#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 -0.77 -0.75 -5.12 0.00 -1.26 -5.02 121.76 108.83 2ipa s ALA 2 Ca 0.00 -0.59 -0.25 0.00 0.00 0.00 0.00 51.96 51.12 2ipa s ALA 2 Cb 0.00 0.92 0.05 0.00 0.00 0.00 0.00 23.12 24.08 2ipa s ALA 2 CO 0.00 -0.96 1.21 0.42 0.00 0.00 0.00 175.76 176.43 2ipa s ILE 3 N -3.75 3.94 0.81 0.00 1.09 -1.26 -3.28 121.20 118.75 2ipa s ILE 3 Ca 0.16 0.01 -0.12 0.00 -1.10 0.00 0.00 60.65 59.60 2ipa s ILE 3 Cb -0.04 -4.87 0.08 0.00 -1.06 0.00 0.00 42.46 36.57 2ipa s ILE 3 CO 0.09 -1.75 1.18 -0.69 -0.10 0.00 0.00 174.94 173.67 2ipa s VAL 4 N 5.11 2.00 -0.08 2.92 1.01 0.13 -4.90 120.40 126.59 2ipa s VAL 4 Ca 0.33 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.34 2ipa s VAL 4 Cb -0.09 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.30 2ipa s VAL 4 CO 0.10 0.00 -0.18 -1.59 0.00 0.00 0.00 175.10 173.44 2ipa s LYS 5 N -5.57 2.31 0.64 2.72 -2.85 -1.26 -0.56 119.74 115.17 2ipa s LYS 5 Ca 0.62 -0.62 0.03 0.00 -1.00 0.00 0.00 55.97 55.00 2ipa s LYS 5 Cb -0.11 -1.82 0.10 0.00 -2.06 0.00 0.00 37.83 33.94 2ipa s LYS 5 CO 0.49 0.09 0.89 0.00 0.10 0.00 0.00 175.35 176.92 2ipa s ALA 6 N 0.53 4.11 0.14 0.59 0.00 0.22 -4.88 121.76 122.47 2ipa s ALA 6 Ca -0.16 -1.85 -0.05 0.00 0.00 0.00 0.00 51.96 49.90 2ipa s ALA 6 Cb -0.17 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.17 2ipa s ALA 6 CO 0.06 -1.14 0.28 -2.37 0.00 0.00 0.00 175.76 172.59 2ipa n THR 7 N -2.54 0.00 -0.39 0.00 5.66 -1.26 -4.76 114.28 110.99 2ipa n THR 7 Ca 0.14 -0.37 0.33 0.00 -3.05 0.00 0.00 64.05 61.11 2ipa n THR 7 Cb 0.61 0.36 0.57 0.00 -1.55 0.00 0.00 70.33 70.31 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 -1.22 0.19 0.00 1.09 2.03 -1.26 -1.46 116.55 115.93 2ipa n ASP 8 Ca -0.03 1.21 0.00 0.00 0.52 0.00 0.00 54.79 56.49 2ipa n ASP 8 Cb 0.21 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 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 -4.47 1.35 0.32 -0.67 6.02 -1.26 -4.62 117.38 114.05 2ipa n GLN 9 Ca 0.34 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.52 2ipa n GLN 9 Cb 1.31 -0.66 1.07 0.00 1.02 0.00 0.00 30.24 32.98 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 -0.21 1.08 0.02 -1.90 -1.37 113.55 111.17 2ipa h SER 10 Ca 0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2ipa h SER 10 Cb 0.32 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.80 2ipa h SER 10 CO 0.00 0.01 -0.28 0.15 -1.14 0.00 0.00 176.83 175.57 2ipa h PHE 11 N 0.00 -0.76 -0.54 3.45 3.57 -1.55 -1.01 116.94 120.09 2ipa h PHE 11 Ca -0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2ipa h PHE 11 Cb 0.03 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2ipa h PHE 11 CO 0.00 -0.36 0.30 0.77 -2.23 0.00 0.00 178.31 176.80 2ipa h SER 12 N -0.31 0.67 -0.54 0.41 0.02 -1.53 -2.22 113.55 110.06 2ipa h SER 12 Ca 0.12 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2ipa h SER 12 Cb 0.50 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2ipa h SER 12 CO -0.38 0.57 0.26 0.00 -1.14 0.00 0.00 176.83 176.13 2ipa h ALA 13 N 1.14 1.38 0.00 3.77 0.00 -1.32 -0.71 119.26 123.52 2ipa h ALA 13 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ipa h ALA 13 Cb 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2ipa h ALA 13 CO -0.03 0.48 -0.01 0.39 0.00 0.00 0.00 179.25 180.08 2ipa n GLU 14 N -4.35 0.24 0.00 0.00 -0.58 -0.42 -4.13 120.64 111.39 2ipa n GLU 14 Ca 0.05 0.19 0.01 0.00 -0.42 0.00 0.00 57.16 56.99 2ipa n GLU 14 Cb 0.14 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 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 -2.19 0.00 0.72 2.62 -2.24 -0.54 -4.69 114.28 107.97 2ipa n THR 15 Ca 0.06 -0.48 0.09 0.00 -2.27 0.00 0.00 64.05 61.45 2ipa n THR 15 Cb 0.42 1.03 0.42 0.00 -2.10 0.00 0.00 70.33 70.11 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 -0.33 0.00 -3.97 3.42 7.64 -0.39 -2.45 113.62 117.55 2ipa n SER 16 Ca 0.01 0.37 -0.09 0.00 1.01 0.00 0.00 58.87 60.17 2ipa n SER 16 Cb 0.05 -0.44 -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 -2.88 0.50 2.56 1.43 2.02 -1.26 -3.19 118.70 117.88 2ipa s GLU 17 Ca 0.12 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.34 2ipa s GLU 17 Cb 0.12 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.54 2ipa s GLU 17 CO 0.33 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.91 2ipa n GLY 18 N 0.94 -0.07 3.36 -1.39 0.00 -1.26 -4.61 105.19 102.17 2ipa n GLY 18 Ca -0.20 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 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 3.07 -0.05 1.61 1.01 -1.26 -0.63 120.40 124.15 2ipa s VAL 19 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2ipa s VAL 19 Cb 0.00 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 34.11 2ipa s VAL 19 CO 0.00 0.52 0.03 -0.69 0.00 0.00 0.00 175.10 174.96 2ipa s VAL 20 N 0.44 0.10 -0.60 2.92 1.01 -0.24 -2.94 120.40 121.09 2ipa s VAL 20 Ca -0.09 0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 2ipa s VAL 20 Cb -0.16 -0.29 0.09 0.00 0.00 0.00 0.00 36.38 36.02 2ipa s VAL 20 CO 0.05 0.19 0.78 -0.22 0.00 0.00 0.00 175.10 175.90 2ipa s LEU 21 N 1.85 5.00 0.34 3.92 2.96 -0.31 -0.72 118.68 131.72 2ipa s LEU 21 Ca 0.02 -1.20 -0.17 0.00 -0.22 0.00 0.00 54.13 52.56 2ipa s LEU 21 Cb -0.12 -2.37 -0.09 0.00 0.50 0.00 0.00 46.19 44.10 2ipa s LEU 21 CO -0.03 -1.19 0.79 0.00 -1.32 0.00 0.00 176.35 174.59 2ipa s ALA 22 N 3.14 3.26 0.02 5.97 0.00 -0.11 -1.64 121.76 132.39 2ipa s ALA 22 Ca 0.16 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 2ipa s ALA 22 Cb -0.21 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 2ipa s ALA 22 CO 0.08 0.28 -0.03 0.34 0.00 0.00 0.00 175.76 176.44 2ipa s ASP 23 N -2.22 0.26 -0.17 0.00 2.15 -0.07 -1.47 116.67 115.15 2ipa s ASP 23 Ca 0.56 -0.53 -0.02 0.00 0.43 0.00 0.00 52.55 52.98 2ipa s ASP 23 Cb -0.10 0.11 0.05 0.00 -0.30 0.00 0.00 42.92 42.68 2ipa s ASP 23 CO 0.17 -0.33 0.00 -0.36 -0.17 0.00 0.00 175.17 174.48 2ipa s PHE 24 N -1.66 1.21 0.08 -5.34 0.40 0.16 -0.48 117.98 112.36 2ipa s PHE 24 Ca -0.14 -0.85 0.04 0.00 -0.60 0.00 0.00 56.93 55.38 2ipa s PHE 24 Cb -0.09 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 2ipa s PHE 24 CO -0.02 -0.57 -0.11 1.67 0.70 0.00 0.00 175.22 176.89 2ipa s TRP 25 N 1.79 1.05 0.04 0.36 1.48 -0.80 -2.63 118.94 120.24 2ipa s TRP 25 Ca 0.00 -0.58 -0.28 0.00 -1.06 0.00 0.00 56.10 54.18 2ipa s TRP 25 Cb -0.16 -0.58 0.09 0.00 -1.16 0.00 0.00 33.47 31.66 2ipa s TRP 25 CO -0.07 0.01 1.00 0.00 -4.06 0.00 0.00 176.95 173.82 2ipa s ALA 26 N -2.00 -1.83 0.42 2.67 0.00 -1.26 -0.98 121.76 118.77 2ipa s ALA 26 Ca 0.02 0.69 0.23 0.00 0.00 0.00 0.00 51.96 52.90 2ipa s ALA 26 Cb -0.06 0.44 1.25 0.00 0.00 0.00 0.00 23.12 24.76 2ipa s ALA 26 CO 0.01 -0.86 1.67 -1.35 0.00 0.00 0.00 175.76 175.23 2ipa h PRO 27 N 2.00 0.00 0.00 0.00 0.11 -1.97 -2.99 132.00 129.15 2ipa h PRO 27 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2ipa h PRO 27 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2ipa h PRO 27 CO 0.28 0.00 0.09 -1.49 -0.21 0.00 0.00 178.00 176.66 2ipa h TRP 28 N 0.00 0.00 -3.97 0.65 4.06 -1.95 -3.45 115.95 111.28 2ipa h TRP 28 Ca 0.00 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.84 2ipa h TRP 28 Cb 0.66 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.68 2ipa h TRP 28 CO 0.00 0.00 -0.45 0.00 -3.56 0.00 0.00 178.44 174.43 2ipa h GLY 30 N 2.80 0.34 0.36 0.00 0.00 -1.88 -3.29 103.07 101.39 2ipa h GLY 30 Ca -0.34 -0.51 0.20 0.00 0.00 0.00 0.00 47.33 46.68 2ipa h GLY 30 CO 0.57 0.46 0.62 -2.55 0.00 0.00 0.00 176.54 175.64 2ipa h PRO 31 N -0.24 0.00 0.00 4.80 0.11 -1.95 0.46 132.00 135.18 2ipa h PRO 31 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2ipa h PRO 31 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2ipa h PRO 31 CO 0.07 0.00 0.07 0.77 -0.21 0.00 0.00 178.00 178.70 2ipa h SER 32 N 0.00 0.00 -0.24 -2.05 0.02 -1.83 0.28 113.55 109.73 2ipa h SER 32 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2ipa h SER 32 Cb 1.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.11 2ipa h SER 32 CO -0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 2ipa n LYS 33 N -2.78 2.84 0.00 3.45 4.01 0.15 -4.06 118.16 121.77 2ipa n LYS 33 Ca -0.02 -2.03 0.00 0.00 -0.51 0.00 0.00 58.31 55.75 2ipa n LYS 33 Cb 0.12 -1.28 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 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 0.06 0.00 -0.10 1.97 2.81 -0.12 -4.52 117.12 117.23 2ipa n MET 34 Ca 0.10 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2ipa n MET 34 Cb 0.44 -0.78 0.27 0.00 -0.71 0.00 0.00 33.22 32.44 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 1.19 0.57 2.02 6.09 -0.82 -2.63 117.51 123.93 2ipa h ILE 35 Ca 0.00 -0.57 -0.02 0.00 -1.37 0.00 0.00 64.86 62.90 2ipa h ILE 35 Cb 0.93 0.54 -0.01 0.00 0.47 0.00 0.00 36.82 38.76 2ipa h ILE 35 CO 0.00 0.23 -0.41 0.00 -3.07 0.00 0.00 178.15 174.90 2ipa h ALA 36 N 1.50 -0.98 -0.95 0.18 0.00 -1.72 0.34 119.26 117.63 2ipa h ALA 36 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ipa h ALA 36 Cb 0.13 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2ipa h ALA 36 CO -0.02 -1.07 0.61 -1.00 0.00 0.00 0.00 179.25 177.77 2ipa h PRO 37 N -0.94 1.26 -0.80 0.00 0.13 -1.79 -2.22 132.00 127.64 2ipa h PRO 37 Ca -0.07 -0.09 0.09 0.00 -0.87 0.00 0.00 66.00 65.07 2ipa h PRO 37 Cb 0.78 -0.28 -0.05 0.00 0.13 0.00 0.00 31.00 31.58 2ipa h PRO 37 CO 0.03 0.85 0.52 0.28 -0.23 0.00 0.00 178.00 179.45 2ipa h VAL 38 N 1.29 0.97 -0.19 1.56 2.07 -1.07 0.76 116.25 121.64 2ipa h VAL 38 Ca 0.35 -0.26 -0.17 0.00 0.82 0.00 0.00 66.70 67.43 2ipa h VAL 38 Cb -0.12 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 2ipa h VAL 38 CO -0.07 0.14 -0.56 -0.07 0.02 0.00 0.00 177.57 177.03 2ipa h LEU 39 N 0.76 0.82 -1.11 2.57 3.38 -0.35 -1.76 115.31 119.63 2ipa h LEU 39 Ca 0.36 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 2ipa h LEU 39 Cb 0.40 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2ipa h LEU 39 CO -0.14 1.26 -0.05 -0.33 0.09 0.00 0.00 178.44 179.28 2ipa h GLU 40 N 0.42 0.57 0.00 1.13 5.08 -0.88 0.08 114.58 120.99 2ipa h GLU 40 Ca -0.02 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 2ipa h GLU 40 Cb 1.18 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2ipa h GLU 40 CO 0.12 0.63 -0.31 0.93 -1.00 0.00 0.00 179.01 179.38 2ipa h GLU 41 N 0.54 0.00 0.01 2.33 5.08 -0.81 -1.85 114.58 119.88 2ipa h GLU 41 Ca 0.11 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2ipa h GLU 41 Cb 0.42 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2ipa h GLU 41 CO 0.02 0.31 -0.41 1.25 -1.00 0.00 0.00 179.01 179.18 2ipa h LEU 42 N 0.00 0.34 -0.50 1.33 5.85 -0.38 -3.28 115.31 118.66 2ipa h LEU 42 Ca -0.00 -0.80 -0.16 0.00 0.84 0.00 0.00 57.88 57.76 2ipa h LEU 42 Cb 0.60 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2ipa h LEU 42 CO 0.04 1.10 -0.56 -0.78 -0.34 0.00 0.00 178.44 177.89 2ipa h ASP 43 N -0.38 0.62 0.39 1.25 3.58 -0.92 0.60 116.42 121.55 2ipa h ASP 43 Ca -0.05 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2ipa h ASP 43 Cb 1.17 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.04 2ipa h ASP 43 CO 0.08 1.05 0.00 0.00 -2.88 0.00 0.00 179.24 177.49 2ipa n GLN 44 N -3.95 0.03 -0.10 0.28 10.64 -0.70 -0.54 117.38 123.04 2ipa n GLN 44 Ca -0.03 0.27 -0.21 0.00 -1.83 0.00 0.00 57.00 55.20 2ipa n GLN 44 Cb 0.61 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 28.42 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 -1.46 0.46 -0.11 2.61 2.13 -0.68 -4.83 120.64 118.76 2ipa n GLU 45 Ca 0.04 0.20 0.03 0.00 0.66 0.00 0.00 57.16 58.08 2ipa n GLU 45 Cb 0.14 -1.28 0.04 0.00 0.27 0.00 0.00 31.44 30.61 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 -4.05 1.36 0.00 5.31 0.00 0.12 -4.67 117.12 115.19 2ipa n MET 46 Ca -0.37 -1.53 0.02 0.00 0.00 0.00 0.00 57.70 55.82 2ipa n MET 46 Cb 0.73 -0.96 0.11 0.00 0.00 0.00 0.00 33.22 33.10 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 -0.59 -0.47 0.28 3.17 0.00 0.30 -1.21 105.19 106.69 2ipa n GLY 47 Ca 0.05 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.83 0.12 116.42 119.90 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 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2ipa h ASP 48 CO 0.00 0.07 -0.48 0.29 -2.88 0.00 0.00 179.24 176.24 2ipa n LYS 49 N -3.47 3.42 -4.24 0.28 4.01 -0.35 -4.96 118.16 112.86 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 -0.73 -0.12 0.00 -0.51 0.00 0.00 35.03 33.87 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 -2.38 2.28 0.07 -0.35 2.96 -0.99 -4.70 118.68 115.59 2ipa s LEU 50 Ca 0.00 -0.64 0.07 0.00 -0.22 0.00 0.00 54.13 53.34 2ipa s LEU 50 Cb 0.00 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 2ipa s LEU 50 CO 0.00 -0.01 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.14 2ipa s LYS 51 N -1.79 2.10 0.01 1.98 2.20 -1.15 -0.65 119.74 122.43 2ipa s LYS 51 Ca 0.02 -1.00 0.07 0.00 -0.36 0.00 0.00 55.97 54.70 2ipa s LYS 51 Cb -0.10 -2.26 -0.02 0.00 -1.51 0.00 0.00 37.83 33.94 2ipa s LYS 51 CO 0.03 0.53 -0.21 0.42 -0.36 0.00 0.00 175.35 175.76 2ipa s ILE 52 N -1.07 1.69 -0.13 5.43 1.01 -1.21 -1.16 121.20 125.76 2ipa s ILE 52 Ca 0.18 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 2ipa s ILE 52 Cb -0.11 -1.43 0.05 0.00 0.01 0.00 0.00 42.46 40.99 2ipa s ILE 52 CO 0.09 0.38 0.07 -0.69 0.00 0.00 0.00 174.94 174.79 2ipa s VAL 53 N -0.61 -0.01 0.38 2.92 1.01 -0.65 -0.69 120.40 122.75 2ipa s VAL 53 Ca 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 2ipa s VAL 53 Cb -0.08 -0.51 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 2ipa s VAL 53 CO 0.00 -0.13 0.73 -0.54 0.00 0.00 0.00 175.10 175.16 2ipa s LYS 54 N 2.11 3.74 -0.10 2.72 1.02 0.27 -0.89 119.74 128.61 2ipa s LYS 54 Ca 0.03 0.36 0.02 0.00 0.02 0.00 0.00 55.97 56.40 2ipa s LYS 54 Cb -0.15 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.73 2ipa s LYS 54 CO -0.07 0.01 -0.17 0.42 -0.92 0.00 0.00 175.35 174.62 2ipa s ILE 55 N -2.33 1.58 -0.59 2.17 -1.09 0.36 -0.61 121.20 120.69 2ipa s ILE 55 Ca 0.50 -0.71 -0.26 0.00 -2.23 0.00 0.00 60.65 57.94 2ipa s ILE 55 Cb -0.10 -1.42 0.04 0.00 -1.58 0.00 0.00 42.46 39.40 2ipa s ILE 55 CO 0.32 0.46 1.09 -0.62 -1.23 0.00 0.00 174.94 174.95 2ipa s ASP 56 N 0.78 6.36 0.00 3.58 -1.08 -1.26 -1.89 116.67 123.15 2ipa s ASP 56 Ca -0.11 -0.20 -0.04 0.00 -0.52 0.00 0.00 52.55 51.68 2ipa s ASP 56 Cb -0.16 -2.50 -0.20 0.00 -1.46 0.00 0.00 42.92 38.60 2ipa s ASP 56 CO 0.02 -1.41 3.06 1.33 0.52 0.00 0.00 175.17 178.68 2ipa n VAL 57 N 6.40 2.55 0.00 1.11 0.24 -0.15 -1.15 118.33 127.32 2ipa n VAL 57 Ca 0.04 -1.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 2ipa n VAL 57 Cb 0.48 -1.87 0.00 0.00 -1.47 0.00 0.00 33.84 30.99 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 2.38 0.00 0.07 -1.34 2.03 -1.26 -4.77 116.55 113.66 2ipa n ASP 58 Ca 0.32 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.41 2ipa n ASP 58 Cb 0.76 0.09 -0.15 0.00 -0.72 0.00 0.00 41.12 41.11 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 0.37 -0.42 -0.67 4.81 -1.93 -3.40 114.58 113.35 2ipa h GLU 59 Ca 0.00 -0.63 -0.29 0.00 -0.13 0.00 0.00 59.36 58.31 2ipa h GLU 59 Cb 0.00 0.24 -0.38 0.00 0.63 0.00 0.00 28.75 29.23 2ipa h GLU 59 CO 0.00 1.30 -1.01 0.27 -0.73 0.00 0.00 179.01 178.84 2ipa n ASN 60 N -3.91 2.23 0.00 1.04 0.23 -0.30 -4.88 115.26 109.66 2ipa n ASN 60 Ca -0.18 -2.49 0.07 0.00 -0.53 0.00 0.00 54.58 51.45 2ipa n ASN 60 Cb 0.95 -0.43 0.36 0.00 -2.08 0.00 0.00 39.78 38.58 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 -0.50 0.23 -0.16 -3.83 10.64 -1.00 -3.82 117.38 118.94 2ipa n GLN 61 Ca 0.16 0.13 -0.02 0.00 -1.83 0.00 0.00 57.00 55.44 2ipa n GLN 61 Cb 0.88 -1.50 0.07 0.00 -0.86 0.00 0.00 30.24 28.83 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 0.26 -0.92 2.61 5.08 -1.90 -0.34 114.58 119.37 2ipa h GLU 62 Ca 0.00 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2ipa h GLU 62 Cb 0.11 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2ipa h GLU 62 CO 0.00 0.17 0.60 1.15 -1.00 0.00 0.00 179.01 179.93 2ipa h THR 63 N 0.27 1.16 0.33 1.13 2.02 -1.82 -0.18 112.91 115.82 2ipa h THR 63 Ca 0.26 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2ipa h THR 63 Cb 0.33 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 2ipa h THR 63 CO -0.31 0.21 -0.16 0.00 0.37 0.00 0.00 175.52 175.63 2ipa h ALA 64 N 1.37 -0.44 -0.75 6.16 0.00 -1.39 -0.43 119.26 123.79 2ipa h ALA 64 Ca 0.36 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.24 2ipa h ALA 64 Cb -0.01 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 17.84 2ipa h ALA 64 CO -0.12 -0.55 0.22 0.78 0.00 0.00 0.00 179.25 179.58 2ipa h GLY 65 N -0.83 1.08 1.01 0.00 0.00 -1.11 -0.22 103.07 102.99 2ipa h GLY 65 Ca -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2ipa h GLY 65 CO 0.07 -0.18 0.51 1.70 0.00 0.00 0.00 176.54 178.64 2ipa h LYS 66 N 0.31 1.12 -0.00 4.80 3.64 -0.76 -1.08 116.57 124.61 2ipa h LYS 66 Ca 0.42 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2ipa h LYS 66 Cb 0.71 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2ipa h LYS 66 CO -0.49 0.78 -0.02 0.66 -2.27 0.00 0.00 179.45 178.12 2ipa n TYR 67 N -4.46 0.00 -2.52 1.91 4.02 -0.19 -4.95 117.16 110.97 2ipa n TYR 67 Ca 0.08 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.89 2ipa n TYR 67 Cb 0.05 -0.26 0.04 0.00 -0.02 0.00 0.00 39.34 39.14 2ipa n TYR 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ipa n GLY 68 N 1.28 -0.32 0.04 2.72 0.00 -0.24 -5.01 105.19 103.66 2ipa n GLY 68 Ca 0.15 0.23 -0.04 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.47 0.77 -0.72 1.61 0.31 -0.37 -4.98 118.33 112.48 2ipa n VAL 69 Ca -0.04 0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2ipa n VAL 69 Cb 0.57 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 2ipa n VAL 69 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2ipa n MET 70 N -3.50 -1.03 -3.97 5.55 2.81 -1.26 -4.90 117.12 110.81 2ipa n MET 70 Ca -0.07 0.24 -0.08 0.00 -1.81 0.00 0.00 57.70 55.99 2ipa n MET 70 Cb 0.25 -4.59 -0.09 0.00 -0.71 0.00 0.00 33.22 28.08 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 -1.89 0.30 0.00 7.83 1.04 -1.26 -5.13 113.70 114.59 2ipa s SER 71 Ca 0.00 -0.81 0.05 0.00 0.48 0.00 0.00 55.95 55.67 2ipa s SER 71 Cb 0.00 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2ipa s SER 71 CO 0.00 -0.65 -0.15 -0.63 0.98 0.00 0.00 173.24 172.79 2ipa s ILE 72 N -3.78 1.20 0.40 -1.02 -1.09 -1.26 -3.91 121.20 111.75 2ipa s ILE 72 Ca 0.05 -0.76 -0.17 0.00 -2.23 0.00 0.00 60.65 57.55 2ipa s ILE 72 Cb 0.06 -1.03 -0.09 0.00 -1.58 0.00 0.00 42.46 39.82 2ipa s ILE 72 CO -0.10 0.26 0.86 -2.16 -1.23 0.00 0.00 174.94 172.57 2ipa s PRO 73 N -0.58 4.05 0.07 2.79 0.04 -1.26 -4.73 135.00 135.38 2ipa s PRO 73 Ca 0.05 0.85 0.08 0.00 0.04 0.00 0.00 61.00 62.03 2ipa s PRO 73 Cb -0.06 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 2ipa s PRO 73 CO -0.00 -0.01 -0.22 0.99 0.04 0.00 0.00 177.00 177.81 2ipa s THR 74 N -2.21 1.77 -0.03 1.26 2.01 -1.08 -1.18 115.64 116.18 2ipa s THR 74 Ca 0.57 -1.38 0.06 0.00 0.31 0.00 0.00 61.69 61.26 2ipa s THR 74 Cb -0.10 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 2ipa s THR 74 CO 0.20 0.12 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.27 2ipa s LEU 75 N -1.51 2.02 -0.26 4.42 1.43 0.24 -0.66 118.68 124.36 2ipa s LEU 75 Ca 0.08 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2ipa s LEU 75 Cb -0.09 -1.15 0.07 0.00 0.03 0.00 0.00 46.19 45.04 2ipa s LEU 75 CO 0.03 0.24 -0.05 -0.76 0.23 0.00 0.00 176.35 176.05 2ipa s LEU 76 N -0.34 3.18 -0.09 1.79 1.43 -0.54 -1.78 118.68 122.33 2ipa s LEU 76 Ca 0.04 -1.43 -0.23 0.00 -1.03 0.00 0.00 54.13 51.47 2ipa s LEU 76 Cb -0.10 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 2ipa s LEU 76 CO 0.01 -0.25 0.71 -0.69 0.23 0.00 0.00 176.35 176.35 2ipa s VAL 77 N 1.24 5.02 0.13 -1.59 1.01 0.07 -0.93 120.40 125.34 2ipa s VAL 77 Ca -0.03 1.44 0.09 0.00 0.00 0.00 0.00 61.98 63.48 2ipa s VAL 77 Cb -0.19 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2ipa s VAL 77 CO -0.07 0.21 -0.22 -0.76 0.00 0.00 0.00 175.10 174.26 2ipa s LEU 78 N 1.09 2.34 -0.01 3.92 1.02 0.10 -0.77 118.68 126.36 2ipa s LEU 78 Ca 0.37 -0.74 0.01 0.00 0.02 0.00 0.00 54.13 53.78 2ipa s LEU 78 Cb -0.17 -0.97 0.01 0.00 0.02 0.00 0.00 46.19 45.08 2ipa s LEU 78 CO 0.16 0.07 -0.02 -1.59 0.02 0.00 0.00 176.35 175.00 2ipa s LYS 79 N -2.15 0.27 -0.34 1.70 -2.85 -0.13 -1.08 119.74 115.16 2ipa s LYS 79 Ca 0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.04 2ipa s LYS 79 Cb -0.09 -0.33 0.00 0.00 -2.06 0.00 0.00 37.83 35.35 2ipa s LYS 79 CO 0.05 -0.02 0.00 -3.47 0.10 0.00 0.00 175.35 172.02 2ipa n ASP 80 N 3.46 -1.94 0.00 0.03 2.03 0.20 -1.51 116.55 118.82 2ipa n ASP 80 Ca -0.18 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2ipa n ASP 80 Cb 0.55 -1.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 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 -0.60 0.87 3.12 0.27 0.00 -1.02 -4.68 105.19 103.16 2ipa n GLY 81 Ca -0.05 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.58 0.93 0.20 1.61 -1.05 -0.57 -4.91 118.70 114.33 2ipa s GLU 82 Ca 0.00 -0.69 -0.30 0.00 -0.15 0.00 0.00 54.97 53.83 2ipa s GLU 82 Cb 0.00 -0.92 -0.09 0.00 -0.44 0.00 0.00 34.13 32.68 2ipa s GLU 82 CO 0.00 0.23 1.32 0.08 0.95 0.00 0.00 175.26 177.85 2ipa s VAL 83 N -0.75 3.14 0.00 1.83 1.01 -1.26 -0.95 120.40 123.42 2ipa s VAL 83 Ca 0.02 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2ipa s VAL 83 Cb -0.07 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2ipa s VAL 83 CO 0.01 0.14 0.00 0.55 0.00 0.00 0.00 175.10 175.80 2ipa n VAL 84 N 2.60 0.00 -4.00 2.92 3.14 0.05 -4.91 118.33 118.12 2ipa n VAL 84 Ca 0.06 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.35 2ipa n VAL 84 Cb 0.42 0.04 -0.08 0.00 -1.06 0.00 0.00 33.84 33.17 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 -1.49 1.14 -0.03 1.45 0.41 -1.05 -5.02 118.70 114.11 2ipa s GLU 85 Ca 0.00 -1.24 -0.17 0.00 -0.41 0.00 0.00 54.97 53.15 2ipa s GLU 85 Cb 0.00 0.35 0.03 0.00 -1.78 0.00 0.00 34.13 32.73 2ipa s GLU 85 CO 0.00 -0.40 0.36 0.95 -0.49 0.00 0.00 175.26 175.68 2ipa s THR 86 N -3.99 0.05 -0.18 3.63 -4.23 -1.26 -0.75 115.64 108.90 2ipa s THR 86 Ca 0.19 -0.38 -0.17 0.00 -1.18 0.00 0.00 61.69 60.16 2ipa s THR 86 Cb 0.04 -0.66 0.05 0.00 1.34 0.00 0.00 72.50 73.27 2ipa s THR 86 CO 0.01 -0.21 0.49 -0.44 -0.54 0.00 0.00 174.62 173.93 2ipa s SER 87 N -1.21 -0.51 -0.46 3.99 0.01 -0.73 -4.99 113.70 109.80 2ipa s SER 87 Ca -0.12 0.98 0.08 0.00 1.31 0.00 0.00 55.95 58.20 2ipa s SER 87 Cb -0.04 0.99 0.28 0.00 0.21 0.00 0.00 66.02 67.45 2ipa s SER 87 CO 0.05 -0.17 0.65 0.52 0.41 0.00 0.00 173.24 174.69 2ipa n VAL 88 N 2.91 0.38 0.00 3.43 0.31 -1.26 -0.60 118.33 123.50 2ipa n VAL 88 Ca -0.14 -4.52 0.00 0.00 -0.01 0.00 0.00 64.34 59.67 2ipa n VAL 88 Cb 0.57 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 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 0.92 2.62 3.76 2.92 0.00 -0.33 -4.88 105.19 110.19 2ipa n GLY 89 Ca 0.25 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 2.46 -0.00 1.61 5.36 -1.26 -4.73 117.98 119.42 2ipa s PHE 90 Ca 0.00 1.48 -0.01 0.00 -0.96 0.00 0.00 56.93 57.44 2ipa s PHE 90 Cb 0.00 -3.55 -0.00 0.00 -0.34 0.00 0.00 43.02 39.13 2ipa s PHE 90 CO 0.00 -2.26 0.02 0.21 -1.46 0.00 0.00 175.22 171.73 2ipa s LYS 91 N -3.07 0.09 0.92 10.12 2.47 -1.26 -5.12 119.74 123.89 2ipa s LYS 91 Ca 0.73 -0.10 -0.12 0.00 -1.56 0.00 0.00 55.97 54.92 2ipa s LYS 91 Cb -0.33 0.04 0.14 0.00 -1.46 0.00 0.00 37.83 36.22 2ipa s LYS 91 CO 0.37 -0.02 1.09 -1.25 0.16 0.00 0.00 175.35 175.71 2ipa s PRO 92 N -0.30 1.06 0.25 4.03 0.04 -1.26 -4.68 135.00 134.14 2ipa s PRO 92 Ca -0.03 0.72 -0.06 0.00 0.04 0.00 0.00 61.00 61.67 2ipa s PRO 92 Cb -0.02 -1.79 0.48 0.00 0.04 0.00 0.00 34.50 33.20 2ipa s PRO 92 CO -0.00 -2.35 1.64 -0.22 0.04 0.00 0.00 177.00 176.11 2ipa h LYS 93 N -1.63 0.13 -0.32 4.56 1.63 -1.97 0.88 116.57 119.86 2ipa h LYS 93 Ca -0.51 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.19 2ipa h LYS 93 Cb 1.30 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.89 2ipa h LYS 93 CO 0.56 0.09 -0.17 0.93 -3.45 0.00 0.00 179.45 177.41 2ipa h GLU 94 N 0.13 0.67 -0.21 1.90 3.07 -1.96 -0.94 114.58 117.24 2ipa h GLU 94 Ca 0.43 -0.30 -0.09 0.00 -0.50 0.00 0.00 59.36 58.90 2ipa h GLU 94 Cb 0.77 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 2ipa h GLU 94 CO -0.65 0.89 -0.28 0.00 -1.40 0.00 0.00 179.01 177.58 2ipa h ALA 95 N 0.76 1.14 0.21 3.43 0.00 -1.68 -0.37 119.26 122.74 2ipa h ALA 95 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ipa h ALA 95 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2ipa h ALA 95 CO 0.05 0.55 -0.18 1.25 0.00 0.00 0.00 179.25 180.91 2ipa h LEU 96 N 0.36 -0.48 -0.70 0.00 5.85 -0.62 -1.05 115.31 118.67 2ipa h LEU 96 Ca 0.05 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 2ipa h LEU 96 Cb 0.68 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 2ipa h LEU 96 CO 0.05 -0.28 -0.14 0.06 -0.34 0.00 0.00 178.44 177.79 2ipa h GLN 97 N -0.41 0.86 -0.34 1.25 3.07 -0.87 -2.54 115.11 116.14 2ipa h GLN 97 Ca -0.01 -0.31 0.00 0.00 0.09 0.00 0.00 58.65 58.42 2ipa h GLN 97 Cb 0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.86 2ipa h GLN 97 CO -0.03 0.95 0.22 1.49 0.09 0.00 0.00 178.83 181.55 2ipa h GLU 98 N 0.77 0.44 -0.90 0.06 4.81 -0.97 0.20 114.58 118.99 2ipa h GLU 98 Ca 0.12 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2ipa h GLU 98 Cb 0.66 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.88 2ipa h GLU 98 CO 0.05 0.30 0.59 1.25 -0.73 0.00 0.00 179.01 180.46 2ipa h LEU 99 N 0.46 0.94 0.14 1.64 5.85 -0.78 -1.81 115.31 121.73 2ipa h LEU 99 Ca 0.12 -0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.49 2ipa h LEU 99 Cb -0.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2ipa h LEU 99 CO -0.03 0.62 -1.88 1.62 -0.34 0.00 0.00 178.44 178.44 2ipa h VAL 100 N 1.08 0.74 -0.45 1.05 3.04 -1.37 -3.39 116.25 116.95 2ipa h VAL 100 Ca 0.37 -2.38 0.06 0.00 -1.01 0.00 0.00 66.70 63.74 2ipa h VAL 100 Cb 0.11 2.58 -0.02 0.00 -2.01 0.00 0.00 31.29 31.94 2ipa h VAL 100 CO -0.13 0.86 0.30 -1.13 -1.01 0.00 0.00 177.57 176.47 2ipa h ASN 101 N 0.03 0.30 0.28 3.17 -1.24 -0.31 0.60 115.58 118.41 2ipa h ASN 101 Ca -0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.62 2ipa h ASN 101 Cb 2.02 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 41.00 2ipa h ASN 101 CO 0.10 0.20 0.00 2.29 -1.29 0.00 0.00 177.43 178.73 2ipa n LYS 102 N -4.47 0.19 0.00 6.67 2.85 -0.71 -3.33 118.16 119.36 2ipa n LYS 102 Ca 0.06 0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 2ipa n LYS 102 Cb 0.27 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 2ipa n LYS 102 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2ipa n HIS 103 N -1.30 0.00 0.09 5.58 8.25 -0.28 -5.14 115.22 122.43 2ipa n HIS 103 Ca 0.07 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.53 2ipa n HIS 103 Cb 0.12 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.27 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87