#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 -1.93 -0.67 -5.12 0.00 -1.26 -5.04 121.76 107.74 2ipa s ALA 2 Ca 0.00 1.48 -0.15 0.00 0.00 0.00 0.00 51.96 53.29 2ipa s ALA 2 Cb 0.00 -0.46 0.17 0.00 0.00 0.00 0.00 23.12 22.83 2ipa s ALA 2 CO 0.00 -0.41 0.62 0.42 0.00 0.00 0.00 175.76 176.39 2ipa s ILE 3 N -1.63 5.36 0.81 0.00 1.09 -1.26 -2.67 121.20 122.90 2ipa s ILE 3 Ca 0.01 -1.95 -0.12 0.00 -1.10 0.00 0.00 60.65 57.49 2ipa s ILE 3 Cb -0.01 -4.38 0.08 0.00 -1.06 0.00 0.00 42.46 37.09 2ipa s ILE 3 CO -0.02 -0.94 1.12 -0.69 -0.10 0.00 0.00 174.94 174.32 2ipa s VAL 4 N 0.94 2.66 -0.15 2.92 1.01 -0.09 -4.90 120.40 122.78 2ipa s VAL 4 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2ipa s VAL 4 Cb -0.21 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.14 2ipa s VAL 4 CO -0.02 -0.28 -0.09 -0.75 0.00 0.00 0.00 175.10 173.95 2ipa s LYS 5 N -5.32 1.83 0.96 2.72 2.20 -1.26 -0.48 119.74 120.39 2ipa s LYS 5 Ca 0.61 -0.52 -0.16 0.00 -0.36 0.00 0.00 55.97 55.55 2ipa s LYS 5 Cb -0.13 -2.00 0.19 0.00 -1.51 0.00 0.00 37.83 34.38 2ipa s LYS 5 CO 0.52 -0.33 1.28 0.00 -0.36 0.00 0.00 175.35 176.47 2ipa s ALA 6 N 1.57 2.14 0.12 3.13 0.00 0.46 -4.90 121.76 124.28 2ipa s ALA 6 Ca 0.03 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 2ipa s ALA 6 Cb -0.14 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.18 2ipa s ALA 6 CO -0.09 -2.44 0.21 -2.37 0.00 0.00 0.00 175.76 171.08 2ipa n THR 7 N -3.79 0.00 -0.55 0.00 5.66 -1.26 -4.75 114.28 109.58 2ipa n THR 7 Ca 0.14 -0.45 0.44 0.00 -3.05 0.00 0.00 64.05 61.14 2ipa n THR 7 Cb 0.60 0.34 0.72 0.00 -1.55 0.00 0.00 70.33 70.44 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 -1.54 0.13 0.00 1.09 2.03 -1.26 -1.32 116.55 115.69 2ipa n ASP 8 Ca -0.01 1.23 0.00 0.00 0.52 0.00 0.00 54.79 56.52 2ipa n ASP 8 Cb 0.19 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 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 -4.40 3.54 -0.29 -0.67 6.02 -1.26 -4.66 117.38 115.65 2ipa n GLN 9 Ca 0.41 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.44 2ipa n GLN 9 Cb 1.71 -0.66 0.24 0.00 1.02 0.00 0.00 30.24 32.55 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 0.89 -2.88 1.08 0.02 -1.87 -3.24 113.55 107.56 2ipa h SER 10 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.41 2ipa h SER 10 Cb 0.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2ipa h SER 10 CO 0.00 0.58 0.87 0.12 -1.14 0.00 0.00 176.83 177.26 2ipa s PHE 11 N -5.89 2.76 0.00 3.45 2.19 -0.43 -0.58 117.98 119.47 2ipa s PHE 11 Ca -0.11 0.78 0.00 0.00 0.33 0.00 0.00 56.93 57.93 2ipa s PHE 11 Cb 0.20 -3.66 0.00 0.00 -1.31 0.00 0.00 43.02 38.24 2ipa s PHE 11 CO 0.80 -2.47 0.00 0.43 1.83 0.00 0.00 175.22 175.80 2ipa n SER 12 N 5.74 0.00 -0.26 6.13 7.64 -1.26 -4.86 113.62 126.75 2ipa n SER 12 Ca 0.14 0.00 -0.06 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 0.94 0.00 -0.43 0.00 -1.31 -0.37 119.26 118.09 2ipa h ALA 13 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 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 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.20 2ipa n GLU 14 N -4.35 0.12 0.00 0.00 -0.58 0.25 -4.05 120.64 112.03 2ipa n GLU 14 Ca 0.06 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2ipa n GLU 14 Cb 0.18 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 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 -1.44 0.00 0.59 2.62 -2.24 -0.64 -4.78 114.28 108.39 2ipa n THR 15 Ca 0.09 -0.39 0.09 0.00 -2.27 0.00 0.00 64.05 61.57 2ipa n THR 15 Cb 0.31 1.17 0.39 0.00 -2.10 0.00 0.00 70.33 70.09 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 -0.16 0.09 -3.99 3.42 7.64 -0.24 -3.12 113.62 117.25 2ipa n SER 16 Ca 0.00 0.52 -0.08 0.00 1.01 0.00 0.00 58.87 60.31 2ipa n SER 16 Cb 0.04 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.60 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 -3.04 0.55 2.79 1.43 2.02 -1.26 -2.82 118.70 118.36 2ipa s GLU 17 Ca 0.08 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2ipa s GLU 17 Cb 0.11 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.55 2ipa s GLU 17 CO 0.34 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.91 2ipa n GLY 18 N 0.69 0.07 3.27 -1.39 0.00 -1.26 -4.66 105.19 101.91 2ipa n GLY 18 Ca -0.18 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 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 2.77 -0.14 1.61 1.01 -1.26 -0.80 120.40 123.59 2ipa s VAL 19 Ca 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2ipa s VAL 19 Cb 0.00 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.23 2ipa s VAL 19 CO 0.00 0.50 -0.02 -0.69 0.00 0.00 0.00 175.10 174.89 2ipa s VAL 20 N 0.95 0.78 -0.86 2.92 1.01 0.07 -2.84 120.40 122.41 2ipa s VAL 20 Ca -0.02 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 2ipa s VAL 20 Cb -0.15 -1.01 0.10 0.00 0.00 0.00 0.00 36.38 35.32 2ipa s VAL 20 CO -0.02 0.11 1.13 -0.22 0.00 0.00 0.00 175.10 176.10 2ipa s LEU 21 N 1.78 4.63 0.37 3.92 2.96 -0.06 -0.68 118.68 131.61 2ipa s LEU 21 Ca 0.02 -1.65 -0.22 0.00 -0.22 0.00 0.00 54.13 52.06 2ipa s LEU 21 Cb -0.15 -2.43 -0.10 0.00 0.50 0.00 0.00 46.19 44.01 2ipa s LEU 21 CO -0.07 -1.24 0.91 0.00 -1.32 0.00 0.00 176.35 174.63 2ipa s ALA 22 N 3.42 3.15 0.01 5.97 0.00 -0.11 -2.43 121.76 131.77 2ipa s ALA 22 Ca 0.32 0.37 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 2ipa s ALA 22 Cb -0.07 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 2ipa s ALA 22 CO -0.04 0.18 0.07 0.34 0.00 0.00 0.00 175.76 176.31 2ipa s ASP 23 N -2.00 0.12 -0.20 0.00 2.15 -0.52 -1.11 116.67 115.11 2ipa s ASP 23 Ca 0.56 -0.33 -0.02 0.00 0.43 0.00 0.00 52.55 53.19 2ipa s ASP 23 Cb -0.12 0.16 0.06 0.00 -0.30 0.00 0.00 42.92 42.71 2ipa s ASP 23 CO 0.17 -0.34 0.01 -0.36 -0.17 0.00 0.00 175.17 174.48 2ipa s PHE 24 N -1.42 1.36 0.09 -5.34 0.40 0.49 -0.37 117.98 113.19 2ipa s PHE 24 Ca -0.15 -1.04 0.05 0.00 -0.60 0.00 0.00 56.93 55.19 2ipa s PHE 24 Cb -0.09 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 2ipa s PHE 24 CO 0.01 -0.63 -0.13 1.67 0.70 0.00 0.00 175.22 176.83 2ipa s TRP 25 N 1.75 1.21 -0.00 0.36 1.48 -0.68 -2.54 118.94 120.51 2ipa s TRP 25 Ca -0.02 -0.54 -0.29 0.00 -1.06 0.00 0.00 56.10 54.19 2ipa s TRP 25 Cb -0.17 -0.66 0.10 0.00 -1.16 0.00 0.00 33.47 31.58 2ipa s TRP 25 CO -0.07 0.06 0.97 0.00 -4.06 0.00 0.00 176.95 173.85 2ipa s ALA 26 N -1.83 -1.85 -0.03 2.67 0.00 -1.26 -0.84 121.76 118.61 2ipa s ALA 26 Ca 0.03 0.91 0.15 0.00 0.00 0.00 0.00 51.96 53.06 2ipa s ALA 26 Cb -0.07 0.38 0.83 0.00 0.00 0.00 0.00 23.12 24.26 2ipa s ALA 26 CO 0.02 -0.76 1.39 -2.30 0.00 0.00 0.00 175.76 174.11 2ipa n PRO 27 N -0.28 0.10 0.27 0.00 -0.02 -1.26 -3.07 135.00 130.74 2ipa n PRO 27 Ca -0.07 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.11 2ipa n PRO 27 Cb 0.61 -2.06 0.73 0.00 -0.02 0.00 0.00 33.50 32.75 2ipa n PRO 27 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2ipa h TRP 28 N 0.00 0.00 -4.09 6.00 4.06 -1.95 -3.45 115.95 116.51 2ipa h TRP 28 Ca 0.00 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.80 2ipa h TRP 28 Cb 0.46 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 28.43 2ipa h TRP 28 CO 0.00 0.06 -0.69 0.00 -3.56 0.00 0.00 178.44 174.24 2ipa h GLY 30 N 3.89 0.12 0.97 0.00 0.00 -1.89 -3.10 103.07 103.07 2ipa h GLY 30 Ca -0.33 -0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.03 2ipa h GLY 30 CO 0.53 0.06 0.42 -2.55 0.00 0.00 0.00 176.54 175.00 2ipa h PRO 31 N 0.03 0.00 -0.01 4.80 0.11 -1.95 -0.02 132.00 134.96 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 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 2ipa h PRO 31 CO -0.00 0.00 0.04 0.77 -0.21 0.00 0.00 178.00 178.60 2ipa h SER 32 N 0.00 0.00 -0.45 -2.05 0.02 -1.80 0.29 113.55 109.55 2ipa h SER 32 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2ipa h SER 32 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 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 -3.24 2.53 -0.01 3.45 4.01 -0.02 -3.82 118.16 121.06 2ipa n LYS 33 Ca -0.03 -2.22 -0.02 0.00 -0.51 0.00 0.00 58.31 55.54 2ipa n LYS 33 Cb 0.12 -1.41 -0.01 0.00 -0.51 0.00 0.00 35.03 33.22 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 1.11 0.04 -0.02 1.97 2.81 -0.05 -4.47 117.12 118.52 2ipa n MET 34 Ca 0.17 0.01 0.01 0.00 -1.81 0.00 0.00 57.70 56.09 2ipa n MET 34 Cb 0.52 -0.81 0.34 0.00 -0.71 0.00 0.00 33.22 32.56 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 -0.03 1.16 0.42 2.02 6.09 -0.78 -2.52 117.51 123.87 2ipa h ILE 35 Ca -0.05 -0.52 -0.01 0.00 -1.37 0.00 0.00 64.86 62.91 2ipa h ILE 35 Cb 1.05 0.70 -0.02 0.00 0.47 0.00 0.00 36.82 39.02 2ipa h ILE 35 CO -0.02 0.20 -0.44 0.00 -3.07 0.00 0.00 178.15 174.82 2ipa h ALA 36 N 1.59 -1.09 -1.00 0.18 0.00 -1.72 0.29 119.26 117.51 2ipa h ALA 36 Ca 0.14 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ipa h ALA 36 Cb 0.14 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2ipa h ALA 36 CO -0.01 -1.12 0.66 -1.00 0.00 0.00 0.00 179.25 177.77 2ipa h PRO 37 N -0.86 1.32 -0.64 0.00 0.13 -1.77 -2.55 132.00 127.63 2ipa h PRO 37 Ca -0.05 -0.08 0.08 0.00 -0.87 0.00 0.00 66.00 65.07 2ipa h PRO 37 Cb 0.75 -0.30 -0.06 0.00 0.13 0.00 0.00 31.00 31.52 2ipa h PRO 37 CO -0.06 0.87 0.30 0.28 -0.23 0.00 0.00 178.00 179.17 2ipa h VAL 38 N 1.35 0.87 -0.38 1.56 2.07 -1.17 -0.02 116.25 120.53 2ipa h VAL 38 Ca 0.36 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 2ipa h VAL 38 Cb -0.15 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 2ipa h VAL 38 CO -0.08 0.10 0.10 -0.07 0.02 0.00 0.00 177.57 177.64 2ipa h LEU 39 N 0.54 0.57 -0.81 2.57 3.38 -0.54 -1.01 115.31 120.02 2ipa h LEU 39 Ca 0.31 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2ipa h LEU 39 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2ipa h LEU 39 CO -0.24 0.65 -0.19 -0.33 0.09 0.00 0.00 178.44 178.41 2ipa h GLU 40 N 0.47 0.69 -0.13 1.13 5.08 -1.13 0.54 114.58 121.23 2ipa h GLU 40 Ca 0.12 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 2ipa h GLU 40 Cb 0.29 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2ipa h GLU 40 CO -0.00 0.83 -0.36 0.93 -1.00 0.00 0.00 179.01 179.42 2ipa h GLU 41 N 0.61 0.27 -0.09 2.33 4.39 -0.84 -1.94 114.58 119.32 2ipa h GLU 41 Ca 0.09 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 2ipa h GLU 41 Cb 0.66 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2ipa h GLU 41 CO 0.05 0.60 -0.30 1.25 -1.16 0.00 0.00 179.01 179.44 2ipa h LEU 42 N 0.23 0.42 -0.54 1.33 5.85 -0.80 -3.29 115.31 118.51 2ipa h LEU 42 Ca 0.03 -0.62 -0.16 0.00 0.84 0.00 0.00 57.88 57.97 2ipa h LEU 42 Cb 0.74 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2ipa h LEU 42 CO 0.06 0.97 -0.51 -0.78 -0.34 0.00 0.00 178.44 177.83 2ipa h ASP 43 N -0.11 0.63 0.30 1.25 3.58 -0.80 -0.71 116.42 120.56 2ipa h ASP 43 Ca -0.01 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2ipa h ASP 43 Cb 0.94 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2ipa h ASP 43 CO 0.06 1.03 0.00 0.00 -2.88 0.00 0.00 179.24 177.46 2ipa n GLN 44 N -3.98 0.15 -0.10 0.28 10.64 -0.74 -0.25 117.38 123.38 2ipa n GLN 44 Ca -0.03 0.18 -0.20 0.00 -1.83 0.00 0.00 57.00 55.12 2ipa n GLN 44 Cb 0.58 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.38 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 -1.33 0.46 -0.31 2.61 2.13 -0.59 -4.83 120.64 118.77 2ipa n GLU 45 Ca 0.06 0.17 0.02 0.00 0.66 0.00 0.00 57.16 58.07 2ipa n GLU 45 Cb 0.12 -1.29 0.03 0.00 0.27 0.00 0.00 31.44 30.57 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 -3.69 0.43 0.00 5.31 0.00 -0.37 -4.74 117.12 114.05 2ipa n MET 46 Ca -0.40 -1.31 0.03 0.00 0.00 0.00 0.00 57.70 56.03 2ipa n MET 46 Cb 0.82 -0.75 0.17 0.00 0.00 0.00 0.00 33.22 33.46 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 -0.34 -0.57 0.28 3.17 0.00 0.65 -1.30 105.19 107.08 2ipa n GLY 47 Ca 0.04 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 0.30 116.42 120.06 2ipa h ASP 48 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2ipa h ASP 48 Cb 0.08 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2ipa h ASP 48 CO 0.00 0.07 -1.22 0.29 -2.88 0.00 0.00 179.24 175.50 2ipa n LYS 49 N -3.56 1.62 -4.18 0.28 4.01 -0.42 -4.90 118.16 111.02 2ipa n LYS 49 Ca -0.02 -0.02 -0.28 0.00 -0.51 0.00 0.00 58.31 57.48 2ipa n LYS 49 Cb 0.19 -1.10 -0.08 0.00 -0.51 0.00 0.00 35.03 33.53 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 -3.74 3.34 0.08 -0.35 2.96 -0.77 -4.71 118.68 115.49 2ipa s LEU 50 Ca -0.02 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 2ipa s LEU 50 Cb 0.02 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2ipa s LEU 50 CO 0.16 0.13 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.38 2ipa s LYS 51 N -2.59 1.15 0.03 1.98 2.20 -1.13 -3.03 119.74 118.34 2ipa s LYS 51 Ca 0.26 -1.07 0.06 0.00 -0.36 0.00 0.00 55.97 54.86 2ipa s LYS 51 Cb -0.10 -1.34 -0.02 0.00 -1.51 0.00 0.00 37.83 34.85 2ipa s LYS 51 CO 0.18 0.32 -0.16 0.42 -0.36 0.00 0.00 175.35 175.74 2ipa s ILE 52 N -1.06 1.30 -0.16 5.43 1.01 -1.09 -0.88 121.20 125.75 2ipa s ILE 52 Ca 0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 2ipa s ILE 52 Cb -0.10 -1.14 0.06 0.00 0.01 0.00 0.00 42.46 41.29 2ipa s ILE 52 CO 0.03 0.15 0.07 -0.69 0.00 0.00 0.00 174.94 174.50 2ipa s VAL 53 N -0.71 0.10 0.52 2.92 1.01 -1.02 -0.91 120.40 122.32 2ipa s VAL 53 Ca 0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 2ipa s VAL 53 Cb -0.08 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2ipa s VAL 53 CO 0.01 -0.20 0.87 -0.54 0.00 0.00 0.00 175.10 175.24 2ipa s LYS 54 N 2.05 3.59 -0.11 2.72 1.02 0.36 -1.44 119.74 127.94 2ipa s LYS 54 Ca 0.02 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.44 2ipa s LYS 54 Cb -0.16 -2.27 0.02 0.00 -0.52 0.00 0.00 37.83 34.90 2ipa s LYS 54 CO -0.08 -0.32 -0.10 0.42 -0.92 0.00 0.00 175.35 174.35 2ipa s ILE 55 N -2.85 1.17 -0.52 2.17 -1.09 0.50 -0.40 121.20 120.18 2ipa s ILE 55 Ca 0.51 -0.41 -0.28 0.00 -2.23 0.00 0.00 60.65 58.23 2ipa s ILE 55 Cb -0.11 -1.14 0.02 0.00 -1.58 0.00 0.00 42.46 39.66 2ipa s ILE 55 CO 0.46 0.39 1.29 -0.62 -1.23 0.00 0.00 174.94 175.23 2ipa s ASP 56 N 1.38 6.36 0.00 3.58 -1.08 -1.26 -1.69 116.67 123.96 2ipa s ASP 56 Ca -0.00 0.37 -0.05 0.00 -0.52 0.00 0.00 52.55 52.35 2ipa s ASP 56 Cb -0.13 -2.55 -0.21 0.00 -1.46 0.00 0.00 42.92 38.56 2ipa s ASP 56 CO -0.05 -1.50 3.21 1.33 0.52 0.00 0.00 175.17 178.68 2ipa n VAL 57 N 6.85 2.70 0.00 1.11 0.24 -0.02 -0.55 118.33 128.66 2ipa n VAL 57 Ca 0.12 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 2ipa n VAL 57 Cb 0.49 -1.89 0.00 0.00 -1.47 0.00 0.00 33.84 30.97 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 2.34 0.00 0.11 -1.34 2.03 -1.26 -4.76 116.55 113.67 2ipa n ASP 58 Ca 0.34 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.46 2ipa n ASP 58 Cb 0.81 0.19 -0.15 0.00 -0.72 0.00 0.00 41.12 41.25 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 0.35 0.00 -0.67 4.81 -1.94 -3.39 114.58 113.74 2ipa h GLU 59 Ca 0.00 -0.59 -0.11 0.00 -0.13 0.00 0.00 59.36 58.53 2ipa h GLU 59 Cb 0.00 0.22 -0.24 0.00 0.63 0.00 0.00 28.75 29.36 2ipa h GLU 59 CO 0.00 1.28 -0.82 0.09 -0.73 0.00 0.00 179.01 178.83 2ipa n ASN 60 N -3.58 1.21 0.00 1.04 3.02 0.29 -4.89 115.26 112.35 2ipa n ASN 60 Ca -0.11 -2.63 0.09 0.00 -0.03 0.00 0.00 54.58 51.90 2ipa n ASN 60 Cb 1.05 -0.37 0.47 0.00 -0.61 0.00 0.00 39.78 40.32 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 -0.09 0.25 -0.14 3.52 10.64 -1.00 -3.74 117.38 126.83 2ipa n GLN 61 Ca 0.10 0.11 -0.03 0.00 -1.83 0.00 0.00 57.00 55.35 2ipa n GLN 61 Cb 0.97 -1.50 0.05 0.00 -0.86 0.00 0.00 30.24 28.90 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 0.22 -0.94 2.61 4.39 -1.90 -0.38 114.58 118.59 2ipa h GLU 62 Ca 0.00 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.77 2ipa h GLU 62 Cb 0.19 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 2ipa h GLU 62 CO 0.00 0.15 0.58 1.15 -1.16 0.00 0.00 179.01 179.73 2ipa h THR 63 N 0.23 1.00 0.34 1.13 2.02 -1.83 0.13 112.91 115.93 2ipa h THR 63 Ca 0.23 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2ipa h THR 63 Cb 0.29 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 2ipa h THR 63 CO -0.30 0.18 -0.16 0.00 0.37 0.00 0.00 175.52 175.61 2ipa h ALA 64 N 1.47 -0.46 -0.88 6.16 0.00 -1.38 -0.74 119.26 123.43 2ipa h ALA 64 Ca 0.43 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.35 2ipa h ALA 64 Cb 0.29 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 2ipa h ALA 64 CO -0.21 -0.49 0.43 0.78 0.00 0.00 0.00 179.25 179.76 2ipa h GLY 65 N -1.00 1.47 0.98 0.00 0.00 -1.15 0.70 103.07 104.08 2ipa h GLY 65 Ca -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2ipa h GLY 65 CO 0.08 -0.14 0.24 1.70 0.00 0.00 0.00 176.54 178.42 2ipa h LYS 66 N 0.53 0.81 -0.05 4.80 3.64 -0.82 -2.42 116.57 123.05 2ipa h LYS 66 Ca 0.51 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.63 2ipa h LYS 66 Cb 0.86 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2ipa h LYS 66 CO -0.44 0.68 -0.57 -0.92 -2.27 0.00 0.00 179.45 175.93 2ipa h TYR 67 N 0.74 0.18 -1.33 1.91 5.03 -0.57 -3.48 116.97 119.45 2ipa h TYR 67 Ca 0.19 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.43 2ipa h TYR 67 Cb 0.16 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.41 2ipa h TYR 67 CO 0.00 0.68 0.00 0.41 -1.32 0.00 0.00 178.16 177.93 2ipa n GLY 68 N 0.16 0.40 0.31 1.82 0.00 0.08 -5.09 105.19 102.88 2ipa n GLY 68 Ca -0.02 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.47 0.44 -0.79 1.61 0.31 -0.30 -4.99 118.33 114.13 2ipa n VAL 69 Ca 0.00 0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 2ipa n VAL 69 Cb 0.22 -1.59 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 -3.01 -1.43 -3.97 5.55 2.81 -1.26 -4.91 117.12 110.89 2ipa n MET 70 Ca -0.03 0.33 -0.08 0.00 -1.81 0.00 0.00 57.70 56.11 2ipa n MET 70 Cb 0.11 -4.64 -0.08 0.00 -0.71 0.00 0.00 33.22 27.90 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 -1.85 0.26 -0.02 7.83 1.04 -1.26 -5.13 113.70 114.57 2ipa s SER 71 Ca 0.00 -0.84 0.03 0.00 0.48 0.00 0.00 55.95 55.62 2ipa s SER 71 Cb 0.00 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 2ipa s SER 71 CO 0.00 -0.70 -0.11 -0.63 0.98 0.00 0.00 173.24 172.78 2ipa s ILE 72 N -3.91 0.87 0.15 -1.02 -1.09 -1.26 -3.57 121.20 111.37 2ipa s ILE 72 Ca 0.09 -0.45 -0.26 0.00 -2.23 0.00 0.00 60.65 57.79 2ipa s ILE 72 Cb 0.06 -0.74 -0.07 0.00 -1.58 0.00 0.00 42.46 40.12 2ipa s ILE 72 CO -0.08 0.25 0.82 -2.16 -1.23 0.00 0.00 174.94 172.54 2ipa s PRO 73 N -0.11 4.61 0.09 2.79 0.04 -1.26 -4.71 135.00 136.45 2ipa s PRO 73 Ca 0.02 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.32 2ipa s PRO 73 Cb -0.06 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2ipa s PRO 73 CO -0.00 0.47 0.03 0.99 0.04 0.00 0.00 177.00 178.53 2ipa s THR 74 N -0.83 4.17 -0.05 1.26 2.01 -1.05 -1.12 115.64 120.02 2ipa s THR 74 Ca 0.38 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 2ipa s THR 74 Cb -0.23 -3.00 0.04 0.00 0.01 0.00 0.00 72.50 69.31 2ipa s THR 74 CO 0.27 0.10 0.09 -0.22 -0.69 0.00 0.00 174.62 174.17 2ipa s LEU 75 N -2.40 0.34 -0.29 4.42 2.96 0.02 -0.38 118.68 123.35 2ipa s LEU 75 Ca 0.27 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.38 2ipa s LEU 75 Cb -0.12 0.05 0.08 0.00 0.50 0.00 0.00 46.19 46.70 2ipa s LEU 75 CO 0.20 -0.21 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.23 2ipa s LEU 76 N 1.86 3.84 -0.51 -0.68 1.43 -0.27 -1.18 118.68 123.18 2ipa s LEU 76 Ca -0.00 -1.70 -0.27 0.00 -1.03 0.00 0.00 54.13 51.12 2ipa s LEU 76 Cb -0.12 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.62 2ipa s LEU 76 CO -0.04 -0.29 1.06 -0.69 0.23 0.00 0.00 176.35 176.63 2ipa s VAL 77 N 1.07 4.26 0.05 -1.59 1.01 0.31 -0.93 120.40 124.59 2ipa s VAL 77 Ca 0.01 0.89 -0.00 0.00 0.00 0.00 0.00 61.98 62.87 2ipa s VAL 77 Cb -0.19 -4.58 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 2ipa s VAL 77 CO -0.07 -1.05 0.20 -0.76 0.00 0.00 0.00 175.10 173.41 2ipa s LEU 78 N 4.31 4.33 -0.10 3.92 1.02 0.14 -0.68 118.68 131.61 2ipa s LEU 78 Ca 0.41 0.26 -0.05 0.00 0.02 0.00 0.00 54.13 54.77 2ipa s LEU 78 Cb -0.09 -2.89 0.05 0.00 0.02 0.00 0.00 46.19 43.28 2ipa s LEU 78 CO 0.27 0.18 0.25 -0.75 0.02 0.00 0.00 176.35 176.32 2ipa s LYS 79 N -2.43 0.21 -0.47 1.70 2.20 0.31 -0.75 119.74 120.51 2ipa s LYS 79 Ca 0.34 0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 56.45 2ipa s LYS 79 Cb -0.13 -0.11 0.01 0.00 -1.51 0.00 0.00 37.83 36.09 2ipa s LYS 79 CO 0.26 -0.16 0.05 -3.47 -0.36 0.00 0.00 175.35 171.68 2ipa n ASP 80 N 4.18 -2.04 0.00 1.43 2.03 0.02 -1.91 116.55 120.25 2ipa n ASP 80 Ca -0.25 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2ipa n ASP 80 Cb 0.53 -1.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.11 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 0.90 3.13 0.27 0.00 -1.13 -4.71 105.19 103.00 2ipa n GLY 81 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.90 0.72 0.15 1.61 -1.05 -0.81 -4.88 118.70 113.55 2ipa s GLU 82 Ca 0.00 -0.95 -0.30 0.00 -0.15 0.00 0.00 54.97 53.57 2ipa s GLU 82 Cb 0.00 -0.54 -0.08 0.00 -0.44 0.00 0.00 34.13 33.07 2ipa s GLU 82 CO 0.00 0.10 1.28 0.08 0.95 0.00 0.00 175.26 177.68 2ipa s VAL 83 N -1.67 3.45 -0.00 1.83 1.01 -1.26 -0.53 120.40 123.23 2ipa s VAL 83 Ca -0.03 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.09 2ipa s VAL 83 Cb -0.08 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2ipa s VAL 83 CO 0.01 0.14 0.01 1.33 0.00 0.00 0.00 175.10 176.59 2ipa n VAL 84 N 3.15 0.01 -3.88 2.92 0.24 0.14 -4.90 118.33 116.00 2ipa n VAL 84 Ca 0.07 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.34 62.27 2ipa n VAL 84 Cb 0.44 0.04 -0.07 0.00 -1.47 0.00 0.00 33.84 32.78 2ipa n VAL 84 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ipa s GLU 85 N -2.03 0.86 -0.02 7.34 0.41 -1.06 -5.03 118.70 119.17 2ipa s GLU 85 Ca -0.00 -1.00 -0.12 0.00 -0.41 0.00 0.00 54.97 53.44 2ipa s GLU 85 Cb 0.00 0.34 0.02 0.00 -1.78 0.00 0.00 34.13 32.71 2ipa s GLU 85 CO 0.03 -0.27 0.26 0.99 -0.49 0.00 0.00 175.26 175.78 2ipa s THR 86 N -3.88 0.06 -0.03 3.63 2.01 -1.26 -0.53 115.64 115.64 2ipa s THR 86 Ca 0.06 -0.46 -0.19 0.00 0.31 0.00 0.00 61.69 61.42 2ipa s THR 86 Cb 0.05 -0.54 0.03 0.00 0.01 0.00 0.00 72.50 72.05 2ipa s THR 86 CO -0.10 -0.25 0.40 -0.44 -0.69 0.00 0.00 174.62 173.54 2ipa s SER 87 N -1.13 -0.31 -0.44 3.53 0.01 -0.33 -5.00 113.70 110.03 2ipa s SER 87 Ca -0.12 0.27 0.09 0.00 1.31 0.00 0.00 55.95 57.50 2ipa s SER 87 Cb -0.05 0.39 0.32 0.00 0.21 0.00 0.00 66.02 66.89 2ipa s SER 87 CO 0.03 -0.47 0.74 0.52 0.41 0.00 0.00 173.24 174.47 2ipa n VAL 88 N 1.26 0.69 0.00 3.43 0.31 -1.26 -0.80 118.33 121.96 2ipa n VAL 88 Ca -0.21 -4.76 0.00 0.00 -0.01 0.00 0.00 64.34 59.36 2ipa n VAL 88 Cb 0.56 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 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 0.42 1.98 3.64 2.92 0.00 -0.28 -4.82 105.19 109.05 2ipa n GLY 89 Ca 0.26 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 1.70 -0.22 1.61 5.36 -1.26 -4.79 117.98 118.38 2ipa s PHE 90 Ca 0.00 1.56 -0.20 0.00 -0.96 0.00 0.00 56.93 57.34 2ipa s PHE 90 Cb 0.00 -3.24 0.06 0.00 -0.34 0.00 0.00 43.02 39.50 2ipa s PHE 90 CO 0.00 -2.97 0.59 0.15 -1.46 0.00 0.00 175.22 171.53 2ipa s LYS 91 N -4.65 0.68 1.05 10.12 1.02 -1.26 -5.08 119.74 121.62 2ipa s LYS 91 Ca 0.66 0.83 -0.14 0.00 0.02 0.00 0.00 55.97 57.35 2ipa s LYS 91 Cb -0.22 0.32 0.22 0.00 -0.52 0.00 0.00 37.83 37.62 2ipa s LYS 91 CO 0.59 -0.09 1.09 -1.25 -0.92 0.00 0.00 175.35 174.78 2ipa s PRO 92 N 0.40 -0.02 0.20 -1.68 0.04 -1.26 -4.61 135.00 128.06 2ipa s PRO 92 Ca -0.01 0.40 -0.20 0.00 0.04 0.00 0.00 61.00 61.23 2ipa s PRO 92 Cb -0.04 -1.70 0.15 0.00 0.04 0.00 0.00 34.50 32.95 2ipa s PRO 92 CO -0.00 -3.01 1.45 1.17 0.04 0.00 0.00 177.00 176.64 2ipa n LYS 93 N -4.35 -0.27 -0.04 4.56 3.00 -1.26 -0.74 118.16 119.07 2ipa n LYS 93 Ca 0.06 1.43 -0.16 0.00 -0.00 0.00 0.00 58.31 59.64 2ipa n LYS 93 Cb 0.58 -2.12 -0.07 0.00 0.00 0.00 0.00 35.03 33.41 2ipa n LYS 93 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2ipa h GLU 94 N 0.00 0.63 -0.29 1.64 5.08 -1.96 -1.84 114.58 117.84 2ipa h GLU 94 Ca 0.28 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 2ipa h GLU 94 Cb 0.51 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2ipa h GLU 94 CO -0.91 1.10 -0.15 0.00 -1.00 0.00 0.00 179.01 178.05 2ipa h ALA 95 N 0.53 1.19 -0.08 3.43 0.00 -1.72 0.59 119.26 123.20 2ipa h ALA 95 Ca -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2ipa h ALA 95 Cb 1.18 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2ipa h ALA 95 CO 0.12 0.52 -0.13 1.25 0.00 0.00 0.00 179.25 181.01 2ipa h LEU 96 N 0.47 0.25 -1.18 0.00 5.85 -0.87 -0.20 115.31 119.63 2ipa h LEU 96 Ca 0.08 -0.54 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 2ipa h LEU 96 Cb 0.54 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2ipa h LEU 96 CO 0.03 0.74 0.11 0.06 -0.34 0.00 0.00 178.44 179.04 2ipa h GLN 97 N -0.23 0.69 -0.18 1.25 3.07 -1.22 -2.56 115.11 115.92 2ipa h GLN 97 Ca 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 58.65 58.60 2ipa h GLN 97 Cb 0.68 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 2ipa h GLN 97 CO 0.03 0.63 0.05 1.49 0.09 0.00 0.00 178.83 181.11 2ipa h GLU 98 N 0.67 0.29 -0.88 0.06 4.81 -0.77 0.06 114.58 118.80 2ipa h GLU 98 Ca 0.15 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 2ipa h GLU 98 Cb 0.25 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 2ipa h GLU 98 CO -0.00 0.41 0.57 1.25 -0.73 0.00 0.00 179.01 180.51 2ipa h LEU 99 N 0.11 0.83 0.21 1.64 5.85 -0.64 -1.24 115.31 122.08 2ipa h LEU 99 Ca 0.06 0.01 -0.33 0.00 0.84 0.00 0.00 57.88 58.46 2ipa h LEU 99 Cb 0.25 -0.16 0.02 0.00 0.37 0.00 0.00 40.66 41.14 2ipa h LEU 99 CO -0.00 0.51 -1.49 1.62 -0.34 0.00 0.00 178.44 178.74 2ipa h VAL 100 N 0.94 1.25 -0.04 1.05 3.04 -1.42 -3.33 116.25 117.73 2ipa h VAL 100 Ca 0.39 -2.74 0.01 0.00 -1.01 0.00 0.00 66.70 63.35 2ipa h VAL 100 Cb 0.31 2.95 -0.00 0.00 -2.01 0.00 0.00 31.29 32.54 2ipa h VAL 100 CO -0.16 0.83 0.05 -1.13 -1.01 0.00 0.00 177.57 176.16 2ipa h ASN 101 N 0.12 0.00 -0.30 3.17 -1.24 -0.01 0.48 115.58 117.80 2ipa h ASN 101 Ca -0.25 0.00 0.09 0.00 0.71 0.00 0.00 56.30 56.85 2ipa h ASN 101 Cb 2.11 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 41.15 2ipa h ASN 101 CO 0.24 0.00 0.31 0.11 -1.29 0.00 0.00 177.43 176.80 2ipa h LYS 102 N 0.00 0.00 0.00 6.67 1.57 -1.38 -3.27 116.57 120.16 2ipa h LYS 102 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2ipa h LYS 102 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2ipa h LYS 102 CO -0.00 0.00 -0.79 0.72 -0.57 0.00 0.00 179.45 178.81 2ipa n HIS 103 N -3.82 0.00 0.99 -1.35 8.25 -0.06 -5.15 115.22 114.07 2ipa n HIS 103 Ca 0.04 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.58 2ipa n HIS 103 Cb 0.46 0.00 0.47 0.00 1.12 0.00 0.00 29.99 32.04 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87