39 0.00 3.17 0.11 -1.26 -5.04 120.40 121.22 3i9b s VAL 170 Ca 0.13 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 3i9b s VAL 170 Cb -0.12 -2.98 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 3i9b s VAL 170 CO 0.02 0.44 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 3i9b n GLY 171 N 3.84 0.00 0.40 6.54 0.00 -1.26 -4.42 105.19 110.29 3i9b n GLY 171 Ca -0.17 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.11 3i9b n GLY 171 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i9b h PRO 172 N 0.00 0.32 -0.15 1.61 0.11 -1.96 0.58 132.00 132.52 3i9b h PRO 172 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3i9b h PRO 172 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3i9b h PRO 172 CO 0.00 0.21 0.00 -2.67 -0.21 0.00 0.00 178.00 175.33 3i9b n TRP 173 N -4.77 0.19 -4.34 0.65 2.14 -1.26 -4.83 117.44 105.23 3i9b n TRP 173 Ca 0.30 -0.10 -0.24 0.00 2.07 0.00 0.00 57.50 59.53 3i9b n TRP 173 Cb 1.01 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 31.38 3i9b n TRP 173 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 3i9b s LEU 174 N -1.35 2.27 -0.14 5.67 1.43 0.20 -0.80 118.68 125.97 3i9b s LEU 174 Ca 0.24 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3i9b s LEU 174 Cb 0.12 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.51 3i9b s LEU 174 CO 0.19 0.07 -0.02 -0.94 0.23 0.00 0.00 176.35 175.87 3i9b s SER 175 N -1.76 2.38 -0.05 2.29 1.04 -1.20 -4.66 113.70 111.74 3i9b s SER 175 Ca 0.06 -0.47 0.06 0.00 0.48 0.00 0.00 55.95 56.08 3i9b s SER 175 Cb -0.10 -0.70 -0.01 0.00 0.10 0.00 0.00 66.02 65.31 3i9b s SER 175 CO 0.04 -0.20 -0.24 -0.22 0.98 0.00 0.00 173.24 173.59 3i9b s LEU 176 N 1.79 2.13 -0.42 2.42 2.96 -1.26 -2.75 118.68 123.55 3i9b s LEU 176 Ca 0.02 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3i9b s LEU 176 Cb -0.14 -1.39 0.13 0.00 0.50 0.00 0.00 46.19 45.29 3i9b s LEU 176 CO -0.07 0.26 0.21 -0.62 -1.32 0.00 0.00 176.35 174.81 3i9b s ASP 177 N -0.27 3.75 1.29 3.68 2.15 -1.21 -5.04 116.67 121.02 3i9b s ASP 177 Ca -0.00 -2.47 -0.20 0.00 0.43 0.00 0.00 52.55 50.31 3i9b s ASP 177 Cb -0.13 -1.04 0.30 0.00 -0.30 0.00 0.00 42.92 41.75 3i9b s ASP 177 CO 0.03 -0.29 0.69 0.52 -0.17 0.00 0.00 175.17 175.94 3i9b n VAL 178 N 3.76 0.00 0.00 1.11 0.31 -1.26 -3.14 118.33 119.10 3i9b n VAL 178 Ca 0.07 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3i9b n VAL 178 Cb 0.36 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 3i9b n VAL 178 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i9b n GLU 179 N -4.35 0.00 0.00 5.55 4.07 -1.26 -3.82 120.64 120.83 3i9b n GLU 179 Ca 0.10 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.28 3i9b n GLU 179 Cb 0.52 0.00 0.49 0.00 -0.06 0.00 0.00 31.44 32.39 3i9b n GLU 179 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i9b n GLY 180 N 0.00 -0.73 3.87 8.31 0.00 -1.19 -4.88 105.19 110.56 3i9b n GLY 180 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3i9b n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i9b n MET 181 N -1.15 -0.63 -3.48 1.61 2.81 -1.19 -4.92 117.12 110.17 3i9b n MET 181 Ca 0.11 0.13 -0.10 0.00 -1.81 0.00 0.00 57.70 56.02 3i9b n MET 181 Cb 0.10 -1.71 -0.02 0.00 -0.71 0.00 0.00 33.22 30.88 3i9b n MET 181 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3i9b s LYS 182 N -6.17 1.17 0.31 0.03 -2.85 -1.24 -3.83 119.74 107.16 3i9b s LYS 182 Ca 0.27 -0.46 -0.00 0.00 -1.00 0.00 0.00 55.97 54.78 3i9b s LYS 182 Cb -0.15 0.52 -0.01 0.00 -2.06 0.00 0.00 37.83 36.13 3i9b s LYS 182 CO 0.75 -0.51 0.38 0.20 0.10 0.00 0.00 175.35 176.26 3i9b s GLY 183 N -2.68 1.65 -0.01 0.59 0.00 -1.06 -3.29 107.32 102.50 3i9b s GLY 183 Ca 0.03 -1.65 -0.00 0.00 0.00 0.00 0.00 44.72 43.10 3i9b s GLY 183 CO -0.10 -1.15 0.02 0.54 0.00 0.00 0.00 173.10 172.41 3i9b s LYS 184 N -3.38 -0.02 -0.70 2.90 1.02 -1.11 0.20 119.74 118.65 3i9b s LYS 184 Ca 0.34 0.12 -0.27 0.00 0.02 0.00 0.00 55.97 56.18 3i9b s LYS 184 Cb 0.01 -0.15 0.02 0.00 -0.52 0.00 0.00 37.83 37.19 3i9b s LYS 184 CO 0.20 -0.10 1.40 0.12 -0.92 0.00 0.00 175.35 176.05 3i9b s PHE 185 N 0.66 2.17 0.02 3.18 5.36 -0.52 -3.20 117.98 125.66 3i9b s PHE 185 Ca -0.06 0.16 -0.09 0.00 -0.96 0.00 0.00 56.93 55.98 3i9b s PHE 185 Cb -0.08 -4.51 -0.05 0.00 -0.34 0.00 0.00 43.02 38.05 3i9b s PHE 185 CO -0.02 -2.10 1.15 -0.07 -1.46 0.00 0.00 175.22 172.72 3i9b h LEU 186 N 13.65 -0.38 -7.61 6.12 3.38 -1.31 -1.24 115.31 127.92 3i9b h LEU 186 Ca -0.27 0.03 0.14 0.00 0.09 0.00 0.00 57.88 57.87 3i9b h LEU 186 Cb 1.07 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.86 3i9b h LEU 186 CO 1.26 -0.18 0.43 0.00 0.09 0.00 0.00 178.44 180.04 3i9b s ARG 187 N -3.75 1.25 0.29 1.13 3.03 -1.24 -4.14 118.95 115.52 3i9b s ARG 187 Ca -0.05 -0.66 -0.29 0.00 2.03 0.00 0.00 55.73 56.76 3i9b s ARG 187 Cb 0.01 0.45 -0.14 0.00 -1.03 0.00 0.00 34.95 34.24 3i9b s ARG 187 CO 0.16 -0.57 1.14 1.28 -1.13 0.00 0.00 175.30 176.18 3i9b n LEU 188 N -0.44 2.36 0.00 -1.89 4.77 -1.26 -4.75 117.00 115.80 3i9b n LEU 188 Ca -0.07 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 3i9b n LEU 188 Cb 0.61 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 3i9b n LEU 188 CO 0.13 -1.06 0.00 -0.81 -1.33 0.00 0.00 177.39 174.33 3i9b n PRO 189 N 0.92 1.80 -3.65 3.23 -0.04 -1.26 -4.98 135.00 131.02 3i9b n PRO 189 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 3i9b n PRO 189 Cb 0.32 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.73 3i9b n PRO 189 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3i9b s ASP 190 N -2.11 -0.04 0.32 3.54 -1.08 -1.26 -4.94 116.67 111.10 3i9b s ASP 190 Ca 0.00 0.05 0.07 0.00 -0.52 0.00 0.00 52.55 52.16 3i9b s ASP 190 Cb 0.00 0.05 0.90 0.00 -1.46 0.00 0.00 42.92 42.41 3i9b s ASP 190 CO 0.00 -0.03 1.62 0.03 0.52 0.00 0.00 175.17 177.31 3i9b h ARG 191 N 2.46 0.14 -0.52 4.34 2.47 -1.93 0.45 114.38 121.79 3i9b h ARG 191 Ca -0.15 -0.01 0.10 0.00 -1.26 0.00 0.00 59.98 58.66 3i9b h ARG 191 Cb 1.19 -0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 29.38 3i9b h ARG 191 CO 0.21 0.09 -0.27 1.49 0.56 0.00 0.00 179.97 182.04 3i9b h GLU 192 N 0.14 -0.14 -0.06 0.04 4.81 -2.04 -2.98 114.58 114.34 3i9b h GLU 192 Ca 0.65 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.75 3i9b h GLU 192 Cb 1.44 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 3i9b h GLU 192 CO -0.73 -0.10 -0.59 -0.44 -0.73 0.00 0.00 179.01 176.42 3i9b h ASP 193 N -0.15 0.24 -4.45 1.04 3.45 -0.46 -3.45 116.42 112.63 3i9b h ASP 193 Ca 0.23 -0.14 -0.50 0.00 0.43 0.00 0.00 57.03 57.06 3i9b h ASP 193 Cb 0.51 -0.07 0.08 0.00 -0.56 0.00 0.00 39.33 39.29 3i9b h ASP 193 CO -0.60 0.78 0.41 -0.76 -1.57 0.00 0.00 179.24 177.50 3i9b s LEU 194 N -7.91 2.96 0.00 1.55 2.01 -1.03 -4.99 118.68 111.26 3i9b s LEU 194 Ca -0.04 1.19 0.01 0.00 0.01 0.00 0.00 54.13 55.30 3i9b s LEU 194 Cb 0.12 -4.03 0.01 0.00 0.01 0.00 0.00 46.19 42.30 3i9b s LEU 194 CO 0.79 -1.27 0.70 0.00 1.01 0.00 0.00 176.35 177.58 3i9b n ALA 195 N -2.97 2.16 -0.76 4.21 0.00 -1.26 -4.97 120.51 116.92 3i9b n ALA 195 Ca 0.07 -0.40 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 3i9b n ALA 195 Cb 0.57 -0.18 0.14 0.00 0.00 0.00 0.00 19.45 19.97 3i9b n ALA 195 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9b n LEU 196 N 0.02 -0.55 -1.75 0.00 4.32 -1.26 -4.85 117.00 112.93 3i9b n LEU 196 Ca -0.02 0.23 -0.10 0.00 -0.02 0.00 0.00 56.01 56.09 3i9b n LEU 196 Cb 0.59 -1.17 0.02 0.00 -1.62 0.00 0.00 43.42 41.24 3i9b n LEU 196 CO -0.01 -3.45 1.14 -0.81 -1.22 0.00 0.00 177.39 173.04 3i9b n PRO 197 N -1.96 1.49 -4.41 3.23 -0.04 -1.26 -4.90 135.00 127.15 3i9b n PRO 197 Ca 0.06 -0.94 -0.24 0.00 -0.04 0.00 0.00 63.50 62.34 3i9b n PRO 197 Cb 0.55 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.54 3i9b n PRO 197 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i9b s VAL 198 N -1.31 2.69 -0.10 0.52 -7.23 -1.26 -4.98 120.40 108.73 3i9b s VAL 198 Ca 0.19 -2.17 0.16 0.00 -1.81 0.00 0.00 61.98 58.35 3i9b s VAL 198 Cb 0.15 -2.58 -0.14 0.00 0.56 0.00 0.00 36.38 34.37 3i9b s VAL 198 CO -0.01 -0.32 0.86 -1.13 -0.31 0.00 0.00 175.10 174.19 3i9b h ASN 199 N 2.05 0.00 0.00 4.85 -0.73 -1.90 -3.47 115.58 116.37 3i9b h ASN 199 Ca -0.42 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.75 3i9b h ASN 199 Cb 1.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.84 3i9b h ASN 199 CO 0.63 0.66 0.00 -1.84 -0.37 0.00 0.00 177.43 176.51 3i9b n GLU 200 N -2.96 0.00 0.20 6.67 0.28 -1.26 -4.27 120.64 119.31 3i9b n GLU 200 Ca -0.10 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.04 3i9b n GLU 200 Cb 0.87 0.00 0.68 0.00 1.43 0.00 0.00 31.44 34.42 3i9b n GLU 200 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 3i9b h GLN 201 N 0.00 0.00 0.00 3.44 1.08 -1.98 -1.08 115.11 116.58 3i9b h GLN 201 Ca 0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 3i9b h GLN 201 Cb 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 3i9b h GLN 201 CO 0.00 0.00 -1.49 -0.07 -0.95 0.00 0.00 178.83 176.32 3i9b h LEU 202 N 0.00 0.00 -0.55 1.46 3.38 -1.98 -3.31 115.31 114.32 3i9b h LEU 202 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3i9b h LEU 202 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3i9b h LEU 202 CO 0.00 0.87 -0.28 0.58 0.09 0.00 0.00 178.44 179.70 3i9b h VAL 203 N 0.00 1.27 -0.05 1.22 2.07 -1.50 -1.57 116.25 117.70 3i9b h VAL 203 Ca -0.21 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 65.91 3i9b h VAL 203 Cb 1.85 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 3i9b h VAL 203 CO 0.08 0.48 -0.17 0.40 0.02 0.00 0.00 177.57 178.38 3i9b h ILE 204 N 0.74 0.59 -0.66 4.57 1.08 -1.61 -2.38 117.51 119.84 3i9b h ILE 204 Ca 0.09 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.59 3i9b h ILE 204 Cb 0.84 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 3i9b h ILE 204 CO 0.07 0.00 0.43 -0.33 -0.69 0.00 0.00 178.15 177.64 3i9b h GLU 205 N -0.25 0.76 -0.08 2.37 5.08 -1.58 -1.67 114.58 119.21 3i9b h GLU 205 Ca 0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3i9b h GLU 205 Cb 0.34 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3i9b h GLU 205 CO -0.20 0.50 0.00 0.35 -1.00 0.00 0.00 179.01 178.67 3i9b h PHE 206 N 0.78 0.11 0.05 4.33 3.57 -0.75 -2.92 116.94 122.12 3i9b h PHE 206 Ca 0.26 -0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.43 3i9b h PHE 206 Cb 0.07 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 3i9b h PHE 206 CO -0.00 0.12 -1.92 0.66 -2.23 0.00 0.00 178.31 174.93 3i9b n TYR 207 N -4.47 0.99 -1.25 0.41 0.53 -0.86 -4.17 117.16 108.35 3i9b n TYR 207 Ca -0.02 0.28 -0.27 0.00 -1.02 0.00 0.00 57.90 56.87 3i9b n TYR 207 Cb 0.13 -1.15 -0.09 0.00 -1.03 0.00 0.00 39.34 37.19 3i9b n TYR 207 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 3i9b n SER 208 N -3.22 7.03 0.00 7.72 3.41 -0.69 -5.14 113.62 122.73 3i9b n SER 208 Ca -0.26 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.72 3i9b n SER 208 Cb 1.05 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 3i9b n SER 208 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74