#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c s LEU 2 N 0.00 3.96 -0.03 4.03 1.02 -1.26 -5.01 118.68 121.39 3i9c s LEU 2 Ca 0.00 1.22 -0.09 0.00 0.02 0.00 0.00 54.13 55.28 3i9c s LEU 2 Cb 0.00 -3.54 0.01 0.00 0.02 0.00 0.00 46.19 42.68 3i9c s LEU 2 CO 0.00 -0.93 0.21 0.00 0.02 0.00 0.00 176.35 175.65 3i9c s MET 3 N 3.80 0.47 1.07 1.70 0.23 -1.26 -4.58 119.30 120.74 3i9c s MET 3 Ca 0.51 -0.15 -0.16 0.00 -1.03 0.00 0.00 55.69 54.86 3i9c s MET 3 Cb -0.15 0.21 0.15 0.00 -1.53 0.00 0.00 34.83 33.50 3i9c s MET 3 CO 0.18 -0.11 0.19 -2.30 -2.03 0.00 0.00 175.02 170.95 3i9c n PRO 4 N 1.83 -2.17 -0.38 3.16 -0.02 -1.26 -4.94 135.00 131.22 3i9c n PRO 4 Ca -0.20 -0.63 0.02 0.00 -2.02 0.00 0.00 63.50 60.67 3i9c n PRO 4 Cb 0.56 -1.56 0.03 0.00 -0.02 0.00 0.00 33.50 32.52 3i9c n PRO 4 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i9c n ARG 5 N -1.99 0.30 0.00 -0.52 1.74 -1.26 -5.06 116.66 109.87 3i9c n ARG 5 Ca 0.04 -1.30 0.00 0.00 -0.77 0.00 0.00 57.85 55.82 3i9c n ARG 5 Cb 0.47 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 31.20 3i9c n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3i9c n ARG 6 N -0.30 0.00 0.00 5.56 0.63 -1.26 -5.17 116.66 116.12 3i9c n ARG 6 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3i9c n ARG 6 Cb 0.67 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.58 3i9c n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i9c n MET 7 N -0.17 0.00 0.12 -0.14 0.00 -1.26 -5.01 117.12 110.66 3i9c n MET 7 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.70 57.78 3i9c n MET 7 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 33.22 33.65 3i9c n MET 7 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 3i9c n LYS 8 N 0.00 0.10 -4.22 3.17 2.85 -1.26 -4.41 118.16 114.40 3i9c n LYS 8 Ca 0.00 0.60 -0.20 0.00 -1.05 0.00 0.00 58.31 57.66 3i9c n LYS 8 Cb 0.00 -1.85 -0.16 0.00 -0.65 0.00 0.00 35.03 32.36 3i9c n LYS 8 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3i9c s TYR 9 N -3.40 0.80 -0.07 5.58 2.02 -1.26 -5.08 117.35 115.94 3i9c s TYR 9 Ca -0.02 -0.23 -0.26 0.00 -0.37 0.00 0.00 57.07 56.19 3i9c s TYR 9 Cb 0.05 -0.68 -0.24 0.00 -0.40 0.00 0.00 41.96 40.68 3i9c s TYR 9 CO 0.14 -0.18 0.98 0.00 -1.57 0.00 0.00 175.55 174.92 3i9c h ARG 10 N 7.08 0.09 -6.69 -0.62 2.47 -2.02 -3.46 114.38 111.23 3i9c h ARG 10 Ca -0.37 -0.10 -0.69 0.00 -1.26 0.00 0.00 59.98 57.55 3i9c h ARG 10 Cb 1.16 0.03 -0.26 0.00 -1.65 0.00 0.00 29.97 29.25 3i9c h ARG 10 CO 0.48 0.88 -0.87 0.15 0.56 0.00 0.00 179.97 181.17 3i9c s LYS 11 N -3.02 1.90 0.03 0.04 1.02 -1.26 -4.87 119.74 113.58 3i9c s LYS 11 Ca -0.17 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 54.77 3i9c s LYS 11 Cb -0.00 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.26 3i9c s LYS 11 CO 0.72 0.53 -0.05 1.14 -0.92 0.00 0.00 175.35 176.76 3i9c s GLN 12 N -1.18 0.41 0.23 1.68 -2.07 -1.26 -5.09 119.66 112.38 3i9c s GLN 12 Ca 0.12 -0.65 -0.30 0.00 -1.82 0.00 0.00 55.36 52.72 3i9c s GLN 12 Cb -0.10 -0.11 -0.15 0.00 -1.09 0.00 0.00 33.01 31.55 3i9c s GLN 12 CO 0.02 0.01 0.90 1.04 -1.32 0.00 0.00 175.29 175.94 3i9c n GLN 13 N 1.63 0.86 -0.23 9.60 6.02 -1.26 -4.89 117.38 129.10 3i9c n GLN 13 Ca -0.23 0.30 -0.01 0.00 -0.01 0.00 0.00 57.00 57.06 3i9c n GLN 13 Cb 0.55 -1.59 0.11 0.00 1.02 0.00 0.00 30.24 30.33 3i9c n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i9c h ARG 14 N 2.03 0.63 -3.86 -1.09 3.08 -2.00 -3.49 114.38 109.68 3i9c h ARG 14 Ca -0.37 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3i9c h ARG 14 Cb 1.37 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3i9c h ARG 14 CO 0.62 0.42 -0.86 0.41 -1.07 0.00 0.00 179.97 179.48 3i9c n GLY 15 N -1.29 -4.21 3.78 0.04 0.00 -1.26 -4.93 105.19 97.31 3i9c n GLY 15 Ca 0.09 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3i9c n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i9c s ARG 16 N -3.17 4.18 -1.15 1.61 3.52 -1.26 -5.02 118.95 117.66 3i9c s ARG 16 Ca 0.00 0.54 -0.21 0.00 -0.13 0.00 0.00 55.73 55.93 3i9c s ARG 16 Cb 0.00 -3.31 0.05 0.00 -1.56 0.00 0.00 34.95 30.12 3i9c s ARG 16 CO 0.00 0.45 1.63 -0.51 -0.81 0.00 0.00 175.30 176.06 3i9c s LEU 17 N -0.38 3.62 0.04 -0.88 1.43 -1.26 -4.89 118.68 116.36 3i9c s LEU 17 Ca 0.27 -1.88 -0.30 0.00 -1.03 0.00 0.00 54.13 51.18 3i9c s LEU 17 Cb -0.17 -2.58 -0.18 0.00 0.03 0.00 0.00 46.19 43.30 3i9c s LEU 17 CO 0.14 -1.48 1.42 0.11 0.23 0.00 0.00 176.35 176.77 3i9c h LYS 18 N 8.84 -0.81 0.00 1.70 1.57 -2.03 -3.49 116.57 122.35 3i9c h LYS 18 Ca 0.31 0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 59.05 3i9c h LYS 18 Cb 0.94 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 3i9c h LYS 18 CO 1.42 -0.50 -0.08 0.41 -0.57 0.00 0.00 179.45 180.13 3i9c n GLY 19 N -1.05 3.51 3.67 3.86 0.00 -1.26 -5.13 105.19 108.79 3i9c n GLY 19 Ca -0.13 -1.63 -0.46 0.00 0.00 0.00 0.00 46.02 43.80 3i9c n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9c n ALA 20 N -2.48 1.25 -0.47 4.61 0.00 -1.26 -4.32 120.51 117.83 3i9c n ALA 20 Ca -0.03 0.44 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 3i9c n ALA 20 Cb 0.14 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 3i9c n ALA 20 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i9c n THR 21 N 3.43 0.00 0.28 0.00 5.66 0.38 -4.72 114.28 119.31 3i9c n THR 21 Ca 0.17 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.29 3i9c n THR 21 Cb 0.28 -0.12 0.78 0.00 -1.55 0.00 0.00 70.33 69.72 3i9c n THR 21 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 3i9c h LYS 22 N 1.31 0.00 -2.42 1.09 5.09 -1.88 -3.46 116.57 116.31 3i9c h LYS 22 Ca -0.12 0.00 0.14 0.00 0.09 0.00 0.00 60.65 60.76 3i9c h LYS 22 Cb 0.38 0.00 -0.10 0.00 0.10 0.00 0.00 32.23 32.61 3i9c h LYS 22 CO 0.26 0.02 0.45 0.20 -2.09 0.00 0.00 179.45 178.29 3i9c s GLY 23 N -4.11 -0.29 0.00 0.07 0.00 -1.26 -4.98 107.32 96.75 3i9c s GLY 23 Ca -0.05 0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.98 3i9c s GLY 23 CO 0.60 0.08 0.00 0.61 0.00 0.00 0.00 173.10 174.39 3i9c n GLY 24 N -0.41 1.15 0.12 0.20 0.00 -1.26 -4.80 105.19 100.18 3i9c n GLY 24 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 3i9c n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3i9c h ASP 25 N 0.00 0.00 -2.05 1.61 3.04 -1.92 -3.24 116.42 113.87 3i9c h ASP 25 Ca 0.00 0.00 -0.60 0.00 -3.24 0.00 0.00 57.03 53.19 3i9c h ASP 25 Cb 0.00 0.00 0.17 0.00 -1.04 0.00 0.00 39.33 38.46 3i9c h ASP 25 CO 0.00 0.67 -1.00 -1.22 -2.04 0.00 0.00 179.24 175.65 3i9c n TYR 26 N -3.34 -2.40 0.54 4.15 4.01 -1.26 -4.61 117.16 114.25 3i9c n TYR 26 Ca 0.01 0.50 0.04 0.00 -0.16 0.00 0.00 57.90 58.29 3i9c n TYR 26 Cb 0.77 -1.75 0.24 0.00 -0.31 0.00 0.00 39.34 38.29 3i9c n TYR 26 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3i9c n VAL 27 N -1.40 0.00 -2.09 -0.72 0.24 -1.26 -4.89 118.33 108.20 3i9c n VAL 27 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 3i9c n VAL 27 Cb 0.45 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 3i9c n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i9c n ALA 28 N -0.97 0.00 -2.84 2.33 0.00 -1.26 -4.73 120.51 113.04 3i9c n ALA 28 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 3i9c n ALA 28 Cb 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 3i9c n ALA 28 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3i9c s PHE 29 N 0.00 3.20 0.00 0.00 -0.71 -1.26 -4.98 117.98 114.23 3i9c s PHE 29 Ca 0.00 0.01 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 3i9c s PHE 29 Cb 0.00 -2.02 0.00 0.00 -1.21 0.00 0.00 43.02 39.79 3i9c s PHE 29 CO 0.00 0.16 0.00 0.41 -1.34 0.00 0.00 175.22 174.45 3i9c n GLY 30 N 3.35 3.64 0.32 1.99 0.00 -1.26 -4.91 105.19 108.31 3i9c n GLY 30 Ca -0.17 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 3i9c n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i9c h ASP 31 N 0.00 -0.65 -2.54 1.61 3.32 -1.25 -3.46 116.42 113.45 3i9c h ASP 31 Ca 0.00 0.02 -0.62 0.00 0.02 0.00 0.00 57.03 56.46 3i9c h ASP 31 Cb 0.00 0.17 -0.15 0.00 0.22 0.00 0.00 39.33 39.57 3i9c h ASP 31 CO 0.00 -0.46 -0.76 -0.31 -1.72 0.00 0.00 179.24 175.99 3i9c s TYR 32 N -6.08 2.37 0.02 4.55 1.51 -0.88 -4.23 117.35 114.62 3i9c s TYR 32 Ca -0.17 -0.31 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 3i9c s TYR 32 Cb 0.04 -1.08 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 3i9c s TYR 32 CO 0.63 0.63 0.06 0.20 -1.11 0.00 0.00 175.55 175.96 3i9c s GLY 33 N -3.25 0.16 -0.28 0.71 0.00 -1.12 -1.42 107.32 102.13 3i9c s GLY 33 Ca 0.27 -0.44 -0.03 0.00 0.00 0.00 0.00 44.72 44.52 3i9c s GLY 33 CO 0.14 -0.56 -0.01 -2.27 0.00 0.00 0.00 173.10 170.41 3i9c s LEU 34 N -1.65 3.57 -0.04 0.66 2.96 -1.20 0.24 118.68 123.22 3i9c s LEU 34 Ca -0.12 -0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 52.80 3i9c s LEU 34 Cb -0.06 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3i9c s LEU 34 CO -0.01 -0.19 0.16 0.54 -1.32 0.00 0.00 176.35 175.54 3i9c s VAL 35 N 1.35 5.40 0.25 1.68 0.11 0.53 -1.39 120.40 128.33 3i9c s VAL 35 Ca -0.01 -0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 58.92 3i9c s VAL 35 Cb -0.18 -3.48 -0.05 0.00 -1.53 0.00 0.00 36.38 31.14 3i9c s VAL 35 CO -0.02 0.40 0.51 0.00 -3.33 0.00 0.00 175.10 172.67 3i9c s ALA 36 N -1.24 3.67 -0.01 1.54 0.00 -0.98 -1.26 121.76 123.48 3i9c s ALA 36 Ca 0.24 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.69 3i9c s ALA 36 Cb -0.12 -2.25 -0.10 0.00 0.00 0.00 0.00 23.12 20.65 3i9c s ALA 36 CO 0.15 0.35 0.13 1.28 0.00 0.00 0.00 175.76 177.66 3i9c n LEU 37 N -0.70 0.00 -4.26 0.00 4.77 -1.15 -2.73 117.00 112.93 3i9c n LEU 37 Ca -0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.66 3i9c n LEU 37 Cb 0.53 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.47 3i9c n LEU 37 CO 0.48 0.00 -0.55 -1.61 -1.33 0.00 0.00 177.39 174.38 3i9c s GLU 38 N -2.42 2.16 0.16 3.23 2.02 -1.26 -4.77 118.70 117.82 3i9c s GLU 38 Ca -0.02 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.80 3i9c s GLU 38 Cb 0.04 -1.96 -0.08 0.00 0.10 0.00 0.00 34.13 32.22 3i9c s GLU 38 CO 0.26 0.45 1.29 -1.25 0.02 0.00 0.00 175.26 176.02 3i9c s PRO 39 N -0.37 4.40 -0.11 0.39 0.04 -1.26 -4.61 135.00 133.48 3i9c s PRO 39 Ca 0.04 1.99 -0.32 0.00 0.04 0.00 0.00 61.00 62.74 3i9c s PRO 39 Cb -0.11 -3.23 0.12 0.00 0.04 0.00 0.00 34.50 31.32 3i9c s PRO 39 CO 0.01 -0.26 1.07 0.00 0.04 0.00 0.00 177.00 177.86 3i9c s ALA 40 N 0.41 -1.96 0.28 8.56 0.00 -0.97 -5.00 121.76 123.08 3i9c s ALA 40 Ca 0.58 1.34 -0.19 0.00 0.00 0.00 0.00 51.96 53.69 3i9c s ALA 40 Cb -0.35 0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 3i9c s ALA 40 CO 0.35 -0.64 0.77 -1.58 0.00 0.00 0.00 175.76 174.67 3i9c s TRP 41 N -2.73 3.55 -0.17 0.00 0.51 -1.26 -1.76 118.94 117.09 3i9c s TRP 41 Ca 0.07 1.40 0.01 0.00 -2.12 0.00 0.00 56.10 55.46 3i9c s TRP 41 Cb -0.01 -2.65 0.02 0.00 -0.81 0.00 0.00 33.47 30.03 3i9c s TRP 41 CO -0.07 0.22 -0.16 0.42 -0.51 0.00 0.00 176.95 176.85 3i9c s ILE 42 N -1.71 1.78 0.56 2.03 1.09 0.24 -4.88 121.20 120.30 3i9c s ILE 42 Ca 0.48 -0.81 -0.19 0.00 -1.10 0.00 0.00 60.65 59.04 3i9c s ILE 42 Cb -0.14 -1.66 -0.05 0.00 -1.06 0.00 0.00 42.46 39.54 3i9c s ILE 42 CO 0.20 0.46 1.12 0.42 -0.10 0.00 0.00 174.94 177.04 3i9c s THR 43 N 1.39 3.19 -0.74 2.92 -4.23 -1.26 -0.07 115.64 116.84 3i9c s THR 43 Ca 0.04 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 3i9c s THR 43 Cb -0.13 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.44 3i9c s THR 43 CO -0.11 -0.19 0.33 0.00 -0.54 0.00 0.00 174.62 174.11 3i9c n ALA 44 N -1.45 1.86 0.00 3.99 0.00 -0.82 -1.10 120.51 122.98 3i9c n ALA 44 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3i9c n ALA 44 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3i9c n ALA 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i9c n GLN 45 N 0.36 0.68 -0.14 0.00 1.13 -1.26 -4.28 117.38 113.87 3i9c n GLN 45 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 3i9c n GLN 45 Cb 0.17 -0.94 0.06 0.00 0.11 0.00 0.00 30.24 29.63 3i9c n GLN 45 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3i9c h GLN 46 N 0.00 0.91 0.30 -1.09 4.20 -1.46 0.34 115.11 118.31 3i9c h GLN 46 Ca 0.00 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 3i9c h GLN 46 Cb 0.89 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 3i9c h GLN 46 CO 0.00 0.99 -0.18 0.82 -0.67 0.00 0.00 178.83 179.79 3i9c h ILE 47 N 0.81 0.00 -0.57 2.54 2.04 -1.70 -0.51 117.51 120.12 3i9c h ILE 47 Ca 0.12 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.07 3i9c h ILE 47 Cb 0.68 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.66 3i9c h ILE 47 CO 0.05 0.00 -0.45 -0.08 0.00 0.00 0.00 178.15 177.67 3i9c h GLU 48 N -0.45 -0.23 -0.91 2.37 4.57 -1.73 0.14 114.58 118.34 3i9c h GLU 48 Ca -0.04 0.02 0.26 0.00 -1.18 0.00 0.00 59.36 58.42 3i9c h GLU 48 Cb 0.36 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 3i9c h GLU 48 CO 0.05 -0.15 0.66 0.00 -1.18 0.00 0.00 179.01 178.38 3i9c h ALA 49 N 0.55 2.86 0.00 2.92 0.00 -0.19 -0.94 119.26 124.46 3i9c h ALA 49 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i9c h ALA 49 Cb 0.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3i9c h ALA 49 CO -0.68 -1.13 -1.35 0.00 0.00 0.00 0.00 179.25 176.08 3i9c n ALA 50 N -2.71 2.87 -0.08 0.00 0.00 0.33 -3.81 120.51 117.12 3i9c n ALA 50 Ca 0.19 -0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 3i9c n ALA 50 Cb 0.98 -0.95 -0.12 0.00 0.00 0.00 0.00 19.45 19.36 3i9c n ALA 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3i9c h ARG 51 N 0.00 0.03 -0.00 0.00 0.11 0.16 -3.21 114.38 111.46 3i9c h ARG 51 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 3i9c h ARG 51 Cb 0.92 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.02 3i9c h ARG 51 CO 0.00 1.03 0.24 -0.24 0.10 0.00 0.00 179.97 181.09 3i9c h VAL 52 N -0.91 0.00 0.11 0.08 3.04 -1.52 0.25 116.25 117.29 3i9c h VAL 52 Ca -0.20 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 3i9c h VAL 52 Cb 1.24 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 3i9c h VAL 52 CO -0.09 0.00 -0.05 0.00 -1.01 0.00 0.00 177.57 176.42 3i9c h ALA 53 N 1.53 -0.14 -0.65 3.17 0.00 -1.66 -2.33 119.26 119.18 3i9c h ALA 53 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3i9c h ALA 53 Cb 0.47 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3i9c h ALA 53 CO -0.00 -0.36 0.07 0.52 0.00 0.00 0.00 179.25 179.48 3i9c h MET 54 N -0.59 1.09 -0.41 0.00 2.86 -0.57 -2.93 114.93 114.39 3i9c h MET 54 Ca -0.01 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 3i9c h MET 54 Cb 0.47 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3i9c h MET 54 CO 0.02 1.02 0.05 -0.24 1.06 0.00 0.00 176.91 178.83 3i9c h VAL 55 N 1.01 1.25 0.00 -2.22 3.04 -1.25 -1.51 116.25 116.57 3i9c h VAL 55 Ca 0.19 -0.91 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 3i9c h VAL 55 Cb 0.48 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 3i9c h VAL 55 CO 0.02 0.31 0.00 -0.09 -1.01 0.00 0.00 177.57 176.80 3i9c h ARG 56 N 0.53 0.00 0.00 4.17 9.65 -1.38 -1.27 114.38 126.07 3i9c h ARG 56 Ca 0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 3i9c h ARG 56 Cb 0.40 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 3i9c h ARG 56 CO 0.01 0.00 0.00 1.58 2.80 0.00 0.00 179.97 184.36 3i9c n HIS 57 N -2.64 0.31 0.00 2.20 -0.00 -0.58 -4.64 115.22 109.87 3i9c n HIS 57 Ca -0.00 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.27 3i9c n HIS 57 Cb 0.16 -0.65 0.00 0.00 -0.12 0.00 0.00 29.99 29.38 3i9c n HIS 57 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3i9c n PHE 58 N -1.76 0.00 0.00 1.57 0.99 -0.52 -5.07 117.46 112.67 3i9c n PHE 58 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 3i9c n PHE 58 Cb 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.83 3i9c n PHE 58 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 3i9c n ARG 59 N -0.42 0.00 0.00 -1.08 0.00 -0.96 -4.98 116.66 109.22 3i9c n ARG 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i9c n ARG 59 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 3i9c n ARG 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i9c n ARG 60 N 0.00 0.00 0.00 2.89 1.74 -1.23 -5.07 116.66 114.99 3i9c n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i9c n ARG 60 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i9c n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9c n GLY 61 N -1.49 1.14 4.78 -0.13 0.00 -1.26 -4.61 105.19 103.61 3i9c n GLY 61 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3i9c n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9c n GLY 62 N 5.00 0.00 3.74 -0.02 0.00 -1.26 -4.36 105.19 108.29 3i9c n GLY 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9c n GLY 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i9c n LYS 63 N 0.00 0.00 0.00 1.61 4.81 -1.26 -2.33 118.16 120.99 3i9c n LYS 63 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i9c n LYS 63 Cb 0.00 -3.52 0.00 0.00 0.02 0.00 0.00 35.03 31.53 3i9c n LYS 63 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3i9c n ILE 64 N -2.00 0.00 -3.23 3.15 -0.00 -1.25 -4.84 119.36 111.19 3i9c n ILE 64 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.36 3i9c n ILE 64 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 39.57 3i9c n ILE 64 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 3i9c s PHE 65 N 0.00 3.37 0.10 4.28 0.08 -0.31 -4.87 117.98 120.63 3i9c s PHE 65 Ca 0.00 0.78 -0.30 0.00 0.12 0.00 0.00 56.93 57.53 3i9c s PHE 65 Cb 0.00 -2.69 -0.11 0.00 -0.57 0.00 0.00 43.02 39.65 3i9c s PHE 65 CO 0.00 -0.12 1.61 -0.84 -0.10 0.00 0.00 175.22 175.77 3i9c h ILE 66 N 5.14 0.26 0.00 0.64 -2.65 -1.89 -1.63 117.51 117.38 3i9c h ILE 66 Ca -0.33 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.56 3i9c h ILE 66 Cb 1.15 0.26 0.00 0.00 -2.05 0.00 0.00 36.82 36.18 3i9c h ILE 66 CO 0.74 0.00 0.00 -1.14 0.03 0.00 0.00 178.15 177.78 3i9c n ARG 67 N -5.45 0.00 -4.35 0.16 3.00 -1.26 -0.70 116.66 108.06 3i9c n ARG 67 Ca -0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.46 3i9c n ARG 67 Cb 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.71 3i9c n ARG 67 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 3i9c s ILE 68 N -0.41 3.29 -0.06 5.15 -4.36 -1.26 -4.99 121.20 118.55 3i9c s ILE 68 Ca 0.00 -1.18 -0.00 0.00 -0.26 0.00 0.00 60.65 59.21 3i9c s ILE 68 Cb 0.00 -2.49 0.03 0.00 1.25 0.00 0.00 42.46 41.24 3i9c s ILE 68 CO 0.00 0.20 -0.02 0.12 0.24 0.00 0.00 174.94 175.48 3i9c s PHE 69 N -1.12 0.76 -0.88 1.37 5.36 -1.26 -5.08 117.98 117.13 3i9c s PHE 69 Ca 0.19 -0.23 -0.25 0.00 -0.96 0.00 0.00 56.93 55.68 3i9c s PHE 69 Cb -0.11 -0.78 0.01 0.00 -0.34 0.00 0.00 43.02 41.80 3i9c s PHE 69 CO 0.11 -0.29 1.58 -1.25 -1.46 0.00 0.00 175.22 173.91 3i9c s PRO 70 N 1.54 3.14 -0.00 10.12 0.04 -1.26 -4.47 135.00 144.11 3i9c s PRO 70 Ca -0.01 -0.52 0.03 0.00 0.04 0.00 0.00 61.00 60.54 3i9c s PRO 70 Cb -0.13 -4.91 -0.03 0.00 0.04 0.00 0.00 34.50 29.46 3i9c s PRO 70 CO -0.04 -2.54 0.11 -0.40 0.04 0.00 0.00 177.00 174.18 3i9c n ASP 71 N 10.68 0.92 -4.65 6.66 5.75 -1.19 -4.32 116.55 130.41 3i9c n ASP 71 Ca 0.27 -0.46 -0.41 0.00 -0.01 0.00 0.00 54.79 54.18 3i9c n ASP 71 Cb 0.50 1.03 -0.05 0.00 -1.03 0.00 0.00 41.12 41.56 3i9c n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3i9c s LYS 72 N -1.45 4.21 0.21 0.11 2.20 -1.03 -4.91 119.74 119.07 3i9c s LYS 72 Ca 0.01 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 3i9c s LYS 72 Cb 0.02 -3.61 -0.08 0.00 -1.51 0.00 0.00 37.83 32.65 3i9c s LYS 72 CO 0.12 -0.37 1.18 -2.14 -0.36 0.00 0.00 175.35 173.78 3i9c s PRO 73 N 2.34 4.51 -0.24 4.03 0.02 -1.26 0.11 135.00 144.51 3i9c s PRO 73 Ca 0.32 1.87 -0.05 0.00 0.02 0.00 0.00 61.00 63.16 3i9c s PRO 73 Cb -0.16 -3.23 -0.01 0.00 0.02 0.00 0.00 34.50 31.13 3i9c s PRO 73 CO 0.10 -0.04 0.01 -0.47 -0.33 0.00 0.00 177.00 176.27 3i9c s TYR 74 N -0.28 3.04 0.10 6.54 5.04 -1.01 -4.62 117.35 126.16 3i9c s TYR 74 Ca 0.51 -0.83 0.02 0.00 -2.44 0.00 0.00 57.07 54.34 3i9c s TYR 74 Cb -0.33 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 39.77 3i9c s TYR 74 CO 0.38 -0.51 0.16 0.95 -1.34 0.00 0.00 175.55 175.20 3i9c s THR 75 N 1.51 4.93 -0.27 4.34 -4.23 -1.26 0.11 115.64 120.77 3i9c s THR 75 Ca 0.05 -0.68 -0.13 0.00 -1.18 0.00 0.00 61.69 59.75 3i9c s THR 75 Cb -0.15 -3.43 0.09 0.00 1.34 0.00 0.00 72.50 70.35 3i9c s THR 75 CO -0.00 0.06 0.63 -0.75 -0.54 0.00 0.00 174.62 174.02 3i9c s LYS 76 N -2.68 0.62 0.66 3.99 2.20 -1.26 -4.84 119.74 118.42 3i9c s LYS 76 Ca 0.32 1.23 -0.16 0.00 -0.36 0.00 0.00 55.97 57.00 3i9c s LYS 76 Cb -0.12 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 3i9c s LYS 76 CO 0.25 -0.17 1.18 0.15 -0.36 0.00 0.00 175.35 176.40 3i9c s LYS 77 N 2.01 2.63 0.12 4.03 1.02 -1.26 -3.29 119.74 124.99 3i9c s LYS 77 Ca -0.08 1.68 -0.23 0.00 0.02 0.00 0.00 55.97 57.36 3i9c s LYS 77 Cb -0.08 -1.90 -0.06 0.00 -0.52 0.00 0.00 37.83 35.27 3i9c s LYS 77 CO -0.19 -1.44 1.40 -1.35 -0.92 0.00 0.00 175.35 172.86 3i9c h PRO 78 N 0.24 -0.04 0.00 -1.68 0.11 -1.98 -3.44 132.00 125.21 3i9c h PRO 78 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i9c h PRO 78 Cb 1.28 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3i9c h PRO 78 CO 0.53 -0.03 0.00 1.28 -0.21 0.00 0.00 178.00 179.57 3i9c n LEU 79 N -4.68 0.00 0.00 2.35 4.77 -1.26 -5.16 117.00 113.01 3i9c n LEU 79 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3i9c n LEU 79 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3i9c n LEU 79 CO -0.10 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.34 3i9c n GLU 80 N 0.00 2.00 0.00 3.23 -0.58 -1.26 -5.16 120.64 118.87 3i9c n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i9c n GLU 80 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i9c n GLU 80 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i9c n VAL 81 N 0.00 0.00 -2.29 2.62 0.31 -1.26 -4.98 118.33 112.73 3i9c n VAL 81 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 3i9c n VAL 81 Cb 0.00 -0.88 0.01 0.00 -0.91 0.00 0.00 33.84 32.06 3i9c n VAL 81 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3i9c n ARG 82 N 0.00 3.26 -0.51 5.55 0.00 -1.26 -4.93 116.66 118.77 3i9c n ARG 82 Ca 0.00 -4.23 -0.19 0.00 -0.00 0.00 0.00 57.85 53.43 3i9c n ARG 82 Cb 0.00 -2.26 -0.03 0.00 -0.00 0.00 0.00 32.46 30.18 3i9c n ARG 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 3i9c n MET 83 N -0.52 1.06 0.00 2.89 1.56 -1.26 -4.73 117.12 116.13 3i9c n MET 83 Ca 0.43 -1.12 0.00 0.00 -0.27 0.00 0.00 57.70 56.74 3i9c n MET 83 Cb 0.58 -2.36 0.00 0.00 2.15 0.00 0.00 33.22 33.59 3i9c n MET 83 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3i9c n GLY 84 N 4.07 -0.51 3.89 -5.12 0.00 -1.26 -5.02 105.19 101.24 3i9c n GLY 84 Ca 0.30 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 3i9c n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i9c s LYS 85 N 0.00 3.70 0.34 1.61 2.47 -1.26 -5.02 119.74 121.58 3i9c s LYS 85 Ca 0.00 0.16 -0.24 0.00 -1.56 0.00 0.00 55.97 54.33 3i9c s LYS 85 Cb 0.00 -2.60 -0.15 0.00 -1.46 0.00 0.00 37.83 33.61 3i9c s LYS 85 CO 0.00 0.20 0.37 0.41 0.16 0.00 0.00 175.35 176.49 3i9c n GLY 86 N -0.77 -2.02 0.36 5.54 0.00 -1.26 -4.75 105.19 102.28 3i9c n GLY 86 Ca -0.00 0.13 0.17 0.00 0.00 0.00 0.00 46.02 46.32 3i9c n GLY 86 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i9c h LYS 87 N 0.73 0.00 -0.53 1.61 1.63 -1.91 -3.44 116.57 114.67 3i9c h LYS 87 Ca -0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 3i9c h LYS 87 Cb 1.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 3i9c h LYS 87 CO 0.52 0.00 -0.13 0.41 -3.45 0.00 0.00 179.45 176.80 3i9c n GLY 88 N -1.33 -3.22 5.81 5.01 0.00 -1.26 -4.85 105.19 105.35 3i9c n GLY 88 Ca 0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3i9c n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i9c n ASN 89 N -0.98 0.00 0.00 1.61 5.03 0.29 -4.76 115.26 116.45 3i9c n ASN 89 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3i9c n ASN 89 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3i9c n ASN 89 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3i9c n VAL 90 N 0.00 0.00 0.00 2.41 0.31 -1.26 -2.89 118.33 116.90 3i9c n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i9c n VAL 90 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i9c n VAL 90 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i9c n GLU 91 N -1.77 0.00 -0.85 5.55 2.13 -1.26 -5.15 120.64 119.28 3i9c n GLU 91 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3i9c n GLU 91 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3i9c n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i9c n GLY 92 N -0.83 0.35 3.65 8.31 0.00 -1.14 -4.99 105.19 110.53 3i9c n GLY 92 Ca 0.00 -1.45 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 3i9c n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i9c s TYR 93 N -3.44 2.54 0.16 1.61 1.51 -1.26 -2.39 117.35 116.08 3i9c s TYR 93 Ca 0.00 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 3i9c s TYR 93 Cb 0.00 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 40.01 3i9c s TYR 93 CO 0.00 0.38 -0.02 0.14 -1.11 0.00 0.00 175.55 174.95 3i9c s VAL 94 N -2.66 0.73 -0.16 0.71 -7.23 0.12 -1.94 120.40 109.96 3i9c s VAL 94 Ca 0.37 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.51 3i9c s VAL 94 Cb 0.07 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 3i9c s VAL 94 CO 0.19 -0.55 -0.02 0.00 -0.31 0.00 0.00 175.10 174.41 3i9c s ALA 95 N -3.62 3.08 -1.09 1.32 0.00 0.90 -2.47 121.76 119.87 3i9c s ALA 95 Ca 0.22 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 3i9c s ALA 95 Cb 0.06 -1.63 0.05 0.00 0.00 0.00 0.00 23.12 21.60 3i9c s ALA 95 CO 0.02 0.20 1.56 0.08 0.00 0.00 0.00 175.76 177.63 3i9c s VAL 96 N 0.37 3.94 -1.00 0.00 1.01 -1.26 -0.60 120.40 122.87 3i9c s VAL 96 Ca -0.03 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.73 3i9c s VAL 96 Cb -0.14 -5.03 0.15 0.00 0.00 0.00 0.00 36.38 31.36 3i9c s VAL 96 CO 0.02 -1.89 1.17 -0.69 0.00 0.00 0.00 175.10 173.71 3i9c s VAL 97 N 5.16 4.93 0.93 2.92 1.01 -0.72 -4.99 120.40 129.65 3i9c s VAL 97 Ca 0.50 -1.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.36 3i9c s VAL 97 Cb 0.01 -4.78 0.15 0.00 0.00 0.00 0.00 36.38 31.76 3i9c s VAL 97 CO -0.04 -1.48 1.13 -0.54 0.00 0.00 0.00 175.10 174.17 3i9c s LYS 98 N 2.03 0.97 0.22 2.72 1.02 -1.26 -2.28 119.74 123.16 3i9c s LYS 98 Ca 0.34 0.32 -0.30 0.00 0.02 0.00 0.00 55.97 56.35 3i9c s LYS 98 Cb -0.05 -1.82 -0.09 0.00 -0.52 0.00 0.00 37.83 35.35 3i9c s LYS 98 CO -0.07 -2.32 1.29 -1.25 -0.92 0.00 0.00 175.35 172.07 3i9c s PRO 99 N -5.22 4.41 0.00 -1.68 0.04 -1.26 -3.25 135.00 128.04 3i9c s PRO 99 Ca 0.64 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.73 3i9c s PRO 99 Cb -0.15 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.21 3i9c s PRO 99 CO 0.54 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.79 3i9c n GLY 100 N 2.05 2.43 3.33 0.56 0.00 -1.10 0.14 105.19 112.60 3i9c n GLY 100 Ca 0.05 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 3i9c n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i9c n ARG 101 N 0.00 -0.16 -5.01 1.61 3.00 -1.20 -4.54 116.66 110.35 3i9c n ARG 101 Ca 0.00 -0.01 -0.29 0.00 -0.00 0.00 0.00 57.85 57.55 3i9c n ARG 101 Cb 0.00 -1.67 -0.17 0.00 0.00 0.00 0.00 32.46 30.62 3i9c n ARG 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3i9c s VAL 102 N -2.26 1.73 -0.02 5.15 -7.23 -1.22 -2.31 120.40 114.24 3i9c s VAL 102 Ca 0.54 -0.85 0.03 0.00 -1.81 0.00 0.00 61.98 59.90 3i9c s VAL 102 Cb -0.22 -1.50 -0.00 0.00 0.56 0.00 0.00 36.38 35.21 3i9c s VAL 102 CO 0.70 0.49 -0.10 -0.04 -0.31 0.00 0.00 175.10 175.83 3i9c s MET 103 N 0.28 0.93 -0.06 4.82 1.00 -0.49 -4.66 119.30 121.12 3i9c s MET 103 Ca -0.13 -0.36 -0.04 0.00 0.00 0.00 0.00 55.69 55.16 3i9c s MET 103 Cb -0.16 -0.88 0.02 0.00 0.00 0.00 0.00 34.83 33.81 3i9c s MET 103 CO 0.06 0.18 0.09 1.19 0.00 0.00 0.00 175.02 176.54 3i9c n PHE 104 N 3.02 -2.47 -4.07 -0.03 3.01 0.12 -3.72 117.46 113.33 3i9c n PHE 104 Ca -0.16 1.45 -0.32 0.00 1.01 0.00 0.00 57.45 59.44 3i9c n PHE 104 Cb 0.55 -2.86 -0.15 0.00 -0.01 0.00 0.00 39.48 37.01 3i9c n PHE 104 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3i9c s GLU 105 N -0.98 2.37 0.58 -1.08 2.12 -0.61 -3.22 118.70 117.88 3i9c s GLU 105 Ca -0.10 -1.13 -0.06 0.00 0.36 0.00 0.00 54.97 54.04 3i9c s GLU 105 Cb 0.01 -2.73 0.01 0.00 0.26 0.00 0.00 34.13 31.68 3i9c s GLU 105 CO 0.28 -0.46 0.89 0.14 -0.54 0.00 0.00 175.26 175.57 3i9c s VAL 106 N 1.21 3.67 -0.15 3.70 -7.23 -0.51 -1.16 120.40 119.93 3i9c s VAL 106 Ca -0.04 -0.02 -0.23 0.00 -1.81 0.00 0.00 61.98 59.88 3i9c s VAL 106 Cb -0.18 -3.45 0.06 0.00 0.56 0.00 0.00 36.38 33.37 3i9c s VAL 106 CO -0.08 -0.46 0.58 0.00 -0.31 0.00 0.00 175.10 174.84 3i9c s ALA 107 N -2.97 -1.46 -1.04 1.32 0.00 -0.98 -0.69 121.76 115.94 3i9c s ALA 107 Ca 0.54 1.41 -0.06 0.00 0.00 0.00 0.00 51.96 53.85 3i9c s ALA 107 Cb -0.10 -0.59 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 3i9c s ALA 107 CO 0.45 -0.30 0.91 0.41 0.00 0.00 0.00 175.76 177.23 3i9c n GLY 108 N 2.09 -1.17 3.56 0.00 0.00 -1.26 -3.98 105.19 104.43 3i9c n GLY 108 Ca -0.16 0.58 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 3i9c n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9c s VAL 109 N -3.38 -0.00 -0.41 1.61 1.01 -1.26 -4.62 120.40 113.35 3i9c s VAL 109 Ca 0.44 0.00 -0.45 0.00 0.00 0.00 0.00 61.98 61.97 3i9c s VAL 109 Cb -0.06 -0.91 -0.19 0.00 0.00 0.00 0.00 36.38 35.22 3i9c s VAL 109 CO 0.74 0.00 1.60 0.35 0.00 0.00 0.00 175.10 177.79 3i9c n THR 110 N 2.73 0.07 0.15 3.92 -2.24 -1.26 -4.48 114.28 113.17 3i9c n THR 110 Ca -0.14 -0.01 0.06 0.00 -2.27 0.00 0.00 64.05 61.69 3i9c n THR 110 Cb 0.55 -0.64 0.09 0.00 -2.10 0.00 0.00 70.33 68.24 3i9c n THR 110 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i9c n GLU 111 N 4.13 0.02 0.17 -0.78 2.13 -1.26 0.13 120.64 125.17 3i9c n GLU 111 Ca 0.29 0.78 -0.06 0.00 0.66 0.00 0.00 57.16 58.82 3i9c n GLU 111 Cb -0.01 -2.05 -0.03 0.00 0.27 0.00 0.00 31.44 29.62 3i9c n GLU 111 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3i9c h GLU 112 N 0.00 -0.41 -0.55 5.31 5.08 -1.98 -0.35 114.58 121.68 3i9c h GLU 112 Ca 0.10 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 3i9c h GLU 112 Cb 1.80 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 31.06 3i9c h GLU 112 CO -0.00 -0.27 0.12 1.96 -1.00 0.00 0.00 179.01 179.82 3i9c h GLN 113 N -0.42 0.25 0.24 2.33 7.50 -0.62 -2.11 115.11 122.27 3i9c h GLN 113 Ca -0.04 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.09 3i9c h GLN 113 Cb 0.32 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.76 3i9c h GLN 113 CO 0.07 0.17 -0.49 0.00 -1.50 0.00 0.00 178.83 177.08 3i9c h ALA 114 N 1.43 -1.03 0.00 3.87 0.00 -1.47 0.44 119.26 122.50 3i9c h ALA 114 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i9c h ALA 114 Cb 0.39 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3i9c h ALA 114 CO -0.36 -1.12 0.00 -0.12 0.00 0.00 0.00 179.25 177.65 3i9c n MET 115 N -5.30 0.19 -0.11 0.00 0.00 -0.14 -2.19 117.12 109.56 3i9c n MET 115 Ca -0.09 0.10 -0.24 0.00 -0.00 0.00 0.00 57.70 57.47 3i9c n MET 115 Cb 0.40 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 32.01 3i9c n MET 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3i9c n GLU 116 N -1.14 0.63 -0.02 2.12 4.07 0.74 -3.72 120.64 123.32 3i9c n GLU 116 Ca 0.05 0.29 -0.05 0.00 -0.06 0.00 0.00 57.16 57.39 3i9c n GLU 116 Cb 0.05 -1.58 0.15 0.00 -0.06 0.00 0.00 31.44 30.00 3i9c n GLU 116 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i9c h ALA 117 N -0.47 0.98 0.00 4.31 0.00 -0.01 -1.80 119.26 122.27 3i9c h ALA 117 Ca -0.56 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 53.94 3i9c h ALA 117 Cb 1.70 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 3i9c h ALA 117 CO -0.22 0.60 -0.16 -0.07 0.00 0.00 0.00 179.25 179.41 3i9c h LEU 118 N 0.49 0.00 0.36 0.00 3.38 -1.64 -1.28 115.31 116.63 3i9c h LEU 118 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3i9c h LEU 118 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3i9c h LEU 118 CO 0.06 0.16 -0.17 -0.09 0.09 0.00 0.00 178.44 178.48 3i9c h ARG 119 N 0.00 -0.47 -0.64 1.13 2.43 -1.42 -3.03 114.38 112.38 3i9c h ARG 119 Ca -0.00 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 3i9c h ARG 119 Cb 0.48 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 3i9c h ARG 119 CO 0.02 -0.17 0.20 0.82 -1.51 0.00 0.00 179.97 179.33 3i9c h ILE 120 N -1.00 0.69 -0.76 1.20 1.08 -1.27 -2.16 117.51 115.29 3i9c h ILE 120 Ca -0.05 -0.12 0.10 0.00 -0.39 0.00 0.00 64.86 64.40 3i9c h ILE 120 Cb 0.51 0.31 -0.07 0.00 -3.07 0.00 0.00 36.82 34.49 3i9c h ILE 120 CO 0.08 0.06 0.40 0.00 -0.69 0.00 0.00 178.15 178.00 3i9c h ALA 121 N 1.47 1.06 0.00 1.87 0.00 -1.31 -1.40 119.26 120.96 3i9c h ALA 121 Ca 0.33 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3i9c h ALA 121 Cb 0.47 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3i9c h ALA 121 CO -0.37 -0.01 -0.12 0.78 0.00 0.00 0.00 179.25 179.54 3i9c h GLY 122 N 0.66 0.00 2.00 0.00 0.00 -1.26 -1.91 103.07 102.57 3i9c h GLY 122 Ca 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 3i9c h GLY 122 CO -0.27 0.00 -0.14 0.45 0.00 0.00 0.00 176.54 176.58 3i9c h HIS 123 N 0.00 0.00 -0.29 5.60 -0.00 -1.17 -2.94 115.15 116.36 3i9c h HIS 123 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3i9c h HIS 123 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 3i9c h HIS 123 CO 0.00 0.14 0.00 1.63 -0.00 0.00 0.00 177.93 179.70 3i9c n LYS 124 N -3.18 2.09 -4.39 2.45 4.76 -0.72 -4.91 118.16 114.24 3i9c n LYS 124 Ca 0.02 -1.64 -0.31 0.00 -2.87 0.00 0.00 58.31 53.51 3i9c n LYS 124 Cb 0.50 -1.44 -0.11 0.00 -1.84 0.00 0.00 35.03 32.15 3i9c n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i9c s LEU 125 N -1.48 2.99 0.00 -0.35 1.43 -1.11 -4.85 118.68 115.32 3i9c s LEU 125 Ca 0.35 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3i9c s LEU 125 Cb 0.19 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.65 3i9c s LEU 125 CO 0.28 0.23 0.28 -0.81 0.23 0.00 0.00 176.35 176.56 3i9c n PRO 126 N 1.15 0.35 -4.22 1.29 -0.04 -1.26 -4.75 135.00 127.52 3i9c n PRO 126 Ca -0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 3i9c n PRO 126 Cb 0.52 -1.06 -0.09 0.00 -0.04 0.00 0.00 33.50 32.83 3i9c n PRO 126 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i9c s ILE 127 N -1.64 0.00 -0.43 0.52 1.01 -1.26 -5.05 121.20 114.35 3i9c s ILE 127 Ca 0.00 -1.98 -0.19 0.00 0.00 0.00 0.00 60.65 58.48 3i9c s ILE 127 Cb 0.00 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 40.00 3i9c s ILE 127 CO 0.00 0.00 0.56 -0.54 0.00 0.00 0.00 174.94 174.96 3i9c s LYS 128 N -3.91 3.23 0.00 2.79 1.02 -1.26 -4.85 119.74 116.76 3i9c s LYS 128 Ca 0.39 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.87 3i9c s LYS 128 Cb 0.05 -3.95 0.00 0.00 -0.52 0.00 0.00 37.83 33.41 3i9c s LYS 128 CO 0.17 -0.93 0.00 0.25 -0.92 0.00 0.00 175.35 173.92 3i9c n THR 129 N 5.67 0.00 0.00 2.17 -2.24 -1.26 -2.92 114.28 115.70 3i9c n THR 129 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3i9c n THR 129 Cb 0.48 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 3i9c n THR 129 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i9c n LYS 130 N 0.00 0.00 -2.17 -0.78 4.81 -0.39 -4.70 118.16 114.94 3i9c n LYS 130 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 3i9c n LYS 130 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 3i9c n LYS 130 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3i9c s ILE 131 N 0.00 3.08 0.06 3.15 1.01 -1.26 -0.35 121.20 126.89 3i9c s ILE 131 Ca 0.00 0.89 0.04 0.00 0.00 0.00 0.00 60.65 61.58 3i9c s ILE 131 Cb 0.00 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3i9c s ILE 131 CO 0.00 0.13 -0.03 -0.69 0.00 0.00 0.00 174.94 174.35 3i9c s VAL 132 N 0.14 3.87 0.00 2.92 1.01 0.67 -4.91 120.40 124.10 3i9c s VAL 132 Ca 0.58 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3i9c s VAL 132 Cb -0.38 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3i9c s VAL 132 CO 0.39 0.22 0.27 0.54 0.00 0.00 0.00 175.10 176.52 3i9c n ARG 133 N 0.94 0.00 0.00 2.72 5.12 -1.26 -2.79 116.66 121.38 3i9c n ARG 133 Ca -0.13 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 3i9c n ARG 133 Cb 0.52 -0.82 0.00 0.00 -1.16 0.00 0.00 32.46 31.00 3i9c n ARG 133 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i9c n ARG 134 N -0.80 0.00 0.00 5.56 0.00 -1.26 -4.23 116.66 115.93 3i9c n ARG 134 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i9c n ARG 134 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i9c n ARG 134 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3i9c n ASP 135 N 0.00 0.00 0.00 6.15 5.68 -1.26 -4.79 116.55 122.33 3i9c n ASP 135 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3i9c n ASP 135 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3i9c n ASP 135 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i9c n ALA 136 N 0.00 0.00 -1.46 2.12 0.00 -1.26 -4.53 120.51 115.38 3i9c n ALA 136 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3i9c n ALA 136 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3i9c n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i9c n TYR 137 N 0.00 -0.10 -0.60 0.00 4.01 -1.26 -4.81 117.16 114.40 3i9c n TYR 137 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 3i9c n TYR 137 Cb 0.00 -3.04 -0.03 0.00 -0.31 0.00 0.00 39.34 35.96 3i9c n TYR 137 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3i9c n ASP 138 N -1.04 5.32 -4.84 7.72 3.85 -1.26 -4.63 116.55 121.67 3i9c n ASP 138 Ca -0.16 -2.42 -0.22 0.00 -0.71 0.00 0.00 54.79 51.27 3i9c n ASP 138 Cb 0.59 -1.18 -0.04 0.00 -1.35 0.00 0.00 41.12 39.13 3i9c n ASP 138 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3i9c s GLU 139 N 0.20 2.98 0.09 0.11 8.01 -1.26 -5.01 118.70 123.82 3i9c s GLU 139 Ca 0.13 -1.00 -0.20 0.00 0.01 0.00 0.00 54.97 53.91 3i9c s GLU 139 Cb 0.06 -2.61 -0.09 0.00 -4.31 0.00 0.00 34.13 27.19 3i9c s GLU 139 CO 0.00 0.41 1.59 0.00 0.01 0.00 0.00 175.26 177.27 3i9c h ALA 140 N 1.56 0.27 0.00 5.21 0.00 -2.05 -3.46 119.26 120.79 3i9c h ALA 140 Ca -0.49 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3i9c h ALA 140 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3i9c h ALA 140 CO 0.61 -0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.81