#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 2.86 -1.04 -3.48 -2.24 -1.26 -4.13 114.28 105.00 1sgg n THR 8 Ca 0.00 -1.77 0.10 0.00 -2.27 0.00 0.00 64.05 60.10 1sgg n THR 8 Cb 0.00 -1.32 0.16 0.00 -2.10 0.00 0.00 70.33 67.07 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 0.23 2.65 -4.72 3.42 7.64 -1.26 -5.02 113.62 116.56 1sgg n SER 9 Ca 0.33 -3.06 -0.30 0.00 1.01 0.00 0.00 58.87 56.85 1sgg n SER 9 Cb 0.58 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 63.26 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 -2.83 3.07 -0.15 1.43 0.08 -1.26 -5.02 117.98 113.30 1sgg s PHE 10 Ca 0.33 0.02 0.16 0.00 0.12 0.00 0.00 56.93 57.57 1sgg s PHE 10 Cb 0.29 -1.58 -0.24 0.00 -0.57 0.00 0.00 43.02 40.92 1sgg s PHE 10 CO 0.04 0.50 0.25 0.09 -0.10 0.00 0.00 175.22 175.99 1sgg n ASN 11 N 0.56 0.25 -3.27 1.36 4.13 -1.26 -4.99 115.26 112.03 1sgg n ASN 11 Ca -0.10 0.12 -0.08 0.00 1.68 0.00 0.00 54.58 56.20 1sgg n ASN 11 Cb 0.52 0.69 0.01 0.00 -1.54 0.00 0.00 39.78 39.46 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 -2.53 0.00 0.60 3.41 -4.23 -1.26 -4.96 115.64 106.68 1sgg s THR 12 Ca -0.08 -1.02 0.28 0.00 -1.18 0.00 0.00 61.69 59.69 1sgg s THR 12 Cb 0.07 -2.56 0.37 0.00 1.34 0.00 0.00 72.50 71.71 1sgg s THR 12 CO 0.83 0.00 1.86 0.58 -0.54 0.00 0.00 174.62 177.34 1sgg h VAL 13 N 2.01 0.29 -0.35 2.29 2.07 -1.64 0.13 116.25 121.04 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 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1sgg h VAL 13 CO 0.34 0.00 0.00 -0.78 0.02 0.00 0.00 177.57 177.15 1sgg h ASP 14 N 0.00 0.60 1.47 0.57 3.58 -1.89 0.11 116.42 120.85 1sgg h ASP 14 Ca 0.20 -0.31 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 1sgg h ASP 14 Cb 1.21 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 1sgg h ASP 14 CO -0.00 0.76 -0.23 -0.33 -2.88 0.00 0.00 179.24 176.56 1sgg h GLU 15 N 0.42 0.00 0.00 0.28 4.39 -1.16 -3.09 114.58 115.42 1sgg h GLU 15 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1sgg h GLU 15 Cb 0.45 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1sgg h GLU 15 CO 0.02 0.23 -0.07 2.35 -1.16 0.00 0.00 179.01 180.38 1sgg h TRP 16 N 0.00 0.00 -0.22 4.33 7.01 -1.07 -3.29 115.95 122.72 1sgg h TRP 16 Ca -0.00 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.06 1sgg h TRP 16 Cb 1.03 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.08 1sgg h TRP 16 CO 0.00 0.52 0.30 -0.07 -2.79 0.00 0.00 178.44 176.40 1sgg h LEU 17 N -1.00 0.00 -1.25 0.65 3.38 -0.89 0.22 115.31 116.41 1sgg h LEU 17 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1sgg h LEU 17 Cb 0.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1sgg h LEU 17 CO -0.01 0.00 0.37 -0.78 0.09 0.00 0.00 178.44 178.11 1sgg h ASP 18 N 0.00 0.78 0.45 -0.43 3.58 -1.60 -0.52 116.42 118.68 1sgg h ASP 18 Ca 0.10 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1sgg h ASP 18 Cb 0.69 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1sgg h ASP 18 CO -0.00 0.62 0.00 0.00 -2.88 0.00 0.00 179.24 176.98 1sgg h ALA 19 N 1.52 1.00 -0.22 -0.78 0.00 -1.07 -2.43 119.26 117.27 1sgg h ALA 19 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1sgg h ALA 19 Cb -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1sgg h ALA 19 CO -0.04 0.00 -0.21 0.44 0.00 0.00 0.00 179.25 179.44 1sgg n ILE 20 N -2.43 2.41 -3.24 0.00 -5.35 -0.22 -5.00 119.36 105.52 1sgg n ILE 20 Ca 0.00 -2.86 -0.20 0.00 -0.27 0.00 0.00 62.75 59.43 1sgg n ILE 20 Cb 0.16 -0.29 0.02 0.00 -1.74 0.00 0.00 39.64 37.79 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 -1.11 -1.96 -3.28 6.28 0.00 -0.92 -4.95 118.16 112.22 1sgg n LYS 21 Ca 0.28 1.60 -0.25 0.00 0.00 0.00 0.00 58.31 59.94 1sgg n LYS 21 Cb 0.90 -3.97 -0.07 0.00 0.00 0.00 0.00 35.03 31.90 1sgg n LYS 21 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1sgg n MET 22 N -0.80 1.87 -0.80 1.64 2.81 -1.11 -4.91 117.12 115.82 1sgg n MET 22 Ca -0.03 -4.10 -0.16 0.00 -1.81 0.00 0.00 57.70 51.60 1sgg n MET 22 Cb 0.58 -1.86 0.10 0.00 -0.71 0.00 0.00 33.22 31.33 1sgg n MET 22 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1sgg n SER 23 N 0.88 4.14 -0.97 7.83 3.41 -1.26 -3.95 113.62 123.71 1sgg n SER 23 Ca 0.27 -3.04 -0.01 0.00 -0.26 0.00 0.00 58.87 55.83 1sgg n SER 23 Cb 0.47 -0.78 -0.02 0.00 -0.26 0.00 0.00 64.21 63.63 1sgg n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sgg n GLN 24 N -0.39 0.00 -1.41 4.33 6.02 -1.26 -4.90 117.38 119.77 1sgg n GLN 24 Ca 0.37 -1.13 0.04 0.00 -0.01 0.00 0.00 57.00 56.27 1sgg n GLN 24 Cb 1.09 0.06 0.05 0.00 1.02 0.00 0.00 30.24 32.46 1sgg n GLN 24 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1sgg n TYR 25 N 0.16 0.03 0.00 1.08 4.02 -1.25 -4.84 117.16 116.36 1sgg n TYR 25 Ca -0.07 -0.67 0.00 0.00 -0.01 0.00 0.00 57.90 57.15 1sgg n TYR 25 Cb 0.81 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 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 0.26 0.00 0.26 -0.72 4.01 -1.26 -2.54 118.16 118.16 1sgg n LYS 26 Ca 0.08 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 58.01 1sgg n LYS 26 Cb 1.08 -0.81 0.63 0.00 -0.51 0.00 0.00 35.03 35.43 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 0.48 1.97 4.57 -1.99 -2.97 114.58 116.64 1sgg h GLU 27 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1sgg h GLU 27 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1sgg h GLU 27 CO 0.00 0.12 -0.23 1.03 -1.18 0.00 0.00 179.01 178.75 1sgg h SER 28 N 0.00 -0.54 0.79 1.04 0.87 -1.89 -2.47 113.55 111.34 1sgg h SER 28 Ca -0.00 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1sgg h SER 28 Cb 0.54 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1sgg h SER 28 CO 0.02 -0.35 -0.08 -0.26 -0.53 0.00 0.00 176.83 175.63 1sgg h PHE 29 N -0.69 0.00 0.00 2.24 -1.00 -1.46 -2.46 116.94 113.57 1sgg h PHE 29 Ca -0.07 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 1sgg h PHE 29 Cb 0.52 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 1sgg h PHE 29 CO -0.03 0.08 -0.03 0.00 -1.61 0.00 0.00 178.31 176.71 1sgg h ALA 30 N 1.92 1.04 0.00 2.45 0.00 -1.28 -0.49 119.26 122.90 1sgg h ALA 30 Ca -0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1sgg h ALA 30 Cb 0.49 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1sgg h ALA 30 CO 0.01 0.04 -0.87 1.03 0.00 0.00 0.00 179.25 179.46 1sgg h SER 31 N 0.00 0.00 -0.46 0.00 0.87 -1.29 -3.35 113.55 109.32 1sgg h SER 31 Ca -0.00 -0.61 0.09 0.00 -1.23 0.00 0.00 61.79 60.04 1sgg h SER 31 Cb 0.36 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1sgg h SER 31 CO 0.00 1.31 0.31 0.00 -0.53 0.00 0.00 176.83 177.93 1sgg h ALA 32 N -0.39 2.13 0.00 6.23 0.00 -1.57 -3.45 119.26 122.21 1sgg h ALA 32 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sgg h ALA 32 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1sgg h ALA 32 CO -0.14 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.28 1sgg n GLY 33 N -1.55 1.72 2.59 0.00 0.00 -0.97 -5.03 105.19 101.95 1sgg n GLY 33 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.33 2.28 -0.04 1.61 3.72 -0.23 -4.06 117.46 120.41 1sgg n PHE 34 Ca 0.00 -2.33 -0.04 0.00 -0.05 0.00 0.00 57.45 55.03 1sgg n PHE 34 Cb 0.00 -1.43 -0.01 0.00 -0.94 0.00 0.00 39.48 37.09 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 0.69 0.78 -1.37 4.37 -2.24 -1.26 -4.67 114.28 110.57 1sgg n THR 35 Ca 0.53 0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 62.48 1sgg n THR 35 Cb 0.37 -1.91 0.10 0.00 -2.10 0.00 0.00 70.33 66.78 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 -3.50 0.00 -3.15 4.28 -2.24 -1.26 -1.91 114.28 106.50 1sgg n THR 36 Ca -0.07 -0.44 -0.46 0.00 -2.27 0.00 0.00 64.05 60.82 1sgg n THR 36 Cb 0.26 -1.72 -0.02 0.00 -2.10 0.00 0.00 70.33 66.75 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 -2.32 3.43 0.00 4.78 0.40 -1.26 -4.55 117.98 118.47 1sgg s PHE 37 Ca 0.35 -1.65 0.00 0.00 -0.60 0.00 0.00 56.93 55.02 1sgg s PHE 37 Cb -0.01 -4.02 0.00 0.00 0.51 0.00 0.00 43.02 39.50 1sgg s PHE 37 CO 0.25 -1.22 0.00 -0.25 0.70 0.00 0.00 175.22 174.70 1sgg n ASP 38 N 5.22 0.00 -0.09 1.36 8.00 -1.26 -4.94 116.55 124.84 1sgg n ASP 38 Ca 0.15 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.54 1sgg n ASP 38 Cb 0.47 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.10 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 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1sgg h ILE 39 CO 0.00 0.00 0.02 1.62 0.00 0.00 0.00 178.15 179.79 1sgg h VAL 40 N -0.39 0.00 -0.61 1.67 3.04 -1.81 -1.84 116.25 116.31 1sgg h VAL 40 Ca 0.11 0.00 -0.39 0.00 -1.01 0.00 0.00 66.70 65.41 1sgg h VAL 40 Cb 0.60 0.70 -0.18 0.00 -2.01 0.00 0.00 31.29 30.40 1sgg h VAL 40 CO -0.53 0.00 0.50 -1.20 -1.01 0.00 0.00 177.57 175.33 1sgg n SER 41 N -2.62 5.93 -1.15 3.17 7.64 0.26 -3.99 113.62 122.87 1sgg n SER 41 Ca -0.02 -3.18 -0.03 0.00 1.01 0.00 0.00 58.87 56.65 1sgg n SER 41 Cb 0.07 -0.95 -0.01 0.00 -1.01 0.00 0.00 64.21 62.31 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 -0.10 0.21 -1.16 1.43 6.02 -0.69 -4.54 117.38 118.54 1sgg n GLN 42 Ca 0.38 -0.58 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1sgg n GLN 42 Cb 0.76 0.43 0.00 0.00 1.02 0.00 0.00 30.24 32.44 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 -0.24 2.01 0.00 -1.09 0.00 -1.25 -5.08 117.12 111.48 1sgg n MET 43 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.56 1sgg n MET 43 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.77 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 -0.36 0.00 0.09 3.17 -2.24 -1.26 -5.01 114.28 108.67 1sgg n THR 44 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 1sgg n THR 44 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 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 0.00 1.44 -0.43 2.28 2.07 -1.98 -3.30 116.25 116.34 1sgg h VAL 45 Ca 0.00 -3.03 -0.11 0.00 0.82 0.00 0.00 66.70 64.38 1sgg h VAL 45 Cb 0.00 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 1sgg h VAL 45 CO 0.00 0.88 -0.19 -0.33 0.02 0.00 0.00 177.57 177.95 1sgg h GLU 46 N 0.07 0.83 0.00 1.57 4.39 -1.97 -2.52 114.58 116.95 1sgg h GLU 46 Ca -0.15 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 1sgg h GLU 46 Cb 1.97 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.58 1sgg h GLU 46 CO 0.19 0.96 -0.02 0.22 -1.16 0.00 0.00 179.01 179.20 1sgg h ASP 47 N 0.73 0.00 0.07 1.42 1.82 -1.96 -1.72 116.42 116.78 1sgg h ASP 47 Ca 0.11 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1sgg h ASP 47 Cb 0.71 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1sgg h ASP 47 CO 0.05 0.02 -0.03 0.40 -1.61 0.00 0.00 179.24 178.08 1sgg h ILE 48 N 0.00 0.86 0.00 2.25 2.04 -1.53 -3.27 117.51 117.87 1sgg h ILE 48 Ca -0.00 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.39 1sgg h ILE 48 Cb 0.22 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1sgg h ILE 48 CO 0.00 0.27 0.00 -0.11 0.00 0.00 0.00 178.15 178.31 1sgg n LEU 49 N -4.78 0.70 -0.03 1.44 0.00 -1.16 -2.95 117.00 110.22 1sgg n LEU 49 Ca -0.06 0.69 -0.13 0.00 0.00 0.00 0.00 56.01 56.52 1sgg n LEU 49 Cb 0.25 -0.63 -0.08 0.00 0.00 0.00 0.00 43.42 42.96 1sgg n LEU 49 CO 0.20 -0.65 0.65 -0.09 0.00 0.00 0.00 177.39 177.49 1sgg h ARG 50 N 0.00 0.14 -0.00 1.96 2.43 -1.36 -2.77 114.38 114.78 1sgg h ARG 50 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1sgg h ARG 50 Cb 0.31 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1sgg h ARG 50 CO 0.00 0.55 0.14 0.28 -1.51 0.00 0.00 179.97 179.43 1sgg h VAL 51 N -0.26 0.00 0.00 0.20 2.07 -1.59 -3.44 116.25 113.24 1sgg h VAL 51 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1sgg h VAL 51 Cb 0.52 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 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 -1.14 1.84 2.21 2.17 0.00 -1.04 -4.84 105.19 104.39 1sgg n GLY 52 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.35 3.90 0.29 1.61 0.31 -1.21 -4.55 118.33 118.34 1sgg n VAL 53 Ca 0.00 -2.25 0.18 0.00 -0.01 0.00 0.00 64.34 62.26 1sgg n VAL 53 Cb 0.00 -2.40 0.88 0.00 -0.91 0.00 0.00 33.84 31.41 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 2.66 0.17 -1.45 2.52 1.35 -1.89 -3.38 112.91 112.89 1sgg h THR 54 Ca 0.65 -0.35 -0.64 0.00 -0.55 0.00 0.00 66.41 65.52 1sgg h THR 54 Cb 0.69 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1sgg h THR 54 CO 1.27 0.04 1.45 -0.11 -0.25 0.00 0.00 175.52 177.91 1sgg n LEU 55 N -3.25 2.58 -4.59 3.87 0.00 -1.26 -4.87 117.00 109.48 1sgg n LEU 55 Ca -0.01 0.32 -0.39 0.00 0.00 0.00 0.00 56.01 55.93 1sgg n LEU 55 Cb 0.21 -1.38 0.04 0.00 0.00 0.00 0.00 43.42 42.28 1sgg n LEU 55 CO 0.26 -0.72 0.47 0.00 0.00 0.00 0.00 177.39 177.40 1sgg n ALA 56 N 10.61 -0.06 0.00 1.96 0.00 -1.26 -2.68 120.51 129.08 1sgg n ALA 56 Ca 0.37 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1sgg n ALA 56 Cb 0.32 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1sgg n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sgg n GLY 57 N 1.35 2.02 0.36 0.00 0.00 -1.26 -4.56 105.19 103.10 1sgg n GLY 57 Ca 0.12 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 0.44 -0.70 1.61 -0.00 -1.87 1.25 115.15 115.89 1sgg h HIS 58 Ca 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.33 1sgg h HIS 58 Cb 0.00 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.24 1sgg h HIS 58 CO 0.00 0.20 0.23 -0.56 -0.00 0.00 0.00 177.93 177.80 1sgg h GLN 59 N 0.41 1.09 0.00 2.45 3.07 -1.69 -2.25 115.11 118.19 1sgg h GLN 59 Ca 0.30 -0.23 -0.09 0.00 0.09 0.00 0.00 58.65 58.72 1sgg h GLN 59 Cb 0.63 -0.16 -0.02 0.00 0.08 0.00 0.00 27.48 28.02 1sgg h GLN 59 CO -0.09 0.93 -0.97 -0.22 0.09 0.00 0.00 178.83 178.57 1sgg h LYS 60 N 1.03 0.00 0.18 0.06 3.64 -1.33 -3.33 116.57 116.82 1sgg h LYS 60 Ca 0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1sgg h LYS 60 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1sgg h LYS 60 CO -0.01 0.22 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.08 1sgg h LYS 61 N 0.00 -0.24 -0.20 1.90 3.11 0.18 -2.44 116.57 118.87 1sgg h LYS 61 Ca -0.07 0.02 0.05 0.00 -2.81 0.00 0.00 60.65 57.84 1sgg h LYS 61 Cb 1.32 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.60 1sgg h LYS 61 CO 0.03 -0.04 0.14 0.82 -2.81 0.00 0.00 179.45 177.59 1sgg h ILE 62 N -0.39 0.92 -0.42 2.00 1.08 -1.56 -2.70 117.51 116.44 1sgg h ILE 62 Ca -0.03 -0.01 0.08 0.00 -0.39 0.00 0.00 64.86 64.51 1sgg h ILE 62 Cb 0.30 0.88 -0.09 0.00 -3.07 0.00 0.00 36.82 34.84 1sgg h ILE 62 CO 0.04 0.01 -0.36 0.25 -0.69 0.00 0.00 178.15 177.40 1sgg h LEU 63 N 0.04 -1.19 -2.09 1.44 6.46 -1.54 0.65 115.31 119.08 1sgg h LEU 63 Ca 0.09 0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1sgg h LEU 63 Cb 0.32 0.55 -0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1sgg h LEU 63 CO -0.01 -0.33 -0.04 -1.13 -0.62 0.00 0.00 178.44 176.31 1sgg h ASN 64 N -0.27 0.00 1.38 1.25 -1.24 -1.54 -1.61 115.58 113.55 1sgg h ASN 64 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1sgg h ASN 64 Cb 0.55 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.60 1sgg h ASN 64 CO -0.56 0.04 0.00 0.28 -1.29 0.00 0.00 177.43 175.89 1sgg h SER 65 N 0.00 0.00 1.11 1.15 0.02 0.30 -2.91 113.55 113.22 1sgg h SER 65 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sgg h SER 65 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1sgg h SER 65 CO 0.00 0.00 0.00 0.40 -1.14 0.00 0.00 176.83 176.09 1sgg h ILE 66 N 0.00 0.00 0.06 3.27 1.08 -0.35 -3.02 117.51 118.55 1sgg h ILE 66 Ca 0.00 -0.50 -0.25 0.00 -0.39 0.00 0.00 64.86 63.73 1sgg h ILE 66 Cb 0.69 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.85 1sgg h ILE 66 CO 0.00 0.00 -1.16 1.56 -0.69 0.00 0.00 178.15 177.86 1sgg h GLN 67 N 0.00 0.13 -0.01 2.37 4.20 -1.65 -3.22 115.11 116.93 1sgg h GLN 67 Ca 0.00 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1sgg h GLN 67 Cb 0.55 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1sgg h GLN 67 CO 0.00 1.08 0.16 -0.39 -0.67 0.00 0.00 178.83 179.01 1sgg h VAL 68 N 0.03 0.02 0.00 -0.54 -1.51 -1.65 0.24 116.25 112.84 1sgg h VAL 68 Ca -0.09 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.26 1sgg h VAL 68 Cb 1.88 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.86 1sgg h VAL 68 CO 0.16 0.00 -0.90 0.23 -1.23 0.00 0.00 177.57 175.83 1sgg n MET 69 N -3.02 0.51 0.29 5.19 2.81 -1.22 -4.02 117.12 117.66 1sgg n MET 69 Ca -0.02 0.55 0.17 0.00 -1.81 0.00 0.00 57.70 56.59 1sgg n MET 69 Cb 0.22 -1.72 0.88 0.00 -0.71 0.00 0.00 33.22 31.90 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 0.26 0.03 2.47 -1.52 -1.38 114.38 113.24 1sgg h ARG 70 Ca -0.18 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.53 1sgg h ARG 70 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.23 1sgg h ARG 70 CO -0.11 0.05 -0.13 0.00 0.56 0.00 0.00 179.97 180.34 1sgg h ALA 71 N 1.95 -0.35 0.00 0.04 0.00 -0.69 -3.03 119.26 117.18 1sgg h ALA 71 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1sgg h ALA 71 Cb 0.27 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1sgg h ALA 71 CO 0.01 -0.62 -0.12 -0.56 0.00 0.00 0.00 179.25 177.96 1sgg h GLN 72 N -0.52 0.00 0.00 0.00 3.07 -1.66 -3.51 115.11 112.49 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 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1sgg h GLN 72 CO 0.06 0.08 0.00 -1.33 0.09 0.00 0.00 178.83 177.73