#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 -1.30 -0.83 -5.12 0.00 -1.26 -5.05 121.76 108.20 2ipa s ALA 2 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 51.96 51.55 2ipa s ALA 2 Cb 0.00 0.82 0.11 0.00 0.00 0.00 0.00 23.12 24.05 2ipa s ALA 2 CO 0.00 -1.03 1.06 0.42 0.00 0.00 0.00 175.76 176.20 2ipa s ILE 3 N -3.81 4.60 0.90 0.00 1.09 -1.26 -2.64 121.20 120.08 2ipa s ILE 3 Ca 0.11 -1.16 -0.13 0.00 -1.10 0.00 0.00 60.65 58.37 2ipa s ILE 3 Cb -0.05 -4.74 0.14 0.00 -1.06 0.00 0.00 42.46 36.75 2ipa s ILE 3 CO 0.06 -1.47 1.15 -0.69 -0.10 0.00 0.00 174.94 173.89 2ipa s VAL 4 N 3.13 1.99 -0.06 2.92 1.01 0.20 -4.89 120.40 124.70 2ipa s VAL 4 Ca 0.28 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.29 2ipa s VAL 4 Cb -0.10 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.50 2ipa s VAL 4 CO -0.03 0.00 -0.12 -0.75 0.00 0.00 0.00 175.10 174.21 2ipa s LYS 5 N -5.37 1.58 0.71 2.72 2.20 -1.26 -0.42 119.74 119.90 2ipa s LYS 5 Ca 0.64 -0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2ipa s LYS 5 Cb -0.13 -1.33 0.12 0.00 -1.51 0.00 0.00 37.83 34.98 2ipa s LYS 5 CO 0.53 0.04 0.98 0.00 -0.36 0.00 0.00 175.35 176.54 2ipa s ALA 6 N 0.60 3.67 0.25 3.13 0.00 0.39 -4.88 121.76 124.93 2ipa s ALA 6 Ca -0.13 -1.67 -0.04 0.00 0.00 0.00 0.00 51.96 50.13 2ipa s ALA 6 Cb -0.15 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 20.94 2ipa s ALA 6 CO 0.03 -1.42 0.40 -2.37 0.00 0.00 0.00 175.76 172.40 2ipa n THR 7 N -2.82 0.00 -0.39 0.00 5.66 -1.26 -4.79 114.28 110.68 2ipa n THR 7 Ca 0.14 -1.07 0.35 0.00 -3.05 0.00 0.00 64.05 60.42 2ipa n THR 7 Cb 0.60 0.74 0.60 0.00 -1.55 0.00 0.00 70.33 70.73 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 -1.65 0.25 0.00 1.09 2.03 -1.26 -1.15 116.55 115.85 2ipa n ASP 8 Ca -0.01 1.40 0.00 0.00 0.52 0.00 0.00 54.79 56.70 2ipa n ASP 8 Cb 0.41 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 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 -4.80 2.10 0.32 -0.67 6.02 -1.26 -4.57 117.38 114.53 2ipa n GLN 9 Ca 0.37 0.00 0.21 0.00 -0.01 0.00 0.00 57.00 57.57 2ipa n GLN 9 Cb 1.37 -0.78 1.10 0.00 1.02 0.00 0.00 30.24 32.95 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 -0.37 1.08 0.02 -1.91 -1.90 113.55 110.48 2ipa h SER 10 Ca 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2ipa h SER 10 Cb 0.56 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.01 2ipa h SER 10 CO 0.00 0.01 -0.27 0.15 -1.14 0.00 0.00 176.83 175.58 2ipa h PHE 11 N 0.00 -0.72 -0.37 3.45 3.57 -1.42 0.34 116.94 121.79 2ipa h PHE 11 Ca -0.00 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2ipa h PHE 11 Cb 0.08 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2ipa h PHE 11 CO 0.00 -0.34 0.11 0.77 -2.23 0.00 0.00 178.31 176.62 2ipa h SER 12 N -0.22 0.54 -0.39 0.41 0.02 -1.63 -2.68 113.55 109.61 2ipa h SER 12 Ca 0.17 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2ipa h SER 12 Cb 0.49 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2ipa h SER 12 CO -0.49 0.61 0.17 0.00 -1.14 0.00 0.00 176.83 175.98 2ipa h ALA 13 N 0.95 1.46 0.00 3.77 0.00 -1.31 -0.26 119.26 123.88 2ipa h ALA 13 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ipa h ALA 13 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ipa h ALA 13 CO -0.00 0.41 0.00 0.39 0.00 0.00 0.00 179.25 180.05 2ipa n GLU 14 N -4.36 0.22 0.00 0.00 -0.58 0.05 -4.13 120.64 111.85 2ipa n GLU 14 Ca 0.03 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 2ipa n GLU 14 Cb 0.16 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 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 -2.14 0.00 1.74 2.62 -2.24 -0.47 -4.74 114.28 109.05 2ipa n THR 15 Ca 0.06 -0.48 0.14 0.00 -2.27 0.00 0.00 64.05 61.50 2ipa n THR 15 Cb 0.40 1.01 0.84 0.00 -2.10 0.00 0.00 70.33 70.49 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 -0.61 0.00 -3.92 3.42 7.64 -0.23 -3.73 113.62 116.19 2ipa n SER 16 Ca 0.00 -0.80 -0.11 0.00 1.01 0.00 0.00 58.87 58.98 2ipa n SER 16 Cb 0.00 -0.04 -0.12 0.00 -1.01 0.00 0.00 64.21 63.04 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 -2.08 0.20 1.10 1.43 2.02 -1.26 -2.62 118.70 117.50 2ipa s GLU 17 Ca 0.41 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.10 2ipa s GLU 17 Cb 0.20 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.50 2ipa s GLU 17 CO 0.35 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.00 2ipa n GLY 18 N 2.24 -1.90 3.50 -1.39 0.00 -1.26 -4.66 105.19 101.72 2ipa n GLY 18 Ca -0.19 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.11 4.98 -0.10 1.61 1.01 -1.26 -0.88 120.40 125.65 2ipa s VAL 19 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2ipa s VAL 19 Cb 0.00 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.90 2ipa s VAL 19 CO 0.00 0.08 -0.02 -0.69 0.00 0.00 0.00 175.10 174.47 2ipa s VAL 20 N 1.68 0.63 0.07 2.92 1.01 -0.74 -2.80 120.40 123.18 2ipa s VAL 20 Ca 0.06 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 2ipa s VAL 20 Cb -0.17 -0.78 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 2ipa s VAL 20 CO 0.09 0.25 0.66 -0.22 0.00 0.00 0.00 175.10 175.88 2ipa s LEU 21 N 1.86 4.50 0.05 3.92 0.20 -0.32 -0.59 118.68 128.30 2ipa s LEU 21 Ca 0.04 1.36 0.09 0.00 0.69 0.00 0.00 54.13 56.32 2ipa s LEU 21 Cb -0.13 -3.06 -0.03 0.00 -0.43 0.00 0.00 46.19 42.54 2ipa s LEU 21 CO -0.07 0.16 -0.26 0.00 -0.29 0.00 0.00 176.35 175.90 2ipa s ALA 22 N -0.67 2.27 0.01 5.97 0.00 0.35 -0.98 121.76 128.72 2ipa s ALA 22 Ca 0.33 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2ipa s ALA 22 Cb -0.20 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 2ipa s ALA 22 CO 0.21 0.54 -0.02 0.34 0.00 0.00 0.00 175.76 176.82 2ipa s ASP 23 N -1.31 0.22 -0.22 0.00 2.15 -0.32 -0.92 116.67 116.27 2ipa s ASP 23 Ca 0.12 -0.24 0.01 0.00 0.43 0.00 0.00 52.55 52.87 2ipa s ASP 23 Cb -0.10 0.03 0.05 0.00 -0.30 0.00 0.00 42.92 42.61 2ipa s ASP 23 CO 0.02 -0.12 -0.07 -0.36 -0.17 0.00 0.00 175.17 174.48 2ipa s PHE 24 N -0.66 2.37 0.10 -5.34 0.40 0.81 -0.49 117.98 115.17 2ipa s PHE 24 Ca -0.07 -1.68 0.05 0.00 -0.60 0.00 0.00 56.93 54.63 2ipa s PHE 24 Cb -0.05 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2ipa s PHE 24 CO -0.00 -0.76 -0.12 1.67 0.70 0.00 0.00 175.22 176.71 2ipa s TRP 25 N 1.41 1.19 0.00 0.36 1.48 -0.63 -2.45 118.94 120.30 2ipa s TRP 25 Ca -0.04 -0.59 -0.29 0.00 -1.06 0.00 0.00 56.10 54.12 2ipa s TRP 25 Cb -0.18 -0.64 0.10 0.00 -1.16 0.00 0.00 33.47 31.59 2ipa s TRP 25 CO -0.07 0.06 0.98 0.00 -4.06 0.00 0.00 176.95 173.86 2ipa s ALA 26 N -2.14 -1.85 -0.15 2.67 0.00 -1.26 -0.89 121.76 118.14 2ipa s ALA 26 Ca 0.05 0.86 0.13 0.00 0.00 0.00 0.00 51.96 53.00 2ipa s ALA 26 Cb -0.05 0.39 0.69 0.00 0.00 0.00 0.00 23.12 24.15 2ipa s ALA 26 CO 0.01 -0.79 1.30 -2.30 0.00 0.00 0.00 175.76 173.99 2ipa n PRO 27 N -0.29 0.09 0.30 0.00 -0.02 -1.26 -3.02 135.00 130.79 2ipa n PRO 27 Ca -0.07 0.55 0.16 0.00 -2.02 0.00 0.00 63.50 62.12 2ipa n PRO 27 Cb 0.61 -1.99 0.94 0.00 -0.02 0.00 0.00 33.50 33.04 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 -4.08 6.00 4.06 -1.96 -3.45 115.95 116.52 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 0.42 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 28.40 2ipa h TRP 28 CO 0.00 0.02 -0.69 0.00 -3.56 0.00 0.00 178.44 174.20 2ipa h GLY 30 N 3.75 0.22 0.48 0.00 0.00 -1.89 -3.17 103.07 102.46 2ipa h GLY 30 Ca -0.34 -0.15 0.19 0.00 0.00 0.00 0.00 47.33 47.03 2ipa h GLY 30 CO 0.55 0.14 0.58 -2.55 0.00 0.00 0.00 176.54 175.26 2ipa h PRO 31 N -0.02 0.00 -0.01 4.80 0.11 -1.95 0.06 132.00 134.99 2ipa h PRO 31 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2ipa h PRO 31 Cb 0.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 2ipa h PRO 31 CO 0.00 0.00 0.11 0.77 -0.21 0.00 0.00 178.00 178.67 2ipa h SER 32 N 0.00 0.00 -0.34 -2.05 0.02 -1.82 0.29 113.55 109.65 2ipa h SER 32 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2ipa h SER 32 Cb 1.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2ipa h SER 32 CO -0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 2ipa n LYS 33 N -3.09 2.89 0.00 3.45 4.01 0.01 -3.81 118.16 121.62 2ipa n LYS 33 Ca -0.02 -2.16 0.00 0.00 -0.51 0.00 0.00 58.31 55.62 2ipa n LYS 33 Cb 0.18 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.35 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 0.39 0.00 -0.21 1.97 2.81 -0.19 -4.53 117.12 117.36 2ipa n MET 34 Ca 0.13 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.00 2ipa n MET 34 Cb 0.49 -0.76 0.18 0.00 -0.71 0.00 0.00 33.22 32.42 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 1.22 0.41 2.02 6.09 -0.76 -2.51 117.51 123.99 2ipa h ILE 35 Ca 0.00 -0.63 -0.01 0.00 -1.37 0.00 0.00 64.86 62.85 2ipa h ILE 35 Cb 0.88 0.34 -0.03 0.00 0.47 0.00 0.00 36.82 38.49 2ipa h ILE 35 CO 0.00 0.27 -0.45 0.00 -3.07 0.00 0.00 178.15 174.90 2ipa h ALA 36 N 1.38 -0.98 -0.93 0.18 0.00 -1.72 0.15 119.26 117.34 2ipa h ALA 36 Ca 0.24 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2ipa h ALA 36 Cb 0.11 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2ipa h ALA 36 CO -0.03 -1.09 0.62 -1.00 0.00 0.00 0.00 179.25 177.75 2ipa h PRO 37 N -0.88 1.21 -1.01 0.00 0.13 -1.79 -2.34 132.00 127.32 2ipa h PRO 37 Ca -0.04 -0.07 0.07 0.00 -0.87 0.00 0.00 66.00 65.09 2ipa h PRO 37 Cb 0.79 -0.27 -0.07 0.00 0.13 0.00 0.00 31.00 31.58 2ipa h PRO 37 CO -0.08 0.80 0.65 0.28 -0.23 0.00 0.00 178.00 179.42 2ipa h VAL 38 N 1.25 1.07 -0.36 1.56 2.07 -0.96 -0.10 116.25 120.77 2ipa h VAL 38 Ca 0.35 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 2ipa h VAL 38 Cb -0.12 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.45 2ipa h VAL 38 CO -0.08 0.21 -0.14 -0.07 0.02 0.00 0.00 177.57 177.51 2ipa h LEU 39 N 1.16 0.75 -0.95 2.57 3.38 -0.45 0.40 115.31 122.17 2ipa h LEU 39 Ca 0.44 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2ipa h LEU 39 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2ipa h LEU 39 CO -0.18 0.97 0.02 -0.33 0.09 0.00 0.00 178.44 179.00 2ipa h GLU 40 N 0.52 0.78 -0.36 1.13 5.08 -1.06 0.16 114.58 120.83 2ipa h GLU 40 Ca 0.09 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 2ipa h GLU 40 Cb 0.67 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2ipa h GLU 40 CO 0.05 0.78 -0.23 0.93 -1.00 0.00 0.00 179.01 179.54 2ipa h GLU 41 N 0.74 0.71 -0.41 2.33 4.39 -0.89 -1.95 114.58 119.50 2ipa h GLU 41 Ca 0.15 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 2ipa h GLU 41 Cb 0.42 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2ipa h GLU 41 CO 0.02 0.88 0.13 1.25 -1.16 0.00 0.00 179.01 180.12 2ipa h LEU 42 N 0.62 0.59 -0.65 1.33 5.85 -0.17 -2.12 115.31 120.76 2ipa h LEU 42 Ca 0.09 -0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.46 2ipa h LEU 42 Cb 0.72 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2ipa h LEU 42 CO 0.06 0.64 -0.51 -0.78 -0.34 0.00 0.00 178.44 177.50 2ipa h ASP 43 N 0.52 0.47 0.14 1.25 3.58 -0.93 -0.30 116.42 121.15 2ipa h ASP 43 Ca 0.13 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 2ipa h ASP 43 Cb 0.25 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 2ipa h ASP 43 CO -0.00 0.90 -0.07 1.56 -2.88 0.00 0.00 179.24 178.74 2ipa h GLN 44 N 0.34 0.00 0.09 0.28 4.20 -1.22 0.12 115.11 118.92 2ipa h GLN 44 Ca 0.01 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.39 2ipa h GLN 44 Cb 1.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 2ipa h GLN 44 CO 0.09 0.07 -1.80 -1.91 -0.67 0.00 0.00 178.83 174.62 2ipa n GLU 45 N -4.02 0.70 -0.45 1.46 4.07 -0.72 -4.70 120.64 116.99 2ipa n GLU 45 Ca -0.03 0.35 0.00 0.00 -0.06 0.00 0.00 57.16 57.43 2ipa n GLU 45 Cb 0.16 -1.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.82 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 -3.76 0.00 0.00 5.31 0.00 -0.20 -4.83 117.12 113.63 2ipa n MET 46 Ca -0.32 -0.75 0.02 0.00 0.00 0.00 0.00 57.70 56.65 2ipa n MET 46 Cb 0.94 -0.39 0.11 0.00 0.00 0.00 0.00 33.22 33.88 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 -0.51 0.29 3.17 0.00 0.42 -1.15 105.19 107.41 2ipa n GLY 47 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.16 2ipa n GLY 47 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2ipa h ASP 48 N 0.00 0.00 0.00 1.61 3.58 -1.88 0.16 116.42 119.88 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 0.06 -0.05 0.29 -2.88 0.00 0.00 179.24 176.66 2ipa n LYS 49 N -3.42 5.09 -4.24 0.28 4.01 -0.30 -4.96 118.16 114.62 2ipa n LYS 49 Ca -0.02 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.57 2ipa n LYS 49 Cb 0.20 -0.41 -0.12 0.00 -0.51 0.00 0.00 35.03 34.18 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 2.30 0.11 -0.35 2.96 -0.97 -4.69 118.68 116.46 2ipa s LEU 50 Ca 0.00 -0.68 0.09 0.00 -0.22 0.00 0.00 54.13 53.32 2ipa s LEU 50 Cb 0.00 -0.72 -0.04 0.00 0.50 0.00 0.00 46.19 45.93 2ipa s LEU 50 CO 0.00 -0.01 -0.22 -0.75 -1.32 0.00 0.00 176.35 174.05 2ipa s LYS 51 N -1.93 1.17 0.01 1.98 2.20 -1.12 -0.40 119.74 121.64 2ipa s LYS 51 Ca 0.04 -1.19 0.04 0.00 -0.36 0.00 0.00 55.97 54.49 2ipa s LYS 51 Cb -0.09 -1.47 -0.01 0.00 -1.51 0.00 0.00 37.83 34.74 2ipa s LYS 51 CO 0.04 0.34 -0.12 0.42 -0.36 0.00 0.00 175.35 175.67 2ipa s ILE 52 N -1.15 0.93 -0.04 5.43 1.01 -1.08 -1.18 121.20 125.12 2ipa s ILE 52 Ca 0.08 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 2ipa s ILE 52 Cb -0.10 -0.82 0.03 0.00 0.01 0.00 0.00 42.46 41.58 2ipa s ILE 52 CO 0.05 0.10 0.04 -0.69 0.00 0.00 0.00 174.94 174.44 2ipa s VAL 53 N -0.57 -0.01 0.42 2.92 1.01 -0.15 -0.63 120.40 123.40 2ipa s VAL 53 Ca 0.02 0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 2ipa s VAL 53 Cb -0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 36.38 36.04 2ipa s VAL 53 CO 0.00 0.18 0.79 -0.54 0.00 0.00 0.00 175.10 175.53 2ipa s LYS 54 N 1.97 3.75 -0.16 2.72 -0.14 0.45 -1.17 119.74 127.16 2ipa s LYS 54 Ca 0.03 0.46 -0.00 0.00 -1.36 0.00 0.00 55.97 55.10 2ipa s LYS 54 Cb -0.12 -2.37 0.04 0.00 -1.68 0.00 0.00 37.83 33.70 2ipa s LYS 54 CO -0.03 -0.08 -0.07 0.42 -0.76 0.00 0.00 175.35 174.83 2ipa s ILE 55 N -2.45 1.20 -0.50 2.17 -1.09 0.36 -0.46 121.20 120.43 2ipa s ILE 55 Ca 0.51 -0.63 -0.28 0.00 -2.23 0.00 0.00 60.65 58.02 2ipa s ILE 55 Cb -0.10 -1.32 0.02 0.00 -1.58 0.00 0.00 42.46 39.48 2ipa s ILE 55 CO 0.34 0.19 1.32 -0.62 -1.23 0.00 0.00 174.94 174.94 2ipa s ASP 56 N 1.60 6.34 0.00 3.58 -1.08 -1.26 -1.61 116.67 124.25 2ipa s ASP 56 Ca 0.01 0.45 -0.05 0.00 -0.52 0.00 0.00 52.55 52.44 2ipa s ASP 56 Cb -0.15 -2.55 -0.23 0.00 -1.46 0.00 0.00 42.92 38.54 2ipa s ASP 56 CO -0.08 -1.50 3.34 1.33 0.52 0.00 0.00 175.17 178.78 2ipa n VAL 57 N 6.90 2.80 0.00 1.11 0.24 -0.07 -0.48 118.33 128.83 2ipa n VAL 57 Ca 0.13 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 2ipa n VAL 57 Cb 0.49 -1.92 0.00 0.00 -1.47 0.00 0.00 33.84 30.94 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 2.37 0.00 0.10 -1.34 2.03 -1.26 -4.77 116.55 113.68 2ipa n ASP 58 Ca 0.36 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.50 2ipa n ASP 58 Cb 0.84 0.20 -0.14 0.00 -0.72 0.00 0.00 41.12 41.30 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 0.30 -0.01 -0.67 4.81 -1.94 -3.39 114.58 113.67 2ipa h GLU 59 Ca 0.00 -0.51 -0.13 0.00 -0.13 0.00 0.00 59.36 58.59 2ipa h GLU 59 Cb 0.00 0.19 -0.27 0.00 0.63 0.00 0.00 28.75 29.30 2ipa h GLU 59 CO 0.00 1.22 -0.88 0.09 -0.73 0.00 0.00 179.01 178.71 2ipa n ASN 60 N -3.53 1.25 0.00 1.04 3.02 0.37 -4.88 115.26 112.53 2ipa n ASN 60 Ca -0.12 -2.58 0.10 0.00 -0.03 0.00 0.00 54.58 51.95 2ipa n ASN 60 Cb 1.04 -0.37 0.52 0.00 -0.61 0.00 0.00 39.78 40.36 2ipa n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ipa n GLN 61 N -0.01 0.29 -0.18 3.52 10.64 -0.94 -3.74 117.38 126.95 2ipa n GLN 61 Ca 0.10 0.09 -0.03 0.00 -1.83 0.00 0.00 57.00 55.33 2ipa n GLN 61 Cb 1.01 -1.50 0.07 0.00 -0.86 0.00 0.00 30.24 28.96 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 0.45 -0.81 2.61 5.08 -1.89 -0.44 114.58 119.57 2ipa h GLU 62 Ca 0.00 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2ipa h GLU 62 Cb 0.20 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 2ipa h GLU 62 CO 0.00 0.30 0.45 1.15 -1.00 0.00 0.00 179.01 179.91 2ipa h THR 63 N 0.46 0.89 0.27 1.13 2.02 -1.81 -1.02 112.91 114.85 2ipa h THR 63 Ca 0.25 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2ipa h THR 63 Cb 0.22 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2ipa h THR 63 CO -0.21 0.14 -0.13 0.00 0.37 0.00 0.00 175.52 175.69 2ipa h ALA 64 N 1.46 -0.65 -0.87 6.16 0.00 -1.37 -0.38 119.26 123.61 2ipa h ALA 64 Ca 0.40 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.46 2ipa h ALA 64 Cb 0.39 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.18 2ipa h ALA 64 CO -0.26 -0.62 0.26 0.78 0.00 0.00 0.00 179.25 179.41 2ipa h GLY 65 N -0.58 1.38 0.91 0.00 0.00 -1.04 -0.49 103.07 103.25 2ipa h GLY 65 Ca -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2ipa h GLY 65 CO 0.06 -0.34 0.07 1.70 0.00 0.00 0.00 176.54 178.03 2ipa h LYS 66 N 0.24 0.57 0.00 4.80 3.64 -1.15 -2.89 116.57 121.78 2ipa h LYS 66 Ca 0.55 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.71 2ipa h LYS 66 Cb 1.09 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2ipa h LYS 66 CO -0.62 0.63 -0.32 -0.92 -2.27 0.00 0.00 179.45 175.95 2ipa h TYR 67 N 0.41 0.00 -0.03 1.91 3.20 0.18 -3.47 116.97 119.17 2ipa h TYR 67 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2ipa h TYR 67 Cb 0.33 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2ipa h TYR 67 CO 0.02 0.32 0.00 0.41 -1.64 0.00 0.00 178.16 177.27 2ipa n GLY 68 N -0.12 0.85 2.90 1.82 0.00 -0.32 -5.09 105.19 105.22 2ipa n GLY 68 Ca -0.01 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.01 -0.05 0.00 1.61 1.01 -0.47 -4.98 120.40 115.51 2ipa s VAL 69 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.18 2ipa s VAL 69 Cb 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 36.38 36.22 2ipa s VAL 69 CO 0.00 0.07 0.84 0.23 0.00 0.00 0.00 175.10 176.24 2ipa n MET 70 N 4.14 0.00 -4.14 2.72 2.81 -1.26 -2.73 117.12 118.65 2ipa n MET 70 Ca -0.26 -0.75 -0.09 0.00 -1.81 0.00 0.00 57.70 54.79 2ipa n MET 70 Cb 0.52 -0.19 -0.10 0.00 -0.71 0.00 0.00 33.22 32.74 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 -0.75 0.56 -0.03 7.83 1.04 -1.26 -5.14 113.70 115.95 2ipa s SER 71 Ca 0.04 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 55.37 2ipa s SER 71 Cb 0.04 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2ipa s SER 71 CO -0.02 -0.64 -0.10 -0.63 0.98 0.00 0.00 173.24 172.82 2ipa s ILE 72 N -3.92 0.89 -0.15 -1.02 -1.09 -1.26 -3.19 121.20 111.46 2ipa s ILE 72 Ca 0.18 -0.42 -0.24 0.00 -2.23 0.00 0.00 60.65 57.94 2ipa s ILE 72 Cb 0.07 -0.79 -0.02 0.00 -1.58 0.00 0.00 42.46 40.14 2ipa s ILE 72 CO -0.02 0.27 0.76 -2.16 -1.23 0.00 0.00 174.94 172.56 2ipa s PRO 73 N 0.18 4.31 0.23 2.79 0.04 -1.26 -4.69 135.00 136.61 2ipa s PRO 73 Ca -0.03 0.89 -0.13 0.00 0.04 0.00 0.00 61.00 61.77 2ipa s PRO 73 Cb -0.09 -3.55 -0.08 0.00 0.04 0.00 0.00 34.50 30.83 2ipa s PRO 73 CO 0.01 -0.22 0.61 0.99 0.04 0.00 0.00 177.00 178.43 2ipa s THR 74 N 1.78 4.81 -0.09 1.26 2.01 -1.02 -1.55 115.64 122.85 2ipa s THR 74 Ca 0.36 0.77 -0.03 0.00 0.31 0.00 0.00 61.69 63.09 2ipa s THR 74 Cb -0.17 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 68.72 2ipa s THR 74 CO 0.13 0.01 0.16 -0.22 -0.69 0.00 0.00 174.62 174.01 2ipa s LEU 75 N -2.55 -0.07 -0.28 4.42 0.20 0.09 -0.14 118.68 120.35 2ipa s LEU 75 Ca 0.46 0.30 0.01 0.00 0.69 0.00 0.00 54.13 55.60 2ipa s LEU 75 Cb -0.12 0.26 0.06 0.00 -0.43 0.00 0.00 46.19 45.95 2ipa s LEU 75 CO 0.20 -0.25 -0.07 -0.76 -0.29 0.00 0.00 176.35 175.18 2ipa s LEU 76 N 2.29 3.65 0.00 -0.68 1.43 -0.10 -0.99 118.68 124.28 2ipa s LEU 76 Ca 0.03 -1.38 -0.17 0.00 -1.03 0.00 0.00 54.13 51.58 2ipa s LEU 76 Cb -0.12 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 2ipa s LEU 76 CO -0.06 -0.22 0.47 -0.69 0.23 0.00 0.00 176.35 176.08 2ipa s VAL 77 N 1.15 4.97 0.16 -1.59 1.01 0.40 -0.50 120.40 125.99 2ipa s VAL 77 Ca -0.07 0.97 0.07 0.00 0.00 0.00 0.00 61.98 62.95 2ipa s VAL 77 Cb -0.20 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2ipa s VAL 77 CO -0.04 0.53 -0.14 -0.76 0.00 0.00 0.00 175.10 174.69 2ipa s LEU 78 N -0.82 2.47 -0.03 3.92 1.02 0.24 -0.56 118.68 124.92 2ipa s LEU 78 Ca 0.26 -0.91 -0.00 0.00 0.02 0.00 0.00 54.13 53.50 2ipa s LEU 78 Cb -0.17 -0.60 0.03 0.00 0.02 0.00 0.00 46.19 45.47 2ipa s LEU 78 CO 0.15 -0.16 0.01 -0.54 0.02 0.00 0.00 176.35 175.82 2ipa s LYS 79 N -3.14 0.24 -1.24 1.70 1.02 0.00 -1.79 119.74 116.54 2ipa s LYS 79 Ca 0.15 0.13 -0.16 0.00 0.02 0.00 0.00 55.97 56.11 2ipa s LYS 79 Cb -0.03 -0.50 0.16 0.00 -0.52 0.00 0.00 37.83 36.94 2ipa s LYS 79 CO 0.04 -0.18 0.39 -3.47 -0.92 0.00 0.00 175.35 171.22 2ipa n ASP 80 N 4.38 -1.37 0.00 2.83 2.03 -0.06 -1.93 116.55 122.43 2ipa n ASP 80 Ca -0.22 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.35 2ipa n ASP 80 Cb 0.50 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 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 -0.85 1.72 3.26 0.27 0.00 -1.08 -4.70 105.19 103.81 2ipa n GLY 81 Ca 0.08 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 0.93 0.25 1.61 -1.05 -0.81 -4.82 118.70 114.81 2ipa s GLU 82 Ca 0.00 -0.75 -0.30 0.00 -0.15 0.00 0.00 54.97 53.77 2ipa s GLU 82 Cb 0.00 0.40 -0.10 0.00 -0.44 0.00 0.00 34.13 33.99 2ipa s GLU 82 CO 0.00 -0.33 1.47 0.08 0.95 0.00 0.00 175.26 177.43 2ipa s VAL 83 N -3.55 2.55 0.00 1.83 1.01 -1.26 -0.82 120.40 120.16 2ipa s VAL 83 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2ipa s VAL 83 Cb 0.02 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2ipa s VAL 83 CO -0.10 0.07 0.00 1.33 0.00 0.00 0.00 175.10 176.40 2ipa n VAL 84 N 2.36 0.00 -3.89 2.92 0.24 0.28 -4.89 118.33 115.35 2ipa n VAL 84 Ca 0.07 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.27 2ipa n VAL 84 Cb 0.40 -0.20 -0.09 0.00 -1.47 0.00 0.00 33.84 32.47 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 -1.82 0.58 -0.01 7.34 0.41 -1.07 -5.02 118.70 119.11 2ipa s GLU 85 Ca 0.00 -0.62 -0.06 0.00 -0.41 0.00 0.00 54.97 53.89 2ipa s GLU 85 Cb 0.00 0.24 0.00 0.00 -1.78 0.00 0.00 34.13 32.59 2ipa s GLU 85 CO 0.00 -0.15 0.12 0.99 -0.49 0.00 0.00 175.26 175.73 2ipa s THR 86 N -2.23 0.06 0.03 3.63 2.01 -1.26 -0.46 115.64 117.43 2ipa s THR 86 Ca -0.08 -0.51 -0.21 0.00 0.31 0.00 0.00 61.69 61.20 2ipa s THR 86 Cb -0.03 -0.34 0.05 0.00 0.01 0.00 0.00 72.50 72.18 2ipa s THR 86 CO -0.03 -0.28 0.48 -0.44 -0.69 0.00 0.00 174.62 173.67 2ipa s SER 87 N -0.96 -0.39 -0.39 3.53 0.01 -0.16 -5.01 113.70 110.33 2ipa s SER 87 Ca -0.10 0.17 0.08 0.00 1.31 0.00 0.00 55.95 57.40 2ipa s SER 87 Cb -0.06 0.46 0.25 0.00 0.21 0.00 0.00 66.02 66.88 2ipa s SER 87 CO 0.01 -0.67 0.53 0.52 0.41 0.00 0.00 173.24 174.04 2ipa n VAL 88 N 0.57 -0.64 0.00 3.43 0.31 -1.26 -0.73 118.33 120.00 2ipa n VAL 88 Ca -0.19 -4.04 0.00 0.00 -0.01 0.00 0.00 64.34 60.11 2ipa n VAL 88 Cb 0.59 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 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 1.39 1.91 3.76 2.92 0.00 -0.59 -4.83 105.19 109.74 2ipa n GLY 89 Ca 0.21 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 2.65 0.00 1.61 5.36 -1.26 -4.71 117.98 119.63 2ipa s PHE 90 Ca 0.00 1.45 0.01 0.00 -0.96 0.00 0.00 56.93 57.43 2ipa s PHE 90 Cb 0.00 -3.60 -0.01 0.00 -0.34 0.00 0.00 43.02 39.07 2ipa s PHE 90 CO 0.00 -2.15 -0.05 0.15 -1.46 0.00 0.00 175.22 171.71 2ipa s LYS 91 N -2.67 0.39 1.03 10.12 3.01 -1.26 -5.12 119.74 125.24 2ipa s LYS 91 Ca 0.65 -0.24 -0.12 0.00 -1.01 0.00 0.00 55.97 55.25 2ipa s LYS 91 Cb -0.35 -0.34 0.21 0.00 -1.01 0.00 0.00 37.83 36.34 2ipa s LYS 91 CO 0.43 0.09 1.08 -1.25 0.51 0.00 0.00 175.35 176.21 2ipa s PRO 92 N -0.30 0.17 0.22 -1.68 0.04 -1.26 -4.70 135.00 127.49 2ipa s PRO 92 Ca 0.00 0.57 -0.08 0.00 0.04 0.00 0.00 61.00 61.53 2ipa s PRO 92 Cb -0.03 -1.70 0.32 0.00 0.04 0.00 0.00 34.50 33.13 2ipa s PRO 92 CO -0.00 -2.92 1.75 -0.22 0.04 0.00 0.00 177.00 175.65 2ipa h LYS 93 N -2.03 0.45 -0.44 4.56 3.11 -1.96 -0.54 116.57 119.73 2ipa h LYS 93 Ca -0.56 -0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 57.16 2ipa h LYS 93 Cb 1.33 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.44 2ipa h LYS 93 CO 0.56 0.30 -0.09 0.93 -2.81 0.00 0.00 179.45 178.34 2ipa h GLU 94 N 0.47 0.84 -0.23 1.90 5.08 -1.97 -1.08 114.58 119.58 2ipa h GLU 94 Ca 0.34 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2ipa h GLU 94 Cb 0.41 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2ipa h GLU 94 CO -0.31 0.94 -0.19 0.00 -1.00 0.00 0.00 179.01 178.45 2ipa h ALA 95 N 0.87 1.24 0.24 3.43 0.00 -1.69 0.39 119.26 123.74 2ipa h ALA 95 Ca 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2ipa h ALA 95 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2ipa h ALA 95 CO 0.04 0.50 -0.11 1.25 0.00 0.00 0.00 179.25 180.92 2ipa h LEU 96 N 0.37 -0.27 -1.10 0.00 7.12 -0.86 -0.26 115.31 120.31 2ipa h LEU 96 Ca 0.06 -0.13 -0.04 0.00 0.13 0.00 0.00 57.88 57.90 2ipa h LEU 96 Cb 0.56 0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.73 2ipa h LEU 96 CO 0.04 -0.02 0.21 0.06 -0.13 0.00 0.00 178.44 178.60 2ipa h GLN 97 N -0.52 0.85 -0.30 1.25 3.07 -0.98 -1.53 115.11 116.96 2ipa h GLN 97 Ca -0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 58.65 58.56 2ipa h GLN 97 Cb 0.38 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 2ipa h GLN 97 CO 0.05 0.71 0.16 1.49 0.09 0.00 0.00 178.83 181.33 2ipa h GLU 98 N 0.84 0.42 -0.28 0.06 4.81 -0.85 0.15 114.58 119.73 2ipa h GLU 98 Ca 0.20 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.45 2ipa h GLU 98 Cb 0.19 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2ipa h GLU 98 CO -0.01 0.37 0.22 1.25 -0.73 0.00 0.00 179.01 180.10 2ipa h LEU 99 N 0.35 0.00 0.00 1.64 5.85 0.00 -1.60 115.31 121.56 2ipa h LEU 99 Ca 0.10 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.42 2ipa h LEU 99 Cb 0.08 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 2ipa h LEU 99 CO -0.02 0.00 -2.48 0.55 -0.34 0.00 0.00 178.44 176.15 2ipa n VAL 100 N -4.27 1.48 0.17 1.05 3.14 -1.04 -4.51 118.33 114.35 2ipa n VAL 100 Ca 0.04 -0.53 0.15 0.00 -2.96 0.00 0.00 64.34 61.04 2ipa n VAL 100 Cb 0.38 -1.51 0.75 0.00 -1.06 0.00 0.00 33.84 32.39 2ipa n VAL 100 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2ipa h ASN 101 N -0.21 0.00 -0.01 6.55 -1.24 -0.35 -0.31 115.58 120.01 2ipa h ASN 101 Ca -0.60 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.41 2ipa h ASN 101 Cb 1.83 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.88 2ipa h ASN 101 CO -0.16 0.00 0.02 0.07 -1.29 0.00 0.00 177.43 176.07 2ipa h LYS 102 N 0.00 0.00 0.00 6.67 2.10 -1.53 -3.26 116.57 120.55 2ipa h LYS 102 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2ipa h LYS 102 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2ipa h LYS 102 CO -0.00 0.00 -0.27 -2.39 -2.00 0.00 0.00 179.45 174.79 2ipa n HIS 103 N -3.44 0.00 0.30 0.07 1.44 -0.58 -5.15 115.22 107.85 2ipa n HIS 103 Ca -0.03 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.71 2ipa n HIS 103 Cb 0.10 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.35 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42