#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 2.30 -1.19 -3.48 -2.24 -1.26 -4.03 114.28 104.38 1sgg n THR 8 Ca 0.00 -1.16 0.07 0.00 -2.27 0.00 0.00 64.05 60.69 1sgg n THR 8 Cb 0.00 -0.64 0.19 0.00 -2.10 0.00 0.00 70.33 67.78 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 -0.43 2.72 -4.91 3.42 7.64 -1.26 -5.02 113.62 115.78 1sgg n SER 9 Ca 0.35 -3.30 -0.32 0.00 1.01 0.00 0.00 58.87 56.62 1sgg n SER 9 Cb 1.19 -0.51 -0.04 0.00 -1.01 0.00 0.00 64.21 63.84 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 -2.98 3.52 -0.16 1.43 0.40 -1.26 -5.02 117.98 113.93 1sgg s PHE 10 Ca 0.38 0.30 0.02 0.00 -0.60 0.00 0.00 56.93 57.03 1sgg s PHE 10 Cb 0.33 -1.80 -0.23 0.00 0.51 0.00 0.00 43.02 41.84 1sgg s PHE 10 CO 0.03 0.59 0.20 0.09 0.70 0.00 0.00 175.22 176.83 1sgg n ASN 11 N 0.43 1.61 -3.16 1.36 5.03 -1.26 -5.05 115.26 114.22 1sgg n ASN 11 Ca -0.06 0.11 -0.07 0.00 0.87 0.00 0.00 54.58 55.42 1sgg n ASN 11 Cb 0.51 -0.36 0.01 0.00 -1.02 0.00 0.00 39.78 38.93 1sgg n ASN 11 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1sgg s THR 12 N -2.54 0.00 0.59 3.41 -4.23 -1.26 -4.99 115.64 106.62 1sgg s THR 12 Ca -0.22 -0.93 0.29 0.00 -1.18 0.00 0.00 61.69 59.65 1sgg s THR 12 Cb 0.07 -2.71 0.39 0.00 1.34 0.00 0.00 72.50 71.59 1sgg s THR 12 CO 0.74 0.00 1.87 0.58 -0.54 0.00 0.00 174.62 177.26 1sgg h VAL 13 N 2.00 0.35 -0.75 2.29 2.07 -1.89 0.31 116.25 120.63 1sgg h VAL 13 Ca -0.29 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1sgg h VAL 13 Cb 1.24 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1sgg h VAL 13 CO 0.37 0.00 0.30 -0.78 0.02 0.00 0.00 177.57 177.47 1sgg h ASP 14 N 0.00 1.03 0.79 0.57 3.58 -1.94 0.20 116.42 120.65 1sgg h ASP 14 Ca 0.24 -0.16 -0.17 0.00 0.42 0.00 0.00 57.03 57.37 1sgg h ASP 14 Cb 1.29 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 42.05 1sgg h ASP 14 CO -0.00 0.91 -0.79 -0.33 -2.88 0.00 0.00 179.24 176.15 1sgg h GLU 15 N 1.09 0.00 0.09 0.28 4.39 -0.78 -2.46 114.58 117.19 1sgg h GLU 15 Ca 0.25 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 1sgg h GLU 15 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1sgg h GLU 15 CO -0.02 0.79 -0.04 2.35 -1.16 0.00 0.00 179.01 180.93 1sgg h TRP 16 N 0.00 -0.11 -0.03 4.33 7.01 -1.05 -3.13 115.95 122.96 1sgg h TRP 16 Ca -0.01 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1sgg h TRP 16 Cb 1.40 0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 28.49 1sgg h TRP 16 CO 0.00 0.34 0.03 -0.07 -2.79 0.00 0.00 178.44 175.96 1sgg h LEU 17 N -0.95 0.00 -0.95 0.65 3.38 -0.72 -0.52 115.31 116.20 1sgg h LEU 17 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1sgg h LEU 17 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1sgg h LEU 17 CO 0.02 0.00 -0.30 -0.78 0.09 0.00 0.00 178.44 177.47 1sgg h ASP 18 N 0.00 0.41 0.65 -0.43 1.82 -1.46 -1.83 116.42 115.57 1sgg h ASP 18 Ca 0.01 -0.15 -0.06 0.00 -0.39 0.00 0.00 57.03 56.45 1sgg h ASP 18 Cb 0.08 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 1sgg h ASP 18 CO -0.00 0.70 -0.28 0.00 -1.61 0.00 0.00 179.24 178.05 1sgg h ALA 19 N 1.33 1.14 -0.55 -0.78 0.00 -1.03 -2.64 119.26 116.72 1sgg h ALA 19 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sgg h ALA 19 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1sgg h ALA 19 CO 0.05 0.35 0.00 0.44 0.00 0.00 0.00 179.25 180.10 1sgg n ILE 20 N -3.63 2.33 -3.06 0.00 -5.35 -0.94 -4.98 119.36 103.72 1sgg n ILE 20 Ca -0.01 -1.39 -0.10 0.00 -0.27 0.00 0.00 62.75 60.98 1sgg n ILE 20 Cb 0.40 -0.11 0.01 0.00 -1.74 0.00 0.00 39.64 38.20 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 0.64 -1.92 -2.54 6.28 5.02 -0.97 -4.96 118.16 119.71 1sgg n LYS 21 Ca 0.26 1.75 -0.17 0.00 -2.02 0.00 0.00 58.31 58.13 1sgg n LYS 21 Cb 1.03 -5.09 0.02 0.00 -0.02 0.00 0.00 35.03 30.97 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 -0.95 2.38 -0.23 1.97 2.81 -0.73 -4.90 117.12 117.47 1sgg n MET 22 Ca 0.03 -3.88 -0.01 0.00 -1.81 0.00 0.00 57.70 52.03 1sgg n MET 22 Cb 0.51 -1.79 0.11 0.00 -0.71 0.00 0.00 33.22 31.34 1sgg n MET 22 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1sgg h SER 23 N 2.71 0.47 -0.58 7.83 0.02 -1.93 -1.70 113.55 120.37 1sgg h SER 23 Ca 0.11 0.05 -0.37 0.00 -0.84 0.00 0.00 61.79 60.73 1sgg h SER 23 Cb 1.12 -0.04 -0.17 0.00 0.14 0.00 0.00 62.40 63.45 1sgg h SER 23 CO 0.64 0.29 0.48 0.00 -1.14 0.00 0.00 176.83 177.10 1sgg n GLN 24 N -4.84 1.92 -0.31 3.45 10.64 -1.26 -4.01 117.38 122.97 1sgg n GLN 24 Ca 0.09 -1.88 0.04 0.00 -1.83 0.00 0.00 57.00 53.42 1sgg n GLN 24 Cb 0.21 -1.74 0.06 0.00 -0.86 0.00 0.00 30.24 27.92 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 -0.04 0.00 0.00 2.61 4.01 -0.64 -4.80 117.16 118.31 1sgg n TYR 25 Ca 0.36 -0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1sgg n TYR 25 Cb 0.73 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 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 -0.61 0.00 0.29 -0.72 4.01 -1.26 -2.80 118.16 117.07 1sgg n LYS 26 Ca 0.07 0.00 0.18 0.00 -0.51 0.00 0.00 58.31 58.05 1sgg n LYS 26 Cb 0.67 -0.58 0.93 0.00 -0.51 0.00 0.00 35.03 35.54 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 -0.53 1.97 4.57 -1.92 -0.97 114.58 117.69 1sgg h GLU 27 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1sgg h GLU 27 Cb 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1sgg h GLU 27 CO 0.00 0.00 0.08 0.77 -1.18 0.00 0.00 179.01 178.68 1sgg h SER 28 N 0.00 0.85 1.53 1.04 0.02 -1.85 -2.61 113.55 112.53 1sgg h SER 28 Ca 0.03 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 1sgg h SER 28 Cb 0.47 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1sgg h SER 28 CO -0.00 0.90 -0.12 -0.26 -1.14 0.00 0.00 176.83 176.20 1sgg h PHE 29 N 0.77 0.00 0.00 3.45 -1.00 -1.01 -3.11 116.94 116.05 1sgg h PHE 29 Ca 0.16 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.87 1sgg h PHE 29 Cb 0.41 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1sgg h PHE 29 CO 0.03 0.12 -0.36 0.00 -1.61 0.00 0.00 178.31 176.49 1sgg h ALA 30 N 1.88 1.30 -0.00 2.45 0.00 -1.25 0.28 119.26 123.92 1sgg h ALA 30 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1sgg h ALA 30 Cb 0.92 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1sgg h ALA 30 CO 0.02 0.45 -0.00 1.03 0.00 0.00 0.00 179.25 180.74 1sgg h SER 31 N 0.00 0.01 0.09 0.00 0.87 -1.45 -3.23 113.55 109.84 1sgg h SER 31 Ca -0.00 -0.55 -0.12 0.00 -1.23 0.00 0.00 61.79 59.89 1sgg h SER 31 Cb 0.68 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1sgg h SER 31 CO 0.05 0.56 -0.40 0.00 -0.53 0.00 0.00 176.83 176.50 1sgg h ALA 32 N 0.45 0.99 0.00 6.23 0.00 -1.64 -3.47 119.26 121.83 1sgg h ALA 32 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1sgg h ALA 32 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1sgg h ALA 32 CO 0.00 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1sgg n GLY 33 N -0.11 1.77 2.42 0.00 0.00 -0.30 -5.02 105.19 103.96 1sgg n GLY 33 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 2.40 -0.83 1.61 3.72 0.83 -4.08 117.46 120.64 1sgg n PHE 34 Ca 0.00 -2.36 0.08 0.00 -0.05 0.00 0.00 57.45 55.12 1sgg n PHE 34 Cb 0.00 -1.26 0.40 0.00 -0.94 0.00 0.00 39.48 37.68 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 -0.11 2.51 -3.88 4.37 -2.24 -1.26 -4.74 114.28 108.93 1sgg n THR 35 Ca 0.50 -1.35 -0.10 0.00 -2.27 0.00 0.00 64.05 60.83 1sgg n THR 35 Cb 0.51 -0.16 0.01 0.00 -2.10 0.00 0.00 70.33 68.59 1sgg n THR 35 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1sgg s THR 36 N -2.50 0.00 -1.20 4.28 -4.23 -1.26 -4.46 115.64 106.27 1sgg s THR 36 Ca 0.54 -1.15 -0.13 0.00 -1.18 0.00 0.00 61.69 59.78 1sgg s THR 36 Cb 0.39 -2.79 0.19 0.00 1.34 0.00 0.00 72.50 71.63 1sgg s THR 36 CO 0.19 0.00 1.40 0.49 -0.54 0.00 0.00 174.62 176.16 1sgg n PHE 37 N -0.54 4.92 0.00 3.99 3.01 -1.26 -4.31 117.46 123.27 1sgg n PHE 37 Ca -0.06 -3.43 0.00 0.00 1.01 0.00 0.00 57.45 54.97 1sgg n PHE 37 Cb 0.60 -2.09 0.00 0.00 -0.01 0.00 0.00 39.48 37.98 1sgg n PHE 37 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1sgg n ASP 38 N 5.01 0.00 -0.08 4.37 8.00 -1.26 -4.94 116.55 127.65 1sgg n ASP 38 Ca 0.35 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.75 1sgg n ASP 38 Cb 0.42 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 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 0.21 0.00 0.53 2.04 -1.79 0.54 117.51 119.03 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 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1sgg h ILE 39 CO 0.00 0.00 0.04 1.62 0.00 0.00 0.00 178.15 179.81 1sgg h VAL 40 N -0.33 0.00 -0.70 1.67 3.04 -1.75 -2.34 116.25 115.84 1sgg h VAL 40 Ca 0.13 0.00 -0.42 0.00 -1.01 0.00 0.00 66.70 65.40 1sgg h VAL 40 Cb 0.56 0.71 -0.17 0.00 -2.01 0.00 0.00 31.29 30.38 1sgg h VAL 40 CO -0.48 0.00 0.49 -1.54 -1.01 0.00 0.00 177.57 175.03 1sgg n SER 41 N -2.65 6.68 -2.66 3.17 3.41 0.19 -4.11 113.62 117.65 1sgg n SER 41 Ca -0.02 -3.21 -0.04 0.00 -0.26 0.00 0.00 58.87 55.34 1sgg n SER 41 Cb 0.09 -1.08 0.12 0.00 -0.26 0.00 0.00 64.21 63.08 1sgg n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sgg n GLN 42 N 0.26 1.28 -0.56 4.33 6.02 -0.88 -4.69 117.38 123.14 1sgg n GLN 42 Ca 0.39 -1.38 0.00 0.00 -0.01 0.00 0.00 57.00 56.00 1sgg n GLN 42 Cb 0.58 0.26 0.00 0.00 1.02 0.00 0.00 30.24 32.10 1sgg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sgg n MET 43 N -1.21 0.00 0.00 -1.09 0.00 -1.26 -5.10 117.12 108.46 1sgg n MET 43 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.57 1sgg n MET 43 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.08 1sgg n MET 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1sgg n THR 44 N 0.00 0.00 0.17 3.17 5.66 -1.26 -5.01 114.28 117.01 1sgg n THR 44 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 1sgg n THR 44 Cb 0.00 0.00 0.29 0.00 -1.55 0.00 0.00 70.33 69.07 1sgg n THR 44 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 1sgg h VAL 45 N 0.00 1.08 -0.12 1.08 3.04 -1.92 -2.96 116.25 116.45 1sgg h VAL 45 Ca 0.00 -1.69 -0.04 0.00 -1.01 0.00 0.00 66.70 63.97 1sgg h VAL 45 Cb 0.00 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.25 1sgg h VAL 45 CO 0.00 0.44 -0.09 -0.33 -1.01 0.00 0.00 177.57 176.58 1sgg h GLU 46 N 0.00 0.18 0.10 4.17 4.39 -1.98 -2.59 114.58 118.85 1sgg h GLU 46 Ca -0.00 -0.03 -0.27 0.00 0.34 0.00 0.00 59.36 59.40 1sgg h GLU 46 Cb 0.94 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1sgg h GLU 46 CO 0.06 0.29 -1.18 0.22 -1.16 0.00 0.00 179.01 177.24 1sgg h ASP 47 N 0.18 0.49 -0.94 1.42 1.82 -1.91 -3.26 116.42 114.21 1sgg h ASP 47 Ca 0.04 -0.48 0.03 0.00 -0.39 0.00 0.00 57.03 56.22 1sgg h ASP 47 Cb 0.27 -0.16 -0.05 0.00 0.68 0.00 0.00 39.33 40.08 1sgg h ASP 47 CO 0.01 1.35 0.62 0.40 -1.61 0.00 0.00 179.24 180.01 1sgg h ILE 48 N 0.12 1.19 0.00 2.25 2.04 -1.41 -0.40 117.51 121.31 1sgg h ILE 48 Ca -0.13 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1sgg h ILE 48 Cb 1.87 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1sgg h ILE 48 CO 0.20 0.22 -0.04 0.25 0.00 0.00 0.00 178.15 178.78 1sgg h LEU 49 N 1.22 0.00 0.10 1.44 6.46 -1.57 -2.23 115.31 120.73 1sgg h LEU 49 Ca 0.36 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.97 1sgg h LEU 49 Cb -0.04 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.90 1sgg h LEU 49 CO -0.10 0.04 -0.70 -0.09 -0.62 0.00 0.00 178.44 176.97 1sgg h ARG 50 N 0.00 0.20 -0.07 1.25 2.43 -1.14 -3.26 114.38 113.79 1sgg h ARG 50 Ca -0.00 -0.35 0.02 0.00 -0.81 0.00 0.00 59.98 58.84 1sgg h ARG 50 Cb 0.48 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1sgg h ARG 50 CO 0.00 1.17 0.25 0.28 -1.51 0.00 0.00 179.97 180.16 1sgg h VAL 51 N -0.55 0.12 0.00 0.20 2.07 -1.33 -3.44 116.25 113.32 1sgg h VAL 51 Ca -0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1sgg h VAL 51 Cb 1.48 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1sgg h VAL 51 CO 0.09 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1sgg n GLY 52 N -1.25 1.76 2.23 2.17 0.00 -1.21 -4.72 105.19 104.17 1sgg n GLY 52 Ca -0.01 0.00 -0.22 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 -0.62 3.09 0.31 1.61 0.31 -0.85 -4.57 118.33 117.62 1sgg n VAL 53 Ca 0.00 -2.37 0.19 0.00 -0.01 0.00 0.00 64.34 62.15 1sgg n VAL 53 Cb 0.00 -1.54 1.04 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 1.64 0.23 -1.96 2.52 1.35 -1.84 -3.38 112.91 111.47 1sgg h THR 54 Ca 0.34 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 65.56 1sgg h THR 54 Cb 0.86 0.95 0.02 0.00 -1.73 0.00 0.00 68.15 68.25 1sgg h THR 54 CO 0.77 0.00 1.02 -0.11 -0.25 0.00 0.00 175.52 176.95 1sgg n LEU 55 N -3.40 3.18 -4.67 3.87 0.00 -1.26 -4.91 117.00 109.81 1sgg n LEU 55 Ca -0.02 1.01 -0.31 0.00 0.00 0.00 0.00 56.01 56.68 1sgg n LEU 55 Cb 0.13 -1.33 0.17 0.00 0.00 0.00 0.00 43.42 42.39 1sgg n LEU 55 CO 0.23 -0.17 0.67 0.00 0.00 0.00 0.00 177.39 178.12 1sgg s ALA 56 N 3.56 1.39 0.00 1.96 0.00 -1.26 -2.25 121.76 125.16 1sgg s ALA 56 Ca 0.92 0.49 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1sgg s ALA 56 Cb -0.76 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 18.94 1sgg s ALA 56 CO 0.53 -2.75 0.00 0.41 0.00 0.00 0.00 175.76 173.95 1sgg n GLY 57 N 0.09 0.89 0.37 0.00 0.00 -1.26 -4.28 105.19 101.01 1sgg n GLY 57 Ca 0.11 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 0.88 -0.74 1.61 -0.00 -1.91 0.28 115.15 115.27 1sgg h HIS 58 Ca 0.00 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.33 1sgg h HIS 58 Cb 0.00 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.10 1sgg h HIS 58 CO 0.00 0.31 0.22 -0.56 -0.00 0.00 0.00 177.93 177.91 1sgg h GLN 59 N 0.73 1.16 0.00 2.45 3.07 -1.63 -2.30 115.11 118.59 1sgg h GLN 59 Ca 0.47 -0.25 -0.03 0.00 0.09 0.00 0.00 58.65 58.92 1sgg h GLN 59 Cb 0.72 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 28.11 1sgg h GLN 59 CO -0.23 0.99 -0.16 -0.22 0.09 0.00 0.00 178.83 179.29 1sgg h LYS 60 N 1.11 0.00 0.44 0.06 3.64 -1.23 -3.12 116.57 117.46 1sgg h LYS 60 Ca 0.24 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1sgg h LYS 60 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1sgg h LYS 60 CO -0.01 0.16 -0.21 -0.22 -2.27 0.00 0.00 179.45 176.91 1sgg h LYS 61 N 0.00 -0.57 0.00 1.90 3.11 0.03 -2.65 116.57 118.39 1sgg h LYS 61 Ca -0.00 0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 1sgg h LYS 61 Cb 1.01 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.37 1sgg h LYS 61 CO 0.02 -0.30 -0.06 0.82 -2.81 0.00 0.00 179.45 177.12 1sgg h ILE 62 N -0.75 0.22 -0.44 2.00 2.04 -1.61 -3.09 117.51 115.89 1sgg h ILE 62 Ca -0.06 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.39 1sgg h ILE 62 Cb 0.53 1.40 -0.09 0.00 -0.74 0.00 0.00 36.82 37.92 1sgg h ILE 62 CO 0.10 0.06 -0.20 0.25 0.00 0.00 0.00 178.15 178.36 1sgg h LEU 63 N 0.00 -0.70 -0.30 1.44 6.46 -1.40 0.15 115.31 120.96 1sgg h LEU 63 Ca -0.00 0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1sgg h LEU 63 Cb 0.39 0.38 -0.01 0.00 -0.73 0.00 0.00 40.66 40.70 1sgg h LEU 63 CO 0.01 -0.23 -0.20 -1.13 -0.62 0.00 0.00 178.44 176.26 1sgg h ASN 64 N -0.11 0.00 -0.54 1.25 -0.73 -1.60 -3.24 115.58 110.61 1sgg h ASN 64 Ca 0.21 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.29 1sgg h ASN 64 Cb 0.44 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.01 1sgg h ASN 64 CO -0.52 0.20 -0.02 -1.28 -0.37 0.00 0.00 177.43 175.45 1sgg h SER 65 N 0.00 0.95 -0.29 1.15 0.87 -0.76 -2.44 113.55 113.03 1sgg h SER 65 Ca -0.00 -0.32 0.08 0.00 -1.23 0.00 0.00 61.79 60.33 1sgg h SER 65 Cb 1.05 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1sgg h SER 65 CO 0.03 1.04 0.48 0.40 -0.53 0.00 0.00 176.83 178.24 1sgg h ILE 66 N 0.84 0.21 0.00 2.23 1.08 -1.04 0.52 117.51 121.34 1sgg h ILE 66 Ca 0.15 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.59 1sgg h ILE 66 Cb 0.56 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1sgg h ILE 66 CO 0.03 0.00 -0.13 1.56 -0.69 0.00 0.00 178.15 178.92 1sgg h GLN 67 N 0.00 0.00 -0.06 2.37 4.20 -1.61 -3.20 115.11 116.81 1sgg h GLN 67 Ca 0.14 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.87 1sgg h GLN 67 Cb 1.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 1sgg h GLN 67 CO -0.00 0.13 0.14 -0.39 -0.67 0.00 0.00 178.83 178.04 1sgg h VAL 68 N 0.00 0.20 0.00 -0.54 -1.51 -0.04 0.13 116.25 114.49 1sgg h VAL 68 Ca -0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.37 1sgg h VAL 68 Cb 1.03 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1sgg h VAL 68 CO 0.02 0.00 -0.77 0.24 -1.23 0.00 0.00 177.57 175.83 1sgg h MET 69 N 0.00 0.00 0.00 5.19 2.86 -1.70 -3.36 114.93 117.93 1sgg h MET 69 Ca 0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1sgg h MET 69 Cb 0.31 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1sgg h MET 69 CO -0.00 0.49 -0.00 0.00 1.06 0.00 0.00 176.91 178.45 1sgg h ARG 70 N -1.00 0.00 0.10 1.72 3.08 -1.61 -1.60 114.38 115.07 1sgg h ARG 70 Ca -0.15 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.91 1sgg h ARG 70 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1sgg h ARG 70 CO -0.09 0.00 -0.16 0.00 -1.07 0.00 0.00 179.97 178.65 1sgg h ALA 71 N 2.00 -0.26 0.00 0.04 0.00 -0.88 -2.99 119.26 117.17 1sgg h ALA 71 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1sgg h ALA 71 Cb 0.08 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sgg h ALA 71 CO 0.00 -0.68 -1.03 0.00 0.00 0.00 0.00 179.25 177.54 1sgg n GLN 72 N -5.28 0.61 0.00 0.00 10.64 -1.06 -5.12 117.38 117.16 1sgg n GLN 72 Ca -0.07 0.13 0.11 0.00 -1.83 0.00 0.00 57.00 55.34 1sgg n GLN 72 Cb 0.20 -1.83 0.66 0.00 -0.86 0.00 0.00 30.24 28.41 1sgg n GLN 72 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90