#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hpw h GLU 6 N 0.00 0.05 -0.91 1.09 4.39 -1.93 -2.83 114.58 114.44 2hpw h GLU 6 Ca 0.00 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 2hpw h GLU 6 Cb 0.00 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.58 2hpw h GLU 6 CO 0.00 0.03 0.58 0.78 -1.16 0.00 0.00 179.01 179.24 2hpw h GLY 7 N 0.05 1.37 2.00 -3.84 0.00 -1.74 -2.40 103.07 98.52 2hpw h GLY 7 Ca 0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2hpw h GLY 7 CO -0.09 0.30 -0.19 0.00 0.00 0.00 0.00 176.54 176.56 2hpw h ALA 8 N 1.42 1.60 -0.01 3.60 0.00 -1.60 -1.96 119.26 122.30 2hpw h ALA 8 Ca 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2hpw h ALA 8 Cb 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2hpw h ALA 8 CO -0.17 0.24 0.01 0.87 0.00 0.00 0.00 179.25 180.20 2hpw h LYS 9 N 0.00 0.00 0.00 0.00 1.57 -1.32 -1.23 116.57 115.59 2hpw h LYS 9 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hpw h LYS 9 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2hpw h LYS 9 CO 0.03 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.84 2hpw h LEU 10 N 0.00 0.00 -2.60 2.94 3.38 -1.46 -2.98 115.31 114.59 2hpw h LEU 10 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hpw h LEU 10 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2hpw h LEU 10 CO -0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 2hpw n PHE 11 N -2.45 0.38 0.36 1.13 3.72 -0.47 -4.61 117.46 115.53 2hpw n PHE 11 Ca 0.01 -0.40 0.11 0.00 -0.05 0.00 0.00 57.45 57.12 2hpw n PHE 11 Cb 0.23 -0.02 0.47 0.00 -0.94 0.00 0.00 39.48 39.22 2hpw n PHE 11 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2hpw n GLU 12 N 0.56 0.16 -4.45 -1.08 1.02 -1.13 -4.08 120.64 111.64 2hpw n GLU 12 Ca 0.11 0.44 -0.21 0.00 -0.02 0.00 0.00 57.16 57.47 2hpw n GLU 12 Cb 0.40 -1.83 -0.11 0.00 -0.02 0.00 0.00 31.44 29.88 2hpw n GLU 12 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2hpw s LYS 13 N -3.31 1.63 0.25 3.49 1.02 -1.26 -4.80 119.74 116.76 2hpw s LYS 13 Ca 0.03 -1.89 -0.30 0.00 0.02 0.00 0.00 55.97 53.83 2hpw s LYS 13 Cb 0.09 -0.92 -0.10 0.00 -0.52 0.00 0.00 37.83 36.37 2hpw s LYS 13 CO 0.33 -0.14 1.48 -2.00 -0.92 0.00 0.00 175.35 174.10 2hpw s GLU 14 N -3.86 4.23 0.12 1.68 2.12 -1.26 -4.62 118.70 117.11 2hpw s GLU 14 Ca 0.35 2.36 0.04 0.00 0.36 0.00 0.00 54.97 58.08 2hpw s GLU 14 Cb 0.08 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 2hpw s GLU 14 CO 0.15 -0.48 -0.09 0.96 -0.54 0.00 0.00 175.26 175.25 2hpw s ILE 15 N 0.13 0.97 0.65 -3.70 -4.36 -0.64 -4.97 121.20 109.28 2hpw s ILE 15 Ca 0.61 -1.88 -0.17 0.00 -0.26 0.00 0.00 60.65 58.96 2hpw s ILE 15 Cb -0.43 -1.63 -0.00 0.00 1.25 0.00 0.00 42.46 41.64 2hpw s ILE 15 CO 0.43 -0.71 1.19 -2.84 0.24 0.00 0.00 174.94 173.25 2hpw s PRO 16 N -3.42 2.66 -0.11 0.37 0.02 -1.26 -0.95 135.00 132.31 2hpw s PRO 16 Ca 0.11 1.74 -0.03 0.00 0.02 0.00 0.00 61.00 62.85 2hpw s PRO 16 Cb 0.01 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.68 2hpw s PRO 16 CO -0.01 -1.43 0.05 -0.47 -0.33 0.00 0.00 177.00 174.81 2hpw s TYR 17 N -1.83 0.43 -0.06 6.54 5.04 -0.28 -1.01 117.35 126.18 2hpw s TYR 17 Ca 0.75 -0.22 0.05 0.00 -2.44 0.00 0.00 57.07 55.21 2hpw s TYR 17 Cb -0.29 -0.72 -0.01 0.00 0.35 0.00 0.00 41.96 41.29 2hpw s TYR 17 CO 0.38 -0.40 -0.22 0.42 -1.34 0.00 0.00 175.55 174.39 2hpw s ILE 18 N 2.05 2.29 -0.04 3.14 1.01 0.16 -0.61 121.20 129.22 2hpw s ILE 18 Ca 0.03 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.76 2hpw s ILE 18 Cb -0.14 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 2hpw s ILE 18 CO -0.06 0.57 -0.23 -0.89 0.00 0.00 0.00 174.94 174.33 2hpw s THR 19 N -0.24 1.84 -0.12 2.92 2.01 -0.69 -1.39 115.64 119.97 2hpw s THR 19 Ca -0.01 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.01 2hpw s THR 19 Cb -0.13 -1.55 0.03 0.00 0.01 0.00 0.00 72.50 70.86 2hpw s THR 19 CO 0.03 0.52 -0.04 -1.61 -0.69 0.00 0.00 174.62 172.83 2hpw s GLU 20 N -0.31 1.18 -0.09 4.92 2.02 -0.20 -0.31 118.70 125.91 2hpw s GLU 20 Ca 0.02 -0.22 0.03 0.00 0.02 0.00 0.00 54.97 54.82 2hpw s GLU 20 Cb -0.11 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.57 2hpw s GLU 20 CO 0.01 -0.34 -0.20 -1.17 0.02 0.00 0.00 175.26 173.58 2hpw s LEU 21 N 1.78 1.94 -0.24 1.80 0.20 -0.01 -0.85 118.68 123.30 2hpw s LEU 21 Ca 0.04 -0.47 -0.04 0.00 0.69 0.00 0.00 54.13 54.34 2hpw s LEU 21 Cb -0.13 -1.21 -0.00 0.00 -0.43 0.00 0.00 46.19 44.41 2hpw s LEU 21 CO -0.07 0.12 -0.01 -1.61 -0.29 0.00 0.00 176.35 174.48 2hpw s GLU 22 N 0.43 3.25 0.16 1.98 8.01 -0.18 -0.88 118.70 131.48 2hpw s GLU 22 Ca -0.17 -0.72 0.11 0.00 0.01 0.00 0.00 54.97 54.20 2hpw s GLU 22 Cb -0.17 -3.10 -0.04 0.00 -4.31 0.00 0.00 34.13 26.51 2hpw s GLU 22 CO 0.07 -0.28 -0.24 0.20 0.01 0.00 0.00 175.26 175.03 2hpw s GLY 23 N 1.47 1.59 -0.26 -1.39 0.00 0.39 -1.05 107.32 108.07 2hpw s GLY 23 Ca 0.04 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.21 2hpw s GLY 23 CO -0.02 -1.55 0.31 -0.35 0.00 0.00 0.00 173.10 171.48 2hpw s ASP 24 N -2.43 1.15 -0.25 1.64 -1.08 -0.15 -1.02 116.67 114.53 2hpw s ASP 24 Ca 0.17 -0.36 -0.01 0.00 -0.52 0.00 0.00 52.55 51.83 2hpw s ASP 24 Cb -0.08 0.67 0.03 0.00 -1.46 0.00 0.00 42.92 42.08 2hpw s ASP 24 CO 0.08 -0.35 -0.07 -0.69 0.52 0.00 0.00 175.17 174.66 2hpw s VAL 25 N 2.41 2.75 -1.38 1.11 1.01 -0.31 -0.19 120.40 125.80 2hpw s VAL 25 Ca 0.10 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 2hpw s VAL 25 Cb -0.15 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.85 2hpw s VAL 25 CO -0.24 0.14 0.58 -0.62 0.00 0.00 0.00 175.10 174.97 2hpw n GLU 26 N 4.63 -4.00 -0.07 2.72 -0.58 -0.57 -0.75 120.64 122.02 2hpw n GLU 26 Ca -0.16 0.59 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 2hpw n GLU 26 Cb 0.46 -5.36 0.00 0.00 -0.57 0.00 0.00 31.44 25.97 2hpw n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hpw n GLY 27 N -1.32 1.48 3.58 0.62 0.00 -1.26 -5.01 105.19 103.29 2hpw n GLY 27 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2hpw n GLY 27 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hpw s MET 28 N -0.47 3.71 -0.01 1.61 -1.94 0.07 -5.01 119.30 117.25 2hpw s MET 28 Ca 0.00 0.34 -0.13 0.00 -1.71 0.00 0.00 55.69 54.19 2hpw s MET 28 Cb 0.00 -3.84 -0.05 0.00 2.01 0.00 0.00 34.83 32.94 2hpw s MET 28 CO 0.00 -0.99 0.37 0.15 -0.01 0.00 0.00 175.02 174.53 2hpw s LYS 29 N 3.41 3.83 0.05 2.03 1.02 -1.26 -1.16 119.74 127.65 2hpw s LYS 29 Ca 0.35 0.31 -0.13 0.00 0.02 0.00 0.00 55.97 56.52 2hpw s LYS 29 Cb -0.12 -3.20 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 2hpw s LYS 29 CO 0.20 0.69 0.30 -0.59 -0.92 0.00 0.00 175.35 175.04 2hpw s PHE 30 N -1.10 -0.09 -0.04 3.18 -0.12 -0.19 -4.98 117.98 114.63 2hpw s PHE 30 Ca 0.23 -0.06 0.05 0.00 -0.05 0.00 0.00 56.93 57.10 2hpw s PHE 30 Cb -0.16 0.09 -0.00 0.00 -0.63 0.00 0.00 43.02 42.32 2hpw s PHE 30 CO 0.12 -0.51 -0.18 0.42 -0.05 0.00 0.00 175.22 175.02 2hpw s ILE 31 N -2.65 1.51 -0.09 -4.49 1.01 -1.26 -0.46 121.20 114.77 2hpw s ILE 31 Ca -0.04 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 59.89 2hpw s ILE 31 Cb -0.01 -1.29 -0.00 0.00 0.01 0.00 0.00 42.46 41.17 2hpw s ILE 31 CO -0.04 0.43 -0.23 -0.63 0.00 0.00 0.00 174.94 174.47 2hpw s ILE 32 N -0.00 1.99 -0.14 2.92 1.01 -0.06 -0.96 121.20 125.95 2hpw s ILE 32 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.63 2hpw s ILE 32 Cb -0.12 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 2hpw s ILE 32 CO 0.02 0.55 -0.15 -0.54 0.00 0.00 0.00 174.94 174.82 2hpw s LYS 33 N 0.27 3.25 0.01 2.79 -0.14 -0.04 -0.83 119.74 125.06 2hpw s LYS 33 Ca -0.16 -0.74 0.05 0.00 -1.36 0.00 0.00 55.97 53.76 2hpw s LYS 33 Cb -0.17 -2.60 -0.03 0.00 -1.68 0.00 0.00 37.83 33.34 2hpw s LYS 33 CO 0.08 0.09 -0.14 0.20 -0.76 0.00 0.00 175.35 174.82 2hpw s GLY 34 N 0.64 1.62 -0.04 -3.33 0.00 0.57 -0.66 107.32 106.13 2hpw s GLY 34 Ca -0.08 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.55 2hpw s GLY 34 CO 0.02 -0.96 -0.04 1.85 0.00 0.00 0.00 173.10 173.97 2hpw s GLU 35 N -1.30 0.75 0.00 2.90 2.12 -0.27 -1.70 118.70 121.20 2hpw s GLU 35 Ca 0.15 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.40 2hpw s GLU 35 Cb -0.11 -0.78 0.00 0.00 0.26 0.00 0.00 34.13 33.50 2hpw s GLU 35 CO 0.05 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 2hpw n GLY 36 N 4.05 1.74 3.07 -1.50 0.00 0.22 -1.41 105.19 111.36 2hpw n GLY 36 Ca -0.25 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 2hpw n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hpw s THR 37 N -1.50 0.30 -0.03 2.61 -4.23 0.37 -1.12 115.64 112.04 2hpw s THR 37 Ca 0.00 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 2hpw s THR 37 Cb 0.00 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.76 2hpw s THR 37 CO 0.00 -0.77 -0.09 -0.83 -0.54 0.00 0.00 174.62 172.39 2hpw s GLY 38 N -2.37 0.55 -0.51 3.99 0.00 -0.12 -1.56 107.32 107.29 2hpw s GLY 38 Ca -0.01 -0.33 0.03 0.00 0.00 0.00 0.00 44.72 44.42 2hpw s GLY 38 CO -0.05 -0.05 0.29 -0.35 0.00 0.00 0.00 173.10 172.93 2hpw s ASP 39 N 0.26 4.04 0.63 1.64 2.15 0.52 -1.62 116.67 124.28 2hpw s ASP 39 Ca -0.04 -2.99 0.39 0.00 0.43 0.00 0.00 52.55 50.33 2hpw s ASP 39 Cb -0.09 -1.37 2.11 0.00 -0.30 0.00 0.00 42.92 43.26 2hpw s ASP 39 CO 0.01 -0.22 2.28 0.00 -0.17 0.00 0.00 175.17 177.07 2hpw h ALA 40 N 6.39 1.13 -0.84 3.66 0.00 -1.71 0.20 119.26 128.09 2hpw h ALA 40 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2hpw h ALA 40 Cb 0.89 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2hpw h ALA 40 CO 0.61 0.02 0.55 1.79 0.00 0.00 0.00 179.25 182.21 2hpw h THR 41 N 0.00 1.17 0.00 0.00 1.35 -1.87 -3.17 112.91 110.40 2hpw h THR 41 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2hpw h THR 41 Cb 0.09 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.49 2hpw h THR 41 CO 0.00 0.20 -0.77 0.35 -0.25 0.00 0.00 175.52 175.06 2hpw n THR 42 N -4.53 0.00 -1.02 6.82 -2.24 -0.74 -4.91 114.28 107.66 2hpw n THR 42 Ca 0.10 -0.16 -0.01 0.00 -2.27 0.00 0.00 64.05 61.70 2hpw n THR 42 Cb 0.05 0.94 -0.00 0.00 -2.10 0.00 0.00 70.33 69.22 2hpw n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hpw n GLY 43 N 1.37 0.43 3.63 3.38 0.00 0.63 -4.77 105.19 109.86 2hpw n GLY 43 Ca 0.02 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 2hpw n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hpw s THR 44 N -2.02 5.32 -0.12 2.61 2.01 -0.79 -0.79 115.64 121.84 2hpw s THR 44 Ca 0.00 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 2hpw s THR 44 Cb 0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 2hpw s THR 44 CO 0.00 0.29 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.51 2hpw s ILE 45 N 1.42 3.53 -0.06 1.82 1.01 0.72 -0.35 121.20 129.30 2hpw s ILE 45 Ca 0.09 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2hpw s ILE 45 Cb -0.15 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.84 2hpw s ILE 45 CO 0.08 0.53 -0.07 -0.54 0.00 0.00 0.00 174.94 174.93 2hpw s LYS 46 N 0.05 1.19 0.06 2.79 1.02 -0.60 -0.52 119.74 123.72 2hpw s LYS 46 Ca -0.02 -0.22 -0.24 0.00 0.02 0.00 0.00 55.97 55.51 2hpw s LYS 46 Cb -0.14 -1.09 0.06 0.00 -0.52 0.00 0.00 37.83 36.14 2hpw s LYS 46 CO 0.03 -0.05 0.56 0.00 -0.92 0.00 0.00 175.35 174.97 2hpw s ALA 47 N 0.88 -1.44 -0.12 5.17 0.00 -0.96 -0.47 121.76 124.81 2hpw s ALA 47 Ca -0.11 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.54 2hpw s ALA 47 Cb -0.15 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 2hpw s ALA 47 CO 0.01 -0.54 -0.19 0.21 0.00 0.00 0.00 175.76 175.25 2hpw s LYS 48 N -2.54 3.19 -0.13 0.00 2.20 -0.50 -0.87 119.74 121.09 2hpw s LYS 48 Ca -0.05 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 2hpw s LYS 48 Cb -0.01 -2.46 -0.01 0.00 -1.51 0.00 0.00 37.83 33.84 2hpw s LYS 48 CO -0.02 0.17 -0.14 0.71 -0.36 0.00 0.00 175.35 175.70 2hpw s TYR 49 N 0.42 2.79 -0.11 4.03 2.02 0.66 -1.11 117.35 126.05 2hpw s TYR 49 Ca -0.14 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 55.87 2hpw s TYR 49 Cb -0.17 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.54 2hpw s TYR 49 CO 0.06 -0.25 -0.16 0.42 -1.57 0.00 0.00 175.55 174.06 2hpw s ILE 50 N 0.39 2.83 -0.70 2.71 1.01 0.17 -0.99 121.20 126.62 2hpw s ILE 50 Ca -0.11 -0.75 -0.27 0.00 0.00 0.00 0.00 60.65 59.51 2hpw s ILE 50 Cb -0.16 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.18 2hpw s ILE 50 CO 0.06 0.54 1.26 0.00 0.00 0.00 0.00 174.94 176.80 2hpw n THR 52 N 6.46 0.42 1.06 0.00 -2.24 -0.13 -2.83 114.28 117.01 2hpw n THR 52 Ca 0.05 -0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2hpw n THR 52 Cb 0.49 -0.66 0.29 0.00 -2.10 0.00 0.00 70.33 68.35 2hpw n THR 52 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2hpw n THR 53 N -1.85 0.00 0.00 4.28 -2.24 -1.25 -5.00 114.28 108.22 2hpw n THR 53 Ca 0.06 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2hpw n THR 53 Cb 0.34 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2hpw n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hpw n GLY 54 N 1.46 0.34 3.77 3.38 0.00 -1.13 -5.02 105.19 107.99 2hpw n GLY 54 Ca 0.07 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 2hpw n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hpw s ASP 55 N -4.00 6.95 -0.03 1.61 -0.00 -1.26 -4.49 116.67 115.45 2hpw s ASP 55 Ca 0.00 2.29 -0.30 0.00 -0.00 0.00 0.00 52.55 54.54 2hpw s ASP 55 Cb 0.00 -2.62 -0.04 0.00 -0.00 0.00 0.00 42.92 40.26 2hpw s ASP 55 CO 0.00 -0.37 1.30 -0.22 -0.00 0.00 0.00 175.17 175.88 2hpw s LEU 56 N -1.95 4.30 0.00 1.23 2.96 -1.26 -4.92 118.68 119.04 2hpw s LEU 56 Ca 0.50 1.97 0.13 0.00 -0.22 0.00 0.00 54.13 56.51 2hpw s LEU 56 Cb -0.31 -3.56 0.56 0.00 0.50 0.00 0.00 46.19 43.38 2hpw s LEU 56 CO 0.39 -0.65 1.39 -0.81 -1.32 0.00 0.00 176.35 175.36 2hpw n PRO 57 N 5.26 1.42 -4.24 0.98 -0.04 -1.26 -4.81 135.00 132.30 2hpw n PRO 57 Ca 0.12 -0.64 -0.14 0.00 -0.04 0.00 0.00 63.50 62.81 2hpw n PRO 57 Cb 0.45 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 2hpw n PRO 57 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2hpw s VAL 58 N -1.82 0.76 0.31 0.52 -7.23 -1.26 -4.88 120.40 106.80 2hpw s VAL 58 Ca 0.22 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.11 2hpw s VAL 58 Cb 0.11 -2.06 -0.10 0.00 0.56 0.00 0.00 36.38 34.89 2hpw s VAL 58 CO 0.17 -0.54 1.36 -2.84 -0.31 0.00 0.00 175.10 172.94 2hpw s PRO 59 N -3.88 4.31 0.28 4.82 0.02 -1.26 -4.91 135.00 134.37 2hpw s PRO 59 Ca 0.22 2.27 0.01 0.00 0.02 0.00 0.00 61.00 63.52 2hpw s PRO 59 Cb 0.06 -3.07 0.59 0.00 0.02 0.00 0.00 34.50 32.09 2hpw s PRO 59 CO 0.03 -0.28 1.78 -1.49 -0.33 0.00 0.00 177.00 176.71 2hpw h TRP 60 N 3.83 0.93 -0.56 6.54 4.06 -1.93 -1.55 115.95 127.27 2hpw h TRP 60 Ca -0.48 0.03 0.03 0.00 2.06 0.00 0.00 58.89 60.53 2hpw h TRP 60 Cb 1.22 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 29.08 2hpw h TRP 60 CO 0.57 0.26 0.37 0.00 -3.56 0.00 0.00 178.44 176.08 2hpw h ALA 61 N 1.57 1.70 0.00 1.49 0.00 -1.88 -1.72 119.26 120.42 2hpw h ALA 61 Ca 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2hpw h ALA 61 Cb 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2hpw h ALA 61 CO -0.34 0.25 0.00 1.79 0.00 0.00 0.00 179.25 180.95 2hpw h THR 62 N 0.66 0.00 -0.00 0.00 1.35 -1.65 -3.08 112.91 110.19 2hpw h THR 62 Ca 0.22 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2hpw h THR 62 Cb 0.06 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2hpw h THR 62 CO -0.06 0.00 -0.86 0.00 -0.25 0.00 0.00 175.52 174.35 2hpw n ILE 63 N -2.75 0.00 -0.16 6.82 0.13 -0.68 -4.58 119.36 118.13 2hpw n ILE 63 Ca 0.03 -0.07 -0.02 0.00 -1.10 0.00 0.00 62.75 61.58 2hpw n ILE 63 Cb 0.37 1.05 0.07 0.00 -0.84 0.00 0.00 39.64 40.29 2hpw n ILE 63 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 2hpw h LEU 64 N 0.43 0.04 -1.55 9.51 5.85 -1.37 -1.93 115.31 126.28 2hpw h LEU 64 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2hpw h LEU 64 Cb 0.52 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2hpw h LEU 64 CO 0.00 0.05 -0.12 0.77 -0.34 0.00 0.00 178.44 178.80 2hpw h SER 65 N 0.26 0.00 -0.24 1.25 4.64 -1.81 -1.41 113.55 116.24 2hpw h SER 65 Ca 0.25 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.40 2hpw h SER 65 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2hpw h SER 65 CO -0.31 0.12 -0.54 0.28 -0.87 0.00 0.00 176.83 175.51 2hpw h SER 66 N 0.00 0.88 0.00 4.97 0.02 -1.67 -3.46 113.55 114.30 2hpw h SER 66 Ca -0.00 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 2hpw h SER 66 Cb 0.52 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2hpw h SER 66 CO 0.02 1.28 0.00 0.18 -1.14 0.00 0.00 176.83 177.16 2hpw n LEU 67 N -4.08 1.32 0.00 5.07 4.77 -0.54 -4.95 117.00 118.59 2hpw n LEU 67 Ca -0.05 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 2hpw n LEU 67 Cb 0.62 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2hpw n LEU 67 CO 0.49 0.22 0.00 1.33 -1.33 0.00 0.00 177.39 178.10 2hpw n VAL 71 N 0.77 0.00 0.25 4.08 0.24 -1.26 -4.94 118.33 117.48 2hpw n VAL 71 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.37 2hpw n VAL 71 Cb 0.22 0.00 0.35 0.00 -1.47 0.00 0.00 33.84 32.94 2hpw n VAL 71 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2hpw n PHE 72 N 0.00 0.39 0.34 6.34 3.72 -1.26 -1.89 117.46 125.10 2hpw n PHE 72 Ca 0.00 0.18 0.23 0.00 -0.05 0.00 0.00 57.45 57.80 2hpw n PHE 72 Cb 0.00 -0.79 1.20 0.00 -0.94 0.00 0.00 39.48 38.95 2hpw n PHE 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hpw n PHE 74 N -3.11 0.03 -1.75 0.00 3.72 -0.79 -4.75 117.46 110.81 2hpw n PHE 74 Ca -0.03 -0.01 -0.40 0.00 -0.05 0.00 0.00 57.45 56.96 2hpw n PHE 74 Cb 0.08 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.64 2hpw n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hpw n ALA 75 N 0.15 1.80 -2.30 4.37 0.00 -0.44 -3.96 120.51 120.12 2hpw n ALA 75 Ca 0.19 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 2hpw n ALA 75 Cb 0.34 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.41 2hpw n ALA 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2hpw s LYS 76 N -2.50 3.41 -0.11 0.00 2.20 -0.15 -4.79 119.74 117.80 2hpw s LYS 76 Ca 0.63 0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 57.05 2hpw s LYS 76 Cb -0.45 -4.10 -0.03 0.00 -1.51 0.00 0.00 37.83 31.74 2hpw s LYS 76 CO 0.56 -1.78 0.01 0.71 -0.36 0.00 0.00 175.35 174.49 2hpw s TYR 77 N 6.01 3.17 0.68 4.03 1.51 -1.26 -0.88 117.35 130.60 2hpw s TYR 77 Ca 0.61 0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 56.67 2hpw s TYR 77 Cb -0.14 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 2hpw s TYR 77 CO 0.30 0.35 1.05 -1.25 -1.11 0.00 0.00 175.55 174.89 2hpw s PRO 78 N -0.50 3.12 0.56 -1.71 0.04 -1.26 -4.95 135.00 130.30 2hpw s PRO 78 Ca 0.09 0.83 0.29 0.00 0.04 0.00 0.00 61.00 62.25 2hpw s PRO 78 Cb -0.12 -2.02 1.65 0.00 0.04 0.00 0.00 34.50 34.05 2hpw s PRO 78 CO 0.02 -0.94 2.16 0.07 0.04 0.00 0.00 177.00 178.36 2hpw h ARG 79 N -0.59 0.00 0.00 4.56 0.11 -2.03 -3.09 114.38 113.33 2hpw h ARG 79 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2hpw h ARG 79 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2hpw h ARG 79 CO 0.59 0.06 -0.43 -2.39 0.10 0.00 0.00 179.97 177.91 2hpw n HIS 80 N -3.68 0.13 -3.67 4.08 1.44 -1.26 -4.75 115.22 107.51 2hpw n HIS 80 Ca -0.02 0.04 -0.37 0.00 -2.01 0.00 0.00 57.72 55.36 2hpw n HIS 80 Cb 0.17 -0.39 -0.10 0.00 0.12 0.00 0.00 29.99 29.79 2hpw n HIS 80 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2hpw s ILE 81 N -3.03 5.32 0.25 0.61 1.01 -1.17 -5.05 121.20 119.13 2hpw s ILE 81 Ca 0.11 0.17 -0.31 0.00 0.00 0.00 0.00 60.65 60.61 2hpw s ILE 81 Cb 0.17 -3.48 -0.12 0.00 0.01 0.00 0.00 42.46 39.04 2hpw s ILE 81 CO 0.67 0.34 1.62 0.00 0.00 0.00 0.00 174.94 177.58 2hpw n ALA 82 N 4.34 2.44 -3.69 9.38 0.00 -1.26 -4.80 120.51 126.92 2hpw n ALA 82 Ca -0.15 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.31 2hpw n ALA 82 Cb 0.52 -2.46 -0.09 0.00 0.00 0.00 0.00 19.45 17.42 2hpw n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2hpw s ASP 83 N 0.73 5.40 0.25 0.00 -1.08 -1.26 -4.56 116.67 116.15 2hpw s ASP 83 Ca 0.69 -2.55 -0.06 0.00 -0.52 0.00 0.00 52.55 50.12 2hpw s ASP 83 Cb -0.53 -1.89 0.26 0.00 -1.46 0.00 0.00 42.92 39.30 2hpw s ASP 83 CO 0.42 -0.46 1.92 0.15 0.52 0.00 0.00 175.17 177.72 2hpw h PHE 84 N 7.48 1.26 0.00 -5.34 3.57 -1.91 -0.51 116.94 121.48 2hpw h PHE 84 Ca -0.06 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 2hpw h PHE 84 Cb 0.99 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2hpw h PHE 84 CO 0.69 0.81 -0.47 0.74 -2.23 0.00 0.00 178.31 177.84 2hpw h PHE 85 N 1.35 0.00 0.04 0.41 0.04 -1.92 -2.57 116.94 114.30 2hpw h PHE 85 Ca 0.36 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.78 2hpw h PHE 85 Cb -0.13 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 2hpw h PHE 85 CO 0.00 0.47 -2.08 1.63 -0.60 0.00 0.00 178.31 177.74 2hpw n LYS 86 N -3.74 0.69 0.11 1.51 5.02 -1.15 -4.35 118.16 116.25 2hpw n LYS 86 Ca -0.01 0.20 0.05 0.00 -2.02 0.00 0.00 58.31 56.54 2hpw n LYS 86 Cb 0.53 -1.66 0.51 0.00 -0.02 0.00 0.00 35.03 34.38 2hpw n LYS 86 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2hpw h SER 87 N 0.03 0.27 0.44 4.39 0.87 -0.98 -1.38 113.55 117.19 2hpw h SER 87 Ca -0.44 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2hpw h SER 87 Cb 2.04 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.93 2hpw h SER 87 CO 0.04 0.21 -0.06 0.35 -0.53 0.00 0.00 176.83 176.84 2hpw n THR 88 N -4.49 0.00 -2.85 2.23 -2.24 -0.98 -4.60 114.28 101.35 2hpw n THR 88 Ca 0.00 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 2hpw n THR 88 Cb 0.08 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 2hpw n THR 88 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2hpw s GLN 89 N -2.51 3.65 0.00 -0.78 -1.52 -0.52 -0.58 119.66 117.41 2hpw s GLN 89 Ca 0.29 0.27 0.30 0.00 -1.95 0.00 0.00 55.36 54.26 2hpw s GLN 89 Cb 0.20 -2.43 1.37 0.00 -0.22 0.00 0.00 33.01 31.94 2hpw s GLN 89 CO 0.47 -0.06 1.96 -0.35 -0.25 0.00 0.00 175.29 177.05 2hpw n PRO 90 N -1.65 0.53 -0.34 2.91 -0.04 -1.26 -3.94 135.00 131.21 2hpw n PRO 90 Ca 0.01 -0.10 -0.04 0.00 -0.04 0.00 0.00 63.50 63.33 2hpw n PRO 90 Cb 0.54 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.60 2hpw n PRO 90 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2hpw h ASP 91 N 0.24 1.13 -5.00 3.54 3.32 -1.84 -3.10 116.42 114.71 2hpw h ASP 91 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2hpw h ASP 91 Cb 0.32 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2hpw h ASP 91 CO 0.00 0.90 0.00 0.61 -1.72 0.00 0.00 179.24 179.03 2hpw n GLY 92 N -1.15 -1.74 3.08 2.75 0.00 0.26 -4.71 105.19 103.68 2hpw n GLY 92 Ca 0.10 -2.23 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 2hpw n GLY 92 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hpw s TYR 93 N -0.99 0.70 0.22 1.61 -0.85 -0.55 -0.54 117.35 116.95 2hpw s TYR 93 Ca 0.00 -0.61 -0.22 0.00 -0.52 0.00 0.00 57.07 55.72 2hpw s TYR 93 Cb 0.00 -0.42 -0.08 0.00 0.38 0.00 0.00 41.96 41.84 2hpw s TYR 93 CO 0.00 -0.11 0.77 0.45 -1.52 0.00 0.00 175.55 175.14 2hpw s SER 94 N -1.93 7.19 -0.26 -0.18 0.15 0.11 -0.70 113.70 118.07 2hpw s SER 94 Ca -0.05 1.54 -0.04 0.00 0.70 0.00 0.00 55.95 58.10 2hpw s SER 94 Cb -0.06 -2.46 0.09 0.00 -1.71 0.00 0.00 66.02 61.87 2hpw s SER 94 CO -0.01 0.07 0.11 -1.58 1.20 0.00 0.00 173.24 173.03 2hpw s GLN 95 N -1.76 0.28 -0.01 5.44 0.74 -0.09 -1.93 119.66 122.33 2hpw s GLN 95 Ca 0.42 -0.52 0.07 0.00 0.05 0.00 0.00 55.36 55.38 2hpw s GLN 95 Cb -0.19 -1.50 -0.03 0.00 1.10 0.00 0.00 33.01 32.40 2hpw s GLN 95 CO 0.23 -0.92 -0.21 -0.51 -0.55 0.00 0.00 175.29 173.34 2hpw s ASP 96 N 2.01 3.54 -0.04 6.67 1.11 -0.72 -1.34 116.67 127.90 2hpw s ASP 96 Ca 0.07 -0.39 -0.21 0.00 0.18 0.00 0.00 52.55 52.21 2hpw s ASP 96 Cb -0.16 -0.56 0.04 0.00 1.07 0.00 0.00 42.92 43.31 2hpw s ASP 96 CO -0.27 0.31 0.46 0.00 1.18 0.00 0.00 175.17 176.84 2hpw s ARG 97 N -0.91 0.80 -0.23 8.23 3.03 0.20 -0.24 118.95 129.83 2hpw s ARG 97 Ca 0.12 0.05 -0.09 0.00 2.03 0.00 0.00 55.73 57.84 2hpw s ARG 97 Cb -0.10 0.37 -0.04 0.00 -1.03 0.00 0.00 34.95 34.14 2hpw s ARG 97 CO 0.01 -0.22 0.11 0.42 -1.13 0.00 0.00 175.30 174.49 2hpw s ILE 98 N -1.13 4.83 -0.38 4.99 -1.09 -0.47 -0.36 121.20 127.59 2hpw s ILE 98 Ca -0.11 -0.00 -0.10 0.00 -2.23 0.00 0.00 60.65 58.21 2hpw s ILE 98 Cb -0.03 -3.24 0.04 0.00 -1.58 0.00 0.00 42.46 37.65 2hpw s ILE 98 CO 0.06 0.36 0.20 -0.63 -1.23 0.00 0.00 174.94 173.70 2hpw s ILE 99 N 1.18 4.34 -0.27 2.92 1.01 -0.02 -1.67 121.20 128.69 2hpw s ILE 99 Ca 0.06 -1.06 -0.14 0.00 0.00 0.00 0.00 60.65 59.51 2hpw s ILE 99 Cb -0.14 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2hpw s ILE 99 CO 0.04 -0.30 0.31 -0.44 0.00 0.00 0.00 174.94 174.55 2hpw s SER 100 N 1.68 6.17 -0.23 3.58 0.01 0.15 -0.77 113.70 124.29 2hpw s SER 100 Ca 0.01 0.19 -0.20 0.00 1.31 0.00 0.00 55.95 57.27 2hpw s SER 100 Cb -0.20 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 2hpw s SER 100 CO 0.05 -0.13 0.59 -0.36 0.41 0.00 0.00 173.24 173.80 2hpw s PHE 101 N 1.94 3.32 0.28 2.43 0.08 -0.41 -0.24 117.98 125.39 2hpw s PHE 101 Ca 0.12 0.81 -0.30 0.00 0.12 0.00 0.00 56.93 57.69 2hpw s PHE 101 Cb -0.16 -2.78 -0.13 0.00 -0.57 0.00 0.00 43.02 39.38 2hpw s PHE 101 CO 0.10 -0.23 1.25 -0.25 -0.10 0.00 0.00 175.22 175.99 2hpw n ASP 102 N 5.33 2.28 -1.41 1.36 9.92 -0.81 -1.09 116.55 132.13 2hpw n ASP 102 Ca -0.02 1.17 -0.18 0.00 -0.53 0.00 0.00 54.79 55.24 2hpw n ASP 102 Cb 0.50 -1.39 -0.07 0.00 -0.64 0.00 0.00 41.12 39.51 2hpw n ASP 102 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2hpw n ASN 103 N 1.47 -5.13 -0.50 -2.24 5.03 -1.26 -4.85 115.26 107.78 2hpw n ASN 103 Ca 0.09 0.40 0.00 0.00 0.87 0.00 0.00 54.58 55.94 2hpw n ASN 103 Cb 0.32 -4.19 0.00 0.00 -1.02 0.00 0.00 39.78 34.90 2hpw n ASN 103 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2hpw n ASP 104 N -0.89 0.00 -2.18 6.41 -0.08 -0.25 -4.84 116.55 114.72 2hpw n ASP 104 Ca -0.18 -0.50 0.00 0.00 -1.51 0.00 0.00 54.79 52.60 2hpw n ASP 104 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 2hpw n ASP 104 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2hpw n GLY 105 N 0.00 -0.13 3.06 0.27 0.00 -1.19 -4.56 105.19 102.64 2hpw n GLY 105 Ca 0.00 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 2hpw n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2hpw s GLN 106 N -0.02 0.54 -0.22 1.61 -2.07 -0.34 -1.28 119.66 117.88 2hpw s GLN 106 Ca 0.00 -0.80 -0.10 0.00 -1.82 0.00 0.00 55.36 52.64 2hpw s GLN 106 Cb 0.00 -0.25 -0.05 0.00 -1.09 0.00 0.00 33.01 31.62 2hpw s GLN 106 CO 0.00 0.04 0.13 0.71 -1.32 0.00 0.00 175.29 174.85 2hpw s TYR 107 N -1.59 3.34 -0.40 9.60 2.02 0.05 -1.79 117.35 128.57 2hpw s TYR 107 Ca -0.09 0.23 -0.16 0.00 -0.37 0.00 0.00 57.07 56.68 2hpw s TYR 107 Cb -0.09 -2.21 0.02 0.00 -0.40 0.00 0.00 41.96 39.28 2hpw s TYR 107 CO -0.00 0.15 0.36 0.34 -1.57 0.00 0.00 175.55 174.82 2hpw s ASP 108 N 0.73 6.15 -0.11 2.29 -1.08 0.66 -0.84 116.67 124.48 2hpw s ASP 108 Ca 0.07 -0.71 0.02 0.00 -0.52 0.00 0.00 52.55 51.40 2hpw s ASP 108 Cb -0.12 -2.19 -0.01 0.00 -1.46 0.00 0.00 42.92 39.14 2hpw s ASP 108 CO 0.02 -0.48 -0.18 -0.69 0.52 0.00 0.00 175.17 174.36 2hpw s VAL 109 N 1.90 2.66 -0.05 1.11 1.01 0.51 -0.90 120.40 126.64 2hpw s VAL 109 Ca 0.09 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2hpw s VAL 109 Cb -0.18 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.15 2hpw s VAL 109 CO 0.12 0.54 -0.06 -0.54 0.00 0.00 0.00 175.10 175.16 2hpw s LYS 110 N 0.25 0.99 0.03 2.72 1.02 -0.36 -0.63 119.74 123.76 2hpw s LYS 110 Ca -0.12 -0.15 -0.00 0.00 0.02 0.00 0.00 55.97 55.71 2hpw s LYS 110 Cb -0.16 -0.96 -0.03 0.00 -0.52 0.00 0.00 37.83 36.16 2hpw s LYS 110 CO 0.06 -0.07 -0.03 0.00 -0.92 0.00 0.00 175.35 174.39 2hpw s ALA 111 N 0.93 0.23 -0.06 5.17 0.00 -0.45 -0.29 121.76 127.29 2hpw s ALA 111 Ca -0.11 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.14 2hpw s ALA 111 Cb -0.14 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 2hpw s ALA 111 CO 0.00 -0.22 -0.22 -1.59 0.00 0.00 0.00 175.76 173.73 2hpw s LYS 112 N -2.15 2.43 -0.23 0.00 -2.85 -0.45 -0.91 119.74 115.58 2hpw s LYS 112 Ca -0.09 -0.81 0.02 0.00 -1.00 0.00 0.00 55.97 54.09 2hpw s LYS 112 Cb -0.05 -2.01 0.05 0.00 -2.06 0.00 0.00 37.83 33.76 2hpw s LYS 112 CO -0.04 0.29 -0.12 0.08 0.10 0.00 0.00 175.35 175.66 2hpw s VAL 113 N 0.02 1.99 0.01 1.79 1.01 0.12 -1.89 120.40 123.45 2hpw s VAL 113 Ca -0.07 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.59 2hpw s VAL 113 Cb -0.14 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2hpw s VAL 113 CO 0.04 0.13 -0.05 0.42 0.00 0.00 0.00 175.10 175.64 2hpw s THR 114 N 1.22 0.34 -0.20 3.92 -4.23 -0.10 -1.48 115.64 115.11 2hpw s THR 114 Ca -0.04 -0.42 -0.16 0.00 -1.18 0.00 0.00 61.69 59.89 2hpw s THR 114 Cb -0.18 -0.33 -0.04 0.00 1.34 0.00 0.00 72.50 73.29 2hpw s THR 114 CO -0.07 -0.06 0.41 -0.47 -0.54 0.00 0.00 174.62 173.89 2hpw s TYR 115 N -0.48 3.38 -0.22 3.99 5.04 -1.17 -0.51 117.35 127.38 2hpw s TYR 115 Ca -0.02 0.64 -0.03 0.00 -2.44 0.00 0.00 57.07 55.22 2hpw s TYR 115 Cb -0.04 -2.54 0.07 0.00 0.35 0.00 0.00 41.96 39.80 2hpw s TYR 115 CO -0.00 -0.02 0.05 -1.21 -1.34 0.00 0.00 175.55 173.04 2hpw s GLU 116 N 1.33 0.64 -1.48 4.97 2.02 0.09 -4.76 118.70 121.51 2hpw s GLU 116 Ca 0.20 -0.55 -0.07 0.00 0.02 0.00 0.00 54.97 54.56 2hpw s GLU 116 Cb -0.15 -2.03 0.06 0.00 0.10 0.00 0.00 34.13 32.11 2hpw s GLU 116 CO 0.08 -0.73 0.69 0.09 0.02 0.00 0.00 175.26 175.42 2hpw n ASN 117 N 5.02 -2.24 0.00 -0.19 3.02 -1.26 -2.19 115.26 117.43 2hpw n ASN 117 Ca -0.08 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 2hpw n ASN 117 Cb 0.46 -3.39 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 2hpw n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hpw n GLY 118 N -1.71 0.31 3.33 7.41 0.00 -1.26 -5.05 105.19 108.21 2hpw n GLY 118 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2hpw n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hpw s THR 119 N -2.10 2.13 -0.22 2.61 2.01 -0.93 -4.17 115.64 114.96 2hpw s THR 119 Ca 0.00 -1.17 -0.14 0.00 0.31 0.00 0.00 61.69 60.69 2hpw s THR 119 Cb 0.00 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 2hpw s THR 119 CO 0.00 0.52 0.31 -0.22 -0.69 0.00 0.00 174.62 174.54 2hpw s LEU 120 N -0.79 4.12 -0.13 4.42 2.96 -0.18 -0.73 118.68 128.36 2hpw s LEU 120 Ca 0.11 0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2hpw s LEU 120 Cb -0.10 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 2hpw s LEU 120 CO -0.00 -0.04 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.63 2hpw s TYR 121 N 1.32 3.00 -0.29 5.38 2.02 0.34 -0.66 117.35 128.45 2hpw s TYR 121 Ca 0.14 -0.22 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2hpw s TYR 121 Cb -0.14 -1.88 0.05 0.00 -0.40 0.00 0.00 41.96 39.58 2hpw s TYR 121 CO 0.07 0.06 -0.01 1.21 -1.57 0.00 0.00 175.55 175.31 2hpw s ASN 122 N 0.02 4.81 -0.19 2.29 2.47 -0.49 -0.92 114.94 122.93 2hpw s ASN 122 Ca -0.00 -1.24 -0.02 0.00 0.42 0.00 0.00 52.86 52.02 2hpw s ASN 122 Cb -0.13 -1.70 -0.00 0.00 -1.45 0.00 0.00 41.25 37.96 2hpw s ASN 122 CO 0.03 -0.24 -0.09 -0.13 -3.72 0.00 0.00 177.10 172.94 2hpw s ARG 123 N 1.25 3.31 0.01 0.43 0.52 -0.79 -1.04 118.95 122.64 2hpw s ARG 123 Ca -0.05 -0.68 -0.00 0.00 -0.52 0.00 0.00 55.73 54.48 2hpw s ARG 123 Cb -0.19 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 32.44 2hpw s ARG 123 CO -0.02 -0.09 -0.00 0.54 0.02 0.00 0.00 175.30 175.75 2hpw s VAL 124 N 1.15 0.04 0.01 3.52 0.11 -0.03 -1.34 120.40 123.87 2hpw s VAL 124 Ca 0.01 -0.31 0.05 0.00 -2.93 0.00 0.00 61.98 58.80 2hpw s VAL 124 Cb -0.14 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 2hpw s VAL 124 CO -0.03 -0.17 -0.14 0.42 -3.33 0.00 0.00 175.10 171.85 2hpw s THR 125 N -0.50 3.07 -0.09 5.04 -4.23 0.61 -1.01 115.64 118.53 2hpw s THR 125 Ca -0.06 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.51 2hpw s THR 125 Cb -0.03 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.54 2hpw s THR 125 CO -0.00 0.42 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.67 2hpw s VAL 126 N -0.89 1.32 -0.23 2.29 1.01 -0.21 -1.22 120.40 122.46 2hpw s VAL 126 Ca 0.14 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2hpw s VAL 126 Cb -0.11 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.10 2hpw s VAL 126 CO 0.05 0.40 -0.14 -0.75 0.00 0.00 0.00 175.10 174.66 2hpw s LYS 127 N 0.91 2.50 -0.21 2.72 2.47 -0.08 -0.98 119.74 127.07 2hpw s LYS 127 Ca -0.09 -1.14 -0.07 0.00 -1.56 0.00 0.00 55.97 53.10 2hpw s LYS 127 Cb -0.15 -2.76 -0.04 0.00 -1.46 0.00 0.00 37.83 33.43 2hpw s LYS 127 CO 0.00 -0.43 0.06 0.20 0.16 0.00 0.00 175.35 175.34 2hpw s GLY 128 N 1.18 1.84 0.07 5.54 0.00 0.73 -0.24 107.32 116.44 2hpw s GLY 128 Ca -0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 2hpw s GLY 128 CO -0.08 0.25 -0.02 -0.51 0.00 0.00 0.00 173.10 172.74 2hpw s THR 129 N 0.89 0.26 -0.00 0.90 -4.23 -0.74 -1.51 115.64 111.22 2hpw s THR 129 Ca 0.04 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2hpw s THR 129 Cb -0.14 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.06 2hpw s THR 129 CO 0.03 -0.88 0.00 0.61 -0.54 0.00 0.00 174.62 173.83 2hpw n GLY 130 N 0.05 0.49 3.78 3.99 0.00 -1.26 -1.20 105.19 111.03 2hpw n GLY 130 Ca -0.12 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 2hpw n GLY 130 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hpw s PHE 131 N -1.97 3.25 -0.07 1.61 0.08 -1.26 -3.15 117.98 116.47 2hpw s PHE 131 Ca 0.00 1.63 -0.14 0.00 0.12 0.00 0.00 56.93 58.55 2hpw s PHE 131 Cb 0.00 -3.20 -0.05 0.00 -0.57 0.00 0.00 43.02 39.19 2hpw s PHE 131 CO 0.00 -0.78 0.35 0.15 -0.10 0.00 0.00 175.22 174.84 2hpw s LYS 132 N -2.34 3.95 0.47 0.44 1.02 -1.26 -4.87 119.74 117.16 2hpw s LYS 132 Ca 0.56 0.26 0.13 0.00 0.02 0.00 0.00 55.97 56.95 2hpw s LYS 132 Cb -0.25 -3.28 1.10 0.00 -0.52 0.00 0.00 37.83 34.88 2hpw s LYS 132 CO 0.31 0.56 2.08 0.77 -0.92 0.00 0.00 175.35 178.15 2hpw h SER 133 N 5.37 0.11 -0.26 2.83 0.02 -1.99 -1.77 113.55 117.86 2hpw h SER 133 Ca -0.49 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2hpw h SER 133 Cb 1.21 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2hpw h SER 133 CO 0.65 0.13 0.00 -0.46 -1.14 0.00 0.00 176.83 176.01 2hpw n ASN 134 N -4.46 1.95 -4.88 3.07 6.94 -1.26 -4.51 115.26 112.10 2hpw n ASN 134 Ca -0.02 -1.82 -0.26 0.00 -0.02 0.00 0.00 54.58 52.46 2hpw n ASN 134 Cb 0.13 -0.17 0.08 0.00 -2.36 0.00 0.00 39.78 37.46 2hpw n ASN 134 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2hpw s GLY 135 N -1.38 1.68 0.48 4.83 0.00 -0.67 -4.92 107.32 107.34 2hpw s GLY 135 Ca 0.31 -0.92 0.30 0.00 0.00 0.00 0.00 44.72 44.40 2hpw s GLY 135 CO 0.24 -0.48 1.86 3.43 0.00 0.00 0.00 173.10 178.15 2hpw h ASN 136 N -0.71 0.00 0.00 1.64 2.35 -1.93 -1.06 115.58 115.86 2hpw h ASN 136 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2hpw h ASN 136 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2hpw h ASN 136 CO 0.60 0.00 -0.23 0.40 -1.65 0.00 0.00 177.43 176.55 2hpw h ILE 137 N 0.00 0.00 -0.61 2.81 5.03 -1.94 -0.62 117.51 122.18 2hpw h ILE 137 Ca 0.00 -0.87 0.01 0.00 -0.12 0.00 0.00 64.86 63.88 2hpw h ILE 137 Cb 0.63 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.39 2hpw h ILE 137 CO 0.00 0.00 0.41 -0.07 -0.68 0.00 0.00 178.15 177.81 2hpw h LEU 138 N -0.87 0.70 0.00 1.44 3.38 -1.81 -2.30 115.31 115.85 2hpw h LEU 138 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2hpw h LEU 138 Cb 0.23 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2hpw h LEU 138 CO 0.00 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.64 2hpw n GLY 139 N -1.44 -1.03 3.61 0.83 0.00 -0.40 -4.92 105.19 101.84 2hpw n GLY 139 Ca 0.06 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2hpw n GLY 139 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2hpw n MET 140 N -1.47 -5.86 -0.06 1.61 2.81 -0.86 -4.91 117.12 108.37 2hpw n MET 140 Ca 0.05 0.72 0.04 0.00 -1.81 0.00 0.00 57.70 56.70 2hpw n MET 140 Cb 0.18 -5.52 0.07 0.00 -0.71 0.00 0.00 33.22 27.24 2hpw n MET 140 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2hpw n ARG 141 N -4.31 1.42 -2.76 0.03 1.74 -0.27 -4.95 116.66 107.55 2hpw n ARG 141 Ca -0.24 -1.42 -0.42 0.00 -0.77 0.00 0.00 57.85 54.99 2hpw n ARG 141 Cb 0.65 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.88 2hpw n ARG 141 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2hpw s VAL 142 N -0.84 4.77 0.88 1.55 1.01 -1.22 -0.50 120.40 126.05 2hpw s VAL 142 Ca 0.13 1.85 -0.10 0.00 0.00 0.00 0.00 61.98 63.86 2hpw s VAL 142 Cb 0.08 -4.23 0.12 0.00 0.00 0.00 0.00 36.38 32.35 2hpw s VAL 142 CO 0.11 -0.08 1.12 -0.76 0.00 0.00 0.00 175.10 175.49 2hpw s LEU 143 N 2.70 2.80 -1.35 3.92 1.02 0.24 -4.84 118.68 123.17 2hpw s LEU 143 Ca 0.41 2.01 -0.09 0.00 0.02 0.00 0.00 54.13 56.49 2hpw s LEU 143 Cb -0.16 -4.48 0.11 0.00 0.02 0.00 0.00 46.19 41.69 2hpw s LEU 143 CO 0.10 -2.77 2.17 0.00 0.02 0.00 0.00 176.35 175.86 2hpw n TYR 144 N -4.01 2.85 -3.49 0.29 9.36 -1.26 -4.62 117.16 116.28 2hpw n TYR 144 Ca 0.10 -2.85 -0.09 0.00 3.32 0.00 0.00 57.90 58.38 2hpw n TYR 144 Cb 0.53 -2.04 -0.02 0.00 -0.63 0.00 0.00 39.34 37.17 2hpw n TYR 144 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 2hpw s HIS 145 N 0.45 -0.39 -0.25 2.98 -3.43 -1.26 -4.82 115.29 108.57 2hpw s HIS 145 Ca 0.47 0.28 -0.00 0.00 -0.80 0.00 0.00 55.06 55.01 2hpw s HIS 145 Cb 0.13 0.54 0.07 0.00 -1.43 0.00 0.00 32.58 31.89 2hpw s HIS 145 CO -0.04 -0.60 0.01 0.45 -2.00 0.00 0.00 174.74 172.56 2hpw s SER 146 N -2.44 3.74 1.15 7.38 0.15 -1.26 -4.76 113.70 117.67 2hpw s SER 146 Ca 0.03 -1.26 -0.13 0.00 0.70 0.00 0.00 55.95 55.29 2hpw s SER 146 Cb -0.01 -1.02 0.28 0.00 -1.71 0.00 0.00 66.02 63.56 2hpw s SER 146 CO -0.09 -0.30 1.04 -2.84 1.20 0.00 0.00 173.24 172.25 2hpw s PRO 147 N 1.51 -0.82 0.39 5.44 0.02 -1.26 -4.22 135.00 136.05 2hpw s PRO 147 Ca -0.00 0.69 -0.25 0.00 0.02 0.00 0.00 61.00 61.47 2hpw s PRO 147 Cb -0.18 -1.58 -0.09 0.00 0.02 0.00 0.00 34.50 32.67 2hpw s PRO 147 CO -0.10 -3.62 1.07 -2.14 -0.33 0.00 0.00 177.00 171.87 2hpw s PRO 148 N -4.59 4.17 0.17 5.54 0.02 -1.26 -4.72 135.00 134.34 2hpw s PRO 148 Ca 0.68 1.58 0.01 0.00 0.02 0.00 0.00 61.00 63.29 2hpw s PRO 148 Cb -0.23 -2.60 -0.05 0.00 0.02 0.00 0.00 34.50 31.64 2hpw s PRO 148 CO 0.63 -0.15 0.02 -1.01 -0.33 0.00 0.00 177.00 176.16 2hpw s HIS 149 N -1.59 1.20 -0.04 6.54 3.76 -0.30 -4.97 115.29 119.88 2hpw s HIS 149 Ca 0.57 -1.06 0.07 0.00 -0.15 0.00 0.00 55.06 54.49 2hpw s HIS 149 Cb -0.24 -0.68 -0.01 0.00 1.11 0.00 0.00 32.58 32.75 2hpw s HIS 149 CO 0.30 -0.26 -0.25 0.00 -0.85 0.00 0.00 174.74 173.68 2hpw s ALA 150 N -3.71 2.12 -0.13 -1.40 0.00 -1.26 -1.00 121.76 116.38 2hpw s ALA 150 Ca 0.25 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.18 2hpw s ALA 150 Cb 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.57 2hpw s ALA 150 CO 0.04 0.45 -0.20 0.08 0.00 0.00 0.00 175.76 176.13 2hpw s VAL 151 N -0.32 2.28 -0.15 0.00 1.01 0.98 -4.48 120.40 119.71 2hpw s VAL 151 Ca 0.01 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.81 2hpw s VAL 151 Cb -0.12 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2hpw s VAL 151 CO 0.02 0.54 0.87 -0.31 0.00 0.00 0.00 175.10 176.23 2hpw s TYR 152 N 0.62 3.44 -0.34 5.22 1.51 -0.65 -0.97 117.35 126.19 2hpw s TYR 152 Ca -0.11 1.34 -0.04 0.00 -1.01 0.00 0.00 57.07 57.25 2hpw s TYR 152 Cb -0.16 -3.06 0.06 0.00 -0.11 0.00 0.00 41.96 38.69 2hpw s TYR 152 CO 0.03 -0.24 0.10 0.42 -1.11 0.00 0.00 175.55 174.75 2hpw s ILE 153 N 2.12 3.47 -0.12 2.71 -1.09 0.13 -2.16 121.20 126.26 2hpw s ILE 153 Ca 0.41 -1.38 0.01 0.00 -2.23 0.00 0.00 60.65 57.45 2hpw s ILE 153 Cb -0.17 -3.05 -0.01 0.00 -1.58 0.00 0.00 42.46 37.65 2hpw s ILE 153 CO 0.13 -0.26 -0.14 -0.76 -1.23 0.00 0.00 174.94 172.68 2hpw s LEU 154 N 1.31 2.64 0.34 2.97 1.43 0.11 -2.01 118.68 125.48 2hpw s LEU 154 Ca -0.01 -0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 52.46 2hpw s LEU 154 Cb -0.20 -1.58 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 2hpw s LEU 154 CO 0.00 0.17 1.29 -2.16 0.23 0.00 0.00 176.35 175.88 2hpw s PRO 155 N 0.29 4.30 -0.38 1.29 0.04 -1.26 -0.16 135.00 139.11 2hpw s PRO 155 Ca -0.11 2.16 0.11 0.00 0.04 0.00 0.00 61.00 63.21 2hpw s PRO 155 Cb -0.16 -3.01 0.33 0.00 0.04 0.00 0.00 34.50 31.71 2hpw s PRO 155 CO 0.06 -0.22 0.70 -3.47 0.04 0.00 0.00 177.00 174.11 2hpw n ASP 156 N 0.68 0.82 -0.31 6.66 2.03 0.32 -4.70 116.55 122.06 2hpw n ASP 156 Ca 0.01 -2.98 0.14 0.00 0.52 0.00 0.00 54.79 52.48 2hpw n ASP 156 Cb 0.42 -0.62 0.37 0.00 -0.72 0.00 0.00 41.12 40.58 2hpw n ASP 156 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2hpw h ARG 157 N 3.16 0.67 -0.76 -0.67 2.43 -1.94 -0.97 114.38 116.30 2hpw h ARG 157 Ca 0.10 -0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.38 2hpw h ARG 157 Cb 0.94 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.29 2hpw h ARG 157 CO 0.50 0.44 0.51 -0.22 -1.51 0.00 0.00 179.97 179.69 2hpw h LYS 158 N 0.69 0.40 -0.48 0.20 3.64 -1.93 -1.34 116.57 117.75 2hpw h LYS 158 Ca 0.52 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 2hpw h LYS 158 Cb 0.90 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2hpw h LYS 158 CO -0.28 0.26 0.00 0.09 -2.27 0.00 0.00 179.45 177.25 2hpw n ASN 159 N -4.48 3.48 -1.20 4.20 4.13 -0.41 -4.98 115.26 116.00 2hpw n ASN 159 Ca 0.15 -2.13 -0.09 0.00 1.68 0.00 0.00 54.58 54.19 2hpw n ASN 159 Cb 0.54 -0.36 0.01 0.00 -1.54 0.00 0.00 39.78 38.42 2hpw n ASN 159 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2hpw n GLY 160 N 0.80 0.12 0.00 7.41 0.00 -0.50 -4.94 105.19 108.07 2hpw n GLY 160 Ca 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2hpw n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hpw n GLY 161 N -1.04 1.65 3.39 -0.02 0.00 -1.01 -4.47 105.19 103.70 2hpw n GLY 161 Ca -0.07 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2hpw n GLY 161 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hpw s MET 162 N 2.14 2.75 -0.25 1.61 -1.94 0.14 -0.52 119.30 123.24 2hpw s MET 162 Ca 0.00 -0.75 -0.12 0.00 -1.71 0.00 0.00 55.69 53.11 2hpw s MET 162 Cb 0.00 -2.39 -0.05 0.00 2.01 0.00 0.00 34.83 34.41 2hpw s MET 162 CO 0.00 0.45 0.23 0.21 -0.01 0.00 0.00 175.02 175.91 2hpw s LYS 163 N -0.30 4.05 -0.10 2.03 2.20 0.77 -0.99 119.74 127.41 2hpw s LYS 163 Ca 0.02 -0.16 0.04 0.00 -0.36 0.00 0.00 55.97 55.50 2hpw s LYS 163 Cb -0.13 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 2hpw s LYS 163 CO 0.03 -0.06 -0.23 0.42 -0.36 0.00 0.00 175.35 175.15 2hpw s ILE 164 N 1.41 1.96 -0.04 5.43 1.01 -0.01 -0.72 121.20 130.25 2hpw s ILE 164 Ca 0.10 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2hpw s ILE 164 Cb -0.15 -1.70 0.03 0.00 0.01 0.00 0.00 42.46 40.65 2hpw s ILE 164 CO 0.07 0.54 -0.01 -1.61 0.00 0.00 0.00 174.94 173.94 2hpw s GLU 165 N 0.40 0.46 0.14 2.79 0.41 -0.92 -0.29 118.70 121.69 2hpw s GLU 165 Ca -0.18 0.06 -0.24 0.00 -0.41 0.00 0.00 54.97 54.20 2hpw s GLU 165 Cb -0.18 -0.67 0.07 0.00 -1.78 0.00 0.00 34.13 31.58 2hpw s GLU 165 CO 0.08 -0.17 0.71 1.52 -0.49 0.00 0.00 175.26 176.91 2hpw s TYR 166 N 1.27 -0.41 -0.01 1.61 -0.85 -0.76 -1.64 117.35 116.55 2hpw s TYR 166 Ca -0.06 0.18 0.01 0.00 -0.52 0.00 0.00 57.07 56.67 2hpw s TYR 166 Cb -0.13 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.75 2hpw s TYR 166 CO -0.02 -0.84 0.02 -0.80 -1.52 0.00 0.00 175.55 172.39 2hpw s ASN 167 N -2.73 5.26 -0.07 -0.18 0.01 -1.26 -0.39 114.94 115.59 2hpw s ASN 167 Ca 0.04 0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.25 2hpw s ASN 167 Cb -0.02 -1.42 -0.03 0.00 0.41 0.00 0.00 41.25 40.19 2hpw s ASN 167 CO -0.08 0.29 -0.09 -0.54 -1.51 0.00 0.00 177.10 175.17 2hpw s LYS 168 N -1.51 2.75 -0.57 -0.60 1.02 -0.36 -4.68 119.74 115.78 2hpw s LYS 168 Ca 0.19 -0.59 0.04 0.00 0.02 0.00 0.00 55.97 55.64 2hpw s LYS 168 Cb -0.12 -2.55 0.14 0.00 -0.52 0.00 0.00 37.83 34.78 2hpw s LYS 168 CO 0.10 0.62 0.33 0.00 -0.92 0.00 0.00 175.35 175.48 2hpw s ALA 169 N -0.70 3.43 0.56 5.17 0.00 -1.26 -0.89 121.76 128.06 2hpw s ALA 169 Ca 0.11 -3.43 -0.16 0.00 0.00 0.00 0.00 51.96 48.47 2hpw s ALA 169 Cb -0.11 -2.16 -0.06 0.00 0.00 0.00 0.00 23.12 20.80 2hpw s ALA 169 CO 0.01 -2.04 1.02 -0.06 0.00 0.00 0.00 175.76 174.69 2hpw s PHE 170 N -0.64 3.26 0.04 0.00 0.08 -0.32 -4.64 117.98 115.76 2hpw s PHE 170 Ca 0.19 1.48 -0.10 0.00 0.12 0.00 0.00 56.93 58.62 2hpw s PHE 170 Cb -0.19 -2.88 -0.05 0.00 -0.57 0.00 0.00 43.02 39.32 2hpw s PHE 170 CO -0.05 -0.71 0.37 -0.51 -0.10 0.00 0.00 175.22 174.21 2hpw s ASP 171 N -3.00 6.64 0.16 1.36 1.01 -1.26 -1.02 116.67 120.56 2hpw s ASP 171 Ca 0.61 0.77 0.10 0.00 0.71 0.00 0.00 52.55 54.74 2hpw s ASP 171 Cb -0.13 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 2hpw s ASP 171 CO 0.35 0.23 -0.20 -0.69 0.21 0.00 0.00 175.17 175.07 2hpw s VAL 172 N -1.30 2.63 0.24 -1.27 1.01 -0.77 -0.59 120.40 120.34 2hpw s VAL 172 Ca 0.29 -1.79 -0.31 0.00 0.00 0.00 0.00 61.98 60.18 2hpw s VAL 172 Cb -0.14 -2.24 -0.14 0.00 0.00 0.00 0.00 36.38 33.86 2hpw s VAL 172 CO 0.16 -0.03 1.36 0.23 0.00 0.00 0.00 175.10 176.82 2hpw n MET 173 N 0.45 1.90 -0.67 2.72 2.81 0.35 -2.08 117.12 122.59 2hpw n MET 173 Ca -0.14 0.68 0.00 0.00 -1.81 0.00 0.00 57.70 56.43 2hpw n MET 173 Cb 0.55 -2.30 0.00 0.00 -0.71 0.00 0.00 33.22 30.76 2hpw n MET 173 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hpw n GLY 174 N 2.04 0.74 0.00 3.03 0.00 -1.26 -4.85 105.19 104.89 2hpw n GLY 174 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2hpw n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hpw n GLY 175 N -2.37 -0.34 0.00 -0.02 0.00 -0.88 -5.11 105.19 96.47 2hpw n GLY 175 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2hpw n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hpw n GLY 176 N -0.32 -0.61 3.27 -0.02 0.00 -1.26 -4.54 105.19 101.72 2hpw n GLY 176 Ca 0.00 -1.75 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 2hpw n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hpw s HIS 177 N -1.28 1.35 -0.19 1.61 0.09 -1.26 -1.85 115.29 113.76 2hpw s HIS 177 Ca 0.00 -0.82 -0.00 0.00 -0.00 0.00 0.00 55.06 54.24 2hpw s HIS 177 Cb 0.00 -0.72 0.05 0.00 -0.00 0.00 0.00 32.58 31.91 2hpw s HIS 177 CO 0.00 0.03 -0.06 -1.14 -0.00 0.00 0.00 174.74 173.57 2hpw s GLN 178 N -3.79 1.57 0.23 1.40 2.00 -0.19 -4.82 119.66 116.07 2hpw s GLN 178 Ca 0.21 -0.68 -0.23 0.00 -2.00 0.00 0.00 55.36 52.66 2hpw s GLN 178 Cb 0.04 -2.22 -0.09 0.00 0.80 0.00 0.00 33.01 31.54 2hpw s GLN 178 CO 0.03 -0.47 0.80 -1.64 -0.50 0.00 0.00 175.29 173.51 2hpw s MET 179 N 1.54 4.43 -0.21 1.67 -1.94 -1.26 -1.17 119.30 122.36 2hpw s MET 179 Ca -0.01 1.07 -0.02 0.00 -1.71 0.00 0.00 55.69 55.02 2hpw s MET 179 Cb -0.16 -2.96 0.06 0.00 2.01 0.00 0.00 34.83 33.78 2hpw s MET 179 CO -0.08 0.41 0.00 0.00 -0.01 0.00 0.00 175.02 175.35 2hpw s ALA 180 N -1.45 1.34 -0.31 3.03 0.00 -0.07 -1.93 121.76 122.37 2hpw s ALA 180 Ca 0.43 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 51.27 2hpw s ALA 180 Cb -0.19 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 2hpw s ALA 180 CO 0.23 -1.18 0.57 1.03 0.00 0.00 0.00 175.76 176.41 2hpw s ARG 181 N 1.70 3.87 -0.33 0.00 1.81 0.67 -1.22 118.95 125.44 2hpw s ARG 181 Ca -0.03 0.18 -0.10 0.00 -1.72 0.00 0.00 55.73 54.07 2hpw s ARG 181 Cb -0.18 -3.73 0.00 0.00 -0.45 0.00 0.00 34.95 30.60 2hpw s ARG 181 CO -0.07 -0.54 0.17 -1.01 -0.68 0.00 0.00 175.30 173.16 2hpw s HIS 182 N 2.49 3.20 -0.29 -0.53 3.76 0.47 -0.68 115.29 123.71 2hpw s HIS 182 Ca 0.23 -0.72 -0.02 0.00 -0.15 0.00 0.00 55.06 54.40 2hpw s HIS 182 Cb -0.15 -2.38 0.04 0.00 1.11 0.00 0.00 32.58 31.20 2hpw s HIS 182 CO 0.12 -0.52 -0.01 0.00 -0.85 0.00 0.00 174.74 173.47 2hpw s ALA 183 N 1.59 2.80 0.06 -1.40 0.00 -0.67 -1.84 121.76 122.30 2hpw s ALA 183 Ca 0.04 -1.67 0.06 0.00 0.00 0.00 0.00 51.96 50.38 2hpw s ALA 183 Cb -0.18 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 2hpw s ALA 183 CO 0.06 -1.15 -0.17 -1.14 0.00 0.00 0.00 175.76 173.37 2hpw s GLN 184 N 1.28 1.02 -0.02 0.00 0.74 0.60 -1.37 119.66 121.91 2hpw s GLN 184 Ca -0.04 -0.93 0.02 0.00 0.05 0.00 0.00 55.36 54.46 2hpw s GLN 184 Cb -0.19 -1.11 0.00 0.00 1.10 0.00 0.00 33.01 32.82 2hpw s GLN 184 CO -0.02 0.27 -0.08 0.12 -0.55 0.00 0.00 175.29 175.03 2hpw s PHE 185 N -1.02 0.81 -0.05 1.67 5.36 0.67 -0.83 117.98 124.58 2hpw s PHE 185 Ca 0.03 -0.19 0.06 0.00 -0.96 0.00 0.00 56.93 55.87 2hpw s PHE 185 Cb -0.09 -0.58 -0.02 0.00 -0.34 0.00 0.00 43.02 42.00 2hpw s PHE 185 CO 0.02 -0.08 -0.24 -0.80 -1.46 0.00 0.00 175.22 172.66 2hpw s ASN 186 N 0.16 3.17 0.01 6.13 0.02 -0.16 -1.76 114.94 122.51 2hpw s ASN 186 Ca -0.02 -0.47 0.00 0.00 -1.02 0.00 0.00 52.86 51.36 2hpw s ASN 186 Cb -0.07 -0.69 -0.01 0.00 0.02 0.00 0.00 41.25 40.50 2hpw s ASN 186 CO 0.00 0.28 -0.02 -0.54 0.02 0.00 0.00 177.10 176.84 2hpw s LYS 187 N -0.35 0.17 0.47 -0.60 1.02 -0.81 -0.68 119.74 118.96 2hpw s LYS 187 Ca 0.02 -0.22 -0.24 0.00 0.02 0.00 0.00 55.97 55.56 2hpw s LYS 187 Cb -0.12 -0.06 -0.07 0.00 -0.52 0.00 0.00 37.83 37.06 2hpw s LYS 187 CO 0.02 0.01 1.32 -2.14 -0.92 0.00 0.00 175.35 173.64 2hpw s PRO 188 N -0.45 3.60 0.12 -1.68 0.02 -1.26 0.07 135.00 135.42 2hpw s PRO 188 Ca -0.04 2.18 0.11 0.00 0.02 0.00 0.00 61.00 63.27 2hpw s PRO 188 Cb -0.03 -2.52 -0.14 0.00 0.02 0.00 0.00 34.50 31.83 2hpw s PRO 188 CO -0.00 -0.80 1.14 -0.07 -0.33 0.00 0.00 177.00 176.94 2hpw h LEU 189 N 2.10 0.00 0.00 -5.54 3.38 -1.13 -3.43 115.31 110.69 2hpw h LEU 189 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2hpw h LEU 189 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2hpw h LEU 189 CO 0.60 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.57 2hpw n GLY 190 N 1.37 4.59 3.77 0.83 0.00 -1.26 -4.99 105.19 109.50 2hpw n GLY 190 Ca -0.04 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2hpw n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpw s ALA 191 N -1.96 3.26 -0.28 4.61 0.00 -1.26 -5.04 121.76 121.09 2hpw s ALA 191 Ca 0.00 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.86 2hpw s ALA 191 Cb 0.00 -3.42 0.10 0.00 0.00 0.00 0.00 23.12 19.80 2hpw s ALA 191 CO 0.00 -0.58 0.78 -0.46 0.00 0.00 0.00 175.76 175.50 2hpw s TRP 192 N -1.30 -0.88 -2.00 0.00 -0.00 -1.26 -4.66 118.94 108.83 2hpw s TRP 192 Ca 0.54 1.82 0.24 0.00 -0.00 0.00 0.00 56.10 58.71 2hpw s TRP 192 Cb -0.34 0.51 1.46 0.00 -0.00 0.00 0.00 33.47 35.10 2hpw s TRP 192 CO 0.44 -0.44 1.83 0.39 -0.00 0.00 0.00 176.95 179.17 2hpw n GLU 193 N 3.87 0.78 -3.36 5.86 1.02 -1.26 -4.90 120.64 122.65 2hpw n GLU 193 Ca -0.19 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.74 2hpw n GLU 193 Cb 0.58 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.58 2hpw n GLU 193 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2hpw n GLU 194 N -0.99 -6.54 -2.81 3.49 1.02 -1.26 -4.94 120.64 108.62 2hpw n GLU 194 Ca 0.18 0.76 -0.43 0.00 -0.02 0.00 0.00 57.16 57.65 2hpw n GLU 194 Cb 0.08 -5.52 -0.02 0.00 -0.02 0.00 0.00 31.44 25.96 2hpw n GLU 194 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2hpw s ASP 195 N -3.16 6.64 -0.02 1.62 2.15 -1.26 -5.00 116.67 117.63 2hpw s ASP 195 Ca 0.47 -1.98 -0.30 0.00 0.43 0.00 0.00 52.55 51.17 2hpw s ASP 195 Cb -0.21 -2.46 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 2hpw s ASP 195 CO 0.58 -1.17 1.38 -0.31 -0.17 0.00 0.00 175.17 175.48 2hpw s TYR 196 N 3.31 2.85 0.70 -5.34 2.02 -1.26 -4.80 117.35 114.83 2hpw s TYR 196 Ca 0.38 0.85 -0.14 0.00 -0.37 0.00 0.00 57.07 57.79 2hpw s TYR 196 Cb -0.03 -3.63 0.02 0.00 -0.40 0.00 0.00 41.96 37.92 2hpw s TYR 196 CO -0.08 -2.33 1.13 -2.14 -1.57 0.00 0.00 175.55 170.57 2hpw s PRO 197 N 2.54 2.47 0.70 -1.71 0.02 -1.26 -4.92 135.00 132.85 2hpw s PRO 197 Ca 0.63 1.46 -0.13 0.00 0.02 0.00 0.00 61.00 62.98 2hpw s PRO 197 Cb -0.30 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.34 2hpw s PRO 197 CO 0.25 -1.52 1.10 -0.51 -0.33 0.00 0.00 177.00 175.99 2hpw s LEU 198 N -5.16 3.24 -0.01 -5.54 1.43 -1.26 -4.37 118.68 107.01 2hpw s LEU 198 Ca 0.68 1.90 -0.37 0.00 -1.03 0.00 0.00 54.13 55.31 2hpw s LEU 198 Cb -0.22 -4.54 -0.16 0.00 0.03 0.00 0.00 46.19 41.30 2hpw s LEU 198 CO 0.45 -1.77 1.51 0.00 0.23 0.00 0.00 176.35 176.77 2hpw n TYR 199 N -2.89 1.80 -4.04 0.29 9.36 -1.26 -4.81 117.16 115.61 2hpw n TYR 199 Ca 0.10 0.52 -0.13 0.00 3.32 0.00 0.00 57.90 61.70 2hpw n TYR 199 Cb 0.52 -2.41 -0.03 0.00 -0.63 0.00 0.00 39.34 36.79 2hpw n TYR 199 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 2hpw s HIS 200 N 1.57 0.89 0.25 2.98 -3.43 -0.85 -4.72 115.29 111.98 2hpw s HIS 200 Ca 0.88 -1.19 0.10 0.00 -0.80 0.00 0.00 55.06 54.06 2hpw s HIS 200 Cb -0.93 0.06 -0.05 0.00 -1.43 0.00 0.00 32.58 30.23 2hpw s HIS 200 CO 0.51 -1.18 -0.11 -1.01 -2.00 0.00 0.00 174.74 170.95 2hpw s HIS 201 N -3.03 2.50 0.02 0.38 3.76 -1.09 -0.69 115.29 117.14 2hpw s HIS 201 Ca 0.28 -0.27 0.05 0.00 -0.15 0.00 0.00 55.06 54.96 2hpw s HIS 201 Cb -0.01 -1.13 -0.03 0.00 1.11 0.00 0.00 32.58 32.52 2hpw s HIS 201 CO 0.18 0.63 -0.10 -0.51 -0.85 0.00 0.00 174.74 174.09 2hpw s LEU 202 N -3.38 3.00 0.03 0.89 1.43 -0.14 -0.12 118.68 120.38 2hpw s LEU 202 Ca 0.29 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2hpw s LEU 202 Cb -0.06 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 2hpw s LEU 202 CO 0.16 0.27 0.05 0.42 0.23 0.00 0.00 176.35 177.48 2hpw s THR 203 N -0.99 4.42 -0.04 5.49 -4.23 0.30 -0.02 115.64 120.58 2hpw s THR 203 Ca 0.17 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 60.06 2hpw s THR 203 Cb -0.11 -3.05 0.01 0.00 1.34 0.00 0.00 72.50 70.69 2hpw s THR 203 CO 0.07 0.26 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.63 2hpw s VAL 204 N -1.23 0.83 -0.02 2.29 1.01 -0.17 -1.66 120.40 121.44 2hpw s VAL 204 Ca 0.24 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.91 2hpw s VAL 204 Cb -0.12 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 2hpw s VAL 204 CO 0.16 0.27 -0.15 0.86 0.00 0.00 0.00 175.10 176.24 2hpw s TRP 205 N 0.38 1.40 0.00 5.22 -0.00 -0.38 -1.16 118.94 124.40 2hpw s TRP 205 Ca -0.07 -0.32 0.01 0.00 -0.00 0.00 0.00 56.10 55.72 2hpw s TRP 205 Cb -0.11 -0.93 -0.00 0.00 -0.00 0.00 0.00 33.47 32.43 2hpw s TRP 205 CO 0.01 -0.07 -0.02 0.99 -0.00 0.00 0.00 176.95 177.86 2hpw s THR 206 N -0.17 0.14 -0.11 5.86 2.01 -1.26 -0.49 115.64 121.63 2hpw s THR 206 Ca 0.02 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 61.91 2hpw s THR 206 Cb -0.08 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.28 2hpw s THR 206 CO 0.00 0.01 -0.15 -0.55 -0.69 0.00 0.00 174.62 173.25 2hpw s SER 207 N -0.11 3.87 -0.01 3.53 0.15 0.37 -4.69 113.70 116.80 2hpw s SER 207 Ca -0.00 -0.34 -0.05 0.00 0.70 0.00 0.00 55.95 56.25 2hpw s SER 207 Cb -0.01 -1.44 -0.04 0.00 -1.71 0.00 0.00 66.02 62.82 2hpw s SER 207 CO -0.00 0.20 0.24 -0.36 1.20 0.00 0.00 173.24 174.51 2hpw s PHE 208 N 0.16 3.57 0.09 3.44 0.40 -1.26 -1.81 117.98 122.57 2hpw s PHE 208 Ca -0.08 0.51 -0.01 0.00 -0.60 0.00 0.00 56.93 56.75 2hpw s PHE 208 Cb -0.15 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.44 2hpw s PHE 208 CO 0.05 0.63 0.13 0.41 0.70 0.00 0.00 175.22 177.14 2hpw n GLY 209 N 1.12 2.82 3.27 4.36 0.00 0.12 -4.98 105.19 111.90 2hpw n GLY 209 Ca -0.12 -1.42 -0.19 0.00 0.00 0.00 0.00 46.02 44.30 2hpw n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hpw s LYS 210 N -2.19 1.12 -0.47 1.61 -0.14 -1.26 -1.76 119.74 116.65 2hpw s LYS 210 Ca 0.07 -1.33 -0.27 0.00 -1.36 0.00 0.00 55.97 53.08 2hpw s LYS 210 Cb -0.00 -1.01 0.03 0.00 -1.68 0.00 0.00 37.83 35.16 2hpw s LYS 210 CO 0.05 0.19 1.02 0.34 -0.76 0.00 0.00 175.35 176.19 2hpw s ASP 211 N -2.64 6.56 0.59 2.83 -1.08 -1.26 -4.92 116.67 116.75 2hpw s ASP 211 Ca 0.12 0.27 0.39 0.00 -0.52 0.00 0.00 52.55 52.81 2hpw s ASP 211 Cb -0.04 -2.49 1.92 0.00 -1.46 0.00 0.00 42.92 40.85 2hpw s ASP 211 CO 0.04 -1.14 2.17 1.55 0.52 0.00 0.00 175.17 178.31 2hpw h PRO 212 N 9.14 0.00 -0.01 4.34 0.13 -2.05 -0.70 132.00 142.85 2hpw h PRO 212 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2hpw h PRO 212 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2hpw h PRO 212 CO 1.07 0.00 -0.15 -0.25 -0.23 0.00 0.00 178.00 178.44 2hpw n ASP 213 N -3.01 0.93 -4.11 1.44 8.00 -1.26 -4.73 116.55 113.81 2hpw n ASP 213 Ca -0.01 -0.94 -0.36 0.00 0.71 0.00 0.00 54.79 54.18 2hpw n ASP 213 Cb 0.16 0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.19 2hpw n ASP 213 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2hpw s ASP 214 N -2.36 5.23 0.00 -2.24 -1.08 -0.27 -4.90 116.67 111.05 2hpw s ASP 214 Ca 0.30 -2.15 0.22 0.00 -0.52 0.00 0.00 52.55 50.40 2hpw s ASP 214 Cb 0.20 -1.82 0.60 0.00 -1.46 0.00 0.00 42.92 40.43 2hpw s ASP 214 CO 0.46 -0.51 1.50 0.47 0.52 0.00 0.00 175.17 177.61 2hpw n ASP 215 N 4.43 3.71 -0.08 -0.34 8.00 -1.26 -4.59 116.55 126.42 2hpw n ASP 215 Ca -0.01 -2.00 -0.13 0.00 0.71 0.00 0.00 54.79 53.37 2hpw n ASP 215 Cb 0.41 -0.43 -0.07 0.00 -0.02 0.00 0.00 41.12 41.00 2hpw n ASP 215 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2hpw n GLU 216 N 1.55 0.40 -3.92 -1.24 1.02 -1.26 -5.05 120.64 112.13 2hpw n GLU 216 Ca 0.23 0.11 -0.25 0.00 -0.02 0.00 0.00 57.16 57.23 2hpw n GLU 216 Cb 0.60 -1.28 -0.03 0.00 -0.02 0.00 0.00 31.44 30.71 2hpw n GLU 216 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2hpw s THR 217 N -2.32 5.29 -0.27 2.62 -4.23 -1.26 -5.07 115.64 110.39 2hpw s THR 217 Ca -0.22 -0.75 -0.23 0.00 -1.18 0.00 0.00 61.69 59.31 2hpw s THR 217 Cb 0.06 -3.78 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 2hpw s THR 217 CO 0.36 -0.19 0.77 -0.62 -0.54 0.00 0.00 174.62 174.40 2hpw s ASP 218 N -3.48 6.70 0.21 3.99 2.15 -1.26 -5.02 116.67 119.96 2hpw s ASP 218 Ca 0.35 0.80 -0.13 0.00 0.43 0.00 0.00 52.55 53.99 2hpw s ASP 218 Cb -0.10 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2hpw s ASP 218 CO 0.29 -0.53 0.44 -1.38 -0.17 0.00 0.00 175.17 173.82 2hpw s HIS 219 N 2.83 0.22 -0.03 -5.34 -3.43 -1.26 -1.13 115.29 107.15 2hpw s HIS 219 Ca 0.32 -0.58 0.01 0.00 -0.80 0.00 0.00 55.06 54.01 2hpw s HIS 219 Cb -0.15 0.19 0.02 0.00 -1.43 0.00 0.00 32.58 31.21 2hpw s HIS 219 CO 0.10 -0.90 -0.03 -1.17 -2.00 0.00 0.00 174.74 170.73 2hpw s LEU 220 N -2.96 1.41 0.02 5.38 2.96 -0.16 -4.93 118.68 120.40 2hpw s LEU 220 Ca 0.17 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 2hpw s LEU 220 Cb 0.00 -0.36 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 2hpw s LEU 220 CO 0.03 -0.04 -0.03 0.42 -1.32 0.00 0.00 176.35 175.41 2hpw s THR 221 N 0.75 3.93 0.06 3.68 -4.23 -0.72 -0.24 115.64 118.86 2hpw s THR 221 Ca -0.09 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 59.69 2hpw s THR 221 Cb -0.12 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 2hpw s THR 221 CO -0.00 0.32 -0.10 0.27 -0.54 0.00 0.00 174.62 174.57 2hpw s ILE 222 N -1.11 0.77 -0.13 2.99 -4.36 -0.05 -0.70 121.20 118.62 2hpw s ILE 222 Ca 0.20 -1.28 0.03 0.00 -0.26 0.00 0.00 60.65 59.34 2hpw s ILE 222 Cb -0.11 -0.91 0.01 0.00 1.25 0.00 0.00 42.46 42.69 2hpw s ILE 222 CO 0.11 -0.39 -0.21 -0.69 0.24 0.00 0.00 174.94 174.00 2hpw s VAL 223 N -1.64 1.97 0.01 8.37 1.01 -0.75 -2.28 120.40 127.10 2hpw s VAL 223 Ca -0.04 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.02 2hpw s VAL 223 Cb -0.08 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2hpw s VAL 223 CO 0.01 0.53 -0.05 -0.70 0.00 0.00 0.00 175.10 174.89 2hpw s GLU 224 N 0.75 0.39 -0.13 2.72 2.12 0.32 -0.48 118.70 124.39 2hpw s GLU 224 Ca -0.09 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 54.87 2hpw s GLU 224 Cb -0.16 -0.27 0.02 0.00 0.26 0.00 0.00 34.13 33.98 2hpw s GLU 224 CO 0.00 0.06 -0.16 0.08 -0.54 0.00 0.00 175.26 174.71 2hpw s VAL 225 N -0.62 1.59 -0.08 3.70 1.01 0.36 -0.20 120.40 126.16 2hpw s VAL 225 Ca -0.04 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.31 2hpw s VAL 225 Cb -0.05 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 2hpw s VAL 225 CO -0.00 0.46 -0.22 -0.63 0.00 0.00 0.00 175.10 174.70 2hpw s ILE 226 N 1.18 1.90 -0.01 2.22 1.01 0.03 -1.25 121.20 126.27 2hpw s ILE 226 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2hpw s ILE 226 Cb -0.14 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.70 2hpw s ILE 226 CO -0.05 0.53 -0.01 -0.54 0.00 0.00 0.00 174.94 174.87 2hpw s LYS 227 N 0.18 0.16 0.32 2.79 1.02 -0.67 -0.98 119.74 122.56 2hpw s LYS 227 Ca -0.12 0.00 -0.27 0.00 0.02 0.00 0.00 55.97 55.60 2hpw s LYS 227 Cb -0.16 -0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 36.82 2hpw s LYS 227 CO 0.06 -0.03 1.04 0.00 -0.92 0.00 0.00 175.35 175.50 2hpw s ALA 228 N 0.36 3.26 -0.12 5.17 0.00 -0.06 -0.54 121.76 129.83 2hpw s ALA 228 Ca -0.03 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.68 2hpw s ALA 228 Cb -0.06 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.81 2hpw s ALA 228 CO -0.01 -0.08 -0.18 0.08 0.00 0.00 0.00 175.76 175.58 2hpw s VAL 229 N -1.40 1.70 -0.18 0.00 1.01 0.82 -4.84 120.40 117.52 2hpw s VAL 229 Ca 0.49 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 2hpw s VAL 229 Cb -0.26 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 2hpw s VAL 229 CO 0.33 0.48 0.98 -0.62 0.00 0.00 0.00 175.10 176.26 2hpw s ASP 230 N 0.91 7.10 0.00 3.32 -1.08 -1.26 -2.68 116.67 122.98 2hpw s ASP 230 Ca -0.07 1.36 0.16 0.00 -0.52 0.00 0.00 52.55 53.48 2hpw s ASP 230 Cb -0.15 -2.52 0.72 0.00 -1.46 0.00 0.00 42.92 39.50 2hpw s ASP 230 CO -0.01 -0.54 1.50 0.18 0.52 0.00 0.00 175.17 176.81 2hpw n LEU 231 N 5.70 0.00 0.26 -1.34 4.77 -1.26 -1.31 117.00 123.83 2hpw n LEU 231 Ca 0.09 0.44 0.18 0.00 -0.03 0.00 0.00 56.01 56.69 2hpw n LEU 231 Cb 0.47 -0.44 0.83 0.00 -2.33 0.00 0.00 43.42 41.95 2hpw n LEU 231 CO 0.51 -0.20 1.02 -0.33 -1.33 0.00 0.00 177.39 177.06 2hpw h GLU 232 N 0.00 0.00 0.00 3.23 5.08 -1.96 -1.53 114.58 119.40 2hpw h GLU 232 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hpw h GLU 232 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2hpw h GLU 232 CO 0.00 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.26 2hpw n THR 233 N -2.86 0.78 0.15 1.13 -2.24 -0.43 -2.25 114.28 108.55 2hpw n THR 233 Ca -0.01 0.14 0.05 0.00 -2.27 0.00 0.00 64.05 61.96 2hpw n THR 233 Cb 0.18 -1.01 0.05 0.00 -2.10 0.00 0.00 70.33 67.45 2hpw n THR 233 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2hpw h TYR 234 N 0.00 0.00 0.00 4.78 -1.99 -1.47 -3.52 116.97 114.77 2hpw h TYR 234 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2hpw h TYR 234 Cb 0.41 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.14 2hpw h TYR 234 CO 0.00 0.37 0.00 -2.13 -0.00 0.00 0.00 178.16 176.40