#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bwj s ARG 9 N 0.00 3.20 -0.41 1.96 3.52 -1.24 -5.06 118.95 120.92 2bwj s ARG 9 Ca 0.00 -0.91 0.07 0.00 -0.13 0.00 0.00 55.73 54.76 2bwj s ARG 9 Cb 0.00 -2.75 0.33 0.00 -1.56 0.00 0.00 34.95 30.97 2bwj s ARG 9 CO 0.00 0.37 1.26 0.36 -0.81 0.00 0.00 175.30 176.48 2bwj n LYS 10 N -1.35 0.99 -2.89 5.12 -0.00 -1.26 -4.93 118.16 113.83 2bwj n LYS 10 Ca -0.07 -1.69 -0.09 0.00 -0.00 0.00 0.00 58.31 56.46 2bwj n LYS 10 Cb 0.58 -0.34 -0.03 0.00 -0.00 0.00 0.00 35.03 35.23 2bwj n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2bwj s LYS 12 N -2.56 3.34 -0.14 0.00 0.00 -1.26 -4.90 119.74 114.22 2bwj s LYS 12 Ca 0.11 1.86 0.02 0.00 0.00 0.00 0.00 55.97 57.96 2bwj s LYS 12 Cb 0.01 -4.27 0.01 0.00 0.00 0.00 0.00 37.83 33.58 2bwj s LYS 12 CO 0.08 -1.85 -0.21 0.42 0.00 0.00 0.00 175.35 173.79 2bwj s ILE 13 N 7.24 1.97 -0.13 3.79 1.01 -1.26 -1.03 121.20 132.79 2bwj s ILE 13 Ca 0.90 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.66 2bwj s ILE 13 Cb -0.30 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.43 2bwj s ILE 13 CO 0.35 0.53 -0.19 -0.63 0.00 0.00 0.00 174.94 175.00 2bwj s ILE 14 N 0.94 1.80 -0.08 2.92 -1.09 -0.16 -0.31 121.20 125.23 2bwj s ILE 14 Ca -0.05 -0.82 -0.11 0.00 -2.23 0.00 0.00 60.65 57.44 2bwj s ILE 14 Cb -0.15 -1.61 -0.05 0.00 -1.58 0.00 0.00 42.46 39.07 2bwj s ILE 14 CO -0.04 0.50 0.27 -0.36 -1.23 0.00 0.00 174.94 174.08 2bwj s PHE 15 N 0.90 3.63 -0.09 3.97 0.08 -0.56 -0.11 117.98 125.79 2bwj s PHE 15 Ca -0.07 0.73 0.02 0.00 0.12 0.00 0.00 56.93 57.73 2bwj s PHE 15 Cb -0.15 -2.15 0.02 0.00 -0.57 0.00 0.00 43.02 40.17 2bwj s PHE 15 CO -0.02 0.62 -0.13 -1.50 -0.10 0.00 0.00 175.22 174.09 2bwj s ILE 16 N -0.81 1.28 -0.03 0.64 2.07 -0.41 0.16 121.20 124.10 2bwj s ILE 16 Ca 0.19 -0.52 0.05 0.00 -1.41 0.00 0.00 60.65 58.96 2bwj s ILE 16 Cb -0.14 -1.19 -0.01 0.00 0.13 0.00 0.00 42.46 41.25 2bwj s ILE 16 CO 0.08 0.40 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.69 2bwj s ILE 17 N 0.98 1.52 -0.13 2.00 1.01 0.56 -1.58 121.20 125.56 2bwj s ILE 17 Ca -0.08 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 2bwj s ILE 17 Cb -0.15 -1.29 0.12 0.00 0.01 0.00 0.00 42.46 41.16 2bwj s ILE 17 CO -0.00 0.43 0.99 -0.83 0.00 0.00 0.00 174.94 175.53 2bwj s GLY 18 N -0.21 -0.30 0.88 6.18 0.00 -1.26 -0.09 107.32 112.51 2bwj s GLY 18 Ca 0.01 1.83 -0.13 0.00 0.00 0.00 0.00 44.72 46.43 2bwj s GLY 18 CO 0.01 0.88 1.17 -0.32 0.00 0.00 0.00 173.10 174.84 2bwj s GLY 19 N -1.40 1.60 0.16 0.20 0.00 -1.26 -4.90 107.32 101.71 2bwj s GLY 19 Ca -0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 44.72 43.75 2bwj s GLY 19 CO -0.01 -0.10 1.74 2.56 0.00 0.00 0.00 173.10 177.30 2bwj s PRO 20 N -5.47 4.15 0.00 2.90 0.04 -1.26 -1.45 135.00 133.91 2bwj s PRO 20 Ca 0.64 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.23 2bwj s PRO 20 Cb -0.12 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2bwj s PRO 20 CO 0.51 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 177.19 2bwj n GLY 21 N 4.06 0.78 0.29 0.56 0.00 -1.26 -4.78 105.19 104.83 2bwj n GLY 21 Ca 0.16 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.35 2bwj n GLY 21 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bwj h SER 22 N 0.00 0.00 0.00 1.61 4.64 -1.60 -3.44 113.55 114.76 2bwj h SER 22 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bwj h SER 22 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2bwj h SER 22 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 2bwj n GLY 23 N -0.55 0.88 0.27 -0.77 0.00 -1.26 -4.84 105.19 98.93 2bwj n GLY 23 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2bwj n GLY 23 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2bwj h LYS 24 N 1.05 0.87 -0.01 1.61 3.64 -1.90 -2.26 116.57 119.57 2bwj h LYS 24 Ca 0.00 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2bwj h LYS 24 Cb 0.00 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2bwj h LYS 24 CO 0.00 1.01 0.00 0.78 -2.27 0.00 0.00 179.45 178.97 2bwj h GLY 25 N 0.93 0.01 1.38 5.01 0.00 -1.96 -0.75 103.07 107.70 2bwj h GLY 25 Ca 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 2bwj h GLY 25 CO 0.06 0.01 -0.16 -0.91 0.00 0.00 0.00 176.54 175.53 2bwj h THR 26 N -0.07 1.26 -0.46 4.70 1.35 -2.00 -2.88 112.91 114.81 2bwj h THR 26 Ca 0.00 -1.22 -0.08 0.00 -0.55 0.00 0.00 66.41 64.55 2bwj h THR 26 Cb 0.08 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 2bwj h THR 26 CO -0.00 0.41 -0.06 1.56 -0.25 0.00 0.00 175.52 177.18 2bwj h GLN 27 N 0.65 0.79 -0.62 4.72 1.08 -1.19 -2.36 115.11 118.18 2bwj h GLN 27 Ca 0.10 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2bwj h GLN 27 Cb 0.64 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 2bwj h GLN 27 CO 0.04 0.83 0.37 0.00 -0.95 0.00 0.00 178.83 179.13 2bwj h GLU 29 N 0.85 0.68 -0.61 0.00 5.08 -1.26 -1.41 114.58 117.91 2bwj h GLU 29 Ca 0.22 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2bwj h GLU 29 Cb -0.02 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2bwj h GLU 29 CO -0.04 0.78 0.40 0.87 -1.00 0.00 0.00 179.01 180.02 2bwj h LYS 30 N 0.50 0.80 -0.55 2.33 1.57 -1.13 -0.32 116.57 119.77 2bwj h LYS 30 Ca 0.11 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2bwj h LYS 30 Cb 0.47 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2bwj h LYS 30 CO 0.02 0.53 0.21 -0.07 -0.57 0.00 0.00 179.45 179.56 2bwj h LEU 31 N 0.82 0.78 -0.18 2.94 3.38 -1.00 -0.75 115.31 121.29 2bwj h LEU 31 Ca 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2bwj h LEU 31 Cb -0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2bwj h LEU 31 CO -0.05 0.75 0.08 0.58 0.09 0.00 0.00 178.44 179.89 2bwj h VAL 32 N 0.76 1.15 -0.60 1.22 2.07 -1.12 0.51 116.25 120.24 2bwj h VAL 32 Ca 0.18 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.33 2bwj h VAL 32 Cb 0.23 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 2bwj h VAL 32 CO -0.01 0.14 0.27 -0.08 0.02 0.00 0.00 177.57 177.92 2bwj h GLU 33 N 0.15 0.49 0.09 1.57 4.22 -0.91 0.89 114.58 121.08 2bwj h GLU 33 Ca 0.06 -0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.32 2bwj h GLU 33 Cb 0.15 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.31 2bwj h GLU 33 CO -0.01 0.32 -0.65 -0.22 -2.18 0.00 0.00 179.01 176.27 2bwj h LYS 34 N 0.50 0.28 0.00 1.92 3.64 -0.89 -3.39 116.57 118.63 2bwj h LYS 34 Ca 0.29 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2bwj h LYS 34 Cb 0.28 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2bwj h LYS 34 CO -0.24 1.17 -1.67 0.66 -2.27 0.00 0.00 179.45 177.10 2bwj n TYR 35 N -4.22 0.00 -1.50 1.91 4.01 0.18 -5.00 117.16 112.54 2bwj n TYR 35 Ca -0.12 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.55 2bwj n TYR 35 Cb 0.74 -0.34 -0.02 0.00 -0.31 0.00 0.00 39.34 39.41 2bwj n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bwj n GLY 36 N 1.37 0.60 3.78 2.72 0.00 0.30 -4.77 105.19 109.19 2bwj n GLY 36 Ca -0.02 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 2bwj n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bwj s PHE 37 N -2.25 2.79 -0.46 1.61 0.08 -1.26 -3.94 117.98 114.55 2bwj s PHE 37 Ca 0.00 1.55 -0.27 0.00 0.12 0.00 0.00 56.93 58.32 2bwj s PHE 37 Cb 0.00 -3.29 0.03 0.00 -0.57 0.00 0.00 43.02 39.19 2bwj s PHE 37 CO 0.00 -1.44 1.05 0.99 -0.10 0.00 0.00 175.22 175.71 2bwj s THR 38 N -1.71 4.33 -0.23 0.64 2.01 0.72 -4.79 115.64 116.62 2bwj s THR 38 Ca 0.69 1.05 -0.20 0.00 0.31 0.00 0.00 61.69 63.53 2bwj s THR 38 Cb -0.25 -4.52 -0.02 0.00 0.01 0.00 0.00 72.50 67.72 2bwj s THR 38 CO 0.29 -0.91 0.61 -2.28 -0.69 0.00 0.00 174.62 171.64 2bwj s HIS 39 N 4.12 3.32 -0.02 4.92 2.46 -1.26 -0.42 115.29 128.41 2bwj s HIS 39 Ca 0.43 0.84 0.06 0.00 0.47 0.00 0.00 55.06 56.87 2bwj s HIS 39 Cb -0.09 -2.80 -0.01 0.00 -0.13 0.00 0.00 32.58 29.55 2bwj s HIS 39 CO 0.29 -0.24 -0.21 -0.51 -2.47 0.00 0.00 174.74 171.59 2bwj s LEU 40 N 2.19 2.02 0.05 8.88 1.43 -0.03 -4.96 118.68 128.26 2bwj s LEU 40 Ca 0.27 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2bwj s LEU 40 Cb -0.16 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 2bwj s LEU 40 CO 0.09 0.24 -0.05 -0.94 0.23 0.00 0.00 176.35 175.92 2bwj s SER 41 N -0.39 0.69 0.31 2.29 1.04 -1.26 -1.14 113.70 115.24 2bwj s SER 41 Ca 0.05 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 2bwj s SER 41 Cb -0.09 0.10 0.48 0.00 0.10 0.00 0.00 66.02 66.60 2bwj s SER 41 CO 0.00 -0.36 1.94 0.71 0.98 0.00 0.00 173.24 176.51 2bwj h THR 42 N 3.94 1.20 -0.49 2.02 1.35 -1.94 -1.28 112.91 117.71 2bwj h THR 42 Ca -0.34 -0.47 -0.02 0.00 -0.55 0.00 0.00 66.41 65.03 2bwj h THR 42 Cb 1.18 0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.79 2bwj h THR 42 CO 0.51 0.22 0.23 1.23 -0.25 0.00 0.00 175.52 177.46 2bwj h GLY 43 N 1.02 0.77 1.33 5.82 0.00 -1.97 0.60 103.07 110.64 2bwj h GLY 43 Ca 0.26 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 2bwj h GLY 43 CO -0.05 0.36 -0.53 -2.09 0.00 0.00 0.00 176.54 174.24 2bwj h GLU 44 N 0.66 0.70 -0.23 4.80 4.57 -1.93 -0.63 114.58 122.52 2bwj h GLU 44 Ca 0.17 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2bwj h GLU 44 Cb 0.12 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2bwj h GLU 44 CO -0.02 1.06 0.15 -0.07 -1.18 0.00 0.00 179.01 178.94 2bwj h LEU 45 N 0.54 0.26 0.00 1.64 3.38 -0.94 -0.24 115.31 119.96 2bwj h LEU 45 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bwj h LEU 45 Cb 1.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2bwj h LEU 45 CO 0.11 0.19 -0.00 -0.07 0.09 0.00 0.00 178.44 178.76 2bwj h LEU 46 N 0.30 -0.00 -0.59 1.67 3.38 -0.87 -0.46 115.31 118.74 2bwj h LEU 46 Ca 0.08 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.11 2bwj h LEU 46 Cb -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 2bwj h LEU 46 CO -0.02 0.05 0.11 -0.09 0.09 0.00 0.00 178.44 178.58 2bwj h ARG 47 N -0.06 0.23 -0.57 1.13 9.65 -0.97 0.40 114.38 124.20 2bwj h ARG 47 Ca -0.00 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 2bwj h ARG 47 Cb 0.05 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 2bwj h ARG 47 CO 0.00 0.16 0.19 1.49 2.80 0.00 0.00 179.97 184.61 2bwj h GLU 48 N 0.24 0.88 -0.24 0.20 4.81 -0.87 -2.27 114.58 117.33 2bwj h GLU 48 Ca 0.31 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2bwj h GLU 48 Cb 0.46 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2bwj h GLU 48 CO -0.41 0.79 0.11 1.49 -0.73 0.00 0.00 179.01 180.26 2bwj h GLU 49 N 0.80 0.35 0.00 1.92 4.57 -0.60 -2.90 114.58 118.71 2bwj h GLU 49 Ca 0.19 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2bwj h GLU 49 Cb 0.26 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2bwj h GLU 49 CO -0.01 0.35 -0.07 -0.07 -1.18 0.00 0.00 179.01 178.04 2bwj h LEU 50 N 0.25 0.00 -0.60 1.64 3.38 -0.71 0.12 115.31 119.39 2bwj h LEU 50 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2bwj h LEU 50 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2bwj h LEU 50 CO -0.01 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.59 2bwj h ALA 51 N 1.93 1.00 0.00 1.53 0.00 -1.21 -3.37 119.26 119.14 2bwj h ALA 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bwj h ALA 51 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2bwj h ALA 51 CO 0.01 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.92 2bwj h SER 52 N 0.00 0.00 0.00 0.00 4.64 -0.67 -3.46 113.55 114.05 2bwj h SER 52 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bwj h SER 52 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2bwj h SER 52 CO 0.00 0.00 0.00 1.21 -0.87 0.00 0.00 176.83 177.17 2bwj n GLU 53 N -2.57 -0.96 -1.41 4.77 4.07 -1.26 -4.98 120.64 118.30 2bwj n GLU 53 Ca 0.03 0.24 -0.30 0.00 -0.06 0.00 0.00 57.16 57.07 2bwj n GLU 53 Cb 0.36 -4.11 0.10 0.00 -0.06 0.00 0.00 31.44 27.73 2bwj n GLU 53 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2bwj s SER 54 N -2.08 4.36 0.23 4.31 1.04 -1.26 -4.93 113.70 115.38 2bwj s SER 54 Ca 0.00 1.50 0.02 0.00 0.48 0.00 0.00 55.95 57.95 2bwj s SER 54 Cb 0.00 -2.24 0.25 0.00 0.10 0.00 0.00 66.02 64.13 2bwj s SER 54 CO 0.00 -2.08 1.58 -0.08 0.98 0.00 0.00 173.24 173.65 2bwj h GLU 55 N -1.16 0.39 -0.31 4.02 4.57 -1.98 -2.54 114.58 117.57 2bwj h GLU 55 Ca -0.47 -0.23 -0.10 0.00 -1.18 0.00 0.00 59.36 57.39 2bwj h GLU 55 Cb 1.26 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 2bwj h GLU 55 CO 0.56 0.81 -0.21 -0.09 -1.18 0.00 0.00 179.01 178.90 2bwj h ARG 56 N 0.31 0.58 -0.28 1.92 2.43 -1.99 -2.76 114.38 114.59 2bwj h ARG 56 Ca 0.01 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 2bwj h ARG 56 Cb 0.99 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 2bwj h ARG 56 CO 0.09 0.75 0.14 0.66 -1.51 0.00 0.00 179.97 180.10 2bwj h SER 57 N 0.51 0.33 0.25 -3.80 4.64 -1.74 -1.64 113.55 112.09 2bwj h SER 57 Ca 0.08 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.22 2bwj h SER 57 Cb 0.64 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2bwj h SER 57 CO 0.05 0.28 -0.65 0.11 -0.87 0.00 0.00 176.83 175.74 2bwj h LYS 58 N 0.38 0.38 -0.21 4.77 1.79 -1.21 0.94 116.57 123.41 2bwj h LYS 58 Ca 0.10 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 2bwj h LYS 58 Cb 0.03 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2bwj h LYS 58 CO -0.02 0.90 0.07 1.25 -1.08 0.00 0.00 179.45 180.58 2bwj h LEU 59 N 0.27 0.30 -0.73 2.94 5.85 -1.28 0.17 115.31 122.84 2bwj h LEU 59 Ca -0.01 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 2bwj h LEU 59 Cb 1.20 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2bwj h LEU 59 CO 0.11 0.40 0.33 0.40 -0.34 0.00 0.00 178.44 179.34 2bwj h ILE 60 N 0.18 1.24 -0.70 4.05 2.04 -1.14 -2.20 117.51 120.98 2bwj h ILE 60 Ca 0.07 -0.71 -0.07 0.00 1.00 0.00 0.00 64.86 65.15 2bwj h ILE 60 Cb 0.20 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2bwj h ILE 60 CO -0.00 0.29 0.16 -0.09 0.00 0.00 0.00 178.15 178.51 2bwj h ARG 61 N 1.04 1.13 -0.34 2.37 2.43 -0.67 -0.72 114.38 119.61 2bwj h ARG 61 Ca 0.25 -0.28 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2bwj h ARG 61 Cb 0.15 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 2bwj h ARG 61 CO -0.03 1.00 0.06 -0.44 -1.51 0.00 0.00 179.97 179.06 2bwj h ASP 62 N 1.07 -0.00 -0.10 -3.80 3.32 -0.26 -0.69 116.42 115.96 2bwj h ASP 62 Ca 0.22 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 2bwj h ASP 62 Cb 0.39 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2bwj h ASP 62 CO 0.00 0.04 -0.02 0.40 -1.72 0.00 0.00 179.24 177.94 2bwj h ILE 63 N 0.18 1.29 -0.05 0.35 2.04 -1.19 -2.98 117.51 117.15 2bwj h ILE 63 Ca 0.16 -0.94 -0.09 0.00 1.00 0.00 0.00 64.86 65.00 2bwj h ILE 63 Cb 0.19 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2bwj h ILE 63 CO -0.22 0.27 -0.38 0.24 0.00 0.00 0.00 178.15 178.06 2bwj h MET 64 N -0.12 0.09 0.00 2.37 2.86 -1.11 -1.71 114.93 117.31 2bwj h MET 64 Ca 0.03 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2bwj h MET 64 Cb 0.43 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2bwj h MET 64 CO 0.01 0.46 0.00 -1.91 1.06 0.00 0.00 176.91 176.53 2bwj n GLU 65 N -4.07 0.16 0.02 1.72 2.13 -0.27 -0.84 120.64 119.49 2bwj n GLU 65 Ca -0.02 0.38 0.12 0.00 0.66 0.00 0.00 57.16 58.30 2bwj n GLU 65 Cb 0.43 -1.79 0.15 0.00 0.27 0.00 0.00 31.44 30.50 2bwj n GLU 65 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2bwj n ARG 66 N -2.09 0.16 -1.51 5.31 1.74 -0.97 -4.96 116.66 114.34 2bwj n ARG 66 Ca 0.03 0.03 -0.05 0.00 -0.77 0.00 0.00 57.85 57.08 2bwj n ARG 66 Cb 0.23 -1.58 -0.01 0.00 -1.02 0.00 0.00 32.46 30.08 2bwj n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bwj n GLY 67 N 1.42 0.54 4.01 -0.13 0.00 -0.02 -5.05 105.19 105.95 2bwj n GLY 67 Ca 0.04 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 2bwj n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bwj s ASP 68 N -2.88 4.87 -0.09 1.61 1.01 -0.68 -5.01 116.67 115.49 2bwj s ASP 68 Ca 0.00 -0.48 -0.28 0.00 0.71 0.00 0.00 52.55 52.50 2bwj s ASP 68 Cb 0.00 -0.10 -0.02 0.00 1.01 0.00 0.00 42.92 43.81 2bwj s ASP 68 CO 0.00 -1.47 0.92 -0.22 0.21 0.00 0.00 175.17 174.61 2bwj s LEU 69 N -4.85 4.27 -0.14 1.23 2.96 -1.26 -4.46 118.68 116.43 2bwj s LEU 69 Ca 0.62 1.44 -0.29 0.00 -0.22 0.00 0.00 54.13 55.68 2bwj s LEU 69 Cb -0.07 -3.43 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 2bwj s LEU 69 CO 0.40 -0.35 1.08 -0.69 -1.32 0.00 0.00 176.35 175.48 2bwj s VAL 70 N 1.64 4.59 0.36 1.68 1.01 -1.26 -4.97 120.40 123.45 2bwj s VAL 70 Ca 0.46 1.89 -0.28 0.00 0.00 0.00 0.00 61.98 64.05 2bwj s VAL 70 Cb -0.18 -4.22 -0.12 0.00 0.00 0.00 0.00 36.38 31.86 2bwj s VAL 70 CO 0.19 -0.07 1.38 -2.65 0.00 0.00 0.00 175.10 173.96 2bwj n PRO 71 N 5.63 2.37 0.26 2.72 -0.02 -1.26 -4.88 135.00 139.83 2bwj n PRO 71 Ca 0.11 0.83 0.11 0.00 -2.02 0.00 0.00 63.50 62.53 2bwj n PRO 71 Cb 0.47 -2.49 0.71 0.00 -0.02 0.00 0.00 33.50 32.17 2bwj n PRO 71 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2bwj h SER 72 N 2.70 0.00 -0.36 2.55 4.64 -2.00 -2.09 113.55 118.99 2bwj h SER 72 Ca -0.48 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 2bwj h SER 72 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2bwj h SER 72 CO 0.63 0.09 0.14 1.23 -0.87 0.00 0.00 176.83 178.05 2bwj h GLY 73 N 0.42 0.65 0.68 -0.77 0.00 -1.99 0.15 103.07 102.20 2bwj h GLY 73 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 2bwj h GLY 73 CO 0.01 0.31 -0.07 -2.22 0.00 0.00 0.00 176.54 174.57 2bwj h ILE 74 N 0.60 1.34 -0.91 2.60 5.03 -1.75 -2.10 117.51 122.31 2bwj h ILE 74 Ca 0.14 -1.16 0.00 0.00 -0.12 0.00 0.00 64.86 63.73 2bwj h ILE 74 Cb 0.17 1.90 -0.04 0.00 -3.03 0.00 0.00 36.82 35.82 2bwj h ILE 74 CO -0.01 0.33 0.59 0.58 -0.68 0.00 0.00 178.15 178.96 2bwj h VAL 75 N -0.17 1.24 -0.59 1.67 2.07 -1.30 -1.79 116.25 117.39 2bwj h VAL 75 Ca 0.02 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 2bwj h VAL 75 Cb 0.56 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2bwj h VAL 75 CO 0.02 0.24 0.05 0.25 0.02 0.00 0.00 177.57 178.14 2bwj h LEU 76 N 1.25 0.95 -0.53 2.57 5.85 -0.70 -1.32 115.31 123.37 2bwj h LEU 76 Ca 0.33 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2bwj h LEU 76 Cb -0.11 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.64 2bwj h LEU 76 CO -0.07 0.98 0.23 -0.08 -0.34 0.00 0.00 178.44 179.16 2bwj h GLU 77 N 0.91 0.78 -0.54 1.25 4.57 -1.00 0.13 114.58 120.69 2bwj h GLU 77 Ca 0.18 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2bwj h GLU 77 Cb 0.47 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 2bwj h GLU 77 CO 0.02 0.67 0.35 -0.07 -1.18 0.00 0.00 179.01 178.80 2bwj h LEU 78 N 0.71 0.59 0.02 1.64 3.38 -1.05 -0.93 115.31 119.67 2bwj h LEU 78 Ca 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2bwj h LEU 78 Cb 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2bwj h LEU 78 CO -0.02 0.42 -0.01 0.25 0.09 0.00 0.00 178.44 179.18 2bwj h LEU 79 N 0.70 -0.02 -0.55 1.67 5.85 -1.01 -1.86 115.31 120.09 2bwj h LEU 79 Ca 0.21 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.99 2bwj h LEU 79 Cb -0.05 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 2bwj h LEU 79 CO -0.06 0.01 0.18 0.50 -0.34 0.00 0.00 178.44 178.73 2bwj h LYS 80 N -0.05 0.33 -0.50 1.25 1.63 -0.50 -1.52 116.57 117.21 2bwj h LYS 80 Ca -0.00 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2bwj h LYS 80 Cb 0.04 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 2bwj h LYS 80 CO 0.00 0.22 0.29 0.93 -3.45 0.00 0.00 179.45 177.45 2bwj h GLU 81 N 0.34 0.69 -0.82 1.90 5.08 -1.03 -0.72 114.58 120.02 2bwj h GLU 81 Ca 0.27 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2bwj h GLU 81 Cb 0.34 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2bwj h GLU 81 CO -0.30 0.52 0.54 0.00 -1.00 0.00 0.00 179.01 178.77 2bwj h ALA 82 N 1.13 1.42 -0.27 3.43 0.00 -0.99 -0.67 119.26 123.31 2bwj h ALA 82 Ca 0.18 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 2bwj h ALA 82 Cb 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2bwj h ALA 82 CO -0.03 0.54 -0.57 0.52 0.00 0.00 0.00 179.25 179.71 2bwj h MET 83 N 1.11 0.84 -0.09 0.00 2.86 -0.65 -2.33 114.93 116.67 2bwj h MET 83 Ca 0.30 -0.55 -0.15 0.00 -2.06 0.00 0.00 59.70 57.24 2bwj h MET 83 Cb -0.13 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2bwj h MET 83 CO -0.07 1.18 -0.60 -0.39 1.06 0.00 0.00 176.91 178.09 2bwj h VAL 84 N 0.64 1.37 0.00 -2.22 -1.51 -0.88 -2.56 116.25 111.10 2bwj h VAL 84 Ca 0.01 -1.95 -0.06 0.00 -1.23 0.00 0.00 66.70 63.47 2bwj h VAL 84 Cb 1.17 1.96 -0.01 0.00 -2.13 0.00 0.00 31.29 32.29 2bwj h VAL 84 CO 0.12 0.58 -0.31 0.00 -1.23 0.00 0.00 177.57 176.74 2bwj h ALA 85 N 1.14 1.11 -0.01 5.19 0.00 -1.06 -3.14 119.26 122.48 2bwj h ALA 85 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2bwj h ALA 85 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2bwj h ALA 85 CO 0.10 0.39 -0.35 0.43 0.00 0.00 0.00 179.25 179.81 2bwj n SER 86 N -3.62 1.78 -4.77 0.00 7.64 -0.88 -4.91 113.62 108.86 2bwj n SER 86 Ca -0.01 -1.37 -0.39 0.00 1.01 0.00 0.00 58.87 58.12 2bwj n SER 86 Cb 0.43 0.32 -0.02 0.00 -1.01 0.00 0.00 64.21 63.93 2bwj n SER 86 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bwj s LEU 87 N -2.43 4.29 0.00 -3.43 1.43 -0.98 -3.05 118.68 114.52 2bwj s LEU 87 Ca 0.22 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 2bwj s LEU 87 Cb 0.19 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2bwj s LEU 87 CO 0.52 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 177.12 2bwj n GLY 88 N 0.74 0.42 2.70 -3.19 0.00 -1.26 -4.85 105.19 99.75 2bwj n GLY 88 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 2bwj n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bwj n ASP 89 N 0.00 -1.81 -3.69 1.61 5.68 -1.19 -5.14 116.55 112.01 2bwj n ASP 89 Ca 0.00 -2.46 -0.10 0.00 -0.50 0.00 0.00 54.79 51.73 2bwj n ASP 89 Cb 0.00 0.97 -0.05 0.00 -1.14 0.00 0.00 41.12 40.89 2bwj n ASP 89 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2bwj s THR 90 N 0.11 0.08 -0.44 2.12 -1.32 -1.17 -5.03 115.64 110.00 2bwj s THR 90 Ca 0.22 -0.68 0.23 0.00 -1.21 0.00 0.00 61.69 60.25 2bwj s THR 90 Cb 0.40 -1.15 0.09 0.00 -1.51 0.00 0.00 72.50 70.33 2bwj s THR 90 CO -0.09 -0.37 1.28 0.08 -2.21 0.00 0.00 174.62 173.30 2bwj h ARG 91 N 2.58 0.00 0.00 7.08 -0.00 -1.86 -3.49 114.38 118.68 2bwj h ARG 91 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.65 2bwj h ARG 91 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.21 2bwj h ARG 91 CO 0.48 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 180.86 2bwj n GLY 92 N 1.23 2.31 3.51 0.08 0.00 -1.26 -4.54 105.19 106.52 2bwj n GLY 92 Ca 0.02 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 2bwj n GLY 92 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bwj s PHE 93 N -2.00 3.06 -0.39 1.61 0.40 -0.20 -0.20 117.98 120.26 2bwj s PHE 93 Ca 0.00 -0.27 -0.10 0.00 -0.60 0.00 0.00 56.93 55.96 2bwj s PHE 93 Cb 0.00 -2.00 0.05 0.00 0.51 0.00 0.00 43.02 41.58 2bwj s PHE 93 CO 0.00 -0.04 0.23 -1.17 0.70 0.00 0.00 175.22 174.94 2bwj s LEU 94 N 0.47 4.89 -0.26 -0.37 2.96 0.44 -0.98 118.68 125.83 2bwj s LEU 94 Ca -0.02 -1.22 -0.07 0.00 -0.22 0.00 0.00 54.13 52.60 2bwj s LEU 94 Cb -0.14 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 2bwj s LEU 94 CO 0.02 -0.45 0.06 -0.63 -1.32 0.00 0.00 176.35 174.03 2bwj s ILE 95 N 1.50 4.03 -0.20 6.68 1.01 0.84 -0.85 121.20 134.20 2bwj s ILE 95 Ca 0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 2bwj s ILE 95 Cb -0.21 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 2bwj s ILE 95 CO 0.05 0.26 -0.00 -0.62 0.00 0.00 0.00 174.94 174.62 2bwj s ASP 96 N 1.55 4.78 -0.60 3.58 2.15 -0.29 -1.29 116.67 126.54 2bwj s ASP 96 Ca 0.05 -0.22 0.00 0.00 0.43 0.00 0.00 52.55 52.81 2bwj s ASP 96 Cb -0.16 -1.82 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 2bwj s ASP 96 CO 0.02 0.05 0.00 0.61 -0.17 0.00 0.00 175.17 175.68 2bwj n GLY 97 N 4.34 0.77 3.02 2.66 0.00 -0.62 -4.44 105.19 110.92 2bwj n GLY 97 Ca -0.17 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 2bwj n GLY 97 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bwj s TYR 98 N -2.00 0.67 0.74 1.61 5.04 -1.26 -4.41 117.35 117.74 2bwj s TYR 98 Ca 0.00 -0.25 -0.12 0.00 -2.44 0.00 0.00 57.07 54.26 2bwj s TYR 98 Cb 0.00 -0.41 0.04 0.00 0.35 0.00 0.00 41.96 41.93 2bwj s TYR 98 CO 0.00 -0.03 1.11 -1.25 -1.34 0.00 0.00 175.55 174.04 2bwj s PRO 99 N -0.69 2.54 0.00 4.97 0.04 -1.26 -4.68 135.00 135.92 2bwj s PRO 99 Ca -0.01 0.47 0.21 0.00 0.04 0.00 0.00 61.00 61.70 2bwj s PRO 99 Cb -0.05 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2bwj s PRO 99 CO 0.00 -1.27 1.02 0.54 0.04 0.00 0.00 177.00 177.33 2bwj n ARG 100 N -3.16 1.32 -3.73 4.56 5.12 -1.26 -4.96 116.66 114.55 2bwj n ARG 100 Ca 0.07 -0.92 -0.10 0.00 -1.93 0.00 0.00 57.85 54.97 2bwj n ARG 100 Cb 0.57 -1.42 -0.04 0.00 -1.16 0.00 0.00 32.46 30.41 2bwj n ARG 100 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2bwj s GLU 101 N -2.33 1.31 0.10 5.56 -1.05 -1.26 -4.60 118.70 116.43 2bwj s GLU 101 Ca 0.17 -0.85 -0.20 0.00 -0.15 0.00 0.00 54.97 53.94 2bwj s GLU 101 Cb 0.17 0.50 -0.08 0.00 -0.44 0.00 0.00 34.13 34.28 2bwj s GLU 101 CO 0.53 -0.55 1.65 0.28 0.95 0.00 0.00 175.26 178.13 2bwj h VAL 102 N 2.24 1.15 0.00 1.83 2.07 -1.93 -2.73 116.25 118.88 2bwj h VAL 102 Ca -0.30 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2bwj h VAL 102 Cb 1.26 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2bwj h VAL 102 CO 0.40 0.14 -0.03 0.07 0.02 0.00 0.00 177.57 178.17 2bwj h LYS 103 N 0.18 0.00 -0.44 1.57 -0.00 -1.99 0.11 116.57 116.01 2bwj h LYS 103 Ca 0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 60.58 2bwj h LYS 103 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.37 2bwj h LYS 103 CO -0.01 0.03 -0.27 1.96 -0.00 0.00 0.00 179.45 181.16 2bwj h GLN 104 N 0.00 0.96 -0.40 0.07 4.20 -1.91 -1.83 115.11 116.20 2bwj h GLN 104 Ca -0.00 -0.44 -0.10 0.00 0.06 0.00 0.00 58.65 58.17 2bwj h GLN 104 Cb 0.06 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2bwj h GLN 104 CO 0.00 1.10 -0.15 0.78 -0.67 0.00 0.00 178.83 179.89 2bwj h GLY 105 N 0.86 0.79 0.92 3.46 0.00 -0.75 -0.24 103.07 108.11 2bwj h GLY 105 Ca 0.09 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 2bwj h GLY 105 CO 0.08 0.57 0.09 0.83 0.00 0.00 0.00 176.54 178.10 2bwj h GLU 106 N 0.66 0.57 -0.54 4.80 5.08 -0.80 -0.80 114.58 123.56 2bwj h GLU 106 Ca 0.11 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2bwj h GLU 106 Cb 0.63 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2bwj h GLU 106 CO 0.04 0.62 0.07 0.93 -1.00 0.00 0.00 179.01 179.67 2bwj h GLU 107 N 0.43 0.87 -0.38 2.33 4.39 -1.26 -1.53 114.58 119.43 2bwj h GLU 107 Ca 0.11 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2bwj h GLU 107 Cb 0.30 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2bwj h GLU 107 CO 0.00 0.82 0.24 0.35 -1.16 0.00 0.00 179.01 179.27 2bwj h PHE 108 N 0.82 0.48 -0.30 4.33 3.57 -0.87 -1.28 116.94 123.70 2bwj h PHE 108 Ca 0.17 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.71 2bwj h PHE 108 Cb 0.40 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2bwj h PHE 108 CO 0.02 0.32 0.08 0.78 -2.23 0.00 0.00 178.31 177.29 2bwj h GLY 109 N 0.50 0.36 0.92 2.40 0.00 -0.77 0.17 103.07 106.65 2bwj h GLY 109 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 2bwj h GLY 109 CO -0.03 0.01 -0.01 3.21 0.00 0.00 0.00 176.54 179.72 2bwj h ARG 110 N 0.20 -0.02 0.13 4.80 3.08 -1.16 -3.14 114.38 118.27 2bwj h ARG 110 Ca 0.14 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.84 2bwj h ARG 110 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2bwj h ARG 110 CO -0.16 0.07 -1.83 0.00 -1.07 0.00 0.00 179.97 176.98 2bwj h ARG 111 N -0.10 0.29 0.00 0.04 2.47 -1.19 -3.45 114.38 112.44 2bwj h ARG 111 Ca -0.00 -0.49 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 2bwj h ARG 111 Cb 0.09 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 2bwj h ARG 111 CO 0.00 1.18 -0.42 -0.89 0.56 0.00 0.00 179.97 180.40 2bwj n ILE 112 N -3.48 1.21 0.00 2.04 5.41 0.46 -4.09 119.36 120.92 2bwj n ILE 112 Ca -0.26 0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.77 2bwj n ILE 112 Cb 1.06 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 38.12 2bwj n ILE 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2bwj n GLY 113 N 2.55 -0.17 3.86 7.39 0.00 -0.45 -3.49 105.19 114.87 2bwj n GLY 113 Ca -0.06 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 2bwj n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bwj s ASP 114 N 0.00 6.38 0.30 1.61 1.01 -1.26 -3.55 116.67 121.16 2bwj s ASP 114 Ca 0.00 0.45 -0.29 0.00 0.71 0.00 0.00 52.55 53.42 2bwj s ASP 114 Cb 0.00 -2.08 -0.10 0.00 1.01 0.00 0.00 42.92 41.75 2bwj s ASP 114 CO 0.00 0.37 1.25 -2.16 0.21 0.00 0.00 175.17 174.84 2bwj s PRO 115 N -0.81 4.44 0.30 8.23 0.04 -1.26 -4.80 135.00 141.14 2bwj s PRO 115 Ca 0.14 2.08 0.12 0.00 0.04 0.00 0.00 61.00 63.38 2bwj s PRO 115 Cb -0.12 -3.12 0.44 0.00 0.04 0.00 0.00 34.50 31.75 2bwj s PRO 115 CO 0.03 -0.08 1.65 1.96 0.04 0.00 0.00 177.00 180.61 2bwj h GLN 116 N 3.71 0.00 -2.57 4.56 1.08 -1.01 -3.44 115.11 117.45 2bwj h GLN 116 Ca -0.48 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.62 2bwj h GLN 116 Cb 1.22 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 28.42 2bwj h GLN 116 CO 0.67 0.55 -0.14 -1.17 -0.95 0.00 0.00 178.83 177.79 2bwj s LEU 117 N -7.56 0.15 -0.19 1.46 2.96 -1.22 -3.83 118.68 110.45 2bwj s LEU 117 Ca -0.01 0.93 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 2bwj s LEU 117 Cb 0.13 1.67 0.04 0.00 0.50 0.00 0.00 46.19 48.53 2bwj s LEU 117 CO 0.75 -0.20 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.76 2bwj s VAL 118 N 0.14 1.76 -0.22 1.68 1.01 0.13 -1.50 120.40 123.40 2bwj s VAL 118 Ca -0.01 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 2bwj s VAL 118 Cb -0.03 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2bwj s VAL 118 CO 0.01 0.26 0.27 -0.63 0.00 0.00 0.00 175.10 175.01 2bwj s ILE 119 N 1.36 5.29 -0.23 2.22 1.01 0.12 -1.09 121.20 129.89 2bwj s ILE 119 Ca 0.00 0.42 -0.06 0.00 0.00 0.00 0.00 60.65 61.02 2bwj s ILE 119 Cb -0.15 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2bwj s ILE 119 CO -0.09 0.32 0.02 0.00 0.00 0.00 0.00 174.94 175.19 2bwj s MET 121 N 1.49 3.53 -0.12 0.00 1.00 0.87 0.52 119.30 126.59 2bwj s MET 121 Ca 0.06 -1.33 -0.28 0.00 0.00 0.00 0.00 55.69 54.13 2bwj s MET 121 Cb -0.15 -4.99 -0.01 0.00 0.00 0.00 0.00 34.83 29.68 2bwj s MET 121 CO 0.01 -1.97 0.96 0.34 0.00 0.00 0.00 175.02 174.36 2bwj s ASP 122 N 4.18 7.17 -0.17 3.03 2.15 0.20 -4.38 116.67 128.86 2bwj s ASP 122 Ca 0.37 1.44 -0.15 0.00 0.43 0.00 0.00 52.55 54.64 2bwj s ASP 122 Cb -0.04 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.10 2bwj s ASP 122 CO -0.07 -0.43 0.44 0.00 -0.17 0.00 0.00 175.17 174.95 2bwj s SER 124 N 0.39 5.20 0.28 0.00 1.04 -1.26 -4.88 113.70 114.47 2bwj s SER 124 Ca -0.01 1.92 -0.00 0.00 0.48 0.00 0.00 55.95 58.34 2bwj s SER 124 Cb -0.04 -2.54 0.49 0.00 0.10 0.00 0.00 66.02 64.03 2bwj s SER 124 CO -0.01 -1.57 1.88 0.00 0.98 0.00 0.00 173.24 174.52 2bwj h ALA 125 N -0.05 1.48 -0.29 5.32 0.00 -2.01 -1.96 119.26 121.74 2bwj h ALA 125 Ca -0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2bwj h ALA 125 Cb 1.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2bwj h ALA 125 CO 0.55 0.36 0.12 0.22 0.00 0.00 0.00 179.25 180.50 2bwj h ASP 126 N 1.08 0.40 -0.03 0.00 1.82 -1.98 -0.16 116.42 117.56 2bwj h ASP 126 Ca 0.43 -0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 56.91 2bwj h ASP 126 Cb 0.25 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.16 2bwj h ASP 126 CO -0.18 0.45 0.02 0.74 -1.61 0.00 0.00 179.24 178.65 2bwj h THR 127 N 0.33 1.03 -0.54 2.25 2.02 -1.86 -0.68 112.91 115.46 2bwj h THR 127 Ca 0.10 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2bwj h THR 127 Cb 0.17 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2bwj h THR 127 CO -0.01 0.03 0.22 0.24 0.37 0.00 0.00 175.52 176.37 2bwj h MET 128 N 0.00 0.80 -0.34 6.66 2.86 -1.30 -0.98 114.93 122.63 2bwj h MET 128 Ca 0.01 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2bwj h MET 128 Cb 0.03 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 2bwj h MET 128 CO -0.00 0.69 0.15 1.15 1.06 0.00 0.00 176.91 179.96 2bwj h THR 129 N 0.73 0.95 -0.30 2.22 2.02 -0.91 -0.30 112.91 117.31 2bwj h THR 129 Ca 0.18 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 2bwj h THR 129 Cb 0.19 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2bwj h THR 129 CO -0.02 0.06 -0.20 0.78 0.37 0.00 0.00 175.52 176.51 2bwj h ASN 130 N 0.32 0.71 -0.32 4.18 2.35 -0.85 0.00 115.58 121.97 2bwj h ASN 130 Ca 0.15 -0.43 0.05 0.00 -0.55 0.00 0.00 56.30 55.52 2bwj h ASN 130 Cb 0.09 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.21 2bwj h ASN 130 CO -0.12 0.99 0.03 0.03 -1.65 0.00 0.00 177.43 176.71 2bwj h ARG 131 N 0.43 0.13 -0.51 0.81 3.08 -1.11 0.11 114.38 117.32 2bwj h ARG 131 Ca 0.06 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2bwj h ARG 131 Cb 0.75 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 2bwj h ARG 131 CO 0.06 0.09 0.09 -0.07 -1.07 0.00 0.00 179.97 179.06 2bwj h LEU 132 N 0.13 0.81 -0.45 3.04 3.38 -0.84 -1.45 115.31 119.93 2bwj h LEU 132 Ca 0.15 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2bwj h LEU 132 Cb 0.19 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2bwj h LEU 132 CO -0.23 0.86 0.27 -0.07 0.09 0.00 0.00 178.44 179.36 2bwj h LEU 133 N 0.72 0.43 -1.58 1.67 3.38 -0.89 -2.00 115.31 117.04 2bwj h LEU 133 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2bwj h LEU 133 Cb 0.39 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2bwj h LEU 133 CO 0.01 0.31 0.10 1.56 0.09 0.00 0.00 178.44 180.50 2bwj h GLN 134 N 0.53 0.37 -0.01 1.13 4.20 -0.13 -1.71 115.11 119.50 2bwj h GLN 134 Ca 0.18 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2bwj h GLN 134 Cb 0.01 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2bwj h GLN 134 CO -0.08 0.32 -0.32 0.00 -0.67 0.00 0.00 178.83 178.08 2bwj n MET 135 N -4.42 0.79 -1.82 1.46 -0.00 -0.60 -4.93 117.12 107.59 2bwj n MET 135 Ca 0.01 -0.49 -0.41 0.00 -0.00 0.00 0.00 57.70 56.81 2bwj n MET 135 Cb 0.13 -1.49 -0.00 0.00 -0.00 0.00 0.00 33.22 31.86 2bwj n MET 135 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2bwj s SER 136 N -2.55 6.35 -0.02 3.17 0.15 -0.64 -4.93 113.70 115.22 2bwj s SER 136 Ca 0.22 3.02 0.03 0.00 0.70 0.00 0.00 55.95 59.92 2bwj s SER 136 Cb 0.19 -2.67 0.04 0.00 -1.71 0.00 0.00 66.02 61.88 2bwj s SER 136 CO 0.55 -0.87 1.02 0.54 1.20 0.00 0.00 173.24 175.68 2bwj n ARG 137 N 0.45 2.71 -1.72 5.44 5.12 -1.26 -5.04 116.66 122.36 2bwj n ARG 137 Ca 0.01 -1.65 -0.36 0.00 -1.93 0.00 0.00 57.85 53.92 2bwj n ARG 137 Cb 0.39 -1.07 0.07 0.00 -1.16 0.00 0.00 32.46 30.69 2bwj n ARG 137 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2bwj s SER 138 N -1.27 4.65 0.02 0.55 0.15 -1.26 -4.95 113.70 111.58 2bwj s SER 138 Ca 0.05 2.45 0.22 0.00 0.70 0.00 0.00 55.95 59.37 2bwj s SER 138 Cb 0.04 -2.60 -0.08 0.00 -1.71 0.00 0.00 66.02 61.67 2bwj s SER 138 CO 0.00 -1.97 0.91 -1.54 1.20 0.00 0.00 173.24 171.85 2bwj n SER 139 N -2.10 0.61 -4.80 5.45 3.41 -1.26 -5.02 113.62 109.91 2bwj n SER 139 Ca 0.14 -0.39 -0.31 0.00 -0.26 0.00 0.00 58.87 58.05 2bwj n SER 139 Cb 0.49 1.05 0.06 0.00 -0.26 0.00 0.00 64.21 65.55 2bwj n SER 139 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2bwj s LEU 140 N -3.75 3.14 0.48 1.04 1.43 -1.26 -4.97 118.68 114.80 2bwj s LEU 140 Ca 0.03 1.73 -0.20 0.00 -1.03 0.00 0.00 54.13 54.65 2bwj s LEU 140 Cb 0.15 -4.51 -0.11 0.00 0.03 0.00 0.00 46.19 41.74 2bwj s LEU 140 CO 0.84 -1.63 0.46 -2.65 0.23 0.00 0.00 176.35 173.59 2bwj n PRO 141 N -3.13 0.48 -0.17 1.29 -0.02 -1.26 -4.75 135.00 127.45 2bwj n PRO 141 Ca 0.08 0.18 -0.02 0.00 -2.02 0.00 0.00 63.50 61.72 2bwj n PRO 141 Cb 0.53 -1.51 0.05 0.00 -0.02 0.00 0.00 33.50 32.55 2bwj n PRO 141 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2bwj h VAL 142 N 0.51 0.50 -0.95 -1.45 -1.51 -1.99 -2.06 116.25 109.30 2bwj h VAL 142 Ca -0.42 -0.01 0.13 0.00 -1.23 0.00 0.00 66.70 65.17 2bwj h VAL 142 Cb 1.41 0.47 -0.09 0.00 -2.13 0.00 0.00 31.29 30.95 2bwj h VAL 142 CO 0.49 0.00 0.57 0.44 -1.23 0.00 0.00 177.57 177.84 2bwj h ASP 143 N 0.03 0.79 -0.55 4.19 3.32 -1.98 0.60 116.42 122.81 2bwj h ASP 143 Ca 0.26 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 2bwj h ASP 143 Cb 0.40 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2bwj h ASP 143 CO -0.52 0.38 0.13 0.44 -1.72 0.00 0.00 179.24 177.95 2bwj h ASP 144 N 0.85 0.83 -0.32 6.45 3.32 -1.80 -0.74 116.42 125.02 2bwj h ASP 144 Ca 0.49 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 2bwj h ASP 144 Cb 0.58 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2bwj h ASP 144 CO -0.30 0.86 -0.09 0.74 -1.72 0.00 0.00 179.24 178.73 2bwj h THR 145 N 0.78 1.28 -0.16 0.35 2.02 0.02 -2.94 112.91 114.25 2bwj h THR 145 Ca 0.17 -1.14 -0.20 0.00 0.77 0.00 0.00 66.41 66.02 2bwj h THR 145 Cb 0.35 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2bwj h THR 145 CO 0.00 0.37 -0.69 0.71 0.37 0.00 0.00 175.52 176.28 2bwj h THR 146 N 0.39 1.31 -0.75 3.16 1.35 0.05 -2.55 112.91 115.87 2bwj h THR 146 Ca 0.08 -1.95 0.07 0.00 -0.55 0.00 0.00 66.41 64.07 2bwj h THR 146 Cb 0.58 1.92 -0.06 0.00 -1.73 0.00 0.00 68.15 68.86 2bwj h THR 146 CO 0.03 0.61 0.42 0.11 -0.25 0.00 0.00 175.52 176.45 2bwj h LYS 147 N 0.47 0.73 -0.35 4.72 1.57 -1.16 -1.22 116.57 121.34 2bwj h LYS 147 Ca -0.03 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 2bwj h LYS 147 Cb 1.28 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 2bwj h LYS 147 CO 0.14 0.48 -0.26 1.15 -0.57 0.00 0.00 179.45 180.38 2bwj h THR 148 N 0.75 1.29 -0.69 -0.16 2.02 -1.42 -2.24 112.91 112.46 2bwj h THR 148 Ca 0.35 -1.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 2bwj h THR 148 Cb 0.25 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2bwj h THR 148 CO -0.21 0.47 0.37 0.40 0.37 0.00 0.00 175.52 176.92 2bwj h ILE 149 N 0.57 1.22 -0.79 3.11 2.04 -1.17 -2.00 117.51 120.49 2bwj h ILE 149 Ca 0.06 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.38 2bwj h ILE 149 Cb 0.83 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2bwj h ILE 149 CO 0.07 0.24 0.52 0.00 0.00 0.00 0.00 178.15 178.98 2bwj h ALA 150 N 1.19 1.00 -0.34 1.87 0.00 -1.03 -0.99 119.26 120.96 2bwj h ALA 150 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2bwj h ALA 150 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2bwj h ALA 150 CO -0.04 0.41 0.11 0.87 0.00 0.00 0.00 179.25 180.60 2bwj h LYS 151 N 1.06 0.48 -0.46 0.00 1.57 -1.03 0.13 116.57 118.33 2bwj h LYS 151 Ca 0.29 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 2bwj h LYS 151 Cb -0.12 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 2bwj h LYS 151 CO -0.07 0.42 -0.05 0.00 -0.57 0.00 0.00 179.45 179.19 2bwj h ARG 152 N 0.48 0.85 -0.41 3.15 3.08 -0.53 -1.77 114.38 119.24 2bwj h ARG 152 Ca 0.12 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 2bwj h ARG 152 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2bwj h ARG 152 CO -0.01 0.93 0.01 -0.07 -1.07 0.00 0.00 179.97 179.76 2bwj h LEU 153 N 0.69 0.69 -0.38 3.04 3.38 -0.65 -2.10 115.31 119.98 2bwj h LEU 153 Ca 0.12 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2bwj h LEU 153 Cb 0.58 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2bwj h LEU 153 CO 0.03 0.82 0.20 -0.33 0.09 0.00 0.00 178.44 179.25 2bwj h GLU 154 N 0.54 0.39 -0.88 1.13 5.08 -0.95 0.04 114.58 119.93 2bwj h GLU 154 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2bwj h GLU 154 Cb 0.46 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2bwj h GLU 154 CO 0.02 0.26 0.55 0.00 -1.00 0.00 0.00 179.01 178.84 2bwj h ALA 155 N 1.19 1.32 -0.45 3.43 0.00 -1.27 -1.36 119.26 122.12 2bwj h ALA 155 Ca 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2bwj h ALA 155 Cb 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2bwj h ALA 155 CO -0.10 0.61 0.19 -0.92 0.00 0.00 0.00 179.25 179.03 2bwj h TYR 156 N 1.21 0.67 -0.52 0.00 3.20 -0.55 -2.08 116.97 118.89 2bwj h TYR 156 Ca 0.32 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.05 2bwj h TYR 156 Cb -0.09 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 2bwj h TYR 156 CO 0.00 0.56 -0.04 1.88 -1.64 0.00 0.00 178.16 178.93 2bwj h TYR 157 N 0.58 1.00 -0.77 -3.82 0.05 -0.69 -0.19 116.97 113.13 2bwj h TYR 157 Ca 0.15 -0.17 0.02 0.00 0.05 0.00 0.00 58.73 58.79 2bwj h TYR 157 Cb 0.17 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.60 2bwj h TYR 157 CO -0.00 0.92 0.49 0.00 -1.05 0.00 0.00 178.16 178.52 2bwj h ARG 158 N 0.84 0.95 -0.18 4.88 3.08 -1.04 -2.47 114.38 120.43 2bwj h ARG 158 Ca 0.15 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.94 2bwj h ARG 158 Cb 0.55 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2bwj h ARG 158 CO 0.03 0.63 -0.70 0.00 -1.07 0.00 0.00 179.97 178.86 2bwj h ALA 159 N 1.31 0.42 0.11 0.04 0.00 -1.03 -3.39 119.26 116.71 2bwj h ALA 159 Ca 0.30 -0.58 -0.35 0.00 0.00 0.00 0.00 54.91 54.29 2bwj h ALA 159 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2bwj h ALA 159 CO -0.10 0.70 -1.90 0.66 0.00 0.00 0.00 179.25 178.61 2bwj h SER 160 N 0.53 0.36 0.21 0.00 4.64 -0.98 -3.37 113.55 114.94 2bwj h SER 160 Ca -0.03 -0.76 -0.01 0.00 -0.47 0.00 0.00 61.79 60.52 2bwj h SER 160 Cb 1.31 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2bwj h SER 160 CO 0.14 1.68 -0.10 0.40 -0.87 0.00 0.00 176.83 178.08 2bwj h ILE 161 N 0.06 0.82 -0.79 0.95 2.04 -1.64 -0.27 117.51 118.68 2bwj h ILE 161 Ca -0.38 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 2bwj h ILE 161 Cb 2.04 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 2bwj h ILE 161 CO 0.10 0.03 0.46 -0.65 0.00 0.00 0.00 178.15 178.08 2bwj h PRO 162 N -0.34 1.08 -0.17 2.37 0.11 -1.80 -2.13 132.00 131.13 2bwj h PRO 162 Ca -0.03 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 65.90 2bwj h PRO 162 Cb 0.26 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 2bwj h PRO 162 CO 0.05 0.77 -0.20 0.28 -0.21 0.00 0.00 178.00 178.68 2bwj h VAL 163 N 1.09 1.35 -0.39 3.15 2.07 -1.67 -0.59 116.25 121.27 2bwj h VAL 163 Ca 0.28 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.43 2bwj h VAL 163 Cb -0.01 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2bwj h VAL 163 CO -0.05 0.42 0.20 0.40 0.02 0.00 0.00 177.57 178.56 2bwj h ILE 164 N 0.07 0.99 -0.87 4.57 2.04 -1.03 -1.75 117.51 121.53 2bwj h ILE 164 Ca 0.02 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.78 2bwj h ILE 164 Cb 0.76 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 2bwj h ILE 164 CO 0.05 0.07 0.57 0.00 0.00 0.00 0.00 178.15 178.84 2bwj h ALA 165 N 1.20 1.47 -0.04 1.87 0.00 -1.27 -1.80 119.26 120.69 2bwj h ALA 165 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2bwj h ALA 165 Cb 0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2bwj h ALA 165 CO -0.11 0.44 0.01 -0.92 0.00 0.00 0.00 179.25 178.68 2bwj h TYR 166 N 1.07 0.06 0.00 0.00 3.20 -0.66 -3.19 116.97 117.45 2bwj h TYR 166 Ca 0.35 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 2bwj h TYR 166 Cb 0.04 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 2bwj h TYR 166 CO -0.00 0.22 -0.08 1.88 -1.64 0.00 0.00 178.16 178.53 2bwj h TYR 167 N -0.12 0.00 -0.79 -3.82 -1.99 -1.09 -2.93 116.97 106.23 2bwj h TYR 167 Ca 0.01 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.82 2bwj h TYR 167 Cb 0.19 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.86 2bwj h TYR 167 CO -0.01 0.08 0.52 0.93 -0.00 0.00 0.00 178.16 179.68 2bwj h GLU 168 N 0.00 0.77 0.05 4.88 5.08 -1.31 -0.63 114.58 123.42 2bwj h GLU 168 Ca -0.00 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.08 2bwj h GLU 168 Cb 0.90 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 2bwj h GLU 168 CO 0.01 0.51 -1.05 1.79 -1.00 0.00 0.00 179.01 179.27 2bwj h THR 169 N 0.79 1.51 0.08 1.13 1.35 -1.60 -3.40 112.91 112.77 2bwj h THR 169 Ca 0.35 -2.86 -0.37 0.00 -0.55 0.00 0.00 66.41 62.98 2bwj h THR 169 Cb 0.33 2.70 -0.03 0.00 -1.73 0.00 0.00 68.15 69.42 2bwj h THR 169 CO -0.13 0.84 -2.10 0.29 -0.25 0.00 0.00 175.52 174.16 2bwj n LYS 170 N -3.59 0.72 -2.18 4.72 4.76 -0.85 -5.06 118.16 116.68 2bwj n LYS 170 Ca -0.06 0.23 -0.03 0.00 -2.87 0.00 0.00 58.31 55.58 2bwj n LYS 170 Cb 0.91 -1.67 -0.01 0.00 -1.84 0.00 0.00 35.03 32.43 2bwj n LYS 170 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2bwj n THR 171 N -3.37 0.00 -2.44 -0.18 5.66 -0.30 -5.10 114.28 108.55 2bwj n THR 171 Ca -0.34 -0.35 -0.43 0.00 -3.05 0.00 0.00 64.05 59.88 2bwj n THR 171 Cb 1.04 0.19 -0.02 0.00 -1.55 0.00 0.00 70.33 69.99 2bwj n THR 171 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2bwj s GLN 172 N -2.18 3.90 -0.14 1.09 -1.52 -1.25 -4.66 119.66 114.90 2bwj s GLN 172 Ca 0.06 1.19 0.02 0.00 -1.95 0.00 0.00 55.36 54.68 2bwj s GLN 172 Cb 0.00 -3.88 0.01 0.00 -0.22 0.00 0.00 33.01 28.92 2bwj s GLN 172 CO 0.04 -1.14 -0.20 -1.17 -0.25 0.00 0.00 175.29 172.57 2bwj s LEU 173 N 4.39 2.01 -0.18 2.90 0.20 -1.26 -0.70 118.68 126.04 2bwj s LEU 173 Ca 0.55 -0.56 0.01 0.00 0.69 0.00 0.00 54.13 54.82 2bwj s LEU 173 Cb -0.16 -1.36 0.03 0.00 -0.43 0.00 0.00 46.19 44.28 2bwj s LEU 173 CO 0.23 0.06 -0.15 -1.00 -0.29 0.00 0.00 176.35 175.20 2bwj s HIS 174 N 0.90 2.49 -0.17 5.38 3.76 -0.25 -4.97 115.29 122.43 2bwj s HIS 174 Ca -0.06 -1.52 -0.25 0.00 -0.15 0.00 0.00 55.06 53.08 2bwj s HIS 174 Cb -0.15 -1.73 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 2bwj s HIS 174 CO -0.03 -0.75 0.81 0.15 -0.85 0.00 0.00 174.74 174.07 2bwj s LYS 175 N 1.38 4.28 -0.11 1.40 1.02 -1.26 -1.08 119.74 125.37 2bwj s LYS 175 Ca 0.02 0.97 -0.05 0.00 0.02 0.00 0.00 55.97 56.93 2bwj s LYS 175 Cb -0.14 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 2bwj s LYS 175 CO -0.10 -0.32 0.08 0.42 -0.92 0.00 0.00 175.35 174.51 2bwj s ILE 176 N 2.13 5.00 -0.78 2.17 1.09 0.19 -4.94 121.20 126.06 2bwj s ILE 176 Ca 0.37 0.02 -0.26 0.00 -1.10 0.00 0.00 60.65 59.68 2bwj s ILE 176 Cb -0.16 -3.16 0.03 0.00 -1.06 0.00 0.00 42.46 38.11 2bwj s ILE 176 CO 0.12 0.60 1.30 0.21 -0.10 0.00 0.00 174.94 177.07 2bwj s ASN 177 N -0.86 6.21 -0.00 3.58 3.84 -1.26 0.62 114.94 127.08 2bwj s ASN 177 Ca 0.13 -0.61 0.02 0.00 0.21 0.00 0.00 52.86 52.62 2bwj s ASN 177 Cb -0.12 -2.56 0.07 0.00 -0.55 0.00 0.00 41.25 38.09 2bwj s ASN 177 CO 0.03 -1.78 1.02 0.00 -2.79 0.00 0.00 177.10 173.58 2bwj n ALA 178 N 9.28 2.50 0.16 1.71 0.00 0.13 -3.40 120.51 130.89 2bwj n ALA 178 Ca 0.08 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.42 2bwj n ALA 178 Cb 0.49 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 19.08 2bwj n ALA 178 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2bwj h GLU 179 N 0.43 0.00 0.00 0.00 4.39 -1.89 -3.47 114.58 114.04 2bwj h GLU 179 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2bwj h GLU 179 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2bwj h GLU 179 CO 0.00 0.43 0.00 0.41 -1.16 0.00 0.00 179.01 178.69 2bwj n GLY 180 N 0.93 -2.42 3.82 -3.84 0.00 -1.22 -5.01 105.19 97.45 2bwj n GLY 180 Ca 0.01 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 2bwj n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bwj s THR 181 N -0.69 4.13 0.38 2.61 -4.23 -1.26 -4.83 115.64 111.75 2bwj s THR 181 Ca 0.00 0.92 0.10 0.00 -1.18 0.00 0.00 61.69 61.53 2bwj s THR 181 Cb 0.00 -3.52 0.32 0.00 1.34 0.00 0.00 72.50 70.64 2bwj s THR 181 CO 0.00 -0.69 1.91 -0.65 -0.54 0.00 0.00 174.62 174.65 2bwj h PRO 182 N 0.27 0.60 -0.20 3.99 0.11 -1.95 0.32 132.00 135.14 2bwj h PRO 182 Ca -0.46 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 2bwj h PRO 182 Cb 1.21 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.18 2bwj h PRO 182 CO 0.59 0.40 -0.68 1.05 -0.21 0.00 0.00 178.00 179.15 2bwj h GLU 183 N 0.62 0.79 -0.06 1.05 9.09 -1.99 -0.38 114.58 123.70 2bwj h GLU 183 Ca 0.39 -0.58 -0.18 0.00 0.05 0.00 0.00 59.36 59.03 2bwj h GLU 183 Cb 0.63 0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 27.83 2bwj h GLU 183 CO -0.15 1.20 -0.74 -0.44 0.05 0.00 0.00 179.01 178.93 2bwj h ASP 184 N 0.57 0.39 -0.75 3.06 3.45 -1.83 -2.14 116.42 119.17 2bwj h ASP 184 Ca -0.02 -0.26 -0.06 0.00 0.43 0.00 0.00 57.03 57.12 2bwj h ASP 184 Cb 1.30 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 39.92 2bwj h ASP 184 CO 0.14 1.00 0.25 0.58 -1.57 0.00 0.00 179.24 179.64 2bwj h VAL 185 N 0.22 1.26 -0.25 -1.35 2.07 -0.30 -2.05 116.25 115.85 2bwj h VAL 185 Ca -0.03 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2bwj h VAL 185 Cb 1.31 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2bwj h VAL 185 CO 0.12 0.35 0.09 0.15 0.02 0.00 0.00 177.57 178.30 2bwj h PHE 186 N 1.11 0.38 -0.19 1.57 3.57 -0.95 -0.69 116.94 121.75 2bwj h PHE 186 Ca 0.24 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.76 2bwj h PHE 186 Cb 0.28 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 2bwj h PHE 186 CO 0.02 0.41 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.31 2bwj h LEU 187 N 0.24 -0.43 -0.60 0.59 4.07 -1.28 0.48 115.31 118.39 2bwj h LEU 187 Ca 0.08 0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.22 2bwj h LEU 187 Cb 0.20 0.22 -0.07 0.00 1.08 0.00 0.00 40.66 42.09 2bwj h LEU 187 CO -0.01 -0.17 0.24 1.56 -1.08 0.00 0.00 178.44 178.98 2bwj h GLN 188 N -0.14 0.42 -0.80 1.13 4.20 -1.16 0.14 115.11 118.91 2bwj h GLN 188 Ca 0.11 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.83 2bwj h GLN 188 Cb 0.30 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 2bwj h GLN 188 CO -0.27 0.28 0.51 -0.07 -0.67 0.00 0.00 178.83 178.61 2bwj h LEU 189 N 0.44 0.84 -0.32 1.46 3.38 -0.55 -2.55 115.31 118.01 2bwj h LEU 189 Ca 0.30 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.13 2bwj h LEU 189 Cb 0.34 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2bwj h LEU 189 CO -0.28 0.58 -0.33 0.00 0.09 0.00 0.00 178.44 178.50 2bwj h THR 191 N 0.55 0.74 -0.21 0.00 2.02 -0.64 0.49 112.91 115.85 2bwj h THR 191 Ca 0.05 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 2bwj h THR 191 Cb 0.91 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2bwj h THR 191 CO 0.08 0.11 -0.25 0.00 0.37 0.00 0.00 175.52 175.83 2bwj h ALA 192 N 1.54 0.31 -0.50 6.16 0.00 -1.31 -2.65 119.26 122.81 2bwj h ALA 192 Ca 0.44 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2bwj h ALA 192 Cb 0.60 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2bwj h ALA 192 CO -0.35 0.29 -0.15 0.82 0.00 0.00 0.00 179.25 179.86 2bwj h ILE 193 N 0.22 1.27 0.00 0.00 2.04 -0.78 -2.29 117.51 117.97 2bwj h ILE 193 Ca 0.03 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 2bwj h ILE 193 Cb 0.82 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2bwj h ILE 193 CO 0.06 0.45 -0.17 0.44 0.00 0.00 0.00 178.15 178.93 2bwj h ASP 194 N 0.84 0.00 0.51 1.72 3.32 -0.07 -2.78 116.42 119.96 2bwj h ASP 194 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2bwj h ASP 194 Cb 0.70 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 2bwj h ASP 194 CO 0.05 0.17 -0.06 0.77 -1.72 0.00 0.00 179.24 178.45 2bwj h SER 195 N 0.00 0.00 -0.62 6.45 4.64 -1.03 -2.51 113.55 120.49 2bwj h SER 195 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bwj h SER 195 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2bwj h SER 195 CO 0.02 0.06 0.00 2.30 -0.87 0.00 0.00 176.83 178.34 2bwj n ILE 196 N -3.33 2.13 0.95 0.95 -6.64 -1.05 -5.12 119.36 107.25 2bwj n ILE 196 Ca -0.01 -1.28 0.11 0.00 -1.77 0.00 0.00 62.75 59.80 2bwj n ILE 196 Cb 0.23 0.00 0.10 0.00 -1.44 0.00 0.00 39.64 38.53 2bwj n ILE 196 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27