#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 -2.86 -2.57 -5.12 0.00 -1.26 -4.82 120.51 103.88 2ipa n ALA 2 Ca 0.00 0.71 -0.42 0.00 0.00 0.00 0.00 53.44 53.73 2ipa n ALA 2 Cb 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.02 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 -4.48 4.74 0.63 0.00 1.09 -1.26 -3.99 121.20 117.93 2ipa s ILE 3 Ca 0.00 0.65 -0.04 0.00 -1.10 0.00 0.00 60.65 60.16 2ipa s ILE 3 Cb 0.00 -4.22 0.04 0.00 -1.06 0.00 0.00 42.46 37.22 2ipa s ILE 3 CO 0.00 -0.50 0.92 -0.69 -0.10 0.00 0.00 174.94 174.57 2ipa s VAL 4 N 3.07 2.73 -0.17 2.92 1.01 0.09 -4.92 120.40 125.13 2ipa s VAL 4 Ca 0.29 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2ipa s VAL 4 Cb -0.13 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.16 2ipa s VAL 4 CO 0.18 -0.11 -0.13 -0.75 0.00 0.00 0.00 175.10 174.30 2ipa s LYS 5 N -5.05 2.20 0.74 2.72 2.47 -1.26 -0.63 119.74 120.93 2ipa s LYS 5 Ca 0.58 -0.69 -0.08 0.00 -1.56 0.00 0.00 55.97 54.22 2ipa s LYS 5 Cb -0.11 -2.25 0.08 0.00 -1.46 0.00 0.00 37.83 34.10 2ipa s LYS 5 CO 0.43 -0.32 1.06 0.00 0.16 0.00 0.00 175.35 176.68 2ipa s ALA 6 N 1.44 3.06 0.32 3.13 0.00 -0.02 -4.93 121.76 124.77 2ipa s ALA 6 Ca 0.02 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 2ipa s ALA 6 Cb -0.14 -2.60 0.03 0.00 0.00 0.00 0.00 23.12 20.41 2ipa s ALA 6 CO -0.10 -1.46 0.57 -2.37 0.00 0.00 0.00 175.76 172.40 2ipa n THR 7 N -3.04 0.00 -0.48 0.00 5.66 -1.26 -4.74 114.28 110.43 2ipa n THR 7 Ca 0.09 -1.07 0.39 0.00 -3.05 0.00 0.00 64.05 60.40 2ipa n THR 7 Cb 0.60 0.86 0.63 0.00 -1.55 0.00 0.00 70.33 70.87 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 0.12 0.00 1.09 2.03 -1.26 -1.59 116.55 115.40 2ipa n ASP 8 Ca -0.04 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.34 2ipa n ASP 8 Cb 0.49 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 -4.14 0.65 0.31 -0.67 6.02 -1.26 -4.58 117.38 113.71 2ipa n GLN 9 Ca 0.36 0.00 0.21 0.00 -0.01 0.00 0.00 57.00 57.56 2ipa n GLN 9 Cb 1.48 -0.60 1.10 0.00 1.02 0.00 0.00 30.24 33.25 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 -0.64 1.08 0.02 -1.92 -1.61 113.55 110.48 2ipa h SER 10 Ca 0.00 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.08 2ipa h SER 10 Cb 0.20 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.62 2ipa h SER 10 CO 0.00 0.00 -0.16 0.15 -1.14 0.00 0.00 176.83 175.68 2ipa h PHE 11 N 0.00 -0.34 -0.38 3.45 3.57 -1.61 0.18 116.94 121.80 2ipa h PHE 11 Ca 0.00 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2ipa h PHE 11 Cb 0.04 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2ipa h PHE 11 CO 0.00 -0.28 0.01 0.77 -2.23 0.00 0.00 178.31 176.58 2ipa h SER 12 N -0.00 0.66 -0.52 0.41 0.02 -1.58 -2.61 113.55 109.93 2ipa h SER 12 Ca 0.31 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2ipa h SER 12 Cb 0.47 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2ipa h SER 12 CO -0.66 0.80 0.18 0.00 -1.14 0.00 0.00 176.83 176.01 2ipa h ALA 13 N 0.88 1.26 0.00 3.77 0.00 -1.42 -0.76 119.26 123.00 2ipa h ALA 13 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ipa h ALA 13 Cb 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ipa h ALA 13 CO 0.02 0.53 0.00 0.39 0.00 0.00 0.00 179.25 180.19 2ipa n GLU 14 N -4.30 0.18 0.00 0.00 -0.58 -0.02 -3.85 120.64 112.07 2ipa n GLU 14 Ca 0.04 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 2ipa n GLU 14 Cb 0.20 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 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 -2.10 0.05 1.27 2.62 -2.24 -0.45 -4.72 114.28 108.71 2ipa n THR 15 Ca 0.04 -0.48 0.11 0.00 -2.27 0.00 0.00 64.05 61.45 2ipa n THR 15 Cb 0.30 1.06 0.64 0.00 -2.10 0.00 0.00 70.33 70.22 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 -0.03 0.00 -4.00 3.42 7.64 -0.42 -2.60 113.62 117.63 2ipa n SER 16 Ca 0.00 -0.39 -0.08 0.00 1.01 0.00 0.00 58.87 59.41 2ipa n SER 16 Cb 0.04 -0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.00 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 -2.29 0.56 2.63 1.43 2.02 -1.26 -3.27 118.70 118.53 2ipa s GLU 17 Ca 0.28 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.34 2ipa s GLU 17 Cb 0.16 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.59 2ipa s GLU 17 CO 0.31 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.88 2ipa n GLY 18 N 0.59 0.19 3.41 -1.39 0.00 -1.26 -4.47 105.19 102.26 2ipa n GLY 18 Ca -0.18 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 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 3.36 0.04 1.61 1.01 -1.26 -0.60 120.40 124.56 2ipa s VAL 19 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 2ipa s VAL 19 Cb 0.00 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2ipa s VAL 19 CO 0.00 0.51 -0.01 0.54 0.00 0.00 0.00 175.10 176.14 2ipa s VAL 20 N 0.39 0.16 -0.43 2.92 0.11 -0.26 -2.79 120.40 120.51 2ipa s VAL 20 Ca -0.08 -1.34 0.02 0.00 -2.93 0.00 0.00 61.98 57.65 2ipa s VAL 20 Cb -0.15 -0.93 0.13 0.00 -1.53 0.00 0.00 36.38 33.89 2ipa s VAL 20 CO 0.04 -0.74 0.22 -0.22 -3.33 0.00 0.00 175.10 171.07 2ipa s LEU 21 N -2.23 2.84 0.42 2.54 2.96 -0.19 -0.86 118.68 124.15 2ipa s LEU 21 Ca -0.04 -2.52 -0.22 0.00 -0.22 0.00 0.00 54.13 51.13 2ipa s LEU 21 Cb -0.00 -1.08 -0.10 0.00 0.50 0.00 0.00 46.19 45.50 2ipa s LEU 21 CO -0.06 -0.29 0.98 0.00 -1.32 0.00 0.00 176.35 175.66 2ipa s ALA 22 N 0.48 3.04 0.01 5.97 0.00 -0.26 -1.77 121.76 129.23 2ipa s ALA 22 Ca 0.16 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 2ipa s ALA 22 Cb -0.24 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2ipa s ALA 22 CO -0.03 0.02 0.03 0.34 0.00 0.00 0.00 175.76 176.12 2ipa s ASP 23 N -1.98 0.13 -0.22 0.00 2.15 0.02 -1.23 116.67 115.55 2ipa s ASP 23 Ca 0.60 -0.32 -0.01 0.00 0.43 0.00 0.00 52.55 53.26 2ipa s ASP 23 Cb -0.14 0.13 0.06 0.00 -0.30 0.00 0.00 42.92 42.68 2ipa s ASP 23 CO 0.18 -0.28 -0.00 -0.36 -0.17 0.00 0.00 175.17 174.54 2ipa s PHE 24 N -1.21 1.72 0.07 -5.34 0.40 0.22 -0.49 117.98 113.35 2ipa s PHE 24 Ca -0.13 -1.33 0.05 0.00 -0.60 0.00 0.00 56.93 54.92 2ipa s PHE 24 Cb -0.08 -1.32 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 2ipa s PHE 24 CO -0.00 -0.70 -0.14 1.67 0.70 0.00 0.00 175.22 176.75 2ipa s TRP 25 N 1.62 1.19 -0.07 0.36 1.48 -1.08 -2.64 118.94 119.80 2ipa s TRP 25 Ca -0.03 -0.46 -0.32 0.00 -1.06 0.00 0.00 56.10 54.24 2ipa s TRP 25 Cb -0.18 -0.67 0.12 0.00 -1.16 0.00 0.00 33.47 31.58 2ipa s TRP 25 CO -0.08 0.05 1.15 0.00 -4.06 0.00 0.00 176.95 174.01 2ipa s ALA 26 N -1.27 -2.03 0.11 2.67 0.00 -1.26 -0.93 121.76 119.05 2ipa s ALA 26 Ca -0.02 1.07 0.20 0.00 0.00 0.00 0.00 51.96 53.20 2ipa s ALA 26 Cb -0.10 0.20 1.07 0.00 0.00 0.00 0.00 23.12 24.29 2ipa s ALA 26 CO 0.02 -0.80 1.55 -1.35 0.00 0.00 0.00 175.76 175.18 2ipa h PRO 27 N 2.00 0.00 -0.84 0.00 0.11 -1.98 -2.80 132.00 128.49 2ipa h PRO 27 Ca -0.19 0.00 0.24 0.00 0.11 0.00 0.00 66.00 66.16 2ipa h PRO 27 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2ipa h PRO 27 CO 0.26 0.00 0.66 -1.49 -0.21 0.00 0.00 178.00 177.22 2ipa h TRP 28 N 0.00 0.00 -4.03 0.65 4.06 -1.96 -3.43 115.95 111.24 2ipa h TRP 28 Ca 0.00 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.50 2ipa h TRP 28 Cb 0.44 0.00 -0.24 0.00 -1.00 0.00 0.00 29.16 28.36 2ipa h TRP 28 CO 0.00 0.00 -0.79 0.00 -3.56 0.00 0.00 178.44 174.09 2ipa h GLY 30 N 4.83 -0.03 -0.23 0.00 0.00 -1.89 -3.03 103.07 102.71 2ipa h GLY 30 Ca -0.39 0.01 0.26 0.00 0.00 0.00 0.00 47.33 47.21 2ipa h GLY 30 CO 0.43 -0.01 0.87 -2.55 0.00 0.00 0.00 176.54 175.28 2ipa h PRO 31 N -0.24 0.00 -0.21 4.80 0.11 -1.96 0.58 132.00 135.08 2ipa h PRO 31 Ca -0.00 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.17 2ipa h PRO 31 Cb 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2ipa h PRO 31 CO 0.00 0.00 0.16 0.77 -0.21 0.00 0.00 178.00 178.72 2ipa h SER 32 N 0.00 0.00 -0.62 -2.05 0.02 -1.80 0.32 113.55 109.41 2ipa h SER 32 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 2ipa h SER 32 Cb 2.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.69 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 -4.41 2.50 -0.00 3.45 4.01 0.19 -3.10 118.16 120.81 2ipa n LYS 33 Ca 0.02 -2.33 -0.00 0.00 -0.51 0.00 0.00 58.31 55.49 2ipa n LYS 33 Cb 0.30 -1.51 -0.00 0.00 -0.51 0.00 0.00 35.03 33.31 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 1.41 0.01 -0.03 1.97 2.81 -0.21 -4.48 117.12 118.61 2ipa n MET 34 Ca 0.22 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 56.12 2ipa n MET 34 Cb 0.56 -0.86 0.33 0.00 -0.71 0.00 0.00 33.22 32.54 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 -0.01 1.17 0.47 2.02 6.09 -0.64 -1.90 117.51 124.70 2ipa h ILE 35 Ca -0.01 -0.53 -0.01 0.00 -1.37 0.00 0.00 64.86 62.93 2ipa h ILE 35 Cb 1.02 0.69 -0.02 0.00 0.47 0.00 0.00 36.82 38.97 2ipa h ILE 35 CO -0.00 0.20 -0.45 0.00 -3.07 0.00 0.00 178.15 174.83 2ipa h ALA 36 N 1.58 -1.12 -0.90 0.18 0.00 -1.71 0.30 119.26 117.59 2ipa h ALA 36 Ca 0.14 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2ipa h ALA 36 Cb 0.14 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2ipa h ALA 36 CO -0.01 -1.14 0.58 -1.00 0.00 0.00 0.00 179.25 177.68 2ipa h PRO 37 N -0.91 1.11 -0.96 0.00 0.13 -1.77 -2.34 132.00 127.26 2ipa h PRO 37 Ca -0.06 -0.07 0.08 0.00 -0.87 0.00 0.00 66.00 65.09 2ipa h PRO 37 Cb 0.78 -0.25 -0.07 0.00 0.13 0.00 0.00 31.00 31.59 2ipa h PRO 37 CO -0.05 0.73 0.61 0.28 -0.23 0.00 0.00 178.00 179.34 2ipa h VAL 38 N 1.14 1.01 -0.15 1.56 2.07 -1.08 0.77 116.25 121.57 2ipa h VAL 38 Ca 0.35 -0.36 -0.21 0.00 0.82 0.00 0.00 66.70 67.31 2ipa h VAL 38 Cb -0.02 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.62 2ipa h VAL 38 CO -0.11 0.19 -0.73 -0.07 0.02 0.00 0.00 177.57 176.87 2ipa h LEU 39 N 1.05 0.82 -1.09 2.57 3.38 -0.43 0.17 115.31 121.78 2ipa h LEU 39 Ca 0.44 -0.52 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2ipa h LEU 39 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2ipa h LEU 39 CO -0.21 1.30 -0.16 -0.33 0.09 0.00 0.00 178.44 179.13 2ipa h GLU 40 N 0.49 0.46 0.00 1.13 5.08 -0.93 0.27 114.58 121.07 2ipa h GLU 40 Ca -0.04 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 2ipa h GLU 40 Cb 1.34 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2ipa h GLU 40 CO 0.14 0.61 -0.37 0.93 -1.00 0.00 0.00 179.01 179.32 2ipa h GLU 41 N 0.42 0.00 -0.00 2.33 5.08 -0.65 -2.21 114.58 119.54 2ipa h GLU 41 Ca 0.07 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 2ipa h GLU 41 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2ipa h GLU 41 CO 0.03 0.37 -0.66 1.25 -1.00 0.00 0.00 179.01 179.00 2ipa h LEU 42 N 0.00 0.59 -0.27 1.33 5.85 -0.16 -3.24 115.31 119.41 2ipa h LEU 42 Ca -0.00 -0.75 -0.21 0.00 0.84 0.00 0.00 57.88 57.75 2ipa h LEU 42 Cb 0.78 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2ipa h LEU 42 CO 0.05 1.27 -0.84 -0.78 -0.34 0.00 0.00 178.44 177.80 2ipa h ASP 43 N -0.02 0.56 0.54 1.25 3.58 -0.91 -0.59 116.42 120.83 2ipa h ASP 43 Ca -0.08 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2ipa h ASP 43 Cb 1.37 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2ipa h ASP 43 CO 0.13 1.18 0.00 0.00 -2.88 0.00 0.00 179.24 177.67 2ipa n GLN 44 N -3.81 0.13 -0.12 0.28 10.64 -0.84 -0.28 117.38 123.38 2ipa n GLN 44 Ca -0.06 0.41 -0.26 0.00 -1.83 0.00 0.00 57.00 55.26 2ipa n GLN 44 Cb 0.77 -1.77 -0.11 0.00 -0.86 0.00 0.00 30.24 28.28 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 -2.01 0.58 -0.31 2.61 4.07 -0.86 -4.78 120.64 119.94 2ipa n GLU 45 Ca 0.02 0.39 0.01 0.00 -0.06 0.00 0.00 57.16 57.52 2ipa n GLU 45 Cb 0.18 -1.60 0.01 0.00 -0.06 0.00 0.00 31.44 29.96 2ipa n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ipa n MET 46 N -4.30 0.14 0.00 5.31 0.00 -0.28 -4.80 117.12 113.18 2ipa n MET 46 Ca -0.45 -0.94 0.05 0.00 0.00 0.00 0.00 57.70 56.37 2ipa n MET 46 Cb 0.81 -0.56 0.30 0.00 0.00 0.00 0.00 33.22 33.76 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 -0.08 -0.51 0.25 3.17 0.00 0.62 -1.30 105.19 107.33 2ipa n GLY 47 Ca 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.17 116.42 119.90 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 0.06 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2ipa h ASP 48 CO 0.00 0.15 -1.08 0.29 -2.88 0.00 0.00 179.24 175.72 2ipa n LYS 49 N -3.51 0.40 -4.32 0.28 4.01 -0.42 -4.97 118.16 109.64 2ipa n LYS 49 Ca -0.01 -0.01 -0.24 0.00 -0.51 0.00 0.00 58.31 57.53 2ipa n LYS 49 Cb 0.31 -1.04 -0.13 0.00 -0.51 0.00 0.00 35.03 33.66 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 -3.21 2.29 0.14 -0.35 1.98 -0.93 -4.66 118.68 113.93 2ipa s LEU 50 Ca -0.01 -0.68 0.11 0.00 -2.89 0.00 0.00 54.13 50.66 2ipa s LEU 50 Cb 0.01 -0.92 -0.04 0.00 0.66 0.00 0.00 46.19 45.90 2ipa s LEU 50 CO 0.07 0.07 -0.26 -0.75 -1.89 0.00 0.00 176.35 173.59 2ipa s LYS 51 N -1.87 1.39 -0.00 1.98 2.20 -1.12 -0.71 119.74 121.61 2ipa s LYS 51 Ca 0.07 -1.36 0.04 0.00 -0.36 0.00 0.00 55.97 54.36 2ipa s LYS 51 Cb -0.10 -1.86 -0.01 0.00 -1.51 0.00 0.00 37.83 34.35 2ipa s LYS 51 CO 0.04 0.44 -0.13 0.42 -0.36 0.00 0.00 175.35 175.76 2ipa s ILE 52 N -1.14 1.00 -0.20 5.43 1.01 -1.26 -1.03 121.20 125.02 2ipa s ILE 52 Ca 0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 2ipa s ILE 52 Cb -0.10 -0.85 0.06 0.00 0.01 0.00 0.00 42.46 41.59 2ipa s ILE 52 CO 0.06 0.23 0.06 -0.69 0.00 0.00 0.00 174.94 174.61 2ipa s VAL 53 N -0.38 0.28 0.36 2.92 1.01 -0.73 -0.73 120.40 123.13 2ipa s VAL 53 Ca 0.04 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 2ipa s VAL 53 Cb -0.05 -0.89 -0.09 0.00 0.00 0.00 0.00 36.38 35.35 2ipa s VAL 53 CO -0.00 -0.29 0.79 -0.54 0.00 0.00 0.00 175.10 175.06 2ipa s LYS 54 N 1.97 3.99 -0.15 2.72 1.02 0.20 -0.80 119.74 128.68 2ipa s LYS 54 Ca 0.01 0.71 -0.01 0.00 0.02 0.00 0.00 55.97 56.71 2ipa s LYS 54 Cb -0.17 -2.37 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 2ipa s LYS 54 CO -0.11 0.07 -0.11 0.42 -0.92 0.00 0.00 175.35 174.70 2ipa s ILE 55 N -2.12 3.13 -0.63 2.17 -1.09 0.36 -0.84 121.20 122.17 2ipa s ILE 55 Ca 0.55 -0.62 -0.27 0.00 -2.23 0.00 0.00 60.65 58.08 2ipa s ILE 55 Cb -0.10 -2.34 0.03 0.00 -1.58 0.00 0.00 42.46 38.48 2ipa s ILE 55 CO 0.20 0.51 1.18 -0.62 -1.23 0.00 0.00 174.94 174.97 2ipa s ASP 56 N 0.56 6.33 -0.08 3.58 -1.08 -1.26 -2.64 116.67 122.08 2ipa s ASP 56 Ca -0.07 -0.19 -0.05 0.00 -0.52 0.00 0.00 52.55 51.72 2ipa s ASP 56 Cb -0.15 -2.53 -0.17 0.00 -1.46 0.00 0.00 42.92 38.60 2ipa s ASP 56 CO 0.03 -1.56 3.25 0.52 0.52 0.00 0.00 175.17 177.93 2ipa n VAL 57 N 6.48 2.92 0.00 1.11 0.31 -0.11 -0.46 118.33 128.57 2ipa n VAL 57 Ca 0.05 -1.60 0.00 0.00 -0.01 0.00 0.00 64.34 62.78 2ipa n VAL 57 Cb 0.49 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 2ipa n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2ipa n ASP 58 N 2.07 0.00 0.10 4.52 2.03 -1.26 -4.73 116.55 119.28 2ipa n ASP 58 Ca 0.38 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.51 2ipa n ASP 58 Cb 0.80 0.12 -0.15 0.00 -0.72 0.00 0.00 41.12 41.18 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 0.33 0.00 -0.67 4.81 -1.96 -3.39 114.58 113.70 2ipa h GLU 59 Ca 0.00 -0.57 -0.08 0.00 -0.13 0.00 0.00 59.36 58.57 2ipa h GLU 59 Cb 0.00 0.21 -0.18 0.00 0.63 0.00 0.00 28.75 29.41 2ipa h GLU 59 CO 0.00 1.25 -0.71 0.09 -0.73 0.00 0.00 179.01 178.92 2ipa n ASN 60 N -3.56 1.11 0.00 1.04 3.02 0.39 -4.86 115.26 112.40 2ipa n ASN 60 Ca -0.13 -2.57 0.07 0.00 -0.03 0.00 0.00 54.58 51.93 2ipa n ASN 60 Cb 1.05 -0.35 0.38 0.00 -0.61 0.00 0.00 39.78 40.25 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 -0.17 0.23 -0.17 3.52 10.64 -0.94 -3.83 117.38 126.66 2ipa n GLN 61 Ca 0.09 0.14 -0.02 0.00 -1.83 0.00 0.00 57.00 55.37 2ipa n GLN 61 Cb 0.90 -1.50 0.04 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 0.02 -0.67 2.61 3.07 -1.89 0.43 114.58 118.15 2ipa h GLU 62 Ca 0.00 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 2ipa h GLU 62 Cb 0.13 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 2ipa h GLU 62 CO 0.00 0.01 0.44 1.15 -1.40 0.00 0.00 179.01 179.22 2ipa h THR 63 N 0.02 1.05 0.34 1.13 2.02 -1.81 -0.34 112.91 115.33 2ipa h THR 63 Ca 0.25 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2ipa h THR 63 Cb 0.39 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2ipa h THR 63 CO -0.51 0.14 -0.17 0.00 0.37 0.00 0.00 175.52 175.35 2ipa h ALA 64 N 1.62 -0.74 -0.84 6.16 0.00 -1.19 0.42 119.26 124.70 2ipa h ALA 64 Ca 0.28 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.30 2ipa h ALA 64 Cb 0.16 0.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.00 2ipa h ALA 64 CO -0.08 -0.71 0.18 0.78 0.00 0.00 0.00 179.25 179.42 2ipa h GLY 65 N -0.67 1.21 0.98 0.00 0.00 -1.32 -0.73 103.07 102.54 2ipa h GLY 65 Ca -0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2ipa h GLY 65 CO 0.08 -0.33 0.24 1.70 0.00 0.00 0.00 176.54 178.23 2ipa h LYS 66 N 0.20 0.78 -0.02 4.80 3.64 -0.97 -2.60 116.57 122.40 2ipa h LYS 66 Ca 0.51 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.65 2ipa h LYS 66 Cb 0.98 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2ipa h LYS 66 CO -0.64 0.66 -0.50 -0.92 -2.27 0.00 0.00 179.45 175.78 2ipa h TYR 67 N 0.72 0.05 0.00 1.91 3.20 0.04 -3.47 116.97 119.42 2ipa h TYR 67 Ca 0.18 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2ipa h TYR 67 Cb 0.15 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2ipa h TYR 67 CO -0.00 0.53 0.00 0.41 -1.64 0.00 0.00 178.16 177.46 2ipa n GLY 68 N -0.08 0.82 2.77 1.82 0.00 -0.41 -5.10 105.19 105.01 2ipa n GLY 68 Ca -0.02 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.87 0.02 -0.01 1.61 1.01 -0.44 -4.98 120.40 115.73 2ipa s VAL 69 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.21 2ipa s VAL 69 Cb 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 36.38 36.24 2ipa s VAL 69 CO 0.00 0.13 0.89 1.15 0.00 0.00 0.00 175.10 177.27 2ipa n MET 70 N 4.42 0.24 -4.14 2.72 0.00 -1.26 -2.96 117.12 116.14 2ipa n MET 70 Ca -0.22 -1.05 -0.09 0.00 0.00 0.00 0.00 57.70 56.34 2ipa n MET 70 Cb 0.50 -0.62 -0.10 0.00 0.00 0.00 0.00 33.22 33.01 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 -0.93 0.88 0.02 3.17 1.04 -1.26 -5.14 113.70 111.48 2ipa s SER 71 Ca 0.03 -1.00 -0.00 0.00 0.48 0.00 0.00 55.95 55.46 2ipa s SER 71 Cb 0.03 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 2ipa s SER 71 CO 0.00 -0.52 -0.02 -0.63 0.98 0.00 0.00 173.24 173.05 2ipa s ILE 72 N -3.72 0.10 0.42 -1.02 1.01 -1.26 -4.25 121.20 112.49 2ipa s ILE 72 Ca 0.10 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 2ipa s ILE 72 Cb 0.06 -0.24 -0.09 0.00 0.01 0.00 0.00 42.46 42.20 2ipa s ILE 72 CO -0.07 -0.45 1.01 -2.16 0.00 0.00 0.00 174.94 173.27 2ipa s PRO 73 N -1.31 4.12 0.05 2.79 0.04 -1.26 -4.80 135.00 134.63 2ipa s PRO 73 Ca -0.14 1.34 0.08 0.00 0.04 0.00 0.00 61.00 62.32 2ipa s PRO 73 Cb -0.09 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 2ipa s PRO 73 CO -0.01 -0.15 -0.23 0.99 0.04 0.00 0.00 177.00 177.64 2ipa s THR 74 N -1.89 1.87 -0.04 1.26 2.01 -1.08 -1.00 115.64 116.76 2ipa s THR 74 Ca 0.61 -1.31 0.06 0.00 0.31 0.00 0.00 61.69 61.35 2ipa s THR 74 Cb -0.16 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 2ipa s THR 74 CO 0.21 0.25 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.41 2ipa s LEU 75 N -1.27 2.00 -0.31 4.42 1.43 0.33 -0.61 118.68 124.66 2ipa s LEU 75 Ca 0.09 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2ipa s LEU 75 Cb -0.09 -1.15 0.09 0.00 0.03 0.00 0.00 46.19 45.07 2ipa s LEU 75 CO 0.02 0.22 0.01 -0.76 0.23 0.00 0.00 176.35 176.07 2ipa s LEU 76 N -0.18 4.13 -0.20 1.79 1.43 -0.36 -1.47 118.68 123.82 2ipa s LEU 76 Ca -0.01 -1.89 -0.23 0.00 -1.03 0.00 0.00 54.13 50.97 2ipa s LEU 76 Cb -0.11 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 2ipa s LEU 76 CO 0.02 -0.33 0.74 -0.69 0.23 0.00 0.00 176.35 176.31 2ipa s VAL 77 N 1.04 4.93 0.13 -1.59 1.01 0.12 -1.11 120.40 124.93 2ipa s VAL 77 Ca 0.06 1.41 0.08 0.00 0.00 0.00 0.00 61.98 63.53 2ipa s VAL 77 Cb -0.19 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2ipa s VAL 77 CO -0.09 0.04 -0.18 -0.76 0.00 0.00 0.00 175.10 174.11 2ipa s LEU 78 N 2.23 2.38 -0.01 3.92 1.02 -0.04 -0.85 118.68 127.34 2ipa s LEU 78 Ca 0.33 -0.79 -0.00 0.00 0.02 0.00 0.00 54.13 53.69 2ipa s LEU 78 Cb -0.16 -0.80 0.00 0.00 0.02 0.00 0.00 46.19 45.26 2ipa s LEU 78 CO 0.10 -0.02 0.01 -1.59 0.02 0.00 0.00 176.35 174.87 2ipa s LYS 79 N -2.44 0.00 -0.37 1.70 -2.85 0.28 -1.10 119.74 114.96 2ipa s LYS 79 Ca 0.11 0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.12 2ipa s LYS 79 Cb -0.07 -0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.67 2ipa s LYS 79 CO 0.05 -0.02 0.00 -3.47 0.10 0.00 0.00 175.35 172.01 2ipa n ASP 80 N 3.23 -1.72 0.00 0.03 2.03 0.24 -0.92 116.55 119.43 2ipa n ASP 80 Ca -0.14 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2ipa n ASP 80 Cb 0.59 -1.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 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 -0.46 0.86 3.10 0.27 0.00 -1.07 -4.65 105.19 103.24 2ipa n GLY 81 Ca -0.05 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.60 0.92 0.35 1.61 -1.05 -0.10 -4.95 118.70 114.89 2ipa s GLU 82 Ca 0.00 -0.57 -0.28 0.00 -0.15 0.00 0.00 54.97 53.97 2ipa s GLU 82 Cb 0.00 -0.90 -0.10 0.00 -0.44 0.00 0.00 34.13 32.69 2ipa s GLU 82 CO 0.00 0.23 1.31 0.54 0.95 0.00 0.00 175.26 178.30 2ipa s VAL 83 N -0.56 2.66 0.00 1.83 0.11 -1.26 -0.55 120.40 122.62 2ipa s VAL 83 Ca 0.03 0.64 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 2ipa s VAL 83 Cb -0.06 -3.40 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 2ipa s VAL 83 CO 0.00 0.14 0.00 0.55 -3.33 0.00 0.00 175.10 172.46 2ipa n VAL 84 N 0.60 0.00 -3.84 2.04 3.14 -0.03 -4.87 118.33 115.37 2ipa n VAL 84 Ca 0.01 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.30 2ipa n VAL 84 Cb 0.42 0.09 -0.07 0.00 -1.06 0.00 0.00 33.84 33.22 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 -0.77 0.99 -0.02 1.45 0.41 -0.94 -5.03 118.70 114.78 2ipa s GLU 85 Ca 0.00 -0.97 -0.11 0.00 -0.41 0.00 0.00 54.97 53.48 2ipa s GLU 85 Cb 0.00 0.38 0.01 0.00 -1.78 0.00 0.00 34.13 32.75 2ipa s GLU 85 CO 0.00 -0.35 0.23 0.99 -0.49 0.00 0.00 175.26 175.64 2ipa s THR 86 N -3.88 0.06 -0.06 3.63 2.01 -1.26 -0.71 115.64 115.43 2ipa s THR 86 Ca 0.08 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 61.45 2ipa s THR 86 Cb 0.04 -0.50 0.03 0.00 0.01 0.00 0.00 72.50 72.08 2ipa s THR 86 CO -0.08 -0.26 0.34 -0.44 -0.69 0.00 0.00 174.62 173.48 2ipa s SER 87 N -1.11 -0.28 -0.41 3.53 0.01 -0.54 -4.98 113.70 109.92 2ipa s SER 87 Ca -0.12 0.36 0.09 0.00 1.31 0.00 0.00 55.95 57.58 2ipa s SER 87 Cb -0.06 0.49 0.27 0.00 0.21 0.00 0.00 66.02 66.93 2ipa s SER 87 CO 0.03 -0.32 0.59 0.52 0.41 0.00 0.00 173.24 174.47 2ipa n VAL 88 N 1.91 -0.24 0.00 3.43 0.31 -1.26 -0.52 118.33 121.96 2ipa n VAL 88 Ca -0.18 -4.27 0.00 0.00 -0.01 0.00 0.00 64.34 59.88 2ipa n VAL 88 Cb 0.57 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 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 1.09 2.56 3.81 2.92 0.00 -0.17 -4.90 105.19 110.50 2ipa n GLY 89 Ca 0.23 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 2ipa n GLY 89 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ipa s PHE 90 N -2.00 3.03 -0.03 1.61 -0.12 -1.26 -4.77 117.98 114.43 2ipa s PHE 90 Ca 0.00 1.47 -0.08 0.00 -0.05 0.00 0.00 56.93 58.27 2ipa s PHE 90 Cb 0.00 -2.94 0.01 0.00 -0.63 0.00 0.00 43.02 39.46 2ipa s PHE 90 CO 0.00 -1.22 0.18 0.21 -0.05 0.00 0.00 175.22 174.34 2ipa s LYS 91 N -4.63 0.38 0.90 1.99 2.47 -1.26 -5.11 119.74 114.47 2ipa s LYS 91 Ca 0.61 -0.07 -0.12 0.00 -1.56 0.00 0.00 55.97 54.83 2ipa s LYS 91 Cb -0.15 0.17 0.13 0.00 -1.46 0.00 0.00 37.83 36.52 2ipa s LYS 91 CO 0.48 -0.08 1.09 -1.25 0.16 0.00 0.00 175.35 175.75 2ipa s PRO 92 N -0.69 1.23 0.25 4.03 0.04 -1.26 -4.69 135.00 133.90 2ipa s PRO 92 Ca -0.08 0.73 -0.07 0.00 0.04 0.00 0.00 61.00 61.62 2ipa s PRO 92 Cb -0.05 -1.81 0.44 0.00 0.04 0.00 0.00 34.50 33.12 2ipa s PRO 92 CO 0.01 -2.23 1.63 -0.22 0.04 0.00 0.00 177.00 176.23 2ipa h LYS 93 N -1.54 0.08 -0.28 4.56 1.63 -1.97 0.91 116.57 119.96 2ipa h LYS 93 Ca -0.50 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.20 2ipa h LYS 93 Cb 1.29 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 2ipa h LYS 93 CO 0.56 0.06 -0.21 0.93 -3.45 0.00 0.00 179.45 177.33 2ipa h GLU 94 N 0.09 0.65 -0.15 1.90 5.08 -1.97 -0.75 114.58 119.42 2ipa h GLU 94 Ca 0.42 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 2ipa h GLU 94 Cb 0.73 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2ipa h GLU 94 CO -0.69 0.91 -0.30 0.00 -1.00 0.00 0.00 179.01 177.94 2ipa h ALA 95 N 0.72 1.22 0.19 3.43 0.00 -1.68 0.05 119.26 123.19 2ipa h ALA 95 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2ipa h ALA 95 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ipa h ALA 95 CO 0.06 0.52 -0.09 1.25 0.00 0.00 0.00 179.25 180.98 2ipa h LEU 96 N 0.26 -0.22 -0.79 0.00 7.12 -0.64 -0.55 115.31 120.49 2ipa h LEU 96 Ca 0.04 -0.10 -0.07 0.00 0.13 0.00 0.00 57.88 57.88 2ipa h LEU 96 Cb 0.66 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.82 2ipa h LEU 96 CO 0.05 -0.04 0.09 0.06 -0.13 0.00 0.00 178.44 178.47 2ipa h GLN 97 N -0.39 1.00 -0.36 1.25 3.07 -0.93 -2.40 115.11 116.36 2ipa h GLN 97 Ca -0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 58.65 58.45 2ipa h GLN 97 Cb 0.30 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 27.72 2ipa h GLN 97 CO 0.04 0.93 0.22 1.49 0.09 0.00 0.00 178.83 181.61 2ipa h GLU 98 N 0.94 0.48 -0.94 0.06 4.81 -0.92 0.13 114.58 119.15 2ipa h GLU 98 Ca 0.19 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 2ipa h GLU 98 Cb 0.42 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 2ipa h GLU 98 CO 0.01 0.36 0.60 1.25 -0.73 0.00 0.00 179.01 180.50 2ipa h LEU 99 N 0.47 0.96 0.15 1.64 5.85 -0.59 -1.55 115.31 122.24 2ipa h LEU 99 Ca 0.13 0.01 -0.36 0.00 0.84 0.00 0.00 57.88 58.50 2ipa h LEU 99 Cb -0.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 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 1.11 0.77 -0.68 1.05 3.04 -1.44 -3.38 116.25 116.72 2ipa h VAL 100 Ca 0.40 -2.43 0.10 0.00 -1.01 0.00 0.00 66.70 63.76 2ipa h VAL 100 Cb 0.13 2.62 -0.04 0.00 -2.01 0.00 0.00 31.29 32.00 2ipa h VAL 100 CO -0.16 0.88 0.45 -1.13 -1.01 0.00 0.00 177.57 176.60 2ipa h ASN 101 N 0.09 0.49 0.28 3.17 -1.24 -0.37 0.39 115.58 118.39 2ipa h ASN 101 Ca -0.38 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.64 2ipa h ASN 101 Cb 2.06 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 41.02 2ipa h ASN 101 CO 0.13 0.30 0.00 2.29 -1.29 0.00 0.00 177.43 178.86 2ipa n LYS 102 N -4.48 0.12 0.00 6.67 2.85 -0.61 -3.14 118.16 119.57 2ipa n LYS 102 Ca 0.11 0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 2ipa n LYS 102 Cb 0.35 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.23 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 -1.35 0.00 0.00 5.58 8.25 -0.31 -5.14 115.22 122.26 2ipa n HIS 103 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2ipa n HIS 103 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87