#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 -1.89 -0.68 3.04 0.00 -1.26 -5.04 121.76 115.93 2ipa s ALA 2 Ca 0.00 1.52 -0.21 0.00 0.00 0.00 0.00 51.96 53.27 2ipa s ALA 2 Cb 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 23.12 22.70 2ipa s ALA 2 CO 0.00 -0.33 0.90 0.42 0.00 0.00 0.00 175.76 176.76 2ipa s ILE 3 N -1.11 4.57 0.80 0.00 1.09 -1.26 -3.93 121.20 121.36 2ipa s ILE 3 Ca -0.04 -0.79 -0.12 0.00 -1.10 0.00 0.00 60.65 58.60 2ipa s ILE 3 Cb -0.00 -4.63 0.07 0.00 -1.06 0.00 0.00 42.46 36.83 2ipa s ILE 3 CO 0.04 -1.35 1.10 -0.69 -0.10 0.00 0.00 174.94 173.94 2ipa s VAL 4 N 3.34 2.97 -0.16 2.92 1.01 -0.12 -4.90 120.40 125.45 2ipa s VAL 4 Ca 0.20 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.51 2ipa s VAL 4 Cb -0.17 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.13 2ipa s VAL 4 CO 0.05 -0.41 -0.20 -1.59 0.00 0.00 0.00 175.10 172.95 2ipa s LYS 5 N -5.20 3.02 0.77 2.72 0.00 -1.26 -0.71 119.74 119.08 2ipa s LYS 5 Ca 0.61 -0.83 -0.08 0.00 0.00 0.00 0.00 55.97 55.67 2ipa s LYS 5 Cb -0.14 -2.54 0.10 0.00 0.00 0.00 0.00 37.83 35.25 2ipa s LYS 5 CO 0.54 -0.12 1.09 0.00 0.00 0.00 0.00 175.35 176.85 2ipa s ALA 6 N 1.09 2.99 0.23 0.59 0.00 0.07 -4.88 121.76 121.86 2ipa s ALA 6 Ca -0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 2ipa s ALA 6 Cb -0.14 -2.60 0.04 0.00 0.00 0.00 0.00 23.12 20.42 2ipa s ALA 6 CO -0.08 -1.58 0.53 -2.37 0.00 0.00 0.00 175.76 172.26 2ipa n THR 7 N -3.12 0.00 -0.28 0.00 5.66 -1.26 -4.76 114.28 110.53 2ipa n THR 7 Ca 0.10 -0.59 0.23 0.00 -3.05 0.00 0.00 64.05 60.73 2ipa n THR 7 Cb 0.60 0.61 0.42 0.00 -1.55 0.00 0.00 70.33 70.42 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 -1.30 0.18 0.00 1.09 2.03 -1.26 -1.02 116.55 116.27 2ipa n ASP 8 Ca -0.05 1.42 0.00 0.00 0.52 0.00 0.00 54.79 56.68 2ipa n ASP 8 Cb 0.38 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 2ipa n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ipa n GLN 9 N -5.01 2.91 0.30 -0.67 6.02 -1.26 -4.65 117.38 115.02 2ipa n GLN 9 Ca 0.28 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.44 2ipa n GLN 9 Cb 0.96 -0.87 0.93 0.00 1.02 0.00 0.00 30.24 32.28 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 -0.06 1.08 0.02 -1.89 -1.61 113.55 111.09 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 0.72 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 2ipa h SER 10 CO 0.00 0.04 -0.27 0.15 -1.14 0.00 0.00 176.83 175.60 2ipa h PHE 11 N 0.00 -0.74 -0.45 3.45 3.57 -1.35 -0.23 116.94 121.20 2ipa h PHE 11 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2ipa h PHE 11 Cb 0.14 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2ipa h PHE 11 CO 0.00 -0.36 0.25 0.77 -2.23 0.00 0.00 178.31 176.74 2ipa h SER 12 N -0.38 0.56 -0.76 0.41 0.02 -1.57 -2.12 113.55 109.70 2ipa h SER 12 Ca 0.08 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2ipa h SER 12 Cb 0.50 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 2ipa h SER 12 CO -0.28 0.48 0.38 0.00 -1.14 0.00 0.00 176.83 176.28 2ipa h ALA 13 N 1.10 1.22 0.00 3.77 0.00 -1.09 -0.76 119.26 123.51 2ipa h ALA 13 Ca 0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2ipa h ALA 13 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2ipa h ALA 13 CO -0.03 0.60 -0.22 0.93 0.00 0.00 0.00 179.25 180.54 2ipa h GLU 14 N 1.09 0.00 -0.01 0.00 4.39 -0.85 -3.33 114.58 115.87 2ipa h GLU 14 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2ipa h GLU 14 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2ipa h GLU 14 CO -0.04 0.22 -0.43 0.25 -1.16 0.00 0.00 179.01 177.85 2ipa n THR 15 N -3.26 0.00 0.57 1.13 -2.24 -0.63 -4.53 114.28 105.33 2ipa n THR 15 Ca 0.01 -0.28 0.08 0.00 -2.27 0.00 0.00 64.05 61.59 2ipa n THR 15 Cb 0.50 1.11 0.37 0.00 -2.10 0.00 0.00 70.33 70.21 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 -0.57 0.04 -3.89 3.42 7.64 -0.39 -1.79 113.62 118.08 2ipa n SER 16 Ca 0.05 0.51 -0.11 0.00 1.01 0.00 0.00 58.87 60.33 2ipa n SER 16 Cb 0.28 -0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 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 -3.02 0.35 0.89 1.43 2.02 -1.26 -3.21 118.70 115.90 2ipa s GLU 17 Ca 0.08 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2ipa s GLU 17 Cb 0.11 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.48 2ipa s GLU 17 CO 0.32 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.93 2ipa n GLY 18 N 1.90 -1.72 3.75 -1.39 0.00 -1.26 -4.62 105.19 101.84 2ipa n GLY 18 Ca -0.20 -1.23 -0.38 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 -0.90 5.17 -0.10 1.61 1.01 -1.26 -0.74 120.40 125.20 2ipa s VAL 19 Ca 0.00 0.83 -0.03 0.00 0.00 0.00 0.00 61.98 62.78 2ipa s VAL 19 Cb 0.00 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.68 2ipa s VAL 19 CO 0.00 0.41 0.10 -0.69 0.00 0.00 0.00 175.10 174.92 2ipa s VAL 20 N 0.12 -0.16 -0.08 2.92 1.01 0.11 -2.70 120.40 121.63 2ipa s VAL 20 Ca 0.23 0.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.16 2ipa s VAL 20 Cb -0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2ipa s VAL 20 CO 0.10 0.03 0.90 -0.22 0.00 0.00 0.00 175.10 175.90 2ipa s LEU 21 N 2.20 4.28 -0.04 3.92 1.98 -0.12 -0.75 118.68 130.15 2ipa s LEU 21 Ca 0.04 1.43 0.06 0.00 -2.89 0.00 0.00 54.13 52.76 2ipa s LEU 21 Cb -0.13 -3.40 -0.02 0.00 0.66 0.00 0.00 46.19 43.30 2ipa s LEU 21 CO -0.06 -0.31 -0.21 0.00 -1.89 0.00 0.00 176.35 173.88 2ipa s ALA 22 N 1.50 2.38 0.04 5.97 0.00 0.17 -0.84 121.76 130.98 2ipa s ALA 22 Ca 0.45 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2ipa s ALA 22 Cb -0.19 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 2ipa s ALA 22 CO 0.20 0.51 -0.10 0.34 0.00 0.00 0.00 175.76 176.70 2ipa s ASP 23 N -0.54 1.20 -0.18 0.00 2.15 -0.30 -0.98 116.67 118.03 2ipa s ASP 23 Ca 0.07 -0.45 -0.00 0.00 0.43 0.00 0.00 52.55 52.60 2ipa s ASP 23 Cb -0.11 -0.04 0.04 0.00 -0.30 0.00 0.00 42.92 42.51 2ipa s ASP 23 CO 0.01 -0.06 -0.06 -0.36 -0.17 0.00 0.00 175.17 174.53 2ipa s PHE 24 N -0.98 1.86 0.10 -5.34 0.40 0.23 -0.82 117.98 113.44 2ipa s PHE 24 Ca -0.03 -1.23 0.04 0.00 -0.60 0.00 0.00 56.93 55.11 2ipa s PHE 24 Cb -0.08 -1.38 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 2ipa s PHE 24 CO 0.01 -0.65 -0.10 1.67 0.70 0.00 0.00 175.22 176.85 2ipa s TRP 25 N 1.58 1.08 -0.08 0.36 1.48 -0.85 -2.56 118.94 119.95 2ipa s TRP 25 Ca -0.00 -0.68 -0.32 0.00 -1.06 0.00 0.00 56.10 54.03 2ipa s TRP 25 Cb -0.16 -0.59 0.13 0.00 -1.16 0.00 0.00 33.47 31.70 2ipa s TRP 25 CO -0.08 0.00 1.30 0.00 -4.06 0.00 0.00 176.95 174.12 2ipa s ALA 26 N -2.61 -2.24 -0.13 2.67 0.00 -1.26 -2.00 121.76 116.18 2ipa s ALA 26 Ca 0.07 1.00 0.09 0.00 0.00 0.00 0.00 51.96 53.13 2ipa s ALA 26 Cb -0.02 0.19 0.51 0.00 0.00 0.00 0.00 23.12 23.80 2ipa s ALA 26 CO -0.00 -0.93 1.15 -2.30 0.00 0.00 0.00 175.76 173.68 2ipa n PRO 27 N -0.38 0.06 0.33 0.00 -0.02 -1.26 -2.70 135.00 131.04 2ipa n PRO 27 Ca -0.06 0.49 0.22 0.00 -2.02 0.00 0.00 63.50 62.13 2ipa n PRO 27 Cb 0.62 -2.00 1.19 0.00 -0.02 0.00 0.00 33.50 33.29 2ipa n PRO 27 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2ipa h TRP 28 N 0.00 0.00 -3.48 6.00 4.06 -1.97 -3.45 115.95 117.11 2ipa h TRP 28 Ca 0.00 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.82 2ipa h TRP 28 Cb 0.58 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 28.55 2ipa h TRP 28 CO 0.00 0.00 -0.42 0.00 -3.56 0.00 0.00 178.44 174.46 2ipa h GLY 30 N 3.86 0.10 0.38 0.00 0.00 -1.88 -3.08 103.07 102.45 2ipa h GLY 30 Ca -0.31 -0.05 0.20 0.00 0.00 0.00 0.00 47.33 47.16 2ipa h GLY 30 CO 0.44 0.05 0.62 -2.55 0.00 0.00 0.00 176.54 175.10 2ipa h PRO 31 N -0.07 0.00 -0.01 4.80 0.11 -1.97 0.76 132.00 135.62 2ipa h PRO 31 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2ipa h PRO 31 Cb 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 2ipa h PRO 31 CO -0.00 0.00 0.07 0.77 -0.21 0.00 0.00 178.00 178.63 2ipa h SER 32 N 0.00 0.00 -0.44 -2.05 0.02 -1.80 0.30 113.55 109.58 2ipa h SER 32 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2ipa h SER 32 Cb 1.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.09 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 -3.17 2.99 0.00 3.45 4.01 0.26 -3.69 118.16 122.01 2ipa n LYS 33 Ca -0.03 -2.39 0.00 0.00 -0.51 0.00 0.00 58.31 55.38 2ipa n LYS 33 Cb 0.14 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.16 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 0.04 1.97 2.81 -0.09 -4.50 117.12 117.98 2ipa n MET 34 Ca 0.17 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.09 2ipa n MET 34 Cb 0.59 -0.77 0.40 0.00 -0.71 0.00 0.00 33.22 32.74 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 0.77 2.02 6.09 -0.75 -2.20 117.51 124.58 2ipa h ILE 35 Ca 0.00 -0.44 -0.04 0.00 -1.37 0.00 0.00 64.86 63.01 2ipa h ILE 35 Cb 0.89 0.77 0.01 0.00 0.47 0.00 0.00 36.82 38.96 2ipa h ILE 35 CO 0.00 0.16 -0.37 0.00 -3.07 0.00 0.00 178.15 174.87 2ipa h ALA 36 N 1.68 -1.03 -0.95 0.18 0.00 -1.73 0.45 119.26 117.85 2ipa h ALA 36 Ca 0.11 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2ipa h ALA 36 Cb 0.12 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2ipa h ALA 36 CO -0.01 -1.08 0.63 -1.00 0.00 0.00 0.00 179.25 177.79 2ipa h PRO 37 N -1.05 1.22 -0.91 0.00 0.13 -1.78 -1.71 132.00 127.90 2ipa h PRO 37 Ca -0.11 -0.07 0.10 0.00 -0.87 0.00 0.00 66.00 65.05 2ipa h PRO 37 Cb 0.80 -0.28 -0.08 0.00 0.13 0.00 0.00 31.00 31.57 2ipa h PRO 37 CO 0.17 0.81 0.56 0.28 -0.23 0.00 0.00 178.00 179.59 2ipa h VAL 38 N 1.26 0.95 -0.38 1.56 2.07 -1.19 0.08 116.25 120.60 2ipa h VAL 38 Ca 0.36 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 2ipa h VAL 38 Cb -0.09 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.60 2ipa h VAL 38 CO -0.09 0.17 -0.03 -0.07 0.02 0.00 0.00 177.57 177.56 2ipa h LEU 39 N 0.93 0.69 -0.91 2.57 4.07 -0.01 0.91 115.31 123.57 2ipa h LEU 39 Ca 0.43 -0.33 -0.09 0.00 0.08 0.00 0.00 57.88 57.97 2ipa h LEU 39 Cb 0.36 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 2ipa h LEU 39 CO -0.24 0.85 -0.20 -0.33 -1.08 0.00 0.00 178.44 177.44 2ipa h GLU 40 N 0.50 0.57 -0.46 1.13 5.08 -0.89 0.73 114.58 121.24 2ipa h GLU 40 Ca 0.10 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 2ipa h GLU 40 Cb 0.52 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2ipa h GLU 40 CO 0.03 0.74 -0.24 0.93 -1.00 0.00 0.00 179.01 179.46 2ipa h GLU 41 N 0.51 0.99 -0.28 2.33 4.39 -0.85 -2.29 114.58 119.37 2ipa h GLU 41 Ca 0.08 -0.44 -0.03 0.00 0.34 0.00 0.00 59.36 59.31 2ipa h GLU 41 Cb 0.64 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2ipa h GLU 41 CO 0.05 1.11 0.07 1.25 -1.16 0.00 0.00 179.01 180.33 2ipa h LEU 42 N 0.84 0.43 -0.29 1.33 5.85 -0.47 -3.02 115.31 119.98 2ipa h LEU 42 Ca 0.10 -0.23 -0.17 0.00 0.84 0.00 0.00 57.88 58.42 2ipa h LEU 42 Cb 0.83 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 2ipa h LEU 42 CO 0.07 0.55 -0.47 -0.78 -0.34 0.00 0.00 178.44 177.47 2ipa h ASP 43 N 0.29 0.91 0.36 1.25 3.58 -0.84 -0.22 116.42 121.74 2ipa h ASP 43 Ca 0.09 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2ipa h ASP 43 Cb 0.29 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2ipa h ASP 43 CO 0.00 1.26 0.00 0.00 -2.88 0.00 0.00 179.24 177.62 2ipa n GLN 44 N -4.09 0.16 -0.12 0.28 10.64 -0.87 -0.19 117.38 123.19 2ipa n GLN 44 Ca -0.04 0.17 -0.24 0.00 -1.83 0.00 0.00 57.00 55.05 2ipa n GLN 44 Cb 0.59 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.37 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 0.54 -0.14 2.61 2.13 -0.82 -4.82 120.64 118.80 2ipa n GLU 45 Ca 0.06 0.21 0.01 0.00 0.66 0.00 0.00 57.16 58.10 2ipa n GLU 45 Cb 0.14 -1.41 0.01 0.00 0.27 0.00 0.00 31.44 30.45 2ipa n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ipa n MET 46 N -3.87 0.62 0.00 5.31 0.00 -0.16 -4.78 117.12 114.25 2ipa n MET 46 Ca -0.47 -1.00 0.00 0.00 0.00 0.00 0.00 57.70 56.23 2ipa n MET 46 Cb 0.87 -0.68 0.00 0.00 0.00 0.00 0.00 33.22 33.42 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 -0.22 -0.48 0.12 3.17 0.00 0.73 -1.34 105.19 107.17 2ipa n GLY 47 Ca 0.02 0.00 0.00 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 0.04 0.00 0.00 1.61 3.58 -1.86 -0.85 116.42 118.93 2ipa h ASP 48 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2ipa h ASP 48 Cb 0.03 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2ipa h ASP 48 CO 0.00 0.62 -1.72 0.29 -2.88 0.00 0.00 179.24 175.54 2ipa n LYS 49 N -3.22 1.09 -4.37 0.28 4.01 -0.45 -4.97 118.16 110.52 2ipa n LYS 49 Ca 0.01 -0.07 -0.24 0.00 -0.51 0.00 0.00 58.31 57.49 2ipa n LYS 49 Cb 0.79 -1.32 -0.13 0.00 -0.51 0.00 0.00 35.03 33.86 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 -4.37 2.26 -0.02 -0.35 2.96 -1.08 -4.75 118.68 113.33 2ipa s LEU 50 Ca -0.05 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 53.21 2ipa s LEU 50 Cb 0.06 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.83 2ipa s LEU 50 CO 0.54 0.08 0.07 -0.75 -1.32 0.00 0.00 176.35 174.97 2ipa s LYS 51 N -1.69 3.07 -0.03 1.98 2.20 -1.10 -4.41 119.74 119.76 2ipa s LYS 51 Ca 0.06 -0.46 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 2ipa s LYS 51 Cb -0.10 -2.86 -0.01 0.00 -1.51 0.00 0.00 37.83 33.35 2ipa s LYS 51 CO 0.03 0.66 -0.16 0.42 -0.36 0.00 0.00 175.35 175.94 2ipa s ILE 52 N -1.14 1.31 0.01 5.43 1.01 -1.25 -0.95 121.20 125.62 2ipa s ILE 52 Ca 0.21 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2ipa s ILE 52 Cb -0.12 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 2ipa s ILE 52 CO 0.12 0.38 -0.03 -0.69 0.00 0.00 0.00 174.94 174.72 2ipa s VAL 53 N -0.16 0.16 0.22 2.92 1.01 -0.02 -0.95 120.40 123.58 2ipa s VAL 53 Ca 0.01 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.58 2ipa s VAL 53 Cb -0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 2ipa s VAL 53 CO 0.01 -0.23 -0.20 -0.54 0.00 0.00 0.00 175.10 174.14 2ipa s LYS 54 N -0.78 1.49 -0.10 2.72 1.02 0.11 -1.14 119.74 123.06 2ipa s LYS 54 Ca -0.07 -1.59 0.02 0.00 0.02 0.00 0.00 55.97 54.35 2ipa s LYS 54 Cb -0.05 -1.60 0.01 0.00 -0.52 0.00 0.00 37.83 35.67 2ipa s LYS 54 CO -0.00 0.32 -0.16 0.42 -0.92 0.00 0.00 175.35 175.00 2ipa s ILE 55 N -2.22 1.49 -0.50 2.17 -1.09 -0.00 -0.75 121.20 120.30 2ipa s ILE 55 Ca 0.23 -0.66 -0.23 0.00 -2.23 0.00 0.00 60.65 57.76 2ipa s ILE 55 Cb -0.05 -1.34 0.04 0.00 -1.58 0.00 0.00 42.46 39.52 2ipa s ILE 55 CO 0.10 0.44 0.85 -0.62 -1.23 0.00 0.00 174.94 174.48 2ipa s ASP 56 N 0.80 6.36 0.00 3.58 -1.08 -1.26 -2.01 116.67 123.06 2ipa s ASP 56 Ca -0.11 -0.31 0.00 0.00 -0.52 0.00 0.00 52.55 51.61 2ipa s ASP 56 Cb -0.16 -2.40 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 2ipa s ASP 56 CO 0.02 -1.07 1.62 1.33 0.52 0.00 0.00 175.17 177.59 2ipa n VAL 57 N 6.12 1.62 0.00 1.11 0.24 -0.85 -1.26 118.33 125.31 2ipa n VAL 57 Ca 0.01 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2ipa n VAL 57 Cb 0.47 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 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 1.58 0.00 0.08 -1.34 2.03 -1.26 -4.73 116.55 112.91 2ipa n ASP 58 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 2ipa n ASP 58 Cb 0.41 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.66 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 -0.30 -0.67 4.81 -1.93 -3.41 114.58 113.47 2ipa h GLU 59 Ca 0.00 -0.67 -0.23 0.00 -0.13 0.00 0.00 59.36 58.34 2ipa h GLU 59 Cb 0.00 0.25 -0.39 0.00 0.63 0.00 0.00 28.75 29.24 2ipa h GLU 59 CO 0.00 1.32 -1.07 0.27 -0.73 0.00 0.00 179.01 178.80 2ipa n ASN 60 N -3.87 1.51 0.00 1.04 0.23 -0.39 -4.91 115.26 108.86 2ipa n ASN 60 Ca -0.19 -2.11 0.07 0.00 -0.53 0.00 0.00 54.58 51.83 2ipa n ASN 60 Cb 0.97 -0.42 0.38 0.00 -2.08 0.00 0.00 39.78 38.63 2ipa n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ipa n GLN 61 N -0.26 0.18 -0.25 -3.83 10.64 -1.06 -3.73 117.38 119.06 2ipa n GLN 61 Ca 0.08 0.16 0.05 0.00 -1.83 0.00 0.00 57.00 55.46 2ipa n GLN 61 Cb 0.92 -1.50 0.18 0.00 -0.86 0.00 0.00 30.24 28.97 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 0.36 -0.66 2.61 3.07 -1.91 0.71 114.58 118.77 2ipa h GLU 62 Ca 0.00 -0.02 0.09 0.00 -0.50 0.00 0.00 59.36 58.93 2ipa h GLU 62 Cb 0.17 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 27.92 2ipa h GLU 62 CO 0.00 0.24 0.30 1.15 -1.40 0.00 0.00 179.01 179.30 2ipa h THR 63 N 0.37 0.82 0.32 1.13 2.02 -1.83 -0.13 112.91 115.61 2ipa h THR 63 Ca 0.40 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.39 2ipa h THR 63 Cb 0.64 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2ipa h THR 63 CO -0.44 0.10 -0.15 0.00 0.37 0.00 0.00 175.52 175.40 2ipa h ALA 64 N 1.42 -0.43 -0.69 6.16 0.00 -1.18 -0.54 119.26 123.99 2ipa h ALA 64 Ca 0.33 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.20 2ipa h ALA 64 Cb 0.36 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 2ipa h ALA 64 CO -0.28 -0.46 0.18 0.78 0.00 0.00 0.00 179.25 179.48 2ipa h GLY 65 N -0.99 0.95 0.98 0.00 0.00 -1.23 0.03 103.07 102.82 2ipa h GLY 65 Ca -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 2ipa h GLY 65 CO 0.07 -0.15 0.23 1.70 0.00 0.00 0.00 176.54 178.40 2ipa h LYS 66 N 0.30 0.82 -0.15 4.80 3.64 -0.95 -2.52 116.57 122.50 2ipa h LYS 66 Ca 0.38 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 2ipa h LYS 66 Cb 0.60 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2ipa h LYS 66 CO -0.45 0.70 -0.38 -0.92 -2.27 0.00 0.00 179.45 176.13 2ipa h TYR 67 N 0.75 0.39 -0.68 1.91 3.20 -0.57 -3.48 116.97 118.50 2ipa h TYR 67 Ca 0.19 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2ipa h TYR 67 Cb 0.18 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2ipa h TYR 67 CO 0.00 0.67 0.00 0.41 -1.64 0.00 0.00 178.16 177.61 2ipa n GLY 68 N -0.20 0.74 0.19 1.82 0.00 -0.14 -5.08 105.19 102.52 2ipa n GLY 68 Ca -0.01 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 2ipa n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ipa n VAL 69 N -0.28 1.27 -0.42 1.61 0.31 -0.39 -4.98 118.33 115.45 2ipa n VAL 69 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 2ipa n VAL 69 Cb 0.11 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 30.89 2ipa n VAL 69 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2ipa n MET 70 N -4.11 -1.56 -4.12 5.55 0.00 -1.26 -4.87 117.12 106.76 2ipa n MET 70 Ca -0.11 0.18 -0.09 0.00 0.00 0.00 0.00 57.70 57.69 2ipa n MET 70 Cb 0.40 -3.45 -0.10 0.00 0.00 0.00 0.00 33.22 30.07 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 -0.94 0.33 0.01 3.17 1.04 -1.26 -5.13 113.70 110.91 2ipa s SER 71 Ca 0.00 -1.12 -0.04 0.00 0.48 0.00 0.00 55.95 55.27 2ipa s SER 71 Cb 0.00 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 2ipa s SER 71 CO 0.00 -0.71 0.07 -0.63 0.98 0.00 0.00 173.24 172.95 2ipa s ILE 72 N -4.01 0.09 0.11 -1.02 -1.09 -1.26 -4.14 121.20 109.89 2ipa s ILE 72 Ca 0.19 -0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 57.55 2ipa s ILE 72 Cb 0.07 -0.35 -0.06 0.00 -1.58 0.00 0.00 42.46 40.54 2ipa s ILE 72 CO -0.01 -0.42 0.98 -2.16 -1.23 0.00 0.00 174.94 172.10 2ipa s PRO 73 N -1.37 4.68 0.05 2.79 0.04 -1.26 -4.73 135.00 135.19 2ipa s PRO 73 Ca -0.15 1.49 0.05 0.00 0.04 0.00 0.00 61.00 62.43 2ipa s PRO 73 Cb -0.08 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 2ipa s PRO 73 CO 0.00 0.18 -0.09 0.99 0.04 0.00 0.00 177.00 178.12 2ipa s THR 74 N 0.04 3.44 -0.09 1.26 2.01 -1.06 -0.98 115.64 120.26 2ipa s THR 74 Ca 0.48 -1.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.45 2ipa s THR 74 Cb -0.24 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 69.75 2ipa s THR 74 CO 0.30 0.27 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.23 2ipa s LEU 75 N -1.76 1.04 -0.28 4.42 2.96 -0.10 -0.60 118.68 124.37 2ipa s LEU 75 Ca 0.19 -0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 2ipa s LEU 75 Cb -0.11 -0.68 0.04 0.00 0.50 0.00 0.00 46.19 45.94 2ipa s LEU 75 CO 0.10 -0.13 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.22 2ipa s LEU 76 N 1.66 3.59 -0.19 -0.68 1.43 -0.15 -1.39 118.68 122.95 2ipa s LEU 76 Ca 0.02 -1.10 -0.14 0.00 -1.03 0.00 0.00 54.13 51.88 2ipa s LEU 76 Cb -0.13 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2ipa s LEU 76 CO -0.06 -0.20 0.31 -0.69 0.23 0.00 0.00 176.35 175.94 2ipa s VAL 77 N 1.28 5.27 0.17 -1.59 1.01 0.18 -0.66 120.40 126.07 2ipa s VAL 77 Ca -0.03 0.54 0.08 0.00 0.00 0.00 0.00 61.98 62.57 2ipa s VAL 77 Cb -0.18 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2ipa s VAL 77 CO -0.03 0.33 -0.16 -0.76 0.00 0.00 0.00 175.10 174.48 2ipa s LEU 78 N 0.92 2.47 -0.09 3.92 1.02 0.07 -0.68 118.68 126.31 2ipa s LEU 78 Ca 0.16 -0.91 -0.08 0.00 0.02 0.00 0.00 54.13 53.32 2ipa s LEU 78 Cb -0.14 -0.73 0.02 0.00 0.02 0.00 0.00 46.19 45.37 2ipa s LEU 78 CO 0.05 -0.10 0.24 -1.59 0.02 0.00 0.00 176.35 174.97 2ipa s LYS 79 N -3.06 0.28 -0.49 1.70 -2.85 0.21 -0.71 119.74 114.82 2ipa s LYS 79 Ca 0.17 0.33 -0.01 0.00 -1.00 0.00 0.00 55.97 55.46 2ipa s LYS 79 Cb -0.04 0.14 0.01 0.00 -2.06 0.00 0.00 37.83 35.88 2ipa s LYS 79 CO 0.06 -0.03 0.03 -3.47 0.10 0.00 0.00 175.35 172.04 2ipa n ASP 80 N 2.94 -2.24 0.00 0.03 2.03 0.09 -1.36 116.55 118.04 2ipa n ASP 80 Ca -0.13 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2ipa n ASP 80 Cb 0.58 -1.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.00 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 -0.65 0.85 3.12 0.27 0.00 -0.74 -4.70 105.19 103.33 2ipa n GLY 81 Ca -0.05 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.64 0.73 0.19 1.61 -1.05 -0.47 -4.92 118.70 114.16 2ipa s GLU 82 Ca 0.00 -0.80 -0.30 0.00 -0.15 0.00 0.00 54.97 53.72 2ipa s GLU 82 Cb 0.00 -0.66 -0.08 0.00 -0.44 0.00 0.00 34.13 32.94 2ipa s GLU 82 CO 0.00 0.15 1.23 0.08 0.95 0.00 0.00 175.26 177.67 2ipa s VAL 83 N -1.13 3.47 0.00 1.83 1.01 -1.26 -0.62 120.40 123.70 2ipa s VAL 83 Ca -0.03 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2ipa s VAL 83 Cb -0.09 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2ipa s VAL 83 CO 0.01 0.19 0.00 0.55 0.00 0.00 0.00 175.10 175.86 2ipa n VAL 84 N 2.53 0.00 -3.85 2.92 3.14 0.15 -4.90 118.33 118.32 2ipa n VAL 84 Ca 0.05 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.33 2ipa n VAL 84 Cb 0.44 0.12 -0.08 0.00 -1.06 0.00 0.00 33.84 33.26 2ipa n VAL 84 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2ipa s GLU 85 N -1.75 0.73 -0.15 1.45 0.41 -0.96 -5.03 118.70 113.40 2ipa s GLU 85 Ca 0.00 -0.72 -0.10 0.00 -0.41 0.00 0.00 54.97 53.74 2ipa s GLU 85 Cb 0.00 0.30 0.05 0.00 -1.78 0.00 0.00 34.13 32.70 2ipa s GLU 85 CO 0.00 -0.22 0.36 0.99 -0.49 0.00 0.00 175.26 175.91 2ipa s THR 86 N -2.90 -0.02 0.17 3.63 2.01 -1.26 -0.65 115.64 116.62 2ipa s THR 86 Ca -0.02 0.07 -0.16 0.00 0.31 0.00 0.00 61.69 61.88 2ipa s THR 86 Cb 0.01 -0.53 0.03 0.00 0.01 0.00 0.00 72.50 72.01 2ipa s THR 86 CO -0.06 0.03 0.46 -0.94 -0.69 0.00 0.00 174.62 173.42 2ipa s SER 87 N 0.94 -0.22 -0.12 3.53 1.04 -0.48 -5.03 113.70 113.35 2ipa s SER 87 Ca -0.06 -0.47 -0.04 0.00 0.48 0.00 0.00 55.95 55.86 2ipa s SER 87 Cb -0.07 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.63 2ipa s SER 87 CO -0.07 -0.97 0.08 0.54 0.98 0.00 0.00 173.24 173.79 2ipa s VAL 88 N -3.86 -0.09 0.00 5.02 0.11 -1.26 -0.92 120.40 119.40 2ipa s VAL 88 Ca 0.08 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2ipa s VAL 88 Cb 0.00 -0.42 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 2ipa s VAL 88 CO -0.05 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.22 2ipa n GLY 89 N 5.28 4.21 3.77 6.54 0.00 -0.15 -4.94 105.19 119.89 2ipa n GLY 89 Ca -0.06 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 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 2.81 -0.00 1.61 5.36 -1.26 -4.83 117.98 119.67 2ipa s PHE 90 Ca 0.00 1.39 0.02 0.00 -0.96 0.00 0.00 56.93 57.38 2ipa s PHE 90 Cb 0.00 -3.71 -0.01 0.00 -0.34 0.00 0.00 43.02 38.96 2ipa s PHE 90 CO 0.00 -2.17 -0.08 0.15 -1.46 0.00 0.00 175.22 171.66 2ipa s LYS 91 N -2.19 0.60 1.06 10.12 3.01 -1.26 -5.11 119.74 125.97 2ipa s LYS 91 Ca 0.56 -0.30 -0.13 0.00 -1.01 0.00 0.00 55.97 55.09 2ipa s LYS 91 Cb -0.39 -0.57 0.22 0.00 -1.01 0.00 0.00 37.83 36.08 2ipa s LYS 91 CO 0.51 0.15 1.07 -1.25 0.51 0.00 0.00 175.35 176.34 2ipa s PRO 92 N -0.27 -0.08 0.20 -1.68 0.04 -1.26 -4.68 135.00 127.27 2ipa s PRO 92 Ca 0.02 0.62 -0.14 0.00 0.04 0.00 0.00 61.00 61.54 2ipa s PRO 92 Cb -0.03 -1.67 0.20 0.00 0.04 0.00 0.00 34.50 33.04 2ipa s PRO 92 CO -0.00 -3.10 1.63 -0.22 0.04 0.00 0.00 177.00 175.35 2ipa h LYS 93 N -2.16 -0.00 -0.26 4.56 3.11 -1.96 -0.87 116.57 118.99 2ipa h LYS 93 Ca -0.57 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.16 2ipa h LYS 93 Cb 1.33 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.56 2ipa h LYS 93 CO 0.55 -0.00 -0.26 0.93 -2.81 0.00 0.00 179.45 177.86 2ipa h GLU 94 N -0.00 0.64 -0.73 1.90 5.08 -1.98 -0.72 114.58 118.77 2ipa h GLU 94 Ca 0.28 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2ipa h GLU 94 Cb 0.43 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2ipa h GLU 94 CO -0.60 0.94 0.36 0.00 -1.00 0.00 0.00 179.01 178.72 2ipa h ALA 95 N 0.69 1.27 -0.14 3.43 0.00 -1.78 0.38 119.26 123.10 2ipa h ALA 95 Ca 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2ipa h ALA 95 Cb 0.83 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ipa h ALA 95 CO 0.07 0.57 -0.07 1.25 0.00 0.00 0.00 179.25 181.06 2ipa h LEU 96 N 1.03 0.31 -1.10 0.00 5.85 -0.94 -0.89 115.31 119.56 2ipa h LEU 96 Ca 0.25 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 2ipa h LEU 96 Cb 0.08 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2ipa h LEU 96 CO -0.04 0.66 0.10 0.06 -0.34 0.00 0.00 178.44 178.89 2ipa h GLN 97 N -0.04 0.74 -0.23 1.25 3.07 -0.93 -2.46 115.11 116.51 2ipa h GLN 97 Ca 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 58.65 58.61 2ipa h GLN 97 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.98 2ipa h GLN 97 CO 0.02 0.68 0.08 1.49 0.09 0.00 0.00 178.83 181.19 2ipa h GLU 98 N 0.72 0.35 -0.94 0.06 4.81 -0.79 0.40 114.58 119.19 2ipa h GLU 98 Ca 0.16 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2ipa h GLU 98 Cb 0.29 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 2ipa h GLU 98 CO -0.00 0.42 0.61 1.25 -0.73 0.00 0.00 179.01 180.56 2ipa h LEU 99 N 0.21 0.99 0.21 1.64 5.85 -0.72 -1.25 115.31 122.24 2ipa h LEU 99 Ca 0.08 -0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.49 2ipa h LEU 99 Cb 0.21 -0.22 0.03 0.00 0.37 0.00 0.00 40.66 41.05 2ipa h LEU 99 CO -0.00 0.66 -1.39 1.62 -0.34 0.00 0.00 178.44 178.99 2ipa h VAL 100 N 1.14 1.24 -0.64 1.05 3.04 -1.43 -3.34 116.25 117.31 2ipa h VAL 100 Ca 0.38 -2.60 0.16 0.00 -1.01 0.00 0.00 66.70 63.63 2ipa h VAL 100 Cb 0.08 3.00 -0.03 0.00 -2.01 0.00 0.00 31.29 32.33 2ipa h VAL 100 CO -0.13 0.79 0.45 -1.13 -1.01 0.00 0.00 177.57 176.54 2ipa h ASN 101 N -0.01 0.17 -0.18 3.17 -1.24 -0.32 0.64 115.58 117.81 2ipa h ASN 101 Ca -0.26 0.01 0.05 0.00 0.71 0.00 0.00 56.30 56.82 2ipa h ASN 101 Cb 2.01 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 41.03 2ipa h ASN 101 CO 0.21 0.09 0.23 0.11 -1.29 0.00 0.00 177.43 176.78 2ipa h LYS 102 N 0.18 0.00 0.00 6.67 1.57 -1.37 -3.22 116.57 120.41 2ipa h LYS 102 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2ipa h LYS 102 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2ipa h LYS 102 CO -0.05 0.00 -0.37 0.72 -0.57 0.00 0.00 179.45 179.18 2ipa n HIS 103 N -3.66 0.00 0.46 -1.35 8.25 -0.12 -5.14 115.22 113.66 2ipa n HIS 103 Ca 0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.51 2ipa n HIS 103 Cb 0.35 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.67 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87