#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 2.83 -0.90 -3.48 -2.24 -1.26 -4.13 114.28 105.10 1sgg n THR 8 Ca 0.00 -1.77 0.08 0.00 -2.27 0.00 0.00 64.05 60.10 1sgg n THR 8 Cb 0.00 -1.22 0.16 0.00 -2.10 0.00 0.00 70.33 67.17 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 0.04 2.75 -4.77 3.42 2.88 -1.26 -5.02 113.62 111.66 1sgg n SER 9 Ca 0.36 -2.91 -0.31 0.00 -1.33 0.00 0.00 58.87 54.68 1sgg n SER 9 Cb 0.68 -0.41 -0.07 0.00 -0.75 0.00 0.00 64.21 63.66 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 -2.58 3.19 -0.16 0.66 0.08 -1.26 -5.02 117.98 112.89 1sgg s PHE 10 Ca 0.31 0.09 0.15 0.00 0.12 0.00 0.00 56.93 57.60 1sgg s PHE 10 Cb 0.26 -1.63 -0.24 0.00 -0.57 0.00 0.00 43.02 40.84 1sgg s PHE 10 CO 0.05 0.52 0.21 0.09 -0.10 0.00 0.00 175.22 175.99 1sgg n ASN 11 N 0.57 0.40 -3.36 1.36 5.03 -1.26 -5.04 115.26 112.97 1sgg n ASN 11 Ca -0.09 0.11 -0.08 0.00 0.87 0.00 0.00 54.58 55.39 1sgg n ASN 11 Cb 0.52 0.59 0.00 0.00 -1.02 0.00 0.00 39.78 39.87 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 -2.52 0.00 0.60 3.41 -4.23 -1.26 -4.99 115.64 106.65 1sgg s THR 12 Ca -0.10 -0.96 0.29 0.00 -1.18 0.00 0.00 61.69 59.73 1sgg s THR 12 Cb 0.07 -2.49 0.36 0.00 1.34 0.00 0.00 72.50 71.78 1sgg s THR 12 CO 0.81 0.00 1.90 0.58 -0.54 0.00 0.00 174.62 177.37 1sgg h VAL 13 N 2.00 0.30 -0.67 2.29 2.07 -1.90 0.17 116.25 120.51 1sgg h VAL 13 Ca -0.26 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1sgg h VAL 13 Cb 1.25 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1sgg h VAL 13 CO 0.33 0.00 0.18 -0.78 0.02 0.00 0.00 177.57 177.32 1sgg h ASP 14 N 0.00 0.98 1.40 0.57 1.82 -1.94 0.12 116.42 119.37 1sgg h ASP 14 Ca 0.17 -0.19 -0.07 0.00 -0.39 0.00 0.00 57.03 56.55 1sgg h ASP 14 Cb 1.07 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 1sgg h ASP 14 CO -0.00 0.93 -0.34 -0.33 -1.61 0.00 0.00 179.24 177.89 1sgg h GLU 15 N 1.00 0.00 0.00 0.28 4.39 -1.06 -2.83 114.58 116.36 1sgg h GLU 15 Ca 0.22 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.86 1sgg h GLU 15 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1sgg h GLU 15 CO -0.00 0.34 -0.34 2.35 -1.16 0.00 0.00 179.01 180.19 1sgg h TRP 16 N 0.00 0.00 0.00 4.33 7.01 -1.16 -3.24 115.95 122.89 1sgg h TRP 16 Ca -0.00 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1sgg h TRP 16 Cb 1.13 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.19 1sgg h TRP 16 CO 0.00 0.87 -0.06 -0.07 -2.79 0.00 0.00 178.44 176.39 1sgg h LEU 17 N -1.00 0.00 -0.57 0.65 3.38 -0.89 -2.11 115.31 114.76 1sgg h LEU 17 Ca -0.08 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 1sgg h LEU 17 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1sgg h LEU 17 CO -0.05 0.06 -0.47 -0.78 0.09 0.00 0.00 178.44 177.29 1sgg h ASP 18 N 0.00 0.65 0.95 -0.43 1.82 -1.61 -2.81 116.42 114.99 1sgg h ASP 18 Ca -0.00 -0.32 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 1sgg h ASP 18 Cb 0.13 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 39.96 1sgg h ASP 18 CO 0.01 1.02 0.00 0.00 -1.61 0.00 0.00 179.24 178.66 1sgg n ALA 19 N -2.52 1.84 -1.38 -0.78 0.00 -0.80 -2.93 120.51 113.94 1sgg n ALA 19 Ca -0.02 0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 1sgg n ALA 19 Cb 0.56 -1.41 0.17 0.00 0.00 0.00 0.00 19.45 18.77 1sgg n ALA 19 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1sgg n ILE 20 N -2.26 2.93 -2.83 0.00 -5.35 -1.06 -4.99 119.36 105.80 1sgg n ILE 20 Ca 0.03 -2.49 -0.00 0.00 -0.27 0.00 0.00 62.75 60.02 1sgg n ILE 20 Cb 0.29 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 37.69 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 -1.10 -2.76 -3.34 6.28 5.02 -1.15 -4.87 118.16 116.24 1sgg n LYS 21 Ca 0.48 2.33 -0.19 0.00 -2.02 0.00 0.00 58.31 58.90 1sgg n LYS 21 Cb 1.28 -4.38 -0.08 0.00 -0.02 0.00 0.00 35.03 31.83 1sgg n LYS 21 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1sgg s MET 22 N -1.51 0.70 0.12 1.97 -1.94 -1.20 -5.00 119.30 112.44 1sgg s MET 22 Ca 0.00 -1.14 -0.31 0.00 -1.71 0.00 0.00 55.69 52.53 1sgg s MET 22 Cb -0.00 -0.87 -0.10 0.00 2.01 0.00 0.00 34.83 35.87 1sgg s MET 22 CO 0.61 -1.24 1.52 1.03 -0.01 0.00 0.00 175.02 176.92 1sgg h SER 23 N 6.68 -1.76 -2.00 3.03 0.87 -1.95 -3.34 113.55 115.08 1sgg h SER 23 Ca 0.09 0.23 -0.56 0.00 -1.23 0.00 0.00 61.79 60.32 1sgg h SER 23 Cb 1.02 0.72 -0.39 0.00 -0.44 0.00 0.00 62.40 63.31 1sgg h SER 23 CO 0.22 -0.38 -1.11 0.00 -0.53 0.00 0.00 176.83 175.03 1sgg n GLN 24 N -5.21 0.72 -0.00 2.24 -0.00 -1.26 -4.89 117.38 108.98 1sgg n GLN 24 Ca -0.03 -3.23 0.07 0.00 -0.00 0.00 0.00 57.00 53.80 1sgg n GLN 24 Cb 0.32 -1.22 -0.09 0.00 -0.00 0.00 0.00 30.24 29.25 1sgg n GLN 24 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1sgg n TYR 25 N 1.40 0.00 0.00 2.61 4.02 -1.26 -4.46 117.16 119.48 1sgg n TYR 25 Ca 0.21 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 58.10 1sgg n TYR 25 Cb 0.53 -0.17 -0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1sgg n TYR 25 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1sgg h LYS 26 N 0.00 -0.01 -0.92 -0.72 6.56 -1.90 1.15 116.57 120.73 1sgg h LYS 26 Ca 0.00 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.77 1sgg h LYS 26 Cb 0.48 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.07 1sgg h LYS 26 CO 0.00 -0.00 0.59 1.49 -2.06 0.00 0.00 179.45 179.47 1sgg h GLU 27 N -0.01 0.55 -0.26 3.15 4.81 -2.00 -0.62 114.58 120.20 1sgg h GLU 27 Ca -0.00 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1sgg h GLU 27 Cb 0.01 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1sgg h GLU 27 CO -0.00 0.36 -0.11 1.03 -0.73 0.00 0.00 179.01 179.56 1sgg h SER 28 N 0.56 0.55 0.02 1.04 0.87 -1.65 -2.88 113.55 112.05 1sgg h SER 28 Ca 0.48 -0.40 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1sgg h SER 28 Cb 0.98 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1sgg h SER 28 CO -0.22 0.82 -0.04 -0.26 -0.53 0.00 0.00 176.83 176.60 1sgg h PHE 29 N 0.27 0.06 -0.29 2.24 -1.00 0.29 -1.65 116.94 116.86 1sgg h PHE 29 Ca 0.06 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 1sgg h PHE 29 Cb 0.60 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.13 1sgg h PHE 29 CO 0.06 0.10 0.07 0.00 -1.61 0.00 0.00 178.31 176.93 1sgg h ALA 30 N 1.90 1.59 -0.04 2.45 0.00 -1.09 0.72 119.26 124.79 1sgg h ALA 30 Ca 0.02 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1sgg h ALA 30 Cb 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1sgg h ALA 30 CO 0.01 0.31 -0.17 0.66 0.00 0.00 0.00 179.25 180.06 1sgg h SER 31 N 0.41 -0.50 0.88 0.00 4.64 -1.29 -1.43 113.55 116.25 1sgg h SER 31 Ca 0.10 0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 1sgg h SER 31 Cb 0.16 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1sgg h SER 31 CO -0.00 -0.23 -0.26 0.00 -0.87 0.00 0.00 176.83 175.47 1sgg h ALA 32 N 0.70 1.03 0.00 5.18 0.00 -1.60 -3.46 119.26 121.10 1sgg h ALA 32 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sgg h ALA 32 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sgg h ALA 32 CO -0.19 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1sgg n GLY 33 N 0.13 1.48 2.16 0.00 0.00 -0.54 -5.01 105.19 103.41 1sgg n GLY 33 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.02 1.96 1.31 1.61 3.72 0.17 -4.24 117.46 120.97 1sgg n PHE 34 Ca 0.00 -2.19 0.14 0.00 -0.05 0.00 0.00 57.45 55.34 1sgg n PHE 34 Cb 0.00 -1.16 0.52 0.00 -0.94 0.00 0.00 39.48 37.90 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 0.16 0.00 -4.17 4.37 -2.24 -1.26 -4.63 114.28 106.51 1sgg n THR 35 Ca 0.42 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 62.02 1sgg n THR 35 Cb 0.57 0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.96 0.00 -1.17 4.28 -2.24 -1.26 -4.12 114.28 108.81 1sgg n THR 36 Ca 0.13 -1.18 -0.24 0.00 -2.27 0.00 0.00 64.05 60.49 1sgg n THR 36 Cb 0.30 0.53 0.03 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.35 1.97 0.00 4.78 3.01 -1.26 -4.22 117.46 121.39 1sgg n PHE 37 Ca 0.02 -2.20 0.00 0.00 1.01 0.00 0.00 57.45 56.28 1sgg n PHE 37 Cb 0.30 -1.16 0.00 0.00 -0.01 0.00 0.00 39.48 38.60 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 0.16 0.00 -0.24 4.37 8.00 -1.26 -4.63 116.55 122.95 1sgg n ASP 38 Ca 0.42 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.95 1sgg n ASP 38 Cb 0.57 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.80 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 0.39 0.00 0.53 2.04 -1.79 0.97 117.51 119.65 1sgg h ILE 39 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1sgg h ILE 39 Cb 0.00 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1sgg h ILE 39 CO 0.00 0.02 0.00 1.62 0.00 0.00 0.00 178.15 179.79 1sgg h VAL 40 N 0.10 0.00 -0.71 1.67 3.04 -1.74 -2.64 116.25 115.98 1sgg h VAL 40 Ca 0.37 -0.21 -0.46 0.00 -1.01 0.00 0.00 66.70 65.40 1sgg h VAL 40 Cb 0.64 0.98 -0.21 0.00 -2.01 0.00 0.00 31.29 30.69 1sgg h VAL 40 CO -0.62 0.00 0.59 -1.54 -1.01 0.00 0.00 177.57 174.99 1sgg n SER 41 N -2.56 6.26 -2.69 3.17 3.41 0.33 -4.26 113.62 117.28 1sgg n SER 41 Ca 0.00 -3.33 -0.06 0.00 -0.26 0.00 0.00 58.87 55.22 1sgg n SER 41 Cb 0.18 -0.96 0.07 0.00 -0.26 0.00 0.00 64.21 63.24 1sgg n SER 41 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1sgg n GLN 42 N -0.31 0.75 -0.97 4.33 -0.06 -0.99 -4.56 117.38 115.57 1sgg n GLN 42 Ca 0.44 -1.38 0.00 0.00 -2.00 0.00 0.00 57.00 54.06 1sgg n GLN 42 Cb 0.77 -0.21 0.00 0.00 -4.06 0.00 0.00 30.24 26.74 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 -0.29 0.00 -1.05 3.69 0.00 -1.26 -5.04 117.12 113.16 1sgg n MET 43 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.61 1sgg n MET 43 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.97 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 0.00 0.00 0.05 3.17 -2.24 -1.26 -5.02 114.28 108.98 1sgg n THR 44 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1sgg n THR 44 Cb 0.00 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.64 1.10 -0.31 2.28 3.04 -1.95 -1.42 116.25 119.63 1sgg h VAL 45 Ca 0.00 -0.25 0.09 0.00 -1.01 0.00 0.00 66.70 65.53 1sgg h VAL 45 Cb 0.00 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 29.94 1sgg h VAL 45 CO 0.00 0.11 0.37 -0.33 -1.01 0.00 0.00 177.57 176.71 1sgg h GLU 46 N 0.44 0.00 0.14 4.17 3.07 -2.00 -1.34 114.58 119.06 1sgg h GLU 46 Ca 0.11 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.66 1sgg h GLU 46 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1sgg h GLU 46 CO -0.02 0.00 -1.57 -0.44 -1.40 0.00 0.00 179.01 175.58 1sgg h ASP 47 N 0.00 0.48 -0.78 1.42 5.19 -1.66 -3.29 116.42 117.78 1sgg h ASP 47 Ca 0.15 -0.89 0.12 0.00 -0.62 0.00 0.00 57.03 55.78 1sgg h ASP 47 Cb 0.88 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 40.18 1sgg h ASP 47 CO -0.00 1.70 0.51 0.40 -3.12 0.00 0.00 179.24 178.72 1sgg h ILE 48 N -0.13 0.88 0.00 0.35 2.04 -1.22 0.19 117.51 119.62 1sgg h ILE 48 Ca -0.33 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1sgg h ILE 48 Cb 1.90 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1sgg h ILE 48 CO 0.11 0.11 -0.13 -0.07 0.00 0.00 0.00 178.15 178.17 1sgg h LEU 49 N 0.59 0.00 0.14 1.44 3.38 -1.59 -2.51 115.31 116.77 1sgg h LEU 49 Ca 0.37 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.08 1sgg h LEU 49 Cb 0.62 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.38 1sgg h LEU 49 CO -0.14 0.13 -1.23 -0.09 0.09 0.00 0.00 178.44 177.20 1sgg h ARG 50 N 0.00 0.30 -0.11 1.13 2.43 -0.74 -3.28 114.38 114.12 1sgg h ARG 50 Ca -0.00 -0.52 0.03 0.00 -0.81 0.00 0.00 59.98 58.68 1sgg h ARG 50 Cb 0.77 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1sgg h ARG 50 CO 0.02 1.25 0.30 0.28 -1.51 0.00 0.00 179.97 180.30 1sgg h VAL 51 N -0.26 0.14 0.00 0.20 2.07 -1.27 -3.44 116.25 113.70 1sgg h VAL 51 Ca -0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1sgg h VAL 51 Cb 1.78 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1sgg h VAL 51 CO 0.12 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.32 1sgg n GLY 52 N -1.28 1.59 2.65 2.17 0.00 -1.23 -4.68 105.19 104.40 1sgg n GLY 52 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.88 3.43 0.32 1.61 0.31 -0.95 -4.63 118.33 117.54 1sgg n VAL 53 Ca 0.00 -3.50 0.21 0.00 -0.01 0.00 0.00 64.34 61.04 1sgg n VAL 53 Cb 0.00 -1.42 1.08 0.00 -0.91 0.00 0.00 33.84 32.59 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 1.92 0.00 -2.05 2.52 1.35 -1.84 -3.38 112.91 111.44 1sgg h THR 54 Ca 0.47 -0.09 -0.62 0.00 -0.55 0.00 0.00 66.41 65.62 1sgg h THR 54 Cb 0.43 1.05 0.06 0.00 -1.73 0.00 0.00 68.15 67.95 1sgg h THR 54 CO 1.14 0.00 0.65 0.18 -0.25 0.00 0.00 175.52 177.24 1sgg n LEU 55 N -3.01 2.49 -4.74 3.87 4.77 -1.26 -4.90 117.00 114.23 1sgg n LEU 55 Ca -0.02 1.10 -0.31 0.00 -0.03 0.00 0.00 56.01 56.75 1sgg n LEU 55 Cb 0.11 -1.33 0.11 0.00 -2.33 0.00 0.00 43.42 39.98 1sgg n LEU 55 CO 0.20 -0.61 0.70 0.00 -1.33 0.00 0.00 177.39 176.35 1sgg s ALA 56 N 0.69 2.01 0.00 -1.18 0.00 -1.26 -2.27 121.76 119.75 1sgg s ALA 56 Ca 0.80 0.41 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1sgg s ALA 56 Cb -0.79 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1sgg s ALA 56 CO 0.42 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.52 1sgg n GLY 57 N -0.65 0.88 0.38 0.00 0.00 -1.26 -4.25 105.19 100.28 1sgg n GLY 57 Ca 0.10 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.26 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 0.50 -0.35 1.61 -0.00 -1.92 0.64 115.15 115.62 1sgg h HIS 58 Ca 0.00 0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.23 1sgg h HIS 58 Cb 0.00 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.25 1sgg h HIS 58 CO 0.00 0.20 -0.40 -0.56 -0.00 0.00 0.00 177.93 177.16 1sgg h GLN 59 N 0.43 0.89 0.00 2.45 3.07 -1.63 -2.98 115.11 117.35 1sgg h GLN 59 Ca 0.36 -0.49 -0.09 0.00 0.09 0.00 0.00 58.65 58.52 1sgg h GLN 59 Cb 0.80 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.38 1sgg h GLN 59 CO -0.12 1.14 -0.42 -0.22 0.09 0.00 0.00 178.83 179.30 1sgg h LYS 60 N 0.70 0.00 0.17 0.06 3.64 -1.37 -3.10 116.57 116.66 1sgg h LYS 60 Ca 0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1sgg h LYS 60 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1sgg h LYS 60 CO 0.10 0.42 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.40 1sgg h LYS 61 N 0.00 -0.22 0.00 1.90 3.11 0.30 -2.70 116.57 118.96 1sgg h LYS 61 Ca -0.00 0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.82 1sgg h LYS 61 Cb 1.30 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.58 1sgg h LYS 61 CO 0.05 -0.00 -0.17 0.82 -2.81 0.00 0.00 179.45 177.34 1sgg h ILE 62 N -0.40 0.51 -0.36 2.00 2.04 -1.62 -3.16 117.51 116.51 1sgg h ILE 62 Ca -0.02 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.06 1sgg h ILE 62 Cb 0.31 1.58 -0.09 0.00 -0.74 0.00 0.00 36.82 37.89 1sgg h ILE 62 CO 0.04 0.17 -0.28 0.25 0.00 0.00 0.00 178.15 178.33 1sgg h LEU 63 N 0.00 -0.92 -0.99 1.44 6.46 -1.39 0.23 115.31 120.15 1sgg h LEU 63 Ca -0.00 0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 1sgg h LEU 63 Cb 0.57 0.44 -0.00 0.00 -0.73 0.00 0.00 40.66 40.94 1sgg h LEU 63 CO 0.02 -0.29 -0.13 -1.13 -0.62 0.00 0.00 178.44 176.28 1sgg h ASN 64 N -0.23 0.00 -0.11 1.25 -0.73 -1.60 -3.03 115.58 111.13 1sgg h ASN 64 Ca 0.17 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.23 1sgg h ASN 64 Cb 0.50 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1sgg h ASN 64 CO -0.49 0.13 -0.27 0.28 -0.37 0.00 0.00 177.43 176.71 1sgg h SER 65 N 0.00 0.58 -0.19 1.15 0.02 -0.60 -2.53 113.55 111.98 1sgg h SER 65 Ca -0.00 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1sgg h SER 65 Cb 0.75 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1sgg h SER 65 CO 0.02 0.83 0.37 0.40 -1.14 0.00 0.00 176.83 177.31 1sgg h ILE 66 N 0.49 0.19 0.00 3.27 1.08 -1.01 0.41 117.51 121.93 1sgg h ILE 66 Ca 0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.52 1sgg h ILE 66 Cb 0.73 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1sgg h ILE 66 CO 0.06 0.00 -0.07 1.56 -0.69 0.00 0.00 178.15 179.01 1sgg h GLN 67 N 0.00 0.00 -0.08 2.37 4.20 -1.63 -3.21 115.11 116.77 1sgg h GLN 67 Ca 0.09 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.82 1sgg h GLN 67 Cb 0.83 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 1sgg h GLN 67 CO -0.00 0.07 0.21 -0.39 -0.67 0.00 0.00 178.83 178.04 1sgg h VAL 68 N 0.00 0.16 0.00 -0.54 -1.51 -0.30 0.45 116.25 114.51 1sgg h VAL 68 Ca -0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.35 1sgg h VAL 68 Cb 0.99 0.81 -0.02 0.00 -2.13 0.00 0.00 31.29 30.94 1sgg h VAL 68 CO 0.01 0.00 -0.91 0.23 -1.23 0.00 0.00 177.57 175.67 1sgg n MET 69 N -3.26 0.51 0.32 5.19 2.81 -1.21 -4.10 117.12 117.38 1sgg n MET 69 Ca -0.01 0.55 0.20 0.00 -1.81 0.00 0.00 57.70 56.63 1sgg n MET 69 Cb 0.29 -1.72 1.07 0.00 -0.71 0.00 0.00 33.22 32.15 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 0.31 0.03 3.08 -1.61 -1.16 114.38 114.03 1sgg h ARG 70 Ca -0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1sgg h ARG 70 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1sgg h ARG 70 CO -0.11 0.00 -0.15 0.00 -1.07 0.00 0.00 179.97 178.64 1sgg h ALA 71 N 1.90 -0.41 0.00 0.04 0.00 -1.06 -2.96 119.26 116.77 1sgg h ALA 71 Ca 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sgg h ALA 71 Cb 0.12 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sgg h ALA 71 CO -0.00 -0.73 -0.46 -0.56 0.00 0.00 0.00 179.25 177.50 1sgg h GLN 72 N -0.41 0.00 -0.00 0.00 3.07 -1.62 -3.52 115.11 112.63 1sgg h GLN 72 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1sgg h GLN 72 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 1sgg h GLN 72 CO 0.07 0.01 0.00 -1.33 0.09 0.00 0.00 178.83 177.67