#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ipa n ALA 2 N 0.00 -3.47 -2.98 -5.12 0.00 -1.26 -4.78 120.51 102.89 2ipa n ALA 2 Ca 0.00 0.85 -0.45 0.00 0.00 0.00 0.00 53.44 53.84 2ipa n ALA 2 Cb 0.00 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 17.95 2ipa n ALA 2 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ipa s ILE 3 N -4.12 4.99 0.87 0.00 1.09 -1.26 -4.00 121.20 118.77 2ipa s ILE 3 Ca 0.00 -0.93 -0.12 0.00 -1.10 0.00 0.00 60.65 58.50 2ipa s ILE 3 Cb 0.00 -4.33 0.12 0.00 -1.06 0.00 0.00 42.46 37.19 2ipa s ILE 3 CO 0.00 -0.87 1.10 -0.69 -0.10 0.00 0.00 174.94 174.39 2ipa s VAL 4 N 2.28 2.58 -0.04 2.92 1.01 -0.02 -4.90 120.40 124.23 2ipa s VAL 4 Ca 0.10 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2ipa s VAL 4 Cb -0.24 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2ipa s VAL 4 CO 0.08 -0.25 -0.10 -0.75 0.00 0.00 0.00 175.10 174.08 2ipa s LYS 5 N -5.11 1.22 0.52 2.72 2.20 -1.26 -0.50 119.74 119.53 2ipa s LYS 5 Ca 0.63 -0.35 0.08 0.00 -0.36 0.00 0.00 55.97 55.96 2ipa s LYS 5 Cb -0.16 -1.09 0.04 0.00 -1.51 0.00 0.00 37.83 35.11 2ipa s LYS 5 CO 0.55 0.09 0.57 0.00 -0.36 0.00 0.00 175.35 176.21 2ipa s ALA 6 N 0.34 4.49 0.03 3.13 0.00 0.25 -4.88 121.76 125.12 2ipa s ALA 6 Ca -0.07 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.12 2ipa s ALA 6 Cb -0.11 -1.18 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 2ipa s ALA 6 CO 0.01 -0.55 0.02 0.25 0.00 0.00 0.00 175.76 175.49 2ipa n THR 7 N -1.93 0.00 -0.50 0.00 -2.24 -1.26 -4.71 114.28 103.65 2ipa n THR 7 Ca 0.07 -0.18 0.43 0.00 -2.27 0.00 0.00 64.05 62.10 2ipa n THR 7 Cb 0.62 0.09 0.78 0.00 -2.10 0.00 0.00 70.33 69.71 2ipa n THR 7 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2ipa h ASP 8 N 0.15 0.02 0.00 3.42 3.58 -1.92 -2.59 116.42 119.08 2ipa h ASP 8 Ca -0.02 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2ipa h ASP 8 Cb 0.09 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2ipa h ASP 8 CO 0.03 -0.01 -0.08 0.00 -2.88 0.00 0.00 179.24 176.30 2ipa n GLN 9 N -4.10 4.06 -0.14 0.28 6.02 -1.26 -4.69 117.38 117.54 2ipa n GLN 9 Ca 0.34 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.37 2ipa n GLN 9 Cb 1.58 -0.54 0.34 0.00 1.02 0.00 0.00 30.24 32.64 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 0.68 -2.87 1.08 0.02 -1.93 -3.25 113.55 107.28 2ipa h SER 10 Ca 0.00 -0.01 -0.55 0.00 -0.84 0.00 0.00 61.79 60.39 2ipa h SER 10 Cb 0.02 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2ipa h SER 10 CO 0.00 0.47 0.89 0.12 -1.14 0.00 0.00 176.83 177.17 2ipa s PHE 11 N -5.68 2.71 0.00 3.45 2.19 -0.98 -0.55 117.98 119.12 2ipa s PHE 11 Ca -0.10 0.79 0.00 0.00 0.33 0.00 0.00 56.93 57.95 2ipa s PHE 11 Cb 0.18 -3.64 0.00 0.00 -1.31 0.00 0.00 43.02 38.25 2ipa s PHE 11 CO 0.76 -2.39 0.00 0.43 1.83 0.00 0.00 175.22 175.85 2ipa n SER 12 N 6.04 0.00 -0.26 6.13 7.64 -1.26 -4.86 113.62 127.06 2ipa n SER 12 Ca 0.14 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.95 2ipa n SER 12 Cb 0.44 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.69 2ipa n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ipa h ALA 13 N 0.00 0.96 -0.00 -0.43 0.00 -1.35 -1.08 119.26 117.36 2ipa h ALA 13 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2ipa h ALA 13 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2ipa h ALA 13 CO 0.00 0.65 -0.08 0.39 0.00 0.00 0.00 179.25 180.21 2ipa n GLU 14 N -4.26 0.08 0.00 0.00 -0.58 0.29 -4.24 120.64 111.93 2ipa n GLU 14 Ca 0.06 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 2ipa n GLU 14 Cb 0.24 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 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 -1.45 0.00 1.85 2.62 -2.24 -0.74 -4.74 114.28 109.59 2ipa n THR 15 Ca 0.08 -0.43 0.16 0.00 -2.27 0.00 0.00 64.05 61.59 2ipa n THR 15 Cb 0.32 1.05 0.90 0.00 -2.10 0.00 0.00 70.33 70.50 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 0.00 -3.95 3.42 7.64 -0.48 -4.04 113.62 115.65 2ipa n SER 16 Ca 0.00 -0.78 -0.10 0.00 1.01 0.00 0.00 58.87 59.00 2ipa n SER 16 Cb 0.01 -0.07 -0.12 0.00 -1.01 0.00 0.00 64.21 63.02 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 -2.15 0.25 0.93 1.43 2.02 -1.26 -2.61 118.70 117.31 2ipa s GLU 17 Ca 0.43 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.97 2ipa s GLU 17 Cb 0.22 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.54 2ipa s GLU 17 CO 0.39 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.04 2ipa n GLY 18 N 1.94 -1.72 3.73 -1.39 0.00 -1.26 -4.63 105.19 101.86 2ipa n GLY 18 Ca -0.21 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.79 5.31 -0.07 1.61 1.01 -1.26 -0.76 120.40 125.44 2ipa s VAL 19 Ca 0.00 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 2ipa s VAL 19 Cb 0.00 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2ipa s VAL 19 CO 0.00 0.39 0.01 -0.69 0.00 0.00 0.00 175.10 174.81 2ipa s VAL 20 N 0.48 0.32 -0.51 2.92 1.01 0.11 -2.62 120.40 122.11 2ipa s VAL 20 Ca 0.16 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.03 2ipa s VAL 20 Cb -0.13 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.78 2ipa s VAL 20 CO 0.04 0.23 0.89 -0.22 0.00 0.00 0.00 175.10 176.04 2ipa s LEU 21 N 1.99 4.15 -0.00 3.92 1.98 -0.16 -0.71 118.68 129.85 2ipa s LEU 21 Ca 0.05 -0.23 -0.07 0.00 -2.89 0.00 0.00 54.13 50.99 2ipa s LEU 21 Cb -0.12 -2.92 -0.05 0.00 0.66 0.00 0.00 46.19 43.76 2ipa s LEU 21 CO -0.05 -1.11 0.27 0.00 -1.89 0.00 0.00 176.35 173.56 2ipa s ALA 22 N 3.72 3.84 0.06 5.97 0.00 -0.42 -1.02 121.76 133.90 2ipa s ALA 22 Ca 0.31 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.74 2ipa s ALA 22 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 2ipa s ALA 22 CO 0.21 0.63 -0.08 0.34 0.00 0.00 0.00 175.76 176.86 2ipa s ASP 23 N -1.58 0.96 -0.16 0.00 2.15 0.34 -1.35 116.67 117.03 2ipa s ASP 23 Ca 0.26 -0.66 -0.01 0.00 0.43 0.00 0.00 52.55 52.56 2ipa s ASP 23 Cb -0.13 0.05 0.05 0.00 -0.30 0.00 0.00 42.92 42.58 2ipa s ASP 23 CO 0.15 -0.26 -0.01 -0.36 -0.17 0.00 0.00 175.17 174.51 2ipa s PHE 24 N -1.92 1.27 0.06 -5.34 0.40 0.10 -0.54 117.98 112.01 2ipa s PHE 24 Ca -0.04 -0.84 0.02 0.00 -0.60 0.00 0.00 56.93 55.47 2ipa s PHE 24 Cb -0.06 -1.12 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 2ipa s PHE 24 CO -0.01 -0.56 -0.08 1.67 0.70 0.00 0.00 175.22 176.94 2ipa s TRP 25 N 1.77 0.77 -0.01 0.36 1.48 -0.68 -2.62 118.94 120.03 2ipa s TRP 25 Ca 0.01 -0.62 -0.29 0.00 -1.06 0.00 0.00 56.10 54.13 2ipa s TRP 25 Cb -0.15 -0.45 0.10 0.00 -1.16 0.00 0.00 33.47 31.80 2ipa s TRP 25 CO -0.07 -0.09 1.01 0.00 -4.06 0.00 0.00 176.95 173.73 2ipa s ALA 26 N -2.06 -1.88 0.24 2.67 0.00 -1.26 -0.70 121.76 118.78 2ipa s ALA 26 Ca -0.03 0.89 0.21 0.00 0.00 0.00 0.00 51.96 53.04 2ipa s ALA 26 Cb -0.05 0.36 1.16 0.00 0.00 0.00 0.00 23.12 24.59 2ipa s ALA 26 CO -0.01 -0.79 1.61 -1.35 0.00 0.00 0.00 175.76 175.22 2ipa h PRO 27 N 2.00 0.00 -0.17 0.00 0.11 -1.97 -3.22 132.00 128.75 2ipa h PRO 27 Ca -0.21 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.95 2ipa h PRO 27 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2ipa h PRO 27 CO 0.28 0.00 0.15 -1.49 -0.21 0.00 0.00 178.00 176.73 2ipa h TRP 28 N 0.00 0.00 -3.92 0.65 4.06 -1.96 -3.45 115.95 111.34 2ipa h TRP 28 Ca 0.00 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.75 2ipa h TRP 28 Cb 0.52 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.53 2ipa h TRP 28 CO 0.00 0.00 -0.69 0.00 -3.56 0.00 0.00 178.44 174.19 2ipa h GLY 30 N 3.09 0.17 -0.26 0.00 0.00 -1.91 -3.17 103.07 101.00 2ipa h GLY 30 Ca -0.35 -0.10 0.32 0.00 0.00 0.00 0.00 47.33 47.20 2ipa h GLY 30 CO 0.64 0.09 0.80 -2.55 0.00 0.00 0.00 176.54 175.52 2ipa h PRO 31 N -0.01 0.04 -0.07 4.80 0.11 -1.96 0.28 132.00 135.20 2ipa h PRO 31 Ca 0.03 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.16 2ipa h PRO 31 Cb 0.20 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 2ipa h PRO 31 CO -0.00 0.03 0.08 0.77 -0.21 0.00 0.00 178.00 178.67 2ipa h SER 32 N 0.04 0.00 -0.60 -2.05 0.02 -1.82 0.33 113.55 109.47 2ipa h SER 32 Ca 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 2ipa h SER 32 Cb 2.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.64 2ipa h SER 32 CO -0.04 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.94 2ipa n LYS 33 N -3.84 2.79 0.00 3.45 4.01 0.08 -3.54 118.16 121.12 2ipa n LYS 33 Ca -0.01 -2.46 0.00 0.00 -0.51 0.00 0.00 58.31 55.33 2ipa n LYS 33 Cb 0.18 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 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 1.26 0.00 -0.04 1.97 2.81 -0.17 -4.49 117.12 118.46 2ipa n MET 34 Ca 0.20 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 56.11 2ipa n MET 34 Cb 0.56 -0.76 0.34 0.00 -0.71 0.00 0.00 33.22 32.65 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 1.16 0.55 2.02 6.09 -0.66 -2.01 117.51 124.65 2ipa h ILE 35 Ca 0.00 -0.44 -0.02 0.00 -1.37 0.00 0.00 64.86 63.03 2ipa h ILE 35 Cb 0.96 0.58 -0.01 0.00 0.47 0.00 0.00 36.82 38.81 2ipa h ILE 35 CO 0.00 0.18 -0.45 0.00 -3.07 0.00 0.00 178.15 174.81 2ipa h ALA 36 N 1.61 -1.16 -0.99 0.18 0.00 -1.72 0.04 119.26 117.21 2ipa h ALA 36 Ca 0.16 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2ipa h ALA 36 Cb 0.07 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2ipa h ALA 36 CO -0.02 -1.16 0.65 -1.00 0.00 0.00 0.00 179.25 177.72 2ipa h PRO 37 N -0.97 1.23 -0.85 0.00 0.13 -1.77 -2.24 132.00 127.53 2ipa h PRO 37 Ca -0.07 -0.07 0.08 0.00 -0.87 0.00 0.00 66.00 65.07 2ipa h PRO 37 Cb 0.82 -0.28 -0.07 0.00 0.13 0.00 0.00 31.00 31.60 2ipa h PRO 37 CO 0.00 0.82 0.50 0.28 -0.23 0.00 0.00 178.00 179.37 2ipa h VAL 38 N 1.27 0.96 -0.29 1.56 2.07 -1.11 0.48 116.25 121.19 2ipa h VAL 38 Ca 0.39 -0.30 -0.18 0.00 0.82 0.00 0.00 66.70 67.43 2ipa h VAL 38 Cb -0.02 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2ipa h VAL 38 CO -0.12 0.16 -0.54 -0.07 0.02 0.00 0.00 177.57 177.02 2ipa h LEU 39 N 0.87 0.98 -0.96 2.57 3.38 -0.41 -0.10 115.31 121.64 2ipa h LEU 39 Ca 0.39 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2ipa h LEU 39 Cb 0.29 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2ipa h LEU 39 CO -0.22 1.33 -0.15 -0.33 0.09 0.00 0.00 178.44 179.16 2ipa h GLU 40 N 0.67 0.58 0.00 1.13 5.08 -0.98 0.49 114.58 121.54 2ipa h GLU 40 Ca 0.02 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2ipa h GLU 40 Cb 1.15 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2ipa h GLU 40 CO 0.12 0.71 -0.26 0.93 -1.00 0.00 0.00 179.01 179.51 2ipa h GLU 41 N 0.52 0.00 0.12 2.33 4.39 -0.75 -2.39 114.58 118.80 2ipa h GLU 41 Ca 0.09 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.61 2ipa h GLU 41 Cb 0.57 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2ipa h GLU 41 CO 0.04 0.26 -0.79 1.25 -1.16 0.00 0.00 179.01 178.61 2ipa h LEU 42 N 0.00 0.48 -0.50 1.33 5.85 -0.29 -3.31 115.31 118.88 2ipa h LEU 42 Ca -0.00 -0.93 -0.16 0.00 0.84 0.00 0.00 57.88 57.63 2ipa h LEU 42 Cb 0.69 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2ipa h LEU 42 CO 0.03 1.37 -0.48 -0.78 -0.34 0.00 0.00 178.44 178.25 2ipa h ASP 43 N -0.33 0.75 0.43 1.25 3.58 -0.86 0.28 116.42 121.52 2ipa h ASP 43 Ca -0.13 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2ipa h ASP 43 Cb 1.60 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2ipa h ASP 43 CO 0.15 1.11 0.00 0.00 -2.88 0.00 0.00 179.24 177.62 2ipa n GLN 44 N -4.00 0.00 -0.13 0.28 10.64 -0.91 -0.35 117.38 122.91 2ipa n GLN 44 Ca -0.03 0.29 -0.25 0.00 -1.83 0.00 0.00 57.00 55.18 2ipa n GLN 44 Cb 0.57 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.36 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 -1.51 0.54 -0.20 2.61 2.13 -0.62 -4.83 120.64 118.76 2ipa n GLU 45 Ca 0.03 0.22 0.02 0.00 0.66 0.00 0.00 57.16 58.08 2ipa n GLU 45 Cb 0.15 -1.41 0.02 0.00 0.27 0.00 0.00 31.44 30.47 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 -3.96 0.61 0.00 5.31 0.00 -0.01 -4.75 117.12 114.32 2ipa n MET 46 Ca -0.48 -1.16 0.06 0.00 0.00 0.00 0.00 57.70 56.12 2ipa n MET 46 Cb 0.87 -0.73 0.34 0.00 0.00 0.00 0.00 33.22 33.70 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 -0.30 -0.54 0.23 3.17 0.00 0.53 -1.38 105.19 106.90 2ipa n GLY 47 Ca 0.03 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.85 -0.07 116.42 119.68 2ipa h ASP 48 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2ipa h ASP 48 Cb 0.06 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2ipa h ASP 48 CO 0.00 0.20 -1.35 0.29 -2.88 0.00 0.00 179.24 175.50 2ipa n LYS 49 N -3.54 1.04 -4.53 0.28 4.01 -0.48 -4.97 118.16 109.96 2ipa n LYS 49 Ca -0.01 -0.04 -0.27 0.00 -0.51 0.00 0.00 58.31 57.48 2ipa n LYS 49 Cb 0.35 -1.16 -0.13 0.00 -0.51 0.00 0.00 35.03 33.58 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 -3.78 2.24 -0.02 -0.35 2.96 -0.99 -4.73 118.68 114.02 2ipa s LEU 50 Ca -0.03 -0.64 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 2ipa s LEU 50 Cb 0.04 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 2ipa s LEU 50 CO 0.28 0.16 0.01 -0.75 -1.32 0.00 0.00 176.35 174.72 2ipa s LYS 51 N -1.63 2.84 -0.02 1.98 2.20 -1.08 -0.74 119.74 123.31 2ipa s LYS 51 Ca 0.10 -0.56 0.05 0.00 -0.36 0.00 0.00 55.97 55.19 2ipa s LYS 51 Cb -0.10 -2.71 -0.01 0.00 -1.51 0.00 0.00 37.83 33.51 2ipa s LYS 51 CO 0.04 0.64 -0.15 0.42 -0.36 0.00 0.00 175.35 175.93 2ipa s ILE 52 N -1.06 1.21 0.00 5.43 1.01 -1.26 -0.99 121.20 125.56 2ipa s ILE 52 Ca 0.19 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.20 2ipa s ILE 52 Cb -0.12 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 2ipa s ILE 52 CO 0.09 0.35 -0.05 0.54 0.00 0.00 0.00 174.94 175.87 2ipa s VAL 53 N -0.28 0.35 0.26 2.92 0.11 -0.19 -0.84 120.40 122.72 2ipa s VAL 53 Ca 0.04 -0.34 0.10 0.00 -2.93 0.00 0.00 61.98 58.85 2ipa s VAL 53 Cb -0.07 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2ipa s VAL 53 CO -0.00 -0.00 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.21 2ipa s LYS 54 N -0.37 2.25 -0.12 1.54 1.02 0.35 -0.51 119.74 123.90 2ipa s LYS 54 Ca -0.01 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.56 2ipa s LYS 54 Cb -0.03 -2.15 0.02 0.00 -0.52 0.00 0.00 37.83 35.16 2ipa s LYS 54 CO -0.00 0.37 -0.11 0.42 -0.92 0.00 0.00 175.35 175.11 2ipa s ILE 55 N -2.28 1.24 -0.52 2.17 -1.09 0.30 -0.58 121.20 120.44 2ipa s ILE 55 Ca 0.31 -0.44 -0.28 0.00 -2.23 0.00 0.00 60.65 58.01 2ipa s ILE 55 Cb -0.07 -1.20 0.01 0.00 -1.58 0.00 0.00 42.46 39.62 2ipa s ILE 55 CO 0.19 0.40 1.46 -0.62 -1.23 0.00 0.00 174.94 175.14 2ipa s ASP 56 N 1.51 6.11 -0.03 3.58 -1.08 -1.26 -1.68 116.67 123.82 2ipa s ASP 56 Ca 0.03 0.47 -0.06 0.00 -0.52 0.00 0.00 52.55 52.47 2ipa s ASP 56 Cb -0.13 -2.54 -0.25 0.00 -1.46 0.00 0.00 42.92 38.54 2ipa s ASP 56 CO -0.08 -1.68 3.41 1.33 0.52 0.00 0.00 175.17 178.67 2ipa n VAL 57 N 6.96 2.82 0.00 1.11 0.24 0.13 -0.54 118.33 129.06 2ipa n VAL 57 Ca 0.14 -1.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.03 2ipa n VAL 57 Cb 0.49 -1.98 0.00 0.00 -1.47 0.00 0.00 33.84 30.88 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 2.56 0.00 0.12 -1.34 2.03 -1.26 -4.77 116.55 113.89 2ipa n ASP 58 Ca 0.41 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.53 2ipa n ASP 58 Cb 0.85 0.20 -0.15 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 0.37 0.00 -0.67 4.81 -1.94 -3.39 114.58 113.76 2ipa h GLU 59 Ca 0.00 -0.63 -0.11 0.00 -0.13 0.00 0.00 59.36 58.49 2ipa h GLU 59 Cb 0.00 0.23 -0.24 0.00 0.63 0.00 0.00 28.75 29.38 2ipa h GLU 59 CO 0.00 1.30 -0.81 0.09 -0.73 0.00 0.00 179.01 178.86 2ipa n ASN 60 N -3.60 1.14 0.00 1.04 3.02 0.30 -4.88 115.26 112.29 2ipa n ASN 60 Ca -0.11 -2.53 0.09 0.00 -0.03 0.00 0.00 54.58 51.99 2ipa n ASN 60 Cb 1.05 -0.35 0.44 0.00 -0.61 0.00 0.00 39.78 40.31 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 -0.04 0.22 -0.10 3.52 10.64 -1.01 -3.72 117.38 126.89 2ipa n GLN 61 Ca 0.09 0.13 -0.05 0.00 -1.83 0.00 0.00 57.00 55.34 2ipa n GLN 61 Cb 0.97 -1.50 0.01 0.00 -0.86 0.00 0.00 30.24 28.86 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 0.06 -0.47 2.61 5.08 -1.89 -0.37 114.58 119.60 2ipa h GLU 62 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ipa h GLU 62 Cb 0.18 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2ipa h GLU 62 CO 0.00 0.04 0.31 1.15 -1.00 0.00 0.00 179.01 179.51 2ipa h THR 63 N 0.07 1.12 0.40 1.13 2.02 -1.83 -0.95 112.91 114.87 2ipa h THR 63 Ca 0.18 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2ipa h THR 63 Cb 0.25 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2ipa h THR 63 CO -0.32 0.12 -0.19 0.00 0.37 0.00 0.00 175.52 175.50 2ipa h ALA 64 N 1.70 -0.79 -0.89 6.16 0.00 -1.32 -0.69 119.26 123.43 2ipa h ALA 64 Ca 0.17 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.20 2ipa h ALA 64 Cb -0.07 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 17.77 2ipa h ALA 64 CO -0.04 -0.75 0.12 0.78 0.00 0.00 0.00 179.25 179.36 2ipa h GLY 65 N -0.74 1.22 1.00 0.00 0.00 -1.20 -1.02 103.07 102.33 2ipa h GLY 65 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2ipa h GLY 65 CO 0.09 -0.41 0.44 1.70 0.00 0.00 0.00 176.54 178.36 2ipa h LYS 66 N 0.11 0.90 -0.00 4.80 3.64 -1.04 -2.45 116.57 122.53 2ipa h LYS 66 Ca 0.54 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 2ipa h LYS 66 Cb 1.09 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2ipa h LYS 66 CO -0.75 0.61 -0.11 0.66 -2.27 0.00 0.00 179.45 177.59 2ipa n TYR 67 N -4.59 0.00 -1.39 1.91 4.02 -0.28 -4.94 117.16 111.88 2ipa n TYR 67 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2ipa n TYR 67 Cb 0.03 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 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 1.29 0.20 2.96 2.72 0.00 -0.56 -5.08 105.19 106.72 2ipa n GLY 68 Ca 0.14 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.93 -0.04 0.00 1.61 1.01 -0.68 -4.99 120.40 114.39 2ipa s VAL 69 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.20 2ipa s VAL 69 Cb 0.00 -0.26 0.10 0.00 0.00 0.00 0.00 36.38 36.22 2ipa s VAL 69 CO 0.00 0.06 0.91 1.15 0.00 0.00 0.00 175.10 177.22 2ipa n MET 70 N 4.07 0.00 -4.09 2.72 0.00 -1.26 -2.77 117.12 115.80 2ipa n MET 70 Ca -0.25 -0.97 -0.08 0.00 0.00 0.00 0.00 57.70 56.40 2ipa n MET 70 Cb 0.53 -0.02 -0.10 0.00 0.00 0.00 0.00 33.22 33.63 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 -0.97 0.42 -0.03 3.17 1.04 -1.26 -5.14 113.70 110.93 2ipa s SER 71 Ca 0.08 -1.03 0.04 0.00 0.48 0.00 0.00 55.95 55.52 2ipa s SER 71 Cb 0.09 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 2ipa s SER 71 CO -0.04 -0.64 -0.14 -0.63 0.98 0.00 0.00 173.24 172.77 2ipa s ILE 72 N -3.95 1.14 0.25 -1.02 -1.09 -1.26 -3.74 121.20 111.53 2ipa s ILE 72 Ca 0.11 -0.56 -0.20 0.00 -2.23 0.00 0.00 60.65 57.77 2ipa s ILE 72 Cb 0.08 -0.98 -0.09 0.00 -1.58 0.00 0.00 42.46 39.89 2ipa s ILE 72 CO -0.07 0.33 0.75 -2.16 -1.23 0.00 0.00 174.94 172.56 2ipa s PRO 73 N 0.04 4.24 0.03 2.79 0.04 -1.26 -4.79 135.00 136.10 2ipa s PRO 73 Ca -0.02 0.88 0.06 0.00 0.04 0.00 0.00 61.00 61.96 2ipa s PRO 73 Cb -0.09 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 2ipa s PRO 73 CO 0.01 0.34 -0.13 0.99 0.04 0.00 0.00 177.00 178.25 2ipa s THR 74 N -1.61 3.18 -0.07 1.26 2.01 -1.08 -1.48 115.64 117.86 2ipa s THR 74 Ca 0.46 -1.03 0.05 0.00 0.31 0.00 0.00 61.69 61.47 2ipa s THR 74 Cb -0.16 -2.37 -0.00 0.00 0.01 0.00 0.00 72.50 69.98 2ipa s THR 74 CO 0.21 0.34 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.49 2ipa s LEU 75 N -1.50 2.00 -0.25 4.42 1.43 0.26 -0.72 118.68 124.32 2ipa s LEU 75 Ca 0.16 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2ipa s LEU 75 Cb -0.11 -1.25 0.06 0.00 0.03 0.00 0.00 46.19 44.92 2ipa s LEU 75 CO 0.07 0.18 -0.09 -0.76 0.23 0.00 0.00 176.35 175.98 2ipa s LEU 76 N 0.12 3.11 -0.25 1.79 1.43 -0.46 -1.62 118.68 122.80 2ipa s LEU 76 Ca -0.10 -1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 51.60 2ipa s LEU 76 Cb -0.15 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 2ipa s LEU 76 CO 0.05 -0.21 0.14 -0.69 0.23 0.00 0.00 176.35 175.88 2ipa s VAL 77 N 1.21 5.04 0.18 -1.59 1.01 -0.01 -1.30 120.40 124.94 2ipa s VAL 77 Ca -0.08 0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.09 2ipa s VAL 77 Cb -0.20 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2ipa s VAL 77 CO -0.05 0.32 -0.24 -0.76 0.00 0.00 0.00 175.10 174.36 2ipa s LEU 78 N 1.41 2.43 -0.07 3.92 1.02 0.11 -0.60 118.68 126.91 2ipa s LEU 78 Ca 0.07 -0.85 -0.03 0.00 0.02 0.00 0.00 54.13 53.34 2ipa s LEU 78 Cb -0.15 -1.18 0.04 0.00 0.02 0.00 0.00 46.19 44.92 2ipa s LEU 78 CO 0.07 0.13 0.15 -1.59 0.02 0.00 0.00 176.35 175.12 2ipa s LYS 79 N -2.59 0.09 -0.45 1.70 -2.85 0.46 -0.71 119.74 115.39 2ipa s LYS 79 Ca 0.20 0.37 -0.02 0.00 -1.00 0.00 0.00 55.97 55.51 2ipa s LYS 79 Cb -0.08 -0.17 0.02 0.00 -2.06 0.00 0.00 37.83 35.54 2ipa s LYS 79 CO 0.09 -0.16 0.08 -3.47 0.10 0.00 0.00 175.35 171.99 2ipa n ASP 80 N 4.18 -1.86 0.00 0.03 2.03 0.06 -1.57 116.55 119.42 2ipa n ASP 80 Ca -0.26 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2ipa n ASP 80 Cb 0.52 -1.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 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 1.67 3.05 0.27 0.00 -1.07 -4.75 105.19 103.70 2ipa n GLY 81 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 0.50 0.30 1.61 -1.05 -0.61 -4.93 118.70 114.53 2ipa s GLU 82 Ca 0.00 -0.71 -0.29 0.00 -0.15 0.00 0.00 54.97 53.82 2ipa s GLU 82 Cb 0.00 -0.25 -0.10 0.00 -0.44 0.00 0.00 34.13 33.34 2ipa s GLU 82 CO 0.00 0.04 1.31 0.54 0.95 0.00 0.00 175.26 178.10 2ipa s VAL 83 N -1.32 2.82 0.00 1.83 0.11 -1.26 -0.41 120.40 122.17 2ipa s VAL 83 Ca -0.10 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 2ipa s VAL 83 Cb -0.10 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 2ipa s VAL 83 CO 0.00 0.17 0.00 0.55 -3.33 0.00 0.00 175.10 172.50 2ipa n VAL 84 N 1.20 0.00 -3.94 2.04 3.14 0.24 -4.89 118.33 116.12 2ipa n VAL 84 Ca 0.01 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.31 2ipa n VAL 84 Cb 0.42 -0.20 -0.09 0.00 -1.06 0.00 0.00 33.84 32.91 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 -1.21 0.68 -0.21 1.45 0.41 -0.99 -5.03 118.70 113.81 2ipa s GLU 85 Ca 0.00 -0.91 -0.14 0.00 -0.41 0.00 0.00 54.97 53.51 2ipa s GLU 85 Cb 0.00 0.26 0.06 0.00 -1.78 0.00 0.00 34.13 32.67 2ipa s GLU 85 CO 0.00 -0.18 0.52 0.99 -0.49 0.00 0.00 175.26 176.10 2ipa s THR 86 N -3.27 -0.01 -0.05 3.63 2.01 -1.26 -0.83 115.64 115.85 2ipa s THR 86 Ca 0.01 0.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.82 2ipa s THR 86 Cb 0.03 -0.74 0.05 0.00 0.01 0.00 0.00 72.50 71.84 2ipa s THR 86 CO -0.08 0.02 0.51 -0.55 -0.69 0.00 0.00 174.62 173.83 2ipa s SER 87 N 1.07 -0.46 -0.41 3.53 0.15 -0.64 -5.02 113.70 111.93 2ipa s SER 87 Ca -0.06 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.12 2ipa s SER 87 Cb -0.06 0.52 0.16 0.00 -1.71 0.00 0.00 66.02 64.93 2ipa s SER 87 CO -0.10 -0.49 0.31 -0.69 1.20 0.00 0.00 173.24 173.47 2ipa s VAL 88 N -1.07 0.43 0.00 4.45 1.01 -1.26 -0.57 120.40 123.39 2ipa s VAL 88 Ca -0.11 -2.49 0.00 0.00 0.00 0.00 0.00 61.98 59.38 2ipa s VAL 88 Cb -0.03 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2ipa s VAL 88 CO 0.07 -1.16 0.00 0.61 0.00 0.00 0.00 175.10 174.62 2ipa n GLY 89 N 3.12 2.88 3.76 4.51 0.00 -0.55 -4.95 105.19 113.97 2ipa n GLY 89 Ca 0.24 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 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 2.72 -0.01 1.61 5.36 -1.26 -4.68 117.98 119.73 2ipa s PHE 90 Ca 0.00 1.47 0.02 0.00 -0.96 0.00 0.00 56.93 57.46 2ipa s PHE 90 Cb 0.00 -3.54 -0.00 0.00 -0.34 0.00 0.00 43.02 39.14 2ipa s PHE 90 CO 0.00 -1.96 -0.05 0.15 -1.46 0.00 0.00 175.22 171.90 2ipa s LYS 91 N -2.65 0.45 1.02 10.12 3.01 -1.26 -5.10 119.74 125.33 2ipa s LYS 91 Ca 0.64 -0.17 -0.12 0.00 -1.01 0.00 0.00 55.97 55.30 2ipa s LYS 91 Cb -0.33 -0.44 0.20 0.00 -1.01 0.00 0.00 37.83 36.24 2ipa s LYS 91 CO 0.41 0.09 1.09 -1.25 0.51 0.00 0.00 175.35 176.20 2ipa s PRO 92 N -0.01 0.26 0.24 -1.68 0.04 -1.26 -4.67 135.00 127.92 2ipa s PRO 92 Ca 0.01 0.52 -0.09 0.00 0.04 0.00 0.00 61.00 61.47 2ipa s PRO 92 Cb -0.03 -1.72 0.38 0.00 0.04 0.00 0.00 34.50 33.17 2ipa s PRO 92 CO -0.00 -2.84 1.62 -0.22 0.04 0.00 0.00 177.00 175.60 2ipa h LYS 93 N -1.97 0.06 -0.30 4.56 1.63 -1.96 -0.20 116.57 118.39 2ipa h LYS 93 Ca -0.55 -0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.12 2ipa h LYS 93 Cb 1.33 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.94 2ipa h LYS 93 CO 0.57 0.04 -0.29 0.93 -3.45 0.00 0.00 179.45 177.25 2ipa h GLU 94 N 0.06 0.73 -0.46 1.90 5.08 -1.98 -1.17 114.58 118.74 2ipa h GLU 94 Ca 0.39 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2ipa h GLU 94 Cb 0.65 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2ipa h GLU 94 CO -0.70 1.00 -0.00 0.00 -1.00 0.00 0.00 179.01 178.31 2ipa h ALA 95 N 0.72 1.13 0.45 3.43 0.00 -1.71 0.23 119.26 123.52 2ipa h ALA 95 Ca 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2ipa h ALA 95 Cb 0.86 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ipa h ALA 95 CO 0.07 0.56 -0.22 1.25 0.00 0.00 0.00 179.25 180.91 2ipa h LEU 96 N 0.71 -0.51 -0.87 0.00 7.12 -0.87 -1.14 115.31 119.74 2ipa h LEU 96 Ca 0.14 0.02 -0.08 0.00 0.13 0.00 0.00 57.88 58.09 2ipa h LEU 96 Cb 0.44 0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.68 2ipa h LEU 96 CO 0.02 -0.36 0.00 0.06 -0.13 0.00 0.00 178.44 178.03 2ipa h GLN 97 N -0.61 0.84 -0.25 1.25 3.07 -0.99 -2.44 115.11 115.99 2ipa h GLN 97 Ca -0.06 -0.23 -0.00 0.00 0.09 0.00 0.00 58.65 58.44 2ipa h GLN 97 Cb 0.47 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 2ipa h GLN 97 CO 0.10 0.84 0.14 1.49 0.09 0.00 0.00 178.83 181.49 2ipa h GLU 98 N 0.78 0.35 -1.00 0.06 4.81 -0.87 0.96 114.58 119.67 2ipa h GLU 98 Ca 0.15 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.40 2ipa h GLU 98 Cb 0.46 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 2ipa h GLU 98 CO 0.02 0.31 0.65 1.25 -0.73 0.00 0.00 179.01 180.51 2ipa h LEU 99 N 0.29 1.05 0.16 1.64 5.85 -0.72 -1.34 115.31 122.22 2ipa h LEU 99 Ca 0.09 0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.50 2ipa h LEU 99 Cb 0.06 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2ipa h LEU 99 CO -0.01 0.67 -1.61 1.62 -0.34 0.00 0.00 178.44 178.77 2ipa h VAL 100 N 1.19 0.97 -0.24 1.05 3.04 -1.42 -3.34 116.25 117.49 2ipa h VAL 100 Ca 0.43 -2.46 0.07 0.00 -1.01 0.00 0.00 66.70 63.73 2ipa h VAL 100 Cb 0.14 2.74 -0.01 0.00 -2.01 0.00 0.00 31.29 32.16 2ipa h VAL 100 CO -0.17 0.80 0.22 -1.13 -1.01 0.00 0.00 177.57 176.28 2ipa h ASN 101 N -0.07 0.00 -1.00 3.17 -1.24 -0.51 -0.08 115.58 115.85 2ipa h ASN 101 Ca -0.33 0.00 0.27 0.00 0.71 0.00 0.00 56.30 56.95 2ipa h ASN 101 Cb 1.95 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.94 2ipa h ASN 101 CO 0.13 0.00 0.69 0.11 -1.29 0.00 0.00 177.43 177.06 2ipa h LYS 102 N 0.00 0.18 0.00 6.67 1.57 -1.38 -3.27 116.57 120.34 2ipa h LYS 102 Ca 0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2ipa h LYS 102 Cb 0.55 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2ipa h LYS 102 CO -0.00 0.12 0.00 -2.39 -0.57 0.00 0.00 179.45 176.61 2ipa n HIS 103 N -4.39 0.00 0.88 -1.35 1.44 -0.50 -5.15 115.22 106.14 2ipa n HIS 103 Ca 0.22 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.00 2ipa n HIS 103 Cb 0.95 0.00 0.42 0.00 0.12 0.00 0.00 29.99 31.47 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42