#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ipa n ALA 2 N 0.00 -2.89 -2.96 -5.12 0.00 -1.26 -4.77 120.51 103.52 2ipa n ALA 2 Ca 0.00 0.72 -0.44 0.00 0.00 0.00 0.00 53.44 53.72 2ipa n ALA 2 Cb 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 2ipa n ALA 2 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ipa s ILE 3 N -4.35 4.62 0.83 0.00 1.09 -1.26 -3.98 121.20 118.14 2ipa s ILE 3 Ca 0.00 -0.64 -0.12 0.00 -1.10 0.00 0.00 60.65 58.79 2ipa s ILE 3 Cb 0.00 -4.54 0.09 0.00 -1.06 0.00 0.00 42.46 36.94 2ipa s ILE 3 CO 0.00 -1.21 1.11 -0.69 -0.10 0.00 0.00 174.94 174.04 2ipa s VAL 4 N 3.25 2.81 -0.16 2.92 1.01 -0.17 -4.90 120.40 125.15 2ipa s VAL 4 Ca 0.17 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2ipa s VAL 4 Cb -0.20 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.21 2ipa s VAL 4 CO 0.09 -0.34 -0.11 -0.75 0.00 0.00 0.00 175.10 173.99 2ipa s LYS 5 N -5.18 1.98 0.91 2.72 2.20 -1.26 -0.62 119.74 120.49 2ipa s LYS 5 Ca 0.61 -0.61 -0.13 0.00 -0.36 0.00 0.00 55.97 55.48 2ipa s LYS 5 Cb -0.15 -2.13 0.14 0.00 -1.51 0.00 0.00 37.83 34.19 2ipa s LYS 5 CO 0.54 -0.33 1.18 0.00 -0.36 0.00 0.00 175.35 176.37 2ipa s ALA 6 N 1.51 2.01 0.24 3.13 0.00 0.30 -4.90 121.76 124.05 2ipa s ALA 6 Ca 0.02 -0.70 -0.06 0.00 0.00 0.00 0.00 51.96 51.22 2ipa s ALA 6 Cb -0.14 -2.96 0.03 0.00 0.00 0.00 0.00 23.12 20.04 2ipa s ALA 6 CO -0.09 -2.24 0.42 -2.37 0.00 0.00 0.00 175.76 171.49 2ipa n THR 7 N -3.71 0.00 -0.37 0.00 5.66 -1.26 -4.75 114.28 109.84 2ipa n THR 7 Ca 0.09 -0.79 0.32 0.00 -3.05 0.00 0.00 64.05 60.62 2ipa n THR 7 Cb 0.60 0.64 0.55 0.00 -1.55 0.00 0.00 70.33 70.57 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 -1.50 0.20 0.00 1.09 2.03 -1.26 -1.29 116.55 115.83 2ipa n ASP 8 Ca -0.03 1.22 0.00 0.00 0.52 0.00 0.00 54.79 56.49 2ipa n ASP 8 Cb 0.37 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 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 -4.50 1.18 0.32 -0.67 6.02 -1.26 -4.62 117.38 113.85 2ipa n GLN 9 Ca 0.33 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.52 2ipa n GLN 9 Cb 1.26 -0.65 1.06 0.00 1.02 0.00 0.00 30.24 32.93 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 -0.33 1.08 0.02 -1.91 -1.22 113.55 111.19 2ipa h SER 10 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2ipa h SER 10 Cb 0.30 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.76 2ipa h SER 10 CO 0.00 0.01 -0.22 0.15 -1.14 0.00 0.00 176.83 175.63 2ipa h PHE 11 N 0.00 -0.56 -0.46 3.45 3.57 -1.49 -0.27 116.94 121.17 2ipa h PHE 11 Ca -0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2ipa h PHE 11 Cb 0.05 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2ipa h PHE 11 CO 0.00 -0.30 0.22 0.77 -2.23 0.00 0.00 178.31 176.77 2ipa h SER 12 N -0.18 0.61 -0.49 0.41 0.02 -1.50 -2.40 113.55 110.02 2ipa h SER 12 Ca 0.17 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2ipa h SER 12 Cb 0.44 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2ipa h SER 12 CO -0.43 0.57 0.23 0.00 -1.14 0.00 0.00 176.83 176.05 2ipa h ALA 13 N 1.06 1.41 0.00 3.77 0.00 -1.26 -0.19 119.26 124.04 2ipa h ALA 13 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ipa h ALA 13 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2ipa h ALA 13 CO -0.02 0.46 0.00 0.39 0.00 0.00 0.00 179.25 180.08 2ipa n GLU 14 N -4.35 0.10 0.00 0.00 -0.58 -0.16 -4.09 120.64 111.56 2ipa n GLU 14 Ca 0.04 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2ipa n GLU 14 Cb 0.15 -1.63 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 -1.81 0.00 0.54 2.62 -2.24 -0.39 -4.77 114.28 108.24 2ipa n THR 15 Ca 0.06 -0.42 0.09 0.00 -2.27 0.00 0.00 64.05 61.51 2ipa n THR 15 Cb 0.35 1.11 0.37 0.00 -2.10 0.00 0.00 70.33 70.06 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 -0.26 0.11 -4.01 3.42 7.64 -0.22 -2.43 113.62 117.87 2ipa n SER 16 Ca 0.00 0.52 -0.08 0.00 1.01 0.00 0.00 58.87 60.32 2ipa n SER 16 Cb 0.03 -0.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.58 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 -3.05 0.57 3.76 1.43 2.02 -1.26 -3.08 118.70 119.09 2ipa s GLU 17 Ca 0.07 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.10 2ipa s GLU 17 Cb 0.11 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.55 2ipa s GLU 17 CO 0.32 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.89 2ipa n GLY 18 N 0.53 0.80 3.23 -1.39 0.00 -1.26 -4.60 105.19 102.51 2ipa n GLY 18 Ca -0.17 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 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 2.01 -0.12 1.61 1.01 -1.26 -0.69 120.40 122.96 2ipa s VAL 19 Ca 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 2ipa s VAL 19 Cb 0.00 -1.72 0.06 0.00 0.00 0.00 0.00 36.38 34.72 2ipa s VAL 19 CO 0.00 0.55 0.16 -0.69 0.00 0.00 0.00 175.10 175.12 2ipa s VAL 20 N 0.10 -0.24 -0.14 2.92 1.01 0.01 -3.10 120.40 120.96 2ipa s VAL 20 Ca -0.11 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 2ipa s VAL 20 Cb -0.16 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 2ipa s VAL 20 CO 0.06 0.00 1.07 -0.22 0.00 0.00 0.00 175.10 176.01 2ipa s LEU 21 N 2.27 4.20 -0.06 3.92 1.98 -0.29 -0.77 118.68 129.93 2ipa s LEU 21 Ca 0.04 1.54 0.02 0.00 -2.89 0.00 0.00 54.13 52.84 2ipa s LEU 21 Cb -0.13 -3.55 -0.03 0.00 0.66 0.00 0.00 46.19 43.14 2ipa s LEU 21 CO -0.08 -0.56 -0.09 0.00 -1.89 0.00 0.00 176.35 173.73 2ipa s ALA 22 N 2.52 2.90 0.06 5.97 0.00 -0.17 -0.90 121.76 132.13 2ipa s ALA 22 Ca 0.49 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.56 2ipa s ALA 22 Cb -0.18 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 2ipa s ALA 22 CO 0.15 0.57 -0.10 0.34 0.00 0.00 0.00 175.76 176.72 2ipa s ASP 23 N -0.81 1.18 -0.13 0.00 2.15 -0.12 -1.06 116.67 117.89 2ipa s ASP 23 Ca 0.12 -0.63 -0.01 0.00 0.43 0.00 0.00 52.55 52.46 2ipa s ASP 23 Cb -0.11 0.01 0.03 0.00 -0.30 0.00 0.00 42.92 42.56 2ipa s ASP 23 CO 0.01 -0.19 -0.03 -0.36 -0.17 0.00 0.00 175.17 174.43 2ipa s PHE 24 N -1.63 1.27 0.03 -5.34 0.40 0.08 -0.30 117.98 112.50 2ipa s PHE 24 Ca -0.04 -0.70 -0.00 0.00 -0.60 0.00 0.00 56.93 55.59 2ipa s PHE 24 Cb -0.08 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.31 2ipa s PHE 24 CO 0.01 -0.51 -0.03 1.67 0.70 0.00 0.00 175.22 177.06 2ipa s TRP 25 N 1.78 0.40 -0.03 0.36 1.48 -0.70 -2.64 118.94 119.58 2ipa s TRP 25 Ca 0.03 -0.73 -0.29 0.00 -1.06 0.00 0.00 56.10 54.05 2ipa s TRP 25 Cb -0.14 -0.29 0.11 0.00 -1.16 0.00 0.00 33.47 31.99 2ipa s TRP 25 CO -0.07 -0.25 0.91 0.00 -4.06 0.00 0.00 176.95 173.48 2ipa s ALA 26 N -2.40 -1.84 0.02 2.67 0.00 -1.26 -1.26 121.76 117.69 2ipa s ALA 26 Ca -0.06 1.12 0.16 0.00 0.00 0.00 0.00 51.96 53.17 2ipa s ALA 26 Cb -0.03 0.23 0.85 0.00 0.00 0.00 0.00 23.12 24.17 2ipa s ALA 26 CO -0.04 -0.62 1.40 -1.35 0.00 0.00 0.00 175.76 175.14 2ipa h PRO 27 N 2.10 0.00 -0.01 0.00 0.11 -1.98 -3.19 132.00 129.03 2ipa h PRO 27 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2ipa h PRO 27 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ipa h PRO 27 CO 0.31 0.00 0.01 -1.49 -0.21 0.00 0.00 178.00 176.62 2ipa h TRP 28 N 0.00 0.00 -3.44 0.65 4.06 -2.01 -3.45 115.95 111.76 2ipa h TRP 28 Ca 0.00 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.63 2ipa h TRP 28 Cb 0.50 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.52 2ipa h TRP 28 CO 0.00 0.00 -0.71 0.00 -3.56 0.00 0.00 178.44 174.17 2ipa h GLY 30 N 2.79 0.04 0.39 0.00 0.00 -1.91 -3.20 103.07 101.18 2ipa h GLY 30 Ca -0.36 -0.04 0.21 0.00 0.00 0.00 0.00 47.33 47.14 2ipa h GLY 30 CO 0.64 0.03 0.60 -2.55 0.00 0.00 0.00 176.54 175.26 2ipa h PRO 31 N -0.31 0.00 0.00 4.80 0.11 -1.96 0.01 132.00 134.65 2ipa h PRO 31 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2ipa h PRO 31 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 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 -0.10 -2.05 0.02 -1.83 0.25 113.55 109.84 2ipa h SER 32 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2ipa h SER 32 Cb 1.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.08 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 -2.50 2.40 0.00 3.45 4.01 -0.01 -4.13 118.16 121.39 2ipa n LYS 33 Ca -0.02 -2.18 0.00 0.00 -0.51 0.00 0.00 58.31 55.61 2ipa n LYS 33 Cb 0.07 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.24 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 -0.64 0.00 -0.03 1.97 2.81 -0.10 -4.54 117.12 116.59 2ipa n MET 34 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2ipa n MET 34 Cb 0.52 -0.65 0.31 0.00 -0.71 0.00 0.00 33.22 32.68 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 1.18 0.71 2.02 6.09 -0.88 -2.24 117.51 124.39 2ipa h ILE 35 Ca 0.00 -0.62 -0.03 0.00 -1.37 0.00 0.00 64.86 62.83 2ipa h ILE 35 Cb 0.83 0.75 0.00 0.00 0.47 0.00 0.00 36.82 38.87 2ipa h ILE 35 CO 0.00 0.23 -0.39 0.00 -3.07 0.00 0.00 178.15 174.92 2ipa h ALA 36 N 1.54 -1.04 -1.00 0.18 0.00 -1.72 0.04 119.26 117.26 2ipa h ALA 36 Ca 0.14 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2ipa h ALA 36 Cb 0.21 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2ipa h ALA 36 CO -0.01 -1.09 0.66 -1.00 0.00 0.00 0.00 179.25 177.81 2ipa h PRO 37 N -1.02 1.25 -0.87 0.00 0.13 -1.79 -2.14 132.00 127.56 2ipa h PRO 37 Ca -0.09 -0.08 0.09 0.00 -0.87 0.00 0.00 66.00 65.05 2ipa h PRO 37 Cb 0.81 -0.28 -0.06 0.00 0.13 0.00 0.00 31.00 31.59 2ipa h PRO 37 CO 0.12 0.83 0.57 0.28 -0.23 0.00 0.00 178.00 179.57 2ipa h VAL 38 N 1.29 0.99 -0.24 1.56 2.07 -1.06 0.11 116.25 120.97 2ipa h VAL 38 Ca 0.39 -0.31 -0.17 0.00 0.82 0.00 0.00 66.70 67.43 2ipa h VAL 38 Cb -0.04 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 2ipa h VAL 38 CO -0.11 0.16 -0.51 -0.07 0.02 0.00 0.00 177.57 177.06 2ipa h LEU 39 N 0.89 0.87 -1.08 2.57 4.07 -0.35 0.17 115.31 122.45 2ipa h LEU 39 Ca 0.40 -0.55 -0.07 0.00 0.08 0.00 0.00 57.88 57.74 2ipa h LEU 39 Cb 0.35 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 2ipa h LEU 39 CO -0.16 1.26 -0.06 -0.33 -1.08 0.00 0.00 178.44 178.06 2ipa h GLU 40 N 0.51 0.58 0.00 1.13 5.08 -0.97 0.59 114.58 121.51 2ipa h GLU 40 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2ipa h GLU 40 Cb 1.12 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2ipa h GLU 40 CO 0.11 0.65 0.00 0.93 -1.00 0.00 0.00 179.01 179.70 2ipa h GLU 41 N 0.54 0.00 0.11 2.33 5.08 -0.66 -2.29 114.58 119.69 2ipa h GLU 41 Ca 0.11 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.18 2ipa h GLU 41 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2ipa h GLU 41 CO 0.02 0.00 -1.51 1.25 -1.00 0.00 0.00 179.01 177.77 2ipa h LEU 42 N 0.00 0.37 -0.42 1.33 5.85 0.21 -3.34 115.31 119.30 2ipa h LEU 42 Ca 0.00 -0.85 -0.18 0.00 0.84 0.00 0.00 57.88 57.70 2ipa h LEU 42 Cb 0.50 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 2ipa h LEU 42 CO 0.00 1.66 -0.63 -0.78 -0.34 0.00 0.00 178.44 178.34 2ipa h ASP 43 N -0.28 0.64 0.55 1.25 3.58 -0.87 -0.51 116.42 120.79 2ipa h ASP 43 Ca -0.33 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 56.74 2ipa h ASP 43 Cb 1.78 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.65 2ipa h ASP 43 CO 0.05 1.12 0.00 0.00 -2.88 0.00 0.00 179.24 177.52 2ipa n GLN 44 N -3.92 0.10 -0.13 0.28 10.64 -0.87 -0.33 117.38 123.15 2ipa n GLN 44 Ca -0.04 0.37 -0.21 0.00 -1.83 0.00 0.00 57.00 55.29 2ipa n GLN 44 Cb 0.66 -1.71 -0.12 0.00 -0.86 0.00 0.00 30.24 28.21 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 -1.90 0.64 -0.39 2.61 4.07 -0.73 -4.79 120.64 120.14 2ipa n GLU 45 Ca 0.02 0.18 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 2ipa n GLU 45 Cb 0.18 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.05 2ipa n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ipa n MET 46 N -3.52 0.00 0.00 5.31 0.00 -0.28 -4.85 117.12 113.79 2ipa n MET 46 Ca -0.48 -0.67 0.06 0.00 0.00 0.00 0.00 57.70 56.61 2ipa n MET 46 Cb 0.96 -0.37 0.35 0.00 0.00 0.00 0.00 33.22 34.16 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 0.00 -0.49 0.23 3.17 0.00 0.55 -1.30 105.19 107.35 2ipa n GLY 47 Ca 0.00 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.89 0.06 116.42 119.78 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 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2ipa h ASP 48 CO 0.00 0.23 -1.07 0.29 -2.88 0.00 0.00 179.24 175.80 2ipa n LYS 49 N -3.52 1.03 -4.27 0.28 4.01 -0.42 -4.98 118.16 110.29 2ipa n LYS 49 Ca -0.01 -0.04 -0.19 0.00 -0.51 0.00 0.00 58.31 57.56 2ipa n LYS 49 Cb 0.38 -1.06 -0.13 0.00 -0.51 0.00 0.00 35.03 33.72 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 -3.18 2.21 0.02 -0.35 2.96 -1.08 -4.76 118.68 114.50 2ipa s LEU 50 Ca -0.01 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 2ipa s LEU 50 Cb 0.03 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.14 2ipa s LEU 50 CO 0.22 -0.01 0.02 -0.75 -1.32 0.00 0.00 176.35 174.51 2ipa s LYS 51 N -1.35 2.82 -0.03 1.98 2.20 -1.18 -0.96 119.74 123.21 2ipa s LYS 51 Ca -0.00 -0.62 0.05 0.00 -0.36 0.00 0.00 55.97 55.03 2ipa s LYS 51 Cb -0.09 -2.69 -0.01 0.00 -1.51 0.00 0.00 37.83 33.53 2ipa s LYS 51 CO 0.02 0.61 -0.17 0.42 -0.36 0.00 0.00 175.35 175.87 2ipa s ILE 52 N -1.16 1.36 0.00 5.43 1.01 -1.26 -1.14 121.20 125.45 2ipa s ILE 52 Ca 0.22 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.18 2ipa s ILE 52 Cb -0.12 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 2ipa s ILE 52 CO 0.13 0.39 -0.05 -0.69 0.00 0.00 0.00 174.94 174.72 2ipa s VAL 53 N -0.15 0.37 0.16 2.92 1.01 -0.08 -1.00 120.40 123.63 2ipa s VAL 53 Ca 0.01 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.76 2ipa s VAL 53 Cb -0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 2ipa s VAL 53 CO 0.01 0.02 -0.16 -0.54 0.00 0.00 0.00 175.10 174.43 2ipa s LYS 54 N -0.33 1.83 -0.19 2.72 1.02 0.21 -0.94 119.74 124.06 2ipa s LYS 54 Ca -0.00 -1.30 -0.00 0.00 0.02 0.00 0.00 55.97 54.69 2ipa s LYS 54 Cb -0.03 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 2ipa s LYS 54 CO -0.00 0.44 -0.16 0.42 -0.92 0.00 0.00 175.35 175.13 2ipa s ILE 55 N -1.50 2.43 -0.48 2.17 -1.09 0.59 -0.54 121.20 122.79 2ipa s ILE 55 Ca 0.21 -0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 57.53 2ipa s ILE 55 Cb -0.09 -2.04 0.03 0.00 -1.58 0.00 0.00 42.46 38.77 2ipa s ILE 55 CO 0.12 0.51 1.20 -0.62 -1.23 0.00 0.00 174.94 174.92 2ipa s ASP 56 N 1.27 6.54 0.00 3.58 -1.08 -1.26 -1.72 116.67 124.00 2ipa s ASP 56 Ca 0.04 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 2ipa s ASP 56 Cb -0.14 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2ipa s ASP 56 CO -0.09 -1.33 1.17 1.33 0.52 0.00 0.00 175.17 176.77 2ipa n VAL 57 N 6.88 1.17 0.00 1.11 0.24 -0.39 -0.71 118.33 126.63 2ipa n VAL 57 Ca 0.12 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2ipa n VAL 57 Cb 0.49 -1.10 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 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 0.90 0.00 0.11 -1.34 2.03 -1.26 -4.63 116.55 112.36 2ipa n ASP 58 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 2ipa n ASP 58 Cb 0.44 0.01 -0.14 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.34 -0.12 -0.67 4.81 -1.95 -3.38 114.58 113.60 2ipa h GLU 59 Ca 0.00 -0.57 -0.18 0.00 -0.13 0.00 0.00 59.36 58.48 2ipa h GLU 59 Cb 0.00 0.21 -0.31 0.00 0.63 0.00 0.00 28.75 29.28 2ipa h GLU 59 CO 0.00 1.27 -0.92 0.09 -0.73 0.00 0.00 179.01 178.72 2ipa n ASN 60 N -3.58 1.52 0.15 1.04 3.02 0.11 -4.89 115.26 112.62 2ipa n ASN 60 Ca -0.10 -2.55 0.13 0.00 -0.03 0.00 0.00 54.58 52.03 2ipa n ASN 60 Cb 1.04 -0.38 0.51 0.00 -0.61 0.00 0.00 39.78 40.33 2ipa n ASN 60 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 2ipa h GLN 61 N 1.35 0.00 -0.76 3.52 -0.00 -1.67 -3.34 115.11 114.21 2ipa h GLN 61 Ca -0.12 0.00 0.15 0.00 -0.00 0.00 0.00 58.65 58.68 2ipa h GLN 61 Cb 1.57 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 28.95 2ipa h GLN 61 CO 0.14 0.00 0.28 0.93 -0.00 0.00 0.00 178.83 180.17 2ipa h GLU 62 N 0.00 0.38 -0.85 0.06 5.08 -1.90 0.27 114.58 117.62 2ipa h GLU 62 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2ipa h GLU 62 Cb 0.39 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2ipa h GLU 62 CO 0.00 0.25 0.54 1.15 -1.00 0.00 0.00 179.01 179.95 2ipa h THR 63 N 0.39 1.23 0.20 1.13 2.02 -1.82 -0.19 112.91 115.86 2ipa h THR 63 Ca 0.43 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2ipa h THR 63 Cb 0.69 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2ipa h THR 63 CO -0.44 0.23 -0.09 0.00 0.37 0.00 0.00 175.52 175.58 2ipa h ALA 64 N 1.44 -0.69 -0.95 6.16 0.00 -0.76 -0.67 119.26 123.78 2ipa h ALA 64 Ca 0.31 -0.06 0.28 0.00 0.00 0.00 0.00 54.91 55.44 2ipa h ALA 64 Cb -0.09 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 17.63 2ipa h ALA 64 CO -0.06 -0.67 0.18 0.78 0.00 0.00 0.00 179.25 179.47 2ipa h GLY 65 N -0.38 1.44 0.92 0.00 0.00 -1.22 -0.87 103.07 102.95 2ipa h GLY 65 Ca -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2ipa h GLY 65 CO 0.04 -0.50 0.09 1.70 0.00 0.00 0.00 176.54 177.87 2ipa h LYS 66 N 0.08 0.56 -0.06 4.80 3.64 -0.98 -3.02 116.57 121.58 2ipa h LYS 66 Ca 0.62 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.75 2ipa h LYS 66 Cb 1.34 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 2ipa h LYS 66 CO -0.80 0.60 -0.49 -0.92 -2.27 0.00 0.00 179.45 175.57 2ipa h TYR 67 N 0.41 0.18 0.00 1.91 3.20 0.11 -3.47 116.97 119.31 2ipa h TYR 67 Ca 0.11 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2ipa h TYR 67 Cb 0.29 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2ipa h TYR 67 CO 0.01 0.61 0.00 0.41 -1.64 0.00 0.00 178.16 177.55 2ipa n GLY 68 N -0.05 0.78 2.90 1.82 0.00 -0.45 -5.10 105.19 105.08 2ipa n GLY 68 Ca -0.02 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 2ipa n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ipa s VAL 69 N -1.56 -0.04 0.00 1.61 1.01 -0.60 -4.98 120.40 115.84 2ipa s VAL 69 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2ipa s VAL 69 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.21 2ipa s VAL 69 CO 0.00 0.06 0.62 1.15 0.00 0.00 0.00 175.10 176.93 2ipa n MET 70 N 3.91 0.00 -4.16 2.72 0.00 -1.26 -2.97 117.12 115.36 2ipa n MET 70 Ca -0.23 -0.42 -0.10 0.00 0.00 0.00 0.00 57.70 56.95 2ipa n MET 70 Cb 0.53 -0.24 -0.10 0.00 0.00 0.00 0.00 33.22 33.42 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 -0.36 0.65 0.03 3.17 1.04 -1.26 -5.15 113.70 111.82 2ipa s SER 71 Ca 0.00 -1.14 0.05 0.00 0.48 0.00 0.00 55.95 55.34 2ipa s SER 71 Cb 0.00 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 2ipa s SER 71 CO 0.00 -0.64 -0.16 -0.63 0.98 0.00 0.00 173.24 172.79 2ipa s ILE 72 N -3.88 1.29 0.29 -1.02 -1.09 -1.26 -4.21 121.20 111.32 2ipa s ILE 72 Ca 0.20 -0.96 -0.14 0.00 -2.23 0.00 0.00 60.65 57.52 2ipa s ILE 72 Cb 0.07 -1.13 -0.09 0.00 -1.58 0.00 0.00 42.46 39.74 2ipa s ILE 72 CO -0.01 0.15 0.69 -2.16 -1.23 0.00 0.00 174.94 172.39 2ipa s PRO 73 N -0.93 3.97 0.09 2.79 0.04 -1.26 -4.78 135.00 134.92 2ipa s PRO 73 Ca 0.04 0.60 0.09 0.00 0.04 0.00 0.00 61.00 61.77 2ipa s PRO 73 Cb -0.08 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 2ipa s PRO 73 CO 0.01 0.21 -0.23 0.99 0.04 0.00 0.00 177.00 178.01 2ipa s THR 74 N -1.92 2.46 0.01 1.26 2.01 -1.08 -1.11 115.64 117.26 2ipa s THR 74 Ca 0.52 -1.49 0.06 0.00 0.31 0.00 0.00 61.69 61.09 2ipa s THR 74 Cb -0.11 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 2ipa s THR 74 CO 0.18 0.22 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.38 2ipa s LEU 75 N -1.73 2.08 -0.25 4.42 1.43 0.13 -0.74 118.68 124.02 2ipa s LEU 75 Ca 0.14 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2ipa s LEU 75 Cb -0.10 -0.94 0.07 0.00 0.03 0.00 0.00 46.19 45.25 2ipa s LEU 75 CO 0.06 0.20 0.01 -0.76 0.23 0.00 0.00 176.35 176.09 2ipa s LEU 76 N -0.68 2.31 -0.27 1.79 1.43 -0.22 -1.59 118.68 121.44 2ipa s LEU 76 Ca 0.07 -1.27 -0.26 0.00 -1.03 0.00 0.00 54.13 51.63 2ipa s LEU 76 Cb -0.08 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.16 2ipa s LEU 76 CO 0.00 -0.31 0.92 -0.69 0.23 0.00 0.00 176.35 176.51 2ipa s VAL 77 N 1.53 4.72 0.08 -1.59 1.01 0.36 -1.00 120.40 125.50 2ipa s VAL 77 Ca 0.00 1.64 0.05 0.00 0.00 0.00 0.00 61.98 63.67 2ipa s VAL 77 Cb -0.18 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2ipa s VAL 77 CO -0.11 -0.22 -0.04 -0.76 0.00 0.00 0.00 175.10 173.96 2ipa s LEU 78 N 3.13 3.30 -0.13 3.92 1.02 0.05 -0.62 118.68 129.34 2ipa s LEU 78 Ca 0.39 -0.23 -0.08 0.00 0.02 0.00 0.00 54.13 54.22 2ipa s LEU 78 Cb -0.14 -2.03 0.05 0.00 0.02 0.00 0.00 46.19 44.08 2ipa s LEU 78 CO 0.10 0.19 0.32 -0.75 0.02 0.00 0.00 176.35 176.23 2ipa s LYS 79 N -2.14 0.31 -0.42 1.70 2.20 0.20 -0.81 119.74 120.79 2ipa s LYS 79 Ca 0.23 0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 56.41 2ipa s LYS 79 Cb -0.11 -0.00 0.02 0.00 -1.51 0.00 0.00 37.83 36.22 2ipa s LYS 79 CO 0.15 -0.13 0.06 -3.47 -0.36 0.00 0.00 175.35 171.60 2ipa n ASP 80 N 3.85 -1.87 0.00 1.43 2.03 0.13 -1.73 116.55 120.39 2ipa n ASP 80 Ca -0.21 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2ipa n ASP 80 Cb 0.55 -1.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 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 -0.64 0.89 3.14 0.27 0.00 -1.02 -4.71 105.19 103.13 2ipa n GLY 81 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.78 0.74 0.16 1.61 -1.05 -0.71 -4.88 118.70 113.79 2ipa s GLU 82 Ca 0.00 -1.00 -0.30 0.00 -0.15 0.00 0.00 54.97 53.52 2ipa s GLU 82 Cb 0.00 -0.52 -0.08 0.00 -0.44 0.00 0.00 34.13 33.09 2ipa s GLU 82 CO 0.00 0.09 1.28 0.08 0.95 0.00 0.00 175.26 177.66 2ipa s VAL 83 N -1.88 3.45 0.00 1.83 1.01 -1.26 -0.63 120.40 122.93 2ipa s VAL 83 Ca -0.01 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.12 2ipa s VAL 83 Cb -0.06 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2ipa s VAL 83 CO 0.00 0.15 0.00 1.33 0.00 0.00 0.00 175.10 176.58 2ipa n VAL 84 N 3.05 0.00 -3.96 2.92 0.24 0.20 -4.91 118.33 115.87 2ipa n VAL 84 Ca 0.07 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.28 2ipa n VAL 84 Cb 0.44 0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 32.86 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 -1.98 1.03 -0.01 7.34 0.41 -1.07 -5.02 118.70 119.41 2ipa s GLU 85 Ca 0.00 -1.15 -0.16 0.00 -0.41 0.00 0.00 54.97 53.25 2ipa s GLU 85 Cb 0.00 0.35 0.03 0.00 -1.78 0.00 0.00 34.13 32.73 2ipa s GLU 85 CO 0.00 -0.36 0.35 0.99 -0.49 0.00 0.00 175.26 175.75 2ipa s THR 86 N -3.95 0.05 -0.01 3.63 2.01 -1.26 -0.49 115.64 115.63 2ipa s THR 86 Ca 0.14 -0.44 -0.22 0.00 0.31 0.00 0.00 61.69 61.48 2ipa s THR 86 Cb 0.04 -0.68 0.05 0.00 0.01 0.00 0.00 72.50 71.92 2ipa s THR 86 CO -0.03 -0.24 0.49 -0.44 -0.69 0.00 0.00 174.62 173.71 2ipa s SER 87 N -1.37 -0.41 -0.44 3.53 0.01 -0.62 -4.97 113.70 109.42 2ipa s SER 87 Ca -0.13 0.32 0.08 0.00 1.31 0.00 0.00 55.95 57.54 2ipa s SER 87 Cb -0.04 0.43 0.27 0.00 0.21 0.00 0.00 66.02 66.89 2ipa s SER 87 CO 0.04 -0.57 0.62 0.55 0.41 0.00 0.00 173.24 174.29 2ipa n VAL 88 N 0.92 0.12 0.00 3.43 3.14 -1.26 -0.69 118.33 123.99 2ipa n VAL 88 Ca -0.20 -4.40 0.00 0.00 -2.96 0.00 0.00 64.34 56.78 2ipa n VAL 88 Cb 0.57 -1.66 0.00 0.00 -1.06 0.00 0.00 33.84 31.70 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 1.03 2.37 3.79 7.55 0.00 -0.27 -4.85 105.19 114.81 2ipa n GLY 89 Ca 0.24 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 2ipa n GLY 89 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ipa s PHE 90 N -2.00 2.79 -0.05 1.61 -0.12 -1.26 -4.78 117.98 114.17 2ipa s PHE 90 Ca 0.00 1.51 -0.08 0.00 -0.05 0.00 0.00 56.93 58.31 2ipa s PHE 90 Cb 0.00 -3.00 0.01 0.00 -0.63 0.00 0.00 43.02 39.40 2ipa s PHE 90 CO 0.00 -1.54 0.19 0.21 -0.05 0.00 0.00 175.22 174.03 2ipa s LYS 91 N -4.77 0.34 0.96 1.99 2.47 -1.26 -5.11 119.74 114.36 2ipa s LYS 91 Ca 0.61 0.04 -0.12 0.00 -1.56 0.00 0.00 55.97 54.94 2ipa s LYS 91 Cb -0.16 0.15 0.17 0.00 -1.46 0.00 0.00 37.83 36.53 2ipa s LYS 91 CO 0.52 -0.06 1.10 -1.25 0.16 0.00 0.00 175.35 175.81 2ipa s PRO 92 N -0.43 0.72 0.22 4.03 0.04 -1.26 -4.68 135.00 133.63 2ipa s PRO 92 Ca -0.05 0.59 -0.08 0.00 0.04 0.00 0.00 61.00 61.50 2ipa s PRO 92 Cb -0.04 -1.77 0.32 0.00 0.04 0.00 0.00 34.50 33.06 2ipa s PRO 92 CO 0.01 -2.55 1.75 -0.22 0.04 0.00 0.00 177.00 176.03 2ipa h LYS 93 N -1.76 0.46 -0.39 4.56 3.11 -1.97 0.36 116.57 120.94 2ipa h LYS 93 Ca -0.53 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.21 2ipa h LYS 93 Cb 1.32 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.43 2ipa h LYS 93 CO 0.57 0.31 -0.05 0.93 -2.81 0.00 0.00 179.45 178.40 2ipa h GLU 94 N 0.48 0.73 -0.28 1.90 5.08 -1.98 -0.56 114.58 119.95 2ipa h GLU 94 Ca 0.33 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2ipa h GLU 94 Cb 0.40 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2ipa h GLU 94 CO -0.30 0.84 -0.23 0.00 -1.00 0.00 0.00 179.01 178.32 2ipa h ALA 95 N 0.86 1.09 0.31 3.43 0.00 -1.70 0.29 119.26 123.53 2ipa h ALA 95 Ca 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2ipa h ALA 95 Cb 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ipa h ALA 95 CO 0.03 0.56 -0.15 1.25 0.00 0.00 0.00 179.25 180.94 2ipa h LEU 96 N 0.47 -0.35 -0.91 0.00 7.12 -0.71 -0.56 115.31 120.37 2ipa h LEU 96 Ca 0.07 -0.03 -0.06 0.00 0.13 0.00 0.00 57.88 57.99 2ipa h LEU 96 Cb 0.65 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.85 2ipa h LEU 96 CO 0.05 -0.20 0.10 0.06 -0.13 0.00 0.00 178.44 178.32 2ipa h GLN 97 N -0.48 0.90 -0.31 1.25 3.07 -0.90 -2.28 115.11 116.38 2ipa h GLN 97 Ca -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 58.65 58.48 2ipa h GLN 97 Cb 0.36 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.78 2ipa h GLN 97 CO 0.07 0.83 0.16 1.49 0.09 0.00 0.00 178.83 181.48 2ipa h GLU 98 N 0.86 0.43 -1.00 0.06 4.81 -0.85 0.34 114.58 119.22 2ipa h GLU 98 Ca 0.18 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 2ipa h GLU 98 Cb 0.37 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 2ipa h GLU 98 CO 0.01 0.37 0.65 1.25 -0.73 0.00 0.00 179.01 180.56 2ipa h LEU 99 N 0.37 1.07 0.22 1.64 5.85 -0.52 -0.65 115.31 123.28 2ipa h LEU 99 Ca 0.11 -0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.48 2ipa h LEU 99 Cb 0.07 -0.23 0.02 0.00 0.37 0.00 0.00 40.66 40.89 2ipa h LEU 99 CO -0.02 0.71 -1.63 1.62 -0.34 0.00 0.00 178.44 178.78 2ipa h VAL 100 N 1.22 1.10 -0.30 1.05 3.04 -1.44 -3.33 116.25 117.59 2ipa h VAL 100 Ca 0.41 -2.61 0.09 0.00 -1.01 0.00 0.00 66.70 63.58 2ipa h VAL 100 Cb 0.07 2.89 -0.01 0.00 -2.01 0.00 0.00 31.29 32.23 2ipa h VAL 100 CO -0.15 0.84 0.25 -1.13 -1.01 0.00 0.00 177.57 176.37 2ipa h ASN 101 N 0.13 0.00 -0.09 3.17 -1.24 -0.35 0.32 115.58 117.52 2ipa h ASN 101 Ca -0.30 0.00 0.03 0.00 0.71 0.00 0.00 56.30 56.73 2ipa h ASN 101 Cb 2.13 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 41.18 2ipa h ASN 101 CO 0.22 0.00 0.20 0.11 -1.29 0.00 0.00 177.43 176.68 2ipa h LYS 102 N 0.00 0.00 0.00 6.67 1.57 -1.24 -3.25 116.57 120.31 2ipa h LYS 102 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2ipa h LYS 102 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2ipa h LYS 102 CO -0.00 0.00 -0.60 0.72 -0.57 0.00 0.00 179.45 179.00 2ipa n HIS 103 N -3.32 0.00 0.43 -1.35 8.25 -0.17 -5.14 115.22 113.91 2ipa n HIS 103 Ca -0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 2ipa n HIS 103 Cb 0.29 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.60 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87