#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 3.27 -0.91 -3.48 -2.24 -1.26 -3.96 114.28 105.71 1sgg n THR 8 Ca 0.00 -1.91 0.03 0.00 -2.27 0.00 0.00 64.05 59.90 1sgg n THR 8 Cb 0.00 -2.03 0.04 0.00 -2.10 0.00 0.00 70.33 66.24 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 2.41 1.23 -4.83 3.42 7.64 -1.26 -5.05 113.62 117.18 1sgg n SER 9 Ca 0.49 -2.05 -0.35 0.00 1.01 0.00 0.00 58.87 57.97 1sgg n SER 9 Cb 0.76 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 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 -1.06 3.45 -0.01 1.43 0.08 -1.25 -5.00 117.98 115.60 1sgg s PHE 10 Ca 0.08 0.36 0.09 0.00 0.12 0.00 0.00 56.93 57.58 1sgg s PHE 10 Cb 0.07 -1.84 -0.23 0.00 -0.57 0.00 0.00 43.02 40.45 1sgg s PHE 10 CO 0.01 0.63 0.77 -0.91 -0.10 0.00 0.00 175.22 175.62 1sgg h ASN 11 N 4.50 0.07 -5.04 1.36 2.35 -1.97 -3.49 115.58 113.37 1sgg h ASN 11 Ca -0.51 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.14 1sgg h ASN 11 Cb 1.20 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.53 1sgg h ASN 11 CO 0.61 1.11 0.28 0.42 -1.65 0.00 0.00 177.43 178.21 1sgg s THR 12 N -2.62 0.00 0.58 2.81 -4.23 -1.26 -4.99 115.64 105.93 1sgg s THR 12 Ca -0.05 -0.96 0.29 0.00 -1.18 0.00 0.00 61.69 59.78 1sgg s THR 12 Cb 0.08 -2.49 0.40 0.00 1.34 0.00 0.00 72.50 71.83 1sgg s THR 12 CO 0.82 0.00 1.84 0.58 -0.54 0.00 0.00 174.62 177.33 1sgg h VAL 13 N 2.00 0.35 -0.69 2.29 2.07 -1.86 0.23 116.25 120.64 1sgg h VAL 13 Ca -0.26 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1sgg h VAL 13 Cb 1.25 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1sgg h VAL 13 CO 0.33 0.00 0.32 -0.78 0.02 0.00 0.00 177.57 177.46 1sgg h ASP 14 N 0.00 0.91 1.44 0.57 1.82 -1.94 0.29 116.42 119.51 1sgg h ASP 14 Ca 0.27 -0.14 -0.07 0.00 -0.39 0.00 0.00 57.03 56.70 1sgg h ASP 14 Cb 1.42 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 41.18 1sgg h ASP 14 CO -0.00 0.80 -0.33 -0.33 -1.61 0.00 0.00 179.24 177.76 1sgg h GLU 15 N 0.96 0.00 0.00 0.28 4.39 -0.95 -2.95 114.58 116.31 1sgg h GLU 15 Ca 0.24 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 1sgg h GLU 15 Cb 0.14 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1sgg h GLU 15 CO -0.03 0.33 -0.13 2.35 -1.16 0.00 0.00 179.01 180.37 1sgg h TRP 16 N 0.00 0.00 -0.04 4.33 7.01 -0.87 -3.30 115.95 123.08 1sgg h TRP 16 Ca -0.00 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.01 1sgg h TRP 16 Cb 1.14 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.20 1sgg h TRP 16 CO 0.00 0.53 0.10 -0.07 -2.79 0.00 0.00 178.44 176.20 1sgg h LEU 17 N -1.00 0.00 -0.88 0.65 3.38 -0.56 -0.87 115.31 116.02 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 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1sgg h LEU 17 CO -0.02 0.00 -0.05 -0.78 0.09 0.00 0.00 178.44 177.68 1sgg h ASP 18 N 0.00 0.75 0.42 -0.43 3.58 -1.59 -1.92 116.42 117.22 1sgg h ASP 18 Ca 0.02 -0.20 -0.06 0.00 0.42 0.00 0.00 57.03 57.22 1sgg h ASP 18 Cb 0.22 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1sgg h ASP 18 CO -0.00 0.85 -0.26 0.00 -2.88 0.00 0.00 179.24 176.94 1sgg h ALA 19 N 1.23 1.34 -0.56 -0.78 0.00 -1.24 -2.38 119.26 116.87 1sgg h ALA 19 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sgg h ALA 19 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1sgg h ALA 19 CO 0.03 0.33 0.00 0.44 0.00 0.00 0.00 179.25 180.05 1sgg n ILE 20 N -3.90 2.73 -3.09 0.00 -5.35 -0.91 -4.98 119.36 103.85 1sgg n ILE 20 Ca -0.02 -1.44 -0.16 0.00 -0.27 0.00 0.00 62.75 60.86 1sgg n ILE 20 Cb 0.35 -0.27 0.02 0.00 -1.74 0.00 0.00 39.64 37.99 1sgg n ILE 20 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1sgg n LYS 21 N 0.56 -2.12 -3.28 6.28 5.02 -0.90 -4.95 118.16 118.78 1sgg n LYS 21 Ca 0.27 1.81 -0.25 0.00 -2.02 0.00 0.00 58.31 58.12 1sgg n LYS 21 Cb 1.18 -4.57 -0.07 0.00 -0.02 0.00 0.00 35.03 31.55 1sgg n LYS 21 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1sgg n MET 22 N -0.54 1.69 0.42 1.97 2.81 -0.77 -4.96 117.12 117.74 1sgg n MET 22 Ca 0.03 -3.98 -0.17 0.00 -1.81 0.00 0.00 57.70 51.77 1sgg n MET 22 Cb 0.54 -1.77 -0.08 0.00 -0.71 0.00 0.00 33.22 31.20 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 3.96 -0.92 -0.54 7.83 0.87 -1.93 -3.16 113.55 119.67 1sgg h SER 23 Ca 0.13 0.03 -0.33 0.00 -1.23 0.00 0.00 61.79 60.39 1sgg h SER 23 Cb 0.76 0.24 -0.12 0.00 -0.44 0.00 0.00 62.40 62.84 1sgg h SER 23 CO 0.65 -0.56 0.11 0.00 -0.53 0.00 0.00 176.83 176.50 1sgg n GLN 24 N -5.50 2.06 -0.09 2.24 10.64 -1.26 -3.89 117.38 121.57 1sgg n GLN 24 Ca -0.14 -1.58 0.01 0.00 -1.83 0.00 0.00 57.00 53.46 1sgg n GLN 24 Cb 0.43 -1.92 0.01 0.00 -0.86 0.00 0.00 30.24 27.90 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 1.38 0.00 0.00 2.61 4.01 -1.19 -4.79 117.16 119.17 1sgg n TYR 25 Ca 0.40 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.99 1sgg n TYR 25 Cb 0.67 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 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 -0.17 0.00 0.04 -0.72 4.01 -1.25 -2.76 118.16 117.30 1sgg n LYS 26 Ca 0.01 0.00 0.21 0.00 -0.51 0.00 0.00 58.31 58.02 1sgg n LYS 26 Cb 0.50 -0.44 0.73 0.00 -0.51 0.00 0.00 35.03 35.32 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 0.00 -0.59 1.97 4.81 -1.92 0.82 114.58 119.67 1sgg h GLU 27 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1sgg h GLU 27 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1sgg h GLU 27 CO 0.00 0.00 0.05 0.77 -0.73 0.00 0.00 179.01 179.10 1sgg h SER 28 N 0.00 0.95 1.66 1.04 0.02 -1.84 -2.57 113.55 112.81 1sgg h SER 28 Ca 0.24 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1sgg h SER 28 Cb 1.13 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1sgg h SER 28 CO -0.00 0.98 -0.23 -0.26 -1.14 0.00 0.00 176.83 176.18 1sgg h PHE 29 N 0.92 0.00 0.00 3.45 -1.00 -0.67 -3.14 116.94 116.50 1sgg h PHE 29 Ca 0.18 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.92 1sgg h PHE 29 Cb 0.47 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 1sgg h PHE 29 CO 0.03 0.23 -0.18 0.00 -1.61 0.00 0.00 178.31 176.78 1sgg h ALA 30 N 1.77 1.05 0.00 2.45 0.00 -1.01 0.25 119.26 123.78 1sgg h ALA 30 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sgg h ALA 30 Cb 1.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1sgg h ALA 30 CO 0.03 0.23 -0.00 0.66 0.00 0.00 0.00 179.25 180.17 1sgg h SER 31 N 0.00 -0.00 0.07 0.00 4.64 -1.47 -3.28 113.55 113.50 1sgg h SER 31 Ca -0.00 -0.95 -0.01 0.00 -0.47 0.00 0.00 61.79 60.36 1sgg h SER 31 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1sgg h SER 31 CO 0.02 0.95 -0.04 0.00 -0.87 0.00 0.00 176.83 176.89 1sgg h ALA 32 N 0.04 1.72 0.00 5.18 0.00 -1.62 -3.45 119.26 121.13 1sgg h ALA 32 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sgg h ALA 32 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1sgg h ALA 32 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1sgg n GLY 33 N -1.29 1.62 2.57 0.00 0.00 -1.00 -5.03 105.19 102.07 1sgg n GLY 33 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.41 2.40 -0.08 1.61 3.72 0.85 -4.25 117.46 121.29 1sgg n PHE 34 Ca 0.00 -2.45 -0.08 0.00 -0.05 0.00 0.00 57.45 54.88 1sgg n PHE 34 Cb 0.00 -1.49 -0.03 0.00 -0.94 0.00 0.00 39.48 37.02 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 0.81 1.47 -1.52 4.37 -2.24 -1.26 -4.53 114.28 111.38 1sgg n THR 35 Ca 0.54 0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 62.30 1sgg n THR 35 Cb 0.33 -2.36 0.13 0.00 -2.10 0.00 0.00 70.33 66.33 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 -4.52 0.00 -1.11 4.28 -2.24 -1.26 -3.59 114.28 105.85 1sgg n THR 36 Ca -0.12 -0.59 -0.23 0.00 -2.27 0.00 0.00 64.05 60.84 1sgg n THR 36 Cb 0.43 -1.65 0.04 0.00 -2.10 0.00 0.00 70.33 67.04 1sgg n THR 36 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1sgg n PHE 37 N -3.21 1.99 0.00 4.78 3.72 -1.26 -4.36 117.46 119.12 1sgg n PHE 37 Ca 0.10 -2.23 0.00 0.00 -0.05 0.00 0.00 57.45 55.28 1sgg n PHE 37 Cb 0.36 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.76 1sgg n PHE 37 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1sgg n ASP 38 N 0.09 0.00 -0.35 4.37 8.00 -1.26 -4.83 116.55 122.57 1sgg n ASP 38 Ca 0.41 0.00 0.37 0.00 0.71 0.00 0.00 54.79 56.28 1sgg n ASP 38 Cb 0.58 0.00 0.68 0.00 -0.02 0.00 0.00 41.12 42.36 1sgg n ASP 38 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1sgg h ILE 39 N 0.00 0.16 0.00 0.53 2.04 -1.79 1.01 117.51 119.45 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 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1sgg h ILE 39 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 178.15 178.73 1sgg h VAL 40 N 0.00 0.00 -0.68 1.67 2.07 -1.76 -2.44 116.25 115.11 1sgg h VAL 40 Ca 0.61 -0.13 -0.43 0.00 0.82 0.00 0.00 66.70 67.57 1sgg h VAL 40 Cb 2.77 0.84 -0.20 0.00 -1.52 0.00 0.00 31.29 33.18 1sgg h VAL 40 CO -0.01 0.00 0.56 -1.20 0.02 0.00 0.00 177.57 176.94 1sgg n SER 41 N -2.52 5.93 -2.69 0.57 7.64 0.35 -4.23 113.62 118.67 1sgg n SER 41 Ca -0.01 -3.28 -0.06 0.00 1.01 0.00 0.00 58.87 56.54 1sgg n SER 41 Cb 0.13 -0.94 0.11 0.00 -1.01 0.00 0.00 64.21 62.50 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 -0.30 1.24 -3.76 1.43 7.27 -0.92 -4.83 117.38 117.52 1sgg n GLN 42 Ca 0.42 -1.98 -0.12 0.00 0.07 0.00 0.00 57.00 55.39 1sgg n GLN 42 Cb 0.82 -0.19 -0.12 0.00 2.41 0.00 0.00 30.24 33.16 1sgg n GLN 42 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sgg s MET 43 N -0.43 0.27 0.00 3.69 0.23 -1.26 -5.08 119.30 116.72 1sgg s MET 43 Ca 0.21 0.44 0.00 0.00 -1.03 0.00 0.00 55.69 55.31 1sgg s MET 43 Cb 0.41 0.04 0.00 0.00 -1.53 0.00 0.00 34.83 33.75 1sgg s MET 43 CO -0.08 -0.09 0.00 0.25 -2.03 0.00 0.00 175.02 173.07 1sgg n THR 44 N 3.48 0.00 -0.31 3.16 -2.24 -1.26 -4.91 114.28 112.19 1sgg n THR 44 Ca -0.18 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1sgg n THR 44 Cb 0.56 -0.51 0.33 0.00 -2.10 0.00 0.00 70.33 68.62 1sgg n THR 44 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1sgg h VAL 45 N 0.20 0.82 -0.79 2.28 2.07 -1.98 -0.68 116.25 118.17 1sgg h VAL 45 Ca 0.00 -0.27 0.13 0.00 0.82 0.00 0.00 66.70 67.38 1sgg h VAL 45 Cb 0.00 -0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 29.66 1sgg h VAL 45 CO 0.00 0.14 0.39 -0.08 0.02 0.00 0.00 177.57 178.04 1sgg h GLU 46 N 0.78 0.58 -0.13 1.57 4.57 -1.99 -0.64 114.58 119.32 1sgg h GLU 46 Ca 0.49 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.59 1sgg h GLU 46 Cb 0.72 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1sgg h GLU 46 CO -0.26 0.38 -0.08 -0.44 -1.18 0.00 0.00 179.01 177.43 1sgg h ASP 47 N 0.60 0.31 -0.04 1.04 3.32 -1.48 -2.77 116.42 117.39 1sgg h ASP 47 Ca 0.41 -0.43 0.03 0.00 0.02 0.00 0.00 57.03 57.07 1sgg h ASP 47 Cb 0.54 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 1sgg h ASP 47 CO -0.33 0.67 -0.22 0.40 -1.72 0.00 0.00 179.24 178.04 1sgg h ILE 48 N -0.06 0.48 -0.04 0.35 2.04 -0.99 0.30 117.51 119.58 1sgg h ILE 48 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1sgg h ILE 48 Cb 0.57 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1sgg h ILE 48 CO 0.02 0.00 0.10 0.25 0.00 0.00 0.00 178.15 178.53 1sgg h LEU 49 N -0.32 0.00 0.10 1.44 6.46 -1.17 -2.05 115.31 119.77 1sgg h LEU 49 Ca 0.07 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.56 1sgg h LEU 49 Cb 0.43 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1sgg h LEU 49 CO -0.23 0.00 -1.39 -0.09 -0.62 0.00 0.00 178.44 176.11 1sgg h ARG 50 N 0.00 0.21 -0.07 1.25 2.43 -0.49 -3.32 114.38 114.40 1sgg h ARG 50 Ca 0.02 -0.37 0.02 0.00 -0.81 0.00 0.00 59.98 58.84 1sgg h ARG 50 Cb 0.23 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1sgg h ARG 50 CO -0.00 1.18 0.25 0.28 -1.51 0.00 0.00 179.97 180.17 1sgg h VAL 51 N -0.37 0.11 0.00 0.20 2.07 0.10 -3.44 116.25 114.92 1sgg h VAL 51 Ca -0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1sgg h VAL 51 Cb 1.71 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1sgg h VAL 51 CO 0.03 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.23 1sgg n GLY 52 N -1.24 1.83 2.11 2.17 0.00 -1.11 -4.70 105.19 104.26 1sgg n GLY 52 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.41 3.02 0.25 1.61 0.31 -0.83 -4.57 118.33 117.71 1sgg n VAL 53 Ca 0.00 -2.17 0.18 0.00 -0.01 0.00 0.00 64.34 62.34 1sgg n VAL 53 Cb 0.00 -1.39 0.89 0.00 -0.91 0.00 0.00 33.84 32.43 1sgg n VAL 53 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1sgg h THR 54 N 1.29 0.32 -2.30 2.52 1.35 -1.83 -3.39 112.91 110.87 1sgg h THR 54 Ca 0.35 0.00 -0.57 0.00 -0.55 0.00 0.00 66.41 65.64 1sgg h THR 54 Cb 0.84 0.84 0.04 0.00 -1.73 0.00 0.00 68.15 68.14 1sgg h THR 54 CO 0.87 0.00 1.00 -0.11 -0.25 0.00 0.00 175.52 177.03 1sgg n LEU 55 N -3.54 3.56 -4.68 3.87 0.00 -1.26 -4.94 117.00 110.00 1sgg n LEU 55 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 56.01 56.73 1sgg n LEU 55 Cb 0.29 -1.46 0.15 0.00 0.00 0.00 0.00 43.42 42.40 1sgg n LEU 55 CO 0.24 -0.04 0.66 0.00 0.00 0.00 0.00 177.39 178.24 1sgg s ALA 56 N 2.43 1.38 0.00 1.96 0.00 -1.26 -2.70 121.76 123.57 1sgg s ALA 56 Ca 0.84 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1sgg s ALA 56 Cb -0.61 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1sgg s ALA 56 CO 0.41 -2.55 0.00 0.41 0.00 0.00 0.00 175.76 174.03 1sgg n GLY 57 N -0.55 0.91 0.37 0.00 0.00 -1.26 -4.29 105.19 100.38 1sgg n GLY 57 Ca 0.08 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.78 -0.65 1.61 -0.00 -1.93 0.42 115.15 115.39 1sgg h HIS 58 Ca 0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.31 1sgg h HIS 58 Cb 0.00 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.14 1sgg h HIS 58 CO 0.00 0.28 0.08 -0.56 -0.00 0.00 0.00 177.93 177.73 1sgg h GLN 59 N 0.65 1.09 0.00 2.45 3.07 -1.69 -2.57 115.11 118.11 1sgg h GLN 59 Ca 0.45 -0.31 -0.05 0.00 0.09 0.00 0.00 58.65 58.83 1sgg h GLN 59 Cb 0.78 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 28.21 1sgg h GLN 59 CO -0.21 1.02 -0.26 -0.22 0.09 0.00 0.00 178.83 179.26 1sgg h LYS 60 N 1.01 0.00 0.41 0.06 3.64 -1.27 -3.18 116.57 117.25 1sgg h LYS 60 Ca 0.19 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1sgg h LYS 60 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1sgg h LYS 60 CO 0.02 0.26 -0.20 -0.22 -2.27 0.00 0.00 179.45 177.04 1sgg h LYS 61 N 0.00 -0.53 0.00 1.90 3.11 0.13 -2.58 116.57 118.60 1sgg h LYS 61 Ca -0.00 0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 1sgg h LYS 61 Cb 1.14 0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 32.49 1sgg h LYS 61 CO 0.03 -0.26 -0.04 0.82 -2.81 0.00 0.00 179.45 177.19 1sgg h ILE 62 N -0.74 0.21 -0.52 2.00 2.04 -1.60 -2.97 117.51 115.93 1sgg h ILE 62 Ca -0.06 -0.30 0.10 0.00 1.00 0.00 0.00 64.86 65.61 1sgg h ILE 62 Cb 0.52 1.24 -0.10 0.00 -0.74 0.00 0.00 36.82 37.74 1sgg h ILE 62 CO 0.09 0.04 -0.16 0.25 0.00 0.00 0.00 178.15 178.37 1sgg h LEU 63 N 0.00 -0.57 -0.28 1.44 7.12 -1.43 0.23 115.31 121.82 1sgg h LEU 63 Ca -0.00 0.16 -0.02 0.00 0.13 0.00 0.00 57.88 58.15 1sgg h LEU 63 Cb 0.24 0.35 -0.00 0.00 -0.53 0.00 0.00 40.66 40.72 1sgg h LEU 63 CO 0.00 -0.20 -0.11 -1.13 -0.13 0.00 0.00 178.44 176.88 1sgg h ASN 64 N -0.03 0.00 -0.09 1.25 -1.24 -1.61 -3.28 115.58 110.58 1sgg h ASN 64 Ca 0.25 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.20 1sgg h ASN 64 Cb 0.41 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.46 1sgg h ASN 64 CO -0.55 0.11 -0.19 0.28 -1.29 0.00 0.00 177.43 175.79 1sgg h SER 65 N 0.00 0.31 -0.39 1.15 0.02 -0.68 -2.97 113.55 111.01 1sgg h SER 65 Ca -0.00 -0.57 0.11 0.00 -0.84 0.00 0.00 61.79 60.49 1sgg h SER 65 Cb 0.98 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 1sgg h SER 65 CO 0.01 0.82 0.53 0.40 -1.14 0.00 0.00 176.83 177.46 1sgg h ILE 66 N -0.18 0.24 0.00 3.27 2.04 -0.80 0.72 117.51 122.80 1sgg h ILE 66 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1sgg h ILE 66 Cb 0.78 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1sgg h ILE 66 CO 0.04 0.00 0.00 1.56 0.00 0.00 0.00 178.15 179.75 1sgg h GLN 67 N 0.00 0.00 -0.05 2.37 4.20 -1.65 -3.13 115.11 116.85 1sgg h GLN 67 Ca 0.18 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.91 1sgg h GLN 67 Cb 1.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 1sgg h GLN 67 CO -0.00 0.00 0.21 -0.39 -0.67 0.00 0.00 178.83 177.98 1sgg h VAL 68 N 0.00 0.09 0.00 -0.54 -1.51 0.38 -0.15 116.25 114.52 1sgg h VAL 68 Ca 0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.31 1sgg h VAL 68 Cb 0.78 0.80 -0.02 0.00 -2.13 0.00 0.00 31.29 30.72 1sgg h VAL 68 CO 0.00 0.00 -1.03 0.23 -1.23 0.00 0.00 177.57 175.54 1sgg n MET 69 N -3.13 0.53 0.33 5.19 2.81 -1.18 -4.06 117.12 117.60 1sgg n MET 69 Ca -0.01 0.56 0.22 0.00 -1.81 0.00 0.00 57.70 56.65 1sgg n MET 69 Cb 0.29 -1.72 1.17 0.00 -0.71 0.00 0.00 33.22 32.24 1sgg n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sgg h ARG 70 N -1.00 0.00 0.32 0.03 3.08 -1.59 -0.34 114.38 114.87 1sgg h ARG 70 Ca -0.24 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 1sgg h ARG 70 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1sgg h ARG 70 CO -0.14 0.00 -0.15 0.00 -1.07 0.00 0.00 179.97 178.60 1sgg h ALA 71 N 2.00 -0.43 0.00 0.04 0.00 -1.18 -3.23 119.26 116.47 1sgg h ALA 71 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1sgg h ALA 71 Cb 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sgg h ALA 71 CO 0.00 -0.56 -0.40 -0.56 0.00 0.00 0.00 179.25 177.73 1sgg h GLN 72 N -0.79 0.00 0.00 0.00 -0.00 -1.63 -3.52 115.11 109.17 1sgg h GLN 72 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1sgg h GLN 72 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.99 1sgg h GLN 72 CO 0.07 0.38 0.00 -1.33 -0.00 0.00 0.00 178.83 177.95