#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 0.15 -0.83 -5.12 0.00 -1.26 -5.00 121.76 109.70 2ipa s ALA 2 Ca 0.00 -1.12 -0.26 0.00 0.00 0.00 0.00 51.96 50.59 2ipa s ALA 2 Cb 0.00 1.14 0.04 0.00 0.00 0.00 0.00 23.12 24.29 2ipa s ALA 2 CO 0.00 -0.80 1.33 0.42 0.00 0.00 0.00 175.76 176.71 2ipa s ILE 3 N -3.88 3.79 0.85 0.00 1.09 -1.26 -3.48 121.20 118.31 2ipa s ILE 3 Ca 0.26 0.02 -0.12 0.00 -1.10 0.00 0.00 60.65 59.72 2ipa s ILE 3 Cb 0.01 -4.97 0.10 0.00 -1.06 0.00 0.00 42.46 36.54 2ipa s ILE 3 CO 0.11 -1.88 1.10 -0.69 -0.10 0.00 0.00 174.94 173.48 2ipa s VAL 4 N 5.48 2.78 0.03 2.92 1.01 -0.10 -4.93 120.40 127.59 2ipa s VAL 4 Ca 0.39 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.68 2ipa s VAL 4 Cb -0.05 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 2ipa s VAL 4 CO 0.07 -0.33 -0.19 -0.75 0.00 0.00 0.00 175.10 173.90 2ipa s LYS 5 N -5.08 1.30 0.46 2.72 2.20 -1.26 -1.30 119.74 118.77 2ipa s LYS 5 Ca 0.62 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 55.43 2ipa s LYS 5 Cb -0.16 -1.35 -0.04 0.00 -1.51 0.00 0.00 37.83 34.77 2ipa s LYS 5 CO 0.55 0.35 0.02 0.00 -0.36 0.00 0.00 175.35 175.91 2ipa s ALA 6 N -0.73 3.58 0.00 3.13 0.00 -0.15 -4.85 121.76 122.75 2ipa s ALA 6 Ca 0.06 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2ipa s ALA 6 Cb -0.08 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2ipa s ALA 6 CO 0.01 -0.10 0.00 -2.37 0.00 0.00 0.00 175.76 173.30 2ipa n THR 7 N -1.10 0.00 -0.41 0.00 5.66 -1.26 -4.72 114.28 112.45 2ipa n THR 7 Ca -0.12 0.00 0.33 0.00 -3.05 0.00 0.00 64.05 61.21 2ipa n THR 7 Cb 0.67 0.00 0.61 0.00 -1.55 0.00 0.00 70.33 70.06 2ipa n THR 7 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2ipa h ASP 8 N 0.00 0.29 0.00 1.09 3.58 -1.96 -2.52 116.42 116.91 2ipa h ASP 8 Ca 0.00 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2ipa h ASP 8 Cb 0.00 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2ipa h ASP 8 CO 0.00 -0.12 -0.49 0.00 -2.88 0.00 0.00 179.24 175.75 2ipa n GLN 9 N -4.68 2.51 0.23 0.28 6.02 -1.26 -4.70 117.38 115.78 2ipa n GLN 9 Ca 0.34 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.49 2ipa n GLN 9 Cb 1.29 -0.74 0.77 0.00 1.02 0.00 0.00 30.24 32.57 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 -0.14 1.08 0.02 -1.89 -1.79 113.55 110.83 2ipa h SER 10 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2ipa h SER 10 Cb 0.24 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.72 2ipa h SER 10 CO 0.00 0.00 -0.46 0.15 -1.14 0.00 0.00 176.83 175.38 2ipa h PHE 11 N 0.00 -1.34 -0.56 3.45 3.04 -1.76 -2.17 116.94 117.60 2ipa h PHE 11 Ca 0.00 0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 2ipa h PHE 11 Cb 0.22 0.61 -0.02 0.00 2.56 0.00 0.00 35.95 39.31 2ipa h PHE 11 CO 0.00 -0.50 0.24 0.77 -2.02 0.00 0.00 178.31 176.80 2ipa h SER 12 N -0.52 0.76 -0.01 0.41 0.02 -1.63 -1.52 113.55 111.06 2ipa h SER 12 Ca 0.06 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2ipa h SER 12 Cb 0.65 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 2ipa h SER 12 CO -0.42 0.71 0.01 0.00 -1.14 0.00 0.00 176.83 175.99 2ipa h ALA 13 N 1.08 1.32 0.00 3.77 0.00 -1.43 -1.67 119.26 122.33 2ipa h ALA 13 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2ipa h ALA 13 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ipa h ALA 13 CO -0.02 -0.02 -1.65 0.39 0.00 0.00 0.00 179.25 177.95 2ipa n GLU 14 N -3.52 0.46 -0.00 0.00 -0.58 -0.65 -4.59 120.64 111.76 2ipa n GLU 14 Ca -0.03 -0.13 0.05 0.00 -0.42 0.00 0.00 57.16 56.63 2ipa n GLU 14 Cb 0.09 -1.53 -0.06 0.00 -0.57 0.00 0.00 31.44 29.37 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 -2.05 0.00 0.21 2.62 -2.24 -0.71 -4.61 114.28 107.50 2ipa n THR 15 Ca -0.01 -0.25 0.05 0.00 -2.27 0.00 0.00 64.05 61.56 2ipa n THR 15 Cb 0.50 0.82 0.23 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.39 0.15 -4.05 3.42 7.64 -0.70 -2.19 113.62 116.48 2ipa n SER 16 Ca 0.01 0.56 -0.08 0.00 1.01 0.00 0.00 58.87 60.37 2ipa n SER 16 Cb 0.19 -0.58 -0.10 0.00 -1.01 0.00 0.00 64.21 62.71 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 -3.11 0.51 2.66 1.43 2.02 -1.26 -3.29 118.70 117.66 2ipa s GLU 17 Ca 0.02 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.00 2ipa s GLU 17 Cb 0.05 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.44 2ipa s GLU 17 CO 0.15 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.75 2ipa n GLY 18 N 0.61 -0.14 3.22 -1.39 0.00 -1.26 -4.57 105.19 101.66 2ipa n GLY 18 Ca -0.17 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 1.91 -0.06 1.61 1.01 -1.26 -1.30 120.40 122.31 2ipa s VAL 19 Ca 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 2ipa s VAL 19 Cb 0.00 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.77 2ipa s VAL 19 CO 0.00 0.53 0.15 -0.69 0.00 0.00 0.00 175.10 175.09 2ipa s VAL 20 N 0.08 -0.02 -0.44 2.92 1.01 -0.09 -2.81 120.40 121.05 2ipa s VAL 20 Ca -0.09 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 2ipa s VAL 20 Cb -0.15 -0.23 0.12 0.00 0.00 0.00 0.00 36.38 36.12 2ipa s VAL 20 CO 0.05 0.03 0.26 -0.22 0.00 0.00 0.00 175.10 175.22 2ipa s LEU 21 N 0.60 5.39 0.12 3.92 2.96 -0.39 -0.88 118.68 130.40 2ipa s LEU 21 Ca -0.04 -2.04 -0.25 0.00 -0.22 0.00 0.00 54.13 51.57 2ipa s LEU 21 Cb -0.06 -1.88 -0.07 0.00 0.50 0.00 0.00 46.19 44.68 2ipa s LEU 21 CO -0.03 -0.58 0.77 0.00 -1.32 0.00 0.00 176.35 175.19 2ipa s ALA 22 N 1.14 3.42 0.09 5.97 0.00 -0.40 -1.19 121.76 130.79 2ipa s ALA 22 Ca 0.08 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.41 2ipa s ALA 22 Cb -0.24 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 2ipa s ALA 22 CO -0.03 0.21 -0.11 0.34 0.00 0.00 0.00 175.76 176.17 2ipa s ASP 23 N -0.76 1.47 -0.08 0.00 2.15 -0.01 -1.04 116.67 118.41 2ipa s ASP 23 Ca 0.37 -0.74 -0.01 0.00 0.43 0.00 0.00 52.55 52.59 2ipa s ASP 23 Cb -0.22 -0.01 0.03 0.00 -0.30 0.00 0.00 42.92 42.42 2ipa s ASP 23 CO 0.25 -0.21 -0.02 -0.36 -0.17 0.00 0.00 175.17 174.66 2ipa s PHE 24 N -2.05 0.89 0.03 -5.34 0.40 -0.11 -0.77 117.98 111.03 2ipa s PHE 24 Ca 0.02 -0.32 -0.05 0.00 -0.60 0.00 0.00 56.93 55.98 2ipa s PHE 24 Cb -0.05 -0.92 -0.01 0.00 0.51 0.00 0.00 43.02 42.55 2ipa s PHE 24 CO 0.01 -0.38 0.08 1.67 0.70 0.00 0.00 175.22 177.30 2ipa s TRP 25 N 1.89 0.22 0.06 0.36 1.48 -0.87 -2.97 118.94 119.11 2ipa s TRP 25 Ca 0.05 -0.52 -0.27 0.00 -1.06 0.00 0.00 56.10 54.30 2ipa s TRP 25 Cb -0.12 -0.16 0.09 0.00 -1.16 0.00 0.00 33.47 32.12 2ipa s TRP 25 CO -0.06 -0.34 0.96 0.00 -4.06 0.00 0.00 176.95 173.45 2ipa s ALA 26 N -2.49 -1.78 0.55 2.67 0.00 -1.26 -0.65 121.76 118.80 2ipa s ALA 26 Ca -0.06 0.61 0.23 0.00 0.00 0.00 0.00 51.96 52.74 2ipa s ALA 26 Cb -0.02 0.49 1.27 0.00 0.00 0.00 0.00 23.12 24.86 2ipa s ALA 26 CO -0.04 -0.87 1.69 -1.35 0.00 0.00 0.00 175.76 175.19 2ipa h PRO 27 N 2.00 0.00 -0.28 0.00 0.11 -1.97 -3.21 132.00 128.65 2ipa h PRO 27 Ca -0.23 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.96 2ipa h PRO 27 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2ipa h PRO 27 CO 0.28 0.00 0.31 -1.49 -0.21 0.00 0.00 178.00 176.89 2ipa h TRP 28 N 0.00 0.00 -4.09 0.65 4.06 -1.96 -3.44 115.95 111.17 2ipa h TRP 28 Ca 0.00 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.79 2ipa h TRP 28 Cb 0.82 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.83 2ipa h TRP 28 CO 0.00 0.00 -0.69 0.00 -3.56 0.00 0.00 178.44 174.19 2ipa h GLY 30 N 3.19 0.11 -0.33 0.00 0.00 -1.91 -3.26 103.07 100.87 2ipa h GLY 30 Ca -0.34 -0.13 0.33 0.00 0.00 0.00 0.00 47.33 47.19 2ipa h GLY 30 CO 0.64 0.11 0.85 -2.55 0.00 0.00 0.00 176.54 175.60 2ipa h PRO 31 N -0.40 0.00 -0.46 4.80 0.11 -1.96 -0.22 132.00 133.87 2ipa h PRO 31 Ca 0.00 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.25 2ipa h PRO 31 Cb 0.61 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 2ipa h PRO 31 CO 0.01 0.00 0.43 0.77 -0.21 0.00 0.00 178.00 179.00 2ipa h SER 32 N 0.00 0.00 -0.42 -2.05 0.02 -1.84 0.19 113.55 109.45 2ipa h SER 32 Ca 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 2ipa h SER 32 Cb 2.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.77 2ipa h SER 32 CO -0.01 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.97 2ipa n LYS 33 N -3.89 2.89 -0.01 3.45 4.01 -0.10 -3.84 118.16 120.68 2ipa n LYS 33 Ca 0.08 -2.25 -0.01 0.00 -0.51 0.00 0.00 58.31 55.62 2ipa n LYS 33 Cb 0.62 -1.39 -0.01 0.00 -0.51 0.00 0.00 35.03 33.75 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 0.67 0.04 -0.02 1.97 2.81 -0.18 -4.52 117.12 117.89 2ipa n MET 34 Ca 0.15 0.01 0.01 0.00 -1.81 0.00 0.00 57.70 56.06 2ipa n MET 34 Cb 0.51 -0.91 0.31 0.00 -0.71 0.00 0.00 33.22 32.43 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 -0.02 1.18 0.76 2.02 6.09 -0.94 -2.51 117.51 124.09 2ipa h ILE 35 Ca -0.04 -0.63 -0.04 0.00 -1.37 0.00 0.00 64.86 62.79 2ipa h ILE 35 Cb 1.05 0.77 0.00 0.00 0.47 0.00 0.00 36.82 39.12 2ipa h ILE 35 CO -0.01 0.23 -0.39 0.00 -3.07 0.00 0.00 178.15 174.90 2ipa h ALA 36 N 1.55 -1.07 -0.29 0.18 0.00 -1.75 0.58 119.26 118.46 2ipa h ALA 36 Ca 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2ipa h ALA 36 Cb 0.21 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2ipa h ALA 36 CO -0.00 -1.11 -0.07 -1.00 0.00 0.00 0.00 179.25 177.07 2ipa h PRO 37 N -1.06 0.46 -1.01 0.00 0.13 -1.79 -2.07 132.00 126.66 2ipa h PRO 37 Ca -0.10 -0.11 0.05 0.00 -0.87 0.00 0.00 66.00 64.97 2ipa h PRO 37 Cb 0.83 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 2ipa h PRO 37 CO 0.15 0.54 0.66 0.28 -0.23 0.00 0.00 178.00 179.39 2ipa h VAL 38 N 0.43 1.14 -0.25 1.56 2.07 -1.20 0.69 116.25 120.69 2ipa h VAL 38 Ca 0.09 -0.42 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 2ipa h VAL 38 Cb 0.39 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2ipa h VAL 38 CO 0.02 0.22 -0.51 -0.07 0.02 0.00 0.00 177.57 177.26 2ipa h LEU 39 N 1.23 0.76 -0.82 2.57 3.38 -0.24 -0.32 115.31 121.87 2ipa h LEU 39 Ca 0.42 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2ipa h LEU 39 Cb 0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2ipa h LEU 39 CO -0.15 1.13 -0.20 -0.33 0.09 0.00 0.00 178.44 178.99 2ipa h GLU 40 N 0.54 0.67 0.00 1.13 5.08 -0.94 -0.39 114.58 120.67 2ipa h GLU 40 Ca 0.02 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2ipa h GLU 40 Cb 1.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2ipa h GLU 40 CO 0.10 0.82 -0.23 0.93 -1.00 0.00 0.00 179.01 179.64 2ipa h GLU 41 N 0.59 0.00 0.03 2.33 4.39 -0.67 -2.42 114.58 118.83 2ipa h GLU 41 Ca 0.09 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.69 2ipa h GLU 41 Cb 0.66 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.32 2ipa h GLU 41 CO 0.05 0.23 -0.43 1.25 -1.16 0.00 0.00 179.01 178.95 2ipa h LEU 42 N 0.00 0.32 -0.62 1.33 5.85 -0.42 -3.27 115.31 118.51 2ipa h LEU 42 Ca -0.00 -0.84 -0.01 0.00 0.84 0.00 0.00 57.88 57.86 2ipa h LEU 42 Cb 0.61 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2ipa h LEU 42 CO 0.03 1.13 0.34 -0.78 -0.34 0.00 0.00 178.44 178.82 2ipa h ASP 43 N -0.44 0.77 0.57 1.25 3.58 -1.01 -0.88 116.42 120.25 2ipa h ASP 43 Ca -0.06 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2ipa h ASP 43 Cb 1.22 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2ipa h ASP 43 CO 0.08 0.65 0.00 0.00 -2.88 0.00 0.00 179.24 177.09 2ipa n GLN 44 N -4.56 0.04 -0.13 0.28 10.64 -0.92 -0.52 117.38 122.22 2ipa n GLN 44 Ca 0.04 0.18 -0.27 0.00 -1.83 0.00 0.00 57.00 55.13 2ipa n GLN 44 Cb 0.09 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 27.86 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 -1.47 0.59 -0.18 2.61 2.13 -0.82 -4.85 120.64 118.67 2ipa n GLU 45 Ca 0.05 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.20 2ipa n GLU 45 Cb 0.20 -1.56 0.01 0.00 0.27 0.00 0.00 31.44 30.35 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 -4.18 0.27 0.17 5.31 0.00 -0.40 -4.74 117.12 113.55 2ipa n MET 46 Ca -0.48 -0.84 0.12 0.00 0.00 0.00 0.00 57.70 56.50 2ipa n MET 46 Cb 0.86 -0.58 0.62 0.00 0.00 0.00 0.00 33.22 34.11 2ipa n MET 46 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2ipa h GLY 47 N 0.00 0.00 1.54 3.17 0.00 -0.86 -1.16 103.07 105.77 2ipa h GLY 47 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2ipa h GLY 47 CO 0.00 0.00 0.18 -1.80 0.00 0.00 0.00 176.54 174.92 2ipa h ASP 48 N 0.00 0.00 0.00 0.19 3.58 -1.85 -0.03 116.42 118.31 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 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2ipa h ASP 48 CO 0.00 0.00 -0.18 0.29 -2.88 0.00 0.00 179.24 176.47 2ipa n LYS 49 N -3.79 5.76 -4.39 0.28 4.01 -0.46 -4.97 118.16 114.60 2ipa n LYS 49 Ca 0.01 -0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.61 2ipa n LYS 49 Cb 0.30 -0.66 -0.15 0.00 -0.51 0.00 0.00 35.03 34.01 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 -2.19 1.78 0.04 -0.35 2.96 -1.10 -4.72 118.68 115.11 2ipa s LEU 50 Ca 0.01 -0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 2ipa s LEU 50 Cb 0.02 -0.55 -0.05 0.00 0.50 0.00 0.00 46.19 46.11 2ipa s LEU 50 CO 0.12 0.06 0.34 -0.75 -1.32 0.00 0.00 176.35 174.80 2ipa s LYS 51 N 0.21 3.68 0.02 1.98 2.20 -1.12 -0.72 119.74 125.98 2ipa s LYS 51 Ca -0.03 0.07 0.08 0.00 -0.36 0.00 0.00 55.97 55.73 2ipa s LYS 51 Cb -0.09 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 2ipa s LYS 51 CO 0.01 0.61 -0.25 0.42 -0.36 0.00 0.00 175.35 175.77 2ipa s ILE 52 N -1.33 2.00 0.02 5.43 1.01 -1.23 -1.26 121.20 125.84 2ipa s ILE 52 Ca 0.30 -1.22 0.01 0.00 0.00 0.00 0.00 60.65 59.73 2ipa s ILE 52 Cb -0.14 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 2ipa s ILE 52 CO 0.17 0.43 -0.04 -0.69 0.00 0.00 0.00 174.94 174.81 2ipa s VAL 53 N -0.70 0.23 0.07 2.92 1.01 -0.34 -0.93 120.40 122.67 2ipa s VAL 53 Ca 0.10 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.42 2ipa s VAL 53 Cb -0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2ipa s VAL 53 CO 0.01 -0.33 -0.18 -0.54 0.00 0.00 0.00 175.10 174.06 2ipa s LYS 54 N -1.12 1.07 -0.19 2.72 1.02 -0.42 -0.83 119.74 121.99 2ipa s LYS 54 Ca -0.10 -1.00 -0.01 0.00 0.02 0.00 0.00 55.97 54.88 2ipa s LYS 54 Cb -0.08 -1.20 0.00 0.00 -0.52 0.00 0.00 37.83 36.04 2ipa s LYS 54 CO -0.00 0.29 -0.13 0.42 -0.92 0.00 0.00 175.35 175.01 2ipa s ILE 55 N -1.06 2.73 -0.39 2.17 -1.09 0.05 -0.98 121.20 122.63 2ipa s ILE 55 Ca 0.04 -0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 57.45 2ipa s ILE 55 Cb -0.09 -2.19 0.01 0.00 -1.58 0.00 0.00 42.46 38.60 2ipa s ILE 55 CO 0.03 0.49 1.42 -0.62 -1.23 0.00 0.00 174.94 175.03 2ipa s ASP 56 N 1.26 6.36 -0.30 3.58 -1.08 -1.26 -2.05 116.67 123.18 2ipa s ASP 56 Ca 0.03 0.93 -0.04 0.00 -0.52 0.00 0.00 52.55 52.95 2ipa s ASP 56 Cb -0.14 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.77 2ipa s ASP 56 CO -0.06 -1.39 2.89 1.33 0.52 0.00 0.00 175.17 178.46 2ipa n VAL 57 N 6.95 3.13 0.00 1.11 0.24 0.18 -0.81 118.33 129.13 2ipa n VAL 57 Ca 0.17 -2.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.10 2ipa n VAL 57 Cb 0.48 -1.67 0.00 0.00 -1.47 0.00 0.00 33.84 31.17 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 1.27 0.00 0.04 -1.34 2.03 -1.26 -4.76 116.55 112.53 2ipa n ASP 58 Ca 0.44 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.55 2ipa n ASP 58 Cb 0.65 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.95 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 0.66 0.00 -0.67 4.81 -1.94 -3.39 114.58 114.06 2ipa h GLU 59 Ca 0.00 -0.72 -0.05 0.00 -0.13 0.00 0.00 59.36 58.46 2ipa h GLU 59 Cb 0.00 0.21 -0.10 0.00 0.63 0.00 0.00 28.75 29.49 2ipa h GLU 59 CO 0.00 1.31 -0.51 0.09 -0.73 0.00 0.00 179.01 179.16 2ipa n ASN 60 N -3.90 1.18 0.00 1.04 3.02 0.01 -4.87 115.26 111.74 2ipa n ASN 60 Ca -0.11 -2.66 0.04 0.00 -0.03 0.00 0.00 54.58 51.81 2ipa n ASN 60 Cb 0.86 -0.35 0.21 0.00 -0.61 0.00 0.00 39.78 39.89 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 -0.46 0.13 -0.22 3.52 10.64 -1.16 -3.34 117.38 126.49 2ipa n GLN 61 Ca 0.09 0.19 -0.03 0.00 -1.83 0.00 0.00 57.00 55.42 2ipa n GLN 61 Cb 0.80 -1.50 0.08 0.00 -0.86 0.00 0.00 30.24 28.75 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 0.66 -0.87 2.61 5.08 -1.91 -0.47 114.58 119.68 2ipa h GLU 62 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2ipa h GLU 62 Cb 0.07 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2ipa h GLU 62 CO 0.00 0.44 0.54 1.15 -1.00 0.00 0.00 179.01 180.14 2ipa h THR 63 N 0.68 1.24 0.28 1.13 2.02 -1.83 -0.43 112.91 115.99 2ipa h THR 63 Ca 0.27 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2ipa h THR 63 Cb 0.12 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 2ipa h THR 63 CO -0.15 0.24 -0.13 0.00 0.37 0.00 0.00 175.52 175.84 2ipa h ALA 64 N 1.29 -0.38 -0.94 6.16 0.00 -1.60 -1.76 119.26 122.04 2ipa h ALA 64 Ca 0.31 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2ipa h ALA 64 Cb -0.08 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2ipa h ALA 64 CO -0.06 -0.59 0.61 0.78 0.00 0.00 0.00 179.25 180.00 2ipa h GLY 65 N -0.63 1.37 0.92 0.00 0.00 -0.96 0.87 103.07 104.65 2ipa h GLY 65 Ca -0.04 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.83 2ipa h GLY 65 CO 0.06 0.41 0.13 1.70 0.00 0.00 0.00 176.54 178.84 2ipa h LYS 66 N 1.20 0.26 0.00 4.80 3.64 -1.00 -2.38 116.57 123.08 2ipa h LYS 66 Ca 0.37 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 2ipa h LYS 66 Cb -0.01 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2ipa h LYS 66 CO -0.12 0.17 -0.16 -0.92 -2.27 0.00 0.00 179.45 176.15 2ipa h TYR 67 N 0.27 0.00 0.00 1.91 5.03 -0.72 -3.47 116.97 119.99 2ipa h TYR 67 Ca 0.09 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.40 2ipa h TYR 67 Cb 0.01 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.29 2ipa h TYR 67 CO -0.09 0.16 0.00 0.41 -1.32 0.00 0.00 178.16 177.32 2ipa n GLY 68 N 0.33 0.86 3.77 1.82 0.00 -0.08 -5.09 105.19 106.80 2ipa n GLY 68 Ca 0.01 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 3.71 0.00 1.61 1.01 0.10 -4.96 120.40 119.88 2ipa s VAL 69 Ca 0.00 1.57 0.02 0.00 0.00 0.00 0.00 61.98 63.58 2ipa s VAL 69 Cb 0.00 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2ipa s VAL 69 CO 0.00 0.26 0.79 1.15 0.00 0.00 0.00 175.10 177.30 2ipa n MET 70 N 0.81 0.00 -3.73 2.72 0.00 -1.26 -3.51 117.12 112.15 2ipa n MET 70 Ca 0.01 -0.64 -0.11 0.00 0.00 0.00 0.00 57.70 56.95 2ipa n MET 70 Cb 0.47 -0.10 -0.07 0.00 0.00 0.00 0.00 33.22 33.52 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 -0.64 -0.14 -0.02 3.17 1.04 -1.26 -5.16 113.70 110.69 2ipa s SER 71 Ca 0.03 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.27 2ipa s SER 71 Cb 0.04 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 2ipa s SER 71 CO -0.02 -0.67 -0.12 -0.63 0.98 0.00 0.00 173.24 172.78 2ipa s ILE 72 N -2.87 0.98 0.84 -1.02 -1.09 -1.26 -3.72 121.20 113.05 2ipa s ILE 72 Ca -0.03 -0.51 -0.11 0.00 -2.23 0.00 0.00 60.65 57.77 2ipa s ILE 72 Cb 0.00 -0.83 0.09 0.00 -1.58 0.00 0.00 42.46 40.14 2ipa s ILE 72 CO -0.05 0.28 1.09 -2.16 -1.23 0.00 0.00 174.94 172.87 2ipa s PRO 73 N -0.16 1.75 0.06 2.79 0.04 -1.26 -4.78 135.00 133.43 2ipa s PRO 73 Ca 0.02 0.99 0.04 0.00 0.04 0.00 0.00 61.00 62.09 2ipa s PRO 73 Cb -0.06 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2ipa s PRO 73 CO -0.00 -1.95 -0.11 0.99 0.04 0.00 0.00 177.00 175.97 2ipa s THR 74 N -2.92 0.87 -0.07 1.26 2.01 -1.16 -2.55 115.64 113.08 2ipa s THR 74 Ca 0.62 -1.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 2ipa s THR 74 Cb -0.18 -0.89 0.04 0.00 0.01 0.00 0.00 72.50 71.49 2ipa s THR 74 CO 0.56 -0.30 0.14 -0.76 -0.69 0.00 0.00 174.62 173.58 2ipa s LEU 75 N -1.69 0.57 -0.19 4.42 1.43 0.28 -0.94 118.68 122.56 2ipa s LEU 75 Ca -0.05 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 2ipa s LEU 75 Cb -0.10 0.30 0.04 0.00 0.03 0.00 0.00 46.19 46.46 2ipa s LEU 75 CO 0.01 -0.17 -0.11 -0.76 0.23 0.00 0.00 176.35 175.55 2ipa s LEU 76 N 1.42 2.24 -0.18 1.79 1.43 -0.21 -1.05 118.68 124.12 2ipa s LEU 76 Ca -0.06 -0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 52.01 2ipa s LEU 76 Cb -0.12 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 2ipa s LEU 76 CO -0.06 -0.13 0.47 -0.69 0.23 0.00 0.00 176.35 176.17 2ipa s VAL 77 N 1.40 5.16 0.17 -1.59 1.01 -0.14 -1.27 120.40 125.14 2ipa s VAL 77 Ca -0.01 0.87 0.09 0.00 0.00 0.00 0.00 61.98 62.94 2ipa s VAL 77 Cb -0.16 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2ipa s VAL 77 CO -0.09 0.24 -0.20 -0.76 0.00 0.00 0.00 175.10 174.30 2ipa s LEU 78 N 1.24 2.44 -0.03 3.92 1.02 -0.05 -0.86 118.68 126.35 2ipa s LEU 78 Ca 0.23 -0.87 -0.06 0.00 0.02 0.00 0.00 54.13 53.45 2ipa s LEU 78 Cb -0.15 -0.91 0.01 0.00 0.02 0.00 0.00 46.19 45.16 2ipa s LEU 78 CO 0.09 0.00 0.14 -1.59 0.02 0.00 0.00 176.35 175.01 2ipa s LYS 79 N -2.78 0.31 -1.20 1.70 -2.85 -0.44 -0.91 119.74 113.57 2ipa s LYS 79 Ca 0.17 -0.07 -0.12 0.00 -1.00 0.00 0.00 55.97 54.94 2ipa s LYS 79 Cb -0.06 0.14 0.12 0.00 -2.06 0.00 0.00 37.83 35.96 2ipa s LYS 79 CO 0.08 -0.06 0.42 -3.47 0.10 0.00 0.00 175.35 172.41 2ipa n ASP 80 N 2.30 -2.39 0.00 0.03 2.03 -0.42 -1.60 116.55 116.50 2ipa n ASP 80 Ca -0.17 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.65 2ipa n ASP 80 Cb 0.57 -2.05 0.00 0.00 -0.72 0.00 0.00 41.12 38.92 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 -0.98 0.68 3.00 0.27 0.00 -0.93 -4.78 105.19 102.45 2ipa n GLY 81 Ca 0.04 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.83 0.38 0.39 1.61 -1.05 -0.63 -4.92 118.70 113.64 2ipa s GLU 82 Ca 0.00 -0.65 -0.26 0.00 -0.15 0.00 0.00 54.97 53.92 2ipa s GLU 82 Cb 0.00 -0.03 -0.09 0.00 -0.44 0.00 0.00 34.13 33.58 2ipa s GLU 82 CO 0.00 -0.02 1.19 0.08 0.95 0.00 0.00 175.26 177.47 2ipa s VAL 83 N -1.40 3.07 0.00 1.83 1.01 -1.26 -1.32 120.40 122.32 2ipa s VAL 83 Ca -0.14 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.77 2ipa s VAL 83 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2ipa s VAL 83 CO -0.01 0.11 0.00 1.33 0.00 0.00 0.00 175.10 176.54 2ipa n VAL 84 N 0.22 0.00 -3.84 2.92 0.24 -0.04 -4.91 118.33 112.92 2ipa n VAL 84 Ca 0.03 -0.02 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 2ipa n VAL 84 Cb 0.46 0.29 -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 -0.72 0.76 -0.02 7.34 0.41 -1.17 -5.02 118.70 120.27 2ipa s GLU 85 Ca 0.00 -0.75 -0.03 0.00 -0.41 0.00 0.00 54.97 53.78 2ipa s GLU 85 Cb 0.00 0.31 0.00 0.00 -1.78 0.00 0.00 34.13 32.66 2ipa s GLU 85 CO 0.00 -0.23 0.08 0.99 -0.49 0.00 0.00 175.26 175.61 2ipa s THR 86 N -3.06 0.04 -0.14 3.63 2.01 -1.26 -0.97 115.64 115.89 2ipa s THR 86 Ca -0.01 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 61.56 2ipa s THR 86 Cb 0.01 -0.22 0.04 0.00 0.01 0.00 0.00 72.50 72.34 2ipa s THR 86 CO -0.07 -0.17 0.37 -0.44 -0.69 0.00 0.00 174.62 173.63 2ipa s SER 87 N -0.51 -0.39 -0.30 3.53 0.01 -0.22 -5.01 113.70 110.81 2ipa s SER 87 Ca -0.06 0.75 0.18 0.00 1.31 0.00 0.00 55.95 58.13 2ipa s SER 87 Cb -0.04 0.76 0.48 0.00 0.21 0.00 0.00 66.02 67.43 2ipa s SER 87 CO 0.00 -0.13 1.05 0.52 0.41 0.00 0.00 173.24 175.09 2ipa n VAL 88 N 2.90 1.34 -3.59 3.43 0.31 -1.26 -0.56 118.33 120.91 2ipa n VAL 88 Ca -0.13 -3.25 -0.06 0.00 -0.01 0.00 0.00 64.34 60.89 2ipa n VAL 88 Cb 0.57 0.62 -0.03 0.00 -0.91 0.00 0.00 33.84 34.10 2ipa n VAL 88 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2ipa s GLY 89 N -3.48 -0.23 0.57 2.92 0.00 -1.06 -4.81 107.32 101.23 2ipa s GLY 89 Ca 0.31 1.86 -0.21 0.00 0.00 0.00 0.00 44.72 46.68 2ipa s GLY 89 CO -0.01 0.72 1.30 -0.12 0.00 0.00 0.00 173.10 174.99 2ipa s PHE 90 N -1.96 2.30 0.00 1.90 5.36 -1.26 -4.81 117.98 119.51 2ipa s PHE 90 Ca 0.06 1.44 0.01 0.00 -0.96 0.00 0.00 56.93 57.48 2ipa s PHE 90 Cb -0.01 -3.69 -0.01 0.00 -0.34 0.00 0.00 43.02 38.98 2ipa s PHE 90 CO -0.04 -2.68 -0.03 0.15 -1.46 0.00 0.00 175.22 171.16 2ipa s LYS 91 N -3.06 0.22 0.95 10.12 3.01 -1.26 -5.11 119.74 124.61 2ipa s LYS 91 Ca 0.74 -0.19 -0.12 0.00 -1.01 0.00 0.00 55.97 55.39 2ipa s LYS 91 Cb -0.37 -0.15 0.16 0.00 -1.01 0.00 0.00 37.83 36.46 2ipa s LYS 91 CO 0.42 0.04 1.09 -1.25 0.51 0.00 0.00 175.35 176.16 2ipa s PRO 92 N -0.33 0.79 0.17 -1.68 0.04 -1.26 -4.73 135.00 128.00 2ipa s PRO 92 Ca -0.02 0.70 -0.18 0.00 0.04 0.00 0.00 61.00 61.54 2ipa s PRO 92 Cb -0.03 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 32.86 2ipa s PRO 92 CO -0.00 -2.53 1.64 -0.22 0.04 0.00 0.00 177.00 175.92 2ipa h LYS 93 N -1.76 -0.09 -0.67 4.56 1.63 -1.97 -0.07 116.57 118.20 2ipa h LYS 93 Ca -0.52 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.21 2ipa h LYS 93 Cb 1.31 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.93 2ipa h LYS 93 CO 0.55 -0.06 0.11 0.93 -3.45 0.00 0.00 179.45 177.53 2ipa h GLU 94 N -0.09 1.11 -0.32 1.90 5.08 -1.98 0.04 114.58 120.32 2ipa h GLU 94 Ca 0.20 -0.30 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 2ipa h GLU 94 Cb 0.40 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2ipa h GLU 94 CO -0.48 1.01 -0.42 0.00 -1.00 0.00 0.00 179.01 178.13 2ipa h ALA 95 N 1.07 0.67 -0.44 3.43 0.00 -1.80 -1.76 119.26 120.42 2ipa h ALA 95 Ca 0.21 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 2ipa h ALA 95 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ipa h ALA 95 CO 0.01 0.67 -0.28 1.25 0.00 0.00 0.00 179.25 180.90 2ipa h LEU 96 N 0.63 1.01 -0.76 0.00 5.85 -0.66 -0.64 115.31 120.74 2ipa h LEU 96 Ca 0.05 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 2ipa h LEU 96 Cb 0.98 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 2ipa h LEU 96 CO 0.09 1.21 0.22 0.06 -0.34 0.00 0.00 178.44 179.68 2ipa h GLN 97 N 0.82 1.15 -0.48 1.25 3.07 -0.93 -2.62 115.11 117.36 2ipa h GLN 97 Ca 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 58.65 58.57 2ipa h GLN 97 Cb 0.87 -0.16 -0.02 0.00 0.08 0.00 0.00 27.48 28.24 2ipa h GLN 97 CO 0.08 0.99 0.26 1.49 0.09 0.00 0.00 178.83 181.74 2ipa h GLU 98 N 1.10 0.68 -0.76 0.06 4.81 -1.12 0.03 114.58 119.39 2ipa h GLU 98 Ca 0.24 -0.08 0.10 0.00 -0.13 0.00 0.00 59.36 59.49 2ipa h GLU 98 Cb 0.33 -0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.50 2ipa h GLU 98 CO -0.00 0.54 0.39 1.25 -0.73 0.00 0.00 179.01 180.45 2ipa h LEU 99 N 0.64 0.51 0.11 1.64 5.85 -0.75 -1.45 115.31 121.86 2ipa h LEU 99 Ca 0.17 0.07 -0.30 0.00 0.84 0.00 0.00 57.88 58.66 2ipa h LEU 99 Cb 0.06 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2ipa h LEU 99 CO -0.03 0.27 -1.50 1.62 -0.34 0.00 0.00 178.44 178.47 2ipa h VAL 100 N 0.64 1.19 -0.14 1.05 3.04 -1.42 -3.33 116.25 117.27 2ipa h VAL 100 Ca 0.38 -2.84 0.04 0.00 -1.01 0.00 0.00 66.70 63.28 2ipa h VAL 100 Cb 0.42 2.76 -0.01 0.00 -2.01 0.00 0.00 31.29 32.46 2ipa h VAL 100 CO -0.29 0.82 0.13 -1.13 -1.01 0.00 0.00 177.57 176.09 2ipa h ASN 101 N 0.06 0.00 -0.40 3.17 -1.24 -0.31 0.17 115.58 117.04 2ipa h ASN 101 Ca -0.23 0.00 0.12 0.00 0.71 0.00 0.00 56.30 56.90 2ipa h ASN 101 Cb 2.00 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 41.04 2ipa h ASN 101 CO 0.16 0.00 0.35 0.11 -1.29 0.00 0.00 177.43 176.76 2ipa h LYS 102 N 0.00 0.00 0.00 6.67 1.57 -1.40 -3.30 116.57 120.11 2ipa h LYS 102 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2ipa h LYS 102 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2ipa h LYS 102 CO -0.00 0.00 -0.56 0.72 -0.57 0.00 0.00 179.45 179.04 2ipa n HIS 103 N -4.02 0.00 0.00 -1.35 8.25 -0.24 -5.15 115.22 112.70 2ipa n HIS 103 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2ipa n HIS 103 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87