#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 -0.80 -0.71 3.04 0.00 -1.26 -5.02 121.76 117.01 2ipa s ALA 2 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 51.96 51.36 2ipa s ALA 2 Cb 0.00 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.01 2ipa s ALA 2 CO 0.00 -0.79 1.29 0.42 0.00 0.00 0.00 175.76 176.67 2ipa s ILE 3 N -3.89 3.75 0.78 0.00 1.09 -1.26 -3.52 121.20 118.16 2ipa s ILE 3 Ca 0.11 0.48 -0.12 0.00 -1.10 0.00 0.00 60.65 60.02 2ipa s ILE 3 Cb -0.01 -4.86 0.06 0.00 -1.06 0.00 0.00 42.46 36.60 2ipa s ILE 3 CO -0.02 -1.75 1.13 -0.69 -0.10 0.00 0.00 174.94 173.51 2ipa s VAL 4 N 5.72 2.78 -0.27 2.92 1.01 0.05 -4.91 120.40 127.70 2ipa s VAL 4 Ca 0.37 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.63 2ipa s VAL 4 Cb -0.08 -3.16 0.07 0.00 0.00 0.00 0.00 36.38 33.21 2ipa s VAL 4 CO 0.17 -0.33 -0.05 -0.75 0.00 0.00 0.00 175.10 174.14 2ipa s LYS 5 N -5.36 1.85 1.14 2.72 2.20 -1.26 -0.54 119.74 120.50 2ipa s LYS 5 Ca 0.61 -1.37 -0.17 0.00 -0.36 0.00 0.00 55.97 54.68 2ipa s LYS 5 Cb -0.12 -2.85 0.26 0.00 -1.51 0.00 0.00 37.83 33.61 2ipa s LYS 5 CO 0.52 -0.68 1.11 0.00 -0.36 0.00 0.00 175.35 175.94 2ipa s ALA 6 N 1.15 0.70 0.11 3.13 0.00 0.26 -4.89 121.76 122.21 2ipa s ALA 6 Ca -0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 2ipa s ALA 6 Cb -0.19 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 19.99 2ipa s ALA 6 CO -0.07 -3.38 0.21 -2.37 0.00 0.00 0.00 175.76 170.16 2ipa n THR 7 N -4.59 0.00 -0.30 0.00 5.66 -1.26 -4.72 114.28 109.06 2ipa n THR 7 Ca 0.11 -0.28 0.25 0.00 -3.05 0.00 0.00 64.05 61.07 2ipa n THR 7 Cb 0.59 0.27 0.46 0.00 -1.55 0.00 0.00 70.33 70.10 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 -1.19 0.20 0.00 1.09 2.03 -1.26 -0.67 116.55 116.75 2ipa n ASP 8 Ca -0.02 1.52 0.00 0.00 0.52 0.00 0.00 54.79 56.81 2ipa n ASP 8 Cb 0.16 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 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 -5.13 2.36 0.30 -0.67 6.02 -1.26 -4.64 117.38 114.36 2ipa n GLN 9 Ca 0.31 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.47 2ipa n GLN 9 Cb 1.04 -0.79 0.94 0.00 1.02 0.00 0.00 30.24 32.45 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 0.07 1.08 0.02 -1.91 -1.24 113.55 111.57 2ipa h SER 10 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2ipa h SER 10 Cb 0.46 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 2ipa h SER 10 CO 0.00 0.03 -0.27 0.15 -1.14 0.00 0.00 176.83 175.60 2ipa h PHE 11 N 0.00 -0.72 -0.30 3.45 3.04 -1.17 0.55 116.94 121.79 2ipa h PHE 11 Ca -0.00 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.00 2ipa h PHE 11 Cb 0.11 0.31 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 2ipa h PHE 11 CO 0.00 -0.37 0.12 0.77 -2.02 0.00 0.00 178.31 176.82 2ipa h SER 12 N -0.45 0.16 -0.83 0.41 0.02 -1.51 -0.87 113.55 110.49 2ipa h SER 12 Ca 0.04 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2ipa h SER 12 Cb 0.50 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 2ipa h SER 12 CO -0.19 0.13 0.37 0.00 -1.14 0.00 0.00 176.83 176.00 2ipa h ALA 13 N 1.17 1.07 0.00 3.77 0.00 -1.09 -1.18 119.26 123.00 2ipa h ALA 13 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ipa h ALA 13 Cb 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2ipa h ALA 13 CO -0.11 0.66 -0.01 0.93 0.00 0.00 0.00 179.25 180.72 2ipa h GLU 14 N 1.19 0.00 -0.00 0.00 4.39 -0.61 -3.32 114.58 116.23 2ipa h GLU 14 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2ipa h GLU 14 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2ipa h GLU 14 CO -0.03 0.00 -0.60 0.25 -1.16 0.00 0.00 179.01 177.47 2ipa n THR 15 N -2.41 0.00 0.95 1.13 -2.24 -0.36 -4.56 114.28 106.80 2ipa n THR 15 Ca 0.05 -0.20 0.09 0.00 -2.27 0.00 0.00 64.05 61.72 2ipa n THR 15 Cb 0.45 1.02 0.48 0.00 -2.10 0.00 0.00 70.33 70.18 2ipa n THR 15 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2ipa n SER 16 N -1.16 0.00 -3.93 3.42 7.64 -0.51 -0.83 113.62 118.25 2ipa n SER 16 Ca 0.03 -0.23 -0.09 0.00 1.01 0.00 0.00 58.87 59.59 2ipa n SER 16 Cb 0.23 -0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 63.18 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 -2.31 0.63 1.58 1.43 2.02 -1.26 -3.72 118.70 117.07 2ipa s GLU 17 Ca 0.21 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.39 2ipa s GLU 17 Cb 0.12 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.60 2ipa s GLU 17 CO 0.24 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.76 2ipa n GLY 18 N 0.59 -1.47 3.13 -1.39 0.00 -1.26 -4.47 105.19 100.33 2ipa n GLY 18 Ca -0.18 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 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 2.07 -0.08 1.61 1.01 -1.26 -0.71 120.40 123.03 2ipa s VAL 19 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2ipa s VAL 19 Cb 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.55 2ipa s VAL 19 CO 0.00 0.54 -0.06 0.54 0.00 0.00 0.00 175.10 176.12 2ipa s VAL 20 N 1.17 0.79 -0.70 2.92 0.11 -0.51 -2.33 120.40 121.85 2ipa s VAL 20 Ca 0.02 -0.20 -0.25 0.00 -2.93 0.00 0.00 61.98 58.62 2ipa s VAL 20 Cb -0.14 -0.82 0.05 0.00 -1.53 0.00 0.00 36.38 33.95 2ipa s VAL 20 CO -0.10 0.31 1.14 -0.22 -3.33 0.00 0.00 175.10 172.90 2ipa s LEU 21 N 1.35 3.69 0.27 2.54 2.96 -0.42 -1.17 118.68 127.88 2ipa s LEU 21 Ca -0.03 -0.66 -0.29 0.00 -0.22 0.00 0.00 54.13 52.93 2ipa s LEU 21 Cb -0.14 -2.52 -0.09 0.00 0.50 0.00 0.00 46.19 43.94 2ipa s LEU 21 CO -0.03 -1.66 0.95 0.00 -1.32 0.00 0.00 176.35 174.29 2ipa s ALA 22 N 5.00 3.31 0.02 5.97 0.00 0.07 -2.11 121.76 134.03 2ipa s ALA 22 Ca 0.30 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.89 2ipa s ALA 22 Cb -0.12 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2ipa s ALA 22 CO 0.13 0.17 -0.06 0.34 0.00 0.00 0.00 175.76 176.34 2ipa s ASP 23 N -1.27 0.71 -0.22 0.00 2.15 -0.38 -1.27 116.67 116.38 2ipa s ASP 23 Ca 0.44 -0.33 -0.01 0.00 0.43 0.00 0.00 52.55 53.08 2ipa s ASP 23 Cb -0.25 -0.01 0.06 0.00 -0.30 0.00 0.00 42.92 42.43 2ipa s ASP 23 CO 0.31 -0.08 -0.00 -0.36 -0.17 0.00 0.00 175.17 174.86 2ipa s PHE 24 N -0.78 1.79 0.26 -5.34 0.40 -0.17 -0.65 117.98 113.50 2ipa s PHE 24 Ca -0.05 -1.40 0.11 0.00 -0.60 0.00 0.00 56.93 55.00 2ipa s PHE 24 Cb -0.06 -1.38 -0.05 0.00 0.51 0.00 0.00 43.02 42.04 2ipa s PHE 24 CO 0.00 -0.72 -0.18 1.67 0.70 0.00 0.00 175.22 176.69 2ipa s TRP 25 N 1.60 2.13 0.06 0.36 1.48 -1.07 -2.58 118.94 120.92 2ipa s TRP 25 Ca -0.02 -0.40 -0.26 0.00 -1.06 0.00 0.00 56.10 54.36 2ipa s TRP 25 Cb -0.18 -0.94 0.09 0.00 -1.16 0.00 0.00 33.47 31.28 2ipa s TRP 25 CO -0.08 0.62 0.75 0.00 -4.06 0.00 0.00 176.95 174.18 2ipa s ALA 26 N -2.64 -1.72 0.57 2.67 0.00 -1.26 -3.00 121.76 116.37 2ipa s ALA 26 Ca 0.28 0.81 0.28 0.00 0.00 0.00 0.00 51.96 53.33 2ipa s ALA 26 Cb -0.04 0.58 1.50 0.00 0.00 0.00 0.00 23.12 25.16 2ipa s ALA 26 CO 0.13 -0.70 1.98 -1.35 0.00 0.00 0.00 175.76 175.82 2ipa h PRO 27 N 2.06 0.00 -0.06 0.00 0.11 -2.00 -3.10 132.00 129.00 2ipa h PRO 27 Ca -0.28 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.85 2ipa h PRO 27 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2ipa h PRO 27 CO 0.34 0.00 0.08 -1.49 -0.21 0.00 0.00 178.00 176.73 2ipa h TRP 28 N 0.00 0.00 -3.93 0.65 4.06 -2.03 -3.44 115.95 111.27 2ipa h TRP 28 Ca 0.20 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.85 2ipa h TRP 28 Cb 0.95 0.00 -0.20 0.00 -1.00 0.00 0.00 29.16 28.91 2ipa h TRP 28 CO 0.00 0.00 -0.74 0.00 -3.56 0.00 0.00 178.44 174.14 2ipa h GLY 30 N 4.22 0.16 0.40 0.00 0.00 -1.88 -3.14 103.07 102.82 2ipa h GLY 30 Ca -0.37 -0.10 0.20 0.00 0.00 0.00 0.00 47.33 47.06 2ipa h GLY 30 CO 0.44 0.09 0.61 -2.55 0.00 0.00 0.00 176.54 175.13 2ipa h PRO 31 N -0.05 0.00 0.00 4.80 0.11 -1.95 -0.11 132.00 134.80 2ipa h PRO 31 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2ipa h PRO 31 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 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 -0.29 -2.05 0.02 -1.80 0.30 113.55 109.73 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 1.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.08 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 -2.81 2.86 0.00 3.45 4.01 -0.06 -3.92 118.16 121.69 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 0.12 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.29 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 0.17 0.00 -0.09 1.97 2.81 -0.14 -4.54 117.12 117.31 2ipa n MET 34 Ca 0.12 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2ipa n MET 34 Cb 0.50 -0.73 0.27 0.00 -0.71 0.00 0.00 33.22 32.55 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 0.49 2.02 6.09 -0.75 -2.40 117.51 124.15 2ipa h ILE 35 Ca 0.00 -0.62 -0.01 0.00 -1.37 0.00 0.00 64.86 62.86 2ipa h ILE 35 Cb 0.86 0.62 -0.02 0.00 0.47 0.00 0.00 36.82 38.75 2ipa h ILE 35 CO 0.00 0.24 -0.39 0.00 -3.07 0.00 0.00 178.15 174.93 2ipa h ALA 36 N 1.49 -0.91 -0.95 0.18 0.00 -1.72 0.64 119.26 117.99 2ipa h ALA 36 Ca 0.17 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ipa h ALA 36 Cb 0.17 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2ipa h ALA 36 CO -0.01 -1.04 0.62 -1.00 0.00 0.00 0.00 179.25 177.81 2ipa h PRO 37 N -0.87 1.26 -0.89 0.00 0.13 -1.79 -2.54 132.00 127.29 2ipa h PRO 37 Ca -0.05 -0.08 0.08 0.00 -0.87 0.00 0.00 66.00 65.08 2ipa h PRO 37 Cb 0.74 -0.28 -0.06 0.00 0.13 0.00 0.00 31.00 31.53 2ipa h PRO 37 CO -0.01 0.84 0.58 0.28 -0.23 0.00 0.00 178.00 179.46 2ipa h VAL 38 N 1.29 1.01 -0.08 1.56 2.07 -0.96 0.14 116.25 121.28 2ipa h VAL 38 Ca 0.35 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2ipa h VAL 38 Cb -0.13 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.62 2ipa h VAL 38 CO -0.07 0.17 -0.01 -0.07 0.02 0.00 0.00 177.57 177.61 2ipa h LEU 39 N 0.94 0.14 -0.86 2.57 3.38 -0.47 -1.38 115.31 119.63 2ipa h LEU 39 Ca 0.40 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2ipa h LEU 39 Cb 0.31 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2ipa h LEU 39 CO -0.16 0.43 -0.15 -0.33 0.09 0.00 0.00 178.44 178.33 2ipa h GLU 40 N -0.16 0.69 0.00 1.13 5.08 -1.12 -0.62 114.58 119.59 2ipa h GLU 40 Ca 0.02 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2ipa h GLU 40 Cb 0.37 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2ipa h GLU 40 CO 0.01 0.80 -0.14 0.93 -1.00 0.00 0.00 179.01 179.61 2ipa h GLU 41 N 0.62 0.00 0.20 2.33 4.39 -0.72 -2.76 114.58 118.65 2ipa h GLU 41 Ca 0.10 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.45 2ipa h GLU 41 Cb 0.60 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2ipa h GLU 41 CO 0.04 0.14 -1.71 1.25 -1.16 0.00 0.00 179.01 177.57 2ipa h LEU 42 N 0.00 0.66 -0.88 1.33 5.85 -0.12 -3.36 115.31 118.81 2ipa h LEU 42 Ca -0.00 -0.94 -0.11 0.00 0.84 0.00 0.00 57.88 57.67 2ipa h LEU 42 Cb 0.43 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2ipa h LEU 42 CO 0.02 1.78 -0.42 -0.78 -0.34 0.00 0.00 178.44 178.71 2ipa h ASP 43 N 0.11 0.32 0.20 1.25 3.58 -1.06 0.25 116.42 121.07 2ipa h ASP 43 Ca -0.33 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2ipa h ASP 43 Cb 2.11 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 43.08 2ipa h ASP 43 CO 0.20 0.71 0.00 0.00 -2.88 0.00 0.00 179.24 177.26 2ipa n GLN 44 N -4.02 0.33 -0.04 0.28 10.64 -1.05 -0.48 117.38 123.03 2ipa n GLN 44 Ca -0.02 0.09 -0.07 0.00 -1.83 0.00 0.00 57.00 55.18 2ipa n GLN 44 Cb 0.49 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.33 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 -1.19 0.20 -0.28 2.61 2.13 -0.26 -4.84 120.64 119.01 2ipa n GLU 45 Ca 0.09 0.06 0.01 0.00 0.66 0.00 0.00 57.16 57.98 2ipa n GLU 45 Cb 0.10 -1.08 0.02 0.00 0.27 0.00 0.00 31.44 30.75 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 -2.90 0.36 0.00 5.31 0.00 -0.09 -4.79 117.12 115.01 2ipa n MET 46 Ca -0.15 -1.12 0.04 0.00 0.00 0.00 0.00 57.70 56.47 2ipa n MET 46 Cb 0.65 -0.67 0.19 0.00 0.00 0.00 0.00 33.22 33.39 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 -0.23 -0.51 0.27 3.17 0.00 0.37 -1.33 105.19 106.93 2ipa n GLY 47 Ca 0.02 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.87 0.17 116.42 119.91 2ipa h ASP 48 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2ipa h ASP 48 Cb 0.07 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2ipa h ASP 48 CO 0.00 0.09 -1.20 0.29 -2.88 0.00 0.00 179.24 175.54 2ipa n LYS 49 N -3.53 2.54 -3.77 0.28 4.01 -0.44 -4.95 118.16 112.31 2ipa n LYS 49 Ca -0.02 0.01 -0.30 0.00 -0.51 0.00 0.00 58.31 57.49 2ipa n LYS 49 Cb 0.23 -1.07 -0.04 0.00 -0.51 0.00 0.00 35.03 33.63 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 -4.50 4.29 0.13 -0.35 2.96 -0.48 -4.70 118.68 116.02 2ipa s LEU 50 Ca -0.02 0.42 0.07 0.00 -0.22 0.00 0.00 54.13 54.37 2ipa s LEU 50 Cb 0.01 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 2ipa s LEU 50 CO 0.11 0.06 -0.15 -0.75 -1.32 0.00 0.00 176.35 174.29 2ipa s LYS 51 N -2.84 1.07 0.01 1.98 2.20 -0.98 -0.32 119.74 120.86 2ipa s LYS 51 Ca 0.38 -1.25 0.03 0.00 -0.36 0.00 0.00 55.97 54.76 2ipa s LYS 51 Cb -0.12 -1.02 -0.01 0.00 -1.51 0.00 0.00 37.83 35.16 2ipa s LYS 51 CO 0.27 0.20 -0.08 0.42 -0.36 0.00 0.00 175.35 175.80 2ipa s ILE 52 N -2.00 0.62 -0.21 5.43 1.01 -1.23 -1.31 121.20 123.51 2ipa s ILE 52 Ca 0.10 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 2ipa s ILE 52 Cb -0.06 -0.58 0.06 0.00 0.01 0.00 0.00 42.46 41.90 2ipa s ILE 52 CO 0.04 -0.01 0.01 0.68 0.00 0.00 0.00 174.94 175.66 2ipa s VAL 53 N -0.59 0.83 0.51 2.92 -7.23 -0.90 -0.77 120.40 115.18 2ipa s VAL 53 Ca -0.01 -0.79 -0.11 0.00 -1.81 0.00 0.00 61.98 59.26 2ipa s VAL 53 Cb -0.05 -1.28 -0.06 0.00 0.56 0.00 0.00 36.38 35.55 2ipa s VAL 53 CO 0.00 -0.20 0.91 -0.54 -0.31 0.00 0.00 175.10 174.96 2ipa s LYS 54 N 1.71 3.73 -0.09 4.82 1.02 0.30 -1.25 119.74 129.99 2ipa s LYS 54 Ca -0.02 0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.61 2ipa s LYS 54 Cb -0.18 -2.23 0.02 0.00 -0.52 0.00 0.00 37.83 34.93 2ipa s LYS 54 CO -0.08 -0.28 -0.08 0.42 -0.92 0.00 0.00 175.35 174.40 2ipa s ILE 55 N -2.74 0.98 -0.46 2.17 -1.09 0.18 -0.57 121.20 119.66 2ipa s ILE 55 Ca 0.54 -0.31 -0.25 0.00 -2.23 0.00 0.00 60.65 58.40 2ipa s ILE 55 Cb -0.10 -0.97 0.03 0.00 -1.58 0.00 0.00 42.46 39.84 2ipa s ILE 55 CO 0.40 0.34 0.90 -0.62 -1.23 0.00 0.00 174.94 174.74 2ipa s ASP 56 N 1.32 6.47 0.00 3.58 -1.08 -1.26 -2.61 116.67 123.10 2ipa s ASP 56 Ca -0.03 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.06 2ipa s ASP 56 Cb -0.14 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 2ipa s ASP 56 CO -0.04 -1.04 0.66 1.33 0.52 0.00 0.00 175.17 176.61 2ipa n VAL 57 N 6.36 0.00 -0.01 1.11 0.24 -1.16 -1.09 118.33 123.78 2ipa n VAL 57 Ca 0.05 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.34 2ipa n VAL 57 Cb 0.48 -0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 32.67 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 -0.50 4.15 0.01 -1.34 2.03 -1.26 -4.56 116.55 115.08 2ipa n ASP 58 Ca 0.00 -0.01 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 2ipa n ASP 58 Cb 0.00 0.28 -0.14 0.00 -0.72 0.00 0.00 41.12 40.54 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 0.25 -0.54 -0.67 4.81 -1.91 -3.42 114.58 113.09 2ipa h GLU 59 Ca -0.06 -0.43 -0.27 0.00 -0.13 0.00 0.00 59.36 58.47 2ipa h GLU 59 Cb 1.12 0.16 -0.38 0.00 0.63 0.00 0.00 28.75 30.28 2ipa h GLU 59 CO -0.00 1.21 -1.07 0.27 -0.73 0.00 0.00 179.01 178.69 2ipa n ASN 60 N -3.86 1.25 0.00 1.04 0.23 -0.25 -4.94 115.26 108.74 2ipa n ASN 60 Ca -0.26 -2.23 0.13 0.00 -0.53 0.00 0.00 54.58 51.69 2ipa n ASN 60 Cb 0.93 -0.38 0.71 0.00 -2.08 0.00 0.00 39.78 38.96 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 -0.52 0.51 -0.26 -3.83 -0.00 -1.09 -4.19 117.38 108.00 2ipa n GLN 61 Ca 0.06 0.03 0.05 0.00 -0.00 0.00 0.00 57.00 57.13 2ipa n GLN 61 Cb 0.81 -1.50 0.18 0.00 -0.00 0.00 0.00 30.24 29.73 2ipa n GLN 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2ipa h GLU 62 N 0.00 0.51 -0.91 2.61 4.39 -1.92 0.26 114.58 119.52 2ipa h GLU 62 Ca 0.00 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.72 2ipa h GLU 62 Cb 0.19 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.67 2ipa h GLU 62 CO 0.00 0.33 0.60 1.15 -1.16 0.00 0.00 179.01 179.93 2ipa h THR 63 N 0.52 1.11 0.37 1.13 2.02 -1.82 -0.22 112.91 116.01 2ipa h THR 63 Ca 0.41 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 2ipa h THR 63 Cb 0.57 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2ipa h THR 63 CO -0.36 0.20 -0.18 0.00 0.37 0.00 0.00 175.52 175.55 2ipa h ALA 64 N 1.49 -0.76 -0.95 6.16 0.00 -0.78 -0.46 119.26 123.95 2ipa h ALA 64 Ca 0.38 -0.11 0.25 0.00 0.00 0.00 0.00 54.91 55.43 2ipa h ALA 64 Cb 0.11 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 17.96 2ipa h ALA 64 CO -0.13 -0.73 0.48 0.78 0.00 0.00 0.00 179.25 179.66 2ipa h GLY 65 N -0.70 1.75 0.99 0.00 0.00 -1.47 -0.68 103.07 102.95 2ipa h GLY 65 Ca -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2ipa h GLY 65 CO 0.08 -0.31 0.30 1.70 0.00 0.00 0.00 176.54 178.31 2ipa h LYS 66 N 0.43 0.86 0.00 4.80 3.64 -0.89 -1.38 116.57 124.04 2ipa h LYS 66 Ca 0.62 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 2ipa h LYS 66 Cb 1.23 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2ipa h LYS 66 CO -0.53 0.68 0.00 0.66 -2.27 0.00 0.00 179.45 177.99 2ipa n TYR 67 N -4.54 0.00 -2.65 1.91 4.02 -0.19 -4.94 117.16 110.77 2ipa n TYR 67 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.83 2ipa n TYR 67 Cb 0.11 -0.47 0.05 0.00 -0.02 0.00 0.00 39.34 39.01 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 0.96 -0.47 0.04 2.72 0.00 -0.39 -5.01 105.19 103.05 2ipa n GLY 68 Ca 0.07 0.29 -0.03 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 -2.61 0.85 -0.68 1.61 0.31 -0.47 -4.95 118.33 112.38 2ipa n VAL 69 Ca -0.05 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2ipa n VAL 69 Cb 0.58 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 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 -3.66 -1.03 -4.03 5.55 2.81 -1.26 -4.89 117.12 110.61 2ipa n MET 70 Ca -0.05 0.23 -0.08 0.00 -1.81 0.00 0.00 57.70 56.00 2ipa n MET 70 Cb 0.17 -4.46 -0.10 0.00 -0.71 0.00 0.00 33.22 28.13 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 -1.80 0.37 -0.00 7.83 1.04 -1.26 -5.15 113.70 114.73 2ipa s SER 71 Ca 0.00 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2ipa s SER 71 Cb 0.00 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2ipa s SER 71 CO 0.00 -0.54 -0.01 -0.63 0.98 0.00 0.00 173.24 173.04 2ipa s ILE 72 N -3.26 0.10 0.22 -1.02 -1.09 -1.26 -3.74 121.20 111.15 2ipa s ILE 72 Ca 0.01 -0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.08 2ipa s ILE 72 Cb 0.03 -0.10 -0.08 0.00 -1.58 0.00 0.00 42.46 40.73 2ipa s ILE 72 CO -0.08 0.03 0.96 -2.16 -1.23 0.00 0.00 174.94 172.47 2ipa s PRO 73 N 0.02 4.80 0.00 2.79 0.04 -1.26 -4.76 135.00 136.63 2ipa s PRO 73 Ca 0.00 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.60 2ipa s PRO 73 Cb -0.01 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 2ipa s PRO 73 CO -0.00 0.42 -0.11 0.99 0.04 0.00 0.00 177.00 178.33 2ipa s THR 74 N -0.91 3.30 -0.12 1.26 2.01 -1.06 -0.98 115.64 119.15 2ipa s THR 74 Ca 0.43 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.59 2ipa s THR 74 Cb -0.26 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 69.86 2ipa s THR 74 CO 0.32 0.42 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.70 2ipa s LEU 75 N -1.28 2.05 -0.25 4.42 1.43 0.06 -1.00 118.68 124.11 2ipa s LEU 75 Ca 0.15 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2ipa s LEU 75 Cb -0.11 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.77 2ipa s LEU 75 CO 0.05 0.11 -0.07 -0.76 0.23 0.00 0.00 176.35 175.91 2ipa s LEU 76 N 0.61 3.20 -0.24 1.79 1.43 -0.40 -1.16 118.68 123.91 2ipa s LEU 76 Ca -0.13 -0.97 -0.15 0.00 -1.03 0.00 0.00 54.13 51.86 2ipa s LEU 76 Cb -0.17 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 2ipa s LEU 76 CO 0.03 -0.14 0.37 -0.69 0.23 0.00 0.00 176.35 176.15 2ipa s VAL 77 N 1.28 5.19 0.16 -1.59 1.01 -0.20 -0.75 120.40 125.51 2ipa s VAL 77 Ca -0.01 0.60 0.10 0.00 0.00 0.00 0.00 61.98 62.67 2ipa s VAL 77 Cb -0.17 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2ipa s VAL 77 CO -0.05 0.20 -0.23 -0.76 0.00 0.00 0.00 175.10 174.26 2ipa s LEU 78 N 1.75 2.39 -0.03 3.92 1.02 -0.32 -0.99 118.68 126.43 2ipa s LEU 78 Ca 0.16 -0.82 0.01 0.00 0.02 0.00 0.00 54.13 53.50 2ipa s LEU 78 Cb -0.15 -1.06 0.02 0.00 0.02 0.00 0.00 46.19 45.02 2ipa s LEU 78 CO 0.09 0.09 -0.01 -0.54 0.02 0.00 0.00 176.35 175.99 2ipa s LYS 79 N -2.48 0.40 -1.05 1.70 1.02 0.55 -1.42 119.74 118.46 2ipa s LYS 79 Ca 0.16 0.02 -0.12 0.00 0.02 0.00 0.00 55.97 56.06 2ipa s LYS 79 Cb -0.08 -0.53 0.11 0.00 -0.52 0.00 0.00 37.83 36.82 2ipa s LYS 79 CO 0.08 -0.10 0.35 -3.47 -0.92 0.00 0.00 175.35 171.28 2ipa n ASP 80 N 4.01 -1.94 0.00 2.83 2.03 0.11 -1.32 116.55 122.26 2ipa n ASP 80 Ca -0.26 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.65 2ipa n ASP 80 Cb 0.51 -1.71 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 -0.87 1.01 3.03 0.27 0.00 -0.01 -4.61 105.19 104.01 2ipa n GLY 81 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.30 0.45 0.36 1.61 -1.05 -0.43 -4.84 118.70 114.49 2ipa s GLU 82 Ca 0.00 -0.80 -0.27 0.00 -0.15 0.00 0.00 54.97 53.75 2ipa s GLU 82 Cb 0.00 0.01 -0.09 0.00 -0.44 0.00 0.00 34.13 33.60 2ipa s GLU 82 CO 0.00 -0.03 1.23 0.08 0.95 0.00 0.00 175.26 177.49 2ipa s VAL 83 N -2.01 2.94 0.00 1.83 1.01 -1.26 -0.33 120.40 122.59 2ipa s VAL 83 Ca -0.09 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.77 2ipa s VAL 83 Cb -0.06 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2ipa s VAL 83 CO -0.02 0.15 0.00 1.33 0.00 0.00 0.00 175.10 176.56 2ipa n VAL 84 N 0.47 0.00 -3.85 2.92 0.24 -0.16 -4.86 118.33 113.08 2ipa n VAL 84 Ca 0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.23 2ipa n VAL 84 Cb 0.44 0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 32.81 2ipa n VAL 84 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ipa s GLU 85 N -1.25 1.42 -0.25 7.34 2.56 -1.07 -5.03 118.70 122.41 2ipa s GLU 85 Ca 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 54.97 53.79 2ipa s GLU 85 Cb 0.00 0.49 0.07 0.00 2.00 0.00 0.00 34.13 36.69 2ipa s GLU 85 CO 0.00 -0.59 0.63 0.99 -0.56 0.00 0.00 175.26 175.73 2ipa s THR 86 N -3.93 -0.00 -0.02 -1.70 2.01 -1.26 -1.03 115.64 109.70 2ipa s THR 86 Ca 0.14 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.04 2ipa s THR 86 Cb -0.01 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.61 2ipa s THR 86 CO 0.01 0.01 0.25 -0.44 -0.69 0.00 0.00 174.62 173.75 2ipa s SER 87 N 1.28 -0.13 -0.06 3.53 0.01 -0.30 -5.01 113.70 113.01 2ipa s SER 87 Ca -0.07 0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.23 2ipa s SER 87 Cb -0.05 0.31 0.03 0.00 0.21 0.00 0.00 66.02 66.51 2ipa s SER 87 CO -0.14 -0.37 -0.02 -0.69 0.41 0.00 0.00 173.24 172.43 2ipa s VAL 88 N -1.15 0.43 0.00 3.43 1.01 -1.26 -0.76 120.40 122.09 2ipa s VAL 88 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2ipa s VAL 88 Cb -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.79 2ipa s VAL 88 CO 0.03 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2ipa n GLY 89 N 4.67 3.62 3.75 4.51 0.00 -0.15 -5.01 105.19 116.58 2ipa n GLY 89 Ca -0.15 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.46 2.31 -0.06 1.61 5.36 -1.26 -4.80 117.98 118.68 2ipa s PHE 90 Ca 0.00 1.48 -0.21 0.00 -0.96 0.00 0.00 56.93 57.24 2ipa s PHE 90 Cb 0.00 -3.60 0.04 0.00 -0.34 0.00 0.00 43.02 39.12 2ipa s PHE 90 CO 0.00 -2.51 0.48 -1.59 -1.46 0.00 0.00 175.22 170.13 2ipa s LYS 91 N -3.21 0.79 1.16 10.12 0.00 -1.26 -5.13 119.74 122.21 2ipa s LYS 91 Ca 0.77 0.14 -0.19 0.00 0.00 0.00 0.00 55.97 56.69 2ipa s LYS 91 Cb -0.34 0.36 0.27 0.00 0.00 0.00 0.00 37.83 38.12 2ipa s LYS 91 CO 0.38 -0.21 1.14 -1.25 0.00 0.00 0.00 175.35 175.41 2ipa s PRO 92 N -0.97 -0.88 0.44 1.78 0.04 -1.26 -4.60 135.00 129.54 2ipa s PRO 92 Ca -0.10 -0.12 0.11 0.00 0.04 0.00 0.00 61.00 60.94 2ipa s PRO 92 Cb -0.03 -1.64 0.99 0.00 0.04 0.00 0.00 34.50 33.86 2ipa s PRO 92 CO 0.06 -3.48 2.04 -0.22 0.04 0.00 0.00 177.00 175.44 2ipa h LYS 93 N -2.41 0.40 0.22 4.56 3.11 -1.98 0.21 116.57 120.69 2ipa h LYS 93 Ca -0.45 -0.02 -0.32 0.00 -2.81 0.00 0.00 60.65 57.04 2ipa h LYS 93 Cb 1.28 -0.09 0.03 0.00 -1.00 0.00 0.00 32.23 32.45 2ipa h LYS 93 CO 0.35 0.27 -1.48 0.93 -2.81 0.00 0.00 179.45 176.70 2ipa h GLU 94 N 0.41 0.46 -0.93 1.90 3.07 -1.98 -2.77 114.58 114.76 2ipa h GLU 94 Ca 0.18 -0.79 -0.01 0.00 -0.50 0.00 0.00 59.36 58.24 2ipa h GLU 94 Cb 0.18 0.29 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 2ipa h GLU 94 CO -0.04 1.38 0.55 0.00 -1.40 0.00 0.00 179.01 179.50 2ipa h ALA 95 N 0.12 1.18 0.13 3.43 0.00 -1.71 0.59 119.26 122.99 2ipa h ALA 95 Ca -0.27 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2ipa h ALA 95 Cb 2.08 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2ipa h ALA 95 CO 0.23 0.65 -0.15 1.25 0.00 0.00 0.00 179.25 181.22 2ipa h LEU 96 N 1.28 -0.40 -0.67 0.00 5.85 -1.04 -1.40 115.31 118.93 2ipa h LEU 96 Ca 0.33 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.96 2ipa h LEU 96 Cb -0.04 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2ipa h LEU 96 CO -0.06 -0.22 -0.36 0.06 -0.34 0.00 0.00 178.44 177.51 2ipa h GLN 97 N -0.32 0.62 -0.34 1.25 3.07 -1.18 -2.72 115.11 115.50 2ipa h GLN 97 Ca 0.01 -0.30 0.00 0.00 0.09 0.00 0.00 58.65 58.45 2ipa h GLN 97 Cb 0.31 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.85 2ipa h GLN 97 CO -0.06 0.89 0.22 1.49 0.09 0.00 0.00 178.83 181.47 2ipa h GLU 98 N 0.52 0.45 -0.98 0.06 4.81 -0.72 0.24 114.58 118.95 2ipa h GLU 98 Ca 0.05 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2ipa h GLU 98 Cb 0.87 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 2ipa h GLU 98 CO 0.07 0.30 0.64 1.25 -0.73 0.00 0.00 179.01 180.54 2ipa h LEU 99 N 0.46 1.05 0.15 1.64 5.85 -0.99 -1.68 115.31 121.79 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 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 2ipa h LEU 99 CO -0.03 0.71 -1.84 1.62 -0.34 0.00 0.00 178.44 178.56 2ipa h VAL 100 N 1.21 0.79 -0.56 1.05 3.04 -1.35 -3.38 116.25 117.06 2ipa h VAL 100 Ca 0.40 -2.41 0.06 0.00 -1.01 0.00 0.00 66.70 63.74 2ipa h VAL 100 Cb 0.05 2.62 -0.03 0.00 -2.01 0.00 0.00 31.29 31.92 2ipa h VAL 100 CO -0.14 0.86 0.37 -1.13 -1.01 0.00 0.00 177.57 176.52 2ipa h ASN 101 N 0.03 0.46 0.24 3.17 -1.24 -0.35 0.73 115.58 118.62 2ipa h ASN 101 Ca -0.38 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.63 2ipa h ASN 101 Cb 2.02 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.97 2ipa h ASN 101 CO 0.12 0.30 0.00 2.29 -1.29 0.00 0.00 177.43 178.84 2ipa n LYS 102 N -4.47 0.04 0.00 6.67 2.85 -0.65 -3.15 118.16 119.45 2ipa n LYS 102 Ca 0.08 0.31 0.00 0.00 -1.05 0.00 0.00 58.31 57.65 2ipa n LYS 102 Cb 0.24 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 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 -1.44 0.00 0.00 5.58 8.25 -0.41 -5.13 115.22 122.07 2ipa n HIS 103 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2ipa n HIS 103 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87