#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 -3.45 -2.51 -5.12 0.00 -1.26 -4.82 120.51 103.35 2ipa n ALA 2 Ca 0.00 0.84 -0.43 0.00 0.00 0.00 0.00 53.44 53.85 2ipa n ALA 2 Cb 0.00 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 17.94 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 -4.09 5.07 0.74 0.00 1.09 -1.26 -4.00 121.20 118.75 2ipa s ILE 3 Ca 0.00 -0.36 -0.11 0.00 -1.10 0.00 0.00 60.65 59.08 2ipa s ILE 3 Cb 0.00 -4.06 0.04 0.00 -1.06 0.00 0.00 42.46 37.38 2ipa s ILE 3 CO 0.00 -0.46 1.11 -0.69 -0.10 0.00 0.00 174.94 174.80 2ipa s VAL 4 N 2.17 2.81 -0.16 2.92 1.01 -0.05 -4.92 120.40 124.19 2ipa s VAL 4 Ca 0.12 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2ipa s VAL 4 Cb -0.17 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 32.99 2ipa s VAL 4 CO 0.13 -0.32 -0.11 -0.75 0.00 0.00 0.00 175.10 174.05 2ipa s LYS 5 N -5.41 2.02 0.97 2.72 2.20 -1.26 -0.51 119.74 120.48 2ipa s LYS 5 Ca 0.60 -0.58 -0.15 0.00 -0.36 0.00 0.00 55.97 55.48 2ipa s LYS 5 Cb -0.11 -2.09 0.18 0.00 -1.51 0.00 0.00 37.83 34.30 2ipa s LYS 5 CO 0.50 -0.31 1.19 0.00 -0.36 0.00 0.00 175.35 176.37 2ipa s ALA 6 N 1.51 1.77 0.23 3.13 0.00 0.32 -4.90 121.76 123.82 2ipa s ALA 6 Ca 0.03 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 2ipa s ALA 6 Cb -0.14 -2.92 0.03 0.00 0.00 0.00 0.00 23.12 20.09 2ipa s ALA 6 CO -0.09 -2.53 0.41 -2.37 0.00 0.00 0.00 175.76 171.18 2ipa n THR 7 N -3.92 0.00 -0.18 0.00 5.66 -1.26 -4.76 114.28 109.82 2ipa n THR 7 Ca 0.11 -0.75 0.17 0.00 -3.05 0.00 0.00 64.05 60.53 2ipa n THR 7 Cb 0.60 0.61 0.32 0.00 -1.55 0.00 0.00 70.33 70.31 2ipa n THR 7 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2ipa n ASP 8 N -1.48 0.17 0.00 1.09 2.03 -1.26 -1.31 116.55 115.79 2ipa n ASP 8 Ca -0.03 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.23 2ipa n ASP 8 Cb 0.35 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 -4.34 2.00 0.31 -0.67 6.02 -1.26 -4.52 117.38 114.92 2ipa n GLN 9 Ca 0.21 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.39 2ipa n GLN 9 Cb 0.71 -0.74 1.05 0.00 1.02 0.00 0.00 30.24 32.27 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 -0.49 1.08 0.02 -1.84 -1.76 113.55 110.56 2ipa h SER 10 Ca 0.00 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 2ipa h SER 10 Cb 0.47 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.91 2ipa h SER 10 CO 0.00 0.00 -0.21 0.15 -1.14 0.00 0.00 176.83 175.63 2ipa h PHE 11 N 0.00 -0.54 -0.35 3.45 3.57 -1.50 0.32 116.94 121.89 2ipa h PHE 11 Ca 0.01 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2ipa h PHE 11 Cb 0.10 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2ipa h PHE 11 CO 0.00 -0.30 0.07 0.77 -2.23 0.00 0.00 178.31 176.62 2ipa h SER 12 N -0.10 0.54 -0.54 0.41 0.02 -1.61 -2.57 113.55 109.70 2ipa h SER 12 Ca 0.23 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2ipa h SER 12 Cb 0.46 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2ipa h SER 12 CO -0.56 0.65 0.23 0.00 -1.14 0.00 0.00 176.83 176.01 2ipa h ALA 13 N 0.91 1.33 0.00 3.77 0.00 -1.40 -0.61 119.26 123.26 2ipa h ALA 13 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ipa h ALA 13 Cb 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ipa h ALA 13 CO 0.00 0.50 0.00 0.39 0.00 0.00 0.00 179.25 180.15 2ipa n GLU 14 N -4.33 0.19 0.00 0.00 -0.58 0.05 -3.89 120.64 112.08 2ipa n GLU 14 Ca 0.05 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 2ipa n GLU 14 Cb 0.16 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 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 -2.11 0.00 0.56 2.62 -2.24 -0.52 -4.74 114.28 107.85 2ipa n THR 15 Ca 0.05 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.42 2ipa n THR 15 Cb 0.35 1.00 0.39 0.00 -2.10 0.00 0.00 70.33 69.97 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 -0.27 0.13 -3.93 3.42 7.64 -0.35 -2.52 113.62 117.74 2ipa n SER 16 Ca 0.00 0.53 -0.10 0.00 1.01 0.00 0.00 58.87 60.31 2ipa n SER 16 Cb 0.01 -0.56 -0.11 0.00 -1.01 0.00 0.00 64.21 62.53 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 -3.05 0.28 1.80 1.43 2.02 -1.26 -3.13 118.70 116.78 2ipa s GLU 17 Ca 0.08 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.65 2ipa s GLU 17 Cb 0.11 0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.45 2ipa s GLU 17 CO 0.33 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.97 2ipa n GLY 18 N 1.91 -1.13 3.56 -1.39 0.00 -1.26 -4.69 105.19 102.19 2ipa n GLY 18 Ca -0.21 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 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 4.91 -0.13 1.61 1.01 -1.26 -0.88 120.40 125.66 2ipa s VAL 19 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 2ipa s VAL 19 Cb 0.00 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 33.12 2ipa s VAL 19 CO 0.00 0.33 0.01 -0.69 0.00 0.00 0.00 175.10 174.75 2ipa s VAL 20 N 1.40 0.45 0.23 2.92 1.01 -0.10 -2.72 120.40 123.58 2ipa s VAL 20 Ca 0.06 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 2ipa s VAL 20 Cb -0.15 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.39 2ipa s VAL 20 CO 0.06 0.06 0.90 -0.22 0.00 0.00 0.00 175.10 175.90 2ipa s LEU 21 N 1.92 4.60 0.10 3.92 0.20 -0.17 -0.85 118.68 128.40 2ipa s LEU 21 Ca 0.03 1.86 0.10 0.00 0.69 0.00 0.00 54.13 56.81 2ipa s LEU 21 Cb -0.14 -3.57 -0.04 0.00 -0.43 0.00 0.00 46.19 42.01 2ipa s LEU 21 CO -0.07 0.15 -0.27 0.00 -0.29 0.00 0.00 176.35 175.88 2ipa s ALA 22 N -1.22 2.32 0.01 5.97 0.00 0.80 -1.09 121.76 128.56 2ipa s ALA 22 Ca 0.41 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 2ipa s ALA 22 Cb -0.24 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 2ipa s ALA 22 CO 0.30 0.53 0.03 0.34 0.00 0.00 0.00 175.76 176.96 2ipa s ASP 23 N -1.77 0.13 -0.16 0.00 2.15 -0.43 -1.25 116.67 115.35 2ipa s ASP 23 Ca 0.13 -0.31 -0.01 0.00 0.43 0.00 0.00 52.55 52.79 2ipa s ASP 23 Cb -0.10 0.13 0.04 0.00 -0.30 0.00 0.00 42.92 42.69 2ipa s ASP 23 CO 0.05 -0.27 -0.03 -0.36 -0.17 0.00 0.00 175.17 174.38 2ipa s PHE 24 N -1.17 1.47 0.10 -5.34 0.40 0.12 -0.55 117.98 113.01 2ipa s PHE 24 Ca -0.13 -0.93 0.03 0.00 -0.60 0.00 0.00 56.93 55.30 2ipa s PHE 24 Cb -0.08 -1.21 -0.04 0.00 0.51 0.00 0.00 43.02 42.21 2ipa s PHE 24 CO -0.00 -0.58 -0.09 1.67 0.70 0.00 0.00 175.22 176.92 2ipa s TRP 25 N 1.71 1.01 -0.07 0.36 1.48 -0.81 -2.60 118.94 120.02 2ipa s TRP 25 Ca 0.01 -0.70 -0.32 0.00 -1.06 0.00 0.00 56.10 54.03 2ipa s TRP 25 Cb -0.15 -0.56 0.13 0.00 -1.16 0.00 0.00 33.47 31.73 2ipa s TRP 25 CO -0.07 -0.03 1.30 0.00 -4.06 0.00 0.00 176.95 174.08 2ipa s ALA 26 N -2.65 -2.24 0.43 2.67 0.00 -1.26 -1.97 121.76 116.74 2ipa s ALA 26 Ca 0.06 0.93 0.18 0.00 0.00 0.00 0.00 51.96 53.14 2ipa s ALA 26 Cb -0.01 0.23 0.98 0.00 0.00 0.00 0.00 23.12 24.32 2ipa s ALA 26 CO -0.01 -0.96 1.51 -1.35 0.00 0.00 0.00 175.76 174.95 2ipa h PRO 27 N 2.00 0.00 -0.04 0.00 0.11 -1.96 -2.97 132.00 129.13 2ipa h PRO 27 Ca -0.26 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.86 2ipa h PRO 27 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ipa h PRO 27 CO 0.27 0.00 0.12 -1.49 -0.21 0.00 0.00 178.00 176.69 2ipa h TRP 28 N 0.00 0.00 -4.07 0.65 4.06 -1.97 -3.45 115.95 111.17 2ipa h TRP 28 Ca 0.00 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.83 2ipa h TRP 28 Cb 0.90 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 28.90 2ipa h TRP 28 CO 0.00 0.00 -0.61 0.00 -3.56 0.00 0.00 178.44 174.27 2ipa h GLY 30 N 3.33 0.02 0.13 0.00 0.00 -1.88 -3.26 103.07 101.41 2ipa h GLY 30 Ca -0.34 -0.02 0.23 0.00 0.00 0.00 0.00 47.33 47.20 2ipa h GLY 30 CO 0.59 0.02 0.71 -2.55 0.00 0.00 0.00 176.54 175.32 2ipa h PRO 31 N -0.50 0.00 -0.08 4.80 0.11 -1.97 0.53 132.00 134.88 2ipa h PRO 31 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 2ipa h PRO 31 Cb 0.54 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 2ipa h PRO 31 CO 0.00 0.00 0.14 0.77 -0.21 0.00 0.00 178.00 178.70 2ipa h SER 32 N 0.00 0.00 -0.53 -2.05 0.02 -1.82 0.31 113.55 109.47 2ipa h SER 32 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2ipa h SER 32 Cb 1.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.34 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 -3.48 2.79 0.00 3.45 4.01 0.17 -3.73 118.16 121.38 2ipa n LYS 33 Ca -0.01 -2.34 0.00 0.00 -0.51 0.00 0.00 58.31 55.45 2ipa n LYS 33 Cb 0.23 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 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 1.06 0.00 -0.21 1.97 2.81 -0.10 -4.49 117.12 118.16 2ipa n MET 34 Ca 0.18 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.05 2ipa n MET 34 Cb 0.52 -0.87 0.18 0.00 -0.71 0.00 0.00 33.22 32.34 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 1.22 0.39 2.02 6.09 -0.72 -2.47 117.51 124.04 2ipa h ILE 35 Ca 0.00 -0.62 -0.00 0.00 -1.37 0.00 0.00 64.86 62.86 2ipa h ILE 35 Cb 0.98 0.31 -0.03 0.00 0.47 0.00 0.00 36.82 38.55 2ipa h ILE 35 CO 0.00 0.26 -0.46 0.00 -3.07 0.00 0.00 178.15 174.89 2ipa h ALA 36 N 1.38 -0.98 -0.98 0.18 0.00 -1.73 0.36 119.26 117.49 2ipa h ALA 36 Ca 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2ipa h ALA 36 Cb 0.09 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2ipa h ALA 36 CO -0.03 -1.09 0.65 -1.00 0.00 0.00 0.00 179.25 177.77 2ipa h PRO 37 N -0.87 1.29 -0.85 0.00 0.13 -1.78 -2.41 132.00 127.51 2ipa h PRO 37 Ca -0.04 -0.08 0.08 0.00 -0.87 0.00 0.00 66.00 65.09 2ipa h PRO 37 Cb 0.79 -0.29 -0.07 0.00 0.13 0.00 0.00 31.00 31.56 2ipa h PRO 37 CO -0.10 0.86 0.51 0.28 -0.23 0.00 0.00 178.00 179.32 2ipa h VAL 38 N 1.33 0.99 -0.37 1.56 2.07 -0.94 0.24 116.25 121.13 2ipa h VAL 38 Ca 0.36 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 2ipa h VAL 38 Cb -0.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.61 2ipa h VAL 38 CO -0.08 0.17 -0.15 -0.07 0.02 0.00 0.00 177.57 177.46 2ipa h LEU 39 N 0.90 0.78 -0.71 2.57 3.38 -0.46 -0.25 115.31 121.52 2ipa h LEU 39 Ca 0.39 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2ipa h LEU 39 Cb 0.26 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2ipa h LEU 39 CO -0.20 1.00 0.13 -0.33 0.09 0.00 0.00 178.44 179.12 2ipa h GLU 40 N 0.55 1.12 0.00 1.13 5.08 -1.03 0.11 114.58 121.53 2ipa h GLU 40 Ca 0.09 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2ipa h GLU 40 Cb 0.69 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2ipa h GLU 40 CO 0.05 1.01 -0.18 0.93 -1.00 0.00 0.00 179.01 179.82 2ipa h GLU 41 N 1.05 0.00 0.05 2.33 4.39 -0.80 -1.58 114.58 120.02 2ipa h GLU 41 Ca 0.21 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.78 2ipa h GLU 41 Cb 0.42 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2ipa h GLU 41 CO 0.01 0.18 -0.55 1.25 -1.16 0.00 0.00 179.01 178.74 2ipa h LEU 42 N 0.00 0.39 -0.72 1.33 5.85 -0.42 -3.25 115.31 118.49 2ipa h LEU 42 Ca -0.00 -0.86 -0.13 0.00 0.84 0.00 0.00 57.88 57.73 2ipa h LEU 42 Cb 0.56 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2ipa h LEU 42 CO 0.02 1.21 -0.44 -0.78 -0.34 0.00 0.00 178.44 178.12 2ipa h ASP 43 N -0.37 0.49 -0.04 1.25 3.58 -0.84 0.21 116.42 120.70 2ipa h ASP 43 Ca -0.08 -0.22 0.01 0.00 0.42 0.00 0.00 57.03 57.15 2ipa h ASP 43 Cb 1.34 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 2ipa h ASP 43 CO 0.11 0.87 0.04 1.56 -2.88 0.00 0.00 179.24 178.93 2ipa h GLN 44 N 0.37 0.00 0.02 0.28 4.20 -1.42 0.12 115.11 118.68 2ipa h GLN 44 Ca 0.03 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.35 2ipa h GLN 44 Cb 0.92 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.65 2ipa h GLN 44 CO 0.08 0.00 -2.19 -1.91 -0.67 0.00 0.00 178.83 174.13 2ipa n GLU 45 N -3.95 0.62 -0.21 1.46 2.13 -0.60 -4.75 120.64 115.33 2ipa n GLU 45 Ca -0.02 0.30 0.01 0.00 0.66 0.00 0.00 57.16 58.12 2ipa n GLU 45 Cb 0.13 -1.58 0.02 0.00 0.27 0.00 0.00 31.44 30.28 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 -3.95 0.57 0.00 5.31 0.00 -0.04 -4.75 117.12 114.26 2ipa n MET 46 Ca -0.45 -1.13 0.05 0.00 0.00 0.00 0.00 57.70 56.16 2ipa n MET 46 Cb 0.89 -0.71 0.27 0.00 0.00 0.00 0.00 33.22 33.67 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 -0.28 -0.47 0.24 3.17 0.00 0.40 -1.26 105.19 107.00 2ipa n GLY 47 Ca 0.02 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.86 0.13 116.42 119.89 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 0.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2ipa h ASP 48 CO 0.00 0.18 -1.24 0.29 -2.88 0.00 0.00 179.24 175.59 2ipa n LYS 49 N -3.47 2.04 -4.23 0.28 4.01 -0.39 -4.97 118.16 111.45 2ipa n LYS 49 Ca -0.01 -0.02 -0.29 0.00 -0.51 0.00 0.00 58.31 57.49 2ipa n LYS 49 Cb 0.35 -1.10 -0.09 0.00 -0.51 0.00 0.00 35.03 33.68 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 -3.88 3.10 0.09 -0.35 2.96 -0.74 -4.67 118.68 115.19 2ipa s LEU 50 Ca -0.02 -0.42 0.09 0.00 -0.22 0.00 0.00 54.13 53.56 2ipa s LEU 50 Cb 0.02 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2ipa s LEU 50 CO 0.16 0.15 -0.22 -0.75 -1.32 0.00 0.00 176.35 174.37 2ipa s LYS 51 N -2.47 1.27 -0.02 1.98 2.20 -1.10 -0.65 119.74 120.95 2ipa s LYS 51 Ca 0.23 -1.14 0.03 0.00 -0.36 0.00 0.00 55.97 54.73 2ipa s LYS 51 Cb -0.10 -1.54 -0.00 0.00 -1.51 0.00 0.00 37.83 34.67 2ipa s LYS 51 CO 0.15 0.37 -0.10 0.42 -0.36 0.00 0.00 175.35 175.83 2ipa s ILE 52 N -1.04 0.85 -0.14 5.43 1.01 -1.26 -1.00 121.20 125.05 2ipa s ILE 52 Ca 0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 2ipa s ILE 52 Cb -0.10 -0.74 0.05 0.00 0.01 0.00 0.00 42.46 41.69 2ipa s ILE 52 CO 0.04 0.25 0.05 -0.69 0.00 0.00 0.00 174.94 174.59 2ipa s VAL 53 N 0.04 0.22 0.51 2.92 1.01 -0.25 -0.87 120.40 123.98 2ipa s VAL 53 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2ipa s VAL 53 Cb -0.07 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 2ipa s VAL 53 CO 0.00 -0.09 0.79 -0.54 0.00 0.00 0.00 175.10 175.27 2ipa s LYS 54 N 2.01 3.24 -0.08 2.72 1.02 0.34 -1.31 119.74 127.68 2ipa s LYS 54 Ca 0.02 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 55.99 2ipa s LYS 54 Cb -0.15 -2.39 0.02 0.00 -0.52 0.00 0.00 37.83 34.79 2ipa s LYS 54 CO -0.07 -0.37 -0.07 0.42 -0.92 0.00 0.00 175.35 174.34 2ipa s ILE 55 N -2.77 0.87 -0.48 2.17 -1.09 0.29 -0.52 121.20 119.66 2ipa s ILE 55 Ca 0.49 -0.25 -0.26 0.00 -2.23 0.00 0.00 60.65 58.41 2ipa s ILE 55 Cb -0.10 -0.88 0.03 0.00 -1.58 0.00 0.00 42.46 39.93 2ipa s ILE 55 CO 0.43 0.32 0.97 -0.62 -1.23 0.00 0.00 174.94 174.81 2ipa s ASP 56 N 1.32 6.50 0.00 3.58 -1.08 -1.26 -1.93 116.67 123.79 2ipa s ASP 56 Ca -0.03 0.11 0.00 0.00 -0.52 0.00 0.00 52.55 52.11 2ipa s ASP 56 Cb -0.14 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 2ipa s ASP 56 CO -0.03 -1.12 1.93 1.33 0.52 0.00 0.00 175.17 177.80 2ipa n VAL 57 N 6.47 1.93 0.00 1.11 0.24 -0.83 -1.52 118.33 125.73 2ipa n VAL 57 Ca 0.07 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2ipa n VAL 57 Cb 0.48 -1.47 0.00 0.00 -1.47 0.00 0.00 33.84 31.38 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 1.46 0.00 -0.01 -1.34 2.03 -1.26 -4.69 116.55 112.74 2ipa n ASP 58 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 2ipa n ASP 58 Cb 0.49 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.07 -0.83 -0.67 4.81 -1.97 -3.41 114.58 112.44 2ipa h GLU 59 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 2ipa h GLU 59 Cb 0.00 0.02 -0.40 0.00 0.63 0.00 0.00 28.75 28.99 2ipa h GLU 59 CO 0.00 0.55 -1.16 0.27 -0.73 0.00 0.00 179.01 177.94 2ipa n ASN 60 N -4.79 1.62 0.00 1.04 6.94 -0.57 -4.90 115.26 114.60 2ipa n ASN 60 Ca -0.08 -2.53 0.09 0.00 -0.02 0.00 0.00 54.58 52.04 2ipa n ASN 60 Cb 0.32 -0.51 0.51 0.00 -2.36 0.00 0.00 39.78 37.74 2ipa n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ipa n GLN 61 N -0.25 0.42 -0.28 -3.83 10.64 -1.07 -3.97 117.38 119.04 2ipa n GLN 61 Ca 0.10 0.06 0.01 0.00 -1.83 0.00 0.00 57.00 55.33 2ipa n GLN 61 Cb 0.81 -1.50 0.13 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 0.79 -0.77 2.61 4.39 -1.90 0.22 114.58 119.91 2ipa h GLU 62 Ca 0.00 -0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.75 2ipa h GLU 62 Cb 0.09 -0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 28.49 2ipa h GLU 62 CO 0.00 0.52 0.41 1.15 -1.16 0.00 0.00 179.01 179.93 2ipa h THR 63 N 0.81 0.85 0.36 1.13 2.02 -1.79 -0.16 112.91 116.14 2ipa h THR 63 Ca 0.35 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 2ipa h THR 63 Cb 0.24 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2ipa h THR 63 CO -0.20 0.12 -0.17 0.00 0.37 0.00 0.00 175.52 175.64 2ipa h ALA 64 N 1.46 -0.48 -0.85 6.16 0.00 -1.28 -0.62 119.26 123.64 2ipa h ALA 64 Ca 0.38 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.31 2ipa h ALA 64 Cb 0.40 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.27 2ipa h ALA 64 CO -0.27 -0.50 0.39 0.78 0.00 0.00 0.00 179.25 179.65 2ipa h GLY 65 N -1.03 1.41 1.00 0.00 0.00 -1.26 0.22 103.07 103.41 2ipa h GLY 65 Ca -0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 2ipa h GLY 65 CO 0.08 -0.16 0.14 1.70 0.00 0.00 0.00 176.54 178.30 2ipa h LYS 66 N 0.48 0.91 -0.03 4.80 3.64 -0.89 -2.33 116.57 123.16 2ipa h LYS 66 Ca 0.50 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.55 2ipa h LYS 66 Cb 0.85 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 2ipa h LYS 66 CO -0.46 0.85 -0.50 -0.92 -2.27 0.00 0.00 179.45 176.15 2ipa h TYR 67 N 0.81 0.08 -1.45 1.91 3.20 -0.58 -3.48 116.97 117.46 2ipa h TYR 67 Ca 0.18 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2ipa h TYR 67 Cb 0.34 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2ipa h TYR 67 CO 0.02 0.56 0.00 0.41 -1.64 0.00 0.00 178.16 177.51 2ipa n GLY 68 N -0.05 0.44 0.23 1.82 0.00 -0.08 -5.07 105.19 102.47 2ipa n GLY 68 Ca -0.02 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.54 1.13 -0.51 1.61 0.31 -0.35 -4.98 118.33 115.00 2ipa n VAL 69 Ca 0.00 0.24 -0.01 0.00 -0.01 0.00 0.00 64.34 64.56 2ipa n VAL 69 Cb 0.24 -2.05 -0.00 0.00 -0.91 0.00 0.00 33.84 31.12 2ipa n VAL 69 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2ipa n MET 70 N -3.90 -1.95 -4.10 5.55 0.00 -1.26 -4.88 117.12 106.57 2ipa n MET 70 Ca -0.09 0.25 -0.09 0.00 0.00 0.00 0.00 57.70 57.77 2ipa n MET 70 Cb 0.34 -3.72 -0.10 0.00 0.00 0.00 0.00 33.22 29.74 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 -0.98 0.35 0.00 3.17 1.04 -1.26 -5.13 113.70 110.89 2ipa s SER 71 Ca 0.00 -1.07 -0.04 0.00 0.48 0.00 0.00 55.95 55.31 2ipa s SER 71 Cb 0.00 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.39 2ipa s SER 71 CO 0.00 -0.69 0.07 -0.63 0.98 0.00 0.00 173.24 172.97 2ipa s ILE 72 N -3.98 0.08 0.20 -1.02 -1.09 -1.26 -4.11 121.20 110.01 2ipa s ILE 72 Ca 0.16 -0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 57.63 2ipa s ILE 72 Cb 0.07 -0.32 -0.08 0.00 -1.58 0.00 0.00 42.46 40.55 2ipa s ILE 72 CO -0.04 -0.36 1.00 -2.16 -1.23 0.00 0.00 174.94 172.16 2ipa s PRO 73 N -1.17 4.73 0.07 2.79 0.04 -1.26 -4.77 135.00 135.43 2ipa s PRO 73 Ca -0.13 1.58 0.07 0.00 0.04 0.00 0.00 61.00 62.56 2ipa s PRO 73 Cb -0.07 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2ipa s PRO 73 CO 0.00 0.31 -0.16 0.99 0.04 0.00 0.00 177.00 178.19 2ipa s THR 74 N -0.71 2.98 -0.09 1.26 2.01 -1.07 -1.40 115.64 118.62 2ipa s THR 74 Ca 0.45 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 61.20 2ipa s THR 74 Cb -0.27 -2.31 0.02 0.00 0.01 0.00 0.00 72.50 69.95 2ipa s THR 74 CO 0.34 0.24 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.21 2ipa s LEU 75 N -1.76 1.29 -0.23 4.42 2.96 0.08 -0.70 118.68 124.74 2ipa s LEU 75 Ca 0.17 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2ipa s LEU 75 Cb -0.11 -0.75 0.05 0.00 0.50 0.00 0.00 46.19 45.88 2ipa s LEU 75 CO 0.08 -0.07 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.17 2ipa s LEU 76 N 1.32 2.90 -0.19 -0.68 1.43 -0.38 -1.13 118.68 121.95 2ipa s LEU 76 Ca -0.03 -1.15 -0.07 0.00 -1.03 0.00 0.00 54.13 51.85 2ipa s LEU 76 Cb -0.14 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 2ipa s LEU 76 CO -0.03 -0.16 0.05 -0.69 0.23 0.00 0.00 176.35 175.75 2ipa s VAL 77 N 1.22 4.60 0.16 -1.59 1.01 0.34 -0.14 120.40 126.01 2ipa s VAL 77 Ca -0.05 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 61.91 2ipa s VAL 77 Cb -0.18 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2ipa s VAL 77 CO -0.07 0.45 -0.15 -0.76 0.00 0.00 0.00 175.10 174.56 2ipa s LEU 78 N 0.55 2.47 -0.08 3.92 1.02 -0.03 -0.71 118.68 125.82 2ipa s LEU 78 Ca 0.02 -0.91 -0.07 0.00 0.02 0.00 0.00 54.13 53.19 2ipa s LEU 78 Cb -0.13 -0.66 0.02 0.00 0.02 0.00 0.00 46.19 45.44 2ipa s LEU 78 CO 0.01 -0.13 0.22 -1.59 0.02 0.00 0.00 176.35 174.88 2ipa s LYS 79 N -3.10 0.25 -0.52 1.70 -2.85 -0.12 -0.93 119.74 114.17 2ipa s LYS 79 Ca 0.16 0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.44 2ipa s LYS 79 Cb -0.03 0.10 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 2ipa s LYS 79 CO 0.05 -0.04 0.00 -3.47 0.10 0.00 0.00 175.35 171.99 2ipa n ASP 80 N 3.06 -2.38 0.00 0.03 2.03 -0.06 -1.92 116.55 117.30 2ipa n ASP 80 Ca -0.14 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.52 2ipa n ASP 80 Cb 0.58 -2.12 0.00 0.00 -0.72 0.00 0.00 41.12 38.86 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 -0.63 0.92 3.11 0.27 0.00 -1.05 -4.71 105.19 103.10 2ipa n GLY 81 Ca -0.07 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.80 0.73 0.26 1.61 -1.05 -0.81 -4.89 118.70 113.75 2ipa s GLU 82 Ca 0.00 -0.77 -0.29 0.00 -0.15 0.00 0.00 54.97 53.76 2ipa s GLU 82 Cb 0.00 -0.66 -0.09 0.00 -0.44 0.00 0.00 34.13 32.94 2ipa s GLU 82 CO 0.00 0.15 1.19 0.08 0.95 0.00 0.00 175.26 177.63 2ipa s VAL 83 N -1.08 3.30 0.00 1.83 1.01 -1.26 -0.94 120.40 123.26 2ipa s VAL 83 Ca -0.03 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2ipa s VAL 83 Cb -0.09 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2ipa s VAL 83 CO 0.01 0.26 0.00 1.33 0.00 0.00 0.00 175.10 176.70 2ipa n VAL 84 N 1.59 0.00 -4.03 2.92 0.24 0.11 -4.91 118.33 114.25 2ipa n VAL 84 Ca 0.01 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.34 62.20 2ipa n VAL 84 Cb 0.44 0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 33.07 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 -0.93 0.57 -0.12 7.34 0.41 -0.85 -5.01 118.70 120.09 2ipa s GLU 85 Ca 0.00 -1.02 -0.15 0.00 -0.41 0.00 0.00 54.97 53.39 2ipa s GLU 85 Cb 0.00 0.20 0.04 0.00 -1.78 0.00 0.00 34.13 32.59 2ipa s GLU 85 CO 0.00 -0.12 0.40 0.99 -0.49 0.00 0.00 175.26 176.05 2ipa s THR 86 N -3.26 0.01 -0.00 3.63 2.01 -1.26 -0.51 115.64 116.26 2ipa s THR 86 Ca 0.01 -0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.70 2ipa s THR 86 Cb 0.03 -0.60 0.05 0.00 0.01 0.00 0.00 72.50 71.99 2ipa s THR 86 CO -0.08 -0.05 0.50 -0.44 -0.69 0.00 0.00 174.62 173.86 2ipa s SER 87 N -0.12 -0.42 -0.42 3.53 0.01 -0.28 -5.00 113.70 111.00 2ipa s SER 87 Ca -0.03 0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.56 2ipa s SER 87 Cb -0.03 0.44 0.14 0.00 0.21 0.00 0.00 66.02 66.78 2ipa s SER 87 CO 0.02 -0.59 0.25 0.54 0.41 0.00 0.00 173.24 173.87 2ipa s VAL 88 N -1.68 0.91 0.00 3.43 0.11 -1.26 -0.74 120.40 121.17 2ipa s VAL 88 Ca -0.10 -2.35 0.00 0.00 -2.93 0.00 0.00 61.98 56.60 2ipa s VAL 88 Cb -0.02 -1.64 0.00 0.00 -1.53 0.00 0.00 36.38 33.19 2ipa s VAL 88 CO 0.04 -0.97 0.00 0.61 -3.33 0.00 0.00 175.10 171.45 2ipa n GLY 89 N 3.57 2.39 3.76 6.54 0.00 -0.50 -4.89 105.19 116.07 2ipa n GLY 89 Ca 0.13 -0.76 -0.36 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 2.54 -0.03 1.61 5.36 -1.26 -4.79 117.98 119.40 2ipa s PHE 90 Ca 0.00 1.53 -0.02 0.00 -0.96 0.00 0.00 56.93 57.48 2ipa s PHE 90 Cb 0.00 -3.39 0.02 0.00 -0.34 0.00 0.00 43.02 39.31 2ipa s PHE 90 CO 0.00 -1.90 0.08 0.15 -1.46 0.00 0.00 175.22 172.09 2ipa s LYS 91 N -3.29 0.06 1.04 10.12 3.01 -1.26 -5.10 119.74 124.32 2ipa s LYS 91 Ca 0.75 0.18 -0.12 0.00 -1.01 0.00 0.00 55.97 55.76 2ipa s LYS 91 Cb -0.27 -0.07 0.21 0.00 -1.01 0.00 0.00 37.83 36.69 2ipa s LYS 91 CO 0.30 -0.08 1.08 -1.25 0.51 0.00 0.00 175.35 175.91 2ipa s PRO 92 N 0.50 0.12 0.25 -1.68 0.04 -1.26 -4.63 135.00 128.33 2ipa s PRO 92 Ca -0.04 0.61 -0.08 0.00 0.04 0.00 0.00 61.00 61.53 2ipa s PRO 92 Cb -0.05 -1.69 0.42 0.00 0.04 0.00 0.00 34.50 33.21 2ipa s PRO 92 CO -0.02 -2.96 1.62 -0.22 0.04 0.00 0.00 177.00 175.46 2ipa h LYS 93 N -2.06 0.07 -0.24 4.56 1.63 -1.96 0.27 116.57 118.83 2ipa h LYS 93 Ca -0.56 -0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.13 2ipa h LYS 93 Cb 1.33 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.94 2ipa h LYS 93 CO 0.56 0.04 -0.26 0.93 -3.45 0.00 0.00 179.45 177.28 2ipa h GLU 94 N 0.07 0.60 -0.80 1.90 5.08 -1.98 -0.79 114.58 118.66 2ipa h GLU 94 Ca 0.41 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2ipa h GLU 94 Cb 0.71 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2ipa h GLU 94 CO -0.71 0.92 0.37 0.00 -1.00 0.00 0.00 179.01 178.60 2ipa h ALA 95 N 0.67 1.04 0.22 3.43 0.00 -1.71 -0.04 119.26 122.87 2ipa h ALA 95 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2ipa h ALA 95 Cb 0.82 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ipa h ALA 95 CO 0.06 0.61 -0.10 1.25 0.00 0.00 0.00 179.25 181.07 2ipa h LEU 96 N 1.14 -0.25 -0.74 0.00 7.12 -0.81 -0.58 115.31 121.19 2ipa h LEU 96 Ca 0.27 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 58.22 2ipa h LEU 96 Cb 0.14 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.30 2ipa h LEU 96 CO -0.03 -0.17 0.17 0.06 -0.13 0.00 0.00 178.44 178.34 2ipa h GLN 97 N -0.30 1.13 -0.38 1.25 3.07 -0.92 -2.43 115.11 116.53 2ipa h GLN 97 Ca -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 58.65 58.43 2ipa h GLN 97 Cb 0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 27.48 27.62 2ipa h GLN 97 CO 0.05 1.00 0.21 1.49 0.09 0.00 0.00 178.83 181.66 2ipa h GLU 98 N 1.07 0.54 -0.79 0.06 4.81 -0.86 0.17 114.58 119.58 2ipa h GLU 98 Ca 0.22 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2ipa h GLU 98 Cb 0.37 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2ipa h GLU 98 CO 0.00 0.44 0.52 1.25 -0.73 0.00 0.00 179.01 180.49 2ipa h LEU 99 N 0.49 0.84 0.10 1.64 7.12 -0.63 -1.81 115.31 123.06 2ipa h LEU 99 Ca 0.13 -0.01 -0.34 0.00 0.13 0.00 0.00 57.88 57.79 2ipa h LEU 99 Cb 0.06 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 39.98 2ipa h LEU 99 CO -0.02 0.58 -1.86 1.62 -0.13 0.00 0.00 178.44 178.62 2ipa h VAL 100 N 0.97 0.75 -0.50 1.05 3.04 -1.42 -3.39 116.25 116.75 2ipa h VAL 100 Ca 0.32 -2.49 0.06 0.00 -1.01 0.00 0.00 66.70 63.57 2ipa h VAL 100 Cb 0.05 2.53 -0.03 0.00 -2.01 0.00 0.00 31.29 31.83 2ipa h VAL 100 CO -0.09 0.79 0.34 -1.13 -1.01 0.00 0.00 177.57 176.46 2ipa h ASN 101 N 0.06 0.40 0.35 3.17 -1.24 -0.07 0.76 115.58 119.00 2ipa h ASN 101 Ca -0.37 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.64 2ipa h ASN 101 Cb 2.03 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 41.00 2ipa h ASN 101 CO 0.10 0.27 0.00 2.29 -1.29 0.00 0.00 177.43 178.80 2ipa n LYS 102 N -4.47 0.12 0.00 6.67 2.85 -0.73 -3.21 118.16 119.39 2ipa n LYS 102 Ca 0.07 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.52 2ipa n LYS 102 Cb 0.23 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 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 -1.37 0.00 0.00 5.58 8.25 -0.27 -5.14 115.22 122.27 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 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2ipa n HIS 103 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87