#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 0.00 0.27 0.44 5.41 -1.26 -4.27 119.36 119.95 1ijg n ILE 12 Ca 0.00 -0.43 0.11 0.00 1.00 0.00 0.00 62.75 63.43 1ijg n ILE 12 Cb 0.00 1.23 0.73 0.00 -0.71 0.00 0.00 39.64 40.90 1ijg n ILE 12 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1ijg h ASN 13 N 4.03 0.00 -0.04 4.38 2.35 -2.05 -1.40 115.58 122.85 1ijg h ASN 13 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1ijg h ASN 13 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1ijg h ASN 13 CO 0.00 0.00 -0.15 -0.33 -1.65 0.00 0.00 177.43 175.30 1ijg h GLU 14 N 0.00 0.18 -0.28 0.81 3.07 -2.00 -2.50 114.58 113.85 1ijg h GLU 14 Ca 0.00 -0.13 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 1ijg h GLU 14 Cb 0.02 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1ijg h GLU 14 CO -0.00 0.77 0.02 0.82 -1.40 0.00 0.00 179.01 179.22 1ijg h ILE 15 N -0.38 1.16 -0.33 3.13 1.08 -1.71 -1.99 117.51 118.47 1ijg h ILE 15 Ca -0.01 -0.61 -0.09 0.00 -0.39 0.00 0.00 64.86 63.76 1ijg h ILE 15 Cb 0.79 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 1ijg h ILE 15 CO 0.03 0.21 -0.14 -0.61 -0.69 0.00 0.00 178.15 176.95 1ijg h GLN 16 N 0.40 0.67 -0.77 2.37 -0.00 -1.29 -0.70 115.11 115.79 1ijg h GLN 16 Ca 0.09 -0.28 0.03 0.00 -0.00 0.00 0.00 58.65 58.49 1ijg h GLN 16 Cb 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.65 1ijg h GLN 16 CO 0.00 0.87 0.51 0.00 0.00 0.00 0.00 178.83 180.21 1ijg h ARG 17 N 0.44 0.93 -0.02 1.69 3.08 -1.00 0.18 114.38 119.68 1ijg h ARG 17 Ca 0.08 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 1ijg h ARG 17 Cb 0.66 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1ijg h ARG 17 CO 0.04 0.62 -0.68 0.37 -1.07 0.00 0.00 179.97 179.25 1ijg h GLN 18 N 0.96 0.11 -0.06 0.04 4.15 -1.10 -1.61 115.11 117.61 1ijg h GLN 18 Ca 0.30 -0.09 -0.13 0.00 0.77 0.00 0.00 58.65 59.50 1ijg h GLN 18 Cb 0.01 0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.73 1ijg h GLN 18 CO -0.08 0.75 -0.47 0.87 -1.93 0.00 0.00 178.83 177.97 1ijg h LYS 19 N 0.08 0.42 -0.28 1.69 1.57 0.17 -0.89 116.57 119.34 1ijg h LYS 19 Ca -0.01 -0.38 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 1ijg h LYS 19 Cb 1.22 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1ijg h LYS 19 CO 0.10 1.02 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.88 1ijg h ARG 20 N -0.05 0.43 -0.29 3.15 2.43 -0.72 -1.16 114.38 118.17 1ijg h ARG 20 Ca -0.04 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 58.92 1ijg h ARG 20 Cb 1.14 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1ijg h ARG 20 CO 0.10 0.49 -0.31 -0.97 -1.51 0.00 0.00 179.97 177.76 1ijg h ASN 21 N 0.41 0.62 -0.80 -3.80 -0.73 -1.22 0.46 115.58 110.52 1ijg h ASN 21 Ca 0.09 -0.24 -0.01 0.00 1.87 0.00 0.00 56.30 58.01 1ijg h ASN 21 Cb 0.33 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.71 1ijg h ASN 21 CO 0.01 0.89 0.48 0.03 -0.37 0.00 0.00 177.43 178.48 1ijg h ARG 22 N 0.52 1.10 -0.07 6.67 2.47 0.03 0.12 114.38 125.21 1ijg h ARG 22 Ca 0.06 -0.10 -0.23 0.00 -1.26 0.00 0.00 59.98 58.45 1ijg h ARG 22 Cb 0.79 -0.23 0.01 0.00 -1.65 0.00 0.00 29.97 28.89 1ijg h ARG 22 CO 0.06 0.78 -0.87 -1.49 0.56 0.00 0.00 179.97 179.02 1ijg h TRP 23 N 1.11 0.88 -0.13 3.04 4.06 -1.02 -1.53 115.95 122.35 1ijg h TRP 23 Ca 0.29 -0.43 0.03 0.00 2.06 0.00 0.00 58.89 60.84 1ijg h TRP 23 Cb -0.03 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 27.98 1ijg h TRP 23 CO -0.00 1.25 -0.07 0.35 -3.56 0.00 0.00 178.44 176.40 1ijg h PHE 24 N 0.40 -0.16 -0.87 0.49 3.57 -0.44 -0.23 116.94 119.70 1ijg h PHE 24 Ca -0.07 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ijg h PHE 24 Cb 1.49 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 40.28 1ijg h PHE 24 CO 0.08 -0.11 0.54 0.82 -2.23 0.00 0.00 178.31 177.41 1ijg h ILE 25 N -0.06 1.24 -0.12 1.41 1.08 -0.74 0.13 117.51 120.45 1ijg h ILE 25 Ca 0.07 -0.50 0.03 0.00 -0.39 0.00 0.00 64.86 64.07 1ijg h ILE 25 Cb 0.17 -0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.89 1ijg h ILE 25 CO -0.17 0.25 -0.07 -0.74 -0.69 0.00 0.00 178.15 176.73 1ijg h HIS 26 N 1.20 -0.17 -0.45 1.37 -0.00 -0.42 -0.69 115.15 116.00 1ijg h HIS 26 Ca 0.31 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.58 1ijg h HIS 26 Cb -0.07 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.42 1ijg h HIS 26 CO -0.00 -0.11 -0.18 1.88 -0.00 0.00 0.00 177.93 179.52 1ijg h TYR 27 N -0.07 0.97 -0.14 5.26 0.99 -0.73 -0.66 116.97 122.60 1ijg h TYR 27 Ca 0.07 -0.21 -0.00 0.00 2.00 0.00 0.00 58.73 60.58 1ijg h TYR 27 Cb 0.17 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.66 1ijg h TYR 27 CO -0.19 0.97 0.07 1.25 -0.00 0.00 0.00 178.16 180.25 1ijg h LEU 28 N 0.76 0.18 -0.61 3.88 6.46 -0.71 0.15 115.31 125.42 1ijg h LEU 28 Ca 0.11 -0.11 -0.13 0.00 -0.12 0.00 0.00 57.88 57.63 1ijg h LEU 28 Cb 0.71 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1ijg h LEU 28 CO 0.05 0.24 -0.33 0.78 -0.62 0.00 0.00 178.44 178.57 1ijg h ASN 29 N 0.10 0.78 -0.15 1.25 2.35 -1.09 -0.65 115.58 118.17 1ijg h ASN 29 Ca 0.05 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1ijg h ASN 29 Cb 0.11 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1ijg h ASN 29 CO -0.01 1.04 0.06 0.22 -1.65 0.00 0.00 177.43 177.09 1ijg h TYR 30 N 0.63 0.23 -0.59 1.19 3.20 -0.94 0.67 116.97 121.36 1ijg h TYR 30 Ca 0.07 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1ijg h TYR 30 Cb 0.86 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 1ijg h TYR 30 CO 0.04 0.31 0.21 -0.07 -1.64 0.00 0.00 178.16 177.01 1ijg h LEU 31 N 0.09 0.85 -0.19 2.82 3.38 -0.62 -1.57 115.31 120.06 1ijg h LEU 31 Ca 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1ijg h LEU 31 Cb 0.17 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ijg h LEU 31 CO -0.00 0.81 0.08 1.56 0.09 0.00 0.00 178.44 180.98 1ijg h GLN 32 N 0.83 0.29 -0.80 1.13 4.20 -0.91 0.17 115.11 120.03 1ijg h GLN 32 Ca 0.19 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.95 1ijg h GLN 32 Cb 0.25 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.93 1ijg h GLN 32 CO -0.01 0.34 0.52 0.66 -0.67 0.00 0.00 178.83 179.67 1ijg h SER 33 N 0.17 0.67 -0.18 1.46 4.64 -0.66 0.13 113.55 119.78 1ijg h SER 33 Ca 0.07 0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 1ijg h SER 33 Cb 0.15 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1ijg h SER 33 CO -0.01 0.40 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.84 1ijg h LEU 34 N 0.74 0.69 0.47 5.97 3.38 -0.71 -3.02 115.31 122.84 1ijg h LEU 34 Ca 0.37 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1ijg h LEU 34 Cb 0.45 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ijg h LEU 34 CO -0.14 1.14 -0.23 0.00 0.09 0.00 0.00 178.44 179.30 1ijg h ALA 35 N 0.57 -0.63 -0.98 1.53 0.00 0.46 -2.96 119.26 117.24 1ijg h ALA 35 Ca -0.00 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.91 1ijg h ALA 35 Cb 1.05 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1ijg h ALA 35 CO 0.10 -0.82 0.61 1.88 0.00 0.00 0.00 179.25 181.02 1ijg h TYR 36 N -0.70 1.01 0.00 0.00 0.05 -0.88 -0.66 116.97 115.78 1ijg h TYR 36 Ca -0.06 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1ijg h TYR 36 Cb 0.52 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1ijg h TYR 36 CO -0.03 0.30 0.00 0.94 -1.05 0.00 0.00 178.16 178.33 1ijg n GLN 37 N -4.66 0.01 -0.23 4.88 0.00 -1.14 -4.01 117.38 112.23 1ijg n GLN 37 Ca 0.21 0.10 0.00 0.00 -0.00 0.00 0.00 57.00 57.31 1ijg n GLN 37 Cb 0.50 -1.51 0.08 0.00 0.00 0.00 0.00 30.24 29.31 1ijg n GLN 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1ijg h LEU 38 N 0.00 -0.58 -9.56 1.69 5.85 -0.95 -3.40 115.31 108.37 1ijg h LEU 38 Ca 0.00 0.20 -0.65 0.00 0.84 0.00 0.00 57.88 58.27 1ijg h LEU 38 Cb 0.41 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 41.74 1ijg h LEU 38 CO 0.00 -0.21 -0.60 -0.36 -0.34 0.00 0.00 178.44 176.93 1ijg s PHE 39 N -6.22 3.20 -0.11 1.25 0.08 -1.26 0.48 117.98 115.41 1ijg s PHE 39 Ca -0.14 0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.06 1ijg s PHE 39 Cb 0.20 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.99 1ijg s PHE 39 CO 0.74 0.52 -0.18 -2.00 -0.10 0.00 0.00 175.22 174.20 1ijg s GLU 40 N -1.98 2.53 0.02 0.44 2.12 -0.18 -4.70 118.70 116.95 1ijg s GLU 40 Ca 0.25 -0.68 -0.01 0.00 0.36 0.00 0.00 54.97 54.89 1ijg s GLU 40 Cb -0.12 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.19 1ijg s GLU 40 CO 0.17 0.02 0.15 -1.58 -0.54 0.00 0.00 175.26 173.48 1ijg s TRP 41 N 0.74 3.44 0.07 5.30 0.52 -1.26 -2.06 118.94 125.69 1ijg s TRP 41 Ca -0.11 0.26 0.05 0.00 0.02 0.00 0.00 56.10 56.32 1ijg s TRP 41 Cb -0.16 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.37 1ijg s TRP 41 CO 0.02 0.60 -0.14 -1.21 0.02 0.00 0.00 176.95 176.24 1ijg s GLU 42 N -2.10 0.81 -1.34 4.98 0.41 0.34 -4.79 118.70 117.00 1ijg s GLU 42 Ca 0.29 -0.95 -0.02 0.00 -0.41 0.00 0.00 54.97 53.87 1ijg s GLU 42 Cb -0.13 -0.80 0.00 0.00 -1.78 0.00 0.00 34.13 31.43 1ijg s GLU 42 CO 0.20 0.18 0.26 0.09 -0.49 0.00 0.00 175.26 175.50 1ijg n ASN 43 N 1.26 -5.13 -4.77 -0.19 3.02 -1.26 -1.21 115.26 106.99 1ijg n ASN 43 Ca -0.21 -0.13 -0.39 0.00 -0.03 0.00 0.00 54.58 53.82 1ijg n ASN 43 Cb 0.54 -4.09 -0.06 0.00 -0.61 0.00 0.00 39.78 35.56 1ijg n ASN 43 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ijg s LEU 44 N -5.18 4.51 0.31 3.41 1.43 -1.26 -4.12 118.68 117.78 1ijg s LEU 44 Ca 0.13 1.83 -0.29 0.00 -1.03 0.00 0.00 54.13 54.77 1ijg s LEU 44 Cb -0.06 -3.71 -0.12 0.00 0.03 0.00 0.00 46.19 42.33 1ijg s LEU 44 CO 0.16 0.08 1.38 -2.65 0.23 0.00 0.00 176.35 175.55 1ijg n PRO 45 N 1.12 2.24 0.30 1.29 -0.02 -1.26 -4.80 135.00 133.87 1ijg n PRO 45 Ca -0.01 0.79 0.13 0.00 -2.02 0.00 0.00 63.50 62.39 1ijg n PRO 45 Cb 0.49 -2.44 0.68 0.00 -0.02 0.00 0.00 33.50 32.21 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 3.31 0.00 -0.00 0.52 0.13 -1.96 0.15 132.00 134.14 1ijg h PRO 46 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.68 0.00 -0.02 0.25 -0.23 0.00 0.00 178.00 178.69 1ijg n THR 47 N -2.68 0.00 -3.99 1.56 -2.24 -1.26 -4.77 114.28 100.89 1ijg n THR 47 Ca -0.02 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.36 1ijg n THR 47 Cb 0.40 -0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 1ijg n THR 47 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1ijg s ILE 48 N -2.12 4.65 -0.58 2.28 1.09 0.52 -4.66 121.20 122.37 1ijg s ILE 48 Ca 0.42 -0.08 -0.22 0.00 -1.10 0.00 0.00 60.65 59.67 1ijg s ILE 48 Cb 0.21 -3.11 0.06 0.00 -1.06 0.00 0.00 42.46 38.57 1ijg s ILE 48 CO 0.39 0.44 0.86 0.21 -0.10 0.00 0.00 174.94 176.74 1ijg s ASN 49 N 0.61 6.25 0.24 3.58 3.04 -1.26 -4.88 114.94 122.51 1ijg s ASN 49 Ca 0.03 -0.77 -0.04 0.00 0.04 0.00 0.00 52.86 52.12 1ijg s ASN 49 Cb -0.13 -2.39 0.44 0.00 -1.54 0.00 0.00 41.25 37.63 1ijg s ASN 49 CO 0.01 -1.22 1.76 1.55 -3.04 0.00 0.00 177.10 176.16 1ijg h PRO 50 N 9.32 0.54 0.18 0.43 0.13 -1.97 0.37 132.00 141.00 1ijg h PRO 50 Ca -0.28 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ijg h PRO 50 Cb 1.08 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1ijg h PRO 50 CO 1.09 0.35 -0.14 0.77 -0.23 0.00 0.00 178.00 179.84 1ijg h SER 51 N 0.55 -0.37 -0.86 1.44 0.02 -1.97 -2.15 113.55 110.20 1ijg h SER 51 Ca 0.40 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.41 1ijg h SER 51 Cb 0.54 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.16 1ijg h SER 51 CO -0.34 -0.23 0.56 0.15 -1.14 0.00 0.00 176.83 175.83 1ijg h PHE 52 N -0.34 1.05 0.25 3.45 3.57 -1.85 -1.29 116.94 121.79 1ijg h PHE 52 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1ijg h PHE 52 Cb 0.30 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1ijg h PHE 52 CO -0.11 0.62 -0.49 1.25 -2.23 0.00 0.00 178.31 177.35 1ijg h LEU 53 N 1.10 -1.43 -0.41 0.59 5.85 -0.58 -1.74 115.31 118.69 1ijg h LEU 53 Ca 0.33 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 59.14 1ijg h LEU 53 Cb -0.04 0.51 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1ijg h LEU 53 CO -0.10 -0.58 0.07 -0.33 -0.34 0.00 0.00 178.44 177.16 1ijg h GLU 54 N -0.82 0.68 -0.67 1.25 4.39 -1.27 -2.42 114.58 115.73 1ijg h GLU 54 Ca -0.02 -0.18 0.06 0.00 0.34 0.00 0.00 59.36 59.57 1ijg h GLU 54 Cb 0.78 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 1ijg h GLU 54 CO -0.20 0.72 0.44 0.87 -1.16 0.00 0.00 179.01 179.68 1ijg h LYS 55 N 0.53 0.65 -0.11 2.33 1.57 -1.18 -1.62 116.57 118.75 1ijg h LYS 55 Ca 0.13 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1ijg h LYS 55 Cb 0.37 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1ijg h LYS 55 CO 0.01 0.43 -0.10 0.77 -0.57 0.00 0.00 179.45 179.99 1ijg h SER 56 N 0.67 0.27 -0.48 0.86 0.02 -1.09 -0.90 113.55 112.90 1ijg h SER 56 Ca 0.29 -0.48 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1ijg h SER 56 Cb 0.28 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1ijg h SER 56 CO -0.09 0.69 0.32 0.40 -1.14 0.00 0.00 176.83 177.01 1ijg h ILE 57 N -0.14 1.09 0.14 3.27 2.04 -0.94 -0.91 117.51 122.06 1ijg h ILE 57 Ca 0.02 -0.21 -0.30 0.00 1.00 0.00 0.00 64.86 65.37 1ijg h ILE 57 Cb 0.61 0.43 0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1ijg h ILE 57 CO 0.03 0.11 -1.27 0.45 0.00 0.00 0.00 178.15 177.46 1ijg h HIS 58 N 0.60 0.90 -0.02 1.37 3.86 -1.25 -1.77 115.15 118.84 1ijg h HIS 58 Ca 0.19 -0.59 -0.20 0.00 -1.16 0.00 0.00 60.37 58.61 1ijg h HIS 58 Cb 0.01 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1ijg h HIS 58 CO -0.00 1.44 -0.85 1.96 0.86 0.00 0.00 177.93 181.34 1ijg h GLN 59 N 0.21 0.30 0.00 2.45 4.20 -0.79 0.54 115.11 122.02 1ijg h GLN 59 Ca -0.19 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.21 1ijg h GLN 59 Cb 1.95 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.81 1ijg h GLN 59 CO 0.24 0.98 -1.43 1.19 -0.67 0.00 0.00 178.83 179.14 1ijg n PHE 60 N -3.73 0.00 0.00 2.96 0.99 -0.38 -4.79 117.46 112.51 1ijg n PHE 60 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 1ijg n PHE 60 Cb 0.78 -0.23 0.00 0.00 -1.00 0.00 0.00 39.48 39.03 1ijg n PHE 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ijg n GLY 61 N 2.05 0.40 3.61 1.37 0.00 -0.67 -4.44 105.19 107.50 1ijg n GLY 61 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.19 0.00 117.35 116.84 1ijg s TYR 62 Ca 0.00 0.02 -0.08 0.00 -1.41 0.00 0.00 57.07 55.60 1ijg s TYR 62 Cb 0.00 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.39 1ijg s TYR 62 CO 0.00 -0.22 0.16 0.54 -2.51 0.00 0.00 175.55 173.52 1ijg s VAL 63 N -2.40 0.10 0.01 -3.49 0.11 -0.83 -4.29 120.40 109.62 1ijg s VAL 63 Ca 0.11 -0.86 -0.14 0.00 -2.93 0.00 0.00 61.98 58.16 1ijg s VAL 63 Cb 0.01 -0.76 -0.06 0.00 -1.53 0.00 0.00 36.38 34.05 1ijg s VAL 63 CO -0.04 -0.48 0.41 -0.83 -3.33 0.00 0.00 175.10 170.83 1ijg s GLY 64 N -1.87 2.46 -0.34 6.54 0.00 0.16 -1.18 107.32 113.10 1ijg s GLY 64 Ca -0.08 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.42 1ijg s GLY 64 CO -0.02 0.10 0.07 -0.12 0.00 0.00 0.00 173.10 173.13 1ijg s PHE 65 N -1.13 3.19 -0.01 1.90 5.36 0.69 -0.34 117.98 127.63 1ijg s PHE 65 Ca 0.25 -2.67 0.06 0.00 -0.96 0.00 0.00 56.93 53.61 1ijg s PHE 65 Cb -0.16 -2.59 -0.01 0.00 -0.34 0.00 0.00 43.02 39.91 1ijg s PHE 65 CO 0.14 -0.92 -0.18 -0.47 -1.46 0.00 0.00 175.22 172.33 1ijg s TYR 66 N 1.06 1.59 -0.93 10.12 5.04 -0.69 -1.22 117.35 132.32 1ijg s TYR 66 Ca 0.11 -0.31 -0.17 0.00 -2.44 0.00 0.00 57.07 54.27 1ijg s TYR 66 Cb -0.19 -1.02 0.17 0.00 0.35 0.00 0.00 41.96 41.27 1ijg s TYR 66 CO -0.12 -0.02 1.05 0.21 -1.34 0.00 0.00 175.55 175.33 1ijg s LYS 67 N -0.49 3.67 0.23 4.97 2.20 -1.26 -0.31 119.74 128.74 1ijg s LYS 67 Ca 0.07 -2.09 -0.31 0.00 -0.36 0.00 0.00 55.97 53.27 1ijg s LYS 67 Cb -0.07 -4.78 -0.11 0.00 -1.51 0.00 0.00 37.83 31.36 1ijg s LYS 67 CO -0.00 -1.61 1.61 0.34 -0.36 0.00 0.00 175.35 175.33 1ijg s ASP 68 N 3.05 6.46 0.59 1.43 2.15 -0.65 -4.82 116.67 124.89 1ijg s ASP 68 Ca 0.29 2.80 0.37 0.00 0.43 0.00 0.00 52.55 56.45 1ijg s ASP 68 Cb -0.06 -2.61 1.79 0.00 -0.30 0.00 0.00 42.92 41.73 1ijg s ASP 68 CO -0.08 -0.89 2.14 1.55 -0.17 0.00 0.00 175.17 177.72 1ijg h PRO 69 N 6.04 0.00 0.00 4.34 0.13 -1.95 0.62 132.00 141.18 1ijg h PRO 69 Ca -0.44 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.44 1ijg h PRO 69 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1ijg h PRO 69 CO 0.88 0.02 -1.80 0.28 -0.23 0.00 0.00 178.00 177.15 1ijg n VAL 70 N -3.15 1.51 0.46 1.56 0.31 -1.26 -4.66 118.33 113.10 1ijg n VAL 70 Ca -0.01 -0.13 0.11 0.00 -0.01 0.00 0.00 64.34 64.30 1ijg n VAL 70 Cb 0.21 -2.11 0.26 0.00 -0.91 0.00 0.00 33.84 31.30 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 -4.35 0.51 -4.36 2.52 -5.35 -1.25 -5.08 119.36 102.01 1ijg n ILE 71 Ca -0.35 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 1ijg n ILE 71 Cb 0.71 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 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 1.18 -1.66 -4.63 7.28 2.88 0.21 -4.82 113.62 114.06 1ijg n SER 72 Ca 0.19 0.00 -0.49 0.00 -1.33 0.00 0.00 58.87 57.24 1ijg n SER 72 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.39 1.87 -3.81 0.66 4.02 -1.26 -1.63 117.16 116.62 1ijg n TYR 73 Ca 0.00 0.47 -0.12 0.00 -0.01 0.00 0.00 57.90 58.23 1ijg n TYR 73 Cb 0.00 -2.43 -0.12 0.00 -0.02 0.00 0.00 39.34 36.77 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 0.67 0.01 -0.20 -0.72 2.07 0.58 -4.31 121.20 119.30 1ijg s ILE 74 Ca 0.82 -0.06 -0.12 0.00 -1.41 0.00 0.00 60.65 59.87 1ijg s ILE 74 Cb -0.82 -0.30 -0.05 0.00 0.13 0.00 0.00 42.46 41.41 1ijg s ILE 74 CO 0.43 -0.03 0.24 0.00 -1.91 0.00 0.00 174.94 173.67 1ijg s ALA 75 N -0.02 3.61 0.03 1.50 0.00 -1.26 -1.69 121.76 123.92 1ijg s ALA 75 Ca -0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 1ijg s ALA 75 Cb -0.02 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 1ijg s ALA 75 CO 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 175.76 175.71 1ijg s ASN 77 N -1.79 6.04 0.00 0.00 0.01 -1.26 0.38 114.94 118.32 1ijg s ASN 77 Ca -0.11 0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.21 1ijg s ASN 77 Cb -0.06 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.83 1ijg s ASN 77 CO -0.03 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.34 1ijg n GLY 78 N 0.37 0.94 3.63 0.66 0.00 -1.26 -2.74 105.19 106.79 1ijg n GLY 78 Ca -0.06 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 3.12 -0.29 4.61 0.00 -1.06 -4.93 121.76 122.20 1ijg s ALA 79 Ca 0.00 -1.35 -0.15 0.00 0.00 0.00 0.00 51.96 50.46 1ijg s ALA 79 Cb 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1ijg s ALA 79 CO 0.00 0.52 0.37 -0.51 0.00 0.00 0.00 175.76 176.14 1ijg s LEU 80 N -2.76 4.15 0.00 0.00 1.43 -1.26 -1.07 118.68 119.16 1ijg s LEU 80 Ca 0.26 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1ijg s LEU 80 Cb -0.10 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1ijg s LEU 80 CO 0.17 -0.23 0.00 -0.24 0.23 0.00 0.00 176.35 176.28 1ijg n SER 81 N 5.36 0.69 0.00 2.29 2.88 0.85 -4.99 113.62 120.70 1ijg n SER 81 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1ijg n SER 81 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 1.75 -1.44 3.73 0.46 0.00 -1.26 -1.52 105.19 106.90 1ijg n GLY 82 Ca 0.00 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.26 4.34 0.32 1.61 0.74 -1.26 -4.59 119.66 118.56 1ijg s GLN 83 Ca 0.00 2.10 -0.28 0.00 0.05 0.00 0.00 55.36 57.23 1ijg s GLN 83 Cb 0.00 -3.21 -0.09 0.00 1.10 0.00 0.00 33.01 30.80 1ijg s GLN 83 CO 0.00 -0.37 1.16 1.03 -0.55 0.00 0.00 175.29 176.56 1ijg s ARG 84 N 0.53 4.42 0.26 1.67 1.81 -1.26 -4.09 118.95 122.29 1ijg s ARG 84 Ca 0.61 1.89 -0.04 0.00 -1.72 0.00 0.00 55.73 56.47 1ijg s ARG 84 Cb -0.37 -3.02 0.06 0.00 -0.45 0.00 0.00 34.95 31.17 1ijg s ARG 84 CO 0.34 -0.01 0.35 -0.40 -0.68 0.00 0.00 175.30 174.90 1ijg n ASP 85 N 0.79 -0.04 0.29 0.23 5.75 -0.68 -4.77 116.55 118.12 1ijg n ASP 85 Ca 0.01 -1.10 0.18 0.00 -0.01 0.00 0.00 54.79 53.86 1ijg n ASP 85 Cb 0.45 -0.27 0.94 0.00 -1.03 0.00 0.00 41.12 41.20 1ijg n ASP 85 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1ijg h VAL 86 N -1.24 0.16 -0.47 2.12 -1.51 -1.96 0.15 116.25 113.50 1ijg h VAL 86 Ca -0.11 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.24 1ijg h VAL 86 Cb 0.32 0.81 -0.07 0.00 -2.13 0.00 0.00 31.29 30.22 1ijg h VAL 86 CO 0.08 0.00 0.09 -1.22 -1.23 0.00 0.00 177.57 175.29 1ijg n TYR 87 N -3.25 1.58 -1.39 5.19 0.53 -1.26 -4.93 117.16 113.63 1ijg n TYR 87 Ca -0.01 -1.13 -0.14 0.00 -1.02 0.00 0.00 57.90 55.60 1ijg n TYR 87 Cb 0.29 -0.50 -0.06 0.00 -1.03 0.00 0.00 39.34 38.04 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 -0.45 -5.35 -4.84 7.72 4.05 0.51 -4.96 115.26 111.93 1ijg n ASN 88 Ca 0.31 0.34 -0.32 0.00 0.45 0.00 0.00 54.58 55.36 1ijg n ASN 88 Cb 1.12 -4.24 -0.05 0.00 1.23 0.00 0.00 39.78 37.84 1ijg n ASN 88 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1ijg s GLN 89 N -3.14 3.99 0.52 1.20 -0.21 -1.26 -4.70 119.66 116.07 1ijg s GLN 89 Ca 0.00 0.88 -0.20 0.00 0.02 0.00 0.00 55.36 56.05 1ijg s GLN 89 Cb 0.00 -2.22 -0.06 0.00 1.00 0.00 0.00 33.01 31.72 1ijg s GLN 89 CO 0.00 -0.12 1.14 0.00 -2.12 0.00 0.00 175.29 174.19 1ijg s ALA 90 N -2.40 2.77 -0.02 6.09 0.00 -1.26 -1.69 121.76 125.25 1ijg s ALA 90 Ca 0.58 0.86 0.01 0.00 0.00 0.00 0.00 51.96 53.41 1ijg s ALA 90 Cb -0.10 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1ijg s ALA 90 CO 0.25 -0.75 0.03 -2.37 0.00 0.00 0.00 175.76 172.93 1ijg n THR 91 N -1.08 0.00 -4.59 0.00 5.66 -1.05 -4.84 114.28 108.38 1ijg n THR 91 Ca 0.10 -0.15 -0.23 0.00 -3.05 0.00 0.00 64.05 60.72 1ijg n THR 91 Cb 0.50 0.61 -0.16 0.00 -1.55 0.00 0.00 70.33 69.73 1ijg n THR 91 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1ijg s VAL 92 N -1.83 1.10 -0.26 1.08 1.01 -0.58 -0.02 120.40 120.91 1ijg s VAL 92 Ca -0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1ijg s VAL 92 Cb 0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1ijg s VAL 92 CO 0.05 0.33 0.04 0.12 0.00 0.00 0.00 175.10 175.64 1ijg s PHE 93 N 0.27 3.07 -1.09 5.22 5.36 -0.13 -0.10 117.98 130.57 1ijg s PHE 93 Ca -0.06 -0.81 -0.05 0.00 -0.96 0.00 0.00 56.93 55.04 1ijg s PHE 93 Cb -0.12 -2.20 0.30 0.00 -0.34 0.00 0.00 43.02 40.67 1ijg s PHE 93 CO 0.02 -0.50 1.41 0.54 -1.46 0.00 0.00 175.22 175.23 1ijg n ARG 94 N 4.86 4.28 -2.13 10.12 1.74 -0.23 -2.36 116.66 132.94 1ijg n ARG 94 Ca -0.16 -4.53 -0.42 0.00 -0.77 0.00 0.00 57.85 51.97 1ijg n ARG 94 Cb 0.50 -2.52 -0.03 0.00 -1.02 0.00 0.00 32.46 29.39 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 -2.44 3.61 -0.30 7.54 0.00 -0.73 -2.58 121.76 126.87 1ijg s ALA 95 Ca 0.31 1.02 -0.19 0.00 0.00 0.00 0.00 51.96 53.10 1ijg s ALA 95 Cb 0.02 -3.61 0.19 0.00 0.00 0.00 0.00 23.12 19.72 1ijg s ALA 95 CO 0.07 -0.90 1.27 0.00 0.00 0.00 0.00 175.76 176.19 1ijg s ALA 96 N 2.18 -2.43 0.00 0.00 0.00 -1.11 -0.10 121.76 120.30 1ijg s ALA 96 Ca 0.67 1.91 0.00 0.00 0.00 0.00 0.00 51.96 54.53 1ijg s ALA 96 Cb -0.35 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1ijg s ALA 96 CO 0.29 -0.24 0.00 0.43 0.00 0.00 0.00 175.76 176.23 1ijg n SER 97 N 2.63 0.00 0.00 0.00 7.64 -1.05 -4.78 113.62 118.06 1ijg n SER 97 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1ijg n SER 97 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1ijg n SER 97 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ijg n PRO 98 N 0.00 0.00 -0.28 1.43 -0.04 -1.26 -4.76 135.00 130.09 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 0.27 0.00 -0.04 0.00 0.00 33.50 33.73 1ijg n PRO 98 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ijg n VAL 99 N 0.00 0.73 -4.42 0.52 0.31 -1.26 -4.84 118.33 109.37 1ijg n VAL 99 Ca 0.00 -0.78 -0.24 0.00 -0.01 0.00 0.00 64.34 63.31 1ijg n VAL 99 Cb 0.00 0.50 -0.17 0.00 -0.91 0.00 0.00 33.84 33.27 1ijg n VAL 99 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1ijg s TYR 100 N -1.27 1.29 -0.09 3.52 5.04 -1.26 -5.11 117.35 119.47 1ijg s TYR 100 Ca 0.40 -0.48 -0.04 0.00 -2.44 0.00 0.00 57.07 54.52 1ijg s TYR 100 Cb 0.21 -0.99 0.05 0.00 0.35 0.00 0.00 41.96 41.58 1ijg s TYR 100 CO 0.29 -0.28 0.19 -1.14 -1.34 0.00 0.00 175.55 173.27 1ijg s GLN 101 N 0.82 0.08 0.07 4.97 0.74 -1.26 -2.53 119.66 122.55 1ijg s GLN 101 Ca -0.12 0.58 -0.26 0.00 0.05 0.00 0.00 55.36 55.61 1ijg s GLN 101 Cb -0.15 -0.19 0.09 0.00 1.10 0.00 0.00 33.01 33.86 1ijg s GLN 101 CO 0.02 -0.27 0.74 0.21 -0.55 0.00 0.00 175.29 175.44 1ijg s LYS 102 N 2.09 1.05 0.04 1.67 2.47 0.86 -4.97 119.74 122.96 1ijg s LYS 102 Ca -0.00 -0.34 0.07 0.00 -1.56 0.00 0.00 55.97 54.13 1ijg s LYS 102 Cb -0.12 0.49 -0.02 0.00 -1.46 0.00 0.00 37.83 36.71 1ijg s LYS 102 CO -0.07 -0.45 -0.19 -1.21 0.16 0.00 0.00 175.35 173.59 1ijg s GLU 103 N -3.28 1.27 -0.02 4.03 2.02 -1.26 -1.77 118.70 119.68 1ijg s GLU 103 Ca 0.02 -0.90 -0.29 0.00 0.02 0.00 0.00 54.97 53.82 1ijg s GLU 103 Cb -0.01 -1.36 0.07 0.00 0.10 0.00 0.00 34.13 32.92 1ijg s GLU 103 CO -0.10 0.34 0.64 -0.59 0.02 0.00 0.00 175.26 175.57 1ijg s PHE 104 N -0.83 -0.60 0.41 1.61 -0.71 -0.99 -5.01 117.98 111.86 1ijg s PHE 104 Ca 0.06 0.97 -0.24 0.00 -1.04 0.00 0.00 56.93 56.68 1ijg s PHE 104 Cb -0.09 0.40 -0.09 0.00 -1.21 0.00 0.00 43.02 42.03 1ijg s PHE 104 CO 0.02 -0.62 1.07 0.15 -1.34 0.00 0.00 175.22 174.50 1ijg s LYS 105 N -1.48 4.10 -0.14 1.99 3.01 -1.26 -0.96 119.74 125.00 1ijg s LYS 105 Ca -0.10 1.56 -0.11 0.00 -1.01 0.00 0.00 55.97 56.32 1ijg s LYS 105 Cb -0.00 -2.53 -0.05 0.00 -1.01 0.00 0.00 37.83 34.24 1ijg s LYS 105 CO 0.07 -0.21 0.22 -0.51 0.51 0.00 0.00 175.35 175.43 1ijg s LEU 106 N -2.69 4.30 -0.17 3.17 1.43 0.97 -0.04 118.68 125.64 1ijg s LEU 106 Ca 0.59 0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 53.86 1ijg s LEU 106 Cb -0.23 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1ijg s LEU 106 CO 0.29 0.23 1.03 -0.47 0.23 0.00 0.00 176.35 177.66 1ijg s TYR 107 N -0.14 3.41 0.00 0.29 5.04 0.80 -4.88 117.35 121.87 1ijg s TYR 107 Ca 0.14 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1ijg s TYR 107 Cb -0.13 -3.24 0.00 0.00 0.35 0.00 0.00 41.96 38.95 1ijg s TYR 107 CO 0.03 -0.38 0.00 0.09 -1.34 0.00 0.00 175.55 173.96 1ijg n ASN 108 N 5.74 3.37 -4.24 4.32 3.02 -1.26 -4.81 115.26 121.40 1ijg n ASN 108 Ca 0.11 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.32 1ijg n ASN 108 Cb 0.47 0.51 -0.15 0.00 -0.61 0.00 0.00 39.78 40.00 1ijg n ASN 108 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ijg s TYR 109 N -1.50 2.77 0.21 3.10 2.02 -1.26 -5.00 117.35 117.69 1ijg s TYR 109 Ca 0.00 -1.14 0.10 0.00 -0.37 0.00 0.00 57.07 55.67 1ijg s TYR 109 Cb 0.00 -1.89 0.72 0.00 -0.40 0.00 0.00 41.96 40.39 1ijg s TYR 109 CO 0.00 -0.53 0.89 -2.13 -1.57 0.00 0.00 175.55 172.22 1ijg n ARG 110 N 4.15 -0.04 -1.51 -0.62 3.00 -1.26 0.03 116.66 120.41 1ijg n ARG 110 Ca -0.19 0.79 -0.24 0.00 -0.00 0.00 0.00 57.85 58.21 1ijg n ARG 110 Cb 0.51 -1.40 0.08 0.00 0.00 0.00 0.00 32.46 31.66 1ijg n ARG 110 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ijg n ASP 111 N -4.34 5.37 -2.39 6.15 10.43 -1.26 -4.59 116.55 125.93 1ijg n ASP 111 Ca 0.20 -3.77 -0.14 0.00 2.57 0.00 0.00 54.79 53.65 1ijg n ASP 111 Cb 0.69 -0.64 0.03 0.00 1.84 0.00 0.00 41.12 43.04 1ijg n ASP 111 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93 1ijg n MET 112 N -0.88 2.78 -2.26 -1.24 1.56 0.10 -5.08 117.12 112.11 1ijg n MET 112 Ca 0.49 -3.90 -0.41 0.00 -0.27 0.00 0.00 57.70 53.61 1ijg n MET 112 Cb 0.90 -1.98 -0.03 0.00 2.15 0.00 0.00 33.22 34.26 1ijg n MET 112 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1ijg s LYS 113 N -3.65 4.45 -0.05 2.12 1.02 -1.26 -4.86 119.74 117.51 1ijg s LYS 113 Ca 0.41 2.03 -0.07 0.00 0.02 0.00 0.00 55.97 58.35 1ijg s LYS 113 Cb 0.38 -3.16 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 1ijg s LYS 113 CO -0.00 -0.10 0.19 -1.21 -0.92 0.00 0.00 175.35 173.30 1ijg s GLU 114 N -1.00 0.32 0.30 1.68 2.02 -1.26 -5.13 118.70 115.64 1ijg s GLU 114 Ca 0.51 0.09 -0.29 0.00 0.02 0.00 0.00 54.97 55.30 1ijg s GLU 114 Cb -0.36 0.15 -0.13 0.00 0.10 0.00 0.00 34.13 33.88 1ijg s GLU 114 CO 0.44 -0.06 1.25 -0.85 0.02 0.00 0.00 175.26 176.06 1ijg n GLU 115 N 2.51 1.91 -3.35 1.61 0.00 -1.26 -3.21 120.64 118.85 1ijg n GLU 115 Ca -0.16 0.67 -0.16 0.00 0.00 0.00 0.00 57.16 57.52 1ijg n GLU 115 Cb 0.58 -2.22 0.04 0.00 0.00 0.00 0.00 31.44 29.84 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 1.20 -6.50 -4.28 -1.84 -0.08 -1.26 -5.04 116.55 98.74 1ijg n ASP 116 Ca 0.07 -0.64 -0.21 0.00 -1.51 0.00 0.00 54.79 52.50 1ijg n ASP 116 Cb 0.34 -4.54 -0.12 0.00 2.34 0.00 0.00 41.12 39.14 1ijg n ASP 116 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 1ijg s MET 117 N -4.48 1.14 0.41 -0.67 1.75 -1.20 -4.25 119.30 112.00 1ijg s MET 117 Ca 0.32 -1.27 0.03 0.00 -1.25 0.00 0.00 55.69 53.52 1ijg s MET 117 Cb -0.07 -1.18 -0.03 0.00 2.84 0.00 0.00 34.83 36.39 1ijg s MET 117 CO 0.78 0.25 0.11 0.20 -0.65 0.00 0.00 175.02 175.71 1ijg s GLY 118 N -2.38 2.61 0.03 2.11 0.00 0.94 -4.56 107.32 106.06 1ijg s GLY 118 Ca 0.10 -1.22 0.06 0.00 0.00 0.00 0.00 44.72 43.66 1ijg s GLY 118 CO 0.05 -1.87 -0.17 0.14 0.00 0.00 0.00 173.10 171.24 1ijg s VAL 119 N -3.18 1.35 -0.20 1.40 1.01 -0.36 -0.14 120.40 120.29 1ijg s VAL 119 Ca 0.23 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1ijg s VAL 119 Cb 0.03 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1ijg s VAL 119 CO 0.13 0.17 0.11 -0.69 0.00 0.00 0.00 175.10 174.83 1ijg s VAL 120 N -0.70 5.19 -0.43 2.92 1.01 -1.26 -0.22 120.40 126.89 1ijg s VAL 120 Ca 0.05 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1ijg s VAL 120 Cb -0.08 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 32.99 1ijg s VAL 120 CO 0.01 0.43 0.32 -0.63 0.00 0.00 0.00 175.10 175.23 1ijg s ILE 121 N 0.49 4.96 0.42 2.22 1.01 -0.32 -4.80 121.20 125.18 1ijg s ILE 121 Ca 0.06 -1.01 -0.15 0.00 0.00 0.00 0.00 60.65 59.55 1ijg s ILE 121 Cb -0.12 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 1ijg s ILE 121 CO -0.00 -0.46 0.86 -0.31 0.00 0.00 0.00 174.94 175.03 1ijg s TYR 122 N 1.60 3.41 -0.51 3.97 1.51 -1.26 -1.96 117.35 124.10 1ijg s TYR 122 Ca 0.04 1.32 0.24 0.00 -1.01 0.00 0.00 57.07 57.65 1ijg s TYR 122 Cb -0.22 -2.65 0.45 0.00 -0.11 0.00 0.00 41.96 39.44 1ijg s TYR 122 CO 0.07 -0.13 1.65 -0.97 -1.11 0.00 0.00 175.55 175.05 1ijg h ASN 123 N 1.54 0.00 -4.81 2.29 -1.24 -0.64 -3.35 115.58 109.37 1ijg h ASN 123 Ca -0.48 -0.00 0.28 0.00 0.71 0.00 0.00 56.30 56.81 1ijg h ASN 123 Cb 1.18 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 40.07 1ijg h ASN 123 CO 0.63 0.00 0.81 0.54 -1.29 0.00 0.00 177.43 178.12 1ijg s ASN 124 N -5.81 -0.11 0.00 1.15 2.20 -1.26 -4.29 114.94 106.82 1ijg s ASN 124 Ca 0.08 -0.05 0.00 0.00 -0.94 0.00 0.00 52.86 51.94 1ijg s ASN 124 Cb 0.07 0.15 0.00 0.00 -2.00 0.00 0.00 41.25 39.47 1ijg s ASN 124 CO 0.65 -0.27 0.58 0.47 -2.94 0.00 0.00 177.10 175.60 1ijg n ASP 125 N -0.24 0.00 -0.06 3.54 8.00 -1.26 -0.33 116.55 126.20 1ijg n ASP 125 Ca -0.03 0.16 0.01 0.00 0.71 0.00 0.00 54.79 55.64 1ijg n ASP 125 Cb 0.60 -0.16 0.01 0.00 -0.02 0.00 0.00 41.12 41.55 1ijg n ASP 125 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1ijg n MET 126 N -1.08 -0.75 -2.43 -1.24 1.56 -1.26 -5.01 117.12 106.91 1ijg n MET 126 Ca 0.00 -0.60 -0.20 0.00 -0.27 0.00 0.00 57.70 56.64 1ijg n MET 126 Cb 0.06 -1.03 -0.01 0.00 2.15 0.00 0.00 33.22 34.39 1ijg n MET 126 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ijg n ALA 127 N 0.07 -0.66 -2.37 -5.12 0.00 0.55 -4.98 120.51 108.01 1ijg n ALA 127 Ca 0.01 0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 1ijg n ALA 127 Cb 0.04 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 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 3.77 0.47 0.00 0.08 -1.26 -4.46 117.98 113.61 1ijg s PHE 128 Ca 0.01 1.74 -0.21 0.00 0.12 0.00 0.00 56.93 58.59 1ijg s PHE 128 Cb -0.00 -3.04 -0.09 0.00 -0.57 0.00 0.00 43.02 39.32 1ijg s PHE 128 CO 0.01 0.17 1.02 -2.14 -0.10 0.00 0.00 175.22 174.19 1ijg s PRO 129 N 0.19 3.91 0.06 0.24 0.02 -1.26 -4.52 135.00 133.65 1ijg s PRO 129 Ca 0.47 1.32 -0.15 0.00 0.02 0.00 0.00 61.00 62.66 1ijg s PRO 129 Cb -0.23 -2.14 -0.25 0.00 0.02 0.00 0.00 34.50 31.90 1ijg s PRO 129 CO 0.29 -0.33 1.16 1.15 -0.33 0.00 0.00 177.00 178.93 1ijg h THR 130 N 1.68 1.28 -0.93 0.99 2.02 -0.18 -3.37 112.91 114.39 1ijg h THR 130 Ca -0.49 -2.31 0.27 0.00 0.77 0.00 0.00 66.41 64.65 1ijg h THR 130 Cb 1.21 2.50 -0.16 0.00 -1.74 0.00 0.00 68.15 69.95 1ijg h THR 130 CO 0.60 0.71 0.17 0.71 0.37 0.00 0.00 175.52 178.08 1ijg h THR 131 N 0.33 0.15 -0.90 3.16 1.35 -1.86 -0.65 112.91 114.49 1ijg h THR 131 Ca -0.15 -0.03 0.08 0.00 -0.55 0.00 0.00 66.41 65.76 1ijg h THR 131 Cb 1.76 0.05 -0.06 0.00 -1.73 0.00 0.00 68.15 68.17 1ijg h THR 131 CO 0.21 0.02 0.59 1.55 -0.25 0.00 0.00 175.52 177.64 1ijg h PRO 132 N 0.09 0.95 -0.23 4.72 0.13 -1.91 -0.65 132.00 135.10 1ijg h PRO 132 Ca 0.60 -0.06 -0.19 0.00 -0.87 0.00 0.00 66.00 65.48 1ijg h PRO 132 Cb 1.28 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ijg h PRO 132 CO -0.78 0.63 -0.61 1.15 -0.23 0.00 0.00 178.00 178.15 1ijg h THR 133 N 0.98 1.29 -0.88 1.56 2.02 -1.38 -2.54 112.91 113.95 1ijg h THR 133 Ca 0.40 -1.82 0.02 0.00 0.77 0.00 0.00 66.41 65.79 1ijg h THR 133 Cb 0.28 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.40 1ijg h THR 133 CO -0.16 0.58 0.58 -0.07 0.37 0.00 0.00 175.52 176.82 1ijg h LEU 134 N 0.58 0.98 -0.84 2.58 3.38 -1.05 -1.30 115.31 119.64 1ijg h LEU 134 Ca -0.00 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1ijg h LEU 134 Cb 1.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1ijg h LEU 134 CO 0.13 0.69 -0.45 -0.33 0.09 0.00 0.00 178.44 178.57 1ijg h GLU 135 N 1.15 0.30 0.05 1.13 5.08 -1.05 -0.66 114.58 120.58 1ijg h GLU 135 Ca 0.34 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1ijg h GLU 135 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1ijg h GLU 135 CO -0.09 0.69 -0.03 1.25 -1.00 0.00 0.00 179.01 179.84 1ijg h LEU 136 N 0.24 -0.06 -0.61 1.33 5.85 -0.84 -2.05 115.31 119.18 1ijg h LEU 136 Ca 0.02 -0.17 -0.15 0.00 0.84 0.00 0.00 57.88 58.42 1ijg h LEU 136 Cb 0.89 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1ijg h LEU 136 CO 0.07 0.13 -0.49 -0.26 -0.34 0.00 0.00 178.44 177.56 1ijg h PHE 137 N -0.25 0.63 -0.90 1.25 -1.00 -1.29 -2.89 116.94 112.49 1ijg h PHE 137 Ca -0.01 -0.21 -0.02 0.00 2.81 0.00 0.00 57.97 60.55 1ijg h PHE 137 Cb 0.22 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 39.62 1ijg h PHE 137 CO -0.01 0.90 0.50 0.00 -1.61 0.00 0.00 178.31 178.09 1ijg h ALA 138 N 1.06 1.19 -0.67 2.45 0.00 -1.07 -0.65 119.26 121.57 1ijg h ALA 138 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1ijg h ALA 138 Cb 1.00 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1ijg h ALA 138 CO 0.09 0.66 0.29 0.00 0.00 0.00 0.00 179.25 180.29 1ijg h ALA 139 N 1.30 0.87 -0.22 0.00 0.00 -1.27 -1.23 119.26 118.71 1ijg h ALA 139 Ca 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ijg h ALA 139 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ijg h ALA 139 CO -0.05 0.47 0.09 1.49 0.00 0.00 0.00 179.25 181.25 1ijg h GLU 140 N 0.94 0.34 -0.94 0.00 4.57 -1.18 -0.08 114.58 118.23 1ijg h GLU 140 Ca 0.23 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1ijg h GLU 140 Cb 0.18 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 1ijg h GLU 140 CO -0.02 0.39 0.62 -0.07 -1.18 0.00 0.00 179.01 178.74 1ijg h LEU 141 N 0.21 1.08 -0.69 1.64 3.38 -0.97 -1.00 115.31 118.97 1ijg h LEU 141 Ca 0.07 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1ijg h LEU 141 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ijg h LEU 141 CO -0.01 0.79 -0.25 0.00 0.09 0.00 0.00 178.44 179.07 1ijg h ALA 142 N 1.34 0.87 -0.43 1.53 0.00 -0.92 -1.13 119.26 120.52 1ijg h ALA 142 Ca 0.34 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1ijg h ALA 142 Cb -0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1ijg h ALA 142 CO -0.07 0.63 0.06 1.49 0.00 0.00 0.00 179.25 181.36 1ijg h GLU 143 N 0.65 0.71 -0.73 0.00 4.81 -0.45 -1.59 114.58 117.97 1ijg h GLU 143 Ca 0.09 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1ijg h GLU 143 Cb 0.75 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1ijg h GLU 143 CO 0.06 0.75 0.27 -0.07 -0.73 0.00 0.00 179.01 179.29 1ijg h LEU 144 N 0.57 1.03 -1.07 1.64 3.38 -1.05 -1.38 115.31 118.42 1ijg h LEU 144 Ca 0.13 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ijg h LEU 144 Cb 0.39 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1ijg h LEU 144 CO 0.01 0.94 0.63 0.50 0.09 0.00 0.00 178.44 180.61 1ijg h LYS 145 N 1.06 1.20 -0.23 1.13 3.11 -0.92 -0.48 116.57 121.44 1ijg h LYS 145 Ca 0.24 -0.07 -0.05 0.00 -2.81 0.00 0.00 60.65 57.95 1ijg h LYS 145 Cb 0.24 -0.27 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1ijg h LYS 145 CO -0.02 0.80 -0.07 1.49 -2.81 0.00 0.00 179.45 178.84 1ijg h GLU 146 N 1.24 0.45 -0.87 1.90 4.81 -0.77 -1.22 114.58 120.12 1ijg h GLU 146 Ca 0.37 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1ijg h GLU 146 Cb -0.06 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1ijg h GLU 146 CO -0.10 0.70 0.54 0.82 -0.73 0.00 0.00 179.01 180.24 1ijg h ILE 147 N 0.18 1.24 -0.83 2.32 2.04 -0.80 -1.05 117.51 120.61 1ijg h ILE 147 Ca 0.06 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1ijg h ILE 147 Cb 0.54 -0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1ijg h ILE 147 CO 0.03 0.24 0.51 0.40 0.00 0.00 0.00 178.15 179.33 1ijg h ILE 148 N 1.19 1.23 -0.16 -0.67 2.04 -0.94 -0.92 117.51 119.28 1ijg h ILE 148 Ca 0.31 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1ijg h ILE 148 Cb -0.07 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 1ijg h ILE 148 CO -0.06 0.23 0.08 0.28 0.00 0.00 0.00 178.15 178.68 1ijg h SER 149 N 1.13 0.11 -0.63 1.72 0.02 -0.15 0.11 113.55 115.86 1ijg h SER 149 Ca 0.30 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.27 1ijg h SER 149 Cb -0.07 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1ijg h SER 149 CO -0.06 0.09 0.40 0.58 -1.14 0.00 0.00 176.83 176.71 1ijg h VAL 150 N 0.17 1.11 -0.27 2.27 2.07 -0.79 -1.79 116.25 119.02 1ijg h VAL 150 Ca 0.06 -0.28 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 1ijg h VAL 150 Cb 0.01 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1ijg h VAL 150 CO -0.04 0.15 -0.35 -1.13 0.02 0.00 0.00 177.57 176.21 1ijg h ASN 151 N 0.81 0.78 -0.72 0.57 -0.00 -0.86 -1.61 115.58 114.55 1ijg h ASN 151 Ca 0.25 -0.50 -0.06 0.00 -0.00 0.00 0.00 56.30 55.99 1ijg h ASN 151 Cb -0.03 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 38.04 1ijg h ASN 151 CO -0.08 1.12 0.23 0.06 -0.00 0.00 0.00 177.43 178.75 1ijg h GLN 152 N 0.45 1.13 -0.15 6.67 3.07 -0.68 -2.59 115.11 123.01 1ijg h GLN 152 Ca 0.03 -0.24 -0.10 0.00 0.09 0.00 0.00 58.65 58.43 1ijg h GLN 152 Cb 0.93 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 28.32 1ijg h GLN 152 CO 0.08 0.96 -0.36 -0.91 0.09 0.00 0.00 178.83 178.70 1ijg h ASN 153 N 1.09 0.32 -0.00 0.06 2.35 -1.28 -2.56 115.58 115.56 1ijg h ASN 153 Ca 0.24 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1ijg h ASN 153 Cb 0.31 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1ijg h ASN 153 CO -0.01 0.66 0.03 0.00 -1.65 0.00 0.00 177.43 176.46 1ijg h ALA 154 N 1.36 1.08 0.00 -0.83 0.00 -0.88 -0.85 119.26 119.15 1ijg h ALA 154 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ijg h ALA 154 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ijg h ALA 154 CO 0.06 -0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.32 1ijg n GLN 155 N -3.14 0.03 0.09 0.00 1.13 -0.96 -2.51 117.38 112.02 1ijg n GLN 155 Ca -0.03 0.30 0.13 0.00 -1.94 0.00 0.00 57.00 55.46 1ijg n GLN 155 Cb 0.10 -1.57 0.40 0.00 0.11 0.00 0.00 30.24 29.28 1ijg n GLN 155 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ijg n LYS 156 N -1.63 0.24 -3.17 -1.09 5.02 -0.32 -4.42 118.16 112.78 1ijg n LYS 156 Ca 0.03 0.18 -0.23 0.00 -2.02 0.00 0.00 58.31 56.27 1ijg n LYS 156 Cb 0.17 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.37 1ijg n LYS 156 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ijg n THR 157 N -2.17 0.91 0.21 -0.18 -2.24 -1.04 -4.90 114.28 104.88 1ijg n THR 157 Ca 0.05 -4.80 0.11 0.00 -2.27 0.00 0.00 64.05 57.15 1ijg n THR 157 Cb 0.42 -1.26 0.16 0.00 -2.10 0.00 0.00 70.33 67.55 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 3.44 0.00 -6.08 -0.78 0.13 -1.77 -3.40 132.00 123.53 1ijg h PRO 158 Ca 0.12 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.62 1ijg h PRO 158 Cb 0.78 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.61 1ijg h PRO 158 CO 0.62 0.03 -0.86 0.08 -0.23 0.00 0.00 178.00 177.65 1ijg s VAL 159 N -3.19 1.71 -0.09 1.56 1.01 -1.26 -0.53 120.40 119.60 1ijg s VAL 159 Ca 0.07 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 1ijg s VAL 159 Cb 0.05 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 35.03 1ijg s VAL 159 CO 0.67 0.48 -0.06 -0.22 0.00 0.00 0.00 175.10 175.98 1ijg s LEU 160 N -0.46 1.07 -0.18 3.92 1.98 -0.60 -4.90 118.68 119.51 1ijg s LEU 160 Ca 0.07 -0.23 -0.02 0.00 -2.89 0.00 0.00 54.13 51.06 1ijg s LEU 160 Cb -0.09 -0.70 -0.01 0.00 0.66 0.00 0.00 46.19 46.05 1ijg s LEU 160 CO -0.00 -0.12 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.62 1ijg s ILE 161 N 1.62 3.27 -0.24 6.68 1.01 -1.26 -0.17 121.20 132.10 1ijg s ILE 161 Ca 0.02 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 1ijg s ILE 161 Cb -0.13 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1ijg s ILE 161 CO -0.06 0.47 0.31 -0.60 0.00 0.00 0.00 174.94 175.07 1ijg s ARG 162 N 0.92 4.08 -0.27 2.79 3.52 -0.06 -4.97 118.95 124.96 1ijg s ARG 162 Ca -0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 55.73 55.56 1ijg s ARG 162 Cb -0.15 -3.59 0.08 0.00 -1.56 0.00 0.00 34.95 29.74 1ijg s ARG 162 CO 0.00 -0.10 0.03 0.00 -0.81 0.00 0.00 175.30 174.43 1ijg s ALA 163 N 1.52 1.74 -0.08 6.12 0.00 -1.26 -2.15 121.76 127.65 1ijg s ALA 163 Ca 0.14 -1.51 -0.13 0.00 0.00 0.00 0.00 51.96 50.46 1ijg s ALA 163 Cb -0.15 -1.53 -0.29 0.00 0.00 0.00 0.00 23.12 21.16 1ijg s ALA 163 CO 0.08 -1.44 0.59 -2.95 0.00 0.00 0.00 175.76 172.04 1ijg h ASN 164 N 8.02 0.49 -2.83 0.00 7.08 -1.75 -3.41 115.58 123.18 1ijg h ASN 164 Ca -0.14 -0.90 -0.55 0.00 -3.08 0.00 0.00 56.30 51.63 1ijg h ASN 164 Cb 1.05 -0.16 -0.08 0.00 -2.08 0.00 0.00 38.32 37.05 1ijg h ASN 164 CO 0.44 1.72 1.00 -1.81 -2.08 0.00 0.00 177.43 176.69 1ijg s ASP 165 N -7.16 6.32 0.00 6.14 1.01 -1.26 -4.55 116.67 117.17 1ijg s ASP 165 Ca -0.18 -0.16 0.00 0.00 0.71 0.00 0.00 52.55 52.91 1ijg s ASP 165 Cb 0.05 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.43 1ijg s ASP 165 CO 0.81 -1.63 0.00 -3.20 0.21 0.00 0.00 175.17 171.36 1ijg n ASN 166 N 8.81 1.07 -0.33 0.27 2.85 -1.26 -4.75 115.26 121.91 1ijg n ASN 166 Ca 0.06 -0.06 0.15 0.00 -0.11 0.00 0.00 54.58 54.62 1ijg n ASN 166 Cb 0.49 0.32 0.37 0.00 1.24 0.00 0.00 39.78 42.21 1ijg n ASN 166 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1ijg h ASN 167 N 0.00 0.69 0.00 1.20 -1.24 -1.97 -3.31 115.58 110.95 1ijg h ASN 167 Ca 0.00 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1ijg h ASN 167 Cb 0.00 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.01 1ijg h ASN 167 CO 0.00 0.25 0.00 0.00 -1.29 0.00 0.00 177.43 176.39 1ijg n GLN 168 N -4.70 0.00 -3.95 6.67 1.13 -1.26 -4.95 117.38 110.32 1ijg n GLN 168 Ca 0.23 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.93 1ijg n GLN 168 Cb 0.62 -0.17 -0.06 0.00 0.11 0.00 0.00 30.24 30.73 1ijg n GLN 168 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1ijg s LEU 169 N -0.33 4.26 -0.27 1.08 0.20 -1.24 -5.08 118.68 117.29 1ijg s LEU 169 Ca 0.00 0.37 -0.16 0.00 0.69 0.00 0.00 54.13 55.03 1ijg s LEU 169 Cb 0.00 -2.25 -0.03 0.00 -0.43 0.00 0.00 46.19 43.48 1ijg s LEU 169 CO 0.00 0.34 0.43 -0.55 -0.29 0.00 0.00 176.35 176.29 1ijg s SER 170 N -1.39 6.32 0.20 3.68 0.15 -1.26 -4.37 113.70 117.03 1ijg s SER 170 Ca 0.20 0.33 -0.10 0.00 0.70 0.00 0.00 55.95 57.08 1ijg s SER 170 Cb -0.12 -2.24 0.14 0.00 -1.71 0.00 0.00 66.02 62.09 1ijg s SER 170 CO 0.10 -0.25 1.83 0.25 1.20 0.00 0.00 173.24 176.37 1ijg h LEU 171 N 8.71 0.90 -1.20 3.45 7.12 -1.91 -1.63 115.31 130.74 1ijg h LEU 171 Ca -0.30 -0.08 -0.00 0.00 0.13 0.00 0.00 57.88 57.63 1ijg h LEU 171 Cb 1.15 -0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 41.02 1ijg h LEU 171 CO 0.68 0.72 0.46 0.11 -0.13 0.00 0.00 178.44 180.28 1ijg h LYS 172 N 1.00 1.00 -0.38 1.25 1.57 -2.00 -1.90 116.57 117.12 1ijg h LYS 172 Ca 0.26 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 1ijg h LYS 172 Cb 0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1ijg h LYS 172 CO -0.05 0.69 -0.29 1.96 -0.57 0.00 0.00 179.45 181.20 1ijg h GLN 173 N 1.03 0.81 -0.86 3.15 1.08 -1.81 -1.31 115.11 117.19 1ijg h GLN 173 Ca 0.27 -0.37 0.07 0.00 -1.45 0.00 0.00 58.65 57.18 1ijg h GLN 173 Cb -0.06 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.29 1ijg h GLN 173 CO -0.05 1.00 0.52 0.28 -0.95 0.00 0.00 178.83 179.62 1ijg h VAL 174 N 0.69 1.00 -0.28 -0.54 2.07 -0.55 0.59 116.25 119.22 1ijg h VAL 174 Ca 0.08 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1ijg h VAL 174 Cb 0.83 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1ijg h VAL 174 CO 0.07 0.17 -0.16 1.88 0.02 0.00 0.00 177.57 179.55 1ijg h TYR 175 N 0.92 0.70 -0.95 1.57 -1.99 -1.16 -0.84 116.97 115.22 1ijg h TYR 175 Ca 0.39 -0.18 0.05 0.00 2.00 0.00 0.00 58.73 60.98 1ijg h TYR 175 Cb 0.24 -0.16 -0.06 0.00 2.00 0.00 0.00 36.73 38.76 1ijg h TYR 175 CO -0.04 0.86 0.62 -0.91 -0.00 0.00 0.00 178.16 178.69 1ijg h ASN 176 N 0.34 1.00 0.76 3.88 2.35 -0.53 -1.54 115.58 121.85 1ijg h ASN 176 Ca 0.06 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1ijg h ASN 176 Cb 0.69 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1ijg h ASN 176 CO 0.05 0.67 -0.24 0.00 -1.65 0.00 0.00 177.43 176.25 1ijg n GLN 177 N -4.46 0.01 -1.66 0.81 6.02 0.13 -4.94 117.38 113.29 1ijg n GLN 177 Ca 0.13 0.00 -0.58 0.00 -0.01 0.00 0.00 57.00 56.54 1ijg n GLN 177 Cb 0.14 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.82 1ijg n GLN 177 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1ijg n TYR 178 N -1.51 1.67 0.87 1.08 9.36 -0.33 -4.88 117.16 123.42 1ijg n TYR 178 Ca 0.06 0.75 0.11 0.00 3.32 0.00 0.00 57.90 62.15 1ijg n TYR 178 Cb 0.34 -2.33 0.07 0.00 -0.63 0.00 0.00 39.34 36.79 1ijg n TYR 178 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1ijg n GLU 179 N 3.88 0.09 -1.57 2.98 1.02 -1.26 -4.98 120.64 120.79 1ijg n GLU 179 Ca 0.25 -0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1ijg n GLU 179 Cb 0.10 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 29.95 1ijg n GLU 179 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ijg n GLY 180 N 1.46 0.96 0.77 0.62 0.00 -1.26 -4.88 105.19 102.86 1ijg n GLY 180 Ca 0.04 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.69 1ijg n GLY 180 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ijg n ASN 181 N -0.06 3.00 -3.64 1.61 2.04 -1.26 -5.01 115.26 111.94 1ijg n ASN 181 Ca -0.13 -1.92 -0.01 0.00 -0.44 0.00 0.00 54.58 52.08 1ijg n ASN 181 Cb 0.45 -0.24 -0.01 0.00 -2.53 0.00 0.00 39.78 37.45 1ijg n ASN 181 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ijg s ALA 182 N -1.03 -2.08 0.59 -2.53 0.00 -1.26 -5.15 121.76 110.30 1ijg s ALA 182 Ca 0.27 0.70 -0.19 0.00 0.00 0.00 0.00 51.96 52.75 1ijg s ALA 182 Cb 0.15 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 1ijg s ALA 182 CO 0.20 -0.98 0.93 -2.30 0.00 0.00 0.00 175.76 173.61 1ijg n PRO 183 N -0.43 0.88 -1.92 0.00 -0.02 -1.26 -4.84 135.00 127.41 1ijg n PRO 183 Ca -0.07 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 1ijg n PRO 183 Cb 0.62 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.52 2.60 -0.13 -1.45 1.01 -1.26 -4.98 120.40 114.68 1ijg s VAL 184 Ca 0.75 0.41 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1ijg s VAL 184 Cb -0.42 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1ijg s VAL 184 CO 0.48 0.03 -0.22 -0.63 0.00 0.00 0.00 175.10 174.76 1ijg s ILE 185 N 1.26 2.00 -0.52 2.22 1.01 -1.26 -5.06 121.20 120.84 1ijg s ILE 185 Ca 0.71 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1ijg s ILE 185 Cb -0.44 -1.76 0.14 0.00 0.01 0.00 0.00 42.46 40.41 1ijg s ILE 185 CO 0.31 0.54 0.32 0.12 0.00 0.00 0.00 174.94 176.23 1ijg s PHE 186 N 0.70 3.47 -0.07 3.97 5.36 -1.26 -5.02 117.98 125.13 1ijg s PHE 186 Ca -0.10 -2.67 0.05 0.00 -0.96 0.00 0.00 56.93 53.26 1ijg s PHE 186 Cb -0.16 -3.16 -0.01 0.00 -0.34 0.00 0.00 43.02 39.35 1ijg s PHE 186 CO 0.01 -0.89 -0.25 0.00 -1.46 0.00 0.00 175.22 172.64 1ijg s ALA 187 N 0.40 2.16 -0.29 11.12 0.00 -1.26 -5.10 121.76 128.80 1ijg s ALA 187 Ca 0.13 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 50.85 1ijg s ALA 187 Cb -0.22 -0.72 0.14 0.00 0.00 0.00 0.00 23.12 22.32 1ijg s ALA 187 CO -0.04 0.38 1.05 -1.58 0.00 0.00 0.00 175.76 175.57 1ijg s HIS 188 N 0.00 -0.47 0.56 0.00 5.04 -1.26 -5.01 115.29 114.15 1ijg s HIS 188 Ca -0.09 1.06 0.40 0.00 -1.54 0.00 0.00 55.06 54.89 1ijg s HIS 188 Cb -0.15 0.36 2.15 0.00 0.04 0.00 0.00 32.58 34.98 1ijg s HIS 188 CO 0.05 -0.23 2.21 1.05 -2.34 0.00 0.00 174.74 175.49 1ijg h GLU 189 N 4.75 0.00 -0.58 2.88 4.11 -2.04 -2.56 114.58 121.13 1ijg h GLU 189 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1ijg h GLU 189 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ijg h GLU 189 CO 0.14 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.22 1ijg n ALA 190 N -2.01 2.41 -2.60 1.06 0.00 -1.26 -4.92 120.51 113.19 1ijg n ALA 190 Ca -0.03 -1.03 -0.43 0.00 0.00 0.00 0.00 53.44 51.95 1ijg n ALA 190 Cb 0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.03 3.75 0.00 0.00 1.43 -0.97 -5.03 118.68 116.83 1ijg s LEU 191 Ca 0.40 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1ijg s LEU 191 Cb 0.21 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.88 1ijg s LEU 191 CO 0.27 -1.12 0.00 0.47 0.23 0.00 0.00 176.35 176.20 1ijg n ASP 192 N 7.52 -0.66 0.04 2.29 8.00 -1.26 -4.92 116.55 127.56 1ijg n ASP 192 Ca 0.12 -0.28 0.12 0.00 0.71 0.00 0.00 54.79 55.45 1ijg n ASP 192 Cb 0.48 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.66 1ijg n ASP 192 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ijg n SER 193 N -1.84 0.64 -0.57 -2.24 7.64 -1.26 -3.66 113.62 112.33 1ijg n SER 193 Ca 0.00 -0.11 0.12 0.00 1.01 0.00 0.00 58.87 59.89 1ijg n SER 193 Cb 0.00 0.56 0.15 0.00 -1.01 0.00 0.00 64.21 63.91 1ijg n SER 193 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ijg n ASP 194 N -1.98 2.03 -0.16 6.43 5.75 -1.26 -4.47 116.55 122.89 1ijg n ASP 194 Ca 0.03 -1.52 -0.03 0.00 -0.01 0.00 0.00 54.79 53.26 1ijg n ASP 194 Cb 0.43 0.24 0.05 0.00 -1.03 0.00 0.00 41.12 40.80 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 2.78 -0.38 -4.36 -1.12 0.02 -1.91 -3.43 113.55 105.15 1ijg h SER 195 Ca 0.00 0.14 -0.67 0.00 -0.84 0.00 0.00 61.79 60.42 1ijg h SER 195 Cb 0.74 0.28 -0.27 0.00 0.14 0.00 0.00 62.40 63.29 1ijg h SER 195 CO 0.00 -0.14 -0.87 -0.63 -1.14 0.00 0.00 176.83 174.05 1ijg s ILE 196 N -6.20 2.02 -0.15 3.27 -1.09 -1.26 -2.46 121.20 115.32 1ijg s ILE 196 Ca -0.14 -1.28 -0.07 0.00 -2.23 0.00 0.00 60.65 56.93 1ijg s ILE 196 Cb 0.16 -1.72 0.06 0.00 -1.58 0.00 0.00 42.46 39.39 1ijg s ILE 196 CO 0.72 0.38 0.34 -0.70 -1.23 0.00 0.00 174.94 174.46 1ijg s GLU 197 N -1.07 0.28 -0.14 2.79 2.12 -0.91 -5.00 118.70 116.77 1ijg s GLU 197 Ca 0.11 0.77 -0.06 0.00 0.36 0.00 0.00 54.97 56.15 1ijg s GLU 197 Cb -0.10 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.28 1ijg s GLU 197 CO 0.01 -0.20 0.06 0.08 -0.54 0.00 0.00 175.26 174.67 1ijg s VAL 198 N 1.83 4.82 0.02 3.70 1.01 -1.26 -0.88 120.40 129.64 1ijg s VAL 198 Ca -0.06 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 61.97 1ijg s VAL 198 Cb -0.10 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1ijg s VAL 198 CO -0.11 0.54 -0.25 -0.36 0.00 0.00 0.00 175.10 174.91 1ijg s PHE 199 N -0.29 2.24 -0.32 5.22 0.40 0.76 -5.00 117.98 120.99 1ijg s PHE 199 Ca 0.08 -0.41 -0.15 0.00 -0.60 0.00 0.00 56.93 55.85 1ijg s PHE 199 Cb -0.12 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.01 1ijg s PHE 199 CO 0.02 0.06 0.36 0.15 0.70 0.00 0.00 175.22 176.51 1ijg s LYS 200 N -1.00 3.73 -0.27 0.44 3.01 -1.26 -1.56 119.74 122.83 1ijg s LYS 200 Ca 0.11 -0.25 0.09 0.00 -1.01 0.00 0.00 55.97 54.90 1ijg s LYS 200 Cb -0.10 -3.75 0.45 0.00 -1.01 0.00 0.00 37.83 33.42 1ijg s LYS 200 CO 0.01 -0.43 1.25 0.25 0.51 0.00 0.00 175.35 176.94 1ijg n THR 201 N 5.20 2.43 -2.53 2.17 -2.24 0.31 -4.98 114.28 114.64 1ijg n THR 201 Ca -0.09 -3.66 -0.40 0.00 -2.27 0.00 0.00 64.05 57.62 1ijg n THR 201 Cb 0.50 -0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 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 -3.32 7.34 -0.25 3.42 -4.77 -1.17 -4.50 116.67 113.43 1ijg s ASP 202 Ca 0.45 2.18 -0.10 0.00 -3.30 0.00 0.00 52.55 51.79 1ijg s ASP 202 Cb 0.40 -2.62 -0.04 0.00 -1.09 0.00 0.00 42.92 39.56 1ijg s ASP 202 CO -0.01 -0.10 0.14 0.00 0.70 0.00 0.00 175.17 175.90 1ijg s ALA 203 N -1.02 3.46 0.05 2.11 0.00 -1.26 -5.04 121.76 120.05 1ijg s ALA 203 Ca 0.45 -0.98 -0.38 0.00 0.00 0.00 0.00 51.96 51.04 1ijg s ALA 203 Cb -0.30 -2.26 -0.18 0.00 0.00 0.00 0.00 23.12 20.37 1ijg s ALA 203 CO 0.38 -0.32 1.16 -2.30 0.00 0.00 0.00 175.76 174.69 1ijg n PRO 204 N 4.56 0.48 -2.60 0.00 -0.02 -1.26 -4.82 135.00 131.33 1ijg n PRO 204 Ca -0.15 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.07 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 0.14 3.07 -0.01 6.00 5.04 -1.26 -4.81 117.35 125.52 1ijg s TYR 205 Ca 0.87 1.13 0.01 0.00 -2.44 0.00 0.00 57.07 56.64 1ijg s TYR 205 Cb -1.12 -3.75 0.02 0.00 0.35 0.00 0.00 41.96 37.45 1ijg s TYR 205 CO 0.53 -0.93 0.81 1.33 -1.34 0.00 0.00 175.55 175.95 1ijg n VAL 206 N 5.95 0.60 -0.10 3.14 0.24 -1.26 -4.84 118.33 122.06 1ijg n VAL 206 Ca 0.12 -0.63 -0.06 0.00 -2.04 0.00 0.00 64.34 61.74 1ijg n VAL 206 Cb 0.47 0.65 0.01 0.00 -1.47 0.00 0.00 33.84 33.50 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 1.63 0.67 -0.95 3.34 2.07 -1.93 -0.56 116.25 120.52 1ijg h VAL 207 Ca 0.00 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1ijg h VAL 207 Cb 0.79 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1ijg h VAL 207 CO 0.00 0.00 0.63 -2.24 0.02 0.00 0.00 177.57 175.98 1ijg h ASP 208 N 0.02 1.07 -0.06 0.57 -0.00 -1.99 0.67 116.42 116.70 1ijg h ASP 208 Ca 0.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.03 57.17 1ijg h ASP 208 Cb 0.26 -0.26 -0.00 0.00 -0.00 0.00 0.00 39.33 39.32 1ijg h ASP 208 CO -0.34 0.76 -0.00 0.11 -0.00 0.00 0.00 179.24 179.76 1ijg h LYS 209 N 1.26 0.11 -1.01 4.15 1.79 -1.80 -1.46 116.57 119.61 1ijg h LYS 209 Ca 0.36 -0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.87 1ijg h LYS 209 Cb -0.09 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.48 1ijg h LYS 209 CO -0.09 0.41 0.65 -0.07 -1.08 0.00 0.00 179.45 179.26 1ijg h LEU 210 N -0.19 1.01 -1.17 2.94 3.38 -0.80 0.66 115.31 121.14 1ijg h LEU 210 Ca 0.02 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1ijg h LEU 210 Cb 0.36 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1ijg h LEU 210 CO 0.00 0.61 -0.07 -1.13 0.09 0.00 0.00 178.44 177.95 1ijg h ASN 211 N 1.12 0.47 -0.21 -0.43 -0.73 -0.61 0.80 115.58 115.99 1ijg h ASN 211 Ca 0.45 -0.11 -0.09 0.00 1.87 0.00 0.00 56.30 58.43 1ijg h ASN 211 Cb 0.27 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 1ijg h ASN 211 CO -0.20 0.59 -0.16 0.00 -0.37 0.00 0.00 177.43 177.29 1ijg h ALA 212 N 1.46 1.06 -0.40 1.57 0.00 0.15 -1.56 119.26 121.55 1ijg h ALA 212 Ca 0.09 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1ijg h ALA 212 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ijg h ALA 212 CO 0.02 0.57 -0.09 0.37 0.00 0.00 0.00 179.25 180.12 1ijg h GLN 213 N 0.57 0.77 -0.91 0.00 5.75 -0.16 -1.46 115.11 119.67 1ijg h GLN 213 Ca 0.09 -0.29 0.07 0.00 -0.15 0.00 0.00 58.65 58.37 1ijg h GLN 213 Cb 0.61 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.05 1ijg h GLN 213 CO 0.04 0.90 0.59 -0.22 -2.65 0.00 0.00 178.83 177.49 1ijg h LYS 214 N 0.58 0.98 -0.18 1.69 3.64 -0.47 0.11 116.57 122.93 1ijg h LYS 214 Ca 0.10 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1ijg h LYS 214 Cb 0.62 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1ijg h LYS 214 CO 0.04 0.65 -0.31 -0.91 -2.27 0.00 0.00 179.45 176.64 1ijg h ASN 215 N 1.01 0.37 -0.26 4.20 2.35 -0.87 0.02 115.58 122.41 1ijg h ASN 215 Ca 0.40 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 1ijg h ASN 215 Cb 0.24 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1ijg h ASN 215 CO -0.16 0.67 0.00 0.00 -1.65 0.00 0.00 177.43 176.30 1ijg h ALA 216 N 1.35 0.34 -0.51 -0.83 0.00 0.18 0.26 119.26 120.06 1ijg h ALA 216 Ca 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1ijg h ALA 216 Cb 0.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ijg h ALA 216 CO 0.05 0.07 0.22 0.28 0.00 0.00 0.00 179.25 179.88 1ijg h VAL 217 N 0.23 1.21 -0.82 0.00 2.07 -0.68 -0.32 116.25 117.95 1ijg h VAL 217 Ca 0.07 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1ijg h VAL 217 Cb 0.41 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1ijg h VAL 217 CO 0.01 0.24 0.54 -0.25 0.02 0.00 0.00 177.57 178.13 1ijg h TRP 218 N 0.68 1.02 -0.04 1.57 2.91 -0.80 -1.47 115.95 119.82 1ijg h TRP 218 Ca 0.17 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.12 1ijg h TRP 218 Cb 0.17 -0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 28.47 1ijg h TRP 218 CO 0.00 0.62 -0.44 -0.91 -1.03 0.00 0.00 178.44 176.68 1ijg h ASN 219 N 1.08 0.10 -0.46 2.65 2.35 -0.51 0.20 115.58 121.00 1ijg h ASN 219 Ca 0.31 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.96 1ijg h ASN 219 Cb -0.09 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1ijg h ASN 219 CO -0.08 0.54 0.09 -0.08 -1.65 0.00 0.00 177.43 176.25 1ijg h GLU 220 N 0.08 0.76 0.09 0.81 4.81 -0.30 0.17 114.58 120.99 1ijg h GLU 220 Ca 0.00 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1ijg h GLU 220 Cb 0.82 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1ijg h GLU 220 CO 0.06 0.76 -0.04 1.98 -0.73 0.00 0.00 179.01 181.04 1ijg h MET 221 N 0.63 -0.12 -0.77 1.92 4.05 -0.84 -1.43 114.93 118.36 1ijg h MET 221 Ca 0.14 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.62 1ijg h MET 221 Cb 0.36 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.13 1ijg h MET 221 CO 0.01 -0.08 0.47 0.52 0.23 0.00 0.00 176.91 178.06 1ijg h MET 222 N -0.12 0.85 -0.77 0.39 2.86 -0.74 -1.84 114.93 115.56 1ijg h MET 222 Ca -0.01 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1ijg h MET 222 Cb 0.10 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1ijg h MET 222 CO 0.02 0.56 0.32 1.15 1.06 0.00 0.00 176.91 180.02 1ijg h THR 223 N 0.88 1.25 -0.71 2.22 2.02 -0.66 0.12 112.91 118.03 1ijg h THR 223 Ca 0.33 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.76 1ijg h THR 223 Cb 0.12 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 1ijg h THR 223 CO -0.15 0.32 0.47 0.15 0.37 0.00 0.00 175.52 176.67 1ijg h PHE 224 N 1.11 0.85 -0.01 3.16 3.57 -0.44 -0.97 116.94 124.21 1ijg h PHE 224 Ca 0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1ijg h PHE 224 Cb 0.18 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.64 1ijg h PHE 224 CO 0.02 0.51 -0.03 1.28 -2.23 0.00 0.00 178.31 177.86 1ijg n LEU 225 N -4.45 0.89 -0.27 0.59 4.77 -0.85 -4.61 117.00 113.07 1ijg n LEU 225 Ca 0.08 -0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 55.76 1ijg n LEU 225 Cb 0.09 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1ijg n LEU 225 CO 0.35 0.15 -0.03 0.61 -1.33 0.00 0.00 177.39 177.14 1ijg n GLY 226 N 1.15 0.61 3.91 -0.72 0.00 -0.37 -4.57 105.19 105.19 1ijg n GLY 226 Ca 0.20 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.13 5.27 0.00 -0.61 1.01 0.35 -4.76 121.20 120.33 1ijg s ILE 227 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.41 1ijg s ILE 227 Cb 0.00 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1ijg s ILE 227 CO 0.00 0.04 0.00 1.17 0.00 0.00 0.00 174.94 176.15 1ijg n LYS 228 N 0.02 0.00 -0.06 2.79 4.81 -1.26 -4.01 118.16 120.45 1ijg n LYS 228 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1ijg n LYS 228 Cb 0.52 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 34.22 1ijg n LYS 228 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ijg n ASP 247 N 0.00 -0.34 0.15 3.14 8.00 -1.26 -5.09 116.55 121.15 1ijg n ASP 247 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1ijg n ASP 247 Cb 0.00 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 40.98 1ijg n ASP 247 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ijg h GLU 248 N 0.00 -0.47 -0.45 -1.24 4.81 -2.04 -1.64 114.58 113.54 1ijg h GLU 248 Ca 0.00 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1ijg h GLU 248 Cb 0.00 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.41 1ijg h GLU 248 CO 0.00 -0.32 -0.07 1.96 -0.73 0.00 0.00 179.01 179.86 1ijg h GLN 249 N -0.49 0.04 0.31 1.92 4.20 -2.00 0.67 115.11 119.77 1ijg h GLN 249 Ca 0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1ijg h GLN 249 Cb 0.48 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1ijg h GLN 249 CO -0.09 0.03 -0.15 0.82 -0.67 0.00 0.00 178.83 178.77 1ijg h ILE 250 N 0.04 0.71 -0.51 2.54 1.08 -1.84 -0.97 117.51 118.56 1ijg h ILE 250 Ca 0.22 -0.17 -0.05 0.00 -0.39 0.00 0.00 64.86 64.46 1ijg h ILE 250 Cb 0.33 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 1ijg h ILE 250 CO -0.42 0.04 0.11 -0.33 -0.69 0.00 0.00 178.15 176.85 1ijg h GLU 251 N -0.51 0.79 -0.40 2.37 3.07 -0.94 -2.05 114.58 116.92 1ijg h GLU 251 Ca -0.04 -0.17 -0.09 0.00 -0.50 0.00 0.00 59.36 58.56 1ijg h GLU 251 Cb 0.38 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1ijg h GLU 251 CO 0.07 0.73 -0.14 0.77 -1.40 0.00 0.00 179.01 179.04 1ijg h SER 252 N 0.76 0.72 -0.54 1.42 0.02 0.44 -0.50 113.55 115.87 1ijg h SER 252 Ca 0.17 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1ijg h SER 252 Cb 0.31 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1ijg h SER 252 CO 0.00 0.87 0.12 0.28 -1.14 0.00 0.00 176.83 176.96 1ijg h SER 253 N 0.66 0.83 -0.40 3.07 0.02 -0.78 -2.50 113.55 114.45 1ijg h SER 253 Ca 0.11 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 1ijg h SER 253 Cb 0.60 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1ijg h SER 253 CO 0.04 0.86 -0.05 1.23 -1.14 0.00 0.00 176.83 177.77 1ijg h GLY 254 N 0.77 0.80 0.48 -3.77 0.00 -1.14 -2.89 103.07 97.32 1ijg h GLY 254 Ca 0.17 -0.63 0.17 0.00 0.00 0.00 0.00 47.33 47.04 1ijg h GLY 254 CO 0.00 0.58 0.56 -0.84 0.00 0.00 0.00 176.54 176.84 1ijg h THR 255 N 0.56 0.76 -0.96 4.70 2.02 -0.89 0.30 112.91 119.39 1ijg h THR 255 Ca 0.11 -0.17 0.20 0.00 0.77 0.00 0.00 66.41 67.31 1ijg h THR 255 Cb 0.55 0.22 -0.09 0.00 -1.74 0.00 0.00 68.15 67.09 1ijg h THR 255 CO 0.03 0.09 0.61 0.58 0.37 0.00 0.00 175.52 177.20 1ijg h VAL 256 N 0.50 0.69 0.06 3.16 2.07 -1.22 0.16 116.25 121.68 1ijg h VAL 256 Ca 0.44 -0.21 -0.21 0.00 0.82 0.00 0.00 66.70 67.54 1ijg h VAL 256 Cb 0.94 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1ijg h VAL 256 CO -0.17 0.11 -1.07 -0.26 0.02 0.00 0.00 177.57 176.20 1ijg h PHE 257 N 0.60 0.25 -0.07 1.57 -1.00 -1.11 -3.39 116.94 113.78 1ijg h PHE 257 Ca 0.53 -0.18 -0.00 0.00 2.81 0.00 0.00 57.97 61.13 1ijg h PHE 257 Cb 1.04 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.58 1ijg h PHE 257 CO -0.00 1.42 0.04 1.25 -1.61 0.00 0.00 178.31 179.41 1ijg h LEU 258 N -0.62 0.09 -0.45 1.54 7.12 -0.64 -3.07 115.31 119.28 1ijg h LEU 258 Ca -0.25 -0.04 0.07 0.00 0.13 0.00 0.00 57.88 57.78 1ijg h LEU 258 Cb 1.49 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 41.54 1ijg h LEU 258 CO -0.02 0.10 0.12 0.07 -0.13 0.00 0.00 178.44 178.59 1ijg h LYS 259 N 0.06 0.26 -0.67 1.25 2.10 -0.92 0.11 116.57 118.76 1ijg h LYS 259 Ca 0.03 -0.02 0.09 0.00 -2.00 0.00 0.00 60.65 58.75 1ijg h LYS 259 Cb 0.03 -0.06 -0.07 0.00 -0.90 0.00 0.00 32.23 31.24 1ijg h LYS 259 CO -0.00 0.17 0.31 1.03 -2.00 0.00 0.00 179.45 178.96 1ijg h SER 260 N 0.27 0.39 -0.42 7.07 0.87 -1.74 0.88 113.55 120.87 1ijg h SER 260 Ca 0.22 0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.70 1ijg h SER 260 Cb 0.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1ijg h SER 260 CO -0.26 0.23 -0.28 0.03 -0.53 0.00 0.00 176.83 176.02 1ijg h ARG 261 N 0.54 0.94 -0.54 2.24 -0.00 -1.19 -2.71 114.38 113.66 1ijg h ARG 261 Ca 0.33 -0.43 -0.03 0.00 -0.50 0.00 0.00 59.98 59.34 1ijg h ARG 261 Cb 0.35 -0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.28 1ijg h ARG 261 CO -0.27 1.10 0.20 0.93 0.00 0.00 0.00 179.97 181.93 1ijg h GLU 262 N 0.80 0.82 0.02 0.04 5.08 0.18 0.78 114.58 122.29 1ijg h GLU 262 Ca 0.09 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1ijg h GLU 262 Cb 0.86 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1ijg h GLU 262 CO 0.08 0.72 -0.25 1.49 -1.00 0.00 0.00 179.01 180.05 1ijg h GLU 263 N 0.74 -0.38 -0.36 2.33 4.57 -0.82 -1.15 114.58 119.50 1ijg h GLU 263 Ca 0.18 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1ijg h GLU 263 Cb 0.22 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1ijg h GLU 263 CO -0.01 -0.26 0.04 0.00 -1.18 0.00 0.00 179.01 177.60 1ijg h ALA 264 N 0.42 1.40 -0.20 2.92 0.00 -1.34 -1.95 119.26 120.52 1ijg h ALA 264 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ijg h ALA 264 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ijg h ALA 264 CO -0.20 0.43 0.05 0.00 0.00 0.00 0.00 179.25 179.52 1ijg h GLU 266 N 0.28 0.66 -0.44 0.00 5.08 -0.46 -2.53 114.58 117.16 1ijg h GLU 266 Ca 0.07 -0.56 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1ijg h GLU 266 Cb 0.11 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1ijg h GLU 266 CO -0.00 1.17 0.17 0.87 -1.00 0.00 0.00 179.01 180.22 1ijg h LYS 267 N 0.44 0.67 -0.45 2.33 1.57 -1.08 -1.25 116.57 118.79 1ijg h LYS 267 Ca -0.06 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1ijg h LYS 267 Cb 1.42 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 1ijg h LYS 267 CO 0.16 0.62 0.29 0.82 -0.57 0.00 0.00 179.45 180.77 1ijg h ILE 268 N 0.57 1.09 -0.12 1.86 2.04 -1.13 0.10 117.51 121.92 1ijg h ILE 268 Ca 0.15 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 1ijg h ILE 268 Cb 0.21 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1ijg h ILE 268 CO -0.01 0.11 -0.27 0.78 0.00 0.00 0.00 178.15 178.76 1ijg h ASN 269 N 0.59 0.22 0.07 1.72 2.35 -1.26 -1.81 115.58 117.46 1ijg h ASN 269 Ca 0.17 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1ijg h ASN 269 Cb -0.04 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1ijg h ASN 269 CO -0.05 0.49 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.10 1ijg h GLU 270 N 0.20 -0.09 -0.72 0.81 4.57 -0.83 0.79 114.58 119.32 1ijg h GLU 270 Ca 0.03 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 1ijg h GLU 270 Cb 0.59 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.14 1ijg h GLU 270 CO 0.04 0.38 0.40 1.25 -1.18 0.00 0.00 179.01 179.90 1ijg h LEU 271 N -0.95 0.59 -1.96 1.64 6.46 -0.84 -3.04 115.31 117.21 1ijg h LEU 271 Ca -0.01 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1ijg h LEU 271 Cb 0.51 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1ijg h LEU 271 CO 0.02 0.37 0.00 -1.22 -0.62 0.00 0.00 178.44 176.99 1ijg n TYR 272 N -4.77 0.19 -3.65 1.25 4.01 -0.68 -4.99 117.16 108.52 1ijg n TYR 272 Ca 0.10 -0.16 -0.25 0.00 -0.16 0.00 0.00 57.90 57.43 1ijg n TYR 272 Cb 0.20 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.29 1ijg n TYR 272 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ijg n GLY 273 N 0.80 -0.54 0.50 2.72 0.00 0.20 -5.00 105.19 103.87 1ijg n GLY 273 Ca 0.10 0.25 -0.03 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.95 0.00 -2.79 0.99 4.77 -0.74 -5.00 117.00 109.27 1ijg n LEU 274 Ca 0.01 -0.31 -0.02 0.00 -0.03 0.00 0.00 56.01 55.66 1ijg n LEU 274 Cb 0.56 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.63 1ijg n LEU 274 CO 0.67 -0.53 -0.02 -3.20 -1.33 0.00 0.00 177.39 172.97 1ijg n ASN 275 N -2.93 1.46 -4.81 -1.43 5.15 -1.26 -4.64 115.26 106.81 1ijg n ASN 275 Ca 0.02 -2.20 -0.34 0.00 -0.60 0.00 0.00 54.58 51.46 1ijg n ASN 275 Cb 0.08 -0.46 -0.06 0.00 -0.53 0.00 0.00 39.78 38.81 1ijg n ASN 275 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1ijg s VAL 276 N -3.54 4.20 0.02 3.44 -7.23 -1.26 -4.66 120.40 111.38 1ijg s VAL 276 Ca 0.27 1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 61.90 1ijg s VAL 276 Cb 0.36 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.62 1ijg s VAL 276 CO -0.02 -0.20 -0.00 -1.59 -0.31 0.00 0.00 175.10 172.98 1ijg s LYS 277 N -2.93 0.38 0.03 4.82 -2.85 -0.35 -4.90 119.74 113.93 1ijg s LYS 277 Ca 0.60 -0.65 0.08 0.00 -1.00 0.00 0.00 55.97 55.00 1ijg s LYS 277 Cb -0.13 0.14 -0.02 0.00 -2.06 0.00 0.00 37.83 35.75 1ijg s LYS 277 CO 0.17 -0.07 -0.23 0.08 0.10 0.00 0.00 175.35 175.40 1ijg s VAL 278 N -1.76 1.84 0.21 1.79 1.01 -1.26 -0.51 120.40 121.72 1ijg s VAL 278 Ca -0.13 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 1ijg s VAL 278 Cb -0.07 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.77 1ijg s VAL 278 CO -0.02 0.33 0.62 -1.59 0.00 0.00 0.00 175.10 174.44 1ijg s LYS 279 N -1.03 1.49 0.12 2.72 -2.85 -0.87 -4.96 119.74 114.36 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 0.58 -0.09 0.00 -2.06 0.00 0.00 37.83 36.17 1ijg s LYS 279 CO 0.01 -0.66 1.50 -0.06 0.10 0.00 0.00 175.35 176.25 1ijg s PHE 280 N -3.85 3.04 0.38 1.78 0.40 -1.26 -1.01 117.98 117.46 1ijg s PHE 280 Ca 0.07 0.72 0.09 0.00 -0.60 0.00 0.00 56.93 57.20 1ijg s PHE 280 Cb -0.03 -3.83 0.84 0.00 0.51 0.00 0.00 43.02 40.51 1ijg s PHE 280 CO -0.03 -3.05 1.95 -0.09 0.70 0.00 0.00 175.22 174.70 1ijg h ARG 281 N 7.05 0.63 -5.80 0.44 2.43 -0.17 -3.38 114.38 115.58 1ijg h ARG 281 Ca -0.42 -0.04 -0.60 0.00 -0.81 0.00 0.00 59.98 58.11 1ijg h ARG 281 Cb 1.20 -0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 30.52 1ijg h ARG 281 CO 0.90 0.42 0.44 -0.47 -1.51 0.00 0.00 179.97 179.74 1ijg s TYR 282 N -5.60 3.24 -0.24 2.20 5.04 -1.26 -4.97 117.35 115.76 1ijg s TYR 282 Ca -0.09 0.95 -0.14 0.00 -2.44 0.00 0.00 57.07 55.34 1ijg s TYR 282 Cb 0.20 -3.17 0.07 0.00 0.35 0.00 0.00 41.96 39.41 1ijg s TYR 282 CO 0.77 -0.51 0.60 0.34 -1.34 0.00 0.00 175.55 175.41 1ijg s ASP 283 N 1.52 -0.80 0.25 4.32 -1.08 -1.26 -5.16 116.67 114.46 1ijg s ASP 283 Ca 0.34 1.32 -0.30 0.00 -0.52 0.00 0.00 52.55 53.39 1ijg s ASP 283 Cb -0.14 1.19 -0.09 0.00 -1.46 0.00 0.00 42.92 42.42 1ijg s ASP 283 CO 0.11 -0.22 1.09 -0.51 0.52 0.00 0.00 175.17 176.15 1ijg s ILE 284 N 1.51 3.61 0.00 4.11 1.10 -1.26 -5.21 121.20 125.06 1ijg s ILE 284 Ca -0.09 1.56 0.00 0.00 -0.51 0.00 0.00 60.65 61.61 1ijg s ILE 284 Cb -0.06 -4.00 0.00 0.00 0.15 0.00 0.00 42.46 38.55 1ijg s ILE 284 CO -0.17 0.35 0.00 0.52 -2.11 0.00 0.00 174.94 173.53