#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 -0.60 -0.69 -5.12 0.00 -1.26 -5.00 121.76 109.09 2ipa s ALA 2 Ca 0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 51.96 51.07 2ipa s ALA 2 Cb 0.00 0.98 0.05 0.00 0.00 0.00 0.00 23.12 24.14 2ipa s ALA 2 CO 0.00 -0.90 1.13 0.42 0.00 0.00 0.00 175.76 176.42 2ipa s ILE 3 N -3.97 4.00 0.77 0.00 1.09 -1.26 -3.29 121.20 118.55 2ipa s ILE 3 Ca 0.17 0.11 -0.12 0.00 -1.10 0.00 0.00 60.65 59.72 2ipa s ILE 3 Cb -0.02 -4.80 0.06 0.00 -1.06 0.00 0.00 42.46 36.63 2ipa s ILE 3 CO 0.07 -1.65 1.14 -0.69 -0.10 0.00 0.00 174.94 173.71 2ipa s VAL 4 N 4.96 2.70 -0.23 2.92 1.01 0.14 -4.90 120.40 127.00 2ipa s VAL 4 Ca 0.30 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.53 2ipa s VAL 4 Cb -0.12 -3.19 0.05 0.00 0.00 0.00 0.00 36.38 33.12 2ipa s VAL 4 CO 0.14 -0.30 -0.12 -0.75 0.00 0.00 0.00 175.10 174.07 2ipa s LYS 5 N -5.43 2.28 0.86 2.72 2.47 -1.26 -0.62 119.74 120.76 2ipa s LYS 5 Ca 0.60 -1.15 -0.13 0.00 -1.56 0.00 0.00 55.97 53.73 2ipa s LYS 5 Cb -0.12 -2.74 0.12 0.00 -1.46 0.00 0.00 37.83 33.63 2ipa s LYS 5 CO 0.51 -0.49 1.22 0.00 0.16 0.00 0.00 175.35 176.75 2ipa s ALA 6 N 1.20 2.53 0.30 3.13 0.00 -0.05 -4.91 121.76 123.96 2ipa s ALA 6 Ca -0.05 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 2ipa s ALA 6 Cb -0.18 -2.90 0.04 0.00 0.00 0.00 0.00 23.12 20.07 2ipa s ALA 6 CO -0.07 -1.91 0.56 -2.37 0.00 0.00 0.00 175.76 171.96 2ipa n THR 7 N -3.46 0.00 -0.34 0.00 5.66 -1.26 -4.79 114.28 110.10 2ipa n THR 7 Ca 0.10 -0.97 0.32 0.00 -3.05 0.00 0.00 64.05 60.45 2ipa n THR 7 Cb 0.60 0.81 0.57 0.00 -1.55 0.00 0.00 70.33 70.76 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 -1.51 0.29 0.00 1.09 2.03 -1.26 -1.20 116.55 115.99 2ipa n ASP 8 Ca -0.05 1.46 0.00 0.00 0.52 0.00 0.00 54.79 56.72 2ipa n ASP 8 Cb 0.47 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 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 -4.93 2.06 0.31 -0.67 6.02 -1.26 -4.55 117.38 114.36 2ipa n GLN 9 Ca 0.36 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.54 2ipa n GLN 9 Cb 1.27 -0.80 1.04 0.00 1.02 0.00 0.00 30.24 32.78 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 -0.51 1.08 0.02 -1.92 -1.86 113.55 110.36 2ipa h SER 10 Ca 0.00 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 2ipa h SER 10 Cb 0.59 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.03 2ipa h SER 10 CO 0.00 0.01 -0.20 0.15 -1.14 0.00 0.00 176.83 175.66 2ipa h PHE 11 N 0.00 -0.48 -0.33 3.45 3.57 -1.44 0.53 116.94 122.25 2ipa h PHE 11 Ca -0.00 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2ipa h PHE 11 Cb 0.10 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2ipa h PHE 11 CO 0.00 -0.28 0.07 0.77 -2.23 0.00 0.00 178.31 176.63 2ipa h SER 12 N -0.08 0.51 -0.67 0.41 0.02 -1.62 -2.65 113.55 109.47 2ipa h SER 12 Ca 0.24 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2ipa h SER 12 Cb 0.45 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 2ipa h SER 12 CO -0.56 0.62 0.32 0.00 -1.14 0.00 0.00 176.83 176.07 2ipa h ALA 13 N 0.91 1.25 0.00 3.77 0.00 -1.34 -0.79 119.26 123.05 2ipa h ALA 13 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ipa h ALA 13 Cb 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ipa h ALA 13 CO 0.00 0.57 0.00 0.93 0.00 0.00 0.00 179.25 180.75 2ipa h GLU 14 N 0.99 0.00 -0.00 0.00 4.39 -0.79 -3.29 114.58 115.87 2ipa h GLU 14 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2ipa h GLU 14 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2ipa h GLU 14 CO -0.03 0.00 -0.06 0.25 -1.16 0.00 0.00 179.01 178.01 2ipa n THR 15 N -2.47 0.00 0.60 1.13 -2.24 -0.56 -4.69 114.28 106.05 2ipa n THR 15 Ca 0.03 -0.47 0.09 0.00 -2.27 0.00 0.00 64.05 61.44 2ipa n THR 15 Cb 0.34 1.08 0.41 0.00 -2.10 0.00 0.00 70.33 70.05 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 -0.10 0.13 -3.89 3.42 7.64 -0.41 -2.21 113.62 118.19 2ipa n SER 16 Ca 0.02 0.53 -0.11 0.00 1.01 0.00 0.00 58.87 60.32 2ipa n SER 16 Cb 0.11 -0.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.64 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 0.21 0.89 1.43 2.02 -1.26 -3.10 118.70 115.84 2ipa s GLU 17 Ca 0.08 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.88 2ipa s GLU 17 Cb 0.12 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.43 2ipa s GLU 17 CO 0.35 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.01 2ipa n GLY 18 N 2.37 -1.74 3.72 -1.39 0.00 -1.26 -4.67 105.19 102.22 2ipa n GLY 18 Ca -0.17 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.84 5.14 -0.09 1.61 1.01 -1.26 -0.84 120.40 125.14 2ipa s VAL 19 Ca 0.00 1.13 -0.03 0.00 0.00 0.00 0.00 61.98 63.08 2ipa s VAL 19 Cb 0.00 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.53 2ipa s VAL 19 CO 0.00 0.30 0.08 -0.69 0.00 0.00 0.00 175.10 174.78 2ipa s VAL 20 N 0.71 -0.11 0.20 2.92 1.01 0.07 -2.78 120.40 122.43 2ipa s VAL 20 Ca 0.30 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 2ipa s VAL 20 Cb -0.16 -0.30 -0.08 0.00 0.00 0.00 0.00 36.38 35.84 2ipa s VAL 20 CO 0.13 0.03 0.97 -0.22 0.00 0.00 0.00 175.10 176.01 2ipa s LEU 21 N 2.17 4.59 -0.16 3.92 2.96 -0.27 -1.39 118.68 130.50 2ipa s LEU 21 Ca 0.04 1.94 -0.01 0.00 -0.22 0.00 0.00 54.13 55.88 2ipa s LEU 21 Cb -0.13 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 42.99 2ipa s LEU 21 CO -0.05 0.05 -0.03 0.00 -1.32 0.00 0.00 176.35 175.00 2ipa s ALA 22 N -0.79 1.27 0.06 5.97 0.00 0.18 -0.85 121.76 127.60 2ipa s ALA 22 Ca 0.43 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.76 2ipa s ALA 22 Cb -0.26 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 2ipa s ALA 22 CO 0.32 -0.80 -0.08 0.34 0.00 0.00 0.00 175.76 175.54 2ipa s ASP 23 N 1.73 4.51 -0.23 0.00 2.15 -0.17 -0.97 116.67 123.69 2ipa s ASP 23 Ca 0.01 -0.28 -0.00 0.00 0.43 0.00 0.00 52.55 52.71 2ipa s ASP 23 Cb -0.15 -0.95 0.06 0.00 -0.30 0.00 0.00 42.92 41.59 2ipa s ASP 23 CO -0.07 0.22 -0.01 -0.36 -0.17 0.00 0.00 175.17 174.77 2ipa s PHE 24 N -1.13 1.99 0.11 -5.34 0.40 0.26 -0.76 117.98 113.51 2ipa s PHE 24 Ca 0.20 -1.53 0.06 0.00 -0.60 0.00 0.00 56.93 55.06 2ipa s PHE 24 Cb -0.11 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 2ipa s PHE 24 CO 0.12 -0.74 -0.14 1.67 0.70 0.00 0.00 175.22 176.82 2ipa s TRP 25 N 1.53 1.35 -0.06 0.36 1.48 -0.77 -2.52 118.94 120.31 2ipa s TRP 25 Ca -0.03 -0.53 -0.31 0.00 -1.06 0.00 0.00 56.10 54.17 2ipa s TRP 25 Cb -0.18 -0.72 0.11 0.00 -1.16 0.00 0.00 33.47 31.52 2ipa s TRP 25 CO -0.08 0.12 1.07 0.00 -4.06 0.00 0.00 176.95 173.99 2ipa s ALA 26 N -1.86 -1.95 0.64 2.67 0.00 -1.26 -0.78 121.76 119.21 2ipa s ALA 26 Ca 0.06 1.11 0.30 0.00 0.00 0.00 0.00 51.96 53.43 2ipa s ALA 26 Cb -0.06 0.23 1.63 0.00 0.00 0.00 0.00 23.12 24.92 2ipa s ALA 26 CO 0.03 -0.73 1.92 -1.35 0.00 0.00 0.00 175.76 175.62 2ipa h PRO 27 N 2.00 0.00 -0.65 0.00 0.11 -1.95 -3.15 132.00 128.36 2ipa h PRO 27 Ca -0.18 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.11 2ipa h PRO 27 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2ipa h PRO 27 CO 0.27 0.00 0.46 -1.49 -0.21 0.00 0.00 178.00 177.03 2ipa h TRP 28 N 0.00 0.05 -3.49 0.65 4.06 -1.96 -3.45 115.95 111.82 2ipa h TRP 28 Ca 0.00 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.64 2ipa h TRP 28 Cb 0.63 -0.02 -0.15 0.00 -1.00 0.00 0.00 29.16 28.63 2ipa h TRP 28 CO 0.00 0.02 -0.70 0.00 -3.56 0.00 0.00 178.44 174.20 2ipa h GLY 30 N 2.76 0.12 0.27 0.00 0.00 -1.90 -3.22 103.07 101.10 2ipa h GLY 30 Ca -0.37 -0.10 0.22 0.00 0.00 0.00 0.00 47.33 47.08 2ipa h GLY 30 CO 0.64 0.09 0.65 -2.55 0.00 0.00 0.00 176.54 175.37 2ipa h PRO 31 N -0.25 0.00 -0.00 4.80 0.11 -1.96 -0.09 132.00 134.61 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 0.43 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 2ipa h PRO 31 CO 0.01 0.00 0.06 0.77 -0.21 0.00 0.00 178.00 178.62 2ipa h SER 32 N 0.00 0.00 -0.29 -2.05 0.02 -1.83 0.29 113.55 109.70 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 1.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.20 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 -3.09 2.86 0.00 3.45 4.01 -0.05 -3.97 118.16 121.37 2ipa n LYS 33 Ca -0.03 -2.31 0.00 0.00 -0.51 0.00 0.00 58.31 55.46 2ipa n LYS 33 Cb 0.13 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.18 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 0.04 0.00 -0.04 1.97 2.81 -0.12 -4.53 117.12 117.25 2ipa n MET 34 Ca 0.14 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 56.06 2ipa n MET 34 Cb 0.59 -0.60 0.36 0.00 -0.71 0.00 0.00 33.22 32.85 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 1.14 0.80 2.02 6.09 -0.77 -1.87 117.51 124.92 2ipa h ILE 35 Ca 0.00 -0.37 -0.04 0.00 -1.37 0.00 0.00 64.86 63.09 2ipa h ILE 35 Cb 0.81 0.54 -0.00 0.00 0.47 0.00 0.00 36.82 38.64 2ipa h ILE 35 CO 0.00 0.16 -0.49 0.00 -3.07 0.00 0.00 178.15 174.74 2ipa h ALA 36 N 1.65 -1.28 -0.99 0.18 0.00 -1.72 0.43 119.26 117.53 2ipa h ALA 36 Ca 0.16 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2ipa h ALA 36 Cb 0.03 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2ipa h ALA 36 CO -0.03 -1.23 0.66 -1.00 0.00 0.00 0.00 179.25 177.65 2ipa h PRO 37 N -1.21 1.29 -0.95 0.00 0.13 -1.78 -2.21 132.00 127.26 2ipa h PRO 37 Ca -0.11 -0.08 0.09 0.00 -0.87 0.00 0.00 66.00 65.03 2ipa h PRO 37 Cb 0.97 -0.29 -0.07 0.00 0.13 0.00 0.00 31.00 31.74 2ipa h PRO 37 CO 0.11 0.85 0.61 0.28 -0.23 0.00 0.00 178.00 179.62 2ipa h VAL 38 N 1.33 1.01 -0.21 1.56 2.07 -1.06 0.61 116.25 121.55 2ipa h VAL 38 Ca 0.37 -0.35 -0.21 0.00 0.82 0.00 0.00 66.70 67.34 2ipa h VAL 38 Cb -0.12 -0.09 0.01 0.00 -1.52 0.00 0.00 31.29 29.57 2ipa h VAL 38 CO -0.09 0.19 -0.68 -0.07 0.02 0.00 0.00 177.57 176.93 2ipa h LEU 39 N 1.02 0.95 -1.09 2.57 4.07 -0.31 0.11 115.31 122.62 2ipa h LEU 39 Ca 0.43 -0.57 -0.08 0.00 0.08 0.00 0.00 57.88 57.74 2ipa h LEU 39 Cb 0.32 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 2ipa h LEU 39 CO -0.19 1.37 -0.22 -0.33 -1.08 0.00 0.00 178.44 178.00 2ipa h GLU 40 N 0.59 0.38 0.00 1.13 5.08 -1.00 0.16 114.58 120.92 2ipa h GLU 40 Ca -0.02 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2ipa h GLU 40 Cb 1.30 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2ipa h GLU 40 CO 0.14 0.58 -0.11 0.93 -1.00 0.00 0.00 179.01 179.55 2ipa h GLU 41 N 0.34 0.00 0.12 2.33 4.39 -0.73 -2.79 114.58 118.24 2ipa h GLU 41 Ca 0.06 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.55 2ipa h GLU 41 Cb 0.58 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2ipa h GLU 41 CO 0.04 0.11 -0.95 1.25 -1.16 0.00 0.00 179.01 178.30 2ipa h LEU 42 N 0.00 0.41 -0.81 1.33 5.85 0.04 -3.36 115.31 118.77 2ipa h LEU 42 Ca -0.00 -0.92 -0.13 0.00 0.84 0.00 0.00 57.88 57.68 2ipa h LEU 42 Cb 0.79 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2ipa h LEU 42 CO 0.01 1.44 -0.51 -0.78 -0.34 0.00 0.00 178.44 178.27 2ipa h ASP 43 N -0.40 0.24 0.25 1.25 3.58 -0.67 0.16 116.42 120.82 2ipa h ASP 43 Ca -0.19 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2ipa h ASP 43 Cb 1.64 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.62 2ipa h ASP 43 CO 0.11 0.71 0.00 0.00 -2.88 0.00 0.00 179.24 177.18 2ipa n GLN 44 N -3.95 0.11 -0.06 0.28 10.64 -1.06 -0.20 117.38 123.14 2ipa n GLN 44 Ca -0.02 0.22 -0.12 0.00 -1.83 0.00 0.00 57.00 55.25 2ipa n GLN 44 Cb 0.55 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.38 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 -1.34 0.28 -0.00 2.61 4.07 -0.31 -4.79 120.64 121.16 2ipa n GLU 45 Ca 0.04 0.10 0.08 0.00 -0.06 0.00 0.00 57.16 57.33 2ipa n GLU 45 Cb 0.10 -1.05 -0.11 0.00 -0.06 0.00 0.00 31.44 30.32 2ipa n GLU 45 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2ipa n MET 46 N -3.33 1.21 0.00 5.31 0.00 0.40 -4.54 117.12 116.17 2ipa n MET 46 Ca -0.24 -0.04 0.01 0.00 0.00 0.00 0.00 57.70 57.43 2ipa n MET 46 Cb 0.69 -1.32 0.03 0.00 0.00 0.00 0.00 33.22 32.62 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 1.43 -0.44 0.23 3.03 0.00 0.72 0.08 105.19 110.24 2ipa n GLY 47 Ca 0.02 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.80 -1.97 116.42 117.84 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 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2ipa h ASP 48 CO 0.00 0.22 -0.52 0.29 -2.88 0.00 0.00 179.24 176.36 2ipa n LYS 49 N -3.63 2.88 -4.26 0.28 4.01 0.11 -5.03 118.16 112.53 2ipa n LYS 49 Ca -0.01 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.62 2ipa n LYS 49 Cb 0.35 -0.76 -0.11 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 -1.58 2.45 0.09 -0.35 1.98 -0.13 -4.73 118.68 116.41 2ipa s LEU 50 Ca 0.00 -0.88 0.09 0.00 -2.89 0.00 0.00 54.13 50.45 2ipa s LEU 50 Cb 0.00 -0.53 -0.03 0.00 0.66 0.00 0.00 46.19 46.29 2ipa s LEU 50 CO 0.00 -0.18 -0.24 -0.75 -1.89 0.00 0.00 176.35 173.29 2ipa s LYS 51 N -3.01 1.37 0.03 1.98 2.20 -1.12 -1.12 119.74 120.07 2ipa s LYS 51 Ca 0.12 -1.17 0.05 0.00 -0.36 0.00 0.00 55.97 54.62 2ipa s LYS 51 Cb -0.03 -1.66 -0.02 0.00 -1.51 0.00 0.00 37.83 34.61 2ipa s LYS 51 CO 0.03 0.40 -0.16 0.42 -0.36 0.00 0.00 175.35 175.68 2ipa s ILE 52 N -1.00 1.28 0.03 5.43 1.01 -1.21 -1.11 121.20 125.63 2ipa s ILE 52 Ca 0.10 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2ipa s ILE 52 Cb -0.10 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 2ipa s ILE 52 CO 0.04 0.14 -0.07 -0.69 0.00 0.00 0.00 174.94 174.36 2ipa s VAL 53 N -0.72 0.47 0.17 2.92 1.01 -0.03 -0.68 120.40 123.54 2ipa s VAL 53 Ca 0.04 -0.77 0.11 0.00 0.00 0.00 0.00 61.98 61.36 2ipa s VAL 53 Cb -0.08 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2ipa s VAL 53 CO 0.01 -0.21 -0.23 -0.54 0.00 0.00 0.00 175.10 174.12 2ipa s LYS 54 N -1.06 1.41 -0.12 2.72 1.02 0.21 -1.00 119.74 122.93 2ipa s LYS 54 Ca -0.06 -1.43 0.03 0.00 0.02 0.00 0.00 55.97 54.53 2ipa s LYS 54 Cb -0.07 -1.73 0.01 0.00 -0.52 0.00 0.00 37.83 35.52 2ipa s LYS 54 CO 0.00 0.38 -0.21 0.42 -0.92 0.00 0.00 175.35 175.02 2ipa s ILE 55 N -1.54 1.92 -0.55 2.17 -1.09 0.06 -0.87 121.20 121.31 2ipa s ILE 55 Ca 0.17 -0.92 -0.26 0.00 -2.23 0.00 0.00 60.65 57.41 2ipa s ILE 55 Cb -0.08 -1.69 0.03 0.00 -1.58 0.00 0.00 42.46 39.14 2ipa s ILE 55 CO 0.08 0.53 1.05 -0.62 -1.23 0.00 0.00 174.94 174.75 2ipa s ASP 56 N 0.64 6.42 0.00 3.58 -1.08 -1.26 -1.85 116.67 123.12 2ipa s ASP 56 Ca -0.12 -0.06 -0.06 0.00 -0.52 0.00 0.00 52.55 51.79 2ipa s ASP 56 Cb -0.16 -2.49 -0.25 0.00 -1.46 0.00 0.00 42.92 38.55 2ipa s ASP 56 CO 0.03 -1.31 3.50 1.33 0.52 0.00 0.00 175.17 179.24 2ipa n VAL 57 N 6.45 2.91 0.00 1.11 0.24 0.04 -0.66 118.33 128.42 2ipa n VAL 57 Ca 0.06 -1.43 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 2ipa n VAL 57 Cb 0.48 -1.97 0.00 0.00 -1.47 0.00 0.00 33.84 30.89 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 2.45 0.00 0.07 -1.34 2.03 -1.26 -4.77 116.55 113.73 2ipa n ASP 58 Ca 0.40 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.48 2ipa n ASP 58 Cb 0.89 0.08 -0.15 0.00 -0.72 0.00 0.00 41.12 41.22 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 0.39 0.00 -0.67 4.81 -1.95 -3.40 114.58 113.76 2ipa h GLU 59 Ca 0.00 -0.66 -0.06 0.00 -0.13 0.00 0.00 59.36 58.51 2ipa h GLU 59 Cb 0.00 0.25 -0.13 0.00 0.63 0.00 0.00 28.75 29.49 2ipa h GLU 59 CO 0.00 1.32 -0.65 0.09 -0.73 0.00 0.00 179.01 179.04 2ipa n ASN 60 N -3.71 1.44 0.00 1.04 3.02 0.16 -4.84 115.26 112.37 2ipa n ASN 60 Ca -0.23 -3.11 0.10 0.00 -0.03 0.00 0.00 54.58 51.31 2ipa n ASN 60 Cb 1.03 -0.43 0.54 0.00 -0.61 0.00 0.00 39.78 40.32 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 -0.54 0.43 -0.16 3.52 10.64 -0.91 -3.81 117.38 126.54 2ipa n GLN 61 Ca 0.13 0.06 -0.03 0.00 -1.83 0.00 0.00 57.00 55.34 2ipa n GLN 61 Cb 0.84 -1.50 0.07 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 0.32 -0.54 2.61 5.08 -1.88 -0.44 114.58 119.73 2ipa h GLU 62 Ca 0.00 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2ipa h GLU 62 Cb 0.11 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 2ipa h GLU 62 CO 0.00 0.21 0.21 1.15 -1.00 0.00 0.00 179.01 179.58 2ipa h THR 63 N 0.33 0.83 0.42 1.13 2.02 -1.80 -1.54 112.91 114.30 2ipa h THR 63 Ca 0.25 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 2ipa h THR 63 Cb 0.28 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2ipa h THR 63 CO -0.27 0.07 -0.20 0.00 0.37 0.00 0.00 175.52 175.49 2ipa h ALA 64 N 1.35 -0.84 -0.81 6.16 0.00 -1.39 0.13 119.26 123.86 2ipa h ALA 64 Ca 0.26 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.24 2ipa h ALA 64 Cb 0.27 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 18.15 2ipa h ALA 64 CO -0.25 -0.79 0.11 0.78 0.00 0.00 0.00 179.25 179.09 2ipa h GLY 65 N -0.76 1.06 0.99 0.00 0.00 -0.98 -0.54 103.07 102.83 2ipa h GLY 65 Ca -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2ipa h GLY 65 CO 0.10 -0.31 0.24 1.70 0.00 0.00 0.00 176.54 178.27 2ipa h LYS 66 N 0.16 0.85 0.00 4.80 3.64 -1.19 -2.36 116.57 122.47 2ipa h LYS 66 Ca 0.47 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2ipa h LYS 66 Cb 0.87 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2ipa h LYS 66 CO -0.65 0.73 0.00 -0.92 -2.27 0.00 0.00 179.45 176.33 2ipa h TYR 67 N 0.79 0.00 -2.52 1.91 3.20 0.55 -3.47 116.97 117.43 2ipa h TYR 67 Ca 0.19 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2ipa h TYR 67 Cb 0.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2ipa h TYR 67 CO 0.01 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.94 2ipa n GLY 68 N -0.09 0.25 2.86 1.82 0.00 -0.57 -5.08 105.19 104.37 2ipa n GLY 68 Ca 0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.84 -0.06 0.00 1.61 1.01 -0.53 -4.99 120.40 114.60 2ipa s VAL 69 Ca 0.00 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.18 2ipa s VAL 69 Cb 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.21 2ipa s VAL 69 CO 0.00 0.08 0.82 0.23 0.00 0.00 0.00 175.10 176.23 2ipa n MET 70 N 4.21 0.00 -4.21 2.72 2.81 -1.26 -2.78 117.12 118.62 2ipa n MET 70 Ca -0.27 -0.65 -0.12 0.00 -1.81 0.00 0.00 57.70 54.85 2ipa n MET 70 Cb 0.51 -0.29 -0.10 0.00 -0.71 0.00 0.00 33.22 32.63 2ipa n MET 70 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2ipa s SER 71 N -0.65 1.36 -0.03 7.83 1.04 -1.26 -5.14 113.70 116.85 2ipa s SER 71 Ca 0.01 -1.03 0.03 0.00 0.48 0.00 0.00 55.95 55.44 2ipa s SER 71 Cb 0.01 0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 2ipa s SER 71 CO -0.00 -0.44 -0.13 -0.63 0.98 0.00 0.00 173.24 173.02 2ipa s ILE 72 N -3.53 1.07 -0.08 -1.02 -1.09 -1.26 -3.31 121.20 111.97 2ipa s ILE 72 Ca 0.15 -0.53 -0.24 0.00 -2.23 0.00 0.00 60.65 57.80 2ipa s ILE 72 Cb 0.05 -0.93 -0.03 0.00 -1.58 0.00 0.00 42.46 39.97 2ipa s ILE 72 CO -0.02 0.32 0.76 -2.16 -1.23 0.00 0.00 174.94 172.61 2ipa s PRO 73 N 0.04 4.42 0.02 2.79 0.04 -1.26 -4.70 135.00 136.34 2ipa s PRO 73 Ca -0.02 0.96 -0.15 0.00 0.04 0.00 0.00 61.00 61.84 2ipa s PRO 73 Cb -0.09 -3.48 -0.06 0.00 0.04 0.00 0.00 34.50 30.91 2ipa s PRO 73 CO 0.01 -0.04 0.43 0.99 0.04 0.00 0.00 177.00 178.43 2ipa s THR 74 N 1.13 5.00 -0.36 1.26 2.01 -1.05 -1.92 115.64 121.72 2ipa s THR 74 Ca 0.39 0.85 -0.00 0.00 0.31 0.00 0.00 61.69 63.24 2ipa s THR 74 Cb -0.18 -3.72 0.13 0.00 0.01 0.00 0.00 72.50 68.73 2ipa s THR 74 CO 0.18 0.55 0.19 -0.22 -0.69 0.00 0.00 174.62 174.63 2ipa s LEU 75 N -1.16 1.48 0.05 4.42 2.96 0.25 -0.57 118.68 126.10 2ipa s LEU 75 Ca 0.25 -2.08 -0.29 0.00 -0.22 0.00 0.00 54.13 51.79 2ipa s LEU 75 Cb -0.17 -0.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 2ipa s LEU 75 CO 0.14 -0.33 0.95 -0.76 -1.32 0.00 0.00 176.35 175.03 2ipa s LEU 76 N 1.13 4.43 -0.21 -0.68 1.43 -0.14 -1.43 118.68 123.21 2ipa s LEU 76 Ca 0.15 1.69 -0.03 0.00 -1.03 0.00 0.00 54.13 54.92 2ipa s LEU 76 Cb -0.22 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 2ipa s LEU 76 CO -0.08 -0.15 -0.08 -0.69 0.23 0.00 0.00 176.35 175.58 2ipa s VAL 77 N 0.48 3.09 0.17 -1.59 1.01 0.36 -0.65 120.40 123.27 2ipa s VAL 77 Ca 0.48 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.94 2ipa s VAL 77 Cb -0.22 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2ipa s VAL 77 CO 0.28 0.45 -0.14 -0.76 0.00 0.00 0.00 175.10 174.94 2ipa s LEU 78 N 1.35 2.50 -0.09 3.92 1.02 -0.49 -0.78 118.68 126.11 2ipa s LEU 78 Ca 0.04 -0.94 -0.14 0.00 0.02 0.00 0.00 54.13 53.11 2ipa s LEU 78 Cb -0.14 -0.61 0.03 0.00 0.02 0.00 0.00 46.19 45.49 2ipa s LEU 78 CO -0.05 -0.17 0.35 -1.59 0.02 0.00 0.00 176.35 174.91 2ipa s LYS 79 N -3.29 0.53 -0.56 1.70 -2.85 0.20 -0.75 119.74 114.72 2ipa s LYS 79 Ca 0.17 0.23 -0.01 0.00 -1.00 0.00 0.00 55.97 55.36 2ipa s LYS 79 Cb -0.02 0.25 0.01 0.00 -2.06 0.00 0.00 37.83 36.00 2ipa s LYS 79 CO 0.05 -0.11 0.02 -3.47 0.10 0.00 0.00 175.35 171.94 2ipa n ASP 80 N 2.22 -2.46 0.00 0.03 2.03 -0.02 -1.53 116.55 116.82 2ipa n ASP 80 Ca -0.16 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2ipa n ASP 80 Cb 0.57 -2.16 0.00 0.00 -0.72 0.00 0.00 41.12 38.81 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 -0.67 0.82 3.09 0.27 0.00 -0.94 -4.73 105.19 103.03 2ipa n GLY 81 Ca -0.07 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.66 0.62 0.30 1.61 -1.05 -0.58 -4.91 118.70 114.03 2ipa s GLU 82 Ca 0.00 -0.78 -0.28 0.00 -0.15 0.00 0.00 54.97 53.76 2ipa s GLU 82 Cb 0.00 -0.47 -0.09 0.00 -0.44 0.00 0.00 34.13 33.13 2ipa s GLU 82 CO 0.00 0.10 1.04 0.54 0.95 0.00 0.00 175.26 177.88 2ipa s VAL 83 N -1.26 3.74 0.00 1.83 0.11 -1.26 -0.63 120.40 122.93 2ipa s VAL 83 Ca -0.07 1.62 0.00 0.00 -2.93 0.00 0.00 61.98 60.60 2ipa s VAL 83 Cb -0.09 -3.98 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 2ipa s VAL 83 CO 0.01 0.29 0.00 1.33 -3.33 0.00 0.00 175.10 173.40 2ipa n VAL 84 N 0.90 0.00 -3.86 2.04 0.24 0.04 -4.91 118.33 112.79 2ipa n VAL 84 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.20 2ipa n VAL 84 Cb 0.47 0.23 -0.09 0.00 -1.47 0.00 0.00 33.84 32.98 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 -1.15 0.61 -0.14 7.34 0.41 -0.90 -5.02 118.70 119.85 2ipa s GLU 85 Ca 0.00 -0.55 -0.04 0.00 -0.41 0.00 0.00 54.97 53.96 2ipa s GLU 85 Cb 0.00 0.25 0.07 0.00 -1.78 0.00 0.00 34.13 32.67 2ipa s GLU 85 CO 0.00 -0.16 0.23 0.99 -0.49 0.00 0.00 175.26 175.82 2ipa s THR 86 N -2.13 -0.35 0.03 3.63 2.01 -1.26 -0.49 115.64 117.08 2ipa s THR 86 Ca -0.09 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.10 2ipa s THR 86 Cb -0.03 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 2ipa s THR 86 CO -0.02 0.02 -0.08 -0.44 -0.69 0.00 0.00 174.62 173.41 2ipa s SER 87 N 2.36 0.84 -0.32 3.53 0.01 -0.51 -5.03 113.70 114.58 2ipa s SER 87 Ca 0.04 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 56.85 2ipa s SER 87 Cb -0.13 0.00 0.12 0.00 0.21 0.00 0.00 66.02 66.22 2ipa s SER 87 CO -0.09 -0.12 0.18 -0.69 0.41 0.00 0.00 173.24 172.92 2ipa s VAL 88 N -1.03 -0.01 0.00 3.43 1.01 -1.26 -0.58 120.40 121.95 2ipa s VAL 88 Ca -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.76 2ipa s VAL 88 Cb -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.28 2ipa s VAL 88 CO 0.00 -0.82 0.00 0.61 0.00 0.00 0.00 175.10 174.89 2ipa n GLY 89 N 4.71 3.55 3.77 4.51 0.00 -0.81 -4.92 105.19 115.99 2ipa n GLY 89 Ca 0.02 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 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 2.73 -0.01 1.61 5.36 -1.26 -4.74 117.98 119.68 2ipa s PHE 90 Ca 0.00 1.39 0.02 0.00 -0.96 0.00 0.00 56.93 57.37 2ipa s PHE 90 Cb 0.00 -3.71 -0.00 0.00 -0.34 0.00 0.00 43.02 38.97 2ipa s PHE 90 CO 0.00 -2.25 -0.06 0.15 -1.46 0.00 0.00 175.22 171.60 2ipa s LYS 91 N -2.33 0.48 0.98 10.12 3.01 -1.26 -5.11 119.74 125.62 2ipa s LYS 91 Ca 0.58 -0.20 -0.12 0.00 -1.01 0.00 0.00 55.97 55.22 2ipa s LYS 91 Cb -0.39 -0.46 0.18 0.00 -1.01 0.00 0.00 37.83 36.15 2ipa s LYS 91 CO 0.50 0.12 1.09 -1.25 0.51 0.00 0.00 175.35 176.31 2ipa s PRO 92 N -0.11 0.60 0.25 -1.68 0.04 -1.26 -4.68 135.00 128.16 2ipa s PRO 92 Ca 0.02 0.73 -0.05 0.00 0.04 0.00 0.00 61.00 61.73 2ipa s PRO 92 Cb -0.03 -1.74 0.49 0.00 0.04 0.00 0.00 34.50 33.26 2ipa s PRO 92 CO -0.00 -2.67 1.65 -0.22 0.04 0.00 0.00 177.00 175.80 2ipa h LYS 93 N -1.85 0.15 -0.24 4.56 1.63 -1.97 -0.04 116.57 118.81 2ipa h LYS 93 Ca -0.53 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.18 2ipa h LYS 93 Cb 1.31 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.90 2ipa h LYS 93 CO 0.55 0.10 -0.18 0.93 -3.45 0.00 0.00 179.45 177.39 2ipa h GLU 94 N 0.16 0.55 -0.47 1.90 5.08 -1.98 -0.19 114.58 119.63 2ipa h GLU 94 Ca 0.44 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2ipa h GLU 94 Cb 0.79 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2ipa h GLU 94 CO -0.63 0.85 0.05 0.00 -1.00 0.00 0.00 179.01 178.28 2ipa h ALA 95 N 0.69 1.22 0.18 3.43 0.00 -1.72 -0.20 119.26 122.86 2ipa h ALA 95 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2ipa h ALA 95 Cb 0.72 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ipa h ALA 95 CO 0.05 0.52 -0.09 1.25 0.00 0.00 0.00 179.25 180.99 2ipa h LEU 96 N 0.70 -0.20 -1.05 0.00 7.12 -0.84 -1.17 115.31 119.87 2ipa h LEU 96 Ca 0.15 -0.12 -0.06 0.00 0.13 0.00 0.00 57.88 57.98 2ipa h LEU 96 Cb 0.35 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.51 2ipa h LEU 96 CO 0.01 0.00 0.05 0.06 -0.13 0.00 0.00 178.44 178.43 2ipa h GLN 97 N -0.40 0.73 -0.06 1.25 3.07 -0.77 -2.07 115.11 116.85 2ipa h GLN 97 Ca -0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 58.65 58.55 2ipa h GLN 97 Cb 0.31 -0.10 -0.00 0.00 0.08 0.00 0.00 27.48 27.77 2ipa h GLN 97 CO 0.04 0.71 0.04 1.49 0.09 0.00 0.00 178.83 181.19 2ipa h GLU 98 N 0.70 0.08 -1.01 0.06 4.81 -0.97 -0.02 114.58 118.23 2ipa h GLU 98 Ca 0.15 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2ipa h GLU 98 Cb 0.35 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 2ipa h GLU 98 CO 0.01 0.10 0.66 1.25 -0.73 0.00 0.00 179.01 180.30 2ipa h LEU 99 N 0.04 1.14 0.24 1.64 5.85 -0.55 -0.98 115.31 122.68 2ipa h LEU 99 Ca 0.02 -0.02 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 2ipa h LEU 99 Cb 0.04 -0.27 0.04 0.00 0.37 0.00 0.00 40.66 40.83 2ipa h LEU 99 CO -0.00 0.81 -1.38 1.62 -0.34 0.00 0.00 178.44 179.14 2ipa h VAL 100 N 1.33 1.32 -0.53 1.05 3.04 -1.39 -3.30 116.25 117.76 2ipa h VAL 100 Ca 0.38 -2.67 0.14 0.00 -1.01 0.00 0.00 66.70 63.54 2ipa h VAL 100 Cb -0.10 3.07 -0.02 0.00 -2.01 0.00 0.00 31.29 32.23 2ipa h VAL 100 CO -0.10 0.80 0.38 -1.13 -1.01 0.00 0.00 177.57 176.51 2ipa h ASN 101 N 0.07 0.06 0.00 3.17 -1.24 -0.49 0.10 115.58 117.25 2ipa h ASN 101 Ca -0.24 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.77 2ipa h ASN 101 Cb 2.09 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 41.13 2ipa h ASN 101 CO 0.26 0.03 0.02 0.11 -1.29 0.00 0.00 177.43 176.56 2ipa h LYS 102 N 0.07 0.00 0.00 6.67 1.57 -1.27 -3.25 116.57 120.35 2ipa h LYS 102 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2ipa h LYS 102 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2ipa h LYS 102 CO -0.02 0.00 -0.41 0.72 -0.57 0.00 0.00 179.45 179.18 2ipa n HIS 103 N -2.77 0.00 0.40 -1.35 8.25 -0.24 -5.13 115.22 114.38 2ipa n HIS 103 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 2ipa n HIS 103 Cb 0.07 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.37 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87