#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ici n PRO -2 N 0.00 1.58 0.08 1.61 -0.02 -1.26 -4.82 135.00 132.17 3ici n PRO -2 Ca 0.00 0.56 -0.05 0.00 -2.02 0.00 0.00 63.50 61.99 3ici n PRO -2 Cb 0.00 -2.08 0.12 0.00 -0.02 0.00 0.00 33.50 31.52 3ici n PRO -2 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ici h LEU -1 N 3.19 0.28 0.31 2.45 3.38 -2.05 -1.16 115.31 121.70 3ici h LEU -1 Ca -0.43 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 3ici h LEU -1 Cb 1.32 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3ici h LEU -1 CO 0.69 0.82 -0.20 1.23 0.09 0.00 0.00 178.44 181.06 3ici h GLY 0 N 1.47 -0.52 0.63 0.83 0.00 -2.00 0.18 103.07 103.67 3ici h GLY 0 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3ici h GLY 0 CO 0.09 -0.20 -0.29 0.23 0.00 0.00 0.00 176.54 176.37 3ici h SER 1 N -0.50 -0.80 -0.63 0.19 0.87 -1.92 -2.60 113.55 108.16 3ici h SER 1 Ca -0.03 0.08 0.12 0.00 -1.23 0.00 0.00 61.79 60.73 3ici h SER 1 Cb 0.42 0.28 -0.12 0.00 -0.44 0.00 0.00 62.40 62.54 3ici h SER 1 CO 0.02 -0.41 -0.21 0.44 -0.53 0.00 0.00 176.83 176.14 3ici h ASP 2 N -0.59 -0.77 -0.86 6.23 3.32 -1.13 -1.41 116.42 121.22 3ici h ASP 2 Ca -0.00 0.20 0.07 0.00 0.02 0.00 0.00 57.03 57.32 3ici h ASP 2 Cb 0.56 0.45 -0.06 0.00 0.22 0.00 0.00 39.33 40.51 3ici h ASP 2 CO -0.08 -0.25 0.56 -0.08 -1.72 0.00 0.00 179.24 177.67 3ici h GLU 3 N -0.05 0.90 -1.84 3.56 4.57 -0.80 -3.26 114.58 117.66 3ici h GLU 3 Ca 0.29 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3ici h GLU 3 Cb 0.50 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3ici h GLU 3 CO -0.67 0.60 0.00 1.63 -1.18 0.00 0.00 179.01 179.39 3ici n LYS 4 N -4.49 0.71 -0.06 1.92 5.02 -0.53 -4.99 118.16 115.73 3ici n LYS 4 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3ici n LYS 4 Cb 0.23 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3ici n LYS 4 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ici n LYS 6 N 1.41 0.00 0.00 1.97 4.81 -1.23 -4.98 118.16 120.14 3ici n LYS 6 Ca 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 3ici n LYS 6 Cb 0.35 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.40 3ici n LYS 6 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ici n GLY 7 N 2.46 2.88 3.77 3.14 0.00 0.17 -4.84 105.19 112.75 3ici n GLY 7 Ca 0.00 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 3ici n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ici s PRO 8 N 2.99 2.20 -0.10 1.61 0.04 -1.26 -4.32 135.00 136.16 3ici s PRO 8 Ca 0.00 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 61.98 3ici s PRO 8 Cb 0.00 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 3ici s PRO 8 CO 0.00 -1.68 0.56 0.15 0.04 0.00 0.00 177.00 176.07 3ici s LYS 9 N -4.91 4.37 -0.04 4.56 1.02 -1.26 -2.24 119.74 121.24 3ici s LYS 9 Ca 0.61 0.60 -0.30 0.00 0.02 0.00 0.00 55.97 56.91 3ici s LYS 9 Cb -0.17 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 3ici s LYS 9 CO 0.56 0.13 1.22 0.08 -0.92 0.00 0.00 175.35 176.42 3ici s VAL 10 N 0.68 4.18 -0.22 3.17 1.01 0.80 -4.28 120.40 125.74 3ici s VAL 10 Ca 0.30 1.52 0.05 0.00 0.00 0.00 0.00 61.98 63.85 3ici s VAL 10 Cb -0.16 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3ici s VAL 10 CO 0.13 0.01 0.20 0.35 0.00 0.00 0.00 175.10 175.78 3ici n THR 11 N 4.58 0.00 -3.53 3.92 -2.24 -0.39 -2.20 114.28 114.41 3ici n THR 11 Ca 0.11 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 3ici n THR 11 Cb 0.46 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 3ici n THR 11 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ici s VAL 12 N -1.46 0.00 0.17 2.28 0.11 -1.24 -4.35 120.40 115.90 3ici s VAL 12 Ca 0.02 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.16 3ici s VAL 12 Cb 0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 3ici s VAL 12 CO 0.19 0.00 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.22 3ici s LYS 13 N -2.45 1.34 -0.01 1.54 1.02 -0.50 -1.05 119.74 119.63 3ici s LYS 13 Ca 0.03 -1.42 0.04 0.00 0.02 0.00 0.00 55.97 54.64 3ici s LYS 13 Cb -0.01 -1.51 -0.01 0.00 -0.52 0.00 0.00 37.83 35.78 3ici s LYS 13 CO -0.05 0.32 -0.14 0.08 -0.92 0.00 0.00 175.35 174.64 3ici s VAL 14 N -1.81 1.08 0.00 3.17 1.01 -0.62 -0.49 120.40 122.75 3ici s VAL 14 Ca 0.16 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3ici s VAL 14 Cb -0.07 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 3ici s VAL 14 CO 0.07 0.27 -0.03 -0.72 0.00 0.00 0.00 175.10 174.70 3ici s TYR 15 N -0.38 2.99 -0.11 5.22 1.13 -0.26 -0.19 117.35 125.75 3ici s TYR 15 Ca 0.05 0.02 0.04 0.00 -1.41 0.00 0.00 57.07 55.77 3ici s TYR 15 Cb -0.06 -1.64 0.00 0.00 -1.10 0.00 0.00 41.96 39.17 3ici s TYR 15 CO -0.00 0.42 -0.24 -0.06 -2.51 0.00 0.00 175.55 173.16 3ici s PHE 16 N -1.05 2.58 -0.24 -3.49 0.08 0.01 -2.26 117.98 113.60 3ici s PHE 16 Ca 0.18 -1.09 -0.14 0.00 0.12 0.00 0.00 56.93 56.01 3ici s PHE 16 Cb -0.11 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 3ici s PHE 16 CO 0.09 -0.44 0.33 -0.51 -0.10 0.00 0.00 175.22 174.59 3ici s ASP 17 N 0.40 6.28 0.10 1.36 1.01 0.14 -0.87 116.67 125.09 3ici s ASP 17 Ca -0.17 0.32 0.05 0.00 0.71 0.00 0.00 52.55 53.46 3ici s ASP 17 Cb -0.18 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 3ici s ASP 17 CO 0.08 -0.09 -0.00 -0.76 0.21 0.00 0.00 175.17 174.60 3ici s LEU 18 N 1.59 3.43 -0.01 1.23 1.43 -0.32 0.14 118.68 126.17 3ici s LEU 18 Ca 0.15 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 3ici s LEU 18 Cb -0.15 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 3ici s LEU 18 CO 0.08 0.16 -0.12 -0.13 0.23 0.00 0.00 176.35 176.58 3ici s ARG 19 N -2.41 0.93 -0.22 1.70 0.52 -0.37 -1.57 118.95 117.53 3ici s ARG 19 Ca 0.26 -0.43 0.02 0.00 -0.52 0.00 0.00 55.73 55.06 3ici s ARG 19 Cb -0.11 -0.90 0.04 0.00 0.52 0.00 0.00 34.95 34.49 3ici s ARG 19 CO 0.18 0.25 -0.15 0.42 0.02 0.00 0.00 175.30 176.02 3ici s ILE 20 N -0.31 2.10 0.00 1.52 1.01 0.06 -1.13 121.20 124.45 3ici s ILE 20 Ca 0.04 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.41 3ici s ILE 20 Cb -0.05 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.37 3ici s ILE 20 CO -0.00 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.79 3ici n GLY 21 N 4.53 3.43 1.38 6.18 0.00 -0.53 -2.02 105.19 118.16 3ici n GLY 21 Ca -0.17 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.77 3ici n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ici n ASP 22 N 4.69 4.05 -4.50 1.61 8.00 -1.26 -4.90 116.55 124.23 3ici n ASP 22 Ca 0.00 -2.41 -0.35 0.00 0.71 0.00 0.00 54.79 52.74 3ici n ASP 22 Cb 0.00 -0.54 -0.12 0.00 -0.02 0.00 0.00 41.12 40.45 3ici n ASP 22 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ici s GLU 23 N -1.87 3.72 0.11 -1.24 2.12 -0.86 -5.08 118.70 115.61 3ici s GLU 23 Ca 0.42 -0.47 -0.31 0.00 0.36 0.00 0.00 54.97 54.97 3ici s GLU 23 Cb 0.27 -3.12 -0.08 0.00 0.26 0.00 0.00 34.13 31.47 3ici s GLU 23 CO 0.19 0.09 1.37 -0.51 -0.54 0.00 0.00 175.26 175.86 3ici s ASP 24 N 0.81 6.85 0.00 -1.70 1.01 -1.26 -0.76 116.67 121.62 3ici s ASP 24 Ca 0.01 2.29 0.07 0.00 0.71 0.00 0.00 52.55 55.64 3ici s ASP 24 Cb -0.14 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.15 3ici s ASP 24 CO 0.02 -0.64 0.39 1.33 0.21 0.00 0.00 175.17 176.48 3ici n VAL 25 N 3.96 0.00 0.00 -1.27 0.24 -0.61 -4.91 118.33 115.73 3ici n VAL 25 Ca 0.11 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 3ici n VAL 25 Cb 0.43 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 3ici n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ici n GLY 26 N 1.03 0.81 3.67 7.63 0.00 -1.24 -4.82 105.19 112.27 3ici n GLY 26 Ca 0.02 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 3ici n GLY 26 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ici s ARG 27 N -0.90 3.08 -0.06 1.61 3.52 -1.26 -1.18 118.95 123.76 3ici s ARG 27 Ca 0.00 -0.41 0.04 0.00 -0.13 0.00 0.00 55.73 55.23 3ici s ARG 27 Cb 0.00 -2.82 -0.02 0.00 -1.56 0.00 0.00 34.95 30.55 3ici s ARG 27 CO 0.00 0.65 -0.17 0.08 -0.81 0.00 0.00 175.30 175.05 3ici s VAL 28 N -0.74 2.81 -0.10 7.11 1.01 -0.05 -4.19 120.40 126.24 3ici s VAL 28 Ca 0.12 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3ici s VAL 28 Cb -0.12 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.18 3ici s VAL 28 CO 0.02 0.57 -0.18 -0.63 0.00 0.00 0.00 175.10 174.89 3ici s ILE 29 N -0.44 1.65 -0.02 2.22 1.01 -0.54 -0.81 121.20 124.28 3ici s ILE 29 Ca 0.05 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3ici s ILE 29 Cb -0.12 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 3ici s ILE 29 CO 0.02 0.47 -0.00 -0.36 0.00 0.00 0.00 174.94 175.06 3ici s PHE 30 N 0.76 3.07 -0.16 3.97 0.08 0.73 -0.08 117.98 126.35 3ici s PHE 30 Ca -0.11 0.09 -0.06 0.00 0.12 0.00 0.00 56.93 56.97 3ici s PHE 30 Cb -0.16 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 3ici s PHE 30 CO 0.02 0.45 0.03 0.20 -0.10 0.00 0.00 175.22 175.82 3ici s GLY 31 N -1.42 1.86 0.04 4.36 0.00 -0.14 -1.59 107.32 110.43 3ici s GLY 31 Ca 0.18 -0.76 0.06 0.00 0.00 0.00 0.00 44.72 44.20 3ici s GLY 31 CO 0.09 -0.04 -0.13 1.08 0.00 0.00 0.00 173.10 174.10 3ici s LEU 32 N 0.22 2.87 -1.11 0.66 2.01 -0.22 -1.16 118.68 121.96 3ici s LEU 32 Ca 0.02 -0.33 -0.07 0.00 0.01 0.00 0.00 54.13 53.77 3ici s LEU 32 Cb -0.13 -1.67 0.29 0.00 0.01 0.00 0.00 46.19 44.69 3ici s LEU 32 CO 0.01 0.25 1.37 0.49 1.01 0.00 0.00 176.35 179.48 3ici n PHE 33 N 1.40 3.54 0.72 0.29 3.72 -0.55 -1.26 117.46 125.32 3ici n PHE 33 Ca -0.15 -3.12 0.12 0.00 -0.05 0.00 0.00 57.45 54.24 3ici n PHE 33 Cb 0.52 -1.50 0.49 0.00 -0.94 0.00 0.00 39.48 38.05 3ici n PHE 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ici n GLY 34 N 2.00 -1.45 0.10 1.37 0.00 -1.26 -1.26 105.19 104.69 3ici n GLY 34 Ca 0.26 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3ici n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ici h LYS 35 N 0.00 0.00 0.07 1.61 1.79 -1.89 -3.23 116.57 114.92 3ici h LYS 35 Ca 0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 3ici h LYS 35 Cb 0.51 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 3ici h LYS 35 CO 0.00 0.00 -1.86 2.41 -1.08 0.00 0.00 179.45 178.92 3ici n THR 36 N -2.49 1.66 -3.26 -0.16 -1.04 -0.78 -4.63 114.28 103.58 3ici n THR 36 Ca 0.01 -0.43 -0.25 0.00 -2.04 0.00 0.00 64.05 61.34 3ici n THR 36 Cb 0.51 -1.81 -0.07 0.00 -1.82 0.00 0.00 70.33 67.14 3ici n THR 36 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3ici n VAL 37 N -3.81 0.45 -0.32 12.58 0.24 -0.39 -4.93 118.33 122.15 3ici n VAL 37 Ca -0.35 -4.49 0.01 0.00 -2.04 0.00 0.00 64.34 57.48 3ici n VAL 37 Cb 0.92 -1.90 0.19 0.00 -1.47 0.00 0.00 33.84 31.58 3ici n VAL 37 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3ici h PRO 38 N 3.98 1.12 -0.15 7.34 0.13 -1.75 -0.61 132.00 142.04 3ici h PRO 38 Ca 0.12 -0.07 -0.19 0.00 -0.87 0.00 0.00 66.00 64.99 3ici h PRO 38 Cb 0.80 -0.25 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 3ici h PRO 38 CO 0.60 0.74 -0.66 0.87 -0.23 0.00 0.00 178.00 179.31 3ici h LYS 39 N 1.15 0.60 -0.22 0.86 1.57 -1.94 0.47 116.57 119.05 3ici h LYS 39 Ca 0.37 -0.44 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 3ici h LYS 39 Cb 0.03 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3ici h LYS 39 CO -0.11 1.06 -0.41 1.15 -0.57 0.00 0.00 179.45 180.57 3ici h THR 40 N 0.43 1.32 -0.27 -0.16 2.02 -1.90 -2.37 112.91 111.99 3ici h THR 40 Ca -0.02 -1.62 -0.03 0.00 0.77 0.00 0.00 66.41 65.51 3ici h THR 40 Cb 1.24 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 3ici h THR 40 CO 0.13 0.51 0.05 0.58 0.37 0.00 0.00 175.52 177.15 3ici h VAL 41 N 0.37 1.23 -0.95 3.16 2.07 -1.05 -2.00 116.25 119.08 3ici h VAL 41 Ca 0.01 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 66.86 3ici h VAL 41 Cb 1.01 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 3ici h VAL 41 CO 0.09 0.25 0.59 0.44 0.02 0.00 0.00 177.57 178.96 3ici h ASP 42 N 0.25 0.89 0.38 0.57 3.32 -0.84 -0.65 116.42 120.34 3ici h ASP 42 Ca 0.08 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3ici h ASP 42 Cb 0.32 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3ici h ASP 42 CO 0.00 0.51 -0.18 -1.13 -1.72 0.00 0.00 179.24 176.73 3ici h ASN 43 N 0.99 -0.43 -0.49 6.45 -1.24 -1.33 -1.14 115.58 118.39 3ici h ASN 43 Ca 0.45 -0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.48 3ici h ASN 43 Cb 0.35 0.11 -0.05 0.00 0.73 0.00 0.00 38.32 39.46 3ici h ASN 43 CO -0.23 -0.25 0.23 0.15 -1.29 0.00 0.00 177.43 176.03 3ici h PHE 44 N -0.57 0.41 -0.52 0.67 3.57 -0.88 -1.54 116.94 118.08 3ici h PHE 44 Ca -0.05 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 3ici h PHE 44 Cb 0.43 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3ici h PHE 44 CO -0.03 0.19 0.04 0.28 -2.23 0.00 0.00 178.31 176.55 3ici h VAL 45 N 0.44 1.26 -0.83 1.41 2.07 -1.12 -0.44 116.25 119.04 3ici h VAL 45 Ca 0.22 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 3ici h VAL 45 Cb 0.16 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3ici h VAL 45 CO -0.18 0.36 0.39 0.00 0.02 0.00 0.00 177.57 178.17 3ici h ALA 46 N 0.96 1.07 -0.04 1.67 0.00 -0.97 -0.10 119.26 121.85 3ici h ALA 46 Ca 0.15 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3ici h ALA 46 Cb 0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ici h ALA 46 CO 0.02 0.64 -0.58 -0.07 0.00 0.00 0.00 179.25 179.27 3ici h LEU 47 N 1.18 0.15 -0.56 0.00 3.38 -0.95 -0.28 115.31 118.23 3ici h LEU 47 Ca 0.28 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 3ici h LEU 47 Cb 0.13 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3ici h LEU 47 CO -0.03 0.69 -0.16 0.00 0.09 0.00 0.00 178.44 179.03 3ici h ALA 48 N 1.31 0.75 0.00 1.53 0.00 -0.42 -0.40 119.26 122.04 3ici h ALA 48 Ca -0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 3ici h ALA 48 Cb 1.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3ici h ALA 48 CO 0.08 0.67 -0.44 1.79 0.00 0.00 0.00 179.25 181.35 3ici h THR 49 N 0.87 0.85 -0.03 0.00 1.35 -0.76 -3.17 112.91 112.03 3ici h THR 49 Ca 0.13 -1.91 -0.01 0.00 -0.55 0.00 0.00 66.41 64.06 3ici h THR 49 Cb 0.73 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 69.36 3ici h THR 49 CO 0.06 0.43 -0.01 0.61 -0.25 0.00 0.00 175.52 176.36 3ici n GLY 50 N 0.82 0.48 0.25 5.82 0.00 -0.14 -4.93 105.19 107.48 3ici n GLY 50 Ca 0.01 -0.43 0.17 0.00 0.00 0.00 0.00 46.02 45.78 3ici n GLY 50 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3ici h GLU 51 N 0.53 0.00 -0.09 1.61 4.11 -1.76 -0.83 114.58 118.15 3ici h GLU 51 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3ici h GLU 51 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3ici h GLU 51 CO 0.02 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.73 3ici n LYS 52 N -2.78 1.71 -0.38 1.06 4.76 -1.26 -4.92 118.16 116.35 3ici n LYS 52 Ca -0.01 -1.04 0.00 0.00 -2.87 0.00 0.00 58.31 54.39 3ici n LYS 52 Cb 0.15 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 3ici n LYS 52 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ici n GLY 53 N 1.16 0.74 3.43 0.72 0.00 -0.32 -5.04 105.19 105.88 3ici n GLY 53 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 3ici n GLY 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ici s PHE 54 N -2.46 -0.02 -5.00 1.61 -0.71 -1.25 -5.12 117.98 105.04 3ici s PHE 54 Ca 0.00 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 55.56 3ici s PHE 54 Cb 0.00 0.26 0.00 0.00 -1.21 0.00 0.00 43.02 42.07 3ici s PHE 54 CO 0.00 -0.82 0.00 0.41 -1.34 0.00 0.00 175.22 173.47 3ici n GLY 55 N -0.28 -0.39 0.17 1.99 0.00 -1.26 -4.34 105.19 101.07 3ici n GLY 55 Ca -0.11 -1.01 0.06 0.00 0.00 0.00 0.00 46.02 44.96 3ici n GLY 55 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ici h TYR 56 N 0.00 0.00 -2.62 1.61 0.05 -1.38 -3.45 116.97 111.19 3ici h TYR 56 Ca 0.00 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.19 3ici h TYR 56 Cb 0.00 0.00 0.09 0.00 1.01 0.00 0.00 36.73 37.83 3ici h TYR 56 CO 0.00 0.36 0.52 1.17 -1.05 0.00 0.00 178.16 179.16 3ici n LYS 57 N -3.27 1.87 -0.31 4.88 4.81 -1.26 -1.20 118.16 123.68 3ici n LYS 57 Ca 0.02 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 3ici n LYS 57 Cb 0.61 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.39 3ici n LYS 57 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ici n ASN 58 N 1.95 0.00 -4.84 3.14 3.02 0.11 -5.01 115.26 113.62 3ici n ASN 58 Ca 0.11 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.36 3ici n ASN 58 Cb 0.31 -0.77 0.07 0.00 -0.61 0.00 0.00 39.78 38.78 3ici n ASN 58 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ici s SER 59 N -2.96 4.84 0.24 6.41 1.04 -0.34 -4.67 113.70 118.26 3ici s SER 59 Ca 0.00 1.20 0.08 0.00 0.48 0.00 0.00 55.95 57.71 3ici s SER 59 Cb 0.00 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 3ici s SER 59 CO 0.00 -1.74 0.11 -0.54 0.98 0.00 0.00 173.24 172.05 3ici s LYS 60 N -5.26 2.67 -0.68 4.02 1.02 -1.26 -1.13 119.74 119.12 3ici s LYS 60 Ca 0.60 -1.16 -0.24 0.00 0.02 0.00 0.00 55.97 55.19 3ici s LYS 60 Cb -0.13 -2.42 0.06 0.00 -0.52 0.00 0.00 37.83 34.82 3ici s LYS 60 CO 0.53 0.40 1.04 -0.06 -0.92 0.00 0.00 175.35 176.34 3ici s PHE 61 N -2.13 2.59 -0.79 3.18 0.40 0.32 -3.93 117.98 117.63 3ici s PHE 61 Ca 0.32 -0.45 0.25 0.00 -0.60 0.00 0.00 56.93 56.45 3ici s PHE 61 Cb -0.08 -4.37 0.61 0.00 0.51 0.00 0.00 43.02 39.69 3ici s PHE 61 CO 0.23 -1.75 1.53 -2.39 0.70 0.00 0.00 175.22 173.53 3ici n HIS 62 N 8.09 0.44 -3.78 0.36 1.44 -0.84 -4.55 115.22 116.38 3ici n HIS 62 Ca -0.02 0.13 -0.14 0.00 -2.01 0.00 0.00 57.72 55.68 3ici n HIS 62 Cb 0.46 -0.61 -0.15 0.00 0.12 0.00 0.00 29.99 29.81 3ici n HIS 62 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 3ici s ARG 63 N -3.09 0.00 -0.09 -1.40 3.52 -1.18 -4.21 118.95 112.49 3ici s ARG 63 Ca 0.09 0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.90 3ici s ARG 63 Cb 0.15 -0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.37 3ici s ARG 63 CO 0.66 -0.14 -0.09 0.08 -0.81 0.00 0.00 175.30 175.00 3ici s VAL 64 N 0.92 1.03 -0.26 7.11 1.01 -0.37 -0.43 120.40 129.41 3ici s VAL 64 Ca -0.08 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3ici s VAL 64 Cb -0.11 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.34 3ici s VAL 64 CO -0.03 0.35 -0.03 -0.63 0.00 0.00 0.00 175.10 174.76 3ici s ILE 65 N 1.33 1.64 0.33 2.22 1.01 -0.23 -4.76 121.20 122.73 3ici s ILE 65 Ca -0.02 -1.44 -0.28 0.00 0.00 0.00 0.00 60.65 58.90 3ici s ILE 65 Cb -0.14 -1.96 -0.13 0.00 0.01 0.00 0.00 42.46 40.25 3ici s ILE 65 CO -0.04 -0.22 1.25 1.17 0.00 0.00 0.00 174.94 177.10 3ici n LYS 66 N 4.60 2.00 -1.56 2.79 4.81 -1.26 -1.46 118.16 128.08 3ici n LYS 66 Ca -0.09 0.70 -0.14 0.00 -0.87 0.00 0.00 58.31 57.91 3ici n LYS 66 Cb 0.43 -2.25 -0.05 0.00 0.02 0.00 0.00 35.03 33.18 3ici n LYS 66 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ici n ASP 67 N 0.89 -4.64 0.00 3.14 10.43 -1.26 -4.79 116.55 120.32 3ici n ASP 67 Ca 0.06 0.29 0.00 0.00 2.57 0.00 0.00 54.79 57.70 3ici n ASP 67 Cb 0.35 -3.46 0.00 0.00 1.84 0.00 0.00 41.12 39.85 3ici n ASP 67 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 3ici n PHE 68 N -2.84 0.00 -3.70 1.24 7.35 -0.54 -4.71 117.46 114.26 3ici n PHE 68 Ca -0.15 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.51 3ici n PHE 68 Cb 0.49 0.25 -0.01 0.00 0.35 0.00 0.00 39.48 40.56 3ici n PHE 68 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ici s MET 69 N -0.51 1.04 0.01 -4.13 0.23 -0.59 -1.08 119.30 114.27 3ici s MET 69 Ca 0.00 -0.55 0.07 0.00 -1.03 0.00 0.00 55.69 54.18 3ici s MET 69 Cb 0.00 0.37 -0.02 0.00 -1.53 0.00 0.00 34.83 33.65 3ici s MET 69 CO 0.00 -0.48 -0.23 0.96 -2.03 0.00 0.00 175.02 173.25 3ici s ILE 70 N -3.16 1.80 -0.00 3.16 -4.36 -0.67 -1.07 121.20 116.90 3ici s ILE 70 Ca 0.11 -1.08 0.04 0.00 -0.26 0.00 0.00 60.65 59.47 3ici s ILE 70 Cb -0.01 -1.52 -0.01 0.00 1.25 0.00 0.00 42.46 42.17 3ici s ILE 70 CO -0.00 0.41 -0.13 -1.58 0.24 0.00 0.00 174.94 173.88 3ici s GLN 71 N -0.78 1.01 0.00 0.37 0.74 0.42 -0.85 119.66 120.57 3ici s GLN 71 Ca 0.09 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 54.99 3ici s GLN 71 Cb -0.09 -0.98 0.00 0.00 1.10 0.00 0.00 33.01 33.04 3ici s GLN 71 CO 0.00 0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.42 3ici n GLY 72 N 2.61 3.45 1.61 2.59 0.00 -0.49 -1.99 105.19 112.97 3ici n GLY 72 Ca -0.15 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3ici n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ici n GLY 73 N 0.00 0.71 3.48 -0.02 0.00 -1.25 -1.86 105.19 106.24 3ici n GLY 73 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ici n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ici s ASP 74 N -2.30 6.74 0.00 1.61 -1.08 -1.26 -3.79 116.67 116.59 3ici s ASP 74 Ca 0.00 -2.22 0.25 0.00 -0.52 0.00 0.00 52.55 50.06 3ici s ASP 74 Cb 0.00 -2.44 1.00 0.00 -1.46 0.00 0.00 42.92 40.02 3ici s ASP 74 CO 0.00 -1.06 1.70 2.22 0.52 0.00 0.00 175.17 178.55 3ici n PHE 75 N 6.80 0.08 -0.07 -5.34 1.16 -1.26 -2.14 117.46 116.69 3ici n PHE 75 Ca 0.30 -0.04 -0.08 0.00 -1.87 0.00 0.00 57.45 55.76 3ici n PHE 75 Cb 0.48 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.25 3ici n PHE 75 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3ici n THR 76 N 0.10 0.93 0.00 1.97 -2.24 -1.26 -4.82 114.28 108.97 3ici n THR 76 Ca 0.18 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3ici n THR 76 Cb 0.31 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 3ici n THR 76 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ici n ARG 77 N -2.63 3.49 -2.54 -0.78 1.74 -1.26 -4.93 116.66 109.74 3ici n ARG 77 Ca -0.24 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.66 3ici n ARG 77 Cb 0.90 -0.42 -0.00 0.00 -1.02 0.00 0.00 32.46 31.92 3ici n ARG 77 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ici n GLY 78 N 0.78 -0.50 0.00 -0.13 0.00 -0.91 -4.82 105.19 99.62 3ici n GLY 78 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3ici n GLY 78 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ici n ASP 79 N -1.99 0.00 0.00 1.61 5.68 -1.26 -4.78 116.55 115.80 3ici n ASP 79 Ca -0.18 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 3ici n ASP 79 Cb 0.64 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 3ici n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ici n GLY 80 N 0.00 0.42 0.80 6.12 0.00 -1.26 -4.93 105.19 106.33 3ici n GLY 80 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3ici n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ici n THR 81 N -2.00 0.00 -2.55 2.61 -2.24 -1.26 -5.02 114.28 103.83 3ici n THR 81 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3ici n THR 81 Cb 0.00 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 3ici n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ici n GLY 82 N 1.31 6.23 0.00 3.38 0.00 -1.26 -5.00 105.19 109.85 3ici n GLY 82 Ca 0.12 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3ici n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ici n GLY 83 N 3.59 -1.36 3.41 -0.02 0.00 -1.26 -4.75 105.19 104.79 3ici n GLY 83 Ca 0.00 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 3ici n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ici s LYS 84 N -2.18 1.20 0.61 1.61 -2.85 -1.26 -4.76 119.74 112.10 3ici s LYS 84 Ca 0.00 -0.42 0.01 0.00 -1.00 0.00 0.00 55.97 54.56 3ici s LYS 84 Cb 0.00 0.55 0.07 0.00 -2.06 0.00 0.00 37.83 36.39 3ici s LYS 84 CO 0.00 -0.49 0.86 -1.54 0.10 0.00 0.00 175.35 174.27 3ici s SER 85 N -2.54 4.93 0.00 0.03 1.04 -0.52 -3.89 113.70 112.75 3ici s SER 85 Ca -0.00 -0.18 0.24 0.00 0.48 0.00 0.00 55.95 56.49 3ici s SER 85 Cb -0.00 -0.51 1.13 0.00 0.10 0.00 0.00 66.02 66.73 3ici s SER 85 CO -0.10 -1.42 1.78 2.30 0.98 0.00 0.00 173.24 176.78 3ici n ILE 86 N -2.52 0.30 0.86 -1.02 -5.35 -1.26 -3.12 119.36 107.25 3ici n ILE 86 Ca 0.11 0.08 0.10 0.00 -0.27 0.00 0.00 62.75 62.76 3ici n ILE 86 Cb 0.60 -0.68 0.02 0.00 -1.74 0.00 0.00 39.64 37.84 3ici n ILE 86 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3ici n TYR 87 N -1.37 0.00 0.00 4.28 4.01 -1.26 -5.08 117.16 117.74 3ici n TYR 87 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 3ici n TYR 87 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 3ici n TYR 87 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ici n GLY 88 N 1.25 0.93 0.23 2.72 0.00 -1.18 -4.91 105.19 104.24 3ici n GLY 88 Ca 0.09 -1.97 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 3ici n GLY 88 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ici h GLU 89 N 7.58 0.49 -4.37 1.61 4.39 -1.95 -1.37 114.58 120.95 3ici h GLU 89 Ca 0.00 -0.03 -0.21 0.00 0.34 0.00 0.00 59.36 59.46 3ici h GLU 89 Cb 0.00 -0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 28.41 3ici h GLU 89 CO 0.00 0.32 -0.48 1.03 -1.16 0.00 0.00 179.01 178.72 3ici s ARG 90 N -6.10 1.33 0.07 2.33 1.81 -1.26 -2.93 118.95 114.19 3ici s ARG 90 Ca -0.13 -1.56 -0.14 0.00 -1.72 0.00 0.00 55.73 52.18 3ici s ARG 90 Cb 0.16 0.32 0.02 0.00 -0.45 0.00 0.00 34.95 35.01 3ici s ARG 90 CO 0.75 -0.47 0.32 -0.59 -0.68 0.00 0.00 175.30 174.62 3ici s PHE 91 N -4.06 -0.10 0.87 -0.53 -0.71 0.16 -4.91 117.98 108.71 3ici s PHE 91 Ca 0.35 -0.11 -0.11 0.00 -1.04 0.00 0.00 56.93 56.01 3ici s PHE 91 Cb 0.05 0.11 0.11 0.00 -1.21 0.00 0.00 43.02 42.09 3ici s PHE 91 CO 0.12 -0.56 1.09 -2.14 -1.34 0.00 0.00 175.22 172.40 3ici s PRO 92 N -3.02 1.45 -0.06 1.99 0.02 -1.26 -2.05 135.00 132.08 3ici s PRO 92 Ca -0.02 0.85 -0.30 0.00 0.02 0.00 0.00 61.00 61.56 3ici s PRO 92 Cb 0.01 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.64 3ici s PRO 92 CO -0.06 -2.11 1.77 -0.51 -0.33 0.00 0.00 177.00 175.75 3ici s ASP 93 N -3.45 6.50 -0.01 2.53 1.01 -1.26 -4.82 116.67 117.16 3ici s ASP 93 Ca 0.63 2.26 -0.23 0.00 0.71 0.00 0.00 52.55 55.91 3ici s ASP 93 Cb -0.18 -2.53 -0.15 0.00 1.01 0.00 0.00 42.92 41.08 3ici s ASP 93 CO 0.57 -1.07 1.06 -0.08 0.21 0.00 0.00 175.17 175.86 3ici h GLU 94 N 10.32 -0.50 -2.46 8.23 4.81 -2.00 -3.49 114.58 129.49 3ici h GLU 94 Ca -0.42 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.01 3ici h GLU 94 Cb 1.20 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.62 3ici h GLU 94 CO 0.96 -0.19 0.46 0.54 -0.73 0.00 0.00 179.01 180.05 3ici s ASN 95 N -4.98 -0.15 -0.29 1.04 2.20 -1.26 -5.04 114.94 106.46 3ici s ASN 95 Ca -0.13 -0.50 0.07 0.00 -0.94 0.00 0.00 52.86 51.36 3ici s ASN 95 Cb 0.02 0.53 0.46 0.00 -2.00 0.00 0.00 41.25 40.26 3ici s ASN 95 CO 0.46 -1.00 1.19 0.49 -2.94 0.00 0.00 177.10 175.31 3ici n PHE 96 N -0.50 2.75 -0.31 1.54 3.72 -1.26 -4.71 117.46 118.68 3ici n PHE 96 Ca -0.06 -2.22 0.01 0.00 -0.05 0.00 0.00 57.45 55.13 3ici n PHE 96 Cb 0.60 -0.35 0.20 0.00 -0.94 0.00 0.00 39.48 39.00 3ici n PHE 96 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3ici h LYS 97 N 2.18 1.11 -6.12 -1.08 1.57 -1.94 -3.44 116.57 108.85 3ici h LYS 97 Ca 0.37 -0.07 -0.65 0.00 -1.87 0.00 0.00 60.65 58.44 3ici h LYS 97 Cb 1.54 -0.25 -0.10 0.00 0.08 0.00 0.00 32.23 33.50 3ici h LYS 97 CO 0.76 0.73 -0.60 -0.51 -0.57 0.00 0.00 179.45 179.27 3ici s LEU 98 N -10.01 3.81 0.43 2.94 1.43 -1.26 -5.11 118.68 110.91 3ici s LEU 98 Ca -0.12 0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.10 3ici s LEU 98 Cb 0.19 -2.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 3ici s LEU 98 CO 0.80 0.21 0.35 -0.54 0.23 0.00 0.00 176.35 177.40 3ici s LYS 99 N -2.10 2.44 -1.28 1.70 1.02 -1.26 -4.45 119.74 115.80 3ici s LYS 99 Ca 0.26 -1.65 -0.15 0.00 0.02 0.00 0.00 55.97 54.46 3ici s LYS 99 Cb -0.12 -2.27 0.12 0.00 -0.52 0.00 0.00 37.83 35.04 3ici s LYS 99 CO 0.18 -0.23 1.68 0.72 -0.92 0.00 0.00 175.35 176.79 3ici n HIS 100 N -1.51 4.48 0.27 3.18 8.25 -1.26 -4.83 115.22 123.79 3ici n HIS 100 Ca 0.02 -3.06 0.14 0.00 -0.26 0.00 0.00 57.72 54.57 3ici n HIS 100 Cb 0.63 -2.37 0.72 0.00 1.12 0.00 0.00 29.99 30.08 3ici n HIS 100 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3ici h TYR 101 N 7.02 0.00 0.00 4.41 0.05 -1.92 -3.22 116.97 123.31 3ici h TYR 101 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.18 3ici h TYR 101 Cb 0.82 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.56 3ici h TYR 101 CO 1.28 0.10 0.00 0.41 -1.05 0.00 0.00 178.16 178.90 3ici n GLY 102 N -0.36 -0.90 3.76 3.88 0.00 -1.26 -4.64 105.19 105.67 3ici n GLY 102 Ca -0.01 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 3ici n GLY 102 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ici s PRO 103 N -0.48 3.62 0.00 1.61 0.04 -1.24 -3.43 135.00 135.11 3ici s PRO 103 Ca 0.00 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.18 3ici s PRO 103 Cb 0.00 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3ici s PRO 103 CO 0.00 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.67 3ici n GLY 104 N 0.62 0.78 3.83 0.56 0.00 0.39 -4.92 105.19 106.46 3ici n GLY 104 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3ici n GLY 104 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ici s TRP 105 N -2.16 3.60 -0.15 1.61 0.52 -1.22 0.02 118.94 121.16 3ici s TRP 105 Ca 0.00 1.19 -0.01 0.00 0.02 0.00 0.00 56.10 57.31 3ici s TRP 105 Cb 0.00 -2.48 -0.01 0.00 -1.15 0.00 0.00 33.47 29.83 3ici s TRP 105 CO 0.00 0.36 -0.12 0.08 0.02 0.00 0.00 176.95 177.29 3ici s VAL 106 N -1.55 3.08 0.03 4.03 1.01 0.12 -0.63 120.40 126.49 3ici s VAL 106 Ca 0.42 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 3ici s VAL 106 Cb -0.15 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3ici s VAL 106 CO 0.20 0.51 0.12 -0.55 0.00 0.00 0.00 175.10 175.37 3ici s SER 107 N 0.58 0.12 0.05 3.32 0.15 -0.38 -1.31 113.70 116.23 3ici s SER 107 Ca -0.07 -0.42 -0.30 0.00 0.70 0.00 0.00 55.95 55.86 3ici s SER 107 Cb -0.15 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 3ici s SER 107 CO 0.03 -0.47 0.99 -0.04 1.20 0.00 0.00 173.24 174.94 3ici s MET 108 N -2.24 4.60 0.61 5.44 -1.94 -0.04 -0.39 119.30 125.34 3ici s MET 108 Ca -0.08 1.46 -0.15 0.00 -1.71 0.00 0.00 55.69 55.20 3ici s MET 108 Cb -0.03 -3.42 -0.03 0.00 2.01 0.00 0.00 34.83 33.36 3ici s MET 108 CO -0.03 0.04 1.07 0.00 -0.01 0.00 0.00 175.02 176.09 3ici s ALA 109 N 0.62 2.69 0.29 3.03 0.00 -0.52 -4.32 121.76 123.55 3ici s ALA 109 Ca 0.50 0.41 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 3ici s ALA 109 Cb -0.22 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.66 3ici s ALA 109 CO 0.29 -0.91 0.60 0.54 0.00 0.00 0.00 175.76 176.28 3ici s ASN 110 N -2.79 -0.03 -0.29 0.00 6.03 -1.26 -4.47 114.94 112.14 3ici s ASN 110 Ca 0.64 -0.92 0.08 0.00 -1.03 0.00 0.00 52.86 51.63 3ici s ASN 110 Cb -0.17 0.68 0.46 0.00 -3.03 0.00 0.00 41.25 39.19 3ici s ASN 110 CO 0.38 -1.30 1.19 0.00 -2.03 0.00 0.00 177.10 175.34 3ici n ALA 111 N -0.45 4.85 0.00 3.54 0.00 -1.26 -5.07 120.51 122.12 3ici n ALA 111 Ca -0.03 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.69 3ici n ALA 111 Cb 0.61 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3ici n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ici n GLY 112 N -0.71 0.32 3.71 0.00 0.00 -1.26 -4.97 105.19 102.28 3ici n GLY 112 Ca 0.41 -2.31 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 3ici n GLY 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ici n LYS 113 N -0.66 2.44 -3.44 1.61 4.81 -1.26 -3.24 118.16 118.42 3ici n LYS 113 Ca 0.00 0.87 -0.19 0.00 -0.87 0.00 0.00 58.31 58.12 3ici n LYS 113 Cb 0.00 -2.62 0.08 0.00 0.02 0.00 0.00 35.03 32.51 3ici n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ici n ASP 114 N 2.56 -3.97 -2.17 3.14 8.00 -1.26 -4.94 116.55 117.91 3ici n ASP 114 Ca 0.12 -0.55 -0.08 0.00 0.71 0.00 0.00 54.79 54.99 3ici n ASP 114 Cb 0.34 -4.83 0.05 0.00 -0.02 0.00 0.00 41.12 36.66 3ici n ASP 114 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3ici n THR 115 N -4.39 1.67 -2.56 -3.53 -1.04 -1.20 -4.45 114.28 98.79 3ici n THR 115 Ca -0.14 -3.20 -0.41 0.00 -2.04 0.00 0.00 64.05 58.25 3ici n THR 115 Cb 0.61 0.24 -0.04 0.00 -1.82 0.00 0.00 70.33 69.32 3ici n THR 115 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3ici s ASN 116 N -3.47 7.28 0.00 8.00 0.01 -0.87 -4.22 114.94 121.67 3ici s ASN 116 Ca 0.38 1.95 0.00 0.00 -0.71 0.00 0.00 52.86 54.48 3ici s ASN 116 Cb 0.37 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.44 3ici s ASN 116 CO -0.03 -0.26 0.00 0.61 -1.51 0.00 0.00 177.10 175.91 3ici n GLY 117 N 2.51 1.72 0.00 0.66 0.00 -1.26 -0.67 105.19 108.15 3ici n GLY 117 Ca 0.05 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.98 3ici n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ici n SER 118 N 0.00 2.71 -4.75 1.61 3.41 -1.25 -4.14 113.62 111.21 3ici n SER 118 Ca 0.00 -0.20 -0.41 0.00 -0.26 0.00 0.00 58.87 58.00 3ici n SER 118 Cb 0.00 1.14 -0.03 0.00 -0.26 0.00 0.00 64.21 65.06 3ici n SER 118 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ici s GLN 119 N -2.03 4.51 0.12 4.33 -0.21 -1.25 -4.60 119.66 120.53 3ici s GLN 119 Ca -0.01 1.92 -0.00 0.00 0.02 0.00 0.00 55.36 57.30 3ici s GLN 119 Cb 0.03 -3.19 -0.04 0.00 1.00 0.00 0.00 33.01 30.81 3ici s GLN 119 CO 0.19 -0.02 0.02 -0.59 -2.12 0.00 0.00 175.29 172.77 3ici s PHE 120 N -0.58 0.87 0.07 0.91 -0.12 -0.78 -1.44 117.98 116.92 3ici s PHE 120 Ca 0.50 -1.14 0.02 0.00 -0.05 0.00 0.00 56.93 56.25 3ici s PHE 120 Cb -0.34 -0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 41.51 3ici s PHE 120 CO 0.41 -0.41 -0.07 -0.59 -0.05 0.00 0.00 175.22 174.50 3ici s PHE 121 N -3.92 0.78 -0.22 3.49 -0.71 0.48 -1.40 117.98 116.47 3ici s PHE 121 Ca 0.20 -0.70 -0.01 0.00 -1.04 0.00 0.00 56.93 55.38 3ici s PHE 121 Cb 0.07 -0.46 0.02 0.00 -1.21 0.00 0.00 43.02 41.44 3ici s PHE 121 CO -0.00 -0.11 -0.10 0.42 -1.34 0.00 0.00 175.22 174.08 3ici s ILE 122 N -2.45 2.71 0.52 -4.49 1.01 -0.03 -1.25 121.20 117.22 3ici s ILE 122 Ca 0.01 -0.93 -0.20 0.00 0.00 0.00 0.00 60.65 59.52 3ici s ILE 122 Cb -0.03 -2.30 -0.06 0.00 0.01 0.00 0.00 42.46 40.08 3ici s ILE 122 CO -0.02 0.32 1.13 0.42 0.00 0.00 0.00 174.94 176.79 3ici s THR 123 N 1.33 3.22 -0.19 2.92 -4.23 0.19 -1.67 115.64 117.21 3ici s THR 123 Ca 0.02 0.79 0.02 0.00 -1.18 0.00 0.00 61.69 61.33 3ici s THR 123 Cb -0.15 -3.33 0.01 0.00 1.34 0.00 0.00 72.50 70.36 3ici s THR 123 CO -0.07 -0.14 0.54 0.35 -0.54 0.00 0.00 174.62 174.76 3ici n THR 124 N -1.11 0.00 -4.21 3.99 -2.24 -0.24 -0.46 114.28 110.01 3ici n THR 124 Ca 0.11 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 3ici n THR 124 Cb 0.51 1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 3ici n THR 124 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3ici s VAL 125 N -0.16 0.00 0.12 2.28 -7.23 -1.23 -4.62 120.40 109.56 3ici s VAL 125 Ca 0.02 -1.92 -0.31 0.00 -1.81 0.00 0.00 61.98 57.95 3ici s VAL 125 Cb 0.01 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 3ici s VAL 125 CO 0.02 0.00 1.50 -0.75 -0.31 0.00 0.00 175.10 175.56 3ici s LYS 126 N -3.75 4.26 -0.58 4.82 2.20 -1.26 -3.68 119.74 121.76 3ici s LYS 126 Ca 0.38 2.22 0.06 0.00 -0.36 0.00 0.00 55.97 58.28 3ici s LYS 126 Cb 0.04 -3.28 0.28 0.00 -1.51 0.00 0.00 37.83 33.36 3ici s LYS 126 CO 0.19 -0.56 0.77 0.25 -0.36 0.00 0.00 175.35 175.64 3ici n THR 127 N 4.12 2.01 0.33 3.43 -2.24 -1.22 -4.92 114.28 115.79 3ici n THR 127 Ca 0.13 -5.12 0.14 0.00 -2.27 0.00 0.00 64.05 56.93 3ici n THR 127 Cb 0.41 -1.79 0.60 0.00 -2.10 0.00 0.00 70.33 67.44 3ici n THR 127 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ici h ALA 128 N 3.78 1.00 0.00 6.98 0.00 -1.93 -2.21 119.26 126.87 3ici h ALA 128 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ici h ALA 128 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ici h ALA 128 CO 0.77 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 177.35 3ici n TRP 129 N -2.53 0.00 1.04 0.00 2.14 -1.26 -1.96 117.44 114.86 3ici n TRP 129 Ca 0.01 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.69 3ici n TRP 129 Cb 0.22 -0.48 0.04 0.00 -0.81 0.00 0.00 31.31 30.28 3ici n TRP 129 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3ici n LEU 130 N -1.48 1.63 -4.76 5.67 4.77 -0.83 -4.94 117.00 117.05 3ici n LEU 130 Ca 0.05 -0.61 -0.41 0.00 -0.03 0.00 0.00 56.01 55.01 3ici n LEU 130 Cb 0.20 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3ici n LEU 130 CO 0.16 0.32 1.20 -1.81 -1.33 0.00 0.00 177.39 175.93 3ici s ASP 131 N -2.60 6.36 0.00 -1.43 1.01 -0.83 -2.20 116.67 116.98 3ici s ASP 131 Ca 0.17 3.00 0.00 0.00 0.71 0.00 0.00 52.55 56.43 3ici s ASP 131 Cb 0.18 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.46 3ici s ASP 131 CO 0.63 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.72 3ici n GLY 132 N 1.41 1.43 0.00 0.21 0.00 -1.26 -4.78 105.19 102.20 3ici n GLY 132 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3ici n GLY 132 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ici n LYS 133 N -2.00 3.77 -5.25 1.61 4.01 -0.93 -4.99 118.16 114.37 3ici n LYS 133 Ca 0.00 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.49 3ici n LYS 133 Cb 0.00 -0.98 -0.16 0.00 -0.51 0.00 0.00 35.03 33.38 3ici n LYS 133 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3ici s HIS 134 N -1.95 2.43 -0.33 2.13 3.76 -1.01 -4.95 115.29 115.36 3ici s HIS 134 Ca 0.00 -0.63 -0.28 0.00 -0.15 0.00 0.00 55.06 54.00 3ici s HIS 134 Cb 0.00 -1.58 0.02 0.00 1.11 0.00 0.00 32.58 32.12 3ici s HIS 134 CO 0.00 -0.16 1.04 0.08 -0.85 0.00 0.00 174.74 174.85 3ici s VAL 135 N -0.29 4.53 -0.06 -0.90 1.01 -1.26 -4.84 120.40 118.59 3ici s VAL 135 Ca 0.00 1.60 -0.22 0.00 0.00 0.00 0.00 61.98 63.37 3ici s VAL 135 Cb -0.13 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 3ici s VAL 135 CO 0.02 -0.49 0.63 -0.69 0.00 0.00 0.00 175.10 174.57 3ici s VAL 136 N 3.61 5.03 0.00 2.92 1.01 -1.26 -0.86 120.40 130.85 3ici s VAL 136 Ca 0.44 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.72 3ici s VAL 136 Cb -0.12 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3ici s VAL 136 CO 0.16 0.31 0.07 2.22 0.00 0.00 0.00 175.10 177.86 3ici n PHE 137 N 3.46 0.00 -3.83 5.22 -1.74 -0.42 -4.65 117.46 115.50 3ici n PHE 137 Ca -0.04 0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.80 3ici n PHE 137 Cb 0.51 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.52 3ici n PHE 137 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3ici s GLY 138 N -0.01 0.05 -0.09 4.97 0.00 -1.14 -1.48 107.32 109.62 3ici s GLY 138 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 44.72 44.36 3ici s GLY 138 CO 0.00 0.89 0.23 1.25 0.00 0.00 0.00 173.10 175.46 3ici s LYS 139 N -2.67 0.25 0.08 2.90 2.20 -0.31 -0.71 119.74 121.48 3ici s LYS 139 Ca 0.17 0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.82 3ici s LYS 139 Cb -0.03 0.08 -0.09 0.00 -1.51 0.00 0.00 37.83 36.28 3ici s LYS 139 CO 0.06 -0.06 1.75 0.08 -0.36 0.00 0.00 175.35 176.82 3ici s VAL 140 N 0.35 2.90 -0.19 4.02 1.01 0.10 -0.97 120.40 127.62 3ici s VAL 140 Ca -0.02 0.30 0.18 0.00 0.00 0.00 0.00 61.98 62.43 3ici s VAL 140 Cb -0.03 -3.19 -0.25 0.00 0.00 0.00 0.00 36.38 32.91 3ici s VAL 140 CO -0.01 -0.01 0.07 0.18 0.00 0.00 0.00 175.10 175.33 3ici n LEU 141 N 5.95 0.00 -3.84 3.92 4.77 0.89 -4.90 117.00 123.79 3ici n LEU 141 Ca 0.17 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.04 3ici n LEU 141 Cb 0.40 0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 41.89 3ici n LEU 141 CO 0.64 0.49 -0.10 -1.61 -1.33 0.00 0.00 177.39 175.48 3ici s GLU 142 N -2.49 0.68 0.00 3.23 2.02 -1.09 -4.92 118.70 116.13 3ici s GLU 142 Ca -0.10 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3ici s GLU 142 Cb 0.06 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.57 3ici s GLU 142 CO 0.81 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.31 3ici n GLY 143 N 0.78 0.47 0.26 -1.39 0.00 -1.26 -1.46 105.19 102.58 3ici n GLY 143 Ca -0.19 -0.94 0.09 0.00 0.00 0.00 0.00 46.02 44.97 3ici n GLY 143 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3ici h MET 144 N 0.00 0.00 -0.02 1.61 4.05 -1.91 -0.03 114.93 118.63 3ici h MET 144 Ca 0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 3ici h MET 144 Cb 0.10 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 3ici h MET 144 CO 0.00 0.01 -0.27 1.05 0.23 0.00 0.00 176.91 177.93 3ici h GLU 145 N 0.00 0.04 -0.14 0.39 9.09 -1.95 -0.91 114.58 121.09 3ici h GLU 145 Ca -0.00 -0.01 -0.13 0.00 0.05 0.00 0.00 59.36 59.27 3ici h GLU 145 Cb 0.02 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 3ici h GLU 145 CO 0.00 0.31 -0.40 0.28 0.05 0.00 0.00 179.01 179.24 3ici h VAL 146 N 0.03 1.36 -0.91 -1.06 2.07 -1.34 -2.11 116.25 114.29 3ici h VAL 146 Ca 0.00 -1.69 0.16 0.00 0.82 0.00 0.00 66.70 66.00 3ici h VAL 146 Cb 0.50 2.05 -0.10 0.00 -1.52 0.00 0.00 31.29 32.22 3ici h VAL 146 CO 0.04 0.51 0.50 0.58 0.02 0.00 0.00 177.57 179.22 3ici h VAL 147 N 0.14 0.72 -0.03 2.57 2.07 -0.88 -1.86 116.25 118.99 3ici h VAL 147 Ca -0.01 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 3ici h VAL 147 Cb 1.02 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3ici h VAL 147 CO 0.09 0.12 -0.49 0.03 0.02 0.00 0.00 177.57 177.34 3ici h ARG 148 N 0.68 0.07 -0.49 1.57 2.47 -1.00 -0.45 114.38 117.24 3ici h ARG 148 Ca 0.51 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 59.11 3ici h ARG 148 Cb 0.74 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 3ici h ARG 148 CO -0.37 0.54 0.01 0.87 0.56 0.00 0.00 179.97 181.59 3ici h LYS 149 N 0.06 0.85 -0.20 0.04 1.57 -0.67 -2.27 116.57 115.95 3ici h LYS 149 Ca -0.00 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 3ici h LYS 149 Cb 0.88 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3ici h LYS 149 CO 0.07 0.89 -0.01 0.28 -0.57 0.00 0.00 179.45 180.10 3ici h VAL 150 N 0.71 1.26 -0.91 0.50 2.07 -1.08 -2.89 116.25 115.91 3ici h VAL 150 Ca 0.14 -0.92 0.21 0.00 0.82 0.00 0.00 66.70 66.95 3ici h VAL 150 Cb 0.49 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 3ici h VAL 150 CO 0.02 0.28 0.60 -0.08 0.02 0.00 0.00 177.57 178.41 3ici h GLU 151 N 0.11 0.39 -0.02 1.57 4.81 -0.96 -1.35 114.58 119.13 3ici h GLU 151 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3ici h GLU 151 Cb 0.42 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3ici h GLU 151 CO 0.01 0.26 -0.00 -1.13 -0.73 0.00 0.00 179.01 177.42 3ici n SER 152 N -4.51 2.17 -4.77 1.04 3.41 -0.86 -4.10 113.62 106.00 3ici n SER 152 Ca 0.20 -1.72 -0.40 0.00 -0.26 0.00 0.00 58.87 56.68 3ici n SER 152 Cb 0.71 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.65 3ici n SER 152 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3ici s THR 153 N -2.00 2.58 0.34 6.66 -1.32 -0.51 -4.94 115.64 116.45 3ici s THR 153 Ca 0.33 0.55 -0.29 0.00 -1.21 0.00 0.00 61.69 61.07 3ici s THR 153 Cb 0.21 -3.34 -0.11 0.00 -1.51 0.00 0.00 72.50 67.75 3ici s THR 153 CO 0.32 0.10 1.53 0.29 -2.21 0.00 0.00 174.62 174.66 3ici n LYS 154 N 0.36 2.68 -4.31 7.08 5.02 -1.26 -4.92 118.16 122.82 3ici n LYS 154 Ca 0.02 0.95 -0.17 0.00 -2.02 0.00 0.00 58.31 57.09 3ici n LYS 154 Cb 0.43 -2.70 -0.10 0.00 -0.02 0.00 0.00 35.03 32.64 3ici n LYS 154 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ici s THR 155 N -0.64 1.50 0.46 -0.18 -4.23 -1.26 -0.97 115.64 110.31 3ici s THR 155 Ca 0.58 -2.15 -0.07 0.00 -1.18 0.00 0.00 61.69 58.87 3ici s THR 155 Cb -0.49 -1.98 0.10 0.00 1.34 0.00 0.00 72.50 71.48 3ici s THR 155 CO 0.57 -0.64 0.62 -0.90 -0.54 0.00 0.00 174.62 173.73 3ici n ASP 156 N -0.31 0.12 0.15 3.99 5.68 -0.31 -4.86 116.55 121.00 3ici n ASP 156 Ca -0.09 -1.27 0.12 0.00 -0.50 0.00 0.00 54.79 53.06 3ici n ASP 156 Cb 0.61 -0.47 0.53 0.00 -1.14 0.00 0.00 41.12 40.65 3ici n ASP 156 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3ici h SER 157 N -0.77 0.00 -0.49 -1.12 4.64 -2.02 -0.88 113.55 112.90 3ici h SER 157 Ca -0.20 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.01 3ici h SER 157 Cb 0.57 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.59 3ici h SER 157 CO 0.15 0.00 0.10 0.54 -0.87 0.00 0.00 176.83 176.74 3ici n ARG 158 N -2.31 3.26 -1.84 4.77 3.00 -1.26 -4.95 116.66 117.33 3ici n ARG 158 Ca 0.01 -3.03 -0.18 0.00 -0.01 0.00 0.00 57.85 54.64 3ici n ARG 158 Cb 0.20 -2.03 -0.05 0.00 0.00 0.00 0.00 32.46 30.58 3ici n ARG 158 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3ici n ASP 159 N -0.36 -5.20 -4.66 0.55 8.00 -0.34 -4.96 116.55 109.59 3ici n ASP 159 Ca 0.32 0.27 -0.39 0.00 0.71 0.00 0.00 54.79 55.69 3ici n ASP 159 Cb 1.14 -4.27 -0.07 0.00 -0.02 0.00 0.00 41.12 37.90 3ici n ASP 159 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ici s LYS 160 N -4.05 4.19 0.25 -1.24 2.20 -1.26 -1.23 119.74 118.59 3ici s LYS 160 Ca 0.00 0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 55.73 3ici s LYS 160 Cb 0.00 -3.56 -0.14 0.00 -1.51 0.00 0.00 37.83 32.61 3ici s LYS 160 CO 0.00 -0.16 1.19 -2.30 -0.36 0.00 0.00 175.35 173.72 3ici n PRO 161 N 4.81 1.55 0.13 4.03 -0.02 -1.26 -1.16 135.00 143.08 3ici n PRO 161 Ca -0.05 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3ici n PRO 161 Cb 0.50 -2.05 0.12 0.00 -0.02 0.00 0.00 33.50 32.05 3ici n PRO 161 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ici h LEU 162 N 3.02 0.00 -9.13 2.45 3.38 -1.39 -3.41 115.31 110.24 3ici h LEU 162 Ca -0.43 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.89 3ici h LEU 162 Cb 1.32 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.90 3ici h LEU 162 CO 0.67 0.62 -0.61 -0.54 0.09 0.00 0.00 178.44 178.67 3ici s LYS 163 N -3.27 3.45 0.23 1.13 1.02 -1.26 -5.08 119.74 115.95 3ici s LYS 163 Ca 0.01 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 3ici s LYS 163 Cb 0.11 -2.95 -0.10 0.00 -0.52 0.00 0.00 37.83 34.36 3ici s LYS 163 CO 0.75 0.47 1.49 -0.51 -0.92 0.00 0.00 175.35 176.63 3ici s ASP 164 N -0.22 6.61 -0.31 2.83 1.01 -1.26 -4.59 116.67 120.73 3ici s ASP 164 Ca 0.06 2.68 -0.06 0.00 0.71 0.00 0.00 52.55 55.94 3ici s ASP 164 Cb -0.12 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.22 3ici s ASP 164 CO 0.02 -0.76 0.07 -0.69 0.21 0.00 0.00 175.17 174.02 3ici s VAL 165 N 0.32 3.65 0.02 -1.27 1.01 -1.26 -1.45 120.40 121.43 3ici s VAL 165 Ca 0.63 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.65 3ici s VAL 165 Cb -0.43 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 3ici s VAL 165 CO 0.40 -0.07 -0.22 -0.63 0.00 0.00 0.00 175.10 174.59 3ici s ILE 166 N 1.40 2.48 -0.72 2.22 -1.09 -0.28 -0.52 121.20 124.69 3ici s ILE 166 Ca -0.01 -1.19 -0.26 0.00 -2.23 0.00 0.00 60.65 56.97 3ici s ILE 166 Cb -0.19 -1.98 0.04 0.00 -1.58 0.00 0.00 42.46 38.75 3ici s ILE 166 CO 0.02 0.42 1.20 -0.63 -1.23 0.00 0.00 174.94 174.71 3ici s ILE 167 N -0.81 3.88 0.22 2.92 1.01 -0.28 -1.24 121.20 126.90 3ici s ILE 167 Ca 0.12 0.21 0.07 0.00 0.00 0.00 0.00 60.65 61.06 3ici s ILE 167 Cb -0.10 -4.86 -0.08 0.00 0.01 0.00 0.00 42.46 37.43 3ici s ILE 167 CO 0.03 -1.75 1.51 0.00 0.00 0.00 0.00 174.94 174.72 3ici h ALA 168 N 9.90 0.77 -2.66 9.38 0.00 -0.63 0.31 119.26 136.33 3ici h ALA 168 Ca -0.28 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 53.93 3ici h ALA 168 Cb 1.06 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 3ici h ALA 168 CO 1.25 0.87 0.02 0.34 0.00 0.00 0.00 179.25 181.73 3ici s ASP 169 N -6.85 -0.39 0.09 0.00 2.15 -1.15 -4.65 116.67 105.88 3ici s ASP 169 Ca -0.02 -0.01 -0.26 0.00 0.43 0.00 0.00 52.55 52.69 3ici s ASP 169 Cb 0.12 0.50 0.08 0.00 -0.30 0.00 0.00 42.92 43.31 3ici s ASP 169 CO 0.79 -0.80 0.81 0.00 -0.17 0.00 0.00 175.17 175.80 3ici n GLY 171 N -0.34 -1.74 3.72 0.00 0.00 -0.96 -4.66 105.19 101.21 3ici n GLY 171 Ca -0.10 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 3ici n GLY 171 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ici s LYS 172 N -1.91 2.58 -0.09 1.61 -2.85 -1.26 -1.11 119.74 116.72 3ici s LYS 172 Ca 0.00 -1.12 -0.01 0.00 -1.00 0.00 0.00 55.97 53.84 3ici s LYS 172 Cb 0.00 -2.41 0.03 0.00 -2.06 0.00 0.00 37.83 33.38 3ici s LYS 172 CO 0.00 0.43 -0.04 0.42 0.10 0.00 0.00 175.35 176.26 3ici s ILE 173 N -1.95 0.72 0.56 3.79 1.01 0.36 -4.91 121.20 120.78 3ici s ILE 173 Ca 0.30 -0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 3ici s ILE 173 Cb -0.08 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 3ici s ILE 173 CO 0.21 0.31 1.16 -1.61 0.00 0.00 0.00 174.94 175.01 3ici s GLU 174 N 1.70 3.22 -0.23 2.79 0.41 -1.26 -1.42 118.70 123.91 3ici s GLU 174 Ca 0.03 1.68 0.02 0.00 -0.41 0.00 0.00 54.97 56.28 3ici s GLU 174 Cb -0.13 -1.98 0.05 0.00 -1.78 0.00 0.00 34.13 30.30 3ici s GLU 174 CO -0.06 -0.97 -0.10 0.08 -0.49 0.00 0.00 175.26 173.72 3ici s VAL 175 N -1.72 1.82 0.16 2.63 1.01 -1.26 -4.83 120.40 118.21 3ici s VAL 175 Ca 0.74 -1.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 3ici s VAL 175 Cb -0.26 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 3ici s VAL 175 CO 0.29 0.04 1.53 -0.33 0.00 0.00 0.00 175.10 176.63 3ici h GLU 176 N 7.89 0.95 -3.65 2.72 4.39 -1.96 -3.39 114.58 121.54 3ici h GLU 176 Ca -0.23 -0.45 -0.61 0.00 0.34 0.00 0.00 59.36 58.41 3ici h GLU 176 Cb 1.07 -0.01 -0.40 0.00 -0.10 0.00 0.00 28.75 29.31 3ici h GLU 176 CO 0.46 1.11 -0.73 0.15 -1.16 0.00 0.00 179.01 178.84 3ici s LYS 177 N -4.54 1.16 0.27 2.33 -0.14 -1.26 -5.12 119.74 112.44 3ici s LYS 177 Ca -0.11 -1.65 -0.28 0.00 -1.36 0.00 0.00 55.97 52.57 3ici s LYS 177 Cb 0.12 -2.48 -0.15 0.00 -1.68 0.00 0.00 37.83 33.64 3ici s LYS 177 CO 0.87 -1.03 0.93 -2.30 -0.76 0.00 0.00 175.35 173.06 3ici n PRO 178 N 4.20 1.11 -4.05 -1.68 -0.02 -1.26 -5.00 135.00 128.30 3ici n PRO 178 Ca 0.03 0.39 -0.14 0.00 -2.02 0.00 0.00 63.50 61.76 3ici n PRO 178 Cb 0.39 -1.70 -0.14 0.00 -0.02 0.00 0.00 33.50 32.04 3ici n PRO 178 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3ici s PHE 179 N -1.02 0.36 0.27 6.00 -0.12 -0.94 -4.90 117.98 117.64 3ici s PHE 179 Ca 0.60 -0.17 -0.28 0.00 -0.05 0.00 0.00 56.93 57.03 3ici s PHE 179 Cb -0.75 -0.23 -0.09 0.00 -0.63 0.00 0.00 43.02 41.32 3ici s PHE 179 CO 0.59 -0.03 0.94 0.00 -0.05 0.00 0.00 175.22 176.67 3ici s ALA 180 N -0.40 3.29 0.46 1.99 0.00 -1.26 -0.14 121.76 125.70 3ici s ALA 180 Ca -0.02 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.57 3ici s ALA 180 Cb -0.03 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 3ici s ALA 180 CO -0.00 0.20 0.17 0.96 0.00 0.00 0.00 175.76 177.09 3ici s ILE 181 N -1.36 1.88 0.38 0.00 -4.36 -0.95 -4.92 121.20 111.87 3ici s ILE 181 Ca 0.45 -1.75 -0.18 0.00 -0.26 0.00 0.00 60.65 58.91 3ici s ILE 181 Cb -0.23 -2.63 -0.10 0.00 1.25 0.00 0.00 42.46 40.76 3ici s ILE 181 CO 0.28 0.00 0.85 0.00 0.24 0.00 0.00 174.94 176.32 3ici s ALA 182 N -2.71 3.17 -1.28 2.27 0.00 -1.26 0.41 121.76 122.37 3ici s ALA 182 Ca 0.31 0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.39 3ici s ALA 182 Cb 0.03 -2.97 0.17 0.00 0.00 0.00 0.00 23.12 20.35 3ici s ALA 182 CO 0.17 0.21 1.85 1.63 0.00 0.00 0.00 175.76 179.62 3ici n LYS 183 N -0.56 3.61 0.00 0.00 5.02 -1.26 -4.74 118.16 120.23 3ici n LYS 183 Ca 0.05 -3.55 0.00 0.00 -2.02 0.00 0.00 58.31 52.80 3ici n LYS 183 Cb 0.54 -2.93 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 3ici n LYS 183 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03