#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 3.45 -1.27 -3.48 -2.24 -1.26 -3.90 114.28 105.59 1sgg n THR 8 Ca 0.00 -1.88 0.02 0.00 -2.27 0.00 0.00 64.05 59.92 1sgg n THR 8 Cb 0.00 -2.22 0.02 0.00 -2.10 0.00 0.00 70.33 66.03 1sgg n THR 8 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1sgg n SER 9 N 2.90 0.65 -4.78 3.42 2.88 -1.26 -5.06 113.62 112.37 1sgg n SER 9 Ca 0.56 -1.86 -0.36 0.00 -1.33 0.00 0.00 58.87 55.87 1sgg n SER 9 Cb 0.66 -0.15 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 1sgg n SER 9 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1sgg s PHE 10 N -0.60 3.41 -0.03 0.66 0.08 -1.25 -4.99 117.98 115.25 1sgg s PHE 10 Ca 0.05 0.36 0.12 0.00 0.12 0.00 0.00 56.93 57.58 1sgg s PHE 10 Cb 0.05 -1.92 -0.17 0.00 -0.57 0.00 0.00 43.02 40.40 1sgg s PHE 10 CO 0.00 0.56 0.96 -0.91 -0.10 0.00 0.00 175.22 175.73 1sgg h ASN 11 N 5.35 0.00 -5.06 1.36 -0.26 -1.97 -3.49 115.58 111.51 1sgg h ASN 11 Ca -0.51 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.29 1sgg h ASN 11 Cb 1.21 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.43 1sgg h ASN 11 CO 0.59 0.85 0.29 0.42 -1.06 0.00 0.00 177.43 178.53 1sgg s THR 12 N -2.74 0.00 0.59 2.81 -4.23 -1.26 -4.99 115.64 105.82 1sgg s THR 12 Ca -0.02 -0.94 0.29 0.00 -1.18 0.00 0.00 61.69 59.84 1sgg s THR 12 Cb 0.09 -2.39 0.39 0.00 1.34 0.00 0.00 72.50 71.92 1sgg s THR 12 CO 0.81 0.00 1.86 0.58 -0.54 0.00 0.00 174.62 177.34 1sgg h VAL 13 N 2.00 0.35 -0.69 2.29 2.07 -1.71 0.17 116.25 120.72 1sgg h VAL 13 Ca -0.25 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1sgg h VAL 13 Cb 1.25 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1sgg h VAL 13 CO 0.31 0.00 0.23 -0.78 0.02 0.00 0.00 177.57 177.35 1sgg h ASP 14 N 0.00 0.99 1.38 0.57 1.82 -1.89 0.16 116.42 119.45 1sgg h ASP 14 Ca 0.24 -0.20 -0.08 0.00 -0.39 0.00 0.00 57.03 56.60 1sgg h ASP 14 Cb 1.29 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 41.03 1sgg h ASP 14 CO -0.00 0.92 -0.37 -0.33 -1.61 0.00 0.00 179.24 177.85 1sgg h GLU 15 N 1.00 0.00 0.00 0.28 4.39 -1.07 -3.05 114.58 116.14 1sgg h GLU 15 Ca 0.23 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 1sgg h GLU 15 Cb 0.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1sgg h GLU 15 CO -0.01 0.37 -0.21 2.35 -1.16 0.00 0.00 179.01 180.35 1sgg h TRP 16 N 0.00 0.00 -0.16 4.33 7.01 -1.03 -3.31 115.95 122.79 1sgg h TRP 16 Ca -0.00 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.04 1sgg h TRP 16 Cb 1.16 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.21 1sgg h TRP 16 CO 0.00 0.67 0.21 -0.07 -2.79 0.00 0.00 178.44 176.46 1sgg h LEU 17 N -1.00 0.00 -1.28 0.65 3.38 -0.82 0.21 115.31 116.45 1sgg h LEU 17 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1sgg h LEU 17 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1sgg h LEU 17 CO -0.03 0.00 0.00 -0.78 0.09 0.00 0.00 178.44 177.72 1sgg h ASP 18 N 0.00 0.00 1.29 -0.43 3.58 -1.62 -2.71 116.42 116.53 1sgg h ASP 18 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1sgg h ASP 18 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1sgg h ASP 18 CO -0.00 0.00 -0.47 0.00 -2.88 0.00 0.00 179.24 175.88 1sgg h ALA 19 N 2.01 0.73 -0.69 -0.78 0.00 -0.67 -3.29 119.26 116.57 1sgg h ALA 19 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1sgg h ALA 19 Cb 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.22 1sgg h ALA 19 CO 0.00 0.00 0.25 0.44 0.00 0.00 0.00 179.25 179.94 1sgg n ILE 20 N -2.55 2.89 -3.14 0.00 -5.35 -1.03 -4.98 119.36 105.20 1sgg n ILE 20 Ca 0.03 -1.75 -0.18 0.00 -0.27 0.00 0.00 62.75 60.58 1sgg n ILE 20 Cb 0.49 -0.35 0.02 0.00 -1.74 0.00 0.00 39.64 38.06 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 -0.28 -2.09 0.08 6.28 4.76 -1.24 -4.96 118.16 120.70 1sgg n LYS 21 Ca 0.40 1.76 0.00 0.00 -2.87 0.00 0.00 58.31 57.60 1sgg n LYS 21 Cb 1.35 -4.32 0.00 0.00 -1.84 0.00 0.00 35.03 30.21 1sgg n LYS 21 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1sgg n MET 22 N -0.54 0.00 0.00 1.97 2.81 -1.21 -5.00 117.12 115.14 1sgg n MET 22 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1sgg n MET 22 Cb 0.55 -0.33 0.00 0.00 -0.71 0.00 0.00 33.22 32.73 1sgg n MET 22 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1sgg n SER 23 N -3.44 0.00 -1.82 7.83 2.88 -1.26 -4.25 113.62 113.56 1sgg n SER 23 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1sgg n SER 23 Cb 0.03 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.55 1sgg n SER 23 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sgg n GLN 24 N 0.00 1.79 0.00 -1.46 1.13 -1.26 -3.92 117.38 113.66 1sgg n GLN 24 Ca 0.00 -1.66 0.00 0.00 -1.94 0.00 0.00 57.00 53.40 1sgg n GLN 24 Cb 0.00 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 28.70 1sgg n GLN 24 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1sgg n TYR 25 N 0.00 0.00 0.00 1.08 4.02 -1.26 -4.63 117.16 116.37 1sgg n TYR 25 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.21 1sgg n TYR 25 Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.11 1sgg n TYR 25 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1sgg n LYS 26 N -0.97 0.00 0.31 -0.72 4.01 -1.25 0.12 118.16 119.66 1sgg n LYS 26 Ca 0.00 0.16 0.18 0.00 -0.51 0.00 0.00 58.31 58.15 1sgg n LYS 26 Cb 0.00 -0.98 0.94 0.00 -0.51 0.00 0.00 35.03 34.48 1sgg n LYS 26 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1sgg h GLU 27 N 0.00 0.00 0.13 1.97 5.08 -1.89 -1.57 114.58 118.30 1sgg h GLU 27 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1sgg h GLU 27 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sgg h GLU 27 CO 0.00 0.00 -0.06 1.03 -1.00 0.00 0.00 179.01 178.98 1sgg h SER 28 N 0.00 -0.15 0.56 1.42 0.87 -1.69 -3.17 113.55 111.40 1sgg h SER 28 Ca 0.02 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1sgg h SER 28 Cb 0.47 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1sgg h SER 28 CO -0.00 0.45 -0.03 -0.26 -0.53 0.00 0.00 176.83 176.47 1sgg h PHE 29 N -0.92 0.00 0.00 2.24 -1.00 0.15 -1.91 116.94 115.51 1sgg h PHE 29 Ca -0.02 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 1sgg h PHE 29 Cb 0.50 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.06 1sgg h PHE 29 CO 0.09 0.03 -0.02 0.00 -1.61 0.00 0.00 178.31 176.80 1sgg h ALA 30 N 1.97 1.00 0.19 2.45 0.00 -1.33 0.48 119.26 124.01 1sgg h ALA 30 Ca -0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 1sgg h ALA 30 Cb 0.31 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.12 1sgg h ALA 30 CO 0.00 0.03 -1.50 0.77 0.00 0.00 0.00 179.25 178.55 1sgg h SER 31 N 0.00 0.62 1.39 0.00 0.02 -1.31 -3.29 113.55 110.98 1sgg h SER 31 Ca -0.00 -0.75 -0.00 0.00 -0.84 0.00 0.00 61.79 60.20 1sgg h SER 31 Cb 0.72 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1sgg h SER 31 CO 0.00 1.60 -0.01 0.00 -1.14 0.00 0.00 176.83 177.29 1sgg h ALA 32 N 0.31 1.00 0.00 3.77 0.00 -1.57 -3.46 119.26 119.31 1sgg h ALA 32 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sgg h ALA 32 Cb 2.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1sgg h ALA 32 CO 0.22 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1sgg n GLY 33 N 0.44 1.79 2.68 0.00 0.00 -1.11 -5.04 105.19 103.96 1sgg n GLY 33 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.46 2.86 -0.06 1.61 3.72 0.16 -4.03 117.46 121.27 1sgg n PHE 34 Ca 0.00 -2.61 -0.06 0.00 -0.05 0.00 0.00 57.45 54.73 1sgg n PHE 34 Cb 0.00 -1.16 -0.02 0.00 -0.94 0.00 0.00 39.48 37.36 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 -0.12 0.98 -1.67 4.37 -2.24 -1.26 -4.33 114.28 110.01 1sgg n THR 35 Ca 0.47 0.27 -0.23 0.00 -2.27 0.00 0.00 64.05 62.29 1sgg n THR 35 Cb 0.27 -2.05 0.16 0.00 -2.10 0.00 0.00 70.33 66.61 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 -3.77 0.00 -3.06 4.28 -2.24 -1.26 -2.19 114.28 106.04 1sgg n THR 36 Ca -0.09 -0.73 -0.45 0.00 -2.27 0.00 0.00 64.05 60.51 1sgg n THR 36 Cb 0.34 -1.60 -0.02 0.00 -2.10 0.00 0.00 70.33 66.94 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 -3.20 3.38 0.00 4.78 0.08 -1.26 -4.52 117.98 117.25 1sgg s PHE 37 Ca 0.58 -1.67 0.00 0.00 0.12 0.00 0.00 56.93 55.95 1sgg s PHE 37 Cb -0.02 -4.13 0.00 0.00 -0.57 0.00 0.00 43.02 38.30 1sgg s PHE 37 CO 0.41 -1.31 0.00 -0.25 -0.10 0.00 0.00 175.22 173.96 1sgg n ASP 38 N 5.56 0.00 -0.10 1.36 8.00 -1.26 -4.94 116.55 125.17 1sgg n ASP 38 Ca 0.22 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.61 1sgg n ASP 38 Cb 0.48 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.54 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 0.11 0.00 0.53 2.04 -1.80 0.76 117.51 119.14 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 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1sgg h ILE 39 CO 0.00 0.00 0.12 1.62 0.00 0.00 0.00 178.15 179.89 1sgg h VAL 40 N -0.37 0.00 -0.66 1.67 3.04 -1.80 -2.13 116.25 116.00 1sgg h VAL 40 Ca 0.12 0.00 -0.38 0.00 -1.01 0.00 0.00 66.70 65.43 1sgg h VAL 40 Cb 0.60 0.80 -0.15 0.00 -2.01 0.00 0.00 31.29 30.52 1sgg h VAL 40 CO -0.54 0.00 0.39 -1.20 -1.01 0.00 0.00 177.57 175.21 1sgg n SER 41 N -2.86 6.46 -0.96 3.17 7.64 0.26 -3.85 113.62 123.48 1sgg n SER 41 Ca -0.02 -3.11 -0.03 0.00 1.01 0.00 0.00 58.87 56.72 1sgg n SER 41 Cb 0.17 -1.12 -0.02 0.00 -1.01 0.00 0.00 64.21 62.23 1sgg n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sgg n GLN 42 N 0.56 0.11 -4.66 1.43 1.13 -0.80 -4.56 117.38 110.59 1sgg n GLN 42 Ca 0.37 -0.53 -0.29 0.00 -1.94 0.00 0.00 57.00 54.61 1sgg n GLN 42 Cb 0.58 0.46 -0.09 0.00 0.11 0.00 0.00 30.24 31.30 1sgg n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sgg s MET 43 N 0.01 2.05 0.00 -1.09 0.23 -1.25 -5.10 119.30 114.14 1sgg s MET 43 Ca 0.01 -2.25 0.00 0.00 -1.03 0.00 0.00 55.69 52.41 1sgg s MET 43 Cb 0.04 -1.32 0.00 0.00 -1.53 0.00 0.00 34.83 32.01 1sgg s MET 43 CO -0.01 -0.30 0.00 0.25 -2.03 0.00 0.00 175.02 172.93 1sgg n THR 44 N -1.08 0.00 0.26 3.16 -2.24 -1.26 -5.00 114.28 108.12 1sgg n THR 44 Ca -0.12 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.81 1sgg n THR 44 Cb 0.67 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.13 0.85 2.28 3.04 -1.95 -3.22 116.25 117.38 1sgg h VAL 45 Ca 0.00 -0.66 -0.04 0.00 -1.01 0.00 0.00 66.70 64.99 1sgg h VAL 45 Cb 0.00 1.58 0.01 0.00 -2.01 0.00 0.00 31.29 30.87 1sgg h VAL 45 CO 0.00 0.05 -0.41 -0.08 -1.01 0.00 0.00 177.57 176.12 1sgg h GLU 46 N 0.00 -1.10 -0.92 4.17 4.57 -1.98 -2.79 114.58 116.54 1sgg h GLU 46 Ca -0.00 0.07 0.14 0.00 -1.18 0.00 0.00 59.36 58.40 1sgg h GLU 46 Cb 0.58 0.25 -0.08 0.00 -0.16 0.00 0.00 28.75 29.34 1sgg h GLU 46 CO 0.01 -0.73 0.59 -0.44 -1.18 0.00 0.00 179.01 177.26 1sgg h ASP 47 N -1.21 0.72 -0.81 1.04 5.19 -1.96 -0.94 116.42 118.44 1sgg h ASP 47 Ca -0.12 0.05 0.12 0.00 -0.62 0.00 0.00 57.03 56.46 1sgg h ASP 47 Cb 0.87 -0.10 -0.08 0.00 0.18 0.00 0.00 39.33 40.20 1sgg h ASP 47 CO 0.19 0.36 0.43 0.40 -3.12 0.00 0.00 179.24 177.51 1sgg h ILE 48 N 0.76 0.82 0.00 0.35 2.04 -1.52 0.30 117.51 120.26 1sgg h ILE 48 Ca 0.47 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 66.09 1sgg h ILE 48 Cb 0.68 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1sgg h ILE 48 CO -0.23 0.12 0.00 0.25 0.00 0.00 0.00 178.15 178.30 1sgg h LEU 49 N 0.68 0.00 0.06 1.44 5.85 -0.91 -1.88 115.31 120.55 1sgg h LEU 49 Ca 0.42 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 59.00 1sgg h LEU 49 Cb 0.49 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1sgg h LEU 49 CO -0.30 0.00 -0.69 -0.09 -0.34 0.00 0.00 178.44 177.02 1sgg h ARG 50 N 0.00 0.12 -0.07 1.25 2.43 -0.36 -3.29 114.38 114.47 1sgg h ARG 50 Ca 0.00 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1sgg h ARG 50 Cb 0.32 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1sgg h ARG 50 CO 0.00 1.10 0.25 0.28 -1.51 0.00 0.00 179.97 180.09 1sgg h VAL 51 N -0.71 0.11 0.00 0.20 2.07 -1.22 -3.44 116.25 113.26 1sgg h VAL 51 Ca -0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1sgg h VAL 51 Cb 1.36 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1sgg h VAL 51 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 1sgg n GLY 52 N -1.24 1.77 2.12 2.17 0.00 -1.19 -4.76 105.19 104.06 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 -0.53 3.03 0.29 1.61 0.31 -0.72 -4.56 118.33 117.75 1sgg n VAL 53 Ca 0.00 -2.19 0.18 0.00 -0.01 0.00 0.00 64.34 62.32 1sgg n VAL 53 Cb 0.00 -1.40 0.98 0.00 -0.91 0.00 0.00 33.84 32.51 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 1.31 0.28 -2.20 2.52 1.35 -1.83 -3.38 112.91 110.96 1sgg h THR 54 Ca 0.35 0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 65.62 1sgg h THR 54 Cb 0.84 0.91 0.05 0.00 -1.73 0.00 0.00 68.15 68.22 1sgg h THR 54 CO 0.87 0.00 0.87 -0.11 -0.25 0.00 0.00 175.52 176.90 1sgg n LEU 55 N -3.48 3.17 -4.70 3.87 0.00 -1.26 -4.93 117.00 109.66 1sgg n LEU 55 Ca -0.02 1.05 -0.30 0.00 0.00 0.00 0.00 56.01 56.74 1sgg n LEU 55 Cb 0.19 -1.41 0.14 0.00 0.00 0.00 0.00 43.42 42.34 1sgg n LEU 55 CO 0.23 -0.24 0.67 0.00 0.00 0.00 0.00 177.39 178.06 1sgg s ALA 56 N 1.73 1.61 0.00 1.96 0.00 -1.26 -2.53 121.76 123.27 1sgg s ALA 56 Ca 0.82 0.27 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1sgg s ALA 56 Cb -0.68 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1sgg s ALA 56 CO 0.42 -2.40 0.00 0.41 0.00 0.00 0.00 175.76 174.18 1sgg n GLY 57 N -0.56 0.89 0.38 0.00 0.00 -1.26 -4.27 105.19 100.38 1sgg n GLY 57 Ca 0.09 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.24 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 0.67 -0.41 1.61 -0.00 -1.92 0.38 115.15 115.48 1sgg h HIS 58 Ca 0.00 0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.25 1sgg h HIS 58 Cb 0.00 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 1sgg h HIS 58 CO 0.00 0.24 -0.29 -0.56 -0.00 0.00 0.00 177.93 177.32 1sgg h GLN 59 N 0.56 0.92 0.00 2.45 3.07 -1.67 -2.91 115.11 117.54 1sgg h GLN 59 Ca 0.42 -0.44 -0.05 0.00 0.09 0.00 0.00 58.65 58.66 1sgg h GLN 59 Cb 0.81 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.36 1sgg h GLN 59 CO -0.17 1.10 -0.25 0.87 0.09 0.00 0.00 178.83 180.46 1sgg h LYS 60 N 0.74 0.00 0.44 0.06 1.57 -1.36 -3.18 116.57 114.85 1sgg h LYS 60 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1sgg h LYS 60 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1sgg h LYS 60 CO 0.08 0.25 -0.21 -0.22 -0.57 0.00 0.00 179.45 178.78 1sgg h LYS 61 N 0.00 -0.57 0.00 3.15 3.11 -0.12 -2.51 116.57 119.63 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 1.04 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1sgg h LYS 61 CO 0.03 -0.31 -0.04 0.82 -2.81 0.00 0.00 179.45 177.14 1sgg h ILE 62 N -0.74 0.41 -0.30 2.00 2.04 -1.61 -2.68 117.51 116.62 1sgg h ILE 62 Ca -0.06 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.63 1sgg h ILE 62 Cb 0.53 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 1sgg h ILE 62 CO 0.10 0.04 -0.10 0.25 0.00 0.00 0.00 178.15 178.45 1sgg h LEU 63 N 0.00 -0.34 -0.24 1.44 6.46 -1.42 0.39 115.31 121.59 1sgg h LEU 63 Ca -0.00 0.10 -0.12 0.00 -0.12 0.00 0.00 57.88 57.74 1sgg h LEU 63 Cb 0.15 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1sgg h LEU 63 CO 0.01 -0.13 -0.56 -1.13 -0.62 0.00 0.00 178.44 176.02 1sgg h ASN 64 N -0.03 0.00 -0.24 1.25 -1.24 -1.50 -3.27 115.58 110.54 1sgg h ASN 64 Ca 0.15 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.05 1sgg h ASN 64 Cb 0.26 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.30 1sgg h ASN 64 CO -0.33 0.56 -0.27 -1.28 -1.29 0.00 0.00 177.43 174.81 1sgg h SER 65 N 0.00 0.66 -0.47 1.15 0.87 -0.98 -2.86 113.55 111.91 1sgg h SER 65 Ca -0.01 -0.49 0.14 0.00 -1.23 0.00 0.00 61.79 60.20 1sgg h SER 65 Cb 1.33 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 1sgg h SER 65 CO 0.07 1.01 0.59 0.40 -0.53 0.00 0.00 176.83 178.38 1sgg h ILE 66 N 0.32 0.25 0.00 2.23 2.04 -0.32 0.84 117.51 122.86 1sgg h ILE 66 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1sgg h ILE 66 Cb 0.84 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1sgg h ILE 66 CO 0.07 0.00 0.00 1.56 0.00 0.00 0.00 178.15 179.78 1sgg h GLN 67 N 0.00 0.00 -0.11 2.37 4.20 -1.64 -3.11 115.11 116.83 1sgg h GLN 67 Ca 0.22 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.97 1sgg h GLN 67 Cb 1.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.18 1sgg h GLN 67 CO -0.00 0.00 0.23 -0.39 -0.67 0.00 0.00 178.83 177.99 1sgg h VAL 68 N 0.00 0.21 0.00 -0.54 -1.51 0.60 -1.15 116.25 113.85 1sgg h VAL 68 Ca 0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.34 1sgg h VAL 68 Cb 0.73 0.80 -0.02 0.00 -2.13 0.00 0.00 31.29 30.67 1sgg h VAL 68 CO 0.00 0.00 -0.94 0.23 -1.23 0.00 0.00 177.57 175.63 1sgg n MET 69 N -3.34 0.51 0.26 5.19 2.81 -1.17 -4.04 117.12 117.34 1sgg n MET 69 Ca -0.00 0.56 0.18 0.00 -1.81 0.00 0.00 57.70 56.62 1sgg n MET 69 Cb 0.32 -1.72 0.84 0.00 -0.71 0.00 0.00 33.22 31.95 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 0.13 0.03 1.12 -1.60 -0.96 114.38 112.10 1sgg h ARG 70 Ca -0.20 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.68 1sgg h ARG 70 Cb 0.95 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.89 1sgg h ARG 70 CO -0.12 0.00 -0.16 0.00 -3.11 0.00 0.00 179.97 176.58 1sgg h ALA 71 N 1.50 -0.29 0.00 2.80 0.00 -1.36 -2.97 119.26 118.94 1sgg h ALA 71 Ca 0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1sgg h ALA 71 Cb 0.67 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1sgg h ALA 71 CO -0.00 -0.69 -0.99 -0.56 0.00 0.00 0.00 179.25 177.01 1sgg h GLN 72 N -0.33 0.00 0.00 0.00 3.07 -1.55 -3.52 115.11 112.77 1sgg h GLN 72 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1sgg h GLN 72 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.89 1sgg h GLN 72 CO -0.07 0.14 0.00 -1.33 0.09 0.00 0.00 178.83 177.67