#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ipa s ALA 2 N 0.00 -0.82 -0.79 3.04 0.00 -1.26 -5.03 121.76 116.90 2ipa s ALA 2 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 51.96 51.20 2ipa s ALA 2 Cb 0.00 0.94 0.07 0.00 0.00 0.00 0.00 23.12 24.13 2ipa s ALA 2 CO 0.00 -0.96 1.16 0.42 0.00 0.00 0.00 175.76 176.39 2ipa s ILE 3 N -3.96 4.16 0.82 0.00 1.09 -1.26 -2.98 121.20 119.08 2ipa s ILE 3 Ca 0.15 -0.43 -0.12 0.00 -1.10 0.00 0.00 60.65 59.15 2ipa s ILE 3 Cb -0.04 -4.83 0.09 0.00 -1.06 0.00 0.00 42.46 36.62 2ipa s ILE 3 CO 0.07 -1.66 1.11 -0.69 -0.10 0.00 0.00 174.94 173.67 2ipa s VAL 4 N 4.43 2.78 -0.17 2.92 1.01 -0.10 -4.90 120.40 126.37 2ipa s VAL 4 Ca 0.32 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2ipa s VAL 4 Cb -0.09 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.31 2ipa s VAL 4 CO 0.05 -0.33 -0.09 -0.75 0.00 0.00 0.00 175.10 173.97 2ipa s LYS 5 N -5.21 1.88 0.80 2.72 2.20 -1.26 -0.61 119.74 120.26 2ipa s LYS 5 Ca 0.61 -0.66 -0.09 0.00 -0.36 0.00 0.00 55.97 55.47 2ipa s LYS 5 Cb -0.14 -2.19 0.12 0.00 -1.51 0.00 0.00 37.83 34.11 2ipa s LYS 5 CO 0.54 -0.38 1.13 0.00 -0.36 0.00 0.00 175.35 176.28 2ipa s ALA 6 N 1.50 2.89 0.37 3.13 0.00 0.13 -4.91 121.76 124.88 2ipa s ALA 6 Ca 0.01 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 50.74 2ipa s ALA 6 Cb -0.15 -2.60 0.04 0.00 0.00 0.00 0.00 23.12 20.41 2ipa s ALA 6 CO -0.09 -1.74 0.67 -0.08 0.00 0.00 0.00 175.76 174.52 2ipa s THR 7 N -3.48 0.00 0.54 0.00 -1.32 -1.26 -4.75 115.64 105.37 2ipa s THR 7 Ca 0.66 -1.23 0.36 0.00 -1.21 0.00 0.00 61.69 60.27 2ipa s THR 7 Cb -0.08 -2.81 0.55 0.00 -1.51 0.00 0.00 72.50 68.65 2ipa s THR 7 CO 0.48 0.00 1.81 -0.78 -2.21 0.00 0.00 174.62 173.92 2ipa h ASP 8 N 2.03 0.00 0.00 8.08 3.58 -1.90 -0.51 116.42 127.71 2ipa h ASP 8 Ca -0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2ipa h ASP 8 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2ipa h ASP 8 CO 0.40 0.00 -0.81 0.00 -2.88 0.00 0.00 179.24 175.95 2ipa n GLN 9 N -4.17 2.67 -0.37 0.28 6.02 -1.26 -4.60 117.38 115.96 2ipa n GLN 9 Ca 0.25 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.22 2ipa n GLN 9 Cb 1.22 -0.91 0.11 0.00 1.02 0.00 0.00 30.24 31.68 2ipa n GLN 9 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2ipa h SER 10 N 0.00 1.11 -2.79 1.08 0.02 -1.91 -3.24 113.55 107.84 2ipa h SER 10 Ca 0.00 -0.03 -0.55 0.00 -0.84 0.00 0.00 61.79 60.37 2ipa h SER 10 Cb 0.59 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2ipa h SER 10 CO 0.00 0.80 0.95 0.12 -1.14 0.00 0.00 176.83 177.56 2ipa s PHE 11 N -6.12 2.50 0.00 3.45 2.19 -0.22 -0.46 117.98 119.33 2ipa s PHE 11 Ca -0.13 0.59 0.00 0.00 0.33 0.00 0.00 56.93 57.72 2ipa s PHE 11 Cb 0.18 -3.74 0.00 0.00 -1.31 0.00 0.00 43.02 38.14 2ipa s PHE 11 CO 0.81 -2.91 0.00 0.43 1.83 0.00 0.00 175.22 175.39 2ipa n SER 12 N 6.26 0.00 -0.24 6.13 7.64 -1.26 -4.85 113.62 127.30 2ipa n SER 12 Ca 0.15 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.97 2ipa n SER 12 Cb 0.43 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.72 2ipa n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ipa h ALA 13 N 0.00 1.04 0.00 -0.43 0.00 -1.24 -0.81 119.26 117.83 2ipa h ALA 13 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2ipa h ALA 13 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2ipa h ALA 13 CO 0.00 0.64 -0.00 0.39 0.00 0.00 0.00 179.25 180.28 2ipa n GLU 14 N -4.26 0.17 0.00 0.00 -0.58 0.39 -4.25 120.64 112.11 2ipa n GLU 14 Ca 0.06 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 2ipa n GLU 14 Cb 0.23 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 2ipa n GLU 14 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2ipa n THR 15 N -2.00 0.00 1.96 2.62 -2.24 -0.77 -4.74 114.28 109.11 2ipa n THR 15 Ca 0.06 -0.49 0.15 0.00 -2.27 0.00 0.00 64.05 61.50 2ipa n THR 15 Cb 0.40 1.00 0.89 0.00 -2.10 0.00 0.00 70.33 70.52 2ipa n THR 15 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2ipa n SER 16 N -0.98 0.12 -4.03 3.42 7.64 -0.38 -4.34 113.62 115.06 2ipa n SER 16 Ca 0.00 -1.07 -0.11 0.00 1.01 0.00 0.00 58.87 58.71 2ipa n SER 16 Cb 0.00 -0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 2ipa n SER 16 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2ipa s GLU 17 N -2.00 0.44 3.45 1.43 2.02 -1.26 -2.31 118.70 120.47 2ipa s GLU 17 Ca 0.46 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.72 2ipa s GLU 17 Cb 0.21 -0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.37 2ipa s GLU 17 CO 0.36 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.04 2ipa n GLY 18 N 1.40 0.52 3.31 -1.39 0.00 -1.26 -4.64 105.19 103.12 2ipa n GLY 18 Ca -0.23 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 2ipa n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ipa s VAL 19 N 0.00 2.53 -0.13 1.61 1.01 -1.26 -0.83 120.40 123.32 2ipa s VAL 19 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2ipa s VAL 19 Cb 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.42 2ipa s VAL 19 CO 0.00 0.55 0.04 -0.69 0.00 0.00 0.00 175.10 175.00 2ipa s VAL 20 N 0.17 0.26 -0.80 2.92 1.01 0.10 -2.63 120.40 121.45 2ipa s VAL 20 Ca -0.11 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 2ipa s VAL 20 Cb -0.16 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.60 2ipa s VAL 20 CO 0.06 -0.03 1.27 -0.22 0.00 0.00 0.00 175.10 176.18 2ipa s LEU 21 N 1.99 3.48 0.20 3.92 2.96 -0.19 -0.90 118.68 130.15 2ipa s LEU 21 Ca 0.02 -0.81 -0.17 0.00 -0.22 0.00 0.00 54.13 52.95 2ipa s LEU 21 Cb -0.15 -2.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.93 2ipa s LEU 21 CO -0.07 -1.68 0.65 0.00 -1.32 0.00 0.00 176.35 173.93 2ipa s ALA 22 N 5.22 3.47 0.02 5.97 0.00 -0.24 -1.12 121.76 135.08 2ipa s ALA 22 Ca 0.36 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.35 2ipa s ALA 22 Cb -0.07 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 2ipa s ALA 22 CO 0.08 0.38 -0.04 0.34 0.00 0.00 0.00 175.76 176.52 2ipa s ASP 23 N -1.76 0.36 -0.21 0.00 2.15 0.07 -1.28 116.67 116.00 2ipa s ASP 23 Ca 0.42 -0.39 -0.00 0.00 0.43 0.00 0.00 52.55 53.00 2ipa s ASP 23 Cb -0.15 0.06 0.06 0.00 -0.30 0.00 0.00 42.92 42.58 2ipa s ASP 23 CO 0.20 -0.20 -0.03 -0.36 -0.17 0.00 0.00 175.17 174.61 2ipa s PHE 24 N -1.09 1.93 0.11 -5.34 0.40 0.05 -0.89 117.98 113.15 2ipa s PHE 24 Ca -0.11 -1.41 0.09 0.00 -0.60 0.00 0.00 56.93 54.90 2ipa s PHE 24 Cb -0.08 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 2ipa s PHE 24 CO -0.00 -0.71 -0.23 1.67 0.70 0.00 0.00 175.22 176.65 2ipa s TRP 25 N 1.55 1.97 0.05 0.36 1.48 -1.09 -2.61 118.94 120.65 2ipa s TRP 25 Ca -0.03 -0.41 -0.26 0.00 -1.06 0.00 0.00 56.10 54.34 2ipa s TRP 25 Cb -0.18 -1.07 0.07 0.00 -1.16 0.00 0.00 33.47 31.13 2ipa s TRP 25 CO -0.07 0.25 0.62 0.00 -4.06 0.00 0.00 176.95 173.69 2ipa s ALA 26 N -1.13 -1.62 0.66 2.67 0.00 -1.26 -3.03 121.76 118.05 2ipa s ALA 26 Ca 0.09 0.85 0.32 0.00 0.00 0.00 0.00 51.96 53.22 2ipa s ALA 26 Cb -0.10 0.43 1.77 0.00 0.00 0.00 0.00 23.12 25.22 2ipa s ALA 26 CO 0.05 -0.56 2.01 -1.35 0.00 0.00 0.00 175.76 175.91 2ipa h PRO 27 N 2.55 0.00 -0.91 0.00 0.11 -2.01 -3.25 132.00 128.49 2ipa h PRO 27 Ca -0.31 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.07 2ipa h PRO 27 Cb 1.22 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2ipa h PRO 27 CO 0.39 0.00 0.72 -1.49 -0.21 0.00 0.00 178.00 177.41 2ipa h TRP 28 N 0.00 0.00 -3.27 0.65 4.06 -2.03 -3.44 115.95 111.92 2ipa h TRP 28 Ca 0.02 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.98 2ipa h TRP 28 Cb 0.57 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.66 2ipa h TRP 28 CO 0.00 0.00 0.08 0.00 -3.56 0.00 0.00 178.44 174.96 2ipa h GLY 30 N 2.11 0.64 0.47 0.00 0.00 -1.90 -3.18 103.07 101.21 2ipa h GLY 30 Ca -0.22 -0.29 0.22 0.00 0.00 0.00 0.00 47.33 47.03 2ipa h GLY 30 CO 0.29 0.28 0.55 -2.55 0.00 0.00 0.00 176.54 175.11 2ipa h PRO 31 N 0.56 0.00 -0.01 4.80 0.11 -1.98 0.91 132.00 136.39 2ipa h PRO 31 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2ipa h PRO 31 Cb 0.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 2ipa h PRO 31 CO -0.02 0.00 0.06 0.77 -0.21 0.00 0.00 178.00 178.60 2ipa h SER 32 N 0.00 0.00 -0.38 -2.05 0.02 -1.81 0.32 113.55 109.65 2ipa h SER 32 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2ipa h SER 32 Cb 1.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2ipa h SER 32 CO -0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 2ipa n LYS 33 N -3.19 2.91 0.00 3.45 4.01 0.31 -3.80 118.16 121.85 2ipa n LYS 33 Ca -0.03 -2.25 0.00 0.00 -0.51 0.00 0.00 58.31 55.53 2ipa n LYS 33 Cb 0.13 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.25 2ipa n LYS 33 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2ipa n MET 34 N 0.49 0.00 -0.09 1.97 2.81 -0.22 -4.51 117.12 117.56 2ipa n MET 34 Ca 0.15 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 56.05 2ipa n MET 34 Cb 0.53 -0.77 0.33 0.00 -0.71 0.00 0.00 33.22 32.60 2ipa n MET 34 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2ipa h ILE 35 N 0.00 1.16 0.80 2.02 6.09 -0.70 -1.88 117.51 124.99 2ipa h ILE 35 Ca 0.00 -0.35 -0.04 0.00 -1.37 0.00 0.00 64.86 63.11 2ipa h ILE 35 Cb 0.92 0.39 -0.00 0.00 0.47 0.00 0.00 36.82 38.60 2ipa h ILE 35 CO 0.00 0.16 -0.46 0.00 -3.07 0.00 0.00 178.15 174.78 2ipa h ALA 36 N 1.61 -1.21 -0.87 0.18 0.00 -1.73 0.40 119.26 117.65 2ipa h ALA 36 Ca 0.20 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2ipa h ALA 36 Cb -0.03 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2ipa h ALA 36 CO -0.04 -1.19 0.57 -1.00 0.00 0.00 0.00 179.25 177.60 2ipa h PRO 37 N -1.17 1.14 -0.87 0.00 0.13 -1.78 -2.26 132.00 127.18 2ipa h PRO 37 Ca -0.11 -0.07 0.06 0.00 -0.87 0.00 0.00 66.00 65.02 2ipa h PRO 37 Cb 0.93 -0.26 -0.06 0.00 0.13 0.00 0.00 31.00 31.74 2ipa h PRO 37 CO 0.13 0.76 0.54 0.28 -0.23 0.00 0.00 178.00 179.48 2ipa h VAL 38 N 1.18 1.04 -0.54 1.56 2.07 -1.06 0.16 116.25 120.65 2ipa h VAL 38 Ca 0.32 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 2ipa h VAL 38 Cb -0.14 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.58 2ipa h VAL 38 CO -0.07 0.18 -0.02 -0.07 0.02 0.00 0.00 177.57 177.62 2ipa h LEU 39 N 0.98 0.95 -0.98 2.57 4.07 -0.34 0.81 115.31 123.38 2ipa h LEU 39 Ca 0.38 -0.31 -0.08 0.00 0.08 0.00 0.00 57.88 57.95 2ipa h LEU 39 Cb 0.18 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 2ipa h LEU 39 CO -0.18 1.03 -0.12 -0.33 -1.08 0.00 0.00 178.44 177.76 2ipa h GLU 40 N 0.84 0.60 0.00 1.13 5.08 -1.07 0.74 114.58 121.91 2ipa h GLU 40 Ca 0.15 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2ipa h GLU 40 Cb 0.56 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2ipa h GLU 40 CO 0.03 0.71 -0.23 0.93 -1.00 0.00 0.00 179.01 179.45 2ipa h GLU 41 N 0.55 0.00 0.12 2.33 4.39 -0.64 -2.49 114.58 118.85 2ipa h GLU 41 Ca 0.10 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.61 2ipa h GLU 41 Cb 0.54 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2ipa h GLU 41 CO 0.03 0.23 -0.89 1.25 -1.16 0.00 0.00 179.01 178.48 2ipa h LEU 42 N 0.00 0.40 -0.74 1.33 7.12 -0.13 -3.30 115.31 119.99 2ipa h LEU 42 Ca -0.00 -0.92 -0.09 0.00 0.13 0.00 0.00 57.88 56.99 2ipa h LEU 42 Cb 0.74 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.72 2ipa h LEU 42 CO 0.03 1.41 -0.04 -0.78 -0.13 0.00 0.00 178.44 178.93 2ipa h ASP 43 N -0.43 0.91 0.30 1.25 3.58 -0.86 -0.05 116.42 121.11 2ipa h ASP 43 Ca -0.17 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2ipa h ASP 43 Cb 1.61 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2ipa h ASP 43 CO 0.11 0.99 0.00 0.00 -2.88 0.00 0.00 179.24 177.46 2ipa n GLN 44 N -4.18 0.30 -0.10 0.28 10.64 -0.94 -0.36 117.38 123.01 2ipa n GLN 44 Ca 0.02 0.10 -0.21 0.00 -1.83 0.00 0.00 57.00 55.08 2ipa n GLN 44 Cb 0.35 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 28.15 2ipa n GLN 44 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2ipa n GLU 45 N -1.25 0.44 -0.15 2.61 2.13 -0.57 -4.84 120.64 119.00 2ipa n GLU 45 Ca 0.09 0.18 0.02 0.00 0.66 0.00 0.00 57.16 58.12 2ipa n GLU 45 Cb 0.13 -1.24 0.03 0.00 0.27 0.00 0.00 31.44 30.64 2ipa n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ipa n MET 46 N -3.84 1.02 0.00 5.31 0.00 -0.14 -4.67 117.12 114.79 2ipa n MET 46 Ca -0.40 -1.38 0.04 0.00 0.00 0.00 0.00 57.70 55.96 2ipa n MET 46 Cb 0.79 -0.86 0.20 0.00 0.00 0.00 0.00 33.22 33.35 2ipa n MET 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ipa n GLY 47 N -0.47 -0.55 0.28 3.17 0.00 0.51 -1.31 105.19 106.81 2ipa n GLY 47 Ca 0.04 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2ipa n GLY 47 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2ipa h ASP 48 N 0.00 0.00 0.00 1.61 3.58 -1.83 0.73 116.42 120.50 2ipa h ASP 48 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2ipa h ASP 48 Cb 0.08 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 2ipa h ASP 48 CO 0.00 0.07 -1.06 0.29 -2.88 0.00 0.00 179.24 175.66 2ipa n LYS 49 N -3.77 2.07 -4.39 0.28 4.01 -0.43 -4.97 118.16 110.97 2ipa n LYS 49 Ca -0.02 -0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.50 2ipa n LYS 49 Cb 0.16 -1.02 -0.11 0.00 -0.51 0.00 0.00 35.03 33.54 2ipa n LYS 49 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2ipa s LEU 50 N -3.61 2.52 0.08 -0.35 2.96 -0.89 -4.71 118.68 114.69 2ipa s LEU 50 Ca -0.00 -0.78 0.08 0.00 -0.22 0.00 0.00 54.13 53.20 2ipa s LEU 50 Cb 0.00 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 2ipa s LEU 50 CO 0.04 0.13 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.27 2ipa s LYS 51 N -2.57 1.92 0.04 1.98 2.20 -1.08 -0.45 119.74 121.78 2ipa s LYS 51 Ca 0.20 -1.09 0.08 0.00 -0.36 0.00 0.00 55.97 54.80 2ipa s LYS 51 Cb -0.09 -2.15 -0.03 0.00 -1.51 0.00 0.00 37.83 34.06 2ipa s LYS 51 CO 0.10 0.51 -0.22 0.42 -0.36 0.00 0.00 175.35 175.80 2ipa s ILE 52 N -1.05 1.74 0.01 5.43 1.09 -1.16 -1.02 121.20 126.24 2ipa s ILE 52 Ca 0.17 -1.23 0.02 0.00 -1.10 0.00 0.00 60.65 58.50 2ipa s ILE 52 Cb -0.11 -1.51 -0.01 0.00 -1.06 0.00 0.00 42.46 39.78 2ipa s ILE 52 CO 0.08 0.23 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.41 2ipa s VAL 53 N -0.80 0.39 0.16 2.92 1.01 -0.28 -0.93 120.40 122.87 2ipa s VAL 53 Ca 0.08 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.70 2ipa s VAL 53 Cb -0.09 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2ipa s VAL 53 CO 0.02 -0.06 -0.19 -0.54 0.00 0.00 0.00 175.10 174.33 2ipa s LYS 54 N -0.56 1.73 -0.25 2.72 1.02 0.22 -0.75 119.74 123.88 2ipa s LYS 54 Ca -0.02 -1.32 -0.01 0.00 0.02 0.00 0.00 55.97 54.63 2ipa s LYS 54 Cb -0.04 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.27 2ipa s LYS 54 CO -0.00 0.44 -0.07 0.42 -0.92 0.00 0.00 175.35 175.23 2ipa s ILE 55 N -1.42 2.83 -1.35 2.17 -1.09 -0.07 -0.69 121.20 121.58 2ipa s ILE 55 Ca 0.20 -1.04 -0.17 0.00 -2.23 0.00 0.00 60.65 57.41 2ipa s ILE 55 Cb -0.09 -2.44 0.06 0.00 -1.58 0.00 0.00 42.46 38.41 2ipa s ILE 55 CO 0.11 0.20 1.89 -0.67 -1.23 0.00 0.00 174.94 175.24 2ipa n ASP 56 N 4.66 4.61 -0.25 3.58 2.03 -1.26 -2.68 116.55 127.25 2ipa n ASP 56 Ca -0.16 -2.90 -0.06 0.00 0.52 0.00 0.00 54.79 52.19 2ipa n ASP 56 Cb 0.47 -1.72 -0.05 0.00 -0.72 0.00 0.00 41.12 39.10 2ipa n ASP 56 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2ipa n VAL 57 N 6.00 -0.39 0.31 5.18 0.31 -1.17 -0.49 118.33 128.08 2ipa n VAL 57 Ca 0.50 1.42 0.17 0.00 -0.01 0.00 0.00 64.34 66.43 2ipa n VAL 57 Cb 0.44 -1.78 0.99 0.00 -0.91 0.00 0.00 33.84 32.58 2ipa n VAL 57 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2ipa h ASP 58 N 0.00 0.00 0.00 4.52 3.58 -1.91 0.36 116.42 122.97 2ipa h ASP 58 Ca 0.11 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.21 2ipa h ASP 58 Cb 0.26 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.24 2ipa h ASP 58 CO -0.56 0.01 -2.34 1.21 -2.88 0.00 0.00 179.24 174.68 2ipa n GLU 59 N -3.57 0.80 -0.90 0.28 2.13 -0.58 -4.80 120.64 114.00 2ipa n GLU 59 Ca -0.03 0.02 0.03 0.00 0.66 0.00 0.00 57.16 57.85 2ipa n GLU 59 Cb 0.10 -1.50 0.04 0.00 0.27 0.00 0.00 31.44 30.35 2ipa n GLU 59 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2ipa n ASN 60 N -2.82 0.78 0.00 4.31 3.02 0.36 -4.83 115.26 116.07 2ipa n ASN 60 Ca -0.34 -2.26 0.08 0.00 -0.03 0.00 0.00 54.58 52.03 2ipa n ASN 60 Cb 1.09 -0.29 0.48 0.00 -0.61 0.00 0.00 39.78 40.45 2ipa n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ipa n GLN 61 N -0.01 0.50 -0.22 3.52 10.64 0.12 -3.36 117.38 128.57 2ipa n GLN 61 Ca 0.06 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.25 2ipa n GLN 61 Cb 0.89 -1.50 0.14 0.00 -0.86 0.00 0.00 30.24 28.90 2ipa n GLN 61 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 2ipa h GLU 62 N 0.00 0.25 -0.70 2.61 5.08 -1.88 0.82 114.58 120.76 2ipa h GLU 62 Ca 0.00 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2ipa h GLU 62 Cb 0.00 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 2ipa h GLU 62 CO 0.00 0.16 0.39 1.15 -1.00 0.00 0.00 179.01 179.71 2ipa h THR 63 N 0.25 0.96 0.51 1.13 2.02 -1.85 -1.17 112.91 114.76 2ipa h THR 63 Ca 0.35 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 2ipa h THR 63 Cb 0.56 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2ipa h THR 63 CO -0.46 0.13 -0.24 0.00 0.37 0.00 0.00 175.52 175.32 2ipa h ALA 64 N 1.36 -0.73 -0.85 6.16 0.00 -1.19 -0.57 119.26 123.45 2ipa h ALA 64 Ca 0.31 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.27 2ipa h ALA 64 Cb 0.21 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 2ipa h ALA 64 CO -0.19 -0.68 0.33 0.78 0.00 0.00 0.00 179.25 179.49 2ipa h GLY 65 N -1.09 1.38 1.02 0.00 0.00 -1.02 0.59 103.07 103.95 2ipa h GLY 65 Ca -0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2ipa h GLY 65 CO 0.11 -0.23 0.19 1.70 0.00 0.00 0.00 176.54 178.31 2ipa h LYS 66 N 0.38 0.98 -0.21 4.80 3.64 -1.10 -2.51 116.57 122.56 2ipa h LYS 66 Ca 0.51 -0.21 -0.15 0.00 -1.27 0.00 0.00 60.65 59.53 2ipa h LYS 66 Cb 0.93 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2ipa h LYS 66 CO -0.52 0.87 -0.48 -0.92 -2.27 0.00 0.00 179.45 176.14 2ipa h TYR 67 N 0.91 0.67 -0.55 1.91 3.20 -0.46 -3.48 116.97 119.17 2ipa h TYR 67 Ca 0.20 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2ipa h TYR 67 Cb 0.30 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2ipa h TYR 67 CO 0.02 0.92 0.00 0.41 -1.64 0.00 0.00 178.16 177.87 2ipa n GLY 68 N 0.11 0.64 0.32 1.82 0.00 0.07 -5.08 105.19 103.07 2ipa n GLY 68 Ca -0.02 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 2ipa n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ipa n VAL 69 N -0.19 1.33 -0.46 1.61 0.31 -0.43 -4.98 118.33 115.51 2ipa n VAL 69 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 2ipa n VAL 69 Cb 0.09 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 2ipa n VAL 69 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2ipa n MET 70 N -4.09 -1.45 -4.07 5.55 0.00 -1.26 -4.86 117.12 106.93 2ipa n MET 70 Ca -0.10 0.19 -0.10 0.00 0.00 0.00 0.00 57.70 57.70 2ipa n MET 70 Cb 0.36 -3.56 -0.09 0.00 0.00 0.00 0.00 33.22 29.93 2ipa n MET 70 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2ipa s SER 71 N -1.06 0.21 -0.01 3.17 1.04 -1.26 -5.12 113.70 110.66 2ipa s SER 71 Ca 0.00 -1.07 -0.04 0.00 0.48 0.00 0.00 55.95 55.32 2ipa s SER 71 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2ipa s SER 71 CO 0.00 -0.79 0.08 -0.63 0.98 0.00 0.00 173.24 172.88 2ipa s ILE 72 N -4.01 0.05 0.08 -1.02 -1.09 -1.26 -4.13 121.20 109.82 2ipa s ILE 72 Ca 0.21 -0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 57.91 2ipa s ILE 72 Cb 0.06 -0.27 -0.05 0.00 -1.58 0.00 0.00 42.46 40.62 2ipa s ILE 72 CO 0.01 -0.24 0.92 -2.16 -1.23 0.00 0.00 174.94 172.24 2ipa s PRO 73 N -0.77 4.63 -0.01 2.79 0.04 -1.26 -4.75 135.00 135.67 2ipa s PRO 73 Ca -0.08 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.35 2ipa s PRO 73 Cb -0.05 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 2ipa s PRO 73 CO 0.00 0.19 -0.14 0.99 0.04 0.00 0.00 177.00 178.09 2ipa s THR 74 N 0.12 3.08 -0.05 1.26 2.01 -1.07 -1.33 115.64 119.66 2ipa s THR 74 Ca 0.45 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.64 2ipa s THR 74 Cb -0.22 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 2ipa s THR 74 CO 0.28 0.48 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.70 2ipa s LEU 75 N -1.07 2.20 -0.28 4.42 1.43 -0.06 -0.77 118.68 124.55 2ipa s LEU 75 Ca 0.13 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2ipa s LEU 75 Cb -0.11 -1.40 0.08 0.00 0.03 0.00 0.00 46.19 44.79 2ipa s LEU 75 CO 0.03 0.28 -0.00 -0.76 0.23 0.00 0.00 176.35 176.13 2ipa s LEU 76 N -0.39 3.27 -0.39 1.79 1.43 -0.40 -1.94 118.68 122.05 2ipa s LEU 76 Ca 0.03 -1.57 -0.22 0.00 -1.03 0.00 0.00 54.13 51.34 2ipa s LEU 76 Cb -0.12 -1.30 0.01 0.00 0.03 0.00 0.00 46.19 44.81 2ipa s LEU 76 CO 0.02 -0.30 0.74 -0.69 0.23 0.00 0.00 176.35 176.34 2ipa s VAL 77 N 1.25 4.75 0.10 -1.59 1.01 0.12 -1.08 120.40 124.96 2ipa s VAL 77 Ca 0.01 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.63 2ipa s VAL 77 Cb -0.19 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2ipa s VAL 77 CO -0.10 -0.50 0.22 -0.76 0.00 0.00 0.00 175.10 173.96 2ipa s LEU 78 N 3.05 4.28 -0.15 3.92 1.02 -0.08 -0.79 118.68 129.92 2ipa s LEU 78 Ca 0.29 0.19 -0.07 0.00 0.02 0.00 0.00 54.13 54.56 2ipa s LEU 78 Cb -0.13 -2.87 0.06 0.00 0.02 0.00 0.00 46.19 43.27 2ipa s LEU 78 CO 0.18 0.13 0.34 -0.75 0.02 0.00 0.00 176.35 176.27 2ipa s LYS 79 N -2.77 0.28 -0.50 1.70 2.20 0.43 -0.72 119.74 120.37 2ipa s LYS 79 Ca 0.34 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 2ipa s LYS 79 Cb -0.12 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.20 2ipa s LYS 79 CO 0.27 -0.20 0.00 -3.47 -0.36 0.00 0.00 175.35 171.60 2ipa n ASP 80 N 4.64 -1.50 0.00 1.43 2.03 -0.01 -2.07 116.55 121.06 2ipa n ASP 80 Ca -0.18 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ipa n ASP 80 Cb 0.53 -1.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.30 2ipa n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ipa n GLY 81 N -0.22 1.21 3.10 0.27 0.00 -0.98 -4.78 105.19 103.80 2ipa n GLY 81 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 2ipa n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ipa s GLU 82 N 0.00 0.64 0.21 1.61 -1.05 -0.88 -4.85 118.70 114.38 2ipa s GLU 82 Ca 0.00 -1.20 -0.30 0.00 -0.15 0.00 0.00 54.97 53.31 2ipa s GLU 82 Cb 0.00 0.12 -0.09 0.00 -0.44 0.00 0.00 34.13 33.71 2ipa s GLU 82 CO 0.00 -0.09 1.38 0.08 0.95 0.00 0.00 175.26 177.58 2ipa s VAL 83 N -3.70 2.98 0.00 1.83 1.01 -1.26 -0.43 120.40 120.83 2ipa s VAL 83 Ca 0.06 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2ipa s VAL 83 Cb 0.06 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2ipa s VAL 83 CO -0.08 0.11 0.00 1.33 0.00 0.00 0.00 175.10 176.46 2ipa n VAL 84 N 2.70 0.00 -3.90 2.92 0.24 0.03 -4.90 118.33 115.41 2ipa n VAL 84 Ca 0.07 -0.07 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 2ipa n VAL 84 Cb 0.42 0.49 -0.09 0.00 -1.47 0.00 0.00 33.84 33.19 2ipa n VAL 84 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ipa s GLU 85 N -1.44 0.62 -0.16 7.34 0.41 -1.03 -5.02 118.70 119.41 2ipa s GLU 85 Ca 0.00 -0.71 -0.11 0.00 -0.41 0.00 0.00 54.97 53.74 2ipa s GLU 85 Cb 0.00 0.25 0.05 0.00 -1.78 0.00 0.00 34.13 32.65 2ipa s GLU 85 CO 0.00 -0.16 0.41 0.99 -0.49 0.00 0.00 175.26 176.00 2ipa s THR 86 N -2.59 -0.02 0.09 3.63 2.01 -1.26 -0.70 115.64 116.80 2ipa s THR 86 Ca -0.05 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.88 2ipa s THR 86 Cb -0.01 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 71.92 2ipa s THR 86 CO -0.04 0.02 0.31 -0.94 -0.69 0.00 0.00 174.62 173.28 2ipa s SER 87 N 0.96 -0.10 -0.40 3.53 1.04 -0.82 -5.01 113.70 112.91 2ipa s SER 87 Ca -0.06 -0.37 0.07 0.00 0.48 0.00 0.00 55.95 56.07 2ipa s SER 87 Cb -0.06 0.40 0.24 0.00 0.10 0.00 0.00 66.02 66.69 2ipa s SER 87 CO -0.08 -0.74 0.52 0.55 0.98 0.00 0.00 173.24 174.47 2ipa n VAL 88 N 0.08 -0.73 0.00 5.02 3.14 -1.26 -0.88 118.33 123.70 2ipa n VAL 88 Ca -0.17 -3.77 0.00 0.00 -2.96 0.00 0.00 64.34 57.45 2ipa n VAL 88 Cb 0.62 -1.71 0.00 0.00 -1.06 0.00 0.00 33.84 31.69 2ipa n VAL 88 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ipa n GLY 89 N 1.64 1.95 3.74 7.55 0.00 -0.44 -4.83 105.19 114.80 2ipa n GLY 89 Ca 0.22 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 2ipa n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ipa s PHE 90 N -2.00 2.17 -0.05 1.61 5.36 -1.26 -4.81 117.98 119.01 2ipa s PHE 90 Ca 0.00 1.45 -0.02 0.00 -0.96 0.00 0.00 56.93 57.40 2ipa s PHE 90 Cb 0.00 -3.71 0.03 0.00 -0.34 0.00 0.00 43.02 39.00 2ipa s PHE 90 CO 0.00 -2.86 0.11 0.15 -1.46 0.00 0.00 175.22 171.16 2ipa s LYS 91 N -3.21 0.06 1.03 10.12 1.02 -1.26 -5.09 119.74 122.41 2ipa s LYS 91 Ca 0.79 0.30 -0.12 0.00 0.02 0.00 0.00 55.97 56.96 2ipa s LYS 91 Cb -0.38 -0.17 0.21 0.00 -0.52 0.00 0.00 37.83 36.96 2ipa s LYS 91 CO 0.42 -0.15 1.07 -1.25 -0.92 0.00 0.00 175.35 174.52 2ipa s PRO 92 N 1.04 0.17 0.26 -1.68 0.04 -1.26 -4.61 135.00 128.96 2ipa s PRO 92 Ca -0.08 0.75 -0.03 0.00 0.04 0.00 0.00 61.00 61.68 2ipa s PRO 92 Cb -0.11 -1.69 0.56 0.00 0.04 0.00 0.00 34.50 33.30 2ipa s PRO 92 CO -0.05 -2.97 1.64 -0.22 0.04 0.00 0.00 177.00 175.45 2ipa h LYS 93 N -2.07 0.16 -0.22 4.56 1.63 -1.97 0.70 116.57 119.36 2ipa h LYS 93 Ca -0.55 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.11 2ipa h LYS 93 Cb 1.32 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.91 2ipa h LYS 93 CO 0.54 0.11 -0.35 0.93 -3.45 0.00 0.00 179.45 177.22 2ipa h GLU 94 N 0.17 0.64 -0.36 1.90 5.08 -1.99 -1.29 114.58 118.72 2ipa h GLU 94 Ca 0.48 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2ipa h GLU 94 Cb 0.89 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2ipa h GLU 94 CO -0.65 1.00 -0.01 0.00 -1.00 0.00 0.00 179.01 178.35 2ipa h ALA 95 N 0.63 1.31 0.42 3.43 0.00 -1.63 0.30 119.26 123.72 2ipa h ALA 95 Ca 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2ipa h ALA 95 Cb 0.94 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ipa h ALA 95 CO 0.08 0.47 -0.20 1.25 0.00 0.00 0.00 179.25 180.85 2ipa h LEU 96 N 0.54 -0.48 -0.91 0.00 7.12 -0.72 -0.41 115.31 120.46 2ipa h LEU 96 Ca 0.11 -0.03 -0.05 0.00 0.13 0.00 0.00 57.88 58.05 2ipa h LEU 96 Cb 0.37 0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.59 2ipa h LEU 96 CO 0.01 -0.28 0.25 0.06 -0.13 0.00 0.00 178.44 178.35 2ipa h GLN 97 N -0.65 1.05 -0.22 1.25 3.07 -1.03 -2.45 115.11 116.14 2ipa h GLN 97 Ca -0.06 -0.20 -0.00 0.00 0.09 0.00 0.00 58.65 58.48 2ipa h GLN 97 Cb 0.48 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.86 2ipa h GLN 97 CO 0.10 0.87 0.12 1.49 0.09 0.00 0.00 178.83 181.50 2ipa h GLU 98 N 1.02 0.30 -0.68 0.06 4.81 -0.83 0.13 114.58 119.39 2ipa h GLU 98 Ca 0.23 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 2ipa h GLU 98 Cb 0.24 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 2ipa h GLU 98 CO -0.01 0.28 0.38 1.25 -0.73 0.00 0.00 179.01 180.17 2ipa h LEU 99 N 0.25 0.56 0.06 1.64 7.12 -0.60 -2.25 115.31 122.09 2ipa h LEU 99 Ca 0.08 0.03 -0.28 0.00 0.13 0.00 0.00 57.88 57.84 2ipa h LEU 99 Cb 0.06 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.09 2ipa h LEU 99 CO -0.01 0.36 -1.45 1.62 -0.13 0.00 0.00 178.44 178.83 2ipa h VAL 100 N 0.70 1.21 0.00 1.05 3.04 -1.44 -3.34 116.25 117.46 2ipa h VAL 100 Ca 0.31 -2.92 -0.01 0.00 -1.01 0.00 0.00 66.70 63.06 2ipa h VAL 100 Cb 0.20 2.70 -0.00 0.00 -2.01 0.00 0.00 31.29 32.17 2ipa h VAL 100 CO -0.19 0.78 -0.07 -1.13 -1.01 0.00 0.00 177.57 175.96 2ipa h ASN 101 N 0.03 0.00 -0.10 3.17 -1.24 -0.16 0.54 115.58 117.82 2ipa h ASN 101 Ca -0.20 0.00 0.03 0.00 0.71 0.00 0.00 56.30 56.84 2ipa h ASN 101 Cb 1.95 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 41.00 2ipa h ASN 101 CO 0.13 0.07 0.20 0.11 -1.29 0.00 0.00 177.43 176.65 2ipa h LYS 102 N 0.00 0.00 0.00 6.67 1.57 -1.60 -3.25 116.57 119.96 2ipa h LYS 102 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ipa h LYS 102 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2ipa h LYS 102 CO 0.01 0.00 -0.51 0.72 -0.57 0.00 0.00 179.45 179.10 2ipa n HIS 103 N -3.40 0.00 0.64 -1.35 8.25 -0.25 -5.17 115.22 113.94 2ipa n HIS 103 Ca -0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 2ipa n HIS 103 Cb 0.29 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.71 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87