#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgg n THR 8 N 0.00 3.43 -1.01 -3.48 -2.24 -1.26 -3.92 114.28 105.80 1sgg n THR 8 Ca 0.00 -1.86 0.02 0.00 -2.27 0.00 0.00 64.05 59.94 1sgg n THR 8 Cb 0.00 -2.22 0.03 0.00 -2.10 0.00 0.00 70.33 66.04 1sgg n THR 8 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sgg n SER 9 N 2.91 0.99 -4.88 3.42 7.64 -1.26 -5.06 113.62 117.38 1sgg n SER 9 Ca 0.55 -1.93 -0.31 0.00 1.01 0.00 0.00 58.87 58.19 1sgg n SER 9 Cb 0.65 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 1sgg n SER 9 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1sgg s PHE 10 N -0.85 3.43 -0.13 1.43 0.08 -1.25 -5.01 117.98 115.68 1sgg s PHE 10 Ca 0.07 0.22 0.12 0.00 0.12 0.00 0.00 56.93 57.46 1sgg s PHE 10 Cb 0.06 -1.73 -0.24 0.00 -0.57 0.00 0.00 43.02 40.54 1sgg s PHE 10 CO 0.01 0.58 0.34 0.09 -0.10 0.00 0.00 175.22 176.14 1sgg n ASN 11 N 0.46 0.72 -3.29 1.36 4.13 -1.26 -5.01 115.26 112.37 1sgg n ASN 11 Ca -0.07 0.20 -0.08 0.00 1.68 0.00 0.00 54.58 56.30 1sgg n ASN 11 Cb 0.51 0.26 0.01 0.00 -1.54 0.00 0.00 39.78 39.02 1sgg n ASN 11 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1sgg s THR 12 N -2.55 0.00 0.59 3.41 -4.23 -1.26 -4.98 115.64 106.62 1sgg s THR 12 Ca -0.10 -1.01 0.29 0.00 -1.18 0.00 0.00 61.69 59.68 1sgg s THR 12 Cb 0.07 -2.55 0.39 0.00 1.34 0.00 0.00 72.50 71.76 1sgg s THR 12 CO 0.81 0.00 1.84 0.58 -0.54 0.00 0.00 174.62 177.31 1sgg h VAL 13 N 2.00 0.34 -0.60 2.29 2.07 -1.81 0.21 116.25 120.75 1sgg h VAL 13 Ca -0.27 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1sgg h VAL 13 Cb 1.25 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1sgg h VAL 13 CO 0.34 0.00 0.16 -0.78 0.02 0.00 0.00 177.57 177.31 1sgg h ASP 14 N 0.00 0.91 1.29 0.57 3.58 -1.91 0.20 116.42 121.06 1sgg h ASP 14 Ca 0.26 -0.23 -0.08 0.00 0.42 0.00 0.00 57.03 57.40 1sgg h ASP 14 Cb 1.39 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 1sgg h ASP 14 CO -0.00 0.90 -0.39 -0.33 -2.88 0.00 0.00 179.24 176.53 1sgg h GLU 15 N 0.87 0.00 0.00 0.28 4.39 -1.00 -3.06 114.58 116.06 1sgg h GLU 15 Ca 0.19 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1sgg h GLU 15 Cb 0.34 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1sgg h GLU 15 CO -0.00 0.39 -0.15 2.35 -1.16 0.00 0.00 179.01 180.44 1sgg h TRP 16 N 0.00 0.00 -0.07 4.33 7.01 -1.03 -3.30 115.95 122.89 1sgg h TRP 16 Ca -0.00 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.02 1sgg h TRP 16 Cb 1.15 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.20 1sgg h TRP 16 CO 0.00 0.56 0.24 -0.07 -2.79 0.00 0.00 178.44 176.37 1sgg h LEU 17 N -1.00 0.00 -0.99 0.65 3.38 -0.73 0.23 115.31 116.85 1sgg h LEU 17 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1sgg h LEU 17 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1sgg h LEU 17 CO -0.02 0.00 -0.13 -0.78 0.09 0.00 0.00 178.44 177.60 1sgg h ASP 18 N 0.00 0.57 0.50 -0.43 3.58 -1.61 -2.15 116.42 116.89 1sgg h ASP 18 Ca 0.04 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.26 1sgg h ASP 18 Cb 0.51 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1sgg h ASP 18 CO -0.00 0.73 -0.31 0.00 -2.88 0.00 0.00 179.24 176.78 1sgg h ALA 19 N 1.33 1.25 -0.59 -0.78 0.00 -1.06 -2.54 119.26 116.87 1sgg h ALA 19 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1sgg h ALA 19 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sgg h ALA 19 CO 0.03 0.39 0.00 0.44 0.00 0.00 0.00 179.25 180.11 1sgg n ILE 20 N -3.83 2.64 -3.09 0.00 -5.35 -0.93 -4.98 119.36 103.83 1sgg n ILE 20 Ca -0.01 -1.37 -0.14 0.00 -0.27 0.00 0.00 62.75 60.96 1sgg n ILE 20 Cb 0.39 -0.23 0.01 0.00 -1.74 0.00 0.00 39.64 38.08 1sgg n ILE 20 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1sgg n LYS 21 N 0.70 -2.03 -3.27 6.28 4.81 -0.96 -4.93 118.16 118.77 1sgg n LYS 21 Ca 0.27 1.77 -0.25 0.00 -0.87 0.00 0.00 58.31 59.23 1sgg n LYS 21 Cb 1.16 -4.75 -0.07 0.00 0.02 0.00 0.00 35.03 31.39 1sgg n LYS 21 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1sgg n MET 22 N -0.74 1.79 0.42 1.64 2.81 -0.85 -4.96 117.12 117.23 1sgg n MET 22 Ca 0.02 -4.04 -0.17 0.00 -1.81 0.00 0.00 57.70 51.70 1sgg n MET 22 Cb 0.53 -1.82 -0.08 0.00 -0.71 0.00 0.00 33.22 31.14 1sgg n MET 22 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1sgg h SER 23 N 3.88 -0.91 -0.48 7.83 0.87 -1.93 -3.14 113.55 119.68 1sgg h SER 23 Ca 0.14 0.02 -0.32 0.00 -1.23 0.00 0.00 61.79 60.40 1sgg h SER 23 Cb 0.75 0.24 -0.12 0.00 -0.44 0.00 0.00 62.40 62.83 1sgg h SER 23 CO 0.67 -0.56 0.01 0.00 -0.53 0.00 0.00 176.83 176.41 1sgg n GLN 24 N -5.50 2.10 -0.38 2.24 10.64 -1.26 -3.88 117.38 121.34 1sgg n GLN 24 Ca -0.14 -1.54 0.00 0.00 -1.83 0.00 0.00 57.00 53.49 1sgg n GLN 24 Cb 0.43 -1.98 0.00 0.00 -0.86 0.00 0.00 30.24 27.83 1sgg n GLN 24 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1sgg n TYR 25 N 1.63 0.00 0.00 2.61 4.01 -1.19 -4.83 117.16 119.40 1sgg n TYR 25 Ca 0.42 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 58.13 1sgg n TYR 25 Cb 0.72 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 1sgg n TYR 25 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1sgg n LYS 26 N -0.05 0.00 -0.20 -0.72 4.01 -1.25 -3.28 118.16 116.67 1sgg n LYS 26 Ca 0.00 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 57.86 1sgg n LYS 26 Cb 0.65 -0.40 0.33 0.00 -0.51 0.00 0.00 35.03 35.10 1sgg n LYS 26 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1sgg h GLU 27 N 0.00 0.79 -0.92 1.97 4.22 -1.93 -1.29 114.58 117.41 1sgg h GLU 27 Ca 0.00 -0.05 0.15 0.00 0.08 0.00 0.00 59.36 59.55 1sgg h GLU 27 Cb 0.00 -0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.00 1sgg h GLU 27 CO 0.00 0.52 0.59 1.03 -2.18 0.00 0.00 179.01 178.97 1sgg h SER 28 N 0.81 0.67 1.43 1.04 0.87 -1.88 0.25 113.55 116.75 1sgg h SER 28 Ca 0.31 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.89 1sgg h SER 28 Cb 0.20 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1sgg h SER 28 CO -0.10 0.32 -0.16 -0.26 -0.53 0.00 0.00 176.83 176.10 1sgg h PHE 29 N 0.70 0.00 0.00 2.24 -1.00 -1.22 -3.10 116.94 114.56 1sgg h PHE 29 Ca 0.47 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 61.16 1sgg h PHE 29 Cb 0.77 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.32 1sgg h PHE 29 CO -0.00 0.16 -0.45 0.00 -1.61 0.00 0.00 178.31 176.40 1sgg h ALA 30 N 1.84 1.24 -0.27 2.45 0.00 -0.34 0.44 119.26 124.63 1sgg h ALA 30 Ca -0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1sgg h ALA 30 Cb 0.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1sgg h ALA 30 CO 0.02 0.56 -0.06 1.03 0.00 0.00 0.00 179.25 180.80 1sgg h SER 31 N 0.00 0.52 0.74 0.00 0.87 -1.43 -2.98 113.55 111.26 1sgg h SER 31 Ca -0.00 -0.36 -0.10 0.00 -1.23 0.00 0.00 61.79 60.09 1sgg h SER 31 Cb 0.80 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1sgg h SER 31 CO 0.06 0.76 -0.48 0.00 -0.53 0.00 0.00 176.83 176.64 1sgg h ALA 32 N 0.77 0.99 0.00 6.23 0.00 -1.65 -3.46 119.26 122.15 1sgg h ALA 32 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1sgg h ALA 32 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1sgg h ALA 32 CO 0.03 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1sgg n GLY 33 N 0.23 1.77 2.64 0.00 0.00 -0.79 -5.02 105.19 104.02 1sgg n GLY 33 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1sgg n GLY 33 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sgg n PHE 34 N -0.48 2.26 -0.07 1.61 3.72 0.15 -3.98 117.46 120.66 1sgg n PHE 34 Ca 0.00 -2.22 -0.07 0.00 -0.05 0.00 0.00 57.45 55.11 1sgg n PHE 34 Cb 0.00 -1.36 -0.02 0.00 -0.94 0.00 0.00 39.48 37.16 1sgg n PHE 34 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1sgg n THR 35 N 0.44 1.15 -1.51 4.37 -2.24 -1.26 -4.58 114.28 110.66 1sgg n THR 35 Ca 0.52 0.22 -0.18 0.00 -2.27 0.00 0.00 64.05 62.34 1sgg n THR 35 Cb 0.39 -2.15 0.13 0.00 -2.10 0.00 0.00 70.33 66.60 1sgg n THR 35 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sgg n THR 36 N -4.00 0.00 -3.17 4.28 -2.24 -1.26 -2.89 114.28 104.99 1sgg n THR 36 Ca -0.11 -0.57 -0.46 0.00 -2.27 0.00 0.00 64.05 60.64 1sgg n THR 36 Cb 0.40 -1.66 -0.02 0.00 -2.10 0.00 0.00 70.33 66.95 1sgg n THR 36 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1sgg s PHE 37 N -2.73 3.50 0.00 4.78 0.08 -1.26 -4.52 117.98 117.83 1sgg s PHE 37 Ca 0.46 -1.73 0.00 0.00 0.12 0.00 0.00 56.93 55.77 1sgg s PHE 37 Cb -0.01 -4.00 0.00 0.00 -0.57 0.00 0.00 43.02 38.43 1sgg s PHE 37 CO 0.32 -1.19 0.00 -0.40 -0.10 0.00 0.00 175.22 173.85 1sgg n ASP 38 N 5.03 0.00 0.02 1.36 5.68 -1.26 -4.95 116.55 122.43 1sgg n ASP 38 Ca 0.17 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.32 1sgg n ASP 38 Cb 0.48 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.37 1sgg n ASP 38 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1sgg h ILE 39 N 0.00 0.05 -0.01 2.12 2.04 -1.79 0.50 117.51 120.42 1sgg h ILE 39 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1sgg h ILE 39 Cb 0.00 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1sgg h ILE 39 CO 0.00 0.00 0.16 1.62 0.00 0.00 0.00 178.15 179.93 1sgg h VAL 40 N -0.59 0.02 -0.71 1.67 3.04 -1.81 -1.93 116.25 115.95 1sgg h VAL 40 Ca 0.04 0.00 -0.40 0.00 -1.01 0.00 0.00 66.70 65.33 1sgg h VAL 40 Cb 0.68 0.84 -0.16 0.00 -2.01 0.00 0.00 31.29 30.64 1sgg h VAL 40 CO -0.40 0.00 0.41 -1.20 -1.01 0.00 0.00 177.57 175.37 1sgg n SER 41 N -3.03 6.49 -2.66 3.17 7.64 0.18 -4.17 113.62 121.23 1sgg n SER 41 Ca -0.02 -3.13 -0.04 0.00 1.01 0.00 0.00 58.87 56.68 1sgg n SER 41 Cb 0.23 -1.13 0.02 0.00 -1.01 0.00 0.00 64.21 62.31 1sgg n SER 41 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1sgg n GLN 42 N 0.55 0.32 -1.91 1.43 -0.06 -0.72 -4.55 117.38 112.44 1sgg n GLN 42 Ca 0.39 -0.86 -0.02 0.00 -2.00 0.00 0.00 57.00 54.51 1sgg n GLN 42 Cb 0.58 -0.04 -0.00 0.00 -4.06 0.00 0.00 30.24 26.71 1sgg n GLN 42 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1sgg n MET 43 N -0.41 0.10 0.00 3.69 0.00 -1.26 -5.05 117.12 114.18 1sgg n MET 43 Ca -0.22 -0.38 0.00 0.00 0.00 0.00 0.00 57.70 57.10 1sgg n MET 43 Cb 0.68 0.37 0.00 0.00 0.00 0.00 0.00 33.22 34.27 1sgg n MET 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1sgg n THR 44 N -0.08 0.00 0.17 3.17 -2.24 -1.26 -5.01 114.28 109.03 1sgg n THR 44 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1sgg n THR 44 Cb 0.08 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.49 1sgg n THR 44 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1sgg h VAL 45 N 0.00 0.82 -0.85 2.28 3.04 -1.96 -3.21 116.25 116.37 1sgg h VAL 45 Ca 0.00 -1.85 0.11 0.00 -1.01 0.00 0.00 66.70 63.94 1sgg h VAL 45 Cb 0.00 2.19 -0.06 0.00 -2.01 0.00 0.00 31.29 31.40 1sgg h VAL 45 CO 0.00 0.41 0.55 -0.33 -1.01 0.00 0.00 177.57 177.20 1sgg h GLU 46 N 0.00 0.76 0.00 4.17 4.39 -1.99 -0.38 114.58 121.53 1sgg h GLU 46 Ca -0.00 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 1sgg h GLU 46 Cb 1.15 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1sgg h GLU 46 CO 0.06 0.50 -0.73 -0.44 -1.16 0.00 0.00 179.01 177.24 1sgg h ASP 47 N 0.78 0.00 -0.23 1.42 3.32 -1.96 -3.14 116.42 116.60 1sgg h ASP 47 Ca 0.40 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 1sgg h ASP 47 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1sgg h ASP 47 CO -0.17 0.73 0.12 0.40 -1.72 0.00 0.00 179.24 178.60 1sgg h ILE 48 N 0.00 1.13 0.00 0.35 2.04 -1.16 -2.01 117.51 117.86 1sgg h ILE 48 Ca -0.01 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1sgg h ILE 48 Cb 1.31 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1sgg h ILE 48 CO 0.09 0.12 -0.14 -0.07 0.00 0.00 0.00 178.15 178.16 1sgg h LEU 49 N 0.26 0.00 0.00 1.44 3.38 -1.52 -1.47 115.31 117.39 1sgg h LEU 49 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1sgg h LEU 49 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1sgg h LEU 49 CO -0.01 0.14 -0.00 -0.09 0.09 0.00 0.00 178.44 178.57 1sgg h ARG 50 N 0.00 -0.00 -0.04 1.13 2.43 -1.34 -3.04 114.38 113.51 1sgg h ARG 50 Ca -0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1sgg h ARG 50 Cb 0.40 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1sgg h ARG 50 CO 0.02 0.61 0.17 0.28 -1.51 0.00 0.00 179.97 179.53 1sgg h VAL 51 N -0.62 0.11 0.00 0.20 2.07 -1.26 -3.44 116.25 113.31 1sgg h VAL 51 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sgg h VAL 51 Cb 0.61 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1sgg h VAL 51 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1sgg n GLY 52 N -1.21 1.87 2.12 2.17 0.00 -1.15 -4.80 105.19 104.20 1sgg n GLY 52 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1sgg n GLY 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sgg n VAL 53 N -0.39 3.03 0.33 1.61 0.31 -0.57 -4.54 118.33 118.10 1sgg n VAL 53 Ca 0.00 -2.20 0.21 0.00 -0.01 0.00 0.00 64.34 62.34 1sgg n VAL 53 Cb 0.00 -1.40 1.12 0.00 -0.91 0.00 0.00 33.84 32.65 1sgg n VAL 53 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1sgg h THR 54 N 1.31 0.12 -1.94 2.52 2.02 -1.82 -3.37 112.91 111.74 1sgg h THR 54 Ca 0.35 -0.05 -0.64 0.00 0.77 0.00 0.00 66.41 66.84 1sgg h THR 54 Cb 0.84 1.04 0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1sgg h THR 54 CO 0.88 0.00 1.00 -0.11 0.37 0.00 0.00 175.52 177.66 1sgg n LEU 55 N -3.24 3.12 -4.64 2.58 0.00 -1.26 -4.91 117.00 108.65 1sgg n LEU 55 Ca -0.03 1.01 -0.31 0.00 0.00 0.00 0.00 56.01 56.69 1sgg n LEU 55 Cb 0.09 -1.32 0.18 0.00 0.00 0.00 0.00 43.42 42.37 1sgg n LEU 55 CO 0.22 -0.20 0.65 0.00 0.00 0.00 0.00 177.39 178.07 1sgg s ALA 56 N 3.46 1.14 0.00 1.96 0.00 -1.26 -2.23 121.76 124.82 1sgg s ALA 56 Ca 0.92 0.50 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1sgg s ALA 56 Cb -0.78 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 18.91 1sgg s ALA 56 CO 0.53 -2.97 0.00 0.41 0.00 0.00 0.00 175.76 173.73 1sgg n GLY 57 N 0.36 0.89 0.37 0.00 0.00 -1.26 -4.28 105.19 101.27 1sgg n GLY 57 Ca 0.11 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.20 1sgg n GLY 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1sgg h HIS 58 N 0.00 1.05 -0.79 1.61 -0.00 -1.91 0.78 115.15 115.89 1sgg h HIS 58 Ca 0.00 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1sgg h HIS 58 Cb 0.00 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.05 1sgg h HIS 58 CO 0.00 0.39 0.32 -0.56 -0.00 0.00 0.00 177.93 178.08 1sgg h GLN 59 N 0.89 1.18 0.00 2.45 3.07 -1.62 -2.32 115.11 118.76 1sgg h GLN 59 Ca 0.49 -0.21 -0.09 0.00 0.09 0.00 0.00 58.65 58.93 1sgg h GLN 59 Cb 0.60 -0.19 -0.01 0.00 0.08 0.00 0.00 27.48 27.95 1sgg h GLN 59 CO -0.26 0.95 -0.45 -0.22 0.09 0.00 0.00 178.83 178.94 1sgg h LYS 60 N 1.15 0.00 0.44 0.06 3.64 -1.28 -3.20 116.57 117.37 1sgg h LYS 60 Ca 0.26 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1sgg h LYS 60 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1sgg h LYS 60 CO -0.02 0.40 -0.21 -0.22 -2.27 0.00 0.00 179.45 177.13 1sgg h LYS 61 N 0.00 -0.56 0.00 1.90 3.11 0.10 -2.43 116.57 118.69 1sgg h LYS 61 Ca -0.01 0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.85 1sgg h LYS 61 Cb 1.32 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.68 1sgg h LYS 61 CO 0.05 -0.32 -0.08 0.82 -2.81 0.00 0.00 179.45 177.11 1sgg h ILE 62 N -0.69 0.45 -0.62 2.00 2.04 -1.59 -2.80 117.51 116.31 1sgg h ILE 62 Ca -0.06 -0.39 0.12 0.00 1.00 0.00 0.00 64.86 65.53 1sgg h ILE 62 Cb 0.50 1.27 -0.09 0.00 -0.74 0.00 0.00 36.82 37.76 1sgg h ILE 62 CO 0.10 0.08 0.14 0.25 0.00 0.00 0.00 178.15 178.72 1sgg h LEU 63 N 0.00 0.02 -0.77 1.44 5.85 -1.43 0.26 115.31 120.68 1sgg h LEU 63 Ca -0.00 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1sgg h LEU 63 Cb 0.26 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1sgg h LEU 63 CO 0.01 0.01 -0.23 -1.13 -0.34 0.00 0.00 178.44 176.76 1sgg h ASN 64 N 0.27 0.00 -0.18 1.25 -0.00 -1.53 -3.16 115.58 112.24 1sgg h ASN 64 Ca 0.33 0.00 -0.20 0.00 -0.00 0.00 0.00 56.30 56.43 1sgg h ASN 64 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.82 1sgg h ASN 64 CO -0.41 0.23 -0.67 0.28 -0.00 0.00 0.00 177.43 176.87 1sgg h SER 65 N 0.00 0.89 -0.24 1.15 0.02 -0.61 -2.95 113.55 111.82 1sgg h SER 65 Ca -0.00 -0.61 0.07 0.00 -0.84 0.00 0.00 61.79 60.41 1sgg h SER 65 Cb 0.89 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1sgg h SER 65 CO 0.03 1.35 0.39 0.40 -1.14 0.00 0.00 176.83 177.86 1sgg h ILE 66 N 0.49 0.23 0.00 3.27 1.08 -0.88 0.49 117.51 122.19 1sgg h ILE 66 Ca -0.03 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.38 1sgg h ILE 66 Cb 1.29 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.69 1sgg h ILE 66 CO 0.14 0.00 -0.39 1.56 -0.69 0.00 0.00 178.15 178.77 1sgg h GLN 67 N 0.00 0.00 -0.15 2.37 4.20 -1.64 -3.25 115.11 116.63 1sgg h GLN 67 Ca 0.11 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.87 1sgg h GLN 67 Cb 0.90 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1sgg h GLN 67 CO -0.00 0.21 0.27 -0.24 -0.67 0.00 0.00 178.83 178.41 1sgg h VAL 68 N 0.00 0.25 0.00 -0.54 3.04 -0.05 0.35 116.25 119.29 1sgg h VAL 68 Ca -0.01 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.56 1sgg h VAL 68 Cb 1.19 0.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.21 1sgg h VAL 68 CO 0.03 0.00 -0.89 0.23 -1.01 0.00 0.00 177.57 175.93 1sgg n MET 69 N -3.41 0.51 0.30 4.17 2.81 -1.23 -4.03 117.12 116.24 1sgg n MET 69 Ca 0.01 0.55 0.17 0.00 -1.81 0.00 0.00 57.70 56.62 1sgg n MET 69 Cb 0.38 -1.72 0.91 0.00 -0.71 0.00 0.00 33.22 32.08 1sgg n MET 69 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1sgg h ARG 70 N -1.00 0.00 0.24 0.03 9.65 -1.60 0.14 114.38 121.84 1sgg h ARG 70 Ca -0.17 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.69 1sgg h ARG 70 Cb 0.90 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.48 1sgg h ARG 70 CO -0.11 0.04 -0.12 0.00 2.80 0.00 0.00 179.97 182.59 1sgg h ALA 71 N 1.96 -0.32 0.00 2.80 0.00 -0.46 -3.13 119.26 120.10 1sgg h ALA 71 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1sgg h ALA 71 Cb 0.22 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sgg h ALA 71 CO 0.01 -0.60 -0.57 -0.56 0.00 0.00 0.00 179.25 177.52 1sgg h GLN 72 N -0.48 0.00 -0.01 0.00 3.07 -1.65 -3.51 115.11 112.53 1sgg h GLN 72 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1sgg h GLN 72 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.92 1sgg h GLN 72 CO 0.05 0.00 0.00 -1.33 0.09 0.00 0.00 178.83 177.64