#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 -0.35 -0.87 -5.12 0.00 -1.26 -5.02 121.76 109.14 2ipa s ALA 2 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 51.96 50.91 2ipa s ALA 2 Cb 0.00 1.02 0.07 0.00 0.00 0.00 0.00 23.12 24.21 2ipa s ALA 2 CO 0.00 -0.89 1.23 0.42 0.00 0.00 0.00 175.76 176.53 2ipa s ILE 3 N -3.83 4.18 0.98 0.00 1.09 -1.26 -3.42 121.20 118.95 2ipa s ILE 3 Ca 0.21 -0.69 -0.13 0.00 -1.10 0.00 0.00 60.65 58.93 2ipa s ILE 3 Cb -0.02 -4.88 0.18 0.00 -1.06 0.00 0.00 42.46 36.68 2ipa s ILE 3 CO 0.10 -1.71 1.13 -0.69 -0.10 0.00 0.00 174.94 173.66 2ipa s VAL 4 N 4.31 1.95 0.05 2.92 1.01 0.11 -4.87 120.40 125.87 2ipa s VAL 4 Ca 0.36 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.41 2ipa s VAL 4 Cb -0.06 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2ipa s VAL 4 CO -0.01 0.00 -0.22 -1.59 0.00 0.00 0.00 175.10 173.28 2ipa s LYS 5 N -5.21 1.45 0.41 2.72 0.00 -1.26 -0.45 119.74 117.40 2ipa s LYS 5 Ca 0.66 -0.98 0.07 0.00 0.00 0.00 0.00 55.97 55.72 2ipa s LYS 5 Cb -0.15 -1.58 -0.06 0.00 0.00 0.00 0.00 37.83 36.03 2ipa s LYS 5 CO 0.55 0.40 0.11 0.00 0.00 0.00 0.00 175.35 176.42 2ipa s ALA 6 N -0.81 3.42 0.15 0.59 0.00 0.30 -4.81 121.76 120.61 2ipa s ALA 6 Ca 0.08 -2.19 -0.04 0.00 0.00 0.00 0.00 51.96 49.81 2ipa s ALA 6 Cb -0.09 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.88 2ipa s ALA 6 CO 0.02 -0.15 0.27 -2.37 0.00 0.00 0.00 175.76 173.53 2ipa n THR 7 N -1.13 0.00 -0.32 0.00 5.66 -1.26 -4.73 114.28 112.50 2ipa n THR 7 Ca -0.03 -0.48 0.31 0.00 -3.05 0.00 0.00 64.05 60.81 2ipa n THR 7 Cb 0.65 0.40 0.56 0.00 -1.55 0.00 0.00 70.33 70.39 2ipa n THR 7 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2ipa n ASP 8 N -1.43 0.31 0.00 1.09 2.03 -1.26 -1.07 116.55 116.22 2ipa n ASP 8 Ca -0.02 1.52 0.00 0.00 0.52 0.00 0.00 54.79 56.80 2ipa n ASP 8 Cb 0.23 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 2ipa n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ipa n GLN 9 N -5.04 2.15 0.29 -0.67 6.02 -1.26 -4.67 117.38 114.20 2ipa n GLN 9 Ca 0.36 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.49 2ipa n GLN 9 Cb 1.24 -0.77 0.89 0.00 1.02 0.00 0.00 30.24 32.61 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 0.00 0.01 1.08 0.02 -1.92 -1.60 113.55 111.14 2ipa h SER 10 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2ipa h SER 10 Cb 0.55 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.04 2ipa h SER 10 CO 0.00 0.02 -0.38 0.15 -1.14 0.00 0.00 176.83 175.48 2ipa h PHE 11 N 0.00 -1.07 -0.55 3.45 3.57 -1.38 -0.85 116.94 120.12 2ipa h PHE 11 Ca -0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2ipa h PHE 11 Cb 0.05 0.47 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2ipa h PHE 11 CO 0.00 -0.47 0.33 0.77 -2.23 0.00 0.00 178.31 176.71 2ipa h SER 12 N -0.55 0.67 -0.38 0.41 0.02 -1.57 -2.06 113.55 110.09 2ipa h SER 12 Ca 0.05 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2ipa h SER 12 Cb 0.62 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2ipa h SER 12 CO -0.29 0.54 0.17 0.00 -1.14 0.00 0.00 176.83 176.11 2ipa h ALA 13 N 1.16 1.51 0.00 3.77 0.00 -1.15 -0.85 119.26 123.70 2ipa h ALA 13 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ipa h ALA 13 Cb -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2ipa h ALA 13 CO -0.04 0.38 -0.16 0.39 0.00 0.00 0.00 179.25 179.83 2ipa n GLU 14 N -4.37 0.16 0.00 0.00 -0.58 -0.35 -4.32 120.64 111.18 2ipa n GLU 14 Ca 0.03 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2ipa n GLU 14 Cb 0.14 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 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 -1.94 0.00 1.65 2.62 -2.24 -0.54 -4.73 114.28 109.10 2ipa n THR 15 Ca 0.06 -0.48 0.15 0.00 -2.27 0.00 0.00 64.05 61.50 2ipa n THR 15 Cb 0.40 1.01 0.82 0.00 -2.10 0.00 0.00 70.33 70.45 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 -0.76 0.00 -4.00 3.42 7.64 -0.44 -4.07 113.62 115.42 2ipa n SER 16 Ca 0.00 -0.60 -0.09 0.00 1.01 0.00 0.00 58.87 59.19 2ipa n SER 16 Cb 0.00 -0.12 -0.11 0.00 -1.01 0.00 0.00 64.21 62.98 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 -2.23 0.42 2.97 1.43 2.02 -1.26 -2.61 118.70 119.43 2ipa s GLU 17 Ca 0.38 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.59 2ipa s GLU 17 Cb 0.20 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.58 2ipa s GLU 17 CO 0.38 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.00 2ipa n GLY 18 N 1.14 0.31 3.32 -1.39 0.00 -1.26 -4.65 105.19 102.65 2ipa n GLY 18 Ca -0.21 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 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 2.78 -0.11 1.61 1.01 -1.26 -0.78 120.40 123.65 2ipa s VAL 19 Ca 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 2ipa s VAL 19 Cb 0.00 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.28 2ipa s VAL 19 CO 0.00 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 175.02 2ipa s VAL 20 N 0.46 -0.12 0.23 2.92 1.01 -0.12 -2.99 120.40 121.78 2ipa s VAL 20 Ca -0.11 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 2ipa s VAL 20 Cb -0.16 -0.37 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 2ipa s VAL 20 CO 0.05 -0.04 0.97 -0.22 0.00 0.00 0.00 175.10 175.86 2ipa s LEU 21 N 2.17 4.61 0.00 3.92 0.20 -0.30 -0.58 118.68 128.70 2ipa s LEU 21 Ca 0.04 1.98 0.07 0.00 0.69 0.00 0.00 54.13 56.91 2ipa s LEU 21 Cb -0.14 -3.61 -0.02 0.00 -0.43 0.00 0.00 46.19 41.99 2ipa s LEU 21 CO -0.06 0.07 -0.22 0.00 -0.29 0.00 0.00 176.35 175.85 2ipa s ALA 22 N -0.97 1.80 0.01 5.97 0.00 0.46 -1.10 121.76 127.93 2ipa s ALA 22 Ca 0.43 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.44 2ipa s ALA 22 Cb -0.27 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2ipa s ALA 22 CO 0.33 0.43 -0.09 0.34 0.00 0.00 0.00 175.76 176.77 2ipa s ASP 23 N -0.73 1.04 -0.17 0.00 2.15 0.12 -1.03 116.67 118.05 2ipa s ASP 23 Ca 0.08 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.82 2ipa s ASP 23 Cb -0.08 -0.09 0.04 0.00 -0.30 0.00 0.00 42.92 42.48 2ipa s ASP 23 CO 0.00 0.05 -0.09 -0.36 -0.17 0.00 0.00 175.17 174.60 2ipa s PHE 24 N -0.43 2.03 0.07 -5.34 0.40 0.12 -0.62 117.98 114.21 2ipa s PHE 24 Ca 0.01 -1.26 0.03 0.00 -0.60 0.00 0.00 56.93 55.11 2ipa s PHE 24 Cb -0.05 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 2ipa s PHE 24 CO 0.00 -0.66 -0.08 1.67 0.70 0.00 0.00 175.22 176.85 2ipa s TRP 25 N 1.53 0.85 0.11 0.36 1.48 -0.75 -2.57 118.94 119.95 2ipa s TRP 25 Ca 0.01 -0.66 -0.25 0.00 -1.06 0.00 0.00 56.10 54.14 2ipa s TRP 25 Cb -0.15 -0.49 0.08 0.00 -1.16 0.00 0.00 33.47 31.75 2ipa s TRP 25 CO -0.09 -0.08 0.74 0.00 -4.06 0.00 0.00 176.95 173.47 2ipa s ALA 26 N -2.29 -1.66 -0.06 2.67 0.00 -1.26 -1.56 121.76 117.60 2ipa s ALA 26 Ca 0.00 0.59 0.16 0.00 0.00 0.00 0.00 51.96 52.72 2ipa s ALA 26 Cb -0.04 0.70 0.88 0.00 0.00 0.00 0.00 23.12 24.66 2ipa s ALA 26 CO -0.01 -0.78 1.43 -2.30 0.00 0.00 0.00 175.76 174.10 2ipa n PRO 27 N -0.34 0.11 0.20 0.00 -0.02 -1.26 -3.66 135.00 130.03 2ipa n PRO 27 Ca -0.12 0.59 0.18 0.00 -2.02 0.00 0.00 63.50 62.13 2ipa n PRO 27 Cb 0.63 -2.04 0.83 0.00 -0.02 0.00 0.00 33.50 32.90 2ipa n PRO 27 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2ipa h TRP 28 N 0.00 0.00 -3.32 6.00 4.06 -2.00 -3.45 115.95 117.24 2ipa h TRP 28 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 2ipa h TRP 28 Cb 0.38 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.47 2ipa h TRP 28 CO 0.00 0.00 0.06 0.00 -3.56 0.00 0.00 178.44 174.94 2ipa h GLY 30 N 2.13 0.43 0.76 0.00 0.00 -1.91 -3.19 103.07 101.29 2ipa h GLY 30 Ca -0.23 -0.26 0.16 0.00 0.00 0.00 0.00 47.33 47.00 2ipa h GLY 30 CO 0.30 0.25 0.46 -2.55 0.00 0.00 0.00 176.54 174.99 2ipa h PRO 31 N 0.23 0.00 0.00 4.80 0.11 -1.95 0.50 132.00 135.68 2ipa h PRO 31 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2ipa h PRO 31 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2ipa h PRO 31 CO 0.00 0.00 0.03 0.77 -0.21 0.00 0.00 178.00 178.59 2ipa h SER 32 N 0.00 0.00 -0.12 -2.05 0.02 -1.82 0.31 113.55 109.89 2ipa h SER 32 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2ipa h SER 32 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 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 -2.56 2.64 0.00 3.45 4.01 0.16 -4.08 118.16 121.78 2ipa n LYS 33 Ca -0.02 -2.00 0.00 0.00 -0.51 0.00 0.00 58.31 55.78 2ipa n LYS 33 Cb 0.08 -1.26 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 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 -0.42 0.00 -0.22 1.97 2.81 -0.19 -4.53 117.12 116.55 2ipa n MET 34 Ca 0.08 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.95 2ipa n MET 34 Cb 0.44 -0.75 0.17 0.00 -0.71 0.00 0.00 33.22 32.38 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 1.23 0.40 2.02 6.09 -0.74 -2.57 117.51 123.94 2ipa h ILE 35 Ca 0.00 -0.64 -0.01 0.00 -1.37 0.00 0.00 64.86 62.85 2ipa h ILE 35 Cb 0.85 0.32 -0.02 0.00 0.47 0.00 0.00 36.82 38.45 2ipa h ILE 35 CO 0.00 0.27 -0.34 0.00 -3.07 0.00 0.00 178.15 175.01 2ipa h ALA 36 N 1.37 -0.77 -0.88 0.18 0.00 -1.71 0.74 119.26 118.18 2ipa h ALA 36 Ca 0.24 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2ipa h ALA 36 Cb 0.10 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2ipa h ALA 36 CO -0.03 -0.96 0.58 -1.00 0.00 0.00 0.00 179.25 177.84 2ipa h PRO 37 N -0.75 1.13 -0.88 0.00 0.13 -1.79 -1.85 132.00 127.99 2ipa h PRO 37 Ca -0.03 -0.07 0.09 0.00 -0.87 0.00 0.00 66.00 65.11 2ipa h PRO 37 Cb 0.66 -0.25 -0.06 0.00 0.13 0.00 0.00 31.00 31.47 2ipa h PRO 37 CO -0.03 0.75 0.57 0.28 -0.23 0.00 0.00 178.00 179.34 2ipa h VAL 38 N 1.16 1.00 -0.15 1.56 2.07 -0.96 0.98 116.25 121.90 2ipa h VAL 38 Ca 0.33 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2ipa h VAL 38 Cb -0.08 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.68 2ipa h VAL 38 CO -0.08 0.17 0.06 -0.07 0.02 0.00 0.00 177.57 177.66 2ipa h LEU 39 N 0.92 0.22 -0.92 2.57 3.38 -0.03 -0.65 115.31 120.80 2ipa h LEU 39 Ca 0.40 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 2ipa h LEU 39 Cb 0.34 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2ipa h LEU 39 CO -0.16 0.34 -0.16 -0.33 0.09 0.00 0.00 178.44 178.21 2ipa h GLU 40 N 0.09 0.61 0.00 1.13 5.08 -1.06 -0.10 114.58 120.33 2ipa h GLU 40 Ca 0.05 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2ipa h GLU 40 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2ipa h GLU 40 CO -0.00 0.75 0.00 0.93 -1.00 0.00 0.00 179.01 179.69 2ipa h GLU 41 N 0.55 0.00 0.08 2.33 5.08 -0.70 -2.20 114.58 119.72 2ipa h GLU 41 Ca 0.09 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.16 2ipa h GLU 41 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2ipa h GLU 41 CO 0.04 0.00 -1.60 1.25 -1.00 0.00 0.00 179.01 177.70 2ipa h LEU 42 N 0.00 0.25 -0.52 1.33 5.85 -0.22 -3.36 115.31 118.64 2ipa h LEU 42 Ca 0.00 -0.76 -0.15 0.00 0.84 0.00 0.00 57.88 57.81 2ipa h LEU 42 Cb 0.48 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2ipa h LEU 42 CO 0.00 1.67 -0.40 -0.78 -0.34 0.00 0.00 178.44 178.59 2ipa h ASP 43 N -0.42 0.81 0.41 1.25 3.58 -0.99 0.33 116.42 121.40 2ipa h ASP 43 Ca -0.37 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 56.71 2ipa h ASP 43 Cb 1.70 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.52 2ipa h ASP 43 CO -0.03 1.11 0.00 0.00 -2.88 0.00 0.00 179.24 177.44 2ipa n GLN 44 N -4.04 0.01 -0.10 0.28 10.64 -0.83 -0.54 117.38 122.79 2ipa n GLN 44 Ca -0.02 0.29 -0.21 0.00 -1.83 0.00 0.00 57.00 55.23 2ipa n GLN 44 Cb 0.54 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.34 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 -1.49 0.45 -0.20 2.61 2.13 -0.70 -4.83 120.64 118.60 2ipa n GLU 45 Ca 0.03 0.18 0.02 0.00 0.66 0.00 0.00 57.16 58.05 2ipa n GLU 45 Cb 0.14 -1.27 0.03 0.00 0.27 0.00 0.00 31.44 30.62 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 -3.79 0.75 0.00 5.31 0.00 0.02 -4.75 117.12 114.66 2ipa n MET 46 Ca -0.40 -1.32 0.05 0.00 0.00 0.00 0.00 57.70 56.02 2ipa n MET 46 Cb 0.81 -0.81 0.26 0.00 0.00 0.00 0.00 33.22 33.48 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 -0.41 -0.49 0.25 3.17 0.00 0.30 -1.36 105.19 106.65 2ipa n GLY 47 Ca 0.04 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.85 0.10 116.42 119.86 2ipa h ASP 48 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ipa h ASP 48 Cb 0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2ipa h ASP 48 CO 0.00 0.14 -1.02 0.29 -2.88 0.00 0.00 179.24 175.77 2ipa n LYS 49 N -3.48 0.80 -4.31 0.28 4.01 -0.47 -4.97 118.16 110.02 2ipa n LYS 49 Ca -0.01 -0.02 -0.21 0.00 -0.51 0.00 0.00 58.31 57.56 2ipa n LYS 49 Cb 0.30 -1.02 -0.13 0.00 -0.51 0.00 0.00 35.03 33.67 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 -3.08 2.24 0.05 -0.35 2.96 -1.06 -4.73 118.68 114.70 2ipa s LEU 50 Ca -0.01 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2ipa s LEU 50 Cb 0.02 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 2ipa s LEU 50 CO 0.12 0.02 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.37 2ipa s LYS 51 N -1.53 2.48 0.01 1.98 2.20 -1.16 -0.93 119.74 122.79 2ipa s LYS 51 Ca 0.02 -0.81 0.06 0.00 -0.36 0.00 0.00 55.97 54.88 2ipa s LYS 51 Cb -0.09 -2.48 -0.02 0.00 -1.51 0.00 0.00 37.83 33.73 2ipa s LYS 51 CO 0.02 0.57 -0.17 0.42 -0.36 0.00 0.00 175.35 175.83 2ipa s ILE 52 N -1.13 1.38 -0.00 5.43 1.01 -1.22 -1.15 121.20 125.52 2ipa s ILE 52 Ca 0.20 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.98 2ipa s ILE 52 Cb -0.11 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.17 2ipa s ILE 52 CO 0.12 0.27 -0.05 -0.69 0.00 0.00 0.00 174.94 174.59 2ipa s VAL 53 N -0.58 0.37 0.00 2.92 1.01 -0.26 -0.72 120.40 123.15 2ipa s VAL 53 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2ipa s VAL 53 Cb -0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 2ipa s VAL 53 CO 0.00 0.09 0.03 -0.75 0.00 0.00 0.00 175.10 174.47 2ipa s LYS 54 N -0.15 2.86 -0.14 2.72 2.47 0.40 -0.70 119.74 127.20 2ipa s LYS 54 Ca 0.01 -0.59 0.01 0.00 -1.56 0.00 0.00 55.97 53.85 2ipa s LYS 54 Cb -0.02 -2.72 0.02 0.00 -1.46 0.00 0.00 37.83 33.64 2ipa s LYS 54 CO -0.00 0.63 -0.17 0.42 0.16 0.00 0.00 175.35 176.38 2ipa s ILE 55 N -1.14 1.73 -0.43 5.43 -1.09 0.21 -0.53 121.20 125.38 2ipa s ILE 55 Ca 0.21 -0.76 -0.25 0.00 -2.23 0.00 0.00 60.65 57.62 2ipa s ILE 55 Cb -0.12 -1.58 0.02 0.00 -1.58 0.00 0.00 42.46 39.21 2ipa s ILE 55 CO 0.12 0.49 0.90 -0.62 -1.23 0.00 0.00 174.94 174.59 2ipa s ASP 56 N 1.15 6.53 -0.09 3.58 -1.08 -1.26 -1.81 116.67 123.69 2ipa s ASP 56 Ca -0.01 0.20 -0.01 0.00 -0.52 0.00 0.00 52.55 52.21 2ipa s ASP 56 Cb -0.14 -2.44 0.02 0.00 -1.46 0.00 0.00 42.92 38.90 2ipa s ASP 56 CO -0.06 -0.97 2.21 1.33 0.52 0.00 0.00 175.17 178.20 2ipa n VAL 57 N 6.26 2.33 0.00 1.11 0.24 -0.60 -1.66 118.33 126.00 2ipa n VAL 57 Ca 0.06 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 2ipa n VAL 57 Cb 0.48 -1.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 2ipa n VAL 57 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2ipa n ASP 58 N 1.34 0.00 -0.03 -1.34 2.03 -1.26 -4.72 116.55 112.57 2ipa n ASP 58 Ca 0.13 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.32 2ipa n ASP 58 Cb 0.57 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.86 2ipa n ASP 58 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2ipa h GLU 59 N 0.00 -0.04 -0.96 -0.67 4.81 -1.96 -3.40 114.58 112.37 2ipa h GLU 59 Ca 0.00 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.86 2ipa h GLU 59 Cb 0.00 0.01 -0.40 0.00 0.63 0.00 0.00 28.75 28.98 2ipa h GLU 59 CO 0.00 0.66 -1.11 0.27 -0.73 0.00 0.00 179.01 178.10 2ipa n ASN 60 N -4.75 2.05 0.00 1.04 6.94 -0.67 -4.90 115.26 114.98 2ipa n ASN 60 Ca -0.09 -2.76 0.11 0.00 -0.02 0.00 0.00 54.58 51.82 2ipa n ASN 60 Cb 0.35 -0.50 0.60 0.00 -2.36 0.00 0.00 39.78 37.87 2ipa n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ipa n GLN 61 N -0.24 0.56 -0.23 -3.83 10.64 -1.07 -4.15 117.38 119.06 2ipa n GLN 61 Ca 0.14 0.03 -0.00 0.00 -1.83 0.00 0.00 57.00 55.34 2ipa n GLN 61 Cb 0.80 -1.50 0.11 0.00 -0.86 0.00 0.00 30.24 28.79 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 0.56 -0.85 2.61 4.39 -1.90 0.89 114.58 120.28 2ipa h GLU 62 Ca 0.00 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.71 2ipa h GLU 62 Cb 0.06 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.53 2ipa h GLU 62 CO 0.00 0.37 0.54 1.15 -1.16 0.00 0.00 179.01 179.91 2ipa h THR 63 N 0.58 1.09 0.45 1.13 2.02 -1.83 0.10 112.91 116.44 2ipa h THR 63 Ca 0.32 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2ipa h THR 63 Cb 0.30 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2ipa h THR 63 CO -0.24 0.19 -0.22 0.00 0.37 0.00 0.00 175.52 175.62 2ipa h ALA 64 N 1.38 -0.70 -0.93 6.16 0.00 -1.18 -0.29 119.26 123.70 2ipa h ALA 64 Ca 0.36 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.35 2ipa h ALA 64 Cb 0.09 0.23 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 2ipa h ALA 64 CO -0.14 -0.66 0.47 0.78 0.00 0.00 0.00 179.25 179.70 2ipa h GLY 65 N -0.98 1.64 0.97 0.00 0.00 -1.19 -0.41 103.07 103.09 2ipa h GLY 65 Ca -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2ipa h GLY 65 CO 0.10 -0.22 0.21 1.70 0.00 0.00 0.00 176.54 178.33 2ipa h LYS 66 N 0.50 0.69 0.00 4.80 3.64 -0.85 -1.33 116.57 124.02 2ipa h LYS 66 Ca 0.57 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 2ipa h LYS 66 Cb 1.05 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2ipa h LYS 66 CO -0.48 0.60 0.00 0.66 -2.27 0.00 0.00 179.45 177.96 2ipa n TYR 67 N -4.61 0.32 -2.37 1.91 4.02 -0.13 -4.92 117.16 111.37 2ipa n TYR 67 Ca 0.01 0.12 -0.07 0.00 -0.01 0.00 0.00 57.90 57.96 2ipa n TYR 67 Cb 0.13 -0.69 0.03 0.00 -0.02 0.00 0.00 39.34 38.79 2ipa n TYR 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ipa n GLY 68 N 0.26 0.07 0.23 2.72 0.00 -0.25 -5.00 105.19 103.22 2ipa n GLY 68 Ca 0.04 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2ipa n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ipa n VAL 69 N -2.25 1.23 -1.03 1.61 0.24 -0.97 -4.98 118.33 112.17 2ipa n VAL 69 Ca -0.06 -0.37 -0.07 0.00 -2.04 0.00 0.00 64.34 61.80 2ipa n VAL 69 Cb 0.56 -1.61 -0.03 0.00 -1.47 0.00 0.00 33.84 31.29 2ipa n VAL 69 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2ipa n MET 70 N -3.69 -1.63 -4.12 7.34 2.81 -1.26 -4.88 117.12 111.68 2ipa n MET 70 Ca -0.42 0.56 -0.09 0.00 -1.81 0.00 0.00 57.70 55.95 2ipa n MET 70 Cb 0.85 -4.59 -0.10 0.00 -0.71 0.00 0.00 33.22 28.67 2ipa n MET 70 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2ipa s SER 71 N -1.72 0.78 0.01 7.83 0.01 -1.26 -5.14 113.70 114.21 2ipa s SER 71 Ca 0.00 -0.99 0.01 0.00 1.31 0.00 0.00 55.95 56.28 2ipa s SER 71 Cb 0.00 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.37 2ipa s SER 71 CO 0.00 -0.53 -0.04 -0.63 0.41 0.00 0.00 173.24 172.44 2ipa s ILE 72 N -3.73 0.31 0.03 1.44 1.09 -1.26 -3.68 121.20 115.40 2ipa s ILE 72 Ca 0.09 -0.47 -0.30 0.00 -1.10 0.00 0.00 60.65 58.86 2ipa s ILE 72 Cb 0.06 -0.32 -0.04 0.00 -1.06 0.00 0.00 42.46 41.10 2ipa s ILE 72 CO -0.07 -0.11 1.09 -2.16 -0.10 0.00 0.00 174.94 173.58 2ipa s PRO 73 N -0.63 4.49 0.01 2.79 0.04 -1.26 -4.73 135.00 135.72 2ipa s PRO 73 Ca -0.04 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 62.54 2ipa s PRO 73 Cb -0.05 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 2ipa s PRO 73 CO -0.00 -0.16 0.25 0.99 0.04 0.00 0.00 177.00 178.12 2ipa s THR 74 N 1.05 5.33 -0.04 1.26 2.01 -1.06 -1.21 115.64 122.98 2ipa s THR 74 Ca 0.55 0.07 -0.00 0.00 0.31 0.00 0.00 61.69 62.62 2ipa s THR 74 Cb -0.25 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.72 2ipa s THR 74 CO 0.28 0.33 0.00 -0.22 -0.69 0.00 0.00 174.62 174.33 2ipa s LEU 75 N -1.87 0.95 -0.23 4.42 2.96 0.20 -0.70 118.68 124.42 2ipa s LEU 75 Ca 0.28 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 2ipa s LEU 75 Cb -0.13 -0.29 0.06 0.00 0.50 0.00 0.00 46.19 46.32 2ipa s LEU 75 CO 0.17 -0.13 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.25 2ipa s LEU 76 N 1.34 2.65 -0.25 -0.68 1.43 -0.20 -1.14 118.68 121.83 2ipa s LEU 76 Ca -0.05 -1.18 -0.22 0.00 -1.03 0.00 0.00 54.13 51.65 2ipa s LEU 76 Cb -0.13 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 2ipa s LEU 76 CO -0.02 -0.22 0.70 -0.69 0.23 0.00 0.00 176.35 176.34 2ipa s VAL 77 N 1.36 4.94 0.12 -1.59 1.01 0.31 -0.40 120.40 126.14 2ipa s VAL 77 Ca -0.06 1.29 0.07 0.00 0.00 0.00 0.00 61.98 63.28 2ipa s VAL 77 Cb -0.19 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2ipa s VAL 77 CO -0.06 -0.00 -0.08 -0.76 0.00 0.00 0.00 175.10 174.19 2ipa s LEU 78 N 2.58 3.10 -0.17 3.92 1.02 0.25 -0.66 118.68 128.72 2ipa s LEU 78 Ca 0.29 -0.39 -0.07 0.00 0.02 0.00 0.00 54.13 53.98 2ipa s LEU 78 Cb -0.15 -1.87 0.07 0.00 0.02 0.00 0.00 46.19 44.26 2ipa s LEU 78 CO 0.08 0.16 0.38 -0.75 0.02 0.00 0.00 176.35 176.25 2ipa s LYS 79 N -2.34 0.32 -0.20 1.70 2.20 0.36 -0.95 119.74 120.82 2ipa s LYS 79 Ca 0.23 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 2ipa s LYS 79 Cb -0.11 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 2ipa s LYS 79 CO 0.15 -0.21 0.00 -3.47 -0.36 0.00 0.00 175.35 171.46 2ipa n ASP 80 N 4.85 -1.27 0.00 1.43 2.03 0.04 -2.06 116.55 121.57 2ipa n ASP 80 Ca -0.15 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2ipa n ASP 80 Cb 0.52 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 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 -0.42 1.25 3.09 0.27 0.00 -1.07 -4.75 105.19 103.56 2ipa n GLY 81 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 0.60 0.21 1.61 -1.05 -0.87 -4.85 118.70 114.35 2ipa s GLU 82 Ca 0.00 -1.14 -0.30 0.00 -0.15 0.00 0.00 54.97 53.37 2ipa s GLU 82 Cb 0.00 0.21 -0.10 0.00 -0.44 0.00 0.00 34.13 33.80 2ipa s GLU 82 CO 0.00 -0.11 1.44 0.08 0.95 0.00 0.00 175.26 177.61 2ipa s VAL 83 N -3.68 2.79 0.00 1.83 1.01 -1.26 -0.49 120.40 120.60 2ipa s VAL 83 Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.66 2ipa s VAL 83 Cb 0.06 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2ipa s VAL 83 CO -0.09 0.09 0.00 1.33 0.00 0.00 0.00 175.10 176.43 2ipa n VAL 84 N 2.80 0.00 -3.92 2.92 0.24 0.16 -4.90 118.33 115.64 2ipa n VAL 84 Ca 0.08 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.29 2ipa n VAL 84 Cb 0.40 0.35 -0.08 0.00 -1.47 0.00 0.00 33.84 33.04 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 -1.75 0.70 -0.03 7.34 0.41 -1.06 -5.02 118.70 119.30 2ipa s GLU 85 Ca 0.00 -0.89 -0.13 0.00 -0.41 0.00 0.00 54.97 53.53 2ipa s GLU 85 Cb 0.00 0.28 0.02 0.00 -1.78 0.00 0.00 34.13 32.65 2ipa s GLU 85 CO 0.00 -0.19 0.29 0.99 -0.49 0.00 0.00 175.26 175.86 2ipa s THR 86 N -3.31 0.05 -0.03 3.63 2.01 -1.26 -0.53 115.64 116.20 2ipa s THR 86 Ca 0.01 -0.42 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 2ipa s THR 86 Cb 0.03 -0.57 0.04 0.00 0.01 0.00 0.00 72.50 72.01 2ipa s THR 86 CO -0.08 -0.23 0.42 -0.44 -0.69 0.00 0.00 174.62 173.61 2ipa s SER 87 N -1.08 -0.34 -0.40 3.53 0.01 -0.30 -5.00 113.70 110.13 2ipa s SER 87 Ca -0.11 0.30 0.12 0.00 1.31 0.00 0.00 55.95 57.57 2ipa s SER 87 Cb -0.05 0.40 0.37 0.00 0.21 0.00 0.00 66.02 66.96 2ipa s SER 87 CO 0.03 -0.48 0.82 0.52 0.41 0.00 0.00 173.24 174.54 2ipa n VAL 88 N 1.24 0.66 0.00 3.43 0.31 -1.26 -0.63 118.33 122.08 2ipa n VAL 88 Ca -0.20 -4.47 0.00 0.00 -0.01 0.00 0.00 64.34 59.65 2ipa n VAL 88 Cb 0.56 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 2ipa n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ipa n GLY 89 N 0.10 1.76 3.74 2.92 0.00 -0.35 -4.81 105.19 108.56 2ipa n GLY 89 Ca 0.24 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 2.31 -0.12 1.61 5.36 -1.26 -4.76 117.98 119.13 2ipa s PHE 90 Ca 0.00 1.61 -0.08 0.00 -0.96 0.00 0.00 56.93 57.49 2ipa s PHE 90 Cb 0.00 -3.23 0.04 0.00 -0.34 0.00 0.00 43.02 39.49 2ipa s PHE 90 CO 0.00 -2.11 0.30 0.15 -1.46 0.00 0.00 175.22 172.10 2ipa s LYS 91 N -4.40 0.31 1.03 10.12 1.02 -1.26 -5.10 119.74 121.47 2ipa s LYS 91 Ca 0.67 0.50 -0.13 0.00 0.02 0.00 0.00 55.97 57.03 2ipa s LYS 91 Cb -0.22 0.05 0.21 0.00 -0.52 0.00 0.00 37.83 37.35 2ipa s LYS 91 CO 0.50 -0.10 1.08 -1.25 -0.92 0.00 0.00 175.35 174.66 2ipa s PRO 92 N 0.69 0.15 0.21 -1.68 0.04 -1.26 -4.61 135.00 128.54 2ipa s PRO 92 Ca -0.04 0.55 -0.10 0.00 0.04 0.00 0.00 61.00 61.45 2ipa s PRO 92 Cb -0.06 -1.70 0.28 0.00 0.04 0.00 0.00 34.50 33.06 2ipa s PRO 92 CO -0.04 -2.93 1.71 -0.22 0.04 0.00 0.00 177.00 175.55 2ipa h LYS 93 N -2.04 0.26 -0.36 4.56 3.11 -1.96 0.68 116.57 120.83 2ipa h LYS 93 Ca -0.56 -0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 57.15 2ipa h LYS 93 Cb 1.33 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.50 2ipa h LYS 93 CO 0.57 0.17 -0.22 0.93 -2.81 0.00 0.00 179.45 178.09 2ipa h GLU 94 N 0.27 0.78 -0.34 1.90 5.08 -1.98 -0.67 114.58 119.61 2ipa h GLU 94 Ca 0.31 -0.36 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2ipa h GLU 94 Cb 0.45 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2ipa h GLU 94 CO -0.39 0.98 -0.22 0.00 -1.00 0.00 0.00 179.01 178.39 2ipa h ALA 95 N 0.78 0.99 -0.13 3.43 0.00 -1.68 0.47 119.26 123.11 2ipa h ALA 95 Ca 0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2ipa h ALA 95 Cb 0.78 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2ipa h ALA 95 CO 0.06 0.60 -0.02 1.25 0.00 0.00 0.00 179.25 181.14 2ipa h LEU 96 N 0.58 0.25 -0.98 0.00 5.85 -0.72 -0.26 115.31 120.02 2ipa h LEU 96 Ca 0.09 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 2ipa h LEU 96 Cb 0.68 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2ipa h LEU 96 CO 0.05 0.53 0.10 0.06 -0.34 0.00 0.00 178.44 178.84 2ipa h GLN 97 N -0.04 0.83 -0.27 1.25 3.07 -1.01 -2.60 115.11 116.35 2ipa h GLN 97 Ca 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 58.65 58.58 2ipa h GLN 97 Cb 0.41 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.84 2ipa h GLN 97 CO 0.01 0.77 0.11 1.49 0.09 0.00 0.00 178.83 181.31 2ipa h GLU 98 N 0.80 0.41 -0.88 0.06 4.81 -0.73 0.12 114.58 119.17 2ipa h GLU 98 Ca 0.17 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 2ipa h GLU 98 Cb 0.34 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 2ipa h GLU 98 CO 0.00 0.43 0.53 1.25 -0.73 0.00 0.00 179.01 180.49 2ipa h LEU 99 N 0.29 0.80 0.18 1.64 5.85 -0.68 -2.09 115.31 121.30 2ipa h LEU 99 Ca 0.09 0.03 -0.29 0.00 0.84 0.00 0.00 57.88 58.55 2ipa h LEU 99 Cb 0.17 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.09 2ipa h LEU 99 CO -0.01 0.48 -1.40 1.62 -0.34 0.00 0.00 178.44 178.79 2ipa h VAL 100 N 0.92 1.17 -0.72 1.05 3.04 -1.38 -3.37 116.25 116.96 2ipa h VAL 100 Ca 0.40 -2.53 0.09 0.00 -1.01 0.00 0.00 66.70 63.66 2ipa h VAL 100 Cb 0.29 2.91 -0.05 0.00 -2.01 0.00 0.00 31.29 32.44 2ipa h VAL 100 CO -0.22 0.77 0.47 -1.13 -1.01 0.00 0.00 177.57 176.46 2ipa h ASN 101 N -0.10 0.56 0.35 3.17 -1.24 -0.40 0.32 115.58 118.25 2ipa h ASN 101 Ca -0.27 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.75 2ipa h ASN 101 Cb 1.93 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.87 2ipa h ASN 101 CO 0.16 0.34 0.00 2.29 -1.29 0.00 0.00 177.43 178.93 2ipa n LYS 102 N -4.49 0.11 0.00 6.67 2.85 -0.82 -3.08 118.16 119.39 2ipa n LYS 102 Ca 0.12 0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 2ipa n LYS 102 Cb 0.33 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 2ipa n LYS 102 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2ipa n HIS 103 N -1.38 0.00 0.00 5.58 8.25 -0.39 -5.14 115.22 122.14 2ipa n HIS 103 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2ipa n HIS 103 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87