#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijg n ILE 12 N 0.00 0.90 0.15 0.44 2.08 -1.26 -3.00 119.36 118.67 1ijg n ILE 12 Ca 0.00 0.22 0.13 0.00 0.56 0.00 0.00 62.75 63.67 1ijg n ILE 12 Cb 0.00 -1.02 0.67 0.00 -0.75 0.00 0.00 39.64 38.54 1ijg n ILE 12 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1ijg h ASN 13 N 0.00 0.00 -0.06 4.38 2.35 -2.05 -1.37 115.58 118.82 1ijg h ASN 13 Ca 0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1ijg h ASN 13 Cb 0.16 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.53 1ijg h ASN 13 CO 0.00 0.00 -0.36 -0.33 -1.65 0.00 0.00 177.43 175.09 1ijg h GLU 14 N 0.00 0.35 -0.19 0.81 4.39 -1.98 -2.41 114.58 115.56 1ijg h GLU 14 Ca 0.11 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 1ijg h GLU 14 Cb 0.45 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1ijg h GLU 14 CO -0.00 0.94 -0.08 0.82 -1.16 0.00 0.00 179.01 179.53 1ijg h ILE 15 N -0.14 1.17 -0.27 3.13 2.04 -1.65 -2.04 117.51 119.75 1ijg h ILE 15 Ca -0.03 -0.71 -0.13 0.00 1.00 0.00 0.00 64.86 64.99 1ijg h ILE 15 Cb 1.02 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1ijg h ILE 15 CO 0.07 0.23 -0.34 -0.61 0.00 0.00 0.00 178.15 177.50 1ijg h GLN 16 N 0.28 0.71 -0.39 2.37 5.75 -1.28 -0.97 115.11 121.58 1ijg h GLN 16 Ca 0.06 -0.40 -0.01 0.00 -0.15 0.00 0.00 58.65 58.14 1ijg h GLN 16 Cb 0.32 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 1ijg h GLN 16 CO 0.02 1.02 0.19 0.00 -2.65 0.00 0.00 178.83 177.41 1ijg h ARG 17 N 0.45 0.54 0.00 1.69 3.08 -1.02 0.16 114.38 119.28 1ijg h ARG 17 Ca 0.03 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 1ijg h ARG 17 Cb 0.93 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1ijg h ARG 17 CO 0.08 0.42 -0.64 1.96 -1.07 0.00 0.00 179.97 180.72 1ijg h GLN 18 N 0.55 0.00 -0.04 0.04 4.20 -1.16 -1.63 115.11 117.06 1ijg h GLN 18 Ca 0.14 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.71 1ijg h GLN 18 Cb 0.05 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.84 1ijg h GLN 18 CO -0.02 0.64 -0.51 -0.22 -0.67 0.00 0.00 178.83 178.05 1ijg h LYS 19 N 0.00 0.42 -0.37 1.46 3.64 0.15 -0.96 116.57 120.91 1ijg h LYS 19 Ca -0.01 -0.40 -0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1ijg h LYS 19 Cb 1.32 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 1ijg h LYS 19 CO 0.08 1.05 0.03 -0.09 -2.27 0.00 0.00 179.45 178.26 1ijg h ARG 20 N -0.07 0.57 -0.21 1.90 2.43 -0.78 -1.37 114.38 116.86 1ijg h ARG 20 Ca -0.05 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 58.88 1ijg h ARG 20 Cb 1.20 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1ijg h ARG 20 CO 0.10 0.58 -0.39 -0.97 -1.51 0.00 0.00 179.97 177.78 1ijg h ASN 21 N 0.55 0.49 -0.89 -3.80 -1.24 -1.24 0.29 115.58 109.75 1ijg h ASN 21 Ca 0.12 -0.21 -0.02 0.00 0.71 0.00 0.00 56.30 56.90 1ijg h ASN 21 Cb 0.31 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 1ijg h ASN 21 CO 0.01 0.84 0.46 0.03 -1.29 0.00 0.00 177.43 177.48 1ijg h ARG 22 N 0.39 1.25 -0.13 6.67 2.47 -0.10 0.80 114.38 125.74 1ijg h ARG 22 Ca 0.04 -0.16 -0.23 0.00 -1.26 0.00 0.00 59.98 58.37 1ijg h ARG 22 Cb 0.86 -0.24 0.01 0.00 -1.65 0.00 0.00 29.97 28.95 1ijg h ARG 22 CO 0.07 0.93 -0.82 -1.49 0.56 0.00 0.00 179.97 179.23 1ijg h TRP 23 N 1.25 1.06 -0.21 3.04 4.06 -1.04 -1.43 115.95 122.69 1ijg h TRP 23 Ca 0.31 -0.48 0.04 0.00 2.06 0.00 0.00 58.89 60.81 1ijg h TRP 23 Cb 0.06 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.03 1ijg h TRP 23 CO 0.01 1.32 -0.02 0.35 -3.56 0.00 0.00 178.44 176.54 1ijg h PHE 24 N 0.52 -0.05 -0.81 0.49 3.57 -0.53 -0.68 116.94 119.46 1ijg h PHE 24 Ca -0.06 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1ijg h PHE 24 Cb 1.45 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 40.20 1ijg h PHE 24 CO 0.09 -0.05 0.53 0.82 -2.23 0.00 0.00 178.31 177.47 1ijg h ILE 25 N 0.04 1.21 -0.06 1.41 1.08 -0.82 0.17 117.51 120.55 1ijg h ILE 25 Ca 0.10 -0.39 0.03 0.00 -0.39 0.00 0.00 64.86 64.22 1ijg h ILE 25 Cb 0.13 0.02 -0.04 0.00 -3.07 0.00 0.00 36.82 33.86 1ijg h ILE 25 CO -0.18 0.20 -0.19 -0.74 -0.69 0.00 0.00 178.15 176.55 1ijg h HIS 26 N 1.10 -0.48 -0.39 1.37 -0.00 -0.40 -0.53 115.15 115.82 1ijg h HIS 26 Ca 0.30 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.58 1ijg h HIS 26 Cb -0.12 0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 1ijg h HIS 26 CO -0.02 -0.26 -0.20 1.88 -0.00 0.00 0.00 177.93 179.33 1ijg h TYR 27 N -0.27 0.85 -0.24 5.26 -1.99 -0.84 -0.79 116.97 118.96 1ijg h TYR 27 Ca 0.07 -0.18 -0.01 0.00 2.00 0.00 0.00 58.73 60.61 1ijg h TYR 27 Cb 0.38 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 1ijg h TYR 27 CO -0.26 0.89 0.11 1.25 -0.00 0.00 0.00 178.16 180.15 1ijg h LEU 28 N 0.66 0.32 -0.63 3.88 7.12 -0.68 0.21 115.31 126.19 1ijg h LEU 28 Ca 0.10 -0.14 -0.14 0.00 0.13 0.00 0.00 57.88 57.83 1ijg h LEU 28 Cb 0.70 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.74 1ijg h LEU 28 CO 0.05 0.37 -0.40 0.78 -0.13 0.00 0.00 178.44 179.12 1ijg h ASN 29 N 0.24 0.67 -0.24 1.25 2.35 -1.05 -0.47 115.58 118.33 1ijg h ASN 29 Ca 0.08 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 1ijg h ASN 29 Cb 0.14 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1ijg h ASN 29 CO -0.01 0.99 0.02 0.22 -1.65 0.00 0.00 177.43 177.00 1ijg h TYR 30 N 0.52 0.44 -0.56 1.19 3.20 -0.95 0.00 116.97 120.82 1ijg h TYR 30 Ca 0.04 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1ijg h TYR 30 Cb 0.91 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 1ijg h TYR 30 CO 0.04 0.56 0.27 -0.07 -1.64 0.00 0.00 178.16 177.32 1ijg h LEU 31 N 0.20 0.73 -0.01 2.82 3.38 -0.50 -1.33 115.31 120.59 1ijg h LEU 31 Ca 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ijg h LEU 31 Cb 0.37 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ijg h LEU 31 CO 0.01 0.65 0.00 1.56 0.09 0.00 0.00 178.44 180.75 1ijg h GLN 32 N 0.75 0.01 -0.72 1.13 4.20 -0.92 0.11 115.11 119.68 1ijg h GLN 32 Ca 0.19 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.98 1ijg h GLN 32 Cb 0.11 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 1ijg h GLN 32 CO -0.02 0.05 0.47 0.66 -0.67 0.00 0.00 178.83 179.32 1ijg h SER 33 N -0.03 0.60 -0.19 1.46 4.64 -0.78 0.92 113.55 120.17 1ijg h SER 33 Ca 0.00 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1ijg h SER 33 Cb 0.04 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1ijg h SER 33 CO -0.00 0.38 -0.47 -0.07 -0.87 0.00 0.00 176.83 175.79 1ijg h LEU 34 N 0.68 0.75 0.30 5.97 3.38 -0.74 -3.02 115.31 122.63 1ijg h LEU 34 Ca 0.32 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1ijg h LEU 34 Cb 0.36 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ijg h LEU 34 CO -0.11 1.18 -0.15 0.00 0.09 0.00 0.00 178.44 179.46 1ijg h ALA 35 N 0.58 -0.41 -0.68 1.53 0.00 0.23 -3.09 119.26 117.43 1ijg h ALA 35 Ca -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ijg h ALA 35 Cb 1.09 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1ijg h ALA 35 CO 0.10 -0.68 0.45 1.88 0.00 0.00 0.00 179.25 181.01 1ijg h TYR 36 N -0.52 0.63 0.00 0.00 0.05 -0.95 -1.27 116.97 114.91 1ijg h TYR 36 Ca -0.04 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1ijg h TYR 36 Cb 0.39 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.92 1ijg h TYR 36 CO -0.03 0.31 0.00 0.00 -1.05 0.00 0.00 178.16 177.39 1ijg n GLN 37 N -4.48 0.05 0.00 4.88 -0.00 -1.14 -4.50 117.38 112.19 1ijg n GLN 37 Ca 0.11 0.13 0.00 0.00 -0.00 0.00 0.00 57.00 57.23 1ijg n GLN 37 Cb 0.31 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.05 1ijg n GLN 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ijg n LEU 38 N -1.46 0.00 -4.89 2.61 4.32 -0.48 -4.80 117.00 112.30 1ijg n LEU 38 Ca 0.06 0.95 -0.31 0.00 -0.02 0.00 0.00 56.01 56.69 1ijg n LEU 38 Cb 0.23 -0.45 -0.05 0.00 -1.62 0.00 0.00 43.42 41.54 1ijg n LEU 38 CO 0.19 -0.45 0.15 -0.36 -1.22 0.00 0.00 177.39 175.70 1ijg s PHE 39 N -2.80 3.45 -0.09 -1.77 0.08 -1.26 -1.88 117.98 113.71 1ijg s PHE 39 Ca 0.00 0.73 0.03 0.00 0.12 0.00 0.00 56.93 57.81 1ijg s PHE 39 Cb 0.00 -2.15 0.01 0.00 -0.57 0.00 0.00 43.02 40.30 1ijg s PHE 39 CO 0.00 0.30 -0.19 -1.21 -0.10 0.00 0.00 175.22 174.02 1ijg s GLU 40 N -2.90 2.53 0.03 0.44 2.02 -0.14 -4.71 118.70 115.97 1ijg s GLU 40 Ca 0.45 -0.70 -0.00 0.00 0.02 0.00 0.00 54.97 54.74 1ijg s GLU 40 Cb -0.11 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 1ijg s GLU 40 CO 0.24 0.11 0.14 -1.58 0.02 0.00 0.00 175.26 174.18 1ijg s TRP 41 N 0.50 3.38 0.07 1.61 0.52 -1.26 -2.00 118.94 121.77 1ijg s TRP 41 Ca -0.16 0.23 0.05 0.00 0.02 0.00 0.00 56.10 56.23 1ijg s TRP 41 Cb -0.17 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 1ijg s TRP 41 CO 0.06 0.58 -0.14 -1.83 0.02 0.00 0.00 176.95 175.64 1ijg s GLU 42 N -2.12 0.80 -1.28 4.98 -1.05 0.22 -4.80 118.70 115.46 1ijg s GLU 42 Ca 0.28 -0.93 -0.02 0.00 -0.15 0.00 0.00 54.97 54.16 1ijg s GLU 42 Cb -0.12 -0.80 0.00 0.00 -0.44 0.00 0.00 34.13 32.77 1ijg s GLU 42 CO 0.20 0.18 0.21 0.09 0.95 0.00 0.00 175.26 176.89 1ijg n ASN 43 N 1.32 -4.88 -4.77 0.83 5.03 -1.26 -1.27 115.26 110.26 1ijg n ASN 43 Ca -0.21 -0.11 -0.39 0.00 0.87 0.00 0.00 54.58 54.74 1ijg n ASN 43 Cb 0.54 -3.88 -0.06 0.00 -1.02 0.00 0.00 39.78 35.36 1ijg n ASN 43 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ijg s LEU 44 N -4.84 4.58 0.26 3.41 1.02 -1.26 -4.12 118.68 117.73 1ijg s LEU 44 Ca 0.10 1.81 -0.31 0.00 0.02 0.00 0.00 54.13 55.76 1ijg s LEU 44 Cb -0.05 -3.55 -0.13 0.00 0.02 0.00 0.00 46.19 42.48 1ijg s LEU 44 CO 0.13 0.14 1.44 -2.65 0.02 0.00 0.00 176.35 175.43 1ijg n PRO 45 N 1.38 2.17 0.24 1.29 -0.02 -1.26 -4.79 135.00 134.02 1ijg n PRO 45 Ca -0.03 0.77 0.09 0.00 -2.02 0.00 0.00 63.50 62.31 1ijg n PRO 45 Cb 0.48 -2.45 0.47 0.00 -0.02 0.00 0.00 33.50 31.98 1ijg n PRO 45 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ijg h PRO 46 N 4.25 0.00 -0.00 0.52 0.13 -1.97 0.23 132.00 135.17 1ijg h PRO 46 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ijg h PRO 46 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ijg h PRO 46 CO 0.76 0.00 -0.04 -2.37 -0.23 0.00 0.00 178.00 176.12 1ijg n THR 47 N -2.38 0.00 -4.16 1.56 5.66 -1.26 -4.78 114.28 108.92 1ijg n THR 47 Ca -0.01 -0.04 -0.34 0.00 -3.05 0.00 0.00 64.05 60.61 1ijg n THR 47 Cb 0.44 -0.29 -0.11 0.00 -1.55 0.00 0.00 70.33 68.81 1ijg n THR 47 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1ijg s ILE 48 N -2.35 4.25 -0.47 1.09 1.01 0.82 -4.66 121.20 120.89 1ijg s ILE 48 Ca 0.35 -0.22 -0.22 0.00 0.00 0.00 0.00 60.65 60.55 1ijg s ILE 48 Cb 0.21 -2.90 0.03 0.00 0.01 0.00 0.00 42.46 39.81 1ijg s ILE 48 CO 0.43 0.46 0.77 0.21 0.00 0.00 0.00 174.94 176.81 1ijg s ASN 49 N 0.58 6.36 0.23 3.58 3.04 -1.26 -4.88 114.94 122.60 1ijg s ASN 49 Ca 0.00 -0.27 -0.06 0.00 0.04 0.00 0.00 52.86 52.57 1ijg s ASN 49 Cb -0.14 -2.37 0.37 0.00 -1.54 0.00 0.00 41.25 37.57 1ijg s ASN 49 CO 0.02 -0.95 1.78 -0.65 -3.04 0.00 0.00 177.10 174.27 1ijg h PRO 50 N 9.02 0.63 0.19 0.43 0.11 -1.97 0.18 132.00 140.59 1ijg h PRO 50 Ca -0.25 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ijg h PRO 50 Cb 1.09 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1ijg h PRO 50 CO 0.97 0.42 -0.17 1.03 -0.21 0.00 0.00 178.00 180.04 1ijg h SER 51 N 0.65 -0.44 -0.99 -2.05 0.87 -1.99 -2.08 113.55 107.52 1ijg h SER 51 Ca 0.37 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.98 1ijg h SER 51 Cb 0.40 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.46 1ijg h SER 51 CO -0.28 -0.26 0.65 0.15 -0.53 0.00 0.00 176.83 176.57 1ijg h PHE 52 N -0.38 1.25 0.32 2.24 3.57 -1.87 -1.40 116.94 120.66 1ijg h PHE 52 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1ijg h PHE 52 Cb 0.35 -0.42 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1ijg h PHE 52 CO -0.13 0.79 -0.43 1.25 -2.23 0.00 0.00 178.31 177.56 1ijg h LEU 53 N 1.34 -1.20 -0.43 0.59 7.12 -0.58 -1.89 115.31 120.27 1ijg h LEU 53 Ca 0.36 0.11 -0.10 0.00 0.13 0.00 0.00 57.88 58.38 1ijg h LEU 53 Cb -0.15 0.42 -0.01 0.00 -0.53 0.00 0.00 40.66 40.39 1ijg h LEU 53 CO -0.08 -0.55 -0.12 -0.33 -0.13 0.00 0.00 178.44 177.23 1ijg h GLU 54 N -0.79 0.83 -0.53 1.25 4.39 -1.26 -2.50 114.58 115.98 1ijg h GLU 54 Ca -0.02 -0.33 0.06 0.00 0.34 0.00 0.00 59.36 59.41 1ijg h GLU 54 Cb 0.74 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 1ijg h GLU 54 CO -0.13 0.96 0.35 -0.22 -1.16 0.00 0.00 179.01 178.81 1ijg h LYS 55 N 0.66 0.46 -0.10 2.33 3.64 -1.21 -1.58 116.57 120.77 1ijg h LYS 55 Ca 0.11 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 1ijg h LYS 55 Cb 0.66 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1ijg h LYS 55 CO 0.05 0.30 -0.39 0.77 -2.27 0.00 0.00 179.45 177.91 1ijg h SER 56 N 0.47 0.51 -0.21 4.20 0.02 -1.15 -1.17 113.55 116.22 1ijg h SER 56 Ca 0.23 -0.63 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 1ijg h SER 56 Cb 0.30 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1ijg h SER 56 CO -0.06 1.06 0.11 0.40 -1.14 0.00 0.00 176.83 177.19 1ijg h ILE 57 N -0.00 1.10 0.16 3.27 2.04 -0.97 -0.93 117.51 122.17 1ijg h ILE 57 Ca -0.02 -0.28 -0.31 0.00 1.00 0.00 0.00 64.86 65.25 1ijg h ILE 57 Cb 1.03 0.79 0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1ijg h ILE 57 CO 0.08 0.11 -1.31 0.45 0.00 0.00 0.00 178.15 177.49 1ijg h HIS 58 N 0.34 0.97 0.01 1.37 3.86 -1.27 -1.77 115.15 118.68 1ijg h HIS 58 Ca 0.09 -0.64 -0.20 0.00 -1.16 0.00 0.00 60.37 58.46 1ijg h HIS 58 Cb 0.06 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1ijg h HIS 58 CO 0.00 1.48 -0.90 1.96 0.86 0.00 0.00 177.93 181.34 1ijg h GLN 59 N 0.23 0.17 0.00 2.45 4.20 -0.90 -1.24 115.11 120.02 1ijg h GLN 59 Ca -0.20 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 1ijg h GLN 59 Cb 1.98 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.82 1ijg h GLN 59 CO 0.25 0.95 -1.40 1.19 -0.67 0.00 0.00 178.83 179.15 1ijg n PHE 60 N -3.63 0.00 0.00 2.96 3.01 -0.38 -4.85 117.46 114.57 1ijg n PHE 60 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1ijg n PHE 60 Cb 0.82 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 1ijg n PHE 60 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ijg n GLY 61 N 2.05 0.36 3.61 1.37 0.00 -0.67 -4.52 105.19 107.38 1ijg n GLY 61 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1ijg n GLY 61 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ijg s TYR 62 N -2.00 -0.09 0.03 1.61 1.13 -1.20 -0.29 117.35 116.53 1ijg s TYR 62 Ca 0.00 0.02 -0.07 0.00 -1.41 0.00 0.00 57.07 55.61 1ijg s TYR 62 Cb 0.00 0.53 -0.00 0.00 -1.10 0.00 0.00 41.96 41.38 1ijg s TYR 62 CO 0.00 -0.23 0.13 0.14 -2.51 0.00 0.00 175.55 173.08 1ijg s VAL 63 N -2.42 0.11 0.01 -3.49 -7.23 -0.82 -4.29 120.40 102.27 1ijg s VAL 63 Ca 0.11 -0.94 -0.16 0.00 -1.81 0.00 0.00 61.98 59.19 1ijg s VAL 63 Cb 0.01 -0.78 -0.06 0.00 0.56 0.00 0.00 36.38 36.12 1ijg s VAL 63 CO -0.04 -0.52 0.44 -0.83 -0.31 0.00 0.00 175.10 173.84 1ijg s GLY 64 N -1.92 2.51 -0.38 2.32 0.00 0.18 -1.12 107.32 108.91 1ijg s GLY 64 Ca -0.08 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.50 1ijg s GLY 64 CO -0.03 0.23 0.11 -0.12 0.00 0.00 0.00 173.10 173.29 1ijg s PHE 65 N -1.00 3.26 -0.01 1.90 2.19 0.66 -0.46 117.98 124.51 1ijg s PHE 65 Ca 0.25 -2.83 0.06 0.00 0.33 0.00 0.00 56.93 54.73 1ijg s PHE 65 Cb -0.17 -2.68 -0.02 0.00 -1.31 0.00 0.00 43.02 38.85 1ijg s PHE 65 CO 0.14 -0.89 -0.19 -0.47 1.83 0.00 0.00 175.22 175.64 1ijg s TYR 66 N 0.73 1.69 -0.93 10.12 5.04 -0.66 -1.25 117.35 132.10 1ijg s TYR 66 Ca 0.12 -0.32 -0.17 0.00 -2.44 0.00 0.00 57.07 54.26 1ijg s TYR 66 Cb -0.20 -1.08 0.16 0.00 0.35 0.00 0.00 41.96 41.18 1ijg s TYR 66 CO -0.08 -0.02 1.05 0.21 -1.34 0.00 0.00 175.55 175.37 1ijg s LYS 67 N -0.48 3.65 0.25 4.97 2.20 -1.26 -0.26 119.74 128.80 1ijg s LYS 67 Ca 0.07 -2.03 -0.30 0.00 -0.36 0.00 0.00 55.97 53.35 1ijg s LYS 67 Cb -0.07 -4.79 -0.10 0.00 -1.51 0.00 0.00 37.83 31.35 1ijg s LYS 67 CO -0.01 -1.64 1.51 0.34 -0.36 0.00 0.00 175.35 175.19 1ijg s ASP 68 N 3.15 6.56 0.57 1.43 2.15 -0.42 -4.80 116.67 125.30 1ijg s ASP 68 Ca 0.30 2.75 0.33 0.00 0.43 0.00 0.00 52.55 56.36 1ijg s ASP 68 Cb -0.06 -2.62 1.67 0.00 -0.30 0.00 0.00 42.92 41.61 1ijg s ASP 68 CO -0.09 -0.79 2.12 -0.65 -0.17 0.00 0.00 175.17 175.60 1ijg h PRO 69 N 5.23 0.00 0.00 4.34 0.11 -1.95 0.21 132.00 139.94 1ijg h PRO 69 Ca -0.46 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1ijg h PRO 69 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1ijg h PRO 69 CO 0.80 0.06 -0.94 0.28 -0.21 0.00 0.00 178.00 177.99 1ijg n VAL 70 N -3.35 1.47 0.21 3.15 0.31 -1.26 -4.65 118.33 114.22 1ijg n VAL 70 Ca -0.01 0.13 0.11 0.00 -0.01 0.00 0.00 64.34 64.55 1ijg n VAL 70 Cb 0.22 -2.32 0.27 0.00 -0.91 0.00 0.00 33.84 31.09 1ijg n VAL 70 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1ijg n ILE 71 N -4.50 0.69 -4.46 2.52 -5.35 -1.25 -5.07 119.36 101.93 1ijg n ILE 71 Ca -0.15 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.57 1ijg n ILE 71 Cb 0.46 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 1ijg n ILE 71 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1ijg n SER 72 N 1.28 -1.82 -4.65 7.28 2.88 0.06 -4.82 113.62 113.83 1ijg n SER 72 Ca 0.20 0.00 -0.47 0.00 -1.33 0.00 0.00 58.87 57.27 1ijg n SER 72 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 1ijg n SER 72 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1ijg n TYR 73 N -0.29 2.02 -3.78 0.66 4.02 -1.26 -1.30 117.16 117.22 1ijg n TYR 73 Ca 0.00 0.41 -0.13 0.00 -0.01 0.00 0.00 57.90 58.17 1ijg n TYR 73 Cb 0.00 -2.46 -0.11 0.00 -0.02 0.00 0.00 39.34 36.75 1ijg n TYR 73 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 1ijg s ILE 74 N 0.52 0.02 -0.21 -0.72 2.07 0.64 -4.32 121.20 119.19 1ijg s ILE 74 Ca 0.77 -0.15 -0.12 0.00 -1.41 0.00 0.00 60.65 59.73 1ijg s ILE 74 Cb -0.74 -0.44 -0.05 0.00 0.13 0.00 0.00 42.46 41.36 1ijg s ILE 74 CO 0.43 -0.08 0.24 0.00 -1.91 0.00 0.00 174.94 173.62 1ijg s ALA 75 N -0.27 3.61 0.03 1.50 0.00 -1.26 -1.65 121.76 123.72 1ijg s ALA 75 Ca -0.04 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 1ijg s ALA 75 Cb -0.03 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 1ijg s ALA 75 CO 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 175.76 175.66 1ijg s ASN 77 N -1.96 6.20 0.00 0.00 0.01 -1.26 0.48 114.94 118.41 1ijg s ASN 77 Ca -0.08 0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 1ijg s ASN 77 Cb -0.04 -1.87 0.00 0.00 0.41 0.00 0.00 41.25 39.75 1ijg s ASN 77 CO -0.04 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.33 1ijg n GLY 78 N 0.35 0.93 3.63 0.66 0.00 -1.26 -2.77 105.19 106.73 1ijg n GLY 78 Ca -0.06 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 1ijg n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ijg s ALA 79 N -1.00 3.11 -0.29 4.61 0.00 -1.08 -4.93 121.76 122.18 1ijg s ALA 79 Ca 0.00 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 50.50 1ijg s ALA 79 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1ijg s ALA 79 CO 0.00 0.55 0.31 -0.51 0.00 0.00 0.00 175.76 176.11 1ijg s LEU 80 N -2.65 4.15 0.00 0.00 1.43 -1.26 -1.02 118.68 119.34 1ijg s LEU 80 Ca 0.25 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1ijg s LEU 80 Cb -0.10 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1ijg s LEU 80 CO 0.17 -0.18 0.00 -0.24 0.23 0.00 0.00 176.35 176.32 1ijg n SER 81 N 5.25 0.78 0.00 2.29 2.88 0.88 -4.99 113.62 120.72 1ijg n SER 81 Ca -0.10 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1ijg n SER 81 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1ijg n SER 81 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ijg n GLY 82 N 1.94 -1.26 3.72 0.46 0.00 -1.26 -1.42 105.19 107.37 1ijg n GLY 82 Ca 0.00 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1ijg n GLY 82 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ijg s GLN 83 N -2.18 4.29 0.30 1.61 0.74 -1.26 -4.60 119.66 118.55 1ijg s GLN 83 Ca 0.00 2.16 -0.29 0.00 0.05 0.00 0.00 55.36 57.28 1ijg s GLN 83 Cb 0.00 -3.21 -0.10 0.00 1.10 0.00 0.00 33.01 30.80 1ijg s GLN 83 CO 0.00 -0.48 1.28 1.03 -0.55 0.00 0.00 175.29 176.57 1ijg s ARG 84 N 1.02 4.41 0.23 1.67 1.81 -1.26 -4.08 118.95 122.75 1ijg s ARG 84 Ca 0.66 2.12 -0.04 0.00 -1.72 0.00 0.00 55.73 56.75 1ijg s ARG 84 Cb -0.39 -3.11 0.05 0.00 -0.45 0.00 0.00 34.95 31.05 1ijg s ARG 84 CO 0.31 -0.14 0.30 -0.40 -0.68 0.00 0.00 175.30 174.69 1ijg n ASP 85 N 1.24 -0.07 0.06 0.23 5.68 -0.65 -4.77 116.55 118.26 1ijg n ASP 85 Ca 0.01 -1.08 0.20 0.00 -0.50 0.00 0.00 54.79 53.43 1ijg n ASP 85 Cb 0.42 -0.23 0.74 0.00 -1.14 0.00 0.00 41.12 40.91 1ijg n ASP 85 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1ijg h VAL 86 N -1.22 0.49 -0.62 2.12 -1.51 -1.96 0.16 116.25 113.71 1ijg h VAL 86 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1ijg h VAL 86 Cb 0.27 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 1ijg h VAL 86 CO 0.07 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.19 1ijg n TYR 87 N -3.94 1.67 -1.32 5.19 0.53 -1.26 -4.93 117.16 113.10 1ijg n TYR 87 Ca 0.08 -0.65 -0.11 0.00 -1.02 0.00 0.00 57.90 56.20 1ijg n TYR 87 Cb 0.60 -0.33 -0.05 0.00 -1.03 0.00 0.00 39.34 38.54 1ijg n TYR 87 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1ijg n ASN 88 N 0.95 -5.47 -4.86 7.72 4.05 0.55 -4.97 115.26 113.23 1ijg n ASN 88 Ca 0.26 0.27 -0.31 0.00 0.45 0.00 0.00 54.58 55.25 1ijg n ASN 88 Cb 0.99 -3.94 -0.04 0.00 1.23 0.00 0.00 39.78 38.02 1ijg n ASN 88 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 1ijg s GLN 89 N -2.85 3.89 0.52 1.20 0.74 -1.26 -4.69 119.66 117.21 1ijg s GLN 89 Ca 0.00 0.65 -0.20 0.00 0.05 0.00 0.00 55.36 55.86 1ijg s GLN 89 Cb 0.00 -2.33 -0.06 0.00 1.10 0.00 0.00 33.01 31.71 1ijg s GLN 89 CO 0.00 -0.04 1.13 0.00 -0.55 0.00 0.00 175.29 175.83 1ijg s ALA 90 N -2.33 2.77 -0.04 1.58 0.00 -1.26 -1.64 121.76 120.84 1ijg s ALA 90 Ca 0.54 0.83 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1ijg s ALA 90 Cb -0.10 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1ijg s ALA 90 CO 0.27 -0.71 0.07 0.25 0.00 0.00 0.00 175.76 175.64 1ijg n THR 91 N -1.09 0.00 -4.62 0.00 -2.24 -1.07 -4.84 114.28 100.43 1ijg n THR 91 Ca 0.10 -0.17 -0.24 0.00 -2.27 0.00 0.00 64.05 61.47 1ijg n THR 91 Cb 0.50 0.61 -0.16 0.00 -2.10 0.00 0.00 70.33 69.19 1ijg n THR 91 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ijg s VAL 92 N -1.89 1.14 -0.29 2.28 1.01 -0.51 0.01 120.40 122.16 1ijg s VAL 92 Ca -0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1ijg s VAL 92 Cb 0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 1ijg s VAL 92 CO 0.10 0.34 0.08 0.12 0.00 0.00 0.00 175.10 175.75 1ijg s PHE 93 N 0.27 3.13 -1.12 5.22 5.36 -0.11 -0.08 117.98 130.65 1ijg s PHE 93 Ca -0.07 -0.82 -0.05 0.00 -0.96 0.00 0.00 56.93 55.03 1ijg s PHE 93 Cb -0.12 -2.26 0.28 0.00 -0.34 0.00 0.00 43.02 40.59 1ijg s PHE 93 CO 0.02 -0.52 1.55 0.54 -1.46 0.00 0.00 175.22 175.35 1ijg n ARG 94 N 4.89 4.30 -2.17 10.12 1.74 -0.19 -2.34 116.66 133.01 1ijg n ARG 94 Ca -0.15 -4.36 -0.42 0.00 -0.77 0.00 0.00 57.85 52.15 1ijg n ARG 94 Cb 0.49 -2.59 -0.03 0.00 -1.02 0.00 0.00 32.46 29.31 1ijg n ARG 94 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ijg s ALA 95 N -2.15 3.59 -0.30 7.54 0.00 -0.69 -2.62 121.76 127.14 1ijg s ALA 95 Ca 0.33 1.02 -0.20 0.00 0.00 0.00 0.00 51.96 53.11 1ijg s ALA 95 Cb 0.05 -3.58 0.19 0.00 0.00 0.00 0.00 23.12 19.78 1ijg s ALA 95 CO 0.08 -0.79 1.27 0.00 0.00 0.00 0.00 175.76 176.33 1ijg s ALA 96 N 1.82 -2.41 0.00 0.00 0.00 -1.12 -0.07 121.76 119.98 1ijg s ALA 96 Ca 0.65 1.89 0.00 0.00 0.00 0.00 0.00 51.96 54.50 1ijg s ALA 96 Cb -0.35 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1ijg s ALA 96 CO 0.29 -0.24 0.00 0.45 0.00 0.00 0.00 175.76 176.26 1ijg n SER 97 N 2.56 0.00 0.00 0.00 2.88 -1.05 -4.78 113.62 113.22 1ijg n SER 97 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1ijg n SER 97 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1ijg n SER 97 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ijg n PRO 98 N 0.00 0.00 -0.41 -1.46 -0.04 -1.26 -4.77 135.00 127.06 1ijg n PRO 98 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1ijg n PRO 98 Cb 0.00 0.00 0.31 0.00 -0.04 0.00 0.00 33.50 33.77 1ijg n PRO 98 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1ijg n VAL 99 N 0.00 1.13 -4.48 0.52 0.24 -1.26 -4.84 118.33 109.64 1ijg n VAL 99 Ca 0.00 -0.95 -0.24 0.00 -2.04 0.00 0.00 64.34 61.11 1ijg n VAL 99 Cb 0.00 0.34 -0.17 0.00 -1.47 0.00 0.00 33.84 32.55 1ijg n VAL 99 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1ijg s TYR 100 N -1.32 1.30 -0.11 6.34 5.04 -1.26 -5.11 117.35 122.23 1ijg s TYR 100 Ca 0.46 -0.47 -0.04 0.00 -2.44 0.00 0.00 57.07 54.58 1ijg s TYR 100 Cb 0.25 -0.98 0.06 0.00 0.35 0.00 0.00 41.96 41.64 1ijg s TYR 100 CO 0.28 -0.26 0.21 -1.14 -1.34 0.00 0.00 175.55 173.30 1ijg s GLN 101 N 0.74 0.09 0.10 4.97 -0.44 -1.26 -2.54 119.66 121.32 1ijg s GLN 101 Ca -0.13 0.64 -0.25 0.00 -2.50 0.00 0.00 55.36 53.11 1ijg s GLN 101 Cb -0.15 -0.19 0.08 0.00 -1.64 0.00 0.00 33.01 31.11 1ijg s GLN 101 CO 0.03 -0.31 0.72 0.21 0.50 0.00 0.00 175.29 176.44 1ijg s LYS 102 N 2.36 1.10 0.03 1.67 2.20 0.90 -4.97 119.74 123.03 1ijg s LYS 102 Ca 0.02 -0.41 0.06 0.00 -0.36 0.00 0.00 55.97 55.29 1ijg s LYS 102 Cb -0.12 0.50 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 1ijg s LYS 102 CO -0.07 -0.48 -0.18 -1.21 -0.36 0.00 0.00 175.35 173.04 1ijg s GLU 103 N -3.50 1.27 -0.01 4.03 0.41 -1.26 -1.71 118.70 117.93 1ijg s GLU 103 Ca 0.03 -0.83 -0.29 0.00 -0.41 0.00 0.00 54.97 53.46 1ijg s GLU 103 Cb -0.01 -1.33 0.07 0.00 -1.78 0.00 0.00 34.13 31.08 1ijg s GLU 103 CO -0.11 0.34 0.65 -0.59 -0.49 0.00 0.00 175.26 175.06 1ijg s PHE 104 N -0.74 -0.62 0.42 1.61 -0.71 -0.99 -5.00 117.98 111.95 1ijg s PHE 104 Ca 0.06 0.96 -0.23 0.00 -1.04 0.00 0.00 56.93 56.68 1ijg s PHE 104 Cb -0.08 0.42 -0.09 0.00 -1.21 0.00 0.00 43.02 42.06 1ijg s PHE 104 CO 0.01 -0.64 1.04 0.15 -1.34 0.00 0.00 175.22 174.44 1ijg s LYS 105 N -1.61 4.08 -0.14 1.99 3.01 -1.26 -0.93 119.74 124.89 1ijg s LYS 105 Ca -0.09 1.46 -0.12 0.00 -1.01 0.00 0.00 55.97 56.20 1ijg s LYS 105 Cb -0.00 -2.42 -0.05 0.00 -1.01 0.00 0.00 37.83 34.35 1ijg s LYS 105 CO 0.06 -0.20 0.26 -0.51 0.51 0.00 0.00 175.35 175.47 1ijg s LEU 106 N -2.86 4.29 -1.15 3.17 1.43 0.10 -0.02 118.68 123.65 1ijg s LEU 106 Ca 0.60 0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 54.05 1ijg s LEU 106 Cb -0.20 -2.31 0.11 0.00 0.03 0.00 0.00 46.19 43.82 1ijg s LEU 106 CO 0.25 0.19 1.46 -0.47 0.23 0.00 0.00 176.35 178.02 1ijg s TYR 107 N -0.00 3.05 0.00 0.29 6.04 0.65 -4.89 117.35 122.49 1ijg s TYR 107 Ca 0.16 -1.62 0.00 0.00 0.04 0.00 0.00 57.07 55.65 1ijg s TYR 107 Cb -0.13 -4.50 0.00 0.00 -1.04 0.00 0.00 41.96 36.29 1ijg s TYR 107 CO 0.04 -1.63 0.00 0.09 -1.54 0.00 0.00 175.55 172.52 1ijg n ASN 108 N 7.17 0.00 -1.90 4.32 5.03 -1.26 -4.84 115.26 123.78 1ijg n ASN 108 Ca 0.37 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.60 1ijg n ASN 108 Cb 0.46 0.00 0.10 0.00 -1.02 0.00 0.00 39.78 39.32 1ijg n ASN 108 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1ijg n TYR 109 N 0.00 2.48 -2.67 3.10 4.01 -1.26 -5.00 117.16 117.82 1ijg n TYR 109 Ca 0.00 -2.30 -0.39 0.00 -0.16 0.00 0.00 57.90 55.05 1ijg n TYR 109 Cb 0.00 -0.78 -0.05 0.00 -0.31 0.00 0.00 39.34 38.20 1ijg n TYR 109 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1ijg s ARG 110 N -3.56 4.71 0.09 -0.72 0.52 -1.26 -4.95 118.95 113.78 1ijg s ARG 110 Ca 0.54 1.55 0.20 0.00 -0.52 0.00 0.00 55.73 57.50 1ijg s ARG 110 Cb 0.45 -3.13 0.83 0.00 0.52 0.00 0.00 34.95 33.62 1ijg s ARG 110 CO 0.02 0.35 1.63 -0.40 0.02 0.00 0.00 175.30 176.92 1ijg n ASP 111 N 1.16 0.25 0.00 0.23 3.85 -1.26 -4.87 116.55 115.90 1ijg n ASP 111 Ca -0.01 0.55 0.00 0.00 -0.71 0.00 0.00 54.79 54.62 1ijg n ASP 111 Cb 0.47 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.63 1ijg n ASP 111 CO 0.00 0.00 0.00 0.80 -1.01 0.00 0.00 177.20 176.99 1ijg n MET 112 N -1.76 0.00 0.00 0.11 0.00 -1.26 -5.19 117.12 109.01 1ijg n MET 112 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1ijg n MET 112 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.45 1ijg n MET 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1ijg n LYS 113 N -0.21 0.00 -0.73 2.12 3.00 -1.26 -5.16 118.16 115.91 1ijg n LYS 113 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 1ijg n LYS 113 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 35.03 35.18 1ijg n LYS 113 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1ijg n GLU 114 N -0.06 -0.52 0.00 1.64 0.28 -1.26 -5.03 120.64 115.69 1ijg n GLU 114 Ca 0.00 -0.10 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1ijg n GLU 114 Cb 0.00 -2.05 0.00 0.00 1.43 0.00 0.00 31.44 30.82 1ijg n GLU 114 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1ijg n GLU 115 N -2.79 2.51 -1.74 3.44 0.00 -1.26 -4.35 120.64 116.45 1ijg n GLU 115 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 57.04 1ijg n GLU 115 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.90 1ijg n GLU 115 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1ijg n ASP 116 N 0.00 -5.41 -4.94 -1.84 2.03 -1.26 -4.93 116.55 100.20 1ijg n ASP 116 Ca 0.00 0.41 -0.26 0.00 0.52 0.00 0.00 54.79 55.45 1ijg n ASP 116 Cb 0.00 -4.74 -0.03 0.00 -0.72 0.00 0.00 41.12 35.63 1ijg n ASP 116 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1ijg s MET 117 N -3.96 3.48 0.41 -0.67 1.75 -1.26 -4.17 119.30 114.88 1ijg s MET 117 Ca 0.00 -0.48 0.04 0.00 -1.25 0.00 0.00 55.69 54.00 1ijg s MET 117 Cb 0.00 -2.90 -0.02 0.00 2.84 0.00 0.00 34.83 34.75 1ijg s MET 117 CO 0.00 0.45 0.12 0.20 -0.65 0.00 0.00 175.02 175.15 1ijg s GLY 118 N -3.24 2.63 0.03 2.11 0.00 0.97 -4.56 107.32 105.26 1ijg s GLY 118 Ca 0.36 -1.20 0.05 0.00 0.00 0.00 0.00 44.72 43.93 1ijg s GLY 118 CO 0.29 -1.85 -0.15 0.14 0.00 0.00 0.00 173.10 171.53 1ijg s VAL 119 N -3.19 1.22 -0.20 1.40 1.01 -0.38 -0.26 120.40 120.00 1ijg s VAL 119 Ca 0.23 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 1ijg s VAL 119 Cb 0.02 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1ijg s VAL 119 CO 0.14 0.07 0.11 -0.69 0.00 0.00 0.00 175.10 174.74 1ijg s VAL 120 N -0.79 5.18 -0.44 2.92 1.01 -1.26 -0.25 120.40 126.78 1ijg s VAL 120 Ca 0.03 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 1ijg s VAL 120 Cb -0.08 -3.36 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1ijg s VAL 120 CO 0.01 0.43 0.33 -0.63 0.00 0.00 0.00 175.10 175.24 1ijg s ILE 121 N 0.48 4.97 0.39 2.22 1.01 -0.27 -4.81 121.20 125.19 1ijg s ILE 121 Ca 0.06 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 1ijg s ILE 121 Cb -0.12 -3.92 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 1ijg s ILE 121 CO -0.00 -0.47 0.80 -0.31 0.00 0.00 0.00 174.94 174.96 1ijg s TYR 122 N 1.60 3.42 -0.11 3.97 1.51 -1.26 -1.94 117.35 124.54 1ijg s TYR 122 Ca 0.04 1.21 0.21 0.00 -1.01 0.00 0.00 57.07 57.52 1ijg s TYR 122 Cb -0.22 -2.55 0.51 0.00 -0.11 0.00 0.00 41.96 39.58 1ijg s TYR 122 CO 0.07 -0.07 1.65 -0.97 -1.11 0.00 0.00 175.55 175.11 1ijg h ASN 123 N 1.61 0.00 -5.17 2.29 -1.24 -0.87 -3.34 115.58 108.86 1ijg h ASN 123 Ca -0.47 0.00 0.33 0.00 0.71 0.00 0.00 56.30 56.86 1ijg h ASN 123 Cb 1.18 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 40.08 1ijg h ASN 123 CO 0.64 0.26 0.89 0.54 -1.29 0.00 0.00 177.43 178.46 1ijg s ASN 124 N -6.26 -0.06 0.02 1.15 2.20 -1.26 -4.29 114.94 106.45 1ijg s ASN 124 Ca 0.03 -0.05 0.01 0.00 -0.94 0.00 0.00 52.86 51.91 1ijg s ASN 124 Cb 0.08 0.10 0.04 0.00 -2.00 0.00 0.00 41.25 39.47 1ijg s ASN 124 CO 0.68 -0.18 0.79 0.47 -2.94 0.00 0.00 177.10 175.92 1ijg n ASP 125 N -0.32 0.02 -0.16 3.54 8.00 -1.26 -0.26 116.55 126.11 1ijg n ASP 125 Ca -0.04 0.28 0.02 0.00 0.71 0.00 0.00 54.79 55.75 1ijg n ASP 125 Cb 0.61 -0.27 0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1ijg n ASP 125 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1ijg n MET 126 N -1.31 0.97 -2.67 -1.24 2.81 -1.26 -4.97 117.12 109.45 1ijg n MET 126 Ca -0.00 -1.11 -0.20 0.00 -1.81 0.00 0.00 57.70 54.58 1ijg n MET 126 Cb 0.25 -1.07 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 1ijg n MET 126 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ijg n ALA 127 N 0.02 -0.79 -2.70 3.04 0.00 0.64 -4.92 120.51 115.79 1ijg n ALA 127 Ca 0.03 0.18 -0.40 0.00 0.00 0.00 0.00 53.44 53.24 1ijg n ALA 127 Cb 0.18 -2.58 -0.04 0.00 0.00 0.00 0.00 19.45 17.00 1ijg n ALA 127 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ijg s PHE 128 N -2.98 3.61 0.50 0.00 2.99 -1.26 -4.49 117.98 116.35 1ijg s PHE 128 Ca 0.12 1.40 -0.19 0.00 0.00 0.00 0.00 56.93 58.25 1ijg s PHE 128 Cb -0.06 -2.90 -0.08 0.00 0.00 0.00 0.00 43.02 39.99 1ijg s PHE 128 CO 0.15 0.07 1.03 -2.14 -0.00 0.00 0.00 175.22 174.33 1ijg s PRO 129 N 0.83 3.74 0.05 0.24 0.02 -1.26 -4.60 135.00 134.03 1ijg s PRO 129 Ca 0.42 1.30 -0.16 0.00 0.02 0.00 0.00 61.00 62.57 1ijg s PRO 129 Cb -0.19 -2.09 -0.19 0.00 0.02 0.00 0.00 34.50 32.05 1ijg s PRO 129 CO 0.21 -0.47 1.21 1.15 -0.33 0.00 0.00 177.00 178.78 1ijg h THR 130 N 1.34 1.34 -0.97 0.99 2.02 -1.51 -3.37 112.91 112.75 1ijg h THR 130 Ca -0.49 -1.97 0.26 0.00 0.77 0.00 0.00 66.41 64.98 1ijg h THR 130 Cb 1.22 2.25 -0.18 0.00 -1.74 0.00 0.00 68.15 69.70 1ijg h THR 130 CO 0.59 0.60 -0.02 0.41 0.37 0.00 0.00 175.52 177.47 1ijg n THR 131 N -4.11 -0.41 -0.36 3.16 -1.04 -1.25 -0.99 114.28 109.29 1ijg n THR 131 Ca -0.09 2.14 0.05 0.00 -2.04 0.00 0.00 64.05 64.11 1ijg n THR 131 Cb 0.69 -3.10 0.21 0.00 -1.82 0.00 0.00 70.33 66.31 1ijg n THR 131 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1ijg h PRO 132 N 0.00 1.06 -0.33 -2.82 0.11 -1.94 -0.87 132.00 127.22 1ijg h PRO 132 Ca 0.57 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.49 1ijg h PRO 132 Cb 1.14 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1ijg h PRO 132 CO -0.92 0.70 -0.29 1.15 -0.21 0.00 0.00 178.00 178.43 1ijg h THR 133 N 1.09 1.29 -0.96 -1.15 2.02 -1.31 -2.57 112.91 111.31 1ijg h THR 133 Ca 0.45 -1.45 0.06 0.00 0.77 0.00 0.00 66.41 66.24 1ijg h THR 133 Cb 0.30 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.14 1ijg h THR 133 CO -0.21 0.47 0.62 -0.07 0.37 0.00 0.00 175.52 176.71 1ijg h LEU 134 N 0.54 0.99 -0.76 2.58 3.38 -1.05 -1.25 115.31 119.75 1ijg h LEU 134 Ca 0.06 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1ijg h LEU 134 Cb 0.86 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1ijg h LEU 134 CO 0.07 0.64 -0.51 -0.33 0.09 0.00 0.00 178.44 178.40 1ijg h GLU 135 N 1.12 0.29 -0.07 1.13 5.08 -1.09 -0.77 114.58 120.26 1ijg h GLU 135 Ca 0.41 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1ijg h GLU 135 Cb 0.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1ijg h GLU 135 CO -0.16 0.73 0.02 1.25 -1.00 0.00 0.00 179.01 179.86 1ijg h LEU 136 N 0.23 0.11 -0.50 1.33 5.85 -0.84 -1.83 115.31 119.66 1ijg h LEU 136 Ca 0.01 -0.21 -0.17 0.00 0.84 0.00 0.00 57.88 58.36 1ijg h LEU 136 Cb 0.97 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1ijg h LEU 136 CO 0.08 0.28 -0.66 -0.26 -0.34 0.00 0.00 178.44 177.55 1ijg h PHE 137 N -0.08 0.50 -0.85 1.25 -1.00 -1.32 -2.90 116.94 112.53 1ijg h PHE 137 Ca 0.02 -0.20 -0.03 0.00 2.81 0.00 0.00 57.97 60.58 1ijg h PHE 137 Cb 0.22 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.65 1ijg h PHE 137 CO -0.00 0.92 0.43 0.00 -1.61 0.00 0.00 178.31 178.05 1ijg h ALA 138 N 1.03 1.16 -0.78 2.45 0.00 -1.06 -0.30 119.26 121.76 1ijg h ALA 138 Ca -0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1ijg h ALA 138 Cb 1.20 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1ijg h ALA 138 CO 0.11 0.65 0.30 0.00 0.00 0.00 0.00 179.25 180.31 1ijg h ALA 139 N 1.27 1.01 -0.17 0.00 0.00 -1.24 -1.14 119.26 118.98 1ijg h ALA 139 Ca 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ijg h ALA 139 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ijg h ALA 139 CO -0.04 0.65 0.07 1.49 0.00 0.00 0.00 179.25 181.42 1ijg h GLU 140 N 1.14 0.26 -0.86 0.00 4.57 -1.17 0.41 114.58 118.94 1ijg h GLU 140 Ca 0.26 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1ijg h GLU 140 Cb 0.23 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 1ijg h GLU 140 CO -0.02 0.33 0.49 -0.07 -1.18 0.00 0.00 179.01 178.56 1ijg h LEU 141 N 0.13 1.05 -0.69 1.64 3.38 -0.89 -1.12 115.31 118.82 1ijg h LEU 141 Ca 0.06 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1ijg h LEU 141 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ijg h LEU 141 CO -0.01 0.83 -0.24 0.00 0.09 0.00 0.00 178.44 179.11 1ijg h ALA 142 N 1.34 0.87 -0.53 1.53 0.00 -0.91 -0.99 119.26 120.58 1ijg h ALA 142 Ca 0.31 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1ijg h ALA 142 Cb -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ijg h ALA 142 CO -0.05 0.63 0.13 1.49 0.00 0.00 0.00 179.25 181.45 1ijg h GLU 143 N 0.66 0.84 -0.63 0.00 4.81 -0.26 -1.58 114.58 118.42 1ijg h GLU 143 Ca 0.09 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 1ijg h GLU 143 Cb 0.75 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1ijg h GLU 143 CO 0.06 0.80 0.08 -0.07 -0.73 0.00 0.00 179.01 179.15 1ijg h LEU 144 N 0.74 1.03 -1.40 1.64 3.38 -1.04 -1.41 115.31 118.24 1ijg h LEU 144 Ca 0.17 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ijg h LEU 144 Cb 0.34 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1ijg h LEU 144 CO 0.00 1.05 0.37 0.50 0.09 0.00 0.00 178.44 180.44 1ijg h LYS 145 N 0.98 0.77 -0.21 1.13 1.63 -0.89 -0.23 116.57 119.75 1ijg h LYS 145 Ca 0.19 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.85 1ijg h LYS 145 Cb 0.47 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1ijg h LYS 145 CO 0.02 0.52 -0.20 1.49 -3.45 0.00 0.00 179.45 177.83 1ijg h GLU 146 N 0.79 0.50 -0.80 1.90 4.81 -0.76 -1.63 114.58 119.39 1ijg h GLU 146 Ca 0.21 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1ijg h GLU 146 Cb -0.06 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1ijg h GLU 146 CO -0.04 0.84 0.44 0.82 -0.73 0.00 0.00 179.01 180.33 1ijg h ILE 147 N 0.17 1.24 -0.83 2.32 2.04 -0.72 -1.27 117.51 120.46 1ijg h ILE 147 Ca 0.03 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1ijg h ILE 147 Cb 0.74 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1ijg h ILE 147 CO 0.05 0.26 0.50 0.40 0.00 0.00 0.00 178.15 179.36 1ijg h ILE 148 N 1.10 1.23 -0.18 -0.67 2.04 -0.98 -0.83 117.51 119.22 1ijg h ILE 148 Ca 0.28 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1ijg h ILE 148 Cb 0.02 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 1ijg h ILE 148 CO -0.05 0.24 0.05 0.28 0.00 0.00 0.00 178.15 178.67 1ijg h SER 149 N 1.13 0.03 -0.49 1.72 0.02 -0.42 0.12 113.55 115.67 1ijg h SER 149 Ca 0.30 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1ijg h SER 149 Cb -0.05 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1ijg h SER 149 CO -0.06 0.05 0.26 0.58 -1.14 0.00 0.00 176.83 176.52 1ijg h VAL 150 N 0.12 0.99 -0.30 2.27 2.07 -0.77 -1.72 116.25 118.91 1ijg h VAL 150 Ca 0.08 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 1ijg h VAL 150 Cb 0.06 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1ijg h VAL 150 CO -0.09 0.09 -0.30 -1.13 0.02 0.00 0.00 177.57 176.16 1ijg h ASN 151 N 0.51 0.78 -0.73 0.57 -0.00 -0.82 -1.77 115.58 114.12 1ijg h ASN 151 Ca 0.21 -0.47 -0.06 0.00 -0.00 0.00 0.00 56.30 55.98 1ijg h ASN 151 Cb 0.09 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 38.16 1ijg h ASN 151 CO -0.13 1.09 0.23 0.06 -0.00 0.00 0.00 177.43 178.68 1ijg h GLN 152 N 0.48 1.15 0.00 6.67 3.07 -0.64 -2.50 115.11 123.33 1ijg h GLN 152 Ca 0.05 -0.25 -0.09 0.00 0.09 0.00 0.00 58.65 58.45 1ijg h GLN 152 Cb 0.87 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 28.25 1ijg h GLN 152 CO 0.07 0.98 -0.43 -0.91 0.09 0.00 0.00 178.83 178.63 1ijg h ASN 153 N 1.10 0.00 0.40 0.06 2.35 -1.26 -2.48 115.58 115.76 1ijg h ASN 153 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1ijg h ASN 153 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1ijg h ASN 153 CO -0.01 0.43 0.00 0.00 -1.65 0.00 0.00 177.43 176.20 1ijg h ALA 154 N 1.57 1.00 0.00 -0.83 0.00 -0.85 -1.41 119.26 118.74 1ijg h ALA 154 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ijg h ALA 154 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ijg h ALA 154 CO 0.06 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.35 1ijg n GLN 155 N -2.75 0.19 0.14 0.00 1.13 -0.93 -2.53 117.38 112.63 1ijg n GLN 155 Ca -0.01 0.45 0.13 0.00 -1.94 0.00 0.00 57.00 55.63 1ijg n GLN 155 Cb 0.15 -1.88 0.42 0.00 0.11 0.00 0.00 30.24 29.04 1ijg n GLN 155 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1ijg h LYS 156 N 0.00 0.00 -2.08 -1.09 1.57 -1.43 -3.39 116.57 110.15 1ijg h LYS 156 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1ijg h LYS 156 Cb 0.32 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.23 1ijg h LYS 156 CO 0.00 0.00 -0.93 0.25 -0.57 0.00 0.00 179.45 178.20 1ijg n THR 157 N -2.41 0.52 0.17 -0.16 -2.24 -1.05 -4.90 114.28 104.20 1ijg n THR 157 Ca 0.04 -4.52 0.09 0.00 -2.27 0.00 0.00 64.05 57.39 1ijg n THR 157 Cb 0.38 -1.86 0.09 0.00 -2.10 0.00 0.00 70.33 66.85 1ijg n THR 157 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ijg h PRO 158 N 3.94 0.00 -6.26 -0.78 0.13 -1.78 -3.40 132.00 123.85 1ijg h PRO 158 Ca 0.12 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.61 1ijg h PRO 158 Cb 0.80 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.64 1ijg h PRO 158 CO 0.60 0.14 -0.86 0.08 -0.23 0.00 0.00 178.00 177.73 1ijg s VAL 159 N -3.16 1.80 -0.08 1.56 1.01 -1.26 -0.64 120.40 119.62 1ijg s VAL 159 Ca 0.04 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 1ijg s VAL 159 Cb 0.07 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1ijg s VAL 159 CO 0.72 0.43 -0.04 -0.22 0.00 0.00 0.00 175.10 175.99 1ijg s LEU 160 N -0.73 1.00 -0.16 3.92 0.20 -0.75 -4.90 118.68 117.27 1ijg s LEU 160 Ca 0.09 -0.19 -0.01 0.00 0.69 0.00 0.00 54.13 54.71 1ijg s LEU 160 Cb -0.09 -0.63 -0.01 0.00 -0.43 0.00 0.00 46.19 45.03 1ijg s LEU 160 CO -0.00 -0.13 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.19 1ijg s ILE 161 N 1.62 3.10 -0.25 6.68 1.01 -1.26 -0.24 121.20 131.87 1ijg s ILE 161 Ca 0.01 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 1ijg s ILE 161 Cb -0.13 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1ijg s ILE 161 CO -0.05 0.50 0.23 -0.60 0.00 0.00 0.00 174.94 175.02 1ijg s ARG 162 N 0.69 4.05 -0.28 2.79 3.52 -0.05 -4.97 118.95 124.70 1ijg s ARG 162 Ca -0.05 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 1ijg s ARG 162 Cb -0.15 -3.58 0.08 0.00 -1.56 0.00 0.00 34.95 29.74 1ijg s ARG 162 CO 0.02 -0.05 0.03 0.00 -0.81 0.00 0.00 175.30 174.50 1ijg s ALA 163 N 1.37 1.87 -0.08 6.12 0.00 -1.26 -2.17 121.76 127.61 1ijg s ALA 163 Ca 0.10 -1.63 -0.14 0.00 0.00 0.00 0.00 51.96 50.29 1ijg s ALA 163 Cb -0.15 -1.58 -0.29 0.00 0.00 0.00 0.00 23.12 21.11 1ijg s ALA 163 CO 0.07 -1.47 0.60 -2.95 0.00 0.00 0.00 175.76 172.01 1ijg h ASN 164 N 7.97 0.48 -2.59 0.00 -1.07 -1.76 -3.41 115.58 115.20 1ijg h ASN 164 Ca -0.13 -0.89 -0.54 0.00 0.07 0.00 0.00 56.30 54.81 1ijg h ASN 164 Cb 1.04 -0.15 -0.07 0.00 -2.07 0.00 0.00 38.32 37.07 1ijg h ASN 164 CO 0.45 1.69 1.10 -1.81 0.07 0.00 0.00 177.43 178.93 1ijg s ASP 165 N -7.13 6.07 0.00 6.14 -0.00 -1.26 -4.55 116.67 115.94 1ijg s ASP 165 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 52.55 52.37 1ijg s ASP 165 Cb 0.05 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.42 1ijg s ASP 165 CO 0.80 -1.82 0.00 0.59 -0.00 0.00 0.00 175.17 174.74 1ijg n ASN 166 N 9.78 0.88 -0.35 0.27 5.03 -1.26 -4.76 115.26 124.85 1ijg n ASN 166 Ca 0.09 -0.05 0.15 0.00 0.87 0.00 0.00 54.58 55.64 1ijg n ASN 166 Cb 0.49 0.28 0.35 0.00 -1.02 0.00 0.00 39.78 39.89 1ijg n ASN 166 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 1ijg h ASN 167 N 0.00 0.73 0.00 6.41 2.35 -1.97 -3.30 115.58 119.80 1ijg h ASN 167 Ca 0.00 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1ijg h ASN 167 Cb 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1ijg h ASN 167 CO 0.00 0.21 0.00 1.67 -1.65 0.00 0.00 177.43 177.66 1ijg n GLN 168 N -4.80 0.00 -4.00 0.81 -0.06 -1.26 -4.95 117.38 103.11 1ijg n GLN 168 Ca 0.25 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.90 1ijg n GLN 168 Cb 0.65 -0.37 -0.06 0.00 -4.06 0.00 0.00 30.24 26.39 1ijg n GLN 168 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1ijg s LEU 169 N -1.26 4.17 -0.28 1.69 0.20 -1.24 -5.08 118.68 116.88 1ijg s LEU 169 Ca 0.00 0.33 -0.17 0.00 0.69 0.00 0.00 54.13 54.99 1ijg s LEU 169 Cb 0.00 -2.19 -0.03 0.00 -0.43 0.00 0.00 46.19 43.55 1ijg s LEU 169 CO 0.00 0.35 0.46 -0.55 -0.29 0.00 0.00 176.35 176.32 1ijg s SER 170 N -1.34 6.34 0.23 3.68 0.15 -1.26 -4.38 113.70 117.12 1ijg s SER 170 Ca 0.19 0.34 -0.07 0.00 0.70 0.00 0.00 55.95 57.11 1ijg s SER 170 Cb -0.12 -2.25 0.19 0.00 -1.71 0.00 0.00 66.02 62.13 1ijg s SER 170 CO 0.09 -0.28 1.83 0.25 1.20 0.00 0.00 173.24 176.33 1ijg h LEU 171 N 8.76 1.13 -1.29 3.45 5.85 -1.91 -1.56 115.31 129.73 1ijg h LEU 171 Ca -0.30 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1ijg h LEU 171 Cb 1.15 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1ijg h LEU 171 CO 0.70 0.93 0.14 0.50 -0.34 0.00 0.00 178.44 180.36 1ijg h LYS 172 N 1.24 0.62 -0.37 1.25 1.63 -2.00 -2.17 116.57 116.76 1ijg h LYS 172 Ca 0.30 -0.10 -0.07 0.00 -0.85 0.00 0.00 60.65 59.94 1ijg h LYS 172 Cb 0.08 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1ijg h LYS 172 CO -0.04 0.54 -0.03 0.37 -3.45 0.00 0.00 179.45 176.84 1ijg h GLN 173 N 0.61 0.68 -0.85 1.90 5.75 -1.79 -1.36 115.11 120.05 1ijg h GLN 173 Ca 0.15 -0.23 0.11 0.00 -0.15 0.00 0.00 58.65 58.52 1ijg h GLN 173 Cb 0.18 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 28.60 1ijg h GLN 173 CO -0.01 0.80 0.49 0.28 -2.65 0.00 0.00 178.83 177.74 1ijg h VAL 174 N 0.49 0.87 -0.32 2.39 2.07 -0.71 0.82 116.25 121.86 1ijg h VAL 174 Ca 0.10 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 1ijg h VAL 174 Cb 0.51 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1ijg h VAL 174 CO 0.03 0.14 -0.40 1.88 0.02 0.00 0.00 177.57 179.24 1ijg h TYR 175 N 0.79 1.01 -0.93 1.57 -1.99 -1.17 -0.86 116.97 115.39 1ijg h TYR 175 Ca 0.42 -0.32 0.02 0.00 2.00 0.00 0.00 58.73 60.85 1ijg h TYR 175 Cb 0.44 -0.20 -0.05 0.00 2.00 0.00 0.00 36.73 38.92 1ijg h TYR 175 CO -0.06 1.13 0.61 -0.91 -0.00 0.00 0.00 178.16 178.93 1ijg h ASN 176 N 0.60 1.03 1.67 3.88 2.35 -0.35 -1.83 115.58 122.94 1ijg h ASN 176 Ca 0.04 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1ijg h ASN 176 Cb 0.99 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1ijg h ASN 176 CO 0.10 0.73 0.00 -0.61 -1.65 0.00 0.00 177.43 175.99 1ijg h GLN 177 N 1.21 0.00 -6.08 0.81 -0.00 -0.77 -3.47 115.11 106.80 1ijg h GLN 177 Ca 0.35 0.00 -0.79 0.00 -0.00 0.00 0.00 58.65 58.21 1ijg h GLN 177 Cb -0.06 0.00 0.02 0.00 0.00 0.00 0.00 27.48 27.44 1ijg h GLN 177 CO -0.09 0.00 0.60 0.98 0.00 0.00 0.00 178.83 180.32 1ijg n TYR 178 N -2.62 1.60 0.71 3.99 9.36 -0.34 -4.88 117.16 124.99 1ijg n TYR 178 Ca 0.05 0.88 0.11 0.00 3.32 0.00 0.00 57.90 62.26 1ijg n TYR 178 Cb 0.47 -2.29 0.06 0.00 -0.63 0.00 0.00 39.34 36.95 1ijg n TYR 178 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1ijg n GLU 179 N 3.74 0.19 -1.37 2.98 -0.00 -1.26 -4.99 120.64 119.93 1ijg n GLU 179 Ca 0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 57.16 57.31 1ijg n GLU 179 Cb 0.06 -1.57 -0.05 0.00 -0.00 0.00 0.00 31.44 29.89 1ijg n GLU 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ijg n GLY 180 N 1.41 1.18 0.87 -1.84 0.00 -1.26 -4.88 105.19 100.68 1ijg n GLY 180 Ca 0.03 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.64 1ijg n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ijg n ASN 181 N 0.16 2.93 -3.68 1.61 3.02 -1.26 -5.01 115.26 113.04 1ijg n ASN 181 Ca -0.11 -1.86 -0.01 0.00 -0.03 0.00 0.00 54.58 52.56 1ijg n ASN 181 Cb 0.38 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1ijg n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ijg s ALA 182 N -1.38 -1.95 0.63 5.41 0.00 -1.26 -5.14 121.76 118.07 1ijg s ALA 182 Ca 0.28 0.49 -0.18 0.00 0.00 0.00 0.00 51.96 52.55 1ijg s ALA 182 Cb 0.17 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 1ijg s ALA 182 CO 0.25 -1.02 1.11 -2.30 0.00 0.00 0.00 175.76 173.80 1ijg n PRO 183 N -0.46 0.96 -1.84 0.00 -0.02 -1.26 -4.85 135.00 127.53 1ijg n PRO 183 Ca -0.07 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1ijg n PRO 183 Cb 0.62 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1ijg n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ijg s VAL 184 N -1.47 2.47 -0.14 -1.45 1.01 -1.26 -4.98 120.40 114.58 1ijg s VAL 184 Ca 0.79 0.27 0.02 0.00 0.00 0.00 0.00 61.98 63.07 1ijg s VAL 184 Cb -0.39 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1ijg s VAL 184 CO 0.44 0.02 -0.21 -0.63 0.00 0.00 0.00 175.10 174.72 1ijg s ILE 185 N 1.48 1.96 -0.54 2.22 1.01 -1.26 -5.06 121.20 121.01 1ijg s ILE 185 Ca 0.73 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 1ijg s ILE 185 Cb -0.45 -1.74 0.14 0.00 0.01 0.00 0.00 42.46 40.41 1ijg s ILE 185 CO 0.32 0.53 0.35 0.12 0.00 0.00 0.00 174.94 176.26 1ijg s PHE 186 N 0.86 3.48 -0.08 3.97 5.36 -1.26 -5.02 117.98 125.29 1ijg s PHE 186 Ca -0.07 -2.55 0.05 0.00 -0.96 0.00 0.00 56.93 53.40 1ijg s PHE 186 Cb -0.15 -3.23 -0.01 0.00 -0.34 0.00 0.00 43.02 39.29 1ijg s PHE 186 CO -0.02 -0.90 -0.24 0.00 -1.46 0.00 0.00 175.22 172.60 1ijg s ALA 187 N 0.46 2.20 -0.29 11.12 0.00 -1.26 -5.10 121.76 128.89 1ijg s ALA 187 Ca 0.13 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.86 1ijg s ALA 187 Cb -0.21 -0.75 0.15 0.00 0.00 0.00 0.00 23.12 22.31 1ijg s ALA 187 CO -0.04 0.37 1.15 -1.58 0.00 0.00 0.00 175.76 175.66 1ijg s HIS 188 N 0.02 -0.35 0.50 0.00 5.04 -1.26 -5.01 115.29 114.24 1ijg s HIS 188 Ca -0.09 0.78 0.31 0.00 -1.54 0.00 0.00 55.06 54.52 1ijg s HIS 188 Cb -0.15 0.36 1.42 0.00 0.04 0.00 0.00 32.58 34.25 1ijg s HIS 188 CO 0.06 -0.17 1.81 0.93 -2.34 0.00 0.00 174.74 175.03 1ijg h GLU 189 N 4.44 0.10 -0.55 2.88 5.08 -2.04 -2.50 114.58 121.98 1ijg h GLU 189 Ca -0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1ijg h GLU 189 Cb 1.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ijg h GLU 189 CO 0.16 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 1ijg n ALA 190 N -2.68 2.56 -2.61 3.43 0.00 -1.26 -4.91 120.51 115.04 1ijg n ALA 190 Ca 0.24 -0.98 -0.43 0.00 0.00 0.00 0.00 53.44 52.27 1ijg n ALA 190 Cb 1.10 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 1ijg n ALA 190 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ijg s LEU 191 N -1.13 3.76 0.00 0.00 1.43 -0.94 -5.03 118.68 116.76 1ijg s LEU 191 Ca 0.36 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1ijg s LEU 191 Cb 0.20 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1ijg s LEU 191 CO 0.22 -1.12 0.00 0.47 0.23 0.00 0.00 176.35 176.16 1ijg n ASP 192 N 7.48 -0.68 0.00 2.29 8.00 -1.26 -4.91 116.55 127.47 1ijg n ASP 192 Ca 0.11 -0.20 0.11 0.00 0.71 0.00 0.00 54.79 55.52 1ijg n ASP 192 Cb 0.48 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.62 1ijg n ASP 192 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ijg n SER 193 N -1.63 0.73 -0.66 -2.24 3.41 -1.26 -3.71 113.62 108.27 1ijg n SER 193 Ca 0.00 -0.58 0.12 0.00 -0.26 0.00 0.00 58.87 58.15 1ijg n SER 193 Cb 0.00 0.71 0.10 0.00 -0.26 0.00 0.00 64.21 64.76 1ijg n SER 193 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ijg n ASP 194 N -1.59 2.30 -0.20 4.04 5.75 -1.26 -4.49 116.55 121.11 1ijg n ASP 194 Ca 0.04 -1.66 0.01 0.00 -0.01 0.00 0.00 54.79 53.17 1ijg n ASP 194 Cb 0.35 0.24 0.11 0.00 -1.03 0.00 0.00 41.12 40.79 1ijg n ASP 194 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1ijg h SER 195 N 3.23 -0.06 -4.42 -1.12 0.02 -1.91 -3.43 113.55 105.86 1ijg h SER 195 Ca 0.00 0.12 -0.68 0.00 -0.84 0.00 0.00 61.79 60.39 1ijg h SER 195 Cb 0.82 0.18 -0.28 0.00 0.14 0.00 0.00 62.40 63.26 1ijg h SER 195 CO 0.00 -0.02 -0.88 -0.63 -1.14 0.00 0.00 176.83 174.16 1ijg s ILE 196 N -6.12 2.02 -0.15 3.27 -1.09 -1.26 -2.50 121.20 115.38 1ijg s ILE 196 Ca -0.13 -1.23 -0.06 0.00 -2.23 0.00 0.00 60.65 56.99 1ijg s ILE 196 Cb 0.18 -1.71 0.06 0.00 -1.58 0.00 0.00 42.46 39.42 1ijg s ILE 196 CO 0.74 0.43 0.33 -0.70 -1.23 0.00 0.00 174.94 174.51 1ijg s GLU 197 N -0.95 0.26 -0.12 2.79 2.12 -0.92 -5.00 118.70 116.87 1ijg s GLU 197 Ca 0.10 0.76 -0.04 0.00 0.36 0.00 0.00 54.97 56.16 1ijg s GLU 197 Cb -0.10 0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.28 1ijg s GLU 197 CO 0.01 -0.22 0.04 0.08 -0.54 0.00 0.00 175.26 174.63 1ijg s VAL 198 N 1.92 4.59 0.07 3.70 1.01 -1.26 -0.87 120.40 129.56 1ijg s VAL 198 Ca -0.05 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 61.90 1ijg s VAL 198 Cb -0.11 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1ijg s VAL 198 CO -0.10 0.56 -0.25 -0.36 0.00 0.00 0.00 175.10 174.95 1ijg s PHE 199 N -0.50 2.14 -0.28 5.22 0.40 0.67 -5.00 117.98 120.63 1ijg s PHE 199 Ca 0.09 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 55.89 1ijg s PHE 199 Cb -0.12 -1.24 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 1ijg s PHE 199 CO 0.02 0.18 0.31 0.15 0.70 0.00 0.00 175.22 176.58 1ijg s LYS 200 N -1.49 3.97 -0.25 0.44 -0.14 -1.26 -1.81 119.74 119.19 1ijg s LYS 200 Ca 0.11 -0.11 0.09 0.00 -1.36 0.00 0.00 55.97 54.70 1ijg s LYS 200 Cb -0.10 -3.67 0.44 0.00 -1.68 0.00 0.00 37.83 32.83 1ijg s LYS 200 CO 0.03 -0.26 1.25 0.25 -0.76 0.00 0.00 175.35 175.86 1ijg n THR 201 N 5.11 2.38 -2.53 2.17 -2.24 0.18 -4.98 114.28 114.37 1ijg n THR 201 Ca -0.10 -3.50 -0.40 0.00 -2.27 0.00 0.00 64.05 57.77 1ijg n THR 201 Cb 0.51 -0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 68.14 1ijg n THR 201 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ijg s ASP 202 N -3.25 7.33 -0.24 3.42 -4.77 -1.17 -4.52 116.67 113.46 1ijg s ASP 202 Ca 0.43 2.16 -0.10 0.00 -3.30 0.00 0.00 52.55 51.75 1ijg s ASP 202 Cb 0.39 -2.62 -0.05 0.00 -1.09 0.00 0.00 42.92 39.56 1ijg s ASP 202 CO -0.03 -0.12 0.14 0.00 0.70 0.00 0.00 175.17 175.86 1ijg s ALA 203 N -0.88 3.49 0.07 2.11 0.00 -1.26 -5.04 121.76 120.24 1ijg s ALA 203 Ca 0.45 -0.95 -0.37 0.00 0.00 0.00 0.00 51.96 51.10 1ijg s ALA 203 Cb -0.30 -2.25 -0.18 0.00 0.00 0.00 0.00 23.12 20.39 1ijg s ALA 203 CO 0.38 -0.25 1.14 -2.30 0.00 0.00 0.00 175.76 174.72 1ijg n PRO 204 N 4.42 0.54 -2.53 0.00 -0.02 -1.26 -4.83 135.00 131.32 1ijg n PRO 204 Ca -0.15 0.20 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 1ijg n PRO 204 Cb 0.52 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.27 1ijg n PRO 204 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ijg s TYR 205 N 0.07 2.87 -0.02 6.00 5.04 -1.26 -4.81 117.35 125.24 1ijg s TYR 205 Ca 0.85 0.96 0.03 0.00 -2.44 0.00 0.00 57.07 56.46 1ijg s TYR 205 Cb -1.08 -3.94 0.04 0.00 0.35 0.00 0.00 41.96 37.33 1ijg s TYR 205 CO 0.53 -1.29 0.84 1.33 -1.34 0.00 0.00 175.55 175.62 1ijg n VAL 206 N 6.24 0.58 -0.13 3.14 0.24 -1.26 -4.84 118.33 122.30 1ijg n VAL 206 Ca 0.13 -0.64 -0.04 0.00 -2.04 0.00 0.00 64.34 61.76 1ijg n VAL 206 Cb 0.47 0.57 0.04 0.00 -1.47 0.00 0.00 33.84 33.45 1ijg n VAL 206 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1ijg h VAL 207 N 2.41 0.73 -1.00 3.34 2.07 -1.93 -0.15 116.25 121.71 1ijg h VAL 207 Ca 0.00 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1ijg h VAL 207 Cb 0.93 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1ijg h VAL 207 CO 0.00 0.03 0.65 -2.24 0.02 0.00 0.00 177.57 176.03 1ijg h ASP 208 N 0.16 1.16 -0.14 0.57 -0.00 -1.99 0.41 116.42 116.59 1ijg h ASP 208 Ca 0.21 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.03 57.17 1ijg h ASP 208 Cb 0.28 -0.29 -0.00 0.00 -0.00 0.00 0.00 39.33 39.32 1ijg h ASP 208 CO -0.31 0.85 -0.04 0.11 -0.00 0.00 0.00 179.24 179.85 1ijg h LYS 209 N 1.36 0.27 -0.89 4.15 1.57 -1.76 -1.43 116.57 119.84 1ijg h LYS 209 Ca 0.37 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 59.12 1ijg h LYS 209 Cb -0.14 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 1ijg h LYS 209 CO -0.08 0.56 0.58 -0.07 -0.57 0.00 0.00 179.45 179.87 1ijg h LEU 210 N -0.04 0.84 -0.94 2.94 3.38 -0.70 0.12 115.31 120.91 1ijg h LEU 210 Ca 0.03 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1ijg h LEU 210 Cb 0.46 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ijg h LEU 210 CO 0.01 0.52 -0.07 -1.13 0.09 0.00 0.00 178.44 177.86 1ijg h ASN 211 N 0.95 0.67 -0.38 -0.43 -1.24 -0.65 0.77 115.58 115.27 1ijg h ASN 211 Ca 0.40 -0.18 -0.06 0.00 0.71 0.00 0.00 56.30 57.17 1ijg h ASN 211 Cb 0.30 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 1ijg h ASN 211 CO -0.16 0.79 0.03 0.00 -1.29 0.00 0.00 177.43 176.81 1ijg h ALA 212 N 1.28 1.19 -0.45 1.57 0.00 0.27 -1.28 119.26 121.83 1ijg h ALA 212 Ca 0.12 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1ijg h ALA 212 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ijg h ALA 212 CO 0.03 0.54 -0.18 0.37 0.00 0.00 0.00 179.25 180.01 1ijg h GLN 213 N 0.70 0.92 -0.96 0.00 5.75 -0.30 -1.39 115.11 119.83 1ijg h GLN 213 Ca 0.15 -0.38 0.05 0.00 -0.15 0.00 0.00 58.65 58.32 1ijg h GLN 213 Cb 0.38 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.84 1ijg h GLN 213 CO 0.01 1.04 0.62 -0.22 -2.65 0.00 0.00 178.83 177.64 1ijg h LYS 214 N 0.76 1.11 -0.07 1.69 3.64 -0.36 0.60 116.57 123.95 1ijg h LYS 214 Ca 0.11 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 1ijg h LYS 214 Cb 0.74 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1ijg h LYS 214 CO 0.06 0.74 -0.46 -0.91 -2.27 0.00 0.00 179.45 176.61 1ijg h ASN 215 N 1.15 0.17 -0.30 4.20 2.35 -0.84 -0.27 115.58 122.02 1ijg h ASN 215 Ca 0.40 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 56.02 1ijg h ASN 215 Cb 0.12 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1ijg h ASN 215 CO -0.14 0.60 -0.02 0.00 -1.65 0.00 0.00 177.43 176.22 1ijg h ALA 216 N 1.40 0.41 -0.60 -0.83 0.00 0.10 0.40 119.26 120.14 1ijg h ALA 216 Ca 0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1ijg h ALA 216 Cb 0.86 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1ijg h ALA 216 CO 0.07 0.18 0.19 0.28 0.00 0.00 0.00 179.25 179.97 1ijg h VAL 217 N 0.33 1.24 -0.85 0.00 2.07 -0.73 -0.64 116.25 117.67 1ijg h VAL 217 Ca 0.08 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1ijg h VAL 217 Cb 0.47 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1ijg h VAL 217 CO 0.02 0.31 0.49 -0.25 0.02 0.00 0.00 177.57 178.16 1ijg h TRP 218 N 0.85 1.15 -0.04 1.57 2.91 -0.83 -1.56 115.95 120.01 1ijg h TRP 218 Ca 0.19 -0.02 -0.11 0.00 1.13 0.00 0.00 58.89 60.09 1ijg h TRP 218 Cb 0.28 -0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 28.55 1ijg h TRP 218 CO 0.02 0.79 -0.48 -0.91 -1.03 0.00 0.00 178.44 176.83 1ijg h ASN 219 N 1.18 0.09 -0.30 2.65 2.35 -0.52 -0.14 115.58 120.89 1ijg h ASN 219 Ca 0.30 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1ijg h ASN 219 Cb -0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1ijg h ASN 219 CO -0.05 0.56 0.14 -0.08 -1.65 0.00 0.00 177.43 176.34 1ijg h GLU 220 N 0.07 0.43 0.05 0.81 4.81 -0.49 0.22 114.58 120.47 1ijg h GLU 220 Ca 0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1ijg h GLU 220 Cb 0.87 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1ijg h GLU 220 CO 0.07 0.42 -0.02 1.98 -0.73 0.00 0.00 179.01 180.72 1ijg h MET 221 N 0.34 -0.06 -0.85 1.92 4.05 -0.93 -1.53 114.93 117.86 1ijg h MET 221 Ca 0.10 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.57 1ijg h MET 221 Cb 0.14 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.89 1ijg h MET 221 CO -0.01 -0.02 0.54 0.52 0.23 0.00 0.00 176.91 178.18 1ijg h MET 222 N -0.09 1.01 -0.73 0.39 2.86 -0.82 -1.98 114.93 115.57 1ijg h MET 222 Ca -0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1ijg h MET 222 Cb 0.07 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 1ijg h MET 222 CO 0.01 0.67 0.38 1.15 1.06 0.00 0.00 176.91 180.18 1ijg h THR 223 N 1.04 1.23 -0.85 2.22 2.02 -0.68 0.16 112.91 118.04 1ijg h THR 223 Ca 0.35 -0.59 0.06 0.00 0.77 0.00 0.00 66.41 66.99 1ijg h THR 223 Cb 0.05 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 66.70 1ijg h THR 223 CO -0.13 0.26 0.56 0.15 0.37 0.00 0.00 175.52 176.72 1ijg h PHE 224 N 1.01 0.99 -0.01 3.16 3.57 -0.56 -0.98 116.94 124.12 1ijg h PHE 224 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1ijg h PHE 224 Cb 0.06 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1ijg h PHE 224 CO 0.00 0.53 -0.04 1.28 -2.23 0.00 0.00 178.31 177.86 1ijg n LEU 225 N -4.47 1.00 -0.26 0.59 4.77 -0.90 -4.47 117.00 113.27 1ijg n LEU 225 Ca 0.12 -0.30 -0.03 0.00 -0.03 0.00 0.00 56.01 55.77 1ijg n LEU 225 Cb 0.18 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1ijg n LEU 225 CO 0.34 0.17 -0.03 0.61 -1.33 0.00 0.00 177.39 177.14 1ijg n GLY 226 N 1.17 0.53 3.94 -0.72 0.00 -0.37 -4.64 105.19 105.10 1ijg n GLY 226 Ca 0.19 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 1ijg n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ijg s ILE 227 N -2.12 5.24 0.00 -0.61 1.01 0.48 -4.84 121.20 120.35 1ijg s ILE 227 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1ijg s ILE 227 Cb 0.00 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1ijg s ILE 227 CO 0.00 -0.23 0.00 0.29 0.00 0.00 0.00 174.94 175.00 1ijg n LYS 228 N -0.93 0.00 0.00 2.79 5.02 -1.26 -4.07 118.16 119.71 1ijg n LYS 228 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1ijg n LYS 228 Cb 0.55 -2.89 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 1ijg n LYS 228 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ijg n ASP 247 N 0.00 0.00 0.07 4.39 2.03 -1.26 -5.10 116.55 116.69 1ijg n ASP 247 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1ijg n ASP 247 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1ijg n ASP 247 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ijg h GLU 248 N 0.00 -0.14 -0.40 -0.67 5.08 -2.04 -1.73 114.58 114.68 1ijg h GLU 248 Ca 0.00 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1ijg h GLU 248 Cb 0.00 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 1ijg h GLU 248 CO 0.00 -0.09 -0.18 1.96 -1.00 0.00 0.00 179.01 179.70 1ijg h GLN 249 N -0.15 -0.10 0.12 2.33 4.20 -1.99 0.62 115.11 120.15 1ijg h GLN 249 Ca 0.01 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1ijg h GLN 249 Cb 0.14 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1ijg h GLN 249 CO -0.02 -0.06 -0.06 0.82 -0.67 0.00 0.00 178.83 178.84 1ijg h ILE 250 N -0.10 0.99 -0.02 2.54 2.04 -1.81 -1.07 117.51 120.07 1ijg h ILE 250 Ca 0.20 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 1ijg h ILE 250 Cb 0.40 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1ijg h ILE 250 CO -0.46 0.10 -0.42 -0.33 0.00 0.00 0.00 178.15 177.03 1ijg h GLU 251 N -0.36 0.04 -0.13 2.37 3.07 -0.99 -2.14 114.58 116.44 1ijg h GLU 251 Ca -0.02 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.69 1ijg h GLU 251 Cb 0.29 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1ijg h GLU 251 CO 0.03 0.46 -0.51 0.77 -1.40 0.00 0.00 179.01 178.36 1ijg h SER 252 N 0.04 0.40 -0.56 1.42 0.02 0.33 -0.43 113.55 114.78 1ijg h SER 252 Ca 0.00 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.65 1ijg h SER 252 Cb 0.77 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1ijg h SER 252 CO 0.06 0.84 -0.04 0.28 -1.14 0.00 0.00 176.83 176.83 1ijg h SER 253 N 0.29 0.99 -0.46 3.07 0.02 -0.85 -2.51 113.55 114.10 1ijg h SER 253 Ca 0.01 -0.32 -0.13 0.00 -0.84 0.00 0.00 61.79 60.51 1ijg h SER 253 Cb 0.99 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1ijg h SER 253 CO 0.09 1.08 -0.23 1.23 -1.14 0.00 0.00 176.83 177.85 1ijg h GLY 254 N 0.89 1.05 2.00 -3.77 0.00 -1.18 -2.88 103.07 99.18 1ijg h GLY 254 Ca 0.15 -0.95 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1ijg h GLY 254 CO 0.04 0.87 -0.04 -0.84 0.00 0.00 0.00 176.54 176.56 1ijg h THR 255 N 0.81 0.86 -0.85 4.70 2.02 -0.84 -0.45 112.91 119.16 1ijg h THR 255 Ca 0.10 -0.15 0.16 0.00 0.77 0.00 0.00 66.41 67.29 1ijg h THR 255 Cb 0.82 1.08 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 1ijg h THR 255 CO 0.07 0.04 0.56 0.58 0.37 0.00 0.00 175.52 177.14 1ijg h VAL 256 N 0.00 0.79 0.13 3.16 2.07 -1.22 0.16 116.25 121.35 1ijg h VAL 256 Ca -0.00 -0.19 -0.32 0.00 0.82 0.00 0.00 66.70 67.01 1ijg h VAL 256 Cb 0.08 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1ijg h VAL 256 CO 0.01 0.10 -1.63 -0.26 0.02 0.00 0.00 177.57 175.81 1ijg h PHE 257 N 0.55 0.51 -0.12 1.57 -1.00 -1.25 -3.39 116.94 113.81 1ijg h PHE 257 Ca 0.43 -0.37 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1ijg h PHE 257 Cb 0.84 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.38 1ijg h PHE 257 CO -0.00 1.64 0.02 1.25 -1.61 0.00 0.00 178.31 179.61 1ijg h LEU 258 N -0.14 0.19 -0.47 1.54 6.46 -0.47 -3.12 115.31 119.29 1ijg h LEU 258 Ca -0.34 -0.25 0.08 0.00 -0.12 0.00 0.00 57.88 57.24 1ijg h LEU 258 Cb 1.89 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 41.71 1ijg h LEU 258 CO 0.09 0.39 0.10 0.07 -0.62 0.00 0.00 178.44 178.47 1ijg h LYS 259 N -0.02 0.23 -0.83 1.25 5.09 -0.93 0.16 116.57 121.52 1ijg h LYS 259 Ca 0.04 -0.01 0.08 0.00 0.09 0.00 0.00 60.65 60.85 1ijg h LYS 259 Cb 0.28 -0.05 -0.07 0.00 0.10 0.00 0.00 32.23 32.49 1ijg h LYS 259 CO 0.00 0.15 0.49 0.77 -2.09 0.00 0.00 179.45 178.78 1ijg h SER 260 N 0.24 0.73 -0.44 7.07 0.02 -1.74 0.72 113.55 120.15 1ijg h SER 260 Ca 0.24 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.13 1ijg h SER 260 Cb 0.30 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1ijg h SER 260 CO -0.30 0.44 -0.10 0.03 -1.14 0.00 0.00 176.83 175.76 1ijg h ARG 261 N 0.85 0.84 -0.29 3.45 3.08 -1.16 -2.71 114.38 118.43 1ijg h ARG 261 Ca 0.39 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ijg h ARG 261 Cb 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1ijg h ARG 261 CO -0.22 0.95 0.17 0.93 -1.07 0.00 0.00 179.97 180.72 1ijg h GLU 262 N 0.66 0.40 -0.13 0.04 5.08 0.29 0.47 114.58 121.39 1ijg h GLU 262 Ca 0.11 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1ijg h GLU 262 Cb 0.63 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1ijg h GLU 262 CO 0.04 0.33 -0.08 0.93 -1.00 0.00 0.00 179.01 179.24 1ijg h GLU 263 N 0.36 -0.07 -0.31 2.33 5.08 -0.87 -1.07 114.58 120.03 1ijg h GLU 263 Ca 0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1ijg h GLU 263 Cb 0.04 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1ijg h GLU 263 CO -0.02 -0.05 -0.03 0.00 -1.00 0.00 0.00 179.01 177.92 1ijg h ALA 264 N 1.04 1.38 -0.14 3.43 0.00 -1.33 -1.96 119.26 121.69 1ijg h ALA 264 Ca 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ijg h ALA 264 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ijg h ALA 264 CO -0.18 0.43 -0.07 0.00 0.00 0.00 0.00 179.25 179.43 1ijg h GLU 266 N 0.20 0.80 -0.57 0.00 5.08 -0.46 -2.51 114.58 117.13 1ijg h GLU 266 Ca 0.04 -0.57 -0.09 0.00 -1.00 0.00 0.00 59.36 57.74 1ijg h GLU 266 Cb 0.26 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1ijg h GLU 266 CO 0.01 1.19 -0.01 0.87 -1.00 0.00 0.00 179.01 180.07 1ijg h LYS 267 N 0.59 1.02 -0.24 2.33 1.79 -1.09 -1.42 116.57 119.54 1ijg h LYS 267 Ca -0.02 -0.33 0.02 0.00 -2.18 0.00 0.00 60.65 58.15 1ijg h LYS 267 Cb 1.27 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.80 1ijg h LYS 267 CO 0.14 1.01 0.08 0.82 -1.08 0.00 0.00 179.45 180.42 1ijg h ILE 268 N 0.90 0.94 -0.25 1.86 1.08 -1.12 0.76 117.51 121.68 1ijg h ILE 268 Ca 0.16 -0.06 -0.06 0.00 -0.39 0.00 0.00 64.86 64.50 1ijg h ILE 268 Cb 0.56 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1ijg h ILE 268 CO 0.03 0.03 -0.11 0.78 -0.69 0.00 0.00 178.15 178.20 1ijg h ASN 269 N 0.19 0.39 0.07 1.72 2.35 -1.26 -1.82 115.58 117.22 1ijg h ASN 269 Ca 0.10 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1ijg h ASN 269 Cb 0.07 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1ijg h ASN 269 CO -0.11 0.54 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.10 1ijg h GLU 270 N 0.38 -0.09 -0.89 0.81 4.57 -0.91 0.69 114.58 119.14 1ijg h GLU 270 Ca 0.08 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 1ijg h GLU 270 Cb 0.43 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.98 1ijg h GLU 270 CO 0.02 0.39 0.57 1.25 -1.18 0.00 0.00 179.01 180.06 1ijg h LEU 271 N -0.95 0.91 -2.35 1.64 5.85 -0.89 -3.03 115.31 116.50 1ijg h LEU 271 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ijg h LEU 271 Cb 0.52 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1ijg h LEU 271 CO 0.02 0.60 0.00 -1.22 -0.34 0.00 0.00 178.44 177.49 1ijg n TYR 272 N -4.57 0.29 -3.68 1.25 4.02 -0.69 -4.99 117.16 108.79 1ijg n TYR 272 Ca 0.13 -0.32 -0.25 0.00 -0.01 0.00 0.00 57.90 57.45 1ijg n TYR 272 Cb 0.15 -0.02 0.06 0.00 -0.02 0.00 0.00 39.34 39.51 1ijg n TYR 272 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ijg n GLY 273 N 0.54 -0.49 1.57 2.72 0.00 0.16 -5.00 105.19 104.67 1ijg n GLY 273 Ca 0.10 0.21 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 1ijg n GLY 273 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ijg n LEU 274 N -4.77 0.00 -2.75 0.99 4.77 -0.72 -5.00 117.00 109.51 1ijg n LEU 274 Ca -0.04 -0.97 -0.04 0.00 -0.03 0.00 0.00 56.01 54.93 1ijg n LEU 274 Cb 0.57 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1ijg n LEU 274 CO 0.68 -0.61 -0.03 -3.20 -1.33 0.00 0.00 177.39 172.90 1ijg n ASN 275 N -2.78 1.38 -4.79 -1.43 4.05 -1.26 -4.63 115.26 105.79 1ijg n ASN 275 Ca 0.07 -2.34 -0.35 0.00 0.45 0.00 0.00 54.58 52.41 1ijg n ASN 275 Cb 0.24 -0.45 -0.05 0.00 1.23 0.00 0.00 39.78 40.76 1ijg n ASN 275 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1ijg s VAL 276 N -3.34 3.90 0.02 3.44 -7.23 -1.26 -4.66 120.40 111.28 1ijg s VAL 276 Ca 0.26 1.36 0.00 0.00 -1.81 0.00 0.00 61.98 61.79 1ijg s VAL 276 Cb 0.39 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.66 1ijg s VAL 276 CO -0.01 -0.09 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.11 1ijg s LYS 277 N -2.74 0.33 0.03 4.82 -0.14 -0.40 -4.90 119.74 116.74 1ijg s LYS 277 Ca 0.60 -0.59 0.08 0.00 -1.36 0.00 0.00 55.97 54.69 1ijg s LYS 277 Cb -0.18 0.02 -0.02 0.00 -1.68 0.00 0.00 37.83 35.96 1ijg s LYS 277 CO 0.23 -0.03 -0.23 0.08 -0.76 0.00 0.00 175.35 174.65 1ijg s VAL 278 N -1.33 1.81 0.20 3.17 1.01 -1.26 -0.61 120.40 123.39 1ijg s VAL 278 Ca -0.14 -1.17 -0.20 0.00 0.00 0.00 0.00 61.98 60.47 1ijg s VAL 278 Cb -0.09 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.78 1ijg s VAL 278 CO -0.01 0.33 0.60 -1.59 0.00 0.00 0.00 175.10 174.43 1ijg s LYS 279 N -1.00 1.45 0.10 2.72 -2.85 -0.85 -4.96 119.74 114.35 1ijg s LYS 279 Ca 0.09 -0.77 -0.31 0.00 -1.00 0.00 0.00 55.97 53.98 1ijg s LYS 279 Cb -0.09 0.56 -0.08 0.00 -2.06 0.00 0.00 37.83 36.16 1ijg s LYS 279 CO 0.01 -0.64 1.52 -0.06 0.10 0.00 0.00 175.35 176.29 1ijg s PHE 280 N -3.85 2.91 0.33 1.78 0.40 -1.26 -0.96 117.98 117.33 1ijg s PHE 280 Ca 0.07 0.66 0.06 0.00 -0.60 0.00 0.00 56.93 57.12 1ijg s PHE 280 Cb -0.02 -3.84 0.73 0.00 0.51 0.00 0.00 43.02 40.40 1ijg s PHE 280 CO -0.04 -3.13 1.85 -0.09 0.70 0.00 0.00 175.22 174.51 1ijg h ARG 281 N 7.35 0.77 -4.78 0.44 2.43 -1.66 -3.38 114.38 115.55 1ijg h ARG 281 Ca -0.42 -0.05 -0.68 0.00 -0.81 0.00 0.00 59.98 58.03 1ijg h ARG 281 Cb 1.20 -0.17 -0.24 0.00 -0.42 0.00 0.00 29.97 30.34 1ijg h ARG 281 CO 0.90 0.51 -0.58 -0.47 -1.51 0.00 0.00 179.97 178.82 1ijg s TYR 282 N -5.77 3.17 -0.30 2.20 6.14 -1.26 -4.96 117.35 116.56 1ijg s TYR 282 Ca -0.11 -0.75 -0.16 0.00 0.64 0.00 0.00 57.07 56.70 1ijg s TYR 282 Cb 0.22 -2.32 0.18 0.00 0.42 0.00 0.00 41.96 40.46 1ijg s TYR 282 CO 0.80 -0.51 1.15 0.34 0.64 0.00 0.00 175.55 177.97 1ijg s ASP 283 N 1.57 -0.22 0.29 4.32 -1.08 -1.26 -5.17 116.67 115.12 1ijg s ASP 283 Ca 0.04 0.11 -0.13 0.00 -0.52 0.00 0.00 52.55 52.04 1ijg s ASP 283 Cb -0.17 1.17 0.01 0.00 -1.46 0.00 0.00 42.92 42.47 1ijg s ASP 283 CO 0.05 -0.04 0.57 0.27 0.52 0.00 0.00 175.17 176.54 1ijg s ILE 284 N 2.98 0.00 0.00 4.11 -5.25 -1.26 -5.12 121.20 116.66 1ijg s ILE 284 Ca 0.02 -1.30 0.00 0.00 -0.99 0.00 0.00 60.65 58.38 1ijg s ILE 284 Cb -0.07 -2.34 0.00 0.00 2.95 0.00 0.00 42.46 43.00 1ijg s ILE 284 CO -0.12 0.00 0.00 0.52 -1.79 0.00 0.00 174.94 173.55