#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 3.36 -1.02 -3.48 -2.24 -1.26 -3.95 114.28 105.69 1sgg n THR 8 Ca 0.00 -1.94 0.02 0.00 -2.27 0.00 0.00 64.05 59.87 1sgg n THR 8 Cb 0.00 -2.09 0.03 0.00 -2.10 0.00 0.00 70.33 66.18 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 2.54 1.08 -4.84 3.42 7.64 -1.26 -5.06 113.62 117.14 1sgg n SER 9 Ca 0.51 -2.02 -0.31 0.00 1.01 0.00 0.00 58.87 58.06 1sgg n SER 9 Cb 0.73 -0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.97 3.35 -0.10 1.43 0.08 -1.25 -5.02 117.98 115.51 1sgg s PHE 10 Ca 0.08 0.17 0.08 0.00 0.12 0.00 0.00 56.93 57.38 1sgg s PHE 10 Cb 0.07 -1.70 -0.24 0.00 -0.57 0.00 0.00 43.02 40.58 1sgg s PHE 10 CO 0.01 0.56 0.46 0.09 -0.10 0.00 0.00 175.22 176.24 1sgg n ASN 11 N 0.47 1.11 -3.26 1.36 4.13 -1.26 -5.01 115.26 112.80 1sgg n ASN 11 Ca -0.08 0.28 -0.08 0.00 1.68 0.00 0.00 54.58 56.38 1sgg n ASN 11 Cb 0.51 -0.12 0.01 0.00 -1.54 0.00 0.00 39.78 38.64 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 -2.57 0.00 0.58 3.41 -4.23 -1.26 -4.91 115.64 106.66 1sgg s THR 12 Ca -0.11 -0.97 0.29 0.00 -1.18 0.00 0.00 61.69 59.72 1sgg s THR 12 Cb 0.07 -2.59 0.40 0.00 1.34 0.00 0.00 72.50 71.73 1sgg s THR 12 CO 0.80 0.00 1.84 0.58 -0.54 0.00 0.00 174.62 177.30 1sgg h VAL 13 N 2.00 0.35 -0.57 2.29 2.07 -1.76 0.21 116.25 120.84 1sgg h VAL 13 Ca -0.28 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 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 0.35 0.00 0.23 -0.78 0.02 0.00 0.00 177.57 177.39 1sgg h ASP 14 N 0.00 0.78 1.49 0.57 1.82 -1.93 0.30 116.42 119.45 1sgg h ASP 14 Ca 0.27 -0.17 -0.06 0.00 -0.39 0.00 0.00 57.03 56.69 1sgg h ASP 14 Cb 1.42 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.22 1sgg h ASP 14 CO -0.00 0.73 -0.27 -0.33 -1.61 0.00 0.00 179.24 177.76 1sgg h GLU 15 N 0.78 0.00 0.00 0.28 4.39 -1.00 -2.95 114.58 116.08 1sgg h GLU 15 Ca 0.19 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1sgg h GLU 15 Cb 0.19 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1sgg h GLU 15 CO -0.02 0.27 -0.16 2.35 -1.16 0.00 0.00 179.01 180.30 1sgg h TRP 16 N 0.00 0.00 -0.05 4.33 7.01 -0.88 -3.31 115.95 123.06 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 1.09 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.15 1sgg h TRP 16 CO 0.00 0.53 0.09 -0.07 -2.79 0.00 0.00 178.44 176.20 1sgg h LEU 17 N -1.00 0.00 -1.26 0.65 3.38 -0.54 -0.54 115.31 116.00 1sgg h LEU 17 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1sgg h LEU 17 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1sgg h LEU 17 CO -0.02 0.00 -0.06 -0.78 0.09 0.00 0.00 178.44 177.67 1sgg h ASP 18 N 0.00 0.40 -0.09 -0.43 3.58 -1.60 -1.65 116.42 116.64 1sgg h ASP 18 Ca 0.02 -0.08 -0.12 0.00 0.42 0.00 0.00 57.03 57.27 1sgg h ASP 18 Cb 0.20 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1sgg h ASP 18 CO -0.00 0.52 -0.35 0.00 -2.88 0.00 0.00 179.24 176.52 1sgg h ALA 19 N 1.53 0.89 -0.44 -0.78 0.00 -1.20 -2.73 119.26 116.53 1sgg h ALA 19 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1sgg h ALA 19 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1sgg h ALA 19 CO 0.02 0.63 0.00 0.44 0.00 0.00 0.00 179.25 180.34 1sgg n ILE 20 N -4.06 1.60 -3.12 0.00 -5.35 -0.94 -4.96 119.36 102.53 1sgg n ILE 20 Ca -0.01 -0.91 -0.16 0.00 -0.27 0.00 0.00 62.75 61.40 1sgg n ILE 20 Cb 0.49 -0.14 0.02 0.00 -1.74 0.00 0.00 39.64 38.26 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 0.61 -2.06 -2.21 6.28 5.02 -0.77 -4.95 118.16 120.08 1sgg n LYS 21 Ca 0.19 1.76 -0.13 0.00 -2.02 0.00 0.00 58.31 58.11 1sgg n LYS 21 Cb 0.79 -4.50 0.04 0.00 -0.02 0.00 0.00 35.03 31.34 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 -0.64 2.76 -0.10 1.97 2.81 -0.69 -4.85 117.12 118.38 1sgg n MET 22 Ca 0.02 -3.84 0.27 0.00 -1.81 0.00 0.00 57.70 52.34 1sgg n MET 22 Cb 0.54 -1.95 0.69 0.00 -0.71 0.00 0.00 33.22 31.79 1sgg n MET 22 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1sgg h SER 23 N 2.23 0.00 -0.64 7.83 4.64 -1.92 0.53 113.55 126.21 1sgg h SER 23 Ca 0.16 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.19 1sgg h SER 23 Cb 1.43 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.35 1sgg h SER 23 CO 0.50 0.00 0.37 0.00 -0.87 0.00 0.00 176.83 176.84 1sgg n GLN 24 N -3.80 2.23 -0.37 4.77 1.13 -1.26 -3.97 117.38 116.10 1sgg n GLN 24 Ca 0.16 -2.12 0.00 0.00 -1.94 0.00 0.00 57.00 53.11 1sgg n GLN 24 Cb 0.99 -1.86 0.00 0.00 0.11 0.00 0.00 30.24 29.48 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 -0.44 0.00 0.00 1.08 4.02 0.18 -4.83 117.16 117.18 1sgg n TYR 25 Ca 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.27 1sgg n TYR 25 Cb 1.24 0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.58 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 0.00 0.00 0.24 -0.72 4.01 -1.23 -2.73 118.16 117.73 1sgg n LYS 26 Ca 0.00 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 57.93 1sgg n LYS 26 Cb 0.62 -0.83 0.48 0.00 -0.51 0.00 0.00 35.03 34.79 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 -0.62 1.97 5.08 -1.94 -3.16 114.58 115.92 1sgg h GLU 27 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1sgg h GLU 27 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1sgg h GLU 27 CO 0.00 0.09 0.31 0.77 -1.00 0.00 0.00 179.01 179.18 1sgg h SER 28 N 0.00 0.80 0.41 1.42 0.02 -1.88 -1.86 113.55 112.46 1sgg h SER 28 Ca -0.00 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1sgg h SER 28 Cb 0.73 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1sgg h SER 28 CO 0.01 0.69 -0.11 -0.26 -1.14 0.00 0.00 176.83 176.02 1sgg h PHE 29 N 0.85 0.00 0.00 3.45 -1.00 -1.47 -1.92 116.94 116.84 1sgg h PHE 29 Ca 0.21 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.98 1sgg h PHE 29 Cb 0.09 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.65 1sgg h PHE 29 CO -0.00 0.11 -0.05 0.00 -1.61 0.00 0.00 178.31 176.76 1sgg h ALA 30 N 1.89 1.10 -0.23 2.45 0.00 -1.43 -0.57 119.26 122.46 1sgg h ALA 30 Ca -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1sgg h ALA 30 Cb 0.35 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sgg h ALA 30 CO 0.01 0.06 -0.22 1.03 0.00 0.00 0.00 179.25 180.14 1sgg h SER 31 N 0.00 0.59 1.10 0.00 0.87 -1.38 -3.11 113.55 111.63 1sgg h SER 31 Ca -0.00 -0.47 -0.10 0.00 -1.23 0.00 0.00 61.79 59.99 1sgg h SER 31 Cb 0.31 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1sgg h SER 31 CO 0.01 0.94 -0.47 0.00 -0.53 0.00 0.00 176.83 176.78 1sgg h ALA 32 N 0.67 0.82 0.00 6.23 0.00 -1.63 -3.47 119.26 121.89 1sgg h ALA 32 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1sgg h ALA 32 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sgg h ALA 32 CO 0.06 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1sgg n GLY 33 N 0.69 1.69 2.59 0.00 0.00 -0.93 -5.03 105.19 104.21 1sgg n GLY 33 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.37 2.48 -0.10 1.61 3.72 -0.27 -4.29 117.46 120.26 1sgg n PHE 34 Ca 0.00 -2.48 -0.14 0.00 -0.05 0.00 0.00 57.45 54.78 1sgg n PHE 34 Cb 0.00 -1.46 -0.05 0.00 -0.94 0.00 0.00 39.48 37.03 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 1.49 -1.67 4.37 -2.24 -1.26 -4.49 114.28 111.17 1sgg n THR 35 Ca 0.54 0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 62.15 1sgg n THR 35 Cb 0.31 -2.22 0.13 0.00 -2.10 0.00 0.00 70.33 66.46 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 -4.45 0.00 -1.13 4.28 -2.24 -1.26 -2.70 114.28 106.77 1sgg n THR 36 Ca -0.24 -0.67 -0.23 0.00 -2.27 0.00 0.00 64.05 60.64 1sgg n THR 36 Cb 0.56 -1.63 0.03 0.00 -2.10 0.00 0.00 70.33 67.19 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 -3.15 1.98 0.00 4.78 3.72 -1.26 -4.38 117.46 119.14 1sgg n PHE 37 Ca 0.11 -2.21 0.00 0.00 -0.05 0.00 0.00 57.45 55.30 1sgg n PHE 37 Cb 0.38 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.77 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 0.13 0.00 -0.39 4.37 9.92 -1.26 -4.84 116.55 124.48 1sgg n ASP 38 Ca 0.41 0.00 0.38 0.00 -0.53 0.00 0.00 54.79 55.05 1sgg n ASP 38 Cb 0.58 0.00 0.68 0.00 -0.64 0.00 0.00 41.12 41.74 1sgg n ASP 38 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1sgg h ILE 39 N 0.00 0.13 0.00 0.53 2.04 -1.80 0.96 117.51 119.37 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 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 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 -0.85 1.67 2.07 -1.76 -2.53 116.25 114.84 1sgg h VAL 40 Ca 0.64 -0.12 -0.54 0.00 0.82 0.00 0.00 66.70 67.50 1sgg h VAL 40 Cb 2.90 0.89 -0.22 0.00 -1.52 0.00 0.00 31.29 33.33 1sgg h VAL 40 CO -0.01 0.00 0.69 -1.54 0.02 0.00 0.00 177.57 176.73 1sgg n SER 41 N -2.64 7.17 -2.70 0.57 3.41 0.33 -4.29 113.62 115.47 1sgg n SER 41 Ca -0.01 -3.48 -0.05 0.00 -0.26 0.00 0.00 58.87 55.07 1sgg n SER 41 Cb 0.12 -1.03 0.10 0.00 -0.26 0.00 0.00 64.21 63.15 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 -0.32 1.31 -3.86 4.33 -0.06 -0.95 -4.71 117.38 113.11 1sgg n GLN 42 Ca 0.49 -1.98 -0.10 0.00 -2.00 0.00 0.00 57.00 53.41 1sgg n GLN 42 Cb 0.60 -0.21 -0.08 0.00 -4.06 0.00 0.00 30.24 26.49 1sgg n GLN 42 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1sgg s MET 43 N -0.69 0.74 0.00 3.69 0.23 -1.26 -5.11 119.30 116.90 1sgg s MET 43 Ca 0.19 -0.78 0.00 0.00 -1.03 0.00 0.00 55.69 54.07 1sgg s MET 43 Cb 0.42 0.30 0.00 0.00 -1.53 0.00 0.00 34.83 34.02 1sgg s MET 43 CO -0.08 -0.22 0.00 0.25 -2.03 0.00 0.00 175.02 172.94 1sgg n THR 44 N 0.40 0.00 0.28 3.16 -2.24 -1.26 -4.97 114.28 109.65 1sgg n THR 44 Ca -0.17 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1sgg n THR 44 Cb 0.60 -0.14 0.79 0.00 -2.10 0.00 0.00 70.33 69.48 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 0.40 0.58 0.06 2.28 3.04 -1.99 -2.82 116.25 117.80 1sgg h VAL 45 Ca 0.00 -0.32 -0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1sgg h VAL 45 Cb 0.00 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 1sgg h VAL 45 CO 0.00 0.07 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.27 1sgg h GLU 46 N 0.00 -0.08 -0.31 4.17 5.08 -1.99 -2.70 114.58 118.75 1sgg h GLU 46 Ca -0.00 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1sgg h GLU 46 Cb 0.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1sgg h GLU 46 CO 0.01 0.25 0.33 -0.44 -1.00 0.00 0.00 179.01 178.16 1sgg h ASP 47 N -0.42 0.00 0.22 1.42 5.19 -1.87 -2.01 116.42 118.95 1sgg h ASP 47 Ca -0.01 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1sgg h ASP 47 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1sgg h ASP 47 CO 0.01 0.00 -0.11 0.40 -3.12 0.00 0.00 179.24 176.43 1sgg h ILE 48 N 0.00 0.83 0.00 0.35 2.04 -1.46 -1.99 117.51 117.28 1sgg h ILE 48 Ca 0.15 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1sgg h ILE 48 Cb 0.80 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1sgg h ILE 48 CO -0.00 0.17 0.08 0.25 0.00 0.00 0.00 178.15 178.64 1sgg h LEU 49 N -0.74 0.00 0.05 1.44 5.85 -1.26 -2.13 115.31 118.52 1sgg h LEU 49 Ca -0.03 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.54 1sgg h LEU 49 Cb 0.50 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1sgg h LEU 49 CO 0.05 0.00 -0.74 -0.09 -0.34 0.00 0.00 178.44 177.32 1sgg h ARG 50 N 0.00 0.11 -0.05 1.25 2.43 -1.26 -3.29 114.38 113.56 1sgg h ARG 50 Ca 0.00 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1sgg h ARG 50 Cb 0.16 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1sgg h ARG 50 CO 0.00 1.09 0.23 0.28 -1.51 0.00 0.00 179.97 180.06 1sgg h VAL 51 N -0.73 0.09 0.00 0.20 2.07 -0.74 -3.44 116.25 113.71 1sgg h VAL 51 Ca -0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1sgg h VAL 51 Cb 1.35 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1sgg h VAL 51 CO -0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.19 1sgg n GLY 52 N -1.22 1.96 2.38 2.17 0.00 -1.13 -4.74 105.19 104.60 1sgg n GLY 52 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.24 3.31 0.29 1.61 0.31 -0.90 -4.61 118.33 118.10 1sgg n VAL 53 Ca 0.00 -2.89 0.18 0.00 -0.01 0.00 0.00 64.34 61.62 1sgg n VAL 53 Cb 0.00 -1.35 0.98 0.00 -0.91 0.00 0.00 33.84 32.56 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 1.49 0.27 -2.14 2.52 1.35 -1.83 -3.40 112.91 111.16 1sgg h THR 54 Ca 0.46 0.00 -0.58 0.00 -0.55 0.00 0.00 66.41 65.74 1sgg h THR 54 Cb 0.65 0.90 0.02 0.00 -1.73 0.00 0.00 68.15 67.99 1sgg h THR 54 CO 1.14 0.00 1.18 -0.11 -0.25 0.00 0.00 175.52 177.49 1sgg n LEU 55 N -3.45 3.73 -4.65 3.87 0.00 -1.26 -4.93 117.00 110.30 1sgg n LEU 55 Ca -0.01 0.90 -0.30 0.00 0.00 0.00 0.00 56.01 56.59 1sgg n LEU 55 Cb 0.20 -1.44 0.17 0.00 0.00 0.00 0.00 43.42 42.35 1sgg n LEU 55 CO 0.23 0.02 0.65 0.00 0.00 0.00 0.00 177.39 178.29 1sgg s ALA 56 N 4.52 1.18 0.00 1.96 0.00 -1.26 -2.68 121.76 125.48 1sgg s ALA 56 Ca 0.92 0.37 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1sgg s ALA 56 Cb -0.57 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1sgg s ALA 56 CO 0.47 -2.83 0.00 0.41 0.00 0.00 0.00 175.76 173.80 1sgg n GLY 57 N 0.06 1.01 0.37 0.00 0.00 -1.26 -4.32 105.19 101.05 1sgg n GLY 57 Ca 0.09 -0.02 0.13 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 0.74 -0.82 1.61 -0.00 -1.92 0.46 115.15 115.22 1sgg h HIS 58 Ca 0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1sgg h HIS 58 Cb 0.00 -0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 27.14 1sgg h HIS 58 CO 0.00 0.27 0.37 -0.56 -0.00 0.00 0.00 177.93 178.01 1sgg h GLN 59 N 0.62 1.19 0.00 2.45 3.07 -1.70 -2.32 115.11 118.43 1sgg h GLN 59 Ca 0.43 -0.19 -0.10 0.00 0.09 0.00 0.00 58.65 58.89 1sgg h GLN 59 Cb 0.77 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 28.11 1sgg h GLN 59 CO -0.19 0.93 -0.56 -0.22 0.09 0.00 0.00 178.83 178.89 1sgg h LYS 60 N 1.17 0.00 0.46 0.06 3.64 -1.22 -3.24 116.57 117.45 1sgg h LYS 60 Ca 0.28 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1sgg h LYS 60 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1sgg h LYS 60 CO -0.03 0.40 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.11 1sgg h LYS 61 N 0.00 -0.60 0.00 1.90 3.11 0.34 -2.22 116.57 119.10 1sgg h LYS 61 Ca -0.02 0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1sgg h LYS 61 Cb 1.35 0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 32.72 1sgg h LYS 61 CO 0.05 -0.35 -0.02 0.82 -2.81 0.00 0.00 179.45 177.14 1sgg h ILE 62 N -0.72 0.14 -0.25 2.00 2.04 -1.59 -2.94 117.51 116.19 1sgg h ILE 62 Ca -0.06 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.68 1sgg h ILE 62 Cb 0.52 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 1sgg h ILE 62 CO 0.10 0.02 -0.27 0.25 0.00 0.00 0.00 178.15 178.26 1sgg h LEU 63 N 0.00 -0.85 -1.37 1.44 7.12 -1.42 0.43 115.31 120.66 1sgg h LEU 63 Ca -0.00 0.15 -0.03 0.00 0.13 0.00 0.00 57.88 58.13 1sgg h LEU 63 Cb 0.15 0.39 -0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1sgg h LEU 63 CO 0.00 -0.30 -0.15 -1.13 -0.13 0.00 0.00 178.44 176.74 1sgg h ASN 64 N -0.27 0.00 0.10 1.25 -0.00 -1.59 -3.20 115.58 111.87 1sgg h ASN 64 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.43 1sgg h ASN 64 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.81 1sgg h ASN 64 CO -0.40 0.15 -0.05 0.28 -0.00 0.00 0.00 177.43 177.41 1sgg h SER 65 N 0.00 -0.12 -0.56 1.15 0.02 -0.80 -3.17 113.55 110.07 1sgg h SER 65 Ca -0.00 -0.45 0.16 0.00 -0.84 0.00 0.00 61.79 60.67 1sgg h SER 65 Cb 0.61 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1sgg h SER 65 CO 0.02 0.51 0.66 0.40 -1.14 0.00 0.00 176.83 177.28 1sgg h ILE 66 N -0.88 0.24 0.00 3.27 2.04 -0.28 0.88 117.51 122.78 1sgg h ILE 66 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1sgg h ILE 66 Cb 0.56 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1sgg h ILE 66 CO 0.02 0.00 -0.04 1.56 0.00 0.00 0.00 178.15 179.70 1sgg h GLN 67 N 0.00 0.00 -0.08 2.37 4.20 -1.55 -3.09 115.11 116.95 1sgg h GLN 67 Ca 0.27 0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.00 1sgg h GLN 67 Cb 1.58 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.36 1sgg h GLN 67 CO -0.00 0.04 0.25 -0.39 -0.67 0.00 0.00 178.83 178.05 1sgg h VAL 68 N 0.00 0.14 0.00 -0.54 -1.51 0.73 -1.81 116.25 113.26 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 0.75 0.77 -0.02 0.00 -2.13 0.00 0.00 31.29 30.66 1sgg h VAL 68 CO 0.00 0.00 -0.90 0.23 -1.23 0.00 0.00 177.57 175.67 1sgg n MET 69 N -3.21 0.51 0.22 5.19 2.81 -1.17 -3.97 117.12 117.50 1sgg n MET 69 Ca -0.00 0.55 0.17 0.00 -1.81 0.00 0.00 57.70 56.61 1sgg n MET 69 Cb 0.33 -1.72 0.76 0.00 -0.71 0.00 0.00 33.22 31.89 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 0.24 0.03 1.12 -1.60 1.21 114.38 114.37 1sgg h ARG 70 Ca -0.18 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.68 1sgg h ARG 70 Cb 0.91 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.87 1sgg h ARG 70 CO -0.11 0.00 -0.11 0.00 -3.11 0.00 0.00 179.97 176.64 1sgg h ALA 71 N 1.37 -0.32 0.00 2.80 0.00 -1.49 -3.33 119.26 118.29 1sgg h ALA 71 Ca 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1sgg h ALA 71 Cb 0.90 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1sgg h ALA 71 CO -0.00 -0.41 -1.12 0.00 0.00 0.00 0.00 179.25 177.72 1sgg n GLN 72 N -5.01 0.61 0.00 0.00 10.64 -0.74 -5.14 117.38 117.74 1sgg n GLN 72 Ca -0.08 0.15 0.14 0.00 -1.83 0.00 0.00 57.00 55.38 1sgg n GLN 72 Cb 0.26 -1.82 0.85 0.00 -0.86 0.00 0.00 30.24 28.67 1sgg n GLN 72 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90