#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwg s LYS 3 N 0.00 4.07 -0.10 -1.08 3.01 -0.02 -4.93 119.74 120.69 3iwg s LYS 3 Ca 0.00 -0.29 -0.15 0.00 -1.01 0.00 0.00 55.97 54.53 3iwg s LYS 3 Cb 0.00 -3.31 -0.05 0.00 -1.01 0.00 0.00 37.83 33.46 3iwg s LYS 3 CO 0.00 0.28 0.36 0.42 0.51 0.00 0.00 175.35 176.93 3iwg s ILE 4 N 0.37 5.20 0.03 2.17 1.01 -1.26 -0.92 121.20 127.81 3iwg s ILE 4 Ca 0.05 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.45 3iwg s ILE 4 Cb -0.12 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 3iwg s ILE 4 CO -0.01 0.45 -0.09 -0.54 0.00 0.00 0.00 174.94 174.75 3iwg s LYS 5 N -0.09 0.63 0.53 2.79 1.02 -0.60 -4.89 119.74 119.13 3iwg s LYS 5 Ca 0.21 -0.63 -0.20 0.00 0.02 0.00 0.00 55.97 55.37 3iwg s LYS 5 Cb -0.15 -0.53 -0.07 0.00 -0.52 0.00 0.00 37.83 36.57 3iwg s LYS 5 CO 0.08 0.12 1.11 -0.08 -0.92 0.00 0.00 175.35 175.66 3iwg s THR 6 N -0.93 3.32 -0.15 2.17 -1.32 -1.26 -0.83 115.64 116.65 3iwg s THR 6 Ca -0.04 0.83 0.01 0.00 -1.21 0.00 0.00 61.69 61.28 3iwg s THR 6 Cb -0.08 -3.33 0.02 0.00 -1.51 0.00 0.00 72.50 67.60 3iwg s THR 6 CO 0.01 -0.17 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.44 3iwg s ILE 7 N -1.82 1.76 -0.14 5.08 1.01 -0.56 -4.74 121.20 121.80 3iwg s ILE 7 Ca 0.71 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 3iwg s ILE 7 Cb -0.22 -1.61 -0.25 0.00 0.01 0.00 0.00 42.46 40.39 3iwg s ILE 7 CO 0.25 0.49 0.37 -0.33 0.00 0.00 0.00 174.94 175.72 3iwg h GLU 8 N 7.81 0.20 -4.55 2.79 3.07 -1.96 -3.41 114.58 118.53 3iwg h GLU 8 Ca -0.38 -0.34 -0.71 0.00 -0.50 0.00 0.00 59.36 57.43 3iwg h GLU 8 Cb 1.15 0.13 -0.21 0.00 -0.84 0.00 0.00 28.75 28.98 3iwg h GLU 8 CO 0.56 1.16 -0.45 0.45 -1.40 0.00 0.00 179.01 179.33 3iwg s SER 9 N -7.01 6.04 0.41 1.42 0.15 -1.26 -4.93 113.70 108.52 3iwg s SER 9 Ca -0.23 -0.83 0.27 0.00 0.70 0.00 0.00 55.95 55.85 3iwg s SER 9 Cb 0.06 -2.13 1.46 0.00 -1.71 0.00 0.00 66.02 63.70 3iwg s SER 9 CO 0.73 -0.40 1.82 -0.07 1.20 0.00 0.00 173.24 176.51 3iwg h LEU 10 N 8.58 0.00 -1.15 3.45 4.07 -1.99 -1.56 115.31 126.71 3iwg h LEU 10 Ca -0.28 0.00 0.12 0.00 0.08 0.00 0.00 57.88 57.80 3iwg h LEU 10 Cb 1.12 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.79 3iwg h LEU 10 CO 0.70 0.00 0.60 0.77 -1.08 0.00 0.00 178.44 179.43 3iwg h SER 11 N 0.00 0.81 0.00 -0.43 4.64 -2.01 -1.32 113.55 115.24 3iwg h SER 11 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3iwg h SER 11 Cb 0.04 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3iwg h SER 11 CO 0.00 0.44 0.10 -0.78 -0.87 0.00 0.00 176.83 175.72 3iwg h ASP 12 N 0.88 0.00 -0.14 4.97 1.82 -1.71 -2.99 116.42 119.25 3iwg h ASP 12 Ca 0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 3iwg h ASP 12 Cb 0.53 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.54 3iwg h ASP 12 CO -0.22 0.00 0.00 0.18 -1.61 0.00 0.00 179.24 177.59 3iwg n LEU 13 N -2.64 2.31 -0.28 2.28 4.77 -0.50 -4.75 117.00 118.20 3iwg n LEU 13 Ca -0.02 -1.39 0.03 0.00 -0.03 0.00 0.00 56.01 54.60 3iwg n LEU 13 Cb 0.15 -0.09 0.11 0.00 -2.33 0.00 0.00 43.42 41.26 3iwg n LEU 13 CO 0.13 0.51 0.72 0.74 -1.33 0.00 0.00 177.39 178.16 3iwg h THR 14 N 2.12 0.22 -0.04 -5.08 2.02 -1.54 0.57 112.91 111.18 3iwg h THR 14 Ca 0.00 -0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3iwg h THR 14 Cb 0.57 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3iwg h THR 14 CO 0.00 0.00 -0.35 1.56 0.37 0.00 0.00 175.52 177.11 3iwg h GLN 15 N 0.01 0.31 -0.78 6.66 4.20 -1.86 -2.40 115.11 121.25 3iwg h GLN 15 Ca 0.39 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 3iwg h GLN 15 Cb 0.62 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 3iwg h GLN 15 CO -0.80 0.94 0.33 -0.07 -0.67 0.00 0.00 178.83 178.56 3iwg h LEU 16 N -0.23 1.06 -0.58 1.46 3.38 -1.72 -1.92 115.31 116.76 3iwg h LEU 16 Ca -0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3iwg h LEU 16 Cb 1.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3iwg h LEU 16 CO 0.07 0.93 0.23 0.11 0.09 0.00 0.00 178.44 179.87 3iwg h LYS 17 N 1.12 0.86 -0.65 1.13 1.57 0.06 -0.21 116.57 120.45 3iwg h LYS 17 Ca 0.26 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3iwg h LYS 17 Cb 0.19 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3iwg h LYS 17 CO -0.02 0.74 0.30 -0.22 -0.57 0.00 0.00 179.45 179.67 3iwg h LYS 18 N 0.79 0.92 -0.33 3.15 3.64 -1.16 -1.00 116.57 122.58 3iwg h LYS 18 Ca 0.19 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 3iwg h LYS 18 Cb 0.20 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3iwg h LYS 18 CO -0.02 0.72 -0.46 0.00 -2.27 0.00 0.00 179.45 177.43 3iwg h ALA 19 N 1.41 0.55 -0.32 5.00 0.00 -1.07 -0.35 119.26 124.48 3iwg h ALA 19 Ca 0.22 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3iwg h ALA 19 Cb 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 3iwg h ALA 19 CO -0.03 0.68 -0.15 -0.92 0.00 0.00 0.00 179.25 178.83 3iwg h TYR 20 N 0.70 -0.38 -0.34 0.00 3.20 -0.32 -1.36 116.97 118.47 3iwg h TYR 20 Ca 0.04 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 3iwg h TYR 20 Cb 1.05 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.53 3iwg h TYR 20 CO 0.06 -0.23 -0.20 0.74 -1.64 0.00 0.00 178.16 176.90 3iwg h PHE 21 N -0.10 0.85 -0.88 -3.82 0.04 -1.10 -2.63 116.94 109.29 3iwg h PHE 21 Ca 0.16 -0.22 0.15 0.00 2.80 0.00 0.00 57.97 60.86 3iwg h PHE 21 Cb 0.35 -0.19 -0.07 0.00 2.20 0.00 0.00 35.95 38.24 3iwg h PHE 21 CO -0.36 0.95 0.57 -0.44 -0.60 0.00 0.00 178.31 178.43 3iwg h ASP 22 N 0.51 0.61 0.85 2.17 3.32 -0.81 -1.56 116.42 121.51 3iwg h ASP 22 Ca 0.07 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3iwg h ASP 22 Cb 0.75 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 3iwg h ASP 22 CO 0.06 0.30 -0.10 0.77 -1.72 0.00 0.00 179.24 178.55 3iwg h SER 23 N 0.64 0.00 -3.98 6.45 4.64 -0.87 -3.45 113.55 116.99 3iwg h SER 23 Ca 0.45 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.23 3iwg h SER 23 Cb 0.78 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.97 3iwg h SER 23 CO -0.20 0.10 0.68 -0.94 -0.87 0.00 0.00 176.83 175.60 3iwg s SER 24 N -5.92 6.01 0.11 4.97 1.04 -0.59 -4.87 113.70 114.46 3iwg s SER 24 Ca 0.00 2.85 -0.11 0.00 0.48 0.00 0.00 55.95 59.17 3iwg s SER 24 Cb 0.10 -2.65 -0.14 0.00 0.10 0.00 0.00 66.02 63.43 3iwg s SER 24 CO 0.58 -1.07 1.30 0.40 0.98 0.00 0.00 173.24 175.42 3iwg h ILE 25 N 2.37 1.29 -2.73 -1.02 1.08 -1.68 -3.44 117.51 113.37 3iwg h ILE 25 Ca -0.50 -2.05 -0.48 0.00 -0.39 0.00 0.00 64.86 61.43 3iwg h ILE 25 Cb 1.26 2.08 -0.14 0.00 -3.07 0.00 0.00 36.82 36.95 3iwg h ILE 25 CO 0.62 0.64 -0.66 0.68 -0.69 0.00 0.00 178.15 178.74 3iwg s VAL 26 N -3.65 1.49 0.33 1.67 -7.23 -1.26 -5.12 120.40 106.64 3iwg s VAL 26 Ca -0.09 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 57.70 3iwg s VAL 26 Cb 0.09 -2.52 -0.12 0.00 0.56 0.00 0.00 36.38 34.39 3iwg s VAL 26 CO 0.90 -0.24 1.40 -0.81 -0.31 0.00 0.00 175.10 176.04 3iwg n PRO 27 N -0.59 2.35 -2.57 4.82 -0.04 -1.26 -4.99 135.00 132.71 3iwg n PRO 27 Ca -0.05 0.83 -0.27 0.00 -0.04 0.00 0.00 63.50 63.97 3iwg n PRO 27 Cb 0.64 -2.49 0.01 0.00 -0.04 0.00 0.00 33.50 31.63 3iwg n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iwg s LEU 28 N -1.07 3.48 -0.02 1.53 1.43 -1.26 -5.01 118.68 117.76 3iwg s LEU 28 Ca 0.58 0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 54.17 3iwg s LEU 28 Cb -0.54 -3.69 -0.07 0.00 0.03 0.00 0.00 46.19 41.92 3iwg s LEU 28 CO 0.59 -0.78 1.80 -0.62 0.23 0.00 0.00 176.35 177.57 3iwg s ASP 29 N -4.19 6.56 0.00 2.29 2.15 -1.26 -4.92 116.67 117.30 3iwg s ASP 29 Ca 0.50 2.42 0.00 0.00 0.43 0.00 0.00 52.55 55.90 3iwg s ASP 29 Cb -0.10 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 3iwg s ASP 29 CO 0.44 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 3iwg n GLY 30 N 4.33 0.00 0.26 2.66 0.00 -1.26 -0.84 105.19 110.34 3iwg n GLY 30 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3iwg n GLY 30 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3iwg n TRP 32 N 0.17 0.00 -0.01 1.61 7.02 -1.26 -0.61 117.44 124.36 3iwg n TRP 32 Ca 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.54 3iwg n TRP 32 Cb 0.00 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.75 3iwg n TRP 32 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3iwg n HIS 33 N 0.00 0.23 0.34 -5.99 8.25 -0.02 -0.98 115.22 117.06 3iwg n HIS 33 Ca 0.00 0.07 0.04 0.00 -0.26 0.00 0.00 57.72 57.57 3iwg n HIS 33 Cb 0.00 -0.71 -0.01 0.00 1.12 0.00 0.00 29.99 30.39 3iwg n HIS 33 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3iwg n PHE 34 N -2.46 0.00 -0.00 4.41 3.72 0.22 -4.33 117.46 119.02 3iwg n PHE 34 Ca -0.09 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3iwg n PHE 34 Cb 0.70 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.24 3iwg n PHE 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iwg n GLY 35 N 0.91 -0.40 0.09 1.37 0.00 -1.03 -4.76 105.19 101.37 3iwg n GLY 35 Ca 0.03 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3iwg n GLY 35 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3iwg h PHE 36 N -0.01 -0.10 -0.58 1.61 0.04 -1.83 -3.36 116.94 112.71 3iwg h PHE 36 Ca 0.00 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.85 3iwg h PHE 36 Cb 0.01 0.03 -0.07 0.00 2.20 0.00 0.00 35.95 38.13 3iwg h PHE 36 CO -0.01 0.35 0.22 0.00 -0.60 0.00 0.00 178.31 178.27 3iwg h ALA 37 N 0.25 0.74 0.00 2.45 0.00 -1.25 -2.86 119.26 118.58 3iwg h ALA 37 Ca -0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iwg h ALA 37 Cb 0.50 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3iwg h ALA 37 CO 0.02 -0.19 0.02 -2.30 0.00 0.00 0.00 179.25 176.80 3iwg n PRO 38 N -4.99 0.29 -0.59 0.00 -0.02 -1.26 -4.75 135.00 123.68 3iwg n PRO 38 Ca 0.08 -0.02 0.02 0.00 -2.02 0.00 0.00 63.50 61.55 3iwg n PRO 38 Cb 0.25 -1.39 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 3iwg n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iwg n ALA 40 N 1.95 -1.62 -1.93 3.55 0.00 -1.08 -5.06 120.51 116.32 3iwg n ALA 40 Ca 0.01 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 3iwg n ALA 40 Cb 0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 3iwg n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3iwg s LYS 41 N -4.19 4.62 -0.02 0.00 1.02 -0.44 -4.82 119.74 115.91 3iwg s LYS 41 Ca 0.00 1.75 0.05 0.00 0.02 0.00 0.00 55.97 57.79 3iwg s LYS 41 Cb 0.00 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 3iwg s LYS 41 CO 0.00 0.14 -0.17 -1.01 -0.92 0.00 0.00 175.35 173.39 3iwg s HIS 42 N -0.62 2.62 0.08 3.18 3.76 -1.26 -0.64 115.29 122.40 3iwg s HIS 42 Ca 0.47 -0.22 0.06 0.00 -0.15 0.00 0.00 55.06 55.22 3iwg s HIS 42 Cb -0.30 -1.56 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 3iwg s HIS 42 CO 0.37 0.18 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.22 3iwg s PHE 43 N -0.78 1.39 0.15 1.40 0.08 0.30 -1.49 117.98 119.02 3iwg s PHE 43 Ca 0.12 -0.44 0.08 0.00 0.12 0.00 0.00 56.93 56.82 3iwg s PHE 43 Cb -0.11 -0.78 -0.04 0.00 -0.57 0.00 0.00 43.02 41.53 3iwg s PHE 43 CO 0.02 0.10 -0.09 0.20 -0.10 0.00 0.00 175.22 175.35 3iwg s GLY 44 N -1.72 1.75 -0.18 4.36 0.00 -0.01 -0.89 107.32 110.63 3iwg s GLY 44 Ca 0.01 -1.37 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 3iwg s GLY 44 CO 0.03 -1.38 -0.11 -1.36 0.00 0.00 0.00 173.10 170.28 3iwg s PHE 45 N -1.52 2.87 -0.19 1.90 0.08 0.36 -1.55 117.98 119.92 3iwg s PHE 45 Ca 0.24 -0.97 0.01 0.00 0.12 0.00 0.00 56.93 56.32 3iwg s PHE 45 Cb -0.10 -1.97 0.03 0.00 -0.57 0.00 0.00 43.02 40.41 3iwg s PHE 45 CO 0.15 -0.48 -0.14 0.71 -0.10 0.00 0.00 175.22 175.36 3iwg s TYR 46 N 1.03 2.58 -0.36 0.36 1.51 -0.10 -1.10 117.35 121.27 3iwg s TYR 46 Ca -0.01 -1.61 -0.14 0.00 -1.01 0.00 0.00 57.07 54.31 3iwg s TYR 46 Cb -0.15 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 39.94 3iwg s TYR 46 CO -0.02 -0.76 0.26 0.08 -1.11 0.00 0.00 175.55 174.00 3iwg s VAL 47 N 1.35 5.27 -1.59 0.71 1.01 -0.84 -0.84 120.40 125.47 3iwg s VAL 47 Ca 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 3iwg s VAL 47 Cb -0.15 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3iwg s VAL 47 CO -0.10 -0.09 0.11 -3.20 0.00 0.00 0.00 175.10 171.82 3iwg n ASN 48 N 5.14 -5.47 -0.20 3.32 4.05 -1.26 0.18 115.26 121.02 3iwg n ASN 48 Ca -0.12 -0.03 -0.03 0.00 0.45 0.00 0.00 54.58 54.86 3iwg n ASN 48 Cb 0.49 -4.54 -0.01 0.00 1.23 0.00 0.00 39.78 36.95 3iwg n ASN 48 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 3iwg n LYS 49 N -3.16 -0.34 -4.18 1.20 4.81 -1.26 -5.04 118.16 110.19 3iwg n LYS 49 Ca -0.20 0.44 -0.34 0.00 -0.87 0.00 0.00 58.31 57.34 3iwg n LYS 49 Cb 0.66 -3.98 -0.11 0.00 0.02 0.00 0.00 35.03 31.62 3iwg n LYS 49 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3iwg s ASN 50 N -2.59 5.28 -0.63 3.14 3.04 0.13 -5.08 114.94 118.23 3iwg s ASN 50 Ca 0.00 0.00 -0.27 0.00 0.04 0.00 0.00 52.86 52.63 3iwg s ASN 50 Cb 0.00 -1.88 -0.01 0.00 -1.54 0.00 0.00 41.25 37.82 3iwg s ASN 50 CO 0.00 0.18 1.72 -0.22 -3.04 0.00 0.00 177.10 175.74 3iwg s LEU 51 N 0.32 3.27 0.00 3.21 2.96 -1.26 -1.99 118.68 125.18 3iwg s LEU 51 Ca 0.00 0.19 0.10 0.00 -0.22 0.00 0.00 54.13 54.21 3iwg s LEU 51 Cb -0.13 -2.58 0.16 0.00 0.50 0.00 0.00 46.19 44.14 3iwg s LEU 51 CO 0.01 -2.23 0.99 1.33 -1.32 0.00 0.00 176.35 175.13 3iwg n VAL 52 N 7.03 0.37 -3.91 1.68 0.24 -0.26 -5.01 118.33 118.47 3iwg n VAL 52 Ca 0.17 -0.68 0.02 0.00 -2.04 0.00 0.00 64.34 61.80 3iwg n VAL 52 Cb 0.51 0.96 0.01 0.00 -1.47 0.00 0.00 33.84 33.85 3iwg n VAL 52 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3iwg s GLY 53 N -0.93 -0.14 0.24 7.63 0.00 -1.17 -0.49 107.32 112.46 3iwg s GLY 53 Ca 0.16 0.10 -0.21 0.00 0.00 0.00 0.00 44.72 44.77 3iwg s GLY 53 CO 0.14 4.25 0.65 -0.11 0.00 0.00 0.00 173.10 178.03 3iwg s PHE 54 N -2.11 -0.23 0.20 1.90 -0.71 0.28 -0.49 117.98 116.81 3iwg s PHE 54 Ca 0.26 -0.15 -0.08 0.00 -1.04 0.00 0.00 56.93 55.92 3iwg s PHE 54 Cb 0.00 0.60 -0.02 0.00 -1.21 0.00 0.00 43.02 42.40 3iwg s PHE 54 CO -0.00 -1.09 0.31 0.00 -1.34 0.00 0.00 175.22 173.09 3iwg s VAL 57 N -0.13 1.88 1.09 0.00 1.01 0.19 -0.87 120.40 123.56 3iwg s VAL 57 Ca 0.01 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 3iwg s VAL 57 Cb -0.02 -1.67 0.26 0.00 0.00 0.00 0.00 36.38 34.96 3iwg s VAL 57 CO -0.00 0.52 1.16 -0.46 0.00 0.00 0.00 175.10 176.32 3iwg n ASN 58 N 4.03 -1.12 0.24 3.32 0.23 -0.04 -1.32 115.26 120.59 3iwg n ASN 58 Ca -0.20 -1.29 0.08 0.00 -0.53 0.00 0.00 54.58 52.65 3iwg n ASN 58 Cb 0.52 -0.98 0.61 0.00 -2.08 0.00 0.00 39.78 37.84 3iwg n ASN 58 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3iwg h ASP 59 N -2.25 0.00 0.46 0.53 3.32 -1.99 -2.04 116.42 114.45 3iwg h ASP 59 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3iwg h ASP 59 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3iwg h ASP 59 CO 0.28 0.15 -0.07 0.47 -1.72 0.00 0.00 179.24 178.34 3iwg n ASP 60 N -4.09 0.25 0.00 6.45 8.00 -1.26 -4.91 116.55 120.99 3iwg n ASP 60 Ca -0.02 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.12 3iwg n ASP 60 Cb 0.23 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3iwg n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iwg n GLY 61 N 1.29 1.02 3.35 0.44 0.00 -0.77 -4.78 105.19 105.75 3iwg n GLY 61 Ca 0.14 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3iwg n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iwg s TYR 62 N -2.00 2.83 0.49 1.61 1.51 -1.26 -0.47 117.35 120.06 3iwg s TYR 62 Ca 0.00 -0.73 -0.24 0.00 -1.01 0.00 0.00 57.07 55.10 3iwg s TYR 62 Cb 0.00 -1.88 -0.07 0.00 -0.11 0.00 0.00 41.96 39.90 3iwg s TYR 62 CO 0.00 -0.28 1.33 1.28 -1.11 0.00 0.00 175.55 176.77 3iwg n LEU 63 N 3.74 4.88 0.00 -1.29 4.32 -0.10 -0.86 117.00 127.69 3iwg n LEU 63 Ca -0.18 1.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.85 3iwg n LEU 63 Cb 0.52 -1.55 0.00 0.00 -1.62 0.00 0.00 43.42 40.77 3iwg n LEU 63 CO 0.30 -0.57 -0.48 0.18 -1.22 0.00 0.00 177.39 175.61 3iwg n LEU 64 N -0.43 0.65 -3.82 2.23 4.77 -0.05 -0.71 117.00 119.65 3iwg n LEU 64 Ca 0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 3iwg n LEU 64 Cb 0.42 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 3iwg n LEU 64 CO 0.56 0.11 -0.11 -1.10 -1.33 0.00 0.00 177.39 175.52 3iwg s GLN 65 N -1.95 0.43 -0.17 3.23 -0.21 -1.24 -4.79 119.66 114.96 3iwg s GLN 65 Ca 0.00 -0.07 -0.13 0.00 0.02 0.00 0.00 55.36 55.18 3iwg s GLN 65 Cb 0.00 0.19 0.05 0.00 1.00 0.00 0.00 33.01 34.25 3iwg s GLN 65 CO 0.00 -0.10 0.45 -0.47 -2.12 0.00 0.00 175.29 173.05 3iwg s TYR 66 N -0.77 -0.56 -0.26 0.91 6.14 -1.26 -1.66 117.35 119.89 3iwg s TYR 66 Ca -0.09 1.28 -0.16 0.00 0.64 0.00 0.00 57.07 58.75 3iwg s TYR 66 Cb -0.05 0.23 0.07 0.00 0.42 0.00 0.00 41.96 42.64 3iwg s TYR 66 CO 0.02 -0.29 0.65 -0.47 0.64 0.00 0.00 175.55 176.09 3iwg s TYR 67 N 0.75 -0.95 -0.01 4.97 5.04 -0.18 -4.70 117.35 122.27 3iwg s TYR 67 Ca -0.04 1.96 0.07 0.00 -2.44 0.00 0.00 57.07 56.62 3iwg s TYR 67 Cb -0.05 0.53 -0.02 0.00 0.35 0.00 0.00 41.96 42.77 3iwg s TYR 67 CO -0.06 -0.48 -0.21 -0.51 -1.34 0.00 0.00 175.55 172.96 3iwg s LEU 68 N 1.42 2.05 0.31 6.97 1.43 -1.26 -0.56 118.68 129.04 3iwg s LEU 68 Ca -0.08 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.37 3iwg s LEU 68 Cb -0.05 -1.07 -0.14 0.00 0.03 0.00 0.00 46.19 44.95 3iwg s LEU 68 CO -0.16 0.25 0.69 0.00 0.23 0.00 0.00 176.35 177.37 3iwg n GLN 69 N 2.50 0.69 0.30 1.70 6.02 0.36 -4.75 117.38 124.20 3iwg n GLN 69 Ca -0.15 0.24 0.16 0.00 -0.01 0.00 0.00 57.00 57.24 3iwg n GLN 69 Cb 0.53 -1.48 0.91 0.00 1.02 0.00 0.00 30.24 31.22 3iwg n GLN 69 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3iwg h PRO 70 N 1.27 0.00 -0.08 -1.09 0.13 -2.00 -2.31 132.00 127.92 3iwg h PRO 70 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3iwg h PRO 70 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3iwg h PRO 70 CO 0.56 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.51 3iwg n GLU 71 N -3.67 1.11 -0.82 0.86 0.00 -1.26 -3.81 120.64 113.04 3iwg n GLU 71 Ca -0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 57.16 56.92 3iwg n GLU 71 Cb 0.12 -1.05 0.20 0.00 0.00 0.00 0.00 31.44 30.71 3iwg n GLU 71 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3iwg n PHE 72 N -0.35 1.19 0.00 -1.84 3.01 -0.87 -4.83 117.46 113.77 3iwg n PHE 72 Ca 0.02 -1.60 0.00 0.00 1.01 0.00 0.00 57.45 56.88 3iwg n PHE 72 Cb 0.05 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 3iwg n PHE 72 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3iwg n GLN 73 N -1.10 0.00 -0.06 -1.08 -0.06 -1.25 0.48 117.38 114.31 3iwg n GLN 73 Ca 0.34 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 55.20 3iwg n GLN 73 Cb 1.07 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 27.12 3iwg n GLN 73 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 3iwg h LEU 74 N 0.00 0.03 -1.74 1.69 3.38 -1.96 -2.71 115.31 114.01 3iwg h LEU 74 Ca 0.00 -0.94 0.07 0.00 0.09 0.00 0.00 57.88 57.09 3iwg h LEU 74 Cb 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3iwg h LEU 74 CO 0.00 0.98 0.30 0.00 0.09 0.00 0.00 178.44 179.80 3iwg h SER 76 N 0.32 0.89 -0.27 0.00 0.87 0.34 0.28 113.55 115.98 3iwg h SER 76 Ca 0.19 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 3iwg h SER 76 Cb 0.37 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3iwg h SER 76 CO -0.04 0.68 -0.07 1.56 -0.53 0.00 0.00 176.83 178.43 3iwg h GLN 77 N 1.02 0.53 -0.21 2.24 4.20 -1.25 0.22 115.11 121.85 3iwg h GLN 77 Ca 0.27 -0.21 0.04 0.00 0.06 0.00 0.00 58.65 58.82 3iwg h GLN 77 Cb -0.05 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 3iwg h GLN 77 CO -0.05 0.74 -0.05 0.93 -0.67 0.00 0.00 178.83 179.73 3iwg h GLU 78 N 0.28 0.00 0.70 1.46 5.08 -0.99 -1.72 114.58 119.39 3iwg h GLU 78 Ca 0.07 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3iwg h GLU 78 Cb 0.55 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3iwg h GLU 78 CO 0.03 0.00 -0.48 1.25 -1.00 0.00 0.00 179.01 178.81 3iwg h LEU 79 N 0.00 -1.25 -0.70 1.33 5.85 -0.26 -1.54 115.31 118.74 3iwg h LEU 79 Ca 0.10 0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.01 3iwg h LEU 79 Cb 0.16 0.38 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 3iwg h LEU 79 CO -0.22 -0.71 0.31 0.15 -0.34 0.00 0.00 178.44 177.63 3iwg h PHE 80 N -1.13 0.55 -0.07 1.25 3.04 -0.93 -0.42 116.94 119.22 3iwg h PHE 80 Ca -0.09 0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.91 3iwg h PHE 80 Cb 0.92 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.27 3iwg h PHE 80 CO -0.14 0.15 -0.05 1.15 -2.02 0.00 0.00 178.31 177.40 3iwg h THR 81 N 0.51 0.85 -0.46 4.41 2.02 -1.20 0.42 112.91 119.45 3iwg h THR 81 Ca 0.36 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.63 3iwg h THR 81 Cb 0.46 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.64 3iwg h THR 81 CO -0.32 0.00 0.03 0.25 0.37 0.00 0.00 175.52 175.85 3iwg h LEU 82 N -0.06 -0.12 -0.26 2.58 5.85 -0.47 0.22 115.31 123.06 3iwg h LEU 82 Ca 0.05 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3iwg h LEU 82 Cb 0.12 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3iwg h LEU 82 CO -0.11 -0.03 -0.05 0.40 -0.34 0.00 0.00 178.44 178.31 3iwg h ILE 83 N 0.15 1.28 -0.08 4.05 2.04 -0.79 -1.40 117.51 122.76 3iwg h ILE 83 Ca 0.23 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 3iwg h ILE 83 Cb 0.33 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3iwg h ILE 83 CO -0.35 0.33 -0.33 0.77 0.00 0.00 0.00 178.15 178.56 3iwg h SER 84 N 0.24 0.15 -0.50 1.72 4.64 0.18 -2.63 113.55 117.35 3iwg h SER 84 Ca 0.07 -0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.14 3iwg h SER 84 Cb 0.51 -0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 62.44 3iwg h SER 84 CO 0.02 0.47 0.25 0.00 -0.87 0.00 0.00 176.83 176.71 3iwg n GLN 85 N -4.11 2.26 -2.02 4.77 3.00 0.75 -4.71 117.38 117.32 3iwg n GLN 85 Ca -0.01 -1.78 -0.20 0.00 -0.01 0.00 0.00 57.00 55.00 3iwg n GLN 85 Cb 0.40 -1.78 -0.04 0.00 0.00 0.00 0.00 30.24 28.82 3iwg n GLN 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3iwg n GLN 86 N -0.18 -1.61 -0.23 -1.09 6.02 -0.99 -4.85 117.38 114.45 3iwg n GLN 86 Ca 0.29 1.05 0.11 0.00 -0.01 0.00 0.00 57.00 58.43 3iwg n GLN 86 Cb 1.06 -5.57 0.27 0.00 1.02 0.00 0.00 30.24 27.01 3iwg n GLN 86 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3iwg n ASN 87 N -1.64 3.06 -4.59 1.08 5.03 -0.54 -4.76 115.26 112.89 3iwg n ASN 87 Ca -0.22 -1.95 -0.43 0.00 0.87 0.00 0.00 54.58 52.85 3iwg n ASN 87 Cb 0.66 -0.30 -0.04 0.00 -1.02 0.00 0.00 39.78 39.08 3iwg n ASN 87 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3iwg s SER 88 N -1.26 6.60 0.17 6.41 0.15 -1.24 -4.92 113.70 119.62 3iwg s SER 88 Ca 0.38 0.36 -0.19 0.00 0.70 0.00 0.00 55.95 57.21 3iwg s SER 88 Cb 0.21 -2.48 0.11 0.00 -1.71 0.00 0.00 66.02 62.16 3iwg s SER 88 CO 0.29 -1.02 1.63 0.28 1.20 0.00 0.00 173.24 175.62 3iwg h SER 89 N 8.87 -0.68 0.04 5.45 0.02 -1.92 -0.10 113.55 125.22 3iwg h SER 89 Ca -0.23 0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 3iwg h SER 89 Cb 1.07 0.37 0.01 0.00 0.14 0.00 0.00 62.40 63.99 3iwg h SER 89 CO 1.03 -0.23 -0.27 1.62 -1.14 0.00 0.00 176.83 177.84 3iwg h VAL 90 N -0.11 1.66 -0.17 2.27 3.04 -1.91 -3.30 116.25 117.73 3iwg h VAL 90 Ca 0.21 -2.30 -0.17 0.00 -1.01 0.00 0.00 66.70 63.43 3iwg h VAL 90 Cb 0.43 3.20 -0.00 0.00 -2.01 0.00 0.00 31.29 32.91 3iwg h VAL 90 CO -0.50 0.62 -0.59 0.40 -1.01 0.00 0.00 177.57 176.49 3iwg h ILE 91 N -0.72 1.33 0.00 3.17 2.04 -1.94 -3.49 117.51 117.90 3iwg h ILE 91 Ca -0.05 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 63.96 3iwg h ILE 91 Cb 1.17 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 3iwg h ILE 91 CO 0.05 0.58 0.00 0.61 0.00 0.00 0.00 178.15 179.39 3iwg n GLY 92 N 0.33 -1.41 3.62 5.37 0.00 -0.05 -4.80 105.19 108.25 3iwg n GLY 92 Ca -0.04 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 3iwg n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iwg s GLU 93 N 0.00 3.79 -0.15 1.61 2.12 -1.26 -4.64 118.70 120.16 3iwg s GLU 93 Ca 0.00 1.16 -0.04 0.00 0.36 0.00 0.00 54.97 56.45 3iwg s GLU 93 Cb 0.00 -3.94 -0.03 0.00 0.26 0.00 0.00 34.13 30.42 3iwg s GLU 93 CO 0.00 -1.28 -0.01 0.08 -0.54 0.00 0.00 175.26 173.51 3iwg s VAL 94 N 4.77 4.15 -0.14 3.70 1.01 -1.26 -4.87 120.40 127.75 3iwg s VAL 94 Ca 0.59 -0.27 0.17 0.00 0.00 0.00 0.00 61.98 62.47 3iwg s VAL 94 Cb -0.16 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 3iwg s VAL 94 CO 0.27 0.50 0.93 0.11 0.00 0.00 0.00 175.10 176.90 3iwg h LYS 95 N 6.54 0.00 0.00 2.72 1.57 -1.08 -3.45 116.57 122.87 3iwg h LYS 95 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3iwg h LYS 95 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3iwg h LYS 95 CO 0.64 0.27 0.00 0.41 -0.57 0.00 0.00 179.45 180.20 3iwg n GLY 96 N 1.34 -1.01 3.19 3.86 0.00 -1.20 -1.19 105.19 110.19 3iwg n GLY 96 Ca -0.07 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 3iwg n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwg s ALA 97 N -1.00 -0.57 -0.10 4.61 0.00 -0.29 -0.93 121.76 123.48 3iwg s ALA 97 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 3iwg s ALA 97 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 3iwg s ALA 97 CO 0.00 -0.26 -0.06 -0.06 0.00 0.00 0.00 175.76 175.37 3iwg s PHE 98 N -1.57 2.96 -0.19 0.00 0.08 0.12 -0.24 117.98 119.13 3iwg s PHE 98 Ca -0.12 -0.12 -0.27 0.00 0.12 0.00 0.00 56.93 56.53 3iwg s PHE 98 Cb -0.05 -1.79 0.08 0.00 -0.57 0.00 0.00 43.02 40.69 3iwg s PHE 98 CO 0.02 0.19 0.76 0.54 -0.10 0.00 0.00 175.22 176.63 3iwg s VAL 99 N -0.40 0.00 0.29 -0.44 0.11 -0.95 -4.33 120.40 114.69 3iwg s VAL 99 Ca 0.06 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.17 3iwg s VAL 99 Cb -0.12 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.71 3iwg s VAL 99 CO 0.02 0.00 0.39 -0.94 -3.33 0.00 0.00 175.10 171.24 3iwg s SER 100 N -0.29 6.05 0.00 3.54 1.04 -1.26 -0.95 113.70 121.83 3iwg s SER 100 Ca -0.04 -0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.35 3iwg s SER 100 Cb -0.03 -1.50 0.33 0.00 0.10 0.00 0.00 66.02 64.92 3iwg s SER 100 CO 0.03 -0.24 0.85 0.35 0.98 0.00 0.00 173.24 175.21 3iwg n THR 101 N -1.49 0.17 0.82 2.02 -2.24 -0.78 -1.53 114.28 111.25 3iwg n THR 101 Ca -0.05 0.04 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 3iwg n THR 101 Cb 0.58 -0.95 0.01 0.00 -2.10 0.00 0.00 70.33 67.87 3iwg n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iwg n ALA 102 N -1.05 3.15 -3.64 6.98 0.00 -1.26 -4.71 120.51 119.98 3iwg n ALA 102 Ca 0.04 -0.59 -0.39 0.00 0.00 0.00 0.00 53.44 52.50 3iwg n ALA 102 Cb 0.02 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 3iwg n ALA 102 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3iwg s GLU 103 N -2.02 2.77 -0.01 0.00 2.02 -0.58 -1.80 118.70 119.09 3iwg s GLU 103 Ca 0.17 -2.51 -0.24 0.00 0.02 0.00 0.00 54.97 52.40 3iwg s GLU 103 Cb 0.15 -3.87 -0.19 0.00 0.10 0.00 0.00 34.13 30.32 3iwg s GLU 103 CO 0.42 -1.20 1.26 -0.07 0.02 0.00 0.00 175.26 175.70 3iwg h LEU 104 N 7.19 0.11 -0.68 1.80 3.38 -1.84 0.12 115.31 125.39 3iwg h LEU 104 Ca 0.01 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 3iwg h LEU 104 Cb 0.97 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 3iwg h LEU 104 CO 0.72 0.60 0.26 0.78 0.09 0.00 0.00 178.44 180.90 3iwg h ASN 105 N -0.38 0.95 -0.17 -0.43 -0.26 -1.97 -0.25 115.58 113.08 3iwg h ASN 105 Ca 0.00 -0.18 -0.17 0.00 -0.56 0.00 0.00 56.30 55.40 3iwg h ASN 105 Cb 0.58 -0.25 0.01 0.00 -1.06 0.00 0.00 38.32 37.59 3iwg h ASN 105 CO 0.01 0.87 -0.54 0.22 -1.06 0.00 0.00 177.43 176.93 3iwg h TYR 106 N 0.98 0.87 -0.64 1.19 3.20 -1.80 -3.01 116.97 117.75 3iwg h TYR 106 Ca 0.23 -0.35 0.03 0.00 3.14 0.00 0.00 58.73 61.78 3iwg h TYR 106 Cb 0.23 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 3iwg h TYR 106 CO 0.02 1.15 0.39 0.37 -1.64 0.00 0.00 178.16 178.44 3iwg h GLN 107 N 0.34 0.73 -0.65 1.82 4.15 -0.56 -2.08 115.11 118.86 3iwg h GLN 107 Ca -0.02 -0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.45 3iwg h GLN 107 Cb 1.17 -0.17 -0.07 0.00 0.21 0.00 0.00 27.48 28.62 3iwg h GLN 107 CO 0.12 0.49 0.29 0.00 -1.93 0.00 0.00 178.83 177.79 3iwg h ALA 108 N 1.28 0.87 -0.10 3.38 0.00 -0.91 0.93 119.26 124.71 3iwg h ALA 108 Ca 0.26 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 3iwg h ALA 108 Cb 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3iwg h ALA 108 CO -0.11 -0.13 -0.62 -0.07 0.00 0.00 0.00 179.25 178.32 3iwg h LEU 109 N 0.50 0.40 -0.16 0.00 3.38 -1.31 -1.34 115.31 116.78 3iwg h LEU 109 Ca 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3iwg h LEU 109 Cb 0.37 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3iwg h LEU 109 CO -0.29 0.92 0.06 0.00 0.09 0.00 0.00 178.44 179.21 3iwg h LEU 111 N 0.08 -0.57 -1.31 0.00 3.38 -0.44 -0.68 115.31 115.77 3iwg h LEU 111 Ca 0.05 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.22 3iwg h LEU 111 Cb 0.20 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3iwg h LEU 111 CO -0.00 -0.20 0.49 0.44 0.09 0.00 0.00 178.44 179.26 3iwg h ASP 112 N -0.03 0.77 -0.17 -0.43 3.32 -1.01 -3.24 116.42 115.64 3iwg h ASP 112 Ca 0.25 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3iwg h ASP 112 Cb 0.42 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3iwg h ASP 112 CO -0.56 0.53 0.00 0.59 -1.72 0.00 0.00 179.24 178.08 3iwg n ASN 113 N -4.45 2.33 -4.82 6.45 3.02 -0.69 -5.01 115.26 112.09 3iwg n ASN 113 Ca 0.09 -1.74 -0.28 0.00 -0.03 0.00 0.00 54.58 52.62 3iwg n ASN 113 Cb 0.12 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 3iwg n ASN 113 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3iwg s SER 114 N -0.90 5.69 -0.15 6.41 0.01 -0.35 -3.17 113.70 121.24 3iwg s SER 114 Ca 0.15 -0.01 -0.13 0.00 1.31 0.00 0.00 55.95 57.28 3iwg s SER 114 Cb 0.09 -1.56 -0.09 0.00 0.21 0.00 0.00 66.02 64.68 3iwg s SER 114 CO 0.12 0.12 0.02 0.00 0.41 0.00 0.00 173.24 173.91 3iwg h ALA 115 N 2.82 0.07 -2.02 1.44 0.00 -0.84 -3.44 119.26 117.29 3iwg h ALA 115 Ca -0.47 -0.63 -0.46 0.00 0.00 0.00 0.00 54.91 53.35 3iwg h ALA 115 Cb 1.18 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 19.30 3iwg h ALA 115 CO 0.66 0.46 -0.59 0.95 0.00 0.00 0.00 179.25 180.73 3iwg s THR 116 N -2.18 0.89 0.14 0.00 -4.23 -1.19 -4.99 115.64 104.08 3iwg s THR 116 Ca -0.17 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.17 3iwg s THR 116 Cb 0.02 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 71.25 3iwg s THR 116 CO 0.32 0.00 0.43 0.72 -0.54 0.00 0.00 174.62 175.56 3iwg s PHE 117 N -3.39 -0.21 0.07 3.99 -0.71 -1.26 -1.28 117.98 115.19 3iwg s PHE 117 Ca 0.34 -0.11 -0.08 0.00 -1.04 0.00 0.00 56.93 56.05 3iwg s PHE 117 Cb 0.07 0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 42.17 3iwg s PHE 117 CO 0.15 -0.75 0.15 -1.59 -1.34 0.00 0.00 175.22 171.84 3iwg s LYS 118 N -3.81 0.76 0.23 1.99 -2.85 -0.46 -5.01 119.74 110.58 3iwg s LYS 118 Ca 0.04 -0.91 -0.30 0.00 -1.00 0.00 0.00 55.97 53.80 3iwg s LYS 118 Cb 0.01 0.31 -0.09 0.00 -2.06 0.00 0.00 37.83 36.00 3iwg s LYS 118 CO -0.10 -0.22 1.04 0.08 0.10 0.00 0.00 175.35 176.24 3iwg s VAL 119 N -3.52 3.81 -0.25 1.79 1.01 -1.26 -0.36 120.40 121.63 3iwg s VAL 119 Ca 0.02 1.74 -0.03 0.00 0.00 0.00 0.00 61.98 63.71 3iwg s VAL 119 Cb 0.04 -4.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.17 3iwg s VAL 119 CO -0.09 0.38 -0.25 -3.20 0.00 0.00 0.00 175.10 171.94 3iwg n ASN 120 N 1.66 2.03 -3.85 3.32 2.85 0.33 -4.75 115.26 116.85 3iwg n ASN 120 Ca -0.00 0.02 -0.07 0.00 -0.11 0.00 0.00 54.58 54.41 3iwg n ASN 120 Cb 0.46 -0.50 -0.02 0.00 1.24 0.00 0.00 39.78 40.96 3iwg n ASN 120 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3iwg s SER 121 N -6.65 -0.26 0.00 1.20 1.04 -0.99 -1.61 113.70 106.43 3iwg s SER 121 Ca -0.33 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.49 3iwg s SER 121 Cb 0.10 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.95 3iwg s SER 121 CO 0.52 -1.34 0.00 0.18 0.98 0.00 0.00 173.24 173.58 3iwg n LEU 122 N -0.46 0.00 0.00 2.42 4.32 -0.12 -1.10 117.00 122.06 3iwg n LEU 122 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 3iwg n LEU 122 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 3iwg n LEU 122 CO 0.15 -0.05 0.00 -1.22 -1.22 0.00 0.00 177.39 175.05 3iwg n TYR 124 N -0.09 0.00 -4.06 -1.77 4.02 0.18 -2.03 117.16 113.41 3iwg n TYR 124 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 3iwg n TYR 124 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.23 3iwg n TYR 124 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 3iwg s GLN 125 N -2.00 0.86 -0.34 -0.72 1.11 0.14 -2.24 119.66 116.47 3iwg s GLN 125 Ca 0.00 -1.27 -0.11 0.00 0.01 0.00 0.00 55.36 53.98 3iwg s GLN 125 Cb 0.00 0.27 0.00 0.00 -1.01 0.00 0.00 33.01 32.27 3iwg s GLN 125 CO 0.00 -0.25 0.20 -1.58 0.01 0.00 0.00 175.29 173.68 3iwg s HIS 126 N -3.97 3.21 -0.23 0.91 2.46 -0.68 -1.42 115.29 115.56 3iwg s HIS 126 Ca 0.16 -0.56 -0.27 0.00 0.47 0.00 0.00 55.06 54.86 3iwg s HIS 126 Cb 0.07 -2.43 0.00 0.00 -0.13 0.00 0.00 32.58 30.09 3iwg s HIS 126 CO -0.03 -0.49 0.92 1.21 -2.47 0.00 0.00 174.74 173.88 3iwg s ASN 127 N 1.64 6.96 0.00 9.88 3.04 -1.17 -4.77 114.94 130.51 3iwg s ASN 127 Ca 0.04 1.19 0.00 0.00 0.04 0.00 0.00 52.86 54.14 3iwg s ASN 127 Cb -0.18 -2.48 0.00 0.00 -1.54 0.00 0.00 41.25 37.05 3iwg s ASN 127 CO 0.08 -0.58 0.12 0.41 -3.04 0.00 0.00 177.10 174.09 3iwg n THR 128 N 5.27 0.12 -3.20 -5.21 -1.04 -1.26 -3.66 114.28 105.29 3iwg n THR 128 Ca 0.08 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.78 3iwg n THR 128 Cb 0.47 -0.70 -0.05 0.00 -1.82 0.00 0.00 70.33 68.23 3iwg n THR 128 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3iwg n LYS 129 N 1.27 3.14 -3.01 -2.82 5.02 -1.26 -5.05 118.16 115.45 3iwg n LYS 129 Ca 0.00 -4.71 -0.18 0.00 -2.02 0.00 0.00 58.31 51.40 3iwg n LYS 129 Cb 0.04 -2.30 0.02 0.00 -0.02 0.00 0.00 35.03 32.77 3iwg n LYS 129 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3iwg n LEU 130 N 0.59 0.00 0.00 -0.35 -0.00 -1.24 -4.83 117.00 111.17 3iwg n LEU 130 Ca 0.31 -2.10 0.00 0.00 -0.00 0.00 0.00 56.01 54.22 3iwg n LEU 130 Cb 0.39 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 3iwg n LEU 130 CO 0.44 -0.56 0.00 0.00 -0.00 0.00 0.00 177.39 177.27 3iwg n ALA 131 N -2.25 0.00 -1.30 1.47 0.00 -1.26 -5.07 120.51 112.09 3iwg n ALA 131 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 3iwg n ALA 131 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 3iwg n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3iwg n ASN 134 N 0.00 -5.68 -4.57 0.00 5.15 -1.26 -5.16 115.26 103.73 3iwg n ASN 134 Ca 0.00 0.26 -0.35 0.00 -0.60 0.00 0.00 54.58 53.88 3iwg n ASN 134 Cb 0.00 -4.09 -0.11 0.00 -0.53 0.00 0.00 39.78 35.05 3iwg n ASN 134 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3iwg s LEU 135 N -2.36 3.72 1.01 1.20 0.20 -1.26 -5.30 118.68 115.90 3iwg s LEU 135 Ca 0.00 -0.01 -0.26 0.00 0.69 0.00 0.00 54.13 54.54 3iwg s LEU 135 Cb 0.00 -1.96 -0.17 0.00 -0.43 0.00 0.00 46.19 43.63 3iwg s LEU 135 CO 0.00 0.09 -1.36 -1.84 -0.29 0.00 0.00 176.35 172.95 3iwg n GLU 136 N 4.07 -0.16 -4.31 1.98 0.28 -1.26 -5.22 120.64 116.01 3iwg n GLU 136 Ca -0.16 -0.05 -0.16 0.00 -0.16 0.00 0.00 57.16 56.63 3iwg n GLU 136 Cb 0.52 -1.07 -0.10 0.00 1.43 0.00 0.00 31.44 32.21 3iwg n GLU 136 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 3iwg s ILE 138 N -2.03 0.98 0.56 3.84 -4.36 -1.26 -5.06 121.20 113.86 3iwg s ILE 138 Ca 0.38 -2.03 0.05 0.00 -0.26 0.00 0.00 60.65 58.80 3iwg s ILE 138 Cb 0.07 -2.28 0.05 0.00 1.25 0.00 0.00 42.46 41.55 3iwg s ILE 138 CO 0.67 -0.37 0.43 -0.62 0.24 0.00 0.00 174.94 175.29 3iwg s ASP 139 N -3.27 4.64 -0.14 4.36 2.15 -1.26 -4.92 116.67 118.22 3iwg s ASP 139 Ca 0.27 -1.26 -0.11 0.00 0.43 0.00 0.00 52.55 51.88 3iwg s ASP 139 Cb 0.06 0.49 0.04 0.00 -0.30 0.00 0.00 42.92 43.20 3iwg s ASP 139 CO 0.07 -1.15 0.37 0.00 -0.17 0.00 0.00 175.17 174.29 3iwg s GLN 141 N -4.32 0.39 0.34 4.34 -2.07 -0.48 -4.75 119.66 113.10 3iwg s GLN 141 Ca 0.34 0.60 -0.29 0.00 -1.82 0.00 0.00 55.36 54.19 3iwg s GLN 141 Cb -0.02 0.10 -0.11 0.00 -1.09 0.00 0.00 33.01 31.89 3iwg s GLN 141 CO 0.22 -0.10 1.40 -1.50 -1.32 0.00 0.00 175.29 173.99 3iwg s ILE 142 N 0.68 2.43 0.28 3.63 2.07 -1.26 -1.77 121.20 127.26 3iwg s ILE 142 Ca -0.04 0.42 -0.29 0.00 -1.41 0.00 0.00 60.65 59.33 3iwg s ILE 142 Cb -0.05 -3.27 -0.10 0.00 0.13 0.00 0.00 42.46 39.17 3iwg s ILE 142 CO -0.05 0.10 1.14 0.00 -1.91 0.00 0.00 174.94 174.22 3iwg s ALA 143 N -0.96 3.43 0.37 1.50 0.00 -0.34 -4.86 121.76 120.89 3iwg s ALA 143 Ca 0.52 0.97 0.08 0.00 0.00 0.00 0.00 51.96 53.53 3iwg s ALA 143 Cb -0.43 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 3iwg s ALA 143 CO 0.56 -0.26 0.17 0.20 0.00 0.00 0.00 175.76 176.43 3iwg s GLY 144 N -0.75 2.10 0.26 0.00 0.00 -1.26 -4.90 107.32 102.77 3iwg s GLY 144 Ca 0.46 -1.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 3iwg s GLY 144 CO 0.43 -1.81 1.80 -0.84 0.00 0.00 0.00 173.10 172.68 3iwg h THR 145 N 1.47 0.86 -0.15 0.90 2.02 -1.96 -0.27 112.91 115.77 3iwg h THR 145 Ca -0.43 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 66.53 3iwg h THR 145 Cb 1.25 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3iwg h THR 145 CO 0.65 0.14 0.15 -0.33 0.37 0.00 0.00 175.52 176.51 3iwg h GLU 146 N 0.78 0.00 -0.33 6.66 5.08 -2.03 -2.05 114.58 122.70 3iwg h GLU 146 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3iwg h GLU 146 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3iwg h GLU 146 CO -0.28 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.77 3iwg n GLN 147 N -3.92 2.32 -0.29 2.33 6.02 -0.11 -4.48 117.38 119.24 3iwg n GLN 147 Ca 0.01 -1.99 0.03 0.00 -0.01 0.00 0.00 57.00 55.04 3iwg n GLN 147 Cb 0.27 -1.48 0.17 0.00 1.02 0.00 0.00 30.24 30.22 3iwg n GLN 147 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3iwg h LEU 148 N 3.94 0.68 -0.78 1.08 5.85 -1.42 -1.78 115.31 122.88 3iwg h LEU 148 Ca 0.00 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 3iwg h LEU 148 Cb 0.87 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3iwg h LEU 148 CO 0.00 0.38 -0.29 0.00 -0.34 0.00 0.00 178.44 178.20 3iwg h THR 149 N 0.79 1.28 -0.42 1.05 1.03 -1.83 -0.24 112.91 114.57 3iwg h THR 149 Ca 0.40 -1.38 -0.05 0.00 -0.01 0.00 0.00 66.41 65.37 3iwg h THR 149 Cb 0.37 1.36 -0.02 0.00 -1.07 0.00 0.00 68.15 68.79 3iwg h THR 149 CO -0.25 0.44 0.08 0.00 -0.01 0.00 0.00 175.52 175.79 3iwg h ALA 150 N 1.17 0.55 -0.74 0.00 0.00 -1.67 0.25 119.26 118.82 3iwg h ALA 150 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3iwg h ALA 150 Cb 0.76 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3iwg h ALA 150 CO 0.06 0.26 0.48 0.74 0.00 0.00 0.00 179.25 180.79 3iwg h PHE 151 N 0.54 0.91 -0.11 0.00 0.04 -0.81 0.13 116.94 117.64 3iwg h PHE 151 Ca 0.13 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 3iwg h PHE 151 Cb 0.35 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 3iwg h PHE 151 CO 0.02 0.56 0.03 0.28 -0.60 0.00 0.00 178.31 178.60 3iwg h VAL 152 N 0.97 1.18 -0.42 -0.55 2.07 -0.74 0.62 116.25 119.38 3iwg h VAL 152 Ca 0.28 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.27 3iwg h VAL 152 Cb -0.07 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3iwg h VAL 152 CO -0.08 0.16 0.23 0.74 0.02 0.00 0.00 177.57 178.65 3iwg h THR 153 N -0.02 1.01 -0.31 2.57 2.02 -0.85 0.22 112.91 117.56 3iwg h THR 153 Ca 0.03 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.10 3iwg h THR 153 Cb 0.23 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 3iwg h THR 153 CO -0.00 0.08 0.06 0.15 0.37 0.00 0.00 175.52 176.18 3iwg h PHE 154 N 0.46 0.10 -0.36 3.16 3.04 -0.41 -1.09 116.94 121.85 3iwg h PHE 154 Ca 0.17 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.99 3iwg h PHE 154 Cb 0.05 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 3iwg h PHE 154 CO -0.09 0.02 -0.37 0.00 -2.02 0.00 0.00 178.31 175.85 3iwg h ALA 155 N 1.23 0.53 -0.36 2.41 0.00 -0.57 -1.45 119.26 121.05 3iwg h ALA 155 Ca 0.15 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3iwg h ALA 155 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3iwg h ALA 155 CO -0.20 0.62 0.23 0.00 0.00 0.00 0.00 179.25 179.90 3iwg h ALA 156 N 0.75 0.45 -0.35 0.00 0.00 -0.41 0.38 119.26 120.09 3iwg h ALA 156 Ca 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3iwg h ALA 156 Cb 0.96 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3iwg h ALA 156 CO 0.09 -0.10 0.01 0.00 0.00 0.00 0.00 179.25 179.25 3iwg h ALA 157 N 1.14 1.37 0.03 0.00 0.00 -1.11 -1.09 119.26 119.59 3iwg h ALA 157 Ca 0.13 -0.20 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 3iwg h ALA 157 Cb -0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3iwg h ALA 157 CO -0.04 0.44 -2.15 0.09 0.00 0.00 0.00 179.25 177.59 3iwg n ASN 158 N -4.28 1.13 -0.11 0.00 3.02 -0.56 -4.57 115.26 109.89 3iwg n ASN 158 Ca 0.02 0.12 0.02 0.00 -0.03 0.00 0.00 54.58 54.70 3iwg n ASN 158 Cb 0.24 0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.43 3iwg n ASN 158 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3iwg n ILE 159 N -3.10 0.00 -0.90 2.41 -5.35 0.13 -4.98 119.36 107.57 3iwg n ILE 159 Ca -0.32 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 3iwg n ILE 159 Cb 1.07 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 40.02 3iwg n ILE 159 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iwg n GLY 160 N 0.33 0.41 3.72 3.28 0.00 -0.41 -5.00 105.19 107.51 3iwg n GLY 160 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3iwg n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwg s ALA 161 N -2.07 2.11 0.46 4.61 0.00 -1.26 -4.97 121.76 120.63 3iwg s ALA 161 Ca 0.00 0.97 -0.22 0.00 0.00 0.00 0.00 51.96 52.71 3iwg s ALA 161 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 3iwg s ALA 161 CO 0.00 -1.92 1.07 -1.25 0.00 0.00 0.00 175.76 173.65 3iwg s PRO 162 N -3.82 3.88 0.17 0.00 0.05 -1.26 -4.54 135.00 129.49 3iwg s PRO 162 Ca 0.76 1.49 -0.08 0.00 0.05 0.00 0.00 61.00 63.22 3iwg s PRO 162 Cb -0.31 -2.28 0.05 0.00 0.05 0.00 0.00 34.50 32.01 3iwg s PRO 162 CO 0.45 -0.38 1.56 0.93 0.05 0.00 0.00 177.00 179.61 3iwg h GLU 163 N 1.92 0.92 -0.07 4.56 5.08 -1.93 -0.82 114.58 124.24 3iwg h GLU 163 Ca -0.49 -0.40 0.02 0.00 -1.00 0.00 0.00 59.36 57.48 3iwg h GLU 163 Cb 1.23 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 3iwg h GLU 163 CO 0.60 1.06 -0.03 1.96 -1.00 0.00 0.00 179.01 181.61 3iwg h GLN 164 N 0.79 -0.01 0.10 2.33 1.08 -2.00 0.47 115.11 117.88 3iwg h GLN 164 Ca 0.10 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.31 3iwg h GLN 164 Cb 0.81 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.22 3iwg h GLN 164 CO 0.07 -0.01 -0.17 2.35 -0.95 0.00 0.00 178.83 180.12 3iwg h TRP 165 N -0.01 -0.45 -0.87 2.96 7.01 -1.93 -2.60 115.95 120.06 3iwg h TRP 165 Ca 0.04 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.18 3iwg h TRP 165 Cb 0.07 0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 27.25 3iwg h TRP 165 CO -0.14 -0.25 0.56 -0.07 -2.79 0.00 0.00 178.44 175.75 3iwg h LEU 166 N -0.34 0.67 -0.87 0.65 -0.00 -1.02 0.92 115.31 115.33 3iwg h LEU 166 Ca 0.02 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.91 3iwg h LEU 166 Cb 0.35 -0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 40.87 3iwg h LEU 166 CO -0.09 0.36 0.40 0.74 -0.00 0.00 0.00 178.44 179.85 3iwg h THR 167 N 0.72 1.26 0.02 0.22 2.02 -0.52 0.82 112.91 117.45 3iwg h THR 167 Ca 0.43 -0.73 -0.15 0.00 0.77 0.00 0.00 66.41 66.73 3iwg h THR 167 Cb 0.64 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3iwg h THR 167 CO -0.19 0.31 -0.61 1.56 0.37 0.00 0.00 175.52 176.96 3iwg h GLN 168 N 1.20 0.37 -0.34 6.66 1.08 -0.96 -1.13 115.11 121.99 3iwg h GLN 168 Ca 0.29 -0.43 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 3iwg h GLN 168 Cb 0.12 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 3iwg h GLN 168 CO -0.04 1.11 0.15 -0.92 -0.95 0.00 0.00 178.83 178.19 3iwg h TYR 169 N -0.18 0.51 -0.11 2.96 3.20 -0.67 -1.46 116.97 121.23 3iwg h TYR 169 Ca -0.08 -0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.59 3iwg h TYR 169 Cb 1.34 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3iwg h TYR 169 CO 0.16 0.46 -0.63 1.88 -1.64 0.00 0.00 178.16 178.39 3iwg h TYR 170 N 0.41 0.49 -0.54 -3.82 0.05 -0.96 -1.31 116.97 111.30 3iwg h TYR 170 Ca 0.12 -0.19 0.01 0.00 0.05 0.00 0.00 58.73 58.71 3iwg h TYR 170 Cb 0.15 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 3iwg h TYR 170 CO -0.01 0.90 0.35 0.78 -1.05 0.00 0.00 178.16 179.13 3iwg h GLY 171 N 1.29 0.76 1.03 3.88 0.00 -0.86 -0.80 103.07 108.38 3iwg h GLY 171 Ca -0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 3iwg h GLY 171 CO 0.11 0.25 0.08 -0.57 0.00 0.00 0.00 176.54 176.41 3iwg h ASN 172 N 0.70 0.95 -0.50 0.19 -0.73 -1.18 -2.40 115.58 112.60 3iwg h ASN 172 Ca 0.21 -0.27 -0.05 0.00 1.87 0.00 0.00 56.30 58.06 3iwg h ASN 172 Cb -0.04 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.27 3iwg h ASN 172 CO -0.06 0.97 0.13 -0.07 -0.37 0.00 0.00 177.43 178.03 3iwg h LEU 173 N 0.88 0.80 -0.45 0.34 4.07 -0.55 -1.64 115.31 118.77 3iwg h LEU 173 Ca 0.18 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3iwg h LEU 173 Cb 0.44 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 3iwg h LEU 173 CO 0.01 0.78 0.29 0.40 -1.08 0.00 0.00 178.44 178.85 3iwg h ILE 174 N 0.82 1.12 -0.22 1.22 2.04 -1.00 -0.02 117.51 121.47 3iwg h ILE 174 Ca 0.18 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 3iwg h ILE 174 Cb 0.30 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3iwg h ILE 174 CO -0.00 0.12 -0.11 -0.33 0.00 0.00 0.00 178.15 177.83 3iwg h GLU 175 N 0.61 0.35 -0.00 2.37 5.08 -1.10 -0.44 114.58 121.45 3iwg h GLU 175 Ca 0.16 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3iwg h GLU 175 Cb -0.05 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3iwg h GLU 175 CO -0.03 0.47 -0.03 0.54 -1.00 0.00 0.00 179.01 178.96 3iwg n ARG 176 N -4.25 0.95 -3.76 2.33 1.74 -0.65 -4.93 116.66 108.09 3iwg n ARG 176 Ca 0.00 -0.21 -0.26 0.00 -0.77 0.00 0.00 57.85 56.60 3iwg n ARG 176 Cb 0.28 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.27 3iwg n ARG 176 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3iwg n LYS 177 N -0.84 -6.42 0.00 5.56 5.02 -0.17 -4.92 118.16 116.39 3iwg n LYS 177 Ca 0.19 0.70 0.07 0.00 -2.02 0.00 0.00 58.31 57.26 3iwg n LYS 177 Cb 0.21 -5.62 0.01 0.00 -0.02 0.00 0.00 35.03 29.61 3iwg n LYS 177 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3iwg n GLU 178 N -4.74 1.65 -4.51 1.97 1.02 -0.36 -4.95 120.64 110.72 3iwg n GLU 178 Ca -0.02 -0.89 -0.34 0.00 -0.02 0.00 0.00 57.16 55.89 3iwg n GLU 178 Cb 0.56 -1.25 -0.11 0.00 -0.02 0.00 0.00 31.44 30.62 3iwg n GLU 178 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3iwg s LEU 179 N -1.85 3.30 0.09 -4.62 2.96 -1.26 -1.02 118.68 116.29 3iwg s LEU 179 Ca 0.14 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3iwg s LEU 179 Cb 0.12 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 3iwg s LEU 179 CO 0.35 0.33 -0.09 -0.36 -1.32 0.00 0.00 176.35 175.25 3iwg s PHE 180 N -0.58 0.98 0.03 5.38 0.40 0.19 -1.20 117.98 123.18 3iwg s PHE 180 Ca 0.09 -0.71 0.06 0.00 -0.60 0.00 0.00 56.93 55.77 3iwg s PHE 180 Cb -0.12 -0.54 -0.02 0.00 0.51 0.00 0.00 43.02 42.85 3iwg s PHE 180 CO 0.02 -0.04 -0.17 0.20 0.70 0.00 0.00 175.22 175.92 3iwg s GLY 181 N -2.53 0.94 -0.25 4.36 0.00 -0.73 -0.12 107.32 108.99 3iwg s GLY 181 Ca 0.06 -0.91 -0.02 0.00 0.00 0.00 0.00 44.72 43.85 3iwg s GLY 181 CO -0.01 -0.85 -0.05 -0.47 0.00 0.00 0.00 173.10 171.71 3iwg s TYR 182 N -0.76 3.07 0.10 1.90 5.04 -0.33 -1.39 117.35 124.97 3iwg s TYR 182 Ca 0.05 -1.51 0.07 0.00 -2.44 0.00 0.00 57.07 53.24 3iwg s TYR 182 Cb -0.08 -2.07 -0.04 0.00 0.35 0.00 0.00 41.96 40.12 3iwg s TYR 182 CO 0.01 -0.72 -0.13 -1.58 -1.34 0.00 0.00 175.55 171.79 3iwg s TRP 183 N 1.34 2.67 -0.15 4.97 0.52 -1.26 0.99 118.94 128.02 3iwg s TRP 183 Ca 0.00 -0.19 -0.07 0.00 0.02 0.00 0.00 56.10 55.87 3iwg s TRP 183 Cb -0.17 -1.42 0.06 0.00 -1.15 0.00 0.00 33.47 30.80 3iwg s TRP 183 CO -0.04 0.40 0.33 -1.58 0.02 0.00 0.00 176.95 176.08 3iwg s HIS 184 N -1.16 -0.51 -1.37 -1.98 2.46 0.13 -4.87 115.29 108.00 3iwg s HIS 184 Ca 0.20 1.10 -0.02 0.00 0.47 0.00 0.00 55.06 56.81 3iwg s HIS 184 Cb -0.11 0.14 0.01 0.00 -0.13 0.00 0.00 32.58 32.49 3iwg s HIS 184 CO 0.12 -0.33 0.63 1.63 -2.47 0.00 0.00 174.74 174.31 3iwg n LYS 185 N 4.67 -4.38 -0.90 2.88 5.02 -1.26 -0.80 118.16 123.39 3iwg n LYS 185 Ca -0.18 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 3iwg n LYS 185 Cb 0.52 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 3iwg n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iwg n GLY 186 N -1.72 0.40 3.34 0.72 0.00 -1.26 -5.02 105.19 101.66 3iwg n GLY 186 Ca -0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 3iwg n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwg s LYS 187 N -0.70 1.29 -0.24 1.61 1.02 0.02 -5.11 119.74 117.64 3iwg s LYS 187 Ca 0.00 -1.38 -0.26 0.00 0.02 0.00 0.00 55.97 54.35 3iwg s LYS 187 Cb 0.00 -1.45 -0.00 0.00 -0.52 0.00 0.00 37.83 35.86 3iwg s LYS 187 CO 0.00 0.31 0.90 -0.51 -0.92 0.00 0.00 175.35 175.13 3iwg s LEU 188 N -2.50 4.09 0.07 3.17 1.43 -1.26 0.23 118.68 123.90 3iwg s LEU 188 Ca 0.15 1.16 0.15 0.00 -1.03 0.00 0.00 54.13 54.56 3iwg s LEU 188 Cb -0.07 -3.31 -0.14 0.00 0.03 0.00 0.00 46.19 42.70 3iwg s LEU 188 CO 0.07 -0.57 0.90 -0.07 0.23 0.00 0.00 176.35 176.91 3iwg h LEU 189 N 9.24 0.00 -7.10 1.79 3.38 0.30 -3.45 115.31 119.47 3iwg h LEU 189 Ca -0.22 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.83 3iwg h LEU 189 Cb 1.08 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.70 3iwg h LEU 189 CO 0.91 0.70 0.40 0.00 0.09 0.00 0.00 178.44 180.53 3iwg s ALA 190 N -2.84 -1.72 -0.04 1.53 0.00 -1.09 -0.69 121.76 116.92 3iwg s ALA 190 Ca -0.02 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.71 3iwg s ALA 190 Cb 0.08 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 3iwg s ALA 190 CO 0.81 -0.76 -0.20 0.00 0.00 0.00 0.00 175.76 175.61 3iwg s ALA 191 N -3.36 1.73 0.06 0.00 0.00 -0.01 -1.19 121.76 118.99 3iwg s ALA 191 Ca 0.05 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.24 3iwg s ALA 191 Cb -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 3iwg s ALA 191 CO -0.08 0.35 -0.19 0.20 0.00 0.00 0.00 175.76 176.04 3iwg s GLY 192 N -0.16 1.04 -0.09 0.00 0.00 0.83 -1.13 107.32 107.81 3iwg s GLY 192 Ca -0.00 -1.04 0.04 0.00 0.00 0.00 0.00 44.72 43.72 3iwg s GLY 192 CO 0.02 -1.00 -0.21 -0.54 0.00 0.00 0.00 173.10 171.37 3iwg s GLU 193 N -1.37 2.65 -0.47 2.90 2.02 0.25 0.52 118.70 125.21 3iwg s GLU 193 Ca 0.05 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.30 3iwg s GLU 193 Cb -0.09 -2.06 0.13 0.00 0.10 0.00 0.00 34.13 32.22 3iwg s GLU 193 CO 0.02 0.17 0.25 0.00 0.02 0.00 0.00 175.26 175.72 3iwg s ARG 195 N 0.08 3.89 0.39 0.00 0.52 -0.61 -4.63 118.95 118.59 3iwg s ARG 195 Ca 0.17 -0.09 -0.05 0.00 -0.52 0.00 0.00 55.73 55.24 3iwg s ARG 195 Cb -0.25 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 3iwg s ARG 195 CO 0.00 0.51 0.67 -0.51 0.02 0.00 0.00 175.30 175.99 3iwg s LEU 196 N -0.27 3.85 -0.14 2.53 1.02 -1.26 -1.31 118.68 123.10 3iwg s LEU 196 Ca 0.13 0.81 -0.11 0.00 0.02 0.00 0.00 54.13 54.98 3iwg s LEU 196 Cb -0.12 -3.70 -0.05 0.00 0.02 0.00 0.00 46.19 42.35 3iwg s LEU 196 CO 0.02 -0.39 0.23 -0.36 0.02 0.00 0.00 176.35 175.87 3iwg s PHE 197 N -2.43 3.51 -0.08 0.29 0.08 -1.26 -4.95 117.98 113.15 3iwg s PHE 197 Ca 0.46 0.56 0.20 0.00 0.12 0.00 0.00 56.93 58.26 3iwg s PHE 197 Cb -0.10 -2.19 0.47 0.00 -0.57 0.00 0.00 43.02 40.62 3iwg s PHE 197 CO 0.37 0.42 1.63 -0.44 -0.10 0.00 0.00 175.22 177.10 3iwg h ASP 198 N 6.05 0.00 -5.15 1.36 3.32 -1.98 -3.39 116.42 116.63 3iwg h ASP 198 Ca -0.46 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 3iwg h ASP 198 Cb 1.18 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.60 3iwg h ASP 198 CO 0.70 0.31 -0.31 -1.10 -1.72 0.00 0.00 179.24 177.12 3iwg s GLN 199 N -3.29 0.91 0.00 3.56 -0.21 -1.26 -4.94 119.66 114.43 3iwg s GLN 199 Ca 0.03 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 54.48 3iwg s GLN 199 Cb 0.08 0.37 0.00 0.00 1.00 0.00 0.00 33.01 34.46 3iwg s GLN 199 CO 0.69 -0.30 0.00 0.66 -2.12 0.00 0.00 175.29 174.21 3iwg n TYR 200 N -0.10 0.00 -2.06 0.91 4.01 -1.26 -4.33 117.16 114.33 3iwg n TYR 200 Ca -0.15 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.51 3iwg n TYR 200 Cb 0.63 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.74 3iwg n TYR 200 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3iwg n GLN 201 N 0.00 2.33 0.00 -0.72 6.02 -1.26 -4.87 117.38 118.88 3iwg n GLN 201 Ca 0.00 -3.58 0.05 0.00 -0.01 0.00 0.00 57.00 53.47 3iwg n GLN 201 Cb 0.00 -1.74 0.32 0.00 1.02 0.00 0.00 30.24 29.84 3iwg n GLN 201 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3iwg n THR 202 N -0.70 0.00 1.14 5.09 -2.24 -1.26 -1.12 114.28 115.19 3iwg n THR 202 Ca 0.27 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.17 3iwg n THR 202 Cb 0.88 -0.67 0.21 0.00 -2.10 0.00 0.00 70.33 68.65 3iwg n THR 202 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3iwg n GLU 203 N -0.89 2.08 -4.43 -0.78 0.00 -1.26 -4.91 120.64 110.45 3iwg n GLU 203 Ca 0.08 -1.61 -0.25 0.00 0.00 0.00 0.00 57.16 55.38 3iwg n GLU 203 Cb 0.04 -1.47 -0.11 0.00 0.00 0.00 0.00 31.44 29.91 3iwg n GLU 203 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3iwg s TYR 204 N -2.03 2.34 -0.08 -1.84 2.02 -0.27 -1.03 117.35 116.46 3iwg s TYR 204 Ca 0.30 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.72 3iwg s TYR 204 Cb 0.20 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 3iwg s TYR 204 CO 0.33 0.61 -0.23 0.00 -1.57 0.00 0.00 175.55 174.68 3iwg s ALA 205 N -2.10 2.22 -0.29 3.71 0.00 -0.11 -4.11 121.76 121.08 3iwg s ALA 205 Ca 0.26 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 3iwg s ALA 205 Cb -0.07 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 3iwg s ALA 205 CO 0.13 0.36 0.14 0.34 0.00 0.00 0.00 175.76 176.73 3iwg s ASP 206 N 0.05 5.51 -0.00 0.00 2.15 -0.42 -1.20 116.67 122.74 3iwg s ASP 206 Ca -0.10 -0.40 -0.03 0.00 0.43 0.00 0.00 52.55 52.45 3iwg s ASP 206 Cb -0.15 -2.00 -0.04 0.00 -0.30 0.00 0.00 42.92 40.43 3iwg s ASP 206 CO 0.06 -0.14 0.20 -0.76 -0.17 0.00 0.00 175.17 174.35 3iwg s LEU 207 N 1.63 4.37 0.00 -1.34 1.43 -0.67 -1.58 118.68 122.52 3iwg s LEU 207 Ca 0.05 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 3iwg s LEU 207 Cb -0.16 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 3iwg s LEU 207 CO 0.06 0.26 0.12 0.61 0.23 0.00 0.00 176.35 177.63 3iwg n GLY 208 N 0.96 3.48 3.32 -3.19 0.00 -0.75 -4.53 105.19 104.48 3iwg n GLY 208 Ca -0.11 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 3iwg n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iwg s ILE 210 N -2.52 -0.35 -0.13 -0.61 1.01 -0.29 -0.58 121.20 117.73 3iwg s ILE 210 Ca 0.15 0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 3iwg s ILE 210 Cb 0.01 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 3iwg s ILE 210 CO 0.10 0.05 0.16 -0.69 0.00 0.00 0.00 174.94 174.56 3iwg s VAL 211 N 2.04 5.45 0.22 2.92 1.01 -1.26 -0.83 120.40 129.94 3iwg s VAL 211 Ca -0.06 0.26 -0.32 0.00 0.00 0.00 0.00 61.98 61.86 3iwg s VAL 211 Cb -0.10 -3.44 -0.13 0.00 0.00 0.00 0.00 36.38 32.71 3iwg s VAL 211 CO -0.14 0.58 1.48 0.00 0.00 0.00 0.00 175.10 177.02 3iwg n ALA 212 N 2.30 1.33 0.32 5.51 0.00 0.13 -4.83 120.51 125.27 3iwg n ALA 212 Ca -0.19 0.42 0.21 0.00 0.00 0.00 0.00 53.44 53.88 3iwg n ALA 212 Cb 0.54 -2.32 1.07 0.00 0.00 0.00 0.00 19.45 18.74 3iwg n ALA 212 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3iwg h GLN 213 N 4.86 0.00 0.00 0.00 5.75 -1.93 -0.50 115.11 123.29 3iwg h GLN 213 Ca -0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 3iwg h GLN 213 Cb 1.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.81 3iwg h GLN 213 CO 0.81 0.00 0.00 -1.13 -2.65 0.00 0.00 178.83 175.86 3iwg n SER 214 N -3.00 0.00 -1.93 -0.69 3.41 -1.26 -4.04 113.62 106.11 3iwg n SER 214 Ca -0.02 -0.65 0.02 0.00 -0.26 0.00 0.00 58.87 57.97 3iwg n SER 214 Cb 0.11 -0.10 0.03 0.00 -0.26 0.00 0.00 64.21 63.99 3iwg n SER 214 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3iwg n ASN 215 N -1.10 1.09 -4.79 4.04 3.02 -0.20 -5.09 115.26 112.24 3iwg n ASN 215 Ca 0.19 -2.01 -0.34 0.00 -0.03 0.00 0.00 54.58 52.39 3iwg n ASN 215 Cb 0.14 -0.33 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 3iwg n ASN 215 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3iwg s ARG 216 N -1.20 3.55 -0.28 3.52 1.81 -1.21 -3.88 118.95 121.25 3iwg s ARG 216 Ca 0.31 1.40 0.00 0.00 -1.72 0.00 0.00 55.73 55.72 3iwg s ARG 216 Cb 0.36 -2.05 0.00 0.00 -0.45 0.00 0.00 34.95 32.81 3iwg s ARG 216 CO -0.12 -0.65 0.00 0.41 -0.68 0.00 0.00 175.30 174.26 3iwg n GLY 217 N -0.29 0.59 0.44 -3.53 0.00 -1.26 -4.90 105.19 96.25 3iwg n GLY 217 Ca 0.10 -0.70 0.04 0.00 0.00 0.00 0.00 46.02 45.45 3iwg n GLY 217 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iwg n GLN 218 N -2.77 2.90 -0.84 1.61 6.02 -1.25 -4.99 117.38 118.06 3iwg n GLN 218 Ca -0.03 -1.87 0.00 0.00 -0.01 0.00 0.00 57.00 55.09 3iwg n GLN 218 Cb 0.11 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.18 3iwg n GLN 218 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iwg n GLY 219 N 0.20 0.58 0.24 1.08 0.00 -1.26 -4.94 105.19 101.09 3iwg n GLY 219 Ca 0.08 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 3iwg n GLY 219 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3iwg h ILE 220 N 0.00 1.29 -0.72 -0.61 2.04 -1.94 -3.01 117.51 114.55 3iwg h ILE 220 Ca 0.00 -1.59 -0.06 0.00 1.00 0.00 0.00 64.86 64.21 3iwg h ILE 220 Cb 0.00 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3iwg h ILE 220 CO 0.00 0.52 0.23 0.00 0.00 0.00 0.00 178.15 178.90 3iwg h ALA 221 N 0.71 0.95 -0.54 1.87 0.00 -1.93 -1.31 119.26 119.01 3iwg h ALA 221 Ca 0.04 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.80 3iwg h ALA 221 Cb 1.01 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 3iwg h ALA 221 CO 0.10 0.63 0.19 -0.22 0.00 0.00 0.00 179.25 179.94 3iwg h LYS 222 N 1.07 0.35 -0.15 0.00 3.64 -1.80 -0.81 116.57 118.87 3iwg h LYS 222 Ca 0.23 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 3iwg h LYS 222 Cb 0.30 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3iwg h LYS 222 CO -0.01 0.23 -0.23 0.87 -2.27 0.00 0.00 179.45 178.05 3iwg h LYS 223 N 0.36 0.26 -0.06 1.90 1.57 -1.18 -1.07 116.57 118.36 3iwg h LYS 223 Ca 0.26 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3iwg h LYS 223 Cb 0.30 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3iwg h LYS 223 CO -0.27 0.49 -0.10 0.28 -0.57 0.00 0.00 179.45 179.27 3iwg h VAL 224 N 0.24 1.40 -0.90 0.50 2.07 -0.47 -1.56 116.25 117.53 3iwg h VAL 224 Ca 0.04 -1.37 0.05 0.00 0.82 0.00 0.00 66.70 66.25 3iwg h VAL 224 Cb 0.54 2.16 -0.06 0.00 -1.52 0.00 0.00 31.29 32.41 3iwg h VAL 224 CO 0.04 0.38 0.57 -0.07 0.02 0.00 0.00 177.57 178.51 3iwg h LEU 225 N -0.29 0.92 -0.55 2.57 3.38 -0.95 -0.36 115.31 120.02 3iwg h LEU 225 Ca 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3iwg h LEU 225 Cb 0.66 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3iwg h LEU 225 CO 0.02 0.61 0.23 0.74 0.09 0.00 0.00 178.44 180.13 3iwg h THR 226 N 1.07 1.22 -0.13 0.22 2.02 -1.00 0.55 112.91 116.86 3iwg h THR 226 Ca 0.38 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3iwg h THR 226 Cb 0.11 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3iwg h THR 226 CO -0.15 0.25 0.08 0.15 0.37 0.00 0.00 175.52 176.22 3iwg h PHE 227 N 0.74 0.16 -0.56 3.16 3.04 -0.64 -2.12 116.94 120.72 3iwg h PHE 227 Ca 0.18 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 3iwg h PHE 227 Cb 0.18 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 3iwg h PHE 227 CO 0.00 0.14 0.14 -0.07 -2.02 0.00 0.00 178.31 176.50 3iwg h LEU 228 N 0.14 0.80 -0.54 0.59 3.38 -0.70 -0.51 115.31 118.48 3iwg h LEU 228 Ca 0.05 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3iwg h LEU 228 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3iwg h LEU 228 CO -0.01 0.78 0.19 0.74 0.09 0.00 0.00 178.44 180.23 3iwg h THR 229 N 0.83 1.23 -0.62 0.22 2.02 -0.76 -0.81 112.91 115.01 3iwg h THR 229 Ca 0.18 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 3iwg h THR 229 Cb 0.29 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3iwg h THR 229 CO -0.00 0.27 0.23 0.50 0.37 0.00 0.00 175.52 176.89 3iwg h LYS 230 N 0.73 0.93 -0.57 6.66 3.64 -0.63 0.66 116.57 127.99 3iwg h LYS 230 Ca 0.18 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3iwg h LYS 230 Cb 0.23 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 3iwg h LYS 230 CO -0.01 0.80 0.11 1.25 -2.27 0.00 0.00 179.45 179.33 3iwg h HIS 231 N 0.87 0.94 -0.04 1.91 2.76 -0.92 -0.60 115.15 120.07 3iwg h HIS 231 Ca 0.20 -0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3iwg h HIS 231 Cb 0.23 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.92 3iwg h HIS 231 CO 0.01 0.80 0.02 0.00 -1.30 0.00 0.00 177.93 177.46 3iwg h ALA 232 N 1.26 0.05 -0.98 5.26 0.00 -0.77 -3.11 119.26 120.97 3iwg h ALA 232 Ca 0.18 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.11 3iwg h ALA 232 Cb 0.35 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 3iwg h ALA 232 CO 0.00 -0.37 0.62 0.00 0.00 0.00 0.00 179.25 179.50 3iwg h ALA 233 N 0.86 1.43 0.00 0.00 0.00 -0.20 0.69 119.26 122.04 3iwg h ALA 233 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3iwg h ALA 233 Cb 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3iwg h ALA 233 CO -0.00 0.29 -0.03 1.79 0.00 0.00 0.00 179.25 181.29 3iwg h THR 234 N 1.03 0.65 -0.05 0.00 1.35 -1.07 -0.08 112.91 114.73 3iwg h THR 234 Ca 0.46 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 3iwg h THR 234 Cb 0.36 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3iwg h THR 234 CO -0.23 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.07 3iwg n GLN 235 N -3.95 1.46 -0.87 4.72 6.02 0.17 -4.92 117.38 120.02 3iwg n GLN 235 Ca -0.03 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.29 3iwg n GLN 235 Cb 0.12 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.95 3iwg n GLN 235 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iwg n GLY 236 N 1.07 0.50 3.74 1.08 0.00 -0.04 -5.05 105.19 106.49 3iwg n GLY 236 Ca 0.18 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 3iwg n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwg s LEU 237 N 0.00 3.67 -0.01 0.99 1.43 -0.82 -4.94 118.68 119.00 3iwg s LEU 237 Ca 0.00 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 3iwg s LEU 237 Cb 0.00 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 3iwg s LEU 237 CO 0.00 0.18 0.37 -0.89 0.23 0.00 0.00 176.35 176.23 3iwg s THR 238 N -1.35 5.11 -0.04 5.49 2.01 -0.20 -3.62 115.64 123.04 3iwg s THR 238 Ca 0.28 0.70 -0.13 0.00 0.31 0.00 0.00 61.69 62.85 3iwg s THR 238 Cb -0.12 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 3iwg s THR 238 CO 0.20 0.56 0.35 -0.44 -0.69 0.00 0.00 174.62 174.60 3iwg s SER 239 N -1.14 6.70 0.19 3.53 0.01 -1.26 -0.93 113.70 120.80 3iwg s SER 239 Ca 0.23 0.83 0.05 0.00 1.31 0.00 0.00 55.95 58.38 3iwg s SER 239 Cb -0.16 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 3iwg s SER 239 CO 0.12 0.31 -0.09 0.27 0.41 0.00 0.00 173.24 174.26 3iwg s ILE 240 N -0.87 1.36 0.28 1.44 -4.36 -0.34 -1.68 121.20 117.02 3iwg s ILE 240 Ca 0.22 -2.11 -0.20 0.00 -0.26 0.00 0.00 60.65 58.30 3iwg s ILE 240 Cb -0.15 -2.07 0.02 0.00 1.25 0.00 0.00 42.46 41.51 3iwg s ILE 240 CO 0.11 -0.57 0.70 0.00 0.24 0.00 0.00 174.94 175.42 3iwg s SER 242 N -2.93 0.69 0.23 0.00 1.04 -1.26 -0.65 113.70 110.81 3iwg s SER 242 Ca 0.12 -1.02 -0.13 0.00 0.48 0.00 0.00 55.95 55.40 3iwg s SER 242 Cb -0.06 0.17 -0.00 0.00 0.10 0.00 0.00 66.02 66.24 3iwg s SER 242 CO 0.07 -0.57 0.45 0.28 0.98 0.00 0.00 173.24 174.46 3iwg s THR 243 N -3.84 0.01 0.54 2.02 -1.32 -0.86 -4.98 115.64 107.22 3iwg s THR 243 Ca 0.10 -1.31 -0.18 0.00 -1.21 0.00 0.00 61.69 59.09 3iwg s THR 243 Cb 0.07 -2.05 -0.06 0.00 -1.51 0.00 0.00 72.50 68.95 3iwg s THR 243 CO -0.07 -0.07 1.06 -1.61 -2.21 0.00 0.00 174.62 171.72 3iwg s GLU 244 N -3.99 3.52 0.47 7.08 8.01 -1.26 -0.95 118.70 131.58 3iwg s GLU 244 Ca 0.20 1.34 0.19 0.00 0.01 0.00 0.00 54.97 56.71 3iwg s GLU 244 Cb -0.00 -2.05 1.15 0.00 -4.31 0.00 0.00 34.13 28.91 3iwg s GLU 244 CO 0.06 -0.66 2.01 0.66 0.01 0.00 0.00 175.26 177.33 3iwg h SER 245 N 1.03 0.00 0.15 -0.19 4.64 -1.59 -1.59 113.55 115.99 3iwg h SER 245 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3iwg h SER 245 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3iwg h SER 245 CO 0.58 0.18 -0.05 -0.46 -0.87 0.00 0.00 176.83 176.21 3iwg n ASN 246 N -4.04 0.63 -4.31 4.97 6.94 -1.26 -4.62 115.26 113.57 3iwg n ASN 246 Ca -0.02 -0.96 -0.44 0.00 -0.02 0.00 0.00 54.58 53.14 3iwg n ASN 246 Cb 0.26 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 3iwg n ASN 246 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3iwg n ASN 247 N -0.65 5.21 -0.29 0.53 2.85 -0.60 -4.80 115.26 117.52 3iwg n ASN 247 Ca 0.18 -3.02 -0.05 0.00 -0.11 0.00 0.00 54.58 51.59 3iwg n ASN 247 Cb 0.25 -1.54 0.07 0.00 1.24 0.00 0.00 39.78 39.80 3iwg n ASN 247 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3iwg h VAL 248 N 4.38 1.24 -0.71 3.44 2.07 -1.84 -1.91 116.25 122.92 3iwg h VAL 248 Ca 0.33 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3iwg h VAL 248 Cb 0.81 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3iwg h VAL 248 CO 1.34 0.27 0.34 0.00 0.02 0.00 0.00 177.57 179.54 3iwg h ALA 249 N 1.22 0.92 -0.40 1.67 0.00 -1.99 -1.36 119.26 119.32 3iwg h ALA 249 Ca 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3iwg h ALA 249 Cb 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3iwg h ALA 249 CO -0.04 0.49 0.18 0.00 0.00 0.00 0.00 179.25 179.88 3iwg h ALA 250 N 1.16 0.51 -0.56 0.00 0.00 -1.90 -0.86 119.26 117.62 3iwg h ALA 250 Ca 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3iwg h ALA 250 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3iwg h ALA 250 CO -0.03 0.09 0.20 1.96 0.00 0.00 0.00 179.25 181.46 3iwg h GLN 251 N 0.50 0.85 0.00 0.00 4.20 -1.13 0.97 115.11 120.50 3iwg h GLN 251 Ca 0.14 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3iwg h GLN 251 Cb 0.14 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3iwg h GLN 251 CO -0.02 0.76 -0.00 -0.22 -0.67 0.00 0.00 178.83 178.68 3iwg h LYS 252 N 0.77 -0.00 -0.54 1.46 3.64 -0.99 -0.90 116.57 120.00 3iwg h LYS 252 Ca 0.18 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3iwg h LYS 252 Cb 0.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3iwg h LYS 252 CO -0.01 0.01 0.02 0.00 -2.27 0.00 0.00 179.45 177.20 3iwg h ALA 253 N 0.98 1.01 -0.59 5.00 0.00 -0.66 -1.05 119.26 123.94 3iwg h ALA 253 Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3iwg h ALA 253 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3iwg h ALA 253 CO 0.00 0.61 0.21 0.82 0.00 0.00 0.00 179.25 180.89 3iwg h ILE 254 N 0.85 1.24 0.01 0.00 2.04 -0.61 0.55 117.51 121.59 3iwg h ILE 254 Ca 0.16 -0.78 -0.19 0.00 1.00 0.00 0.00 64.86 65.05 3iwg h ILE 254 Cb 0.48 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3iwg h ILE 254 CO 0.02 0.30 -0.89 0.00 0.00 0.00 0.00 178.15 177.58 3iwg h ALA 255 N 1.07 0.53 0.00 1.87 0.00 -0.81 -2.19 119.26 119.72 3iwg h ALA 255 Ca 0.19 -0.77 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 3iwg h ALA 255 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3iwg h ALA 255 CO -0.01 1.02 -0.35 0.45 0.00 0.00 0.00 179.25 180.36 3iwg h HIS 256 N 0.04 0.00 -0.01 0.00 3.86 -0.87 -2.65 115.15 115.52 3iwg h HIS 256 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3iwg h HIS 256 Cb 1.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.02 3iwg h HIS 256 CO 0.01 0.35 0.00 0.00 0.86 0.00 0.00 177.93 179.15 3iwg n ALA 257 N -2.38 2.50 -0.77 2.45 0.00 0.16 -4.83 120.51 117.64 3iwg n ALA 257 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3iwg n ALA 257 Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3iwg n ALA 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iwg n GLY 258 N 0.43 0.60 3.90 0.00 0.00 -1.00 -4.87 105.19 104.25 3iwg n GLY 258 Ca 0.00 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 3iwg n GLY 258 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwg s PHE 259 N -2.00 3.54 0.30 1.61 0.40 -1.08 -3.06 117.98 117.69 3iwg s PHE 259 Ca 0.00 0.40 0.08 0.00 -0.60 0.00 0.00 56.93 56.81 3iwg s PHE 259 Cb 0.00 -1.87 -0.06 0.00 0.51 0.00 0.00 43.02 41.61 3iwg s PHE 259 CO 0.00 0.61 -0.09 0.95 0.70 0.00 0.00 175.22 177.39 3iwg s THR 260 N -1.38 1.96 -0.23 0.64 -4.23 -0.51 -4.32 115.64 107.57 3iwg s THR 260 Ca 0.30 -2.19 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 3iwg s THR 260 Cb -0.13 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.31 3iwg s THR 260 CO 0.20 -0.30 0.08 -0.55 -0.54 0.00 0.00 174.62 173.51 3iwg s SER 261 N -3.50 3.10 0.00 3.99 0.15 -1.26 -0.69 113.70 115.49 3iwg s SER 261 Ca 0.30 -1.01 0.22 0.00 0.70 0.00 0.00 55.95 56.17 3iwg s SER 261 Cb 0.02 -0.52 0.22 0.00 -1.71 0.00 0.00 66.02 64.03 3iwg s SER 261 CO 0.14 -0.36 1.24 0.00 1.20 0.00 0.00 173.24 175.45 3iwg n ALA 262 N 5.10 2.45 -2.48 5.45 0.00 -1.26 -5.00 120.51 124.77 3iwg n ALA 262 Ca -0.07 -0.74 -0.19 0.00 0.00 0.00 0.00 53.44 52.44 3iwg n ALA 262 Cb 0.46 -0.76 -0.11 0.00 0.00 0.00 0.00 19.45 19.03 3iwg n ALA 262 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3iwg s HIS 263 N -1.77 1.55 -0.02 0.00 3.76 -1.26 -5.02 115.29 112.54 3iwg s HIS 263 Ca 0.28 -0.52 -0.05 0.00 -0.15 0.00 0.00 55.06 54.62 3iwg s HIS 263 Cb 0.19 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 33.09 3iwg s HIS 263 CO 0.28 0.20 0.10 1.03 -0.85 0.00 0.00 174.74 175.51 3iwg s ARG 264 N -2.67 0.29 -0.19 1.40 1.81 -1.26 -4.56 118.95 113.76 3iwg s ARG 264 Ca 0.11 -0.15 -0.09 0.00 -1.72 0.00 0.00 55.73 53.88 3iwg s ARG 264 Cb -0.05 0.12 -0.05 0.00 -0.45 0.00 0.00 34.95 34.52 3iwg s ARG 264 CO 0.04 -0.06 0.11 0.42 -0.68 0.00 0.00 175.30 175.13 3iwg s ILE 265 N -0.67 5.20 0.07 1.52 1.01 -0.26 -1.86 121.20 126.20 3iwg s ILE 265 Ca -0.08 0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.78 3iwg s ILE 265 Cb -0.05 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 3iwg s ILE 265 CO 0.00 0.46 -0.26 -0.69 0.00 0.00 0.00 174.94 174.45 3iwg s VAL 266 N 0.28 2.10 -0.27 2.92 1.01 -0.13 0.12 120.40 126.44 3iwg s VAL 266 Ca 0.07 -1.46 -0.07 0.00 0.00 0.00 0.00 61.98 60.51 3iwg s VAL 266 Cb -0.11 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3iwg s VAL 266 CO -0.01 0.27 0.08 -1.58 0.00 0.00 0.00 175.10 173.86 3iwg s GLN 267 N -1.44 3.44 -0.08 2.72 0.74 0.52 -2.24 119.66 123.31 3iwg s GLN 267 Ca 0.12 -0.63 -0.03 0.00 0.05 0.00 0.00 55.36 54.87 3iwg s GLN 267 Cb -0.10 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 3iwg s GLN 267 CO 0.03 -0.30 0.05 -0.06 -0.55 0.00 0.00 175.29 174.47 3iwg s PHE 268 N 1.58 3.30 -0.11 1.67 0.08 0.66 -1.36 117.98 123.80 3iwg s PHE 268 Ca 0.05 0.29 -0.03 0.00 0.12 0.00 0.00 56.93 57.36 3iwg s PHE 268 Cb -0.16 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 3iwg s PHE 268 CO 0.03 0.56 -0.01 -1.21 -0.10 0.00 0.00 175.22 174.50 3iwg s GLU 269 N -1.09 3.24 0.27 0.44 0.41 -0.41 -1.14 118.70 120.42 3iwg s GLU 269 Ca 0.16 -0.44 -0.25 0.00 -0.41 0.00 0.00 54.97 54.02 3iwg s GLU 269 Cb -0.12 -2.85 -0.09 0.00 -1.78 0.00 0.00 34.13 29.29 3iwg s GLU 269 CO 0.05 0.54 0.88 -0.06 -0.49 0.00 0.00 175.26 176.17 3iwg s PHE 270 N -0.42 3.77 -2.36 1.61 0.08 -0.33 -0.20 117.98 120.13 3iwg s PHE 270 Ca 0.08 1.71 0.29 0.00 0.12 0.00 0.00 56.93 59.13 3iwg s PHE 270 Cb -0.12 -2.86 1.29 0.00 -0.57 0.00 0.00 43.02 40.76 3iwg s PHE 270 CO 0.02 0.32 1.88 0.36 -0.10 0.00 0.00 175.22 177.70