#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gac s GLU 5 N 1.08 2.95 -0.20 0.00 2.02 0.25 -1.36 118.70 123.44 3gac s GLU 5 Ca 0.03 -1.07 -0.16 0.00 0.02 0.00 0.00 54.97 53.78 3gac s GLU 5 Cb -0.20 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 3gac s GLU 5 CO -0.05 -0.78 0.42 -1.17 0.02 0.00 0.00 175.26 173.71 3gac s LEU 6 N 1.66 4.15 -0.16 1.80 2.96 -0.11 -0.89 118.68 128.10 3gac s LEU 6 Ca 0.05 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 3gac s LEU 6 Cb -0.20 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 43.96 3gac s LEU 6 CO 0.09 -0.10 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.19 3gac s ILE 7 N 1.36 2.00 -0.01 6.68 1.01 0.86 -0.33 121.20 132.78 3gac s ILE 7 Ca 0.20 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.74 3gac s ILE 7 Cb -0.15 -1.79 0.03 0.00 0.01 0.00 0.00 42.46 40.56 3gac s ILE 7 CO 0.08 0.53 0.39 0.28 0.00 0.00 0.00 174.94 176.23 3gac s THR 8 N 1.06 0.05 -1.23 2.92 -1.32 -0.69 -0.64 115.64 115.80 3gac s THR 8 Ca -0.01 -0.39 0.16 0.00 -1.21 0.00 0.00 61.69 60.24 3gac s THR 8 Cb -0.14 -0.74 0.64 0.00 -1.51 0.00 0.00 72.50 70.74 3gac s THR 8 CO -0.07 -0.21 1.53 -0.46 -2.21 0.00 0.00 174.62 173.19 3gac n ASN 9 N 1.09 4.23 -4.71 8.08 0.23 -1.17 0.12 115.26 123.14 3gac n ASN 9 Ca -0.21 -2.38 -0.36 0.00 -0.53 0.00 0.00 54.58 51.11 3gac n ASN 9 Cb 0.57 -0.54 -0.08 0.00 -2.08 0.00 0.00 39.78 37.65 3gac n ASN 9 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3gac s ILE 10 N -1.79 5.35 -0.23 1.53 1.01 -1.26 -4.87 121.20 120.94 3gac s ILE 10 Ca 0.45 0.33 -0.06 0.00 0.00 0.00 0.00 60.65 61.37 3gac s ILE 10 Cb 0.29 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3gac s ILE 10 CO 0.22 0.38 0.03 -0.55 0.00 0.00 0.00 174.94 175.03 3gac s SER 11 N 0.63 4.96 0.07 3.58 0.15 -1.26 -4.88 113.70 116.95 3gac s SER 11 Ca 0.11 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.57 3gac s SER 11 Cb -0.12 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 3gac s SER 11 CO 0.02 0.01 -0.08 0.27 1.20 0.00 0.00 173.24 174.66 3gac s ILE 12 N 1.34 0.69 0.84 6.45 -4.36 -1.26 -5.15 121.20 119.75 3gac s ILE 12 Ca 0.05 -1.41 -0.13 0.00 -0.26 0.00 0.00 60.65 58.90 3gac s ILE 12 Cb -0.15 -1.04 0.07 0.00 1.25 0.00 0.00 42.46 42.59 3gac s ILE 12 CO 0.02 -0.52 0.97 -2.65 0.24 0.00 0.00 174.94 173.00 3gac n PRO 13 N 0.92 0.02 -0.20 0.37 -0.02 -1.26 -4.61 135.00 130.21 3gac n PRO 13 Ca -0.19 0.08 -0.01 0.00 -2.02 0.00 0.00 63.50 61.36 3gac n PRO 13 Cb 0.57 -2.25 0.10 0.00 -0.02 0.00 0.00 33.50 31.90 3gac n PRO 13 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3gac h ASP 14 N -1.10 0.26 -0.47 2.55 3.32 -2.01 -0.48 116.42 118.48 3gac h ASP 14 Ca -0.45 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 3gac h ASP 14 Cb 1.30 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 3gac h ASP 14 CO 0.43 0.16 0.16 -2.24 -1.72 0.00 0.00 179.24 176.03 3gac h ASP 15 N 0.43 0.73 0.28 6.45 2.03 -1.99 0.54 116.42 124.89 3gac h ASP 15 Ca 0.29 -0.11 -0.21 0.00 -0.73 0.00 0.00 57.03 56.27 3gac h ASP 15 Cb 0.34 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 3gac h ASP 15 CO -0.28 0.70 -0.86 0.11 -1.03 0.00 0.00 179.24 177.87 3gac h LYS 16 N 0.77 0.44 -0.32 4.15 1.79 -1.70 -0.43 116.57 121.26 3gac h LYS 16 Ca 0.18 -0.42 0.03 0.00 -2.18 0.00 0.00 60.65 58.25 3gac h LYS 16 Cb 0.24 0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 3gac h LYS 16 CO -0.01 1.07 0.14 0.00 -1.08 0.00 0.00 179.45 179.58 3gac h ALA 17 N 0.79 0.39 -0.55 3.86 0.00 -0.71 -1.59 119.26 121.44 3gac h ALA 17 Ca -0.06 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3gac h ALA 17 Cb 1.48 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 3gac h ALA 17 CO 0.15 -0.24 0.33 1.96 0.00 0.00 0.00 179.25 181.45 3gac h GLN 18 N 0.31 0.62 -0.45 0.00 1.08 -0.76 -1.54 115.11 114.37 3gac h GLN 18 Ca 0.14 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.31 3gac h GLN 18 Cb 0.07 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 3gac h GLN 18 CO -0.11 0.41 0.29 -0.97 -0.95 0.00 0.00 178.83 177.50 3gac h ASN 19 N 0.64 0.49 -0.46 1.46 -1.24 -0.87 0.11 115.58 115.70 3gac h ASN 19 Ca 0.23 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.21 3gac h ASN 19 Cb 0.05 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 3gac h ASN 19 CO -0.11 0.35 0.22 0.00 -1.29 0.00 0.00 177.43 176.60 3gac h ALA 20 N 1.18 0.60 -0.72 1.57 0.00 -1.05 -2.21 119.26 118.63 3gac h ALA 20 Ca 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3gac h ALA 20 Cb -0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3gac h ALA 20 CO -0.06 0.17 0.28 -0.07 0.00 0.00 0.00 179.25 179.57 3gac h LEU 21 N 0.60 0.97 -0.59 0.00 3.38 -0.97 -2.33 115.31 116.38 3gac h LEU 21 Ca 0.16 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3gac h LEU 21 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3gac h LEU 21 CO -0.02 0.87 0.38 -1.28 0.09 0.00 0.00 178.44 178.48 3gac h SER 22 N 1.04 0.64 -0.72 -0.43 0.87 -0.46 -0.02 113.55 114.47 3gac h SER 22 Ca 0.24 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 3gac h SER 22 Cb 0.20 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 3gac h SER 22 CO -0.02 0.46 0.19 -0.33 -0.53 0.00 0.00 176.83 176.60 3gac h GLU 23 N 0.76 1.15 -0.59 2.24 4.39 -1.18 -2.05 114.58 119.31 3gac h GLU 23 Ca 0.22 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3gac h GLU 23 Cb -0.05 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 3gac h GLU 23 CO -0.07 1.00 0.21 0.82 -1.16 0.00 0.00 179.01 179.82 3gac h ILE 24 N 1.09 1.23 -0.80 3.13 2.04 -1.07 -1.84 117.51 121.30 3gac h ILE 24 Ca 0.23 -0.76 0.06 0.00 1.00 0.00 0.00 64.86 65.40 3gac h ILE 24 Cb 0.36 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 3gac h ILE 24 CO 0.00 0.29 0.48 -0.33 0.00 0.00 0.00 178.15 178.59 3gac h GLU 25 N 0.82 0.84 -0.45 2.37 5.08 -0.72 -0.45 114.58 122.07 3gac h GLU 25 Ca 0.19 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3gac h GLU 25 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3gac h GLU 25 CO -0.01 0.55 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.04 3gac h ASP 26 N 0.86 0.83 -0.18 1.42 3.32 -1.12 0.96 116.42 122.52 3gac h ASP 26 Ca 0.35 -0.34 0.04 0.00 0.02 0.00 0.00 57.03 57.10 3gac h ASP 26 Cb 0.20 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3gac h ASP 26 CO -0.18 0.98 -0.05 0.00 -1.72 0.00 0.00 179.24 178.27 3gac h ALA 27 N 0.88 0.12 -0.30 3.45 0.00 -0.97 0.17 119.26 122.62 3gac h ALA 27 Ca 0.12 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3gac h ALA 27 Cb 0.60 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3gac h ALA 27 CO 0.04 -0.48 0.06 0.82 0.00 0.00 0.00 179.25 179.69 3gac h ILE 28 N 0.00 0.86 -0.47 0.00 2.04 -0.87 -0.96 117.51 118.10 3gac h ILE 28 Ca 0.09 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.92 3gac h ILE 28 Cb 0.13 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3gac h ILE 28 CO -0.19 0.03 0.26 -1.28 0.00 0.00 0.00 178.15 176.97 3gac h SER 29 N 0.16 0.41 -0.28 1.72 0.87 -0.50 0.76 113.55 116.69 3gac h SER 29 Ca 0.14 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3gac h SER 29 Cb 0.15 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3gac h SER 29 CO -0.18 0.29 0.16 -1.13 -0.53 0.00 0.00 176.83 175.44 3gac h ASN 30 N 0.52 0.27 0.08 6.23 -1.24 -0.23 -0.95 115.58 120.26 3gac h ASN 30 Ca 0.20 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.08 3gac h ASN 30 Cb 0.06 -0.06 0.01 0.00 0.73 0.00 0.00 38.32 39.07 3gac h ASN 30 CO -0.11 0.20 -0.54 0.58 -1.29 0.00 0.00 177.43 176.27 3gac h VAL 31 N 0.34 1.57 0.00 2.57 2.07 -0.99 -3.35 116.25 118.46 3gac h VAL 31 Ca 0.11 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.26 3gac h VAL 31 Cb -0.01 3.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 3gac h VAL 31 CO -0.05 0.66 -0.28 -0.07 0.02 0.00 0.00 177.57 177.85 3gac h LEU 32 N -0.50 0.00 0.51 2.57 3.38 -0.94 -3.48 115.31 116.85 3gac h LEU 32 Ca -0.09 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.62 3gac h LEU 32 Cb 1.38 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.06 3gac h LEU 32 CO 0.10 0.04 -0.18 0.61 0.09 0.00 0.00 178.44 179.10 3gac n GLY 33 N 1.29 0.99 3.44 0.83 0.00 -0.36 -4.99 105.19 106.38 3gac n GLY 33 Ca 0.04 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 3gac n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gac s LYS 34 N -2.92 3.61 0.79 1.61 1.02 -1.21 -5.05 119.74 117.60 3gac s LYS 34 Ca 0.00 -0.52 -0.11 0.00 0.02 0.00 0.00 55.97 55.36 3gac s LYS 34 Cb 0.00 -3.11 0.07 0.00 -0.52 0.00 0.00 37.83 34.27 3gac s LYS 34 CO 0.00 -0.02 1.09 -1.25 -0.92 0.00 0.00 175.35 174.25 3gac s PRO 35 N 1.10 2.11 0.62 -1.68 0.04 -1.26 -4.07 135.00 131.86 3gac s PRO 35 Ca 0.03 1.04 0.33 0.00 0.04 0.00 0.00 61.00 62.43 3gac s PRO 35 Cb -0.14 -1.89 1.88 0.00 0.04 0.00 0.00 34.50 34.39 3gac s PRO 35 CO 0.02 -1.71 2.19 -0.24 0.04 0.00 0.00 177.00 177.30 3gac h VAL 36 N -1.17 0.33 -0.32 -0.36 3.04 -1.93 -1.54 116.25 114.30 3gac h VAL 36 Ca -0.45 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.33 3gac h VAL 36 Cb 1.24 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 3gac h VAL 36 CO 0.53 0.00 0.44 0.00 -1.01 0.00 0.00 177.57 177.53 3gac h ALA 37 N 1.84 1.95 -0.08 3.17 0.00 -2.02 -0.03 119.26 124.09 3gac h ALA 37 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gac h ALA 37 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3gac h ALA 37 CO -0.00 -0.60 0.00 0.66 0.00 0.00 0.00 179.25 179.31 3gac n TYR 38 N -3.49 0.08 -3.85 0.00 4.01 -0.58 -4.98 117.16 108.34 3gac n TYR 38 Ca 0.05 -0.06 -0.36 0.00 -0.16 0.00 0.00 57.90 57.37 3gac n TYR 38 Cb 0.58 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.50 3gac n TYR 38 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gac s ILE 39 N -1.23 4.65 -0.05 -0.72 1.01 -0.03 -0.29 121.20 124.55 3gac s ILE 39 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.70 3gac s ILE 39 Cb 0.13 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 3gac s ILE 39 CO 0.19 0.38 0.22 -0.32 0.00 0.00 0.00 174.94 175.41 3gac s MET 40 N 1.09 3.55 0.04 2.79 -2.45 0.45 -4.95 119.30 119.81 3gac s MET 40 Ca 0.05 -0.06 -0.01 0.00 -1.25 0.00 0.00 55.69 54.42 3gac s MET 40 Cb -0.14 -3.15 -0.03 0.00 1.25 0.00 0.00 34.83 32.76 3gac s MET 40 CO 0.03 0.72 -0.01 -1.54 1.05 0.00 0.00 175.02 175.27 3gac s SER 41 N -1.34 0.37 -0.06 1.11 1.04 -1.26 -0.68 113.70 112.88 3gac s SER 41 Ca 0.21 -0.78 -0.15 0.00 0.48 0.00 0.00 55.95 55.72 3gac s SER 41 Cb -0.13 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.19 3gac s SER 41 CO 0.11 -0.49 0.35 0.21 0.98 0.00 0.00 173.24 174.39 3gac s ASN 42 N -2.35 -0.27 -0.35 7.02 2.47 -0.46 -4.95 114.94 116.04 3gac s ASN 42 Ca -0.02 0.33 -0.01 0.00 0.42 0.00 0.00 52.86 53.58 3gac s ASN 42 Cb 0.01 0.46 0.08 0.00 -1.45 0.00 0.00 41.25 40.36 3gac s ASN 42 CO -0.06 -0.35 0.09 -0.47 -3.72 0.00 0.00 177.10 172.59 3gac s TYR 43 N -0.83 3.49 -0.46 0.43 5.04 -1.26 -0.94 117.35 122.82 3gac s TYR 43 Ca -0.09 -2.31 -0.12 0.00 -2.44 0.00 0.00 57.07 52.10 3gac s TYR 43 Cb -0.04 -2.73 0.09 0.00 0.35 0.00 0.00 41.96 39.63 3gac s TYR 43 CO 0.03 -0.90 0.35 0.34 -1.34 0.00 0.00 175.55 174.03 3gac s ASP 44 N 1.44 5.91 -0.30 4.32 -1.08 0.55 -5.02 116.67 122.48 3gac s ASP 44 Ca 0.03 -1.52 -0.29 0.00 -0.52 0.00 0.00 52.55 50.26 3gac s ASP 44 Cb -0.21 -2.09 -0.01 0.00 -1.46 0.00 0.00 42.92 39.15 3gac s ASP 44 CO -0.04 -0.64 1.51 -0.47 0.52 0.00 0.00 175.17 176.05 3gac s TYR 45 N 1.52 2.29 -0.38 -5.34 5.04 -1.26 -1.70 117.35 117.53 3gac s TYR 45 Ca 0.04 0.67 0.03 0.00 -2.44 0.00 0.00 57.07 55.37 3gac s TYR 45 Cb -0.25 -4.06 0.11 0.00 0.35 0.00 0.00 41.96 38.11 3gac s TYR 45 CO 0.04 -2.38 0.12 -0.65 -1.34 0.00 0.00 175.55 171.33 3gac s GLN 46 N 4.73 1.38 0.55 4.97 -1.52 0.12 -4.96 119.66 124.92 3gac s GLN 46 Ca 0.66 -1.85 0.29 0.00 -1.95 0.00 0.00 55.36 52.51 3gac s GLN 46 Cb -0.20 -2.87 1.59 0.00 -0.22 0.00 0.00 33.01 31.31 3gac s GLN 46 CO 0.29 -1.00 2.13 1.57 -0.25 0.00 0.00 175.29 178.03 3gac h LYS 47 N 7.42 0.00 -0.58 2.91 2.10 -1.90 -2.25 116.57 124.28 3gac h LYS 47 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3gac h LYS 47 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 3gac h LYS 47 CO 0.54 0.08 0.00 0.09 -2.00 0.00 0.00 179.45 178.16 3gac n ASN 48 N -3.68 3.41 -4.74 7.07 3.02 -1.26 -4.96 115.26 114.12 3gac n ASN 48 Ca -0.02 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.13 3gac n ASN 48 Cb 0.19 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3gac n ASN 48 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3gac s LEU 49 N -1.14 4.36 0.09 3.41 2.96 -0.84 -5.01 118.68 122.52 3gac s LEU 49 Ca 0.42 2.82 0.07 0.00 -0.22 0.00 0.00 54.13 57.23 3gac s LEU 49 Cb 0.23 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 3gac s LEU 49 CO 0.30 -0.83 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.18 3gac s ARG 50 N -0.26 1.03 -0.08 1.98 0.52 -1.26 -4.60 118.95 116.27 3gac s ARG 50 Ca 0.63 -1.10 -0.11 0.00 -0.52 0.00 0.00 55.73 54.63 3gac s ARG 50 Cb -0.45 -1.20 0.03 0.00 0.52 0.00 0.00 34.95 33.84 3gac s ARG 50 CO 0.44 0.28 0.29 0.12 0.02 0.00 0.00 175.30 176.45 3gac s PHE 51 N -1.22 -0.27 -1.33 -0.53 2.19 -0.68 -4.91 117.98 111.23 3gac s PHE 51 Ca 0.04 0.62 -0.07 0.00 0.33 0.00 0.00 56.93 57.85 3gac s PHE 51 Cb -0.10 0.10 0.05 0.00 -1.31 0.00 0.00 43.02 41.76 3gac s PHE 51 CO 0.04 -0.22 0.46 0.45 1.83 0.00 0.00 175.22 177.77 3gac n SER 52 N 2.45 -4.36 -0.07 6.13 2.88 -1.26 -1.91 113.62 117.49 3gac n SER 52 Ca -0.15 -0.29 -0.01 0.00 -1.33 0.00 0.00 58.87 57.09 3gac n SER 52 Cb 0.57 -3.59 -0.00 0.00 -0.75 0.00 0.00 64.21 60.44 3gac n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gac n GLY 53 N -1.22 0.49 3.16 0.46 0.00 -1.26 -5.02 105.19 101.79 3gac n GLY 53 Ca -0.06 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 3gac n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gac s SER 54 N -2.44 0.32 -0.05 1.61 1.04 -0.80 -5.04 113.70 108.33 3gac s SER 54 Ca 0.00 -1.02 0.12 0.00 0.48 0.00 0.00 55.95 55.53 3gac s SER 54 Cb 0.00 0.28 0.45 0.00 0.10 0.00 0.00 66.02 66.85 3gac s SER 54 CO 0.00 -0.70 1.32 -3.20 0.98 0.00 0.00 173.24 171.64 3gac n ASN 55 N -0.03 3.00 -4.75 7.02 4.05 -1.26 -1.69 115.26 121.61 3gac n ASN 55 Ca -0.10 -2.21 -0.38 0.00 0.45 0.00 0.00 54.58 52.34 3gac n ASN 55 Cb 0.62 -0.42 0.04 0.00 1.23 0.00 0.00 39.78 41.26 3gac n ASN 55 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 3gac s GLU 56 N -1.64 3.02 -0.17 1.20 2.12 -1.26 -4.85 118.70 117.12 3gac s GLU 56 Ca 0.32 2.13 -0.39 0.00 0.36 0.00 0.00 54.97 57.38 3gac s GLU 56 Cb 0.20 -2.13 -0.18 0.00 0.26 0.00 0.00 34.13 32.27 3gac s GLU 56 CO 0.17 -1.25 1.17 0.41 -0.54 0.00 0.00 175.26 175.21 3gac n GLY 57 N 0.73 -0.10 3.36 -1.50 0.00 -1.26 -4.78 105.19 101.64 3gac n GLY 57 Ca 0.12 0.79 -0.15 0.00 0.00 0.00 0.00 46.02 46.77 3gac n GLY 57 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gac s TYR 58 N 1.02 -0.39 -0.04 1.61 5.04 -1.26 -4.68 117.35 118.65 3gac s TYR 58 Ca 0.89 0.68 0.02 0.00 -2.44 0.00 0.00 57.07 56.22 3gac s TYR 58 Cb -1.25 0.23 0.01 0.00 0.35 0.00 0.00 41.96 41.30 3gac s TYR 58 CO 0.61 -0.47 -0.09 0.00 -1.34 0.00 0.00 175.55 174.26 3gac s PHE 60 N 0.43 2.64 -0.11 0.00 5.36 0.19 -1.38 117.98 125.10 3gac s PHE 60 Ca -0.07 -0.66 0.03 0.00 -0.96 0.00 0.00 56.93 55.27 3gac s PHE 60 Cb -0.12 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 3gac s PHE 60 CO 0.01 -0.19 -0.22 0.08 -1.46 0.00 0.00 175.22 173.44 3gac s VAL 61 N 0.02 1.98 -0.26 3.12 1.01 -0.28 -0.10 120.40 125.90 3gac s VAL 61 Ca -0.07 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 3gac s VAL 61 Cb -0.15 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.51 3gac s VAL 61 CO 0.05 0.54 0.02 -0.60 0.00 0.00 0.00 175.10 175.11 3gac s ARG 62 N 0.50 3.12 -0.28 2.72 3.52 -0.07 -0.04 118.95 128.41 3gac s ARG 62 Ca -0.15 -0.82 -0.06 0.00 -0.13 0.00 0.00 55.73 54.57 3gac s ARG 62 Cb -0.17 -3.19 0.01 0.00 -1.56 0.00 0.00 34.95 30.04 3gac s ARG 62 CO 0.06 -0.36 0.06 -1.17 -0.81 0.00 0.00 175.30 173.07 3gac s LEU 63 N 1.45 3.70 -0.16 -0.88 2.96 0.49 -0.59 118.68 125.66 3gac s LEU 63 Ca 0.03 -0.66 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 3gac s LEU 63 Cb -0.16 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 3gac s LEU 63 CO -0.01 -0.16 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.92 3gac s THR 64 N 1.49 3.70 -0.02 3.68 2.01 0.27 -0.26 115.64 126.52 3gac s THR 64 Ca 0.03 -0.42 -0.06 0.00 0.31 0.00 0.00 61.69 61.55 3gac s THR 64 Cb -0.17 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 69.73 3gac s THR 64 CO 0.02 0.49 0.14 -0.55 -0.69 0.00 0.00 174.62 174.03 3gac s SER 65 N 0.45 -0.04 -0.84 3.53 0.15 -0.10 -0.55 113.70 116.29 3gac s SER 65 Ca -0.05 0.00 -0.23 0.00 0.70 0.00 0.00 55.95 56.38 3gac s SER 65 Cb -0.15 0.25 0.07 0.00 -1.71 0.00 0.00 66.02 64.48 3gac s SER 65 CO 0.03 -0.23 1.21 -0.63 1.20 0.00 0.00 173.24 174.82 3gac s ILE 66 N -0.76 4.16 0.00 6.45 1.01 -1.26 -1.08 121.20 129.73 3gac s ILE 66 Ca -0.08 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3gac s ILE 66 Cb -0.05 -4.86 0.00 0.00 0.01 0.00 0.00 42.46 37.56 3gac s ILE 66 CO 0.01 -1.70 0.00 0.61 0.00 0.00 0.00 174.94 173.86 3gac n GLY 67 N 5.81 -1.86 2.20 6.18 0.00 -1.26 -4.97 105.19 111.29 3gac n GLY 67 Ca 0.14 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3gac n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gac n GLY 68 N -2.36 0.48 3.40 -0.02 0.00 -1.26 -4.99 105.19 100.44 3gac n GLY 68 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3gac n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gac s ILE 69 N -2.04 4.89 0.28 -0.61 -1.09 -1.26 -4.65 121.20 116.72 3gac s ILE 69 Ca 0.00 -0.80 -0.19 0.00 -2.23 0.00 0.00 60.65 57.43 3gac s ILE 69 Cb 0.00 -4.37 0.02 0.00 -1.58 0.00 0.00 42.46 36.53 3gac s ILE 69 CO 0.00 -0.93 0.69 0.54 -1.23 0.00 0.00 174.94 174.01 3gac s ASN 70 N 3.14 -0.20 0.13 3.58 2.20 -1.26 -5.01 114.94 117.51 3gac s ASN 70 Ca 0.12 -0.71 -0.19 0.00 -0.94 0.00 0.00 52.86 51.14 3gac s ASN 70 Cb -0.22 0.72 -0.03 0.00 -2.00 0.00 0.00 41.25 39.72 3gac s ASN 70 CO 0.09 -1.35 1.73 -0.09 -2.94 0.00 0.00 177.10 174.54 3gac h ARG 71 N 2.04 0.11 -0.21 3.55 2.43 -1.98 0.13 114.38 120.45 3gac h ARG 71 Ca -0.21 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3gac h ARG 71 Cb 1.25 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3gac h ARG 71 CO 0.26 0.07 0.11 1.03 -1.51 0.00 0.00 179.97 179.94 3gac h SER 72 N 0.11 0.26 -0.25 -3.80 0.87 -1.98 0.79 113.55 109.56 3gac h SER 72 Ca 0.10 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 3gac h SER 72 Cb 0.10 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3gac h SER 72 CO -0.13 0.28 -0.11 0.78 -0.53 0.00 0.00 176.83 177.12 3gac h ASN 73 N 0.23 0.53 -0.53 6.23 2.35 -1.82 -2.23 115.58 120.34 3gac h ASN 73 Ca 0.07 -0.40 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3gac h ASN 73 Cb 0.08 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 3gac h ASN 73 CO -0.01 0.81 0.31 0.78 -1.65 0.00 0.00 177.43 177.67 3gac h ASN 74 N 0.25 0.63 -0.51 5.81 4.21 -0.64 -0.92 115.58 124.41 3gac h ASN 74 Ca 0.06 -0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 3gac h ASN 74 Cb 0.60 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 3gac h ASN 74 CO 0.03 0.51 0.27 -1.28 -1.29 0.00 0.00 177.43 175.67 3gac h SER 75 N 0.70 0.64 -0.18 5.81 0.87 -0.82 0.13 113.55 120.70 3gac h SER 75 Ca 0.19 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3gac h SER 75 Cb -0.01 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3gac h SER 75 CO -0.03 0.56 0.05 -1.28 -0.53 0.00 0.00 176.83 175.60 3gac h SER 76 N 0.67 0.27 0.01 6.23 0.87 -1.22 -2.43 113.55 117.94 3gac h SER 76 Ca 0.18 -0.21 -0.13 0.00 -1.23 0.00 0.00 61.79 60.40 3gac h SER 76 Cb 0.07 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3gac h SER 76 CO -0.03 0.40 -0.42 -0.07 -0.53 0.00 0.00 176.83 176.18 3gac h LEU 77 N 0.11 0.55 -0.54 2.23 3.38 -1.08 -1.47 115.31 118.49 3gac h LEU 77 Ca 0.06 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3gac h LEU 77 Cb 0.23 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3gac h LEU 77 CO -0.00 0.91 0.32 0.00 0.09 0.00 0.00 178.44 179.76 3gac h ALA 78 N 1.12 0.69 0.01 1.53 0.00 -0.69 0.14 119.26 122.06 3gac h ALA 78 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gac h ALA 78 Cb 0.92 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3gac h ALA 78 CO 0.08 0.03 -0.00 0.22 0.00 0.00 0.00 179.25 179.58 3gac h ASP 79 N 0.64 -0.01 -0.03 0.00 3.58 -1.30 -2.65 116.42 116.65 3gac h ASP 79 Ca 0.22 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 3gac h ASP 79 Cb 0.03 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 3gac h ASP 79 CO -0.10 0.18 0.00 0.11 -2.88 0.00 0.00 179.24 176.56 3gac h LYS 80 N -0.19 0.06 -0.54 0.28 1.57 -1.01 -2.73 116.57 114.00 3gac h LYS 80 Ca -0.00 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3gac h LYS 80 Cb 0.19 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3gac h LYS 80 CO 0.00 0.33 0.13 0.82 -0.57 0.00 0.00 179.45 180.15 3gac h ILE 81 N -0.22 1.25 -0.71 1.86 2.04 -0.83 -1.60 117.51 119.29 3gac h ILE 81 Ca 0.01 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3gac h ILE 81 Cb 0.30 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3gac h ILE 81 CO 0.00 0.32 0.40 0.74 0.00 0.00 0.00 178.15 179.62 3gac h THR 82 N 0.77 1.21 -0.64 -0.27 2.02 -1.50 -1.05 112.91 113.46 3gac h THR 82 Ca 0.17 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 3gac h THR 82 Cb 0.35 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 3gac h THR 82 CO 0.00 0.23 0.26 0.11 0.37 0.00 0.00 175.52 176.50 3gac h LYS 83 N 0.98 0.95 -0.59 6.66 1.57 -1.31 -1.05 116.57 123.77 3gac h LYS 83 Ca 0.25 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3gac h LYS 83 Cb 0.02 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3gac h LYS 83 CO -0.04 0.80 0.39 0.82 -0.57 0.00 0.00 179.45 180.84 3gac h ILE 84 N 0.90 1.15 -0.30 1.86 2.04 -0.83 -1.01 117.51 121.32 3gac h ILE 84 Ca 0.21 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 3gac h ILE 84 Cb 0.19 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3gac h ILE 84 CO -0.02 0.15 -0.06 -0.07 0.00 0.00 0.00 178.15 178.15 3gac h LEU 85 N 0.81 0.58 -0.62 1.44 3.38 -1.04 -0.59 115.31 119.27 3gac h LEU 85 Ca 0.22 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3gac h LEU 85 Cb -0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3gac h LEU 85 CO -0.05 0.79 0.37 0.28 0.09 0.00 0.00 178.44 179.93 3gac h SER 86 N 0.35 0.61 0.15 -0.43 0.02 -1.08 0.28 113.55 113.45 3gac h SER 86 Ca 0.08 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3gac h SER 86 Cb 0.53 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3gac h SER 86 CO 0.03 0.42 -0.07 0.78 -1.14 0.00 0.00 176.83 176.84 3gac h ASN 87 N 0.73 -0.18 0.67 3.07 2.35 -1.00 -0.99 115.58 120.23 3gac h ASN 87 Ca 0.25 -0.07 -0.26 0.00 -0.55 0.00 0.00 56.30 55.66 3gac h ASN 87 Cb 0.03 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 3gac h ASN 87 CO -0.11 -0.04 -1.43 0.45 -1.65 0.00 0.00 177.43 174.65 3gac h HIS 88 N -0.30 0.06 0.00 1.19 3.86 -1.02 -3.38 115.15 115.56 3gac h HIS 88 Ca -0.02 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3gac h HIS 88 Cb 0.24 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3gac h HIS 88 CO -0.04 1.06 -0.66 1.28 0.86 0.00 0.00 177.93 180.43 3gac n LEU 89 N -3.21 0.52 0.00 2.43 4.32 0.97 -5.00 117.00 117.04 3gac n LEU 89 Ca -0.11 -0.46 0.00 0.00 -0.02 0.00 0.00 56.01 55.43 3gac n LEU 89 Cb 1.01 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.81 3gac n LEU 89 CO 0.46 0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.37 3gac n GLY 90 N 1.33 0.31 3.77 -0.72 0.00 -0.37 -4.99 105.19 104.51 3gac n GLY 90 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3gac n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gac s VAL 91 N -1.64 2.47 0.26 1.61 0.11 -1.25 -4.96 120.40 117.00 3gac s VAL 91 Ca 0.00 0.44 -0.29 0.00 -2.93 0.00 0.00 61.98 59.20 3gac s VAL 91 Cb 0.00 -3.27 -0.10 0.00 -1.53 0.00 0.00 36.38 31.49 3gac s VAL 91 CO 0.00 0.08 1.28 -0.54 -3.33 0.00 0.00 175.10 172.59 3gac s LYS 92 N -2.17 4.41 0.32 1.54 1.02 -1.26 -4.20 119.74 119.40 3gac s LYS 92 Ca 0.55 2.09 0.09 0.00 0.02 0.00 0.00 55.97 58.72 3gac s LYS 92 Cb -0.40 -3.14 0.84 0.00 -0.52 0.00 0.00 37.83 34.60 3gac s LYS 92 CO 0.53 -0.17 1.76 -1.35 -0.92 0.00 0.00 175.35 175.20 3gac h PRO 93 N 4.38 0.63 0.00 -1.68 0.11 -1.94 0.96 132.00 134.47 3gac h PRO 93 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gac h PRO 93 Cb 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gac h PRO 93 CO 0.71 0.42 0.00 0.54 -0.21 0.00 0.00 178.00 179.46 3gac n ARG 94 N -4.81 0.83 -2.31 1.05 1.74 -1.26 -2.12 116.66 109.78 3gac n ARG 94 Ca 0.25 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.16 3gac n ARG 94 Cb 0.68 -1.06 0.03 0.00 -1.02 0.00 0.00 32.46 31.08 3gac n ARG 94 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gac n ARG 95 N -0.56 2.99 -3.86 5.56 1.74 0.33 -5.01 116.66 117.85 3gac n ARG 95 Ca 0.03 -3.98 -0.26 0.00 -0.77 0.00 0.00 57.85 52.87 3gac n ARG 95 Cb 0.01 -2.05 -0.17 0.00 -1.02 0.00 0.00 32.46 29.23 3gac n ARG 95 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gac s VAL 96 N -4.39 0.81 -0.06 1.55 1.01 -0.90 -1.46 120.40 116.96 3gac s VAL 96 Ca 0.43 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3gac s VAL 96 Cb 0.39 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 3gac s VAL 96 CO 0.00 0.32 -0.06 -0.31 0.00 0.00 0.00 175.10 175.06 3gac s TYR 97 N 1.80 2.96 -0.07 5.22 1.51 -0.48 -5.02 117.35 123.27 3gac s TYR 97 Ca 0.05 0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.15 3gac s TYR 97 Cb -0.13 -1.70 0.02 0.00 -0.11 0.00 0.00 41.96 40.05 3gac s TYR 97 CO -0.07 0.36 -0.05 0.42 -1.11 0.00 0.00 175.55 175.10 3gac s ILE 98 N -0.86 0.68 -0.16 2.71 1.01 -1.26 -1.13 121.20 122.20 3gac s ILE 98 Ca 0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.60 3gac s ILE 98 Cb -0.11 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 3gac s ILE 98 CO 0.03 0.29 0.04 -0.70 0.00 0.00 0.00 174.94 174.59 3gac s GLU 99 N 1.41 3.72 -0.18 2.79 2.12 0.94 -4.98 118.70 124.53 3gac s GLU 99 Ca -0.02 -0.37 -0.06 0.00 0.36 0.00 0.00 54.97 54.88 3gac s GLU 99 Cb -0.13 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 3gac s GLU 99 CO -0.03 0.37 0.01 -0.06 -0.54 0.00 0.00 175.26 175.01 3gac s PHE 100 N 0.07 3.11 -0.09 5.30 0.08 -1.26 -0.38 117.98 124.81 3gac s PHE 100 Ca 0.04 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 56.91 3gac s PHE 100 Cb -0.12 -2.05 0.01 0.00 -0.57 0.00 0.00 43.02 40.29 3gac s PHE 100 CO 0.01 -0.03 -0.17 1.03 -0.10 0.00 0.00 175.22 175.97 3gac s ARG 101 N 0.58 2.25 0.12 0.44 1.81 0.64 -4.97 118.95 119.81 3gac s ARG 101 Ca 0.00 -0.59 -0.19 0.00 -1.72 0.00 0.00 55.73 53.23 3gac s ARG 101 Cb -0.14 -1.81 -0.07 0.00 -0.45 0.00 0.00 34.95 32.48 3gac s ARG 101 CO 0.02 0.04 0.61 0.34 -0.68 0.00 0.00 175.30 175.63 3gac s ASP 102 N 0.67 7.06 -0.01 0.23 2.15 -1.26 -0.92 116.67 124.58 3gac s ASP 102 Ca -0.13 1.29 0.03 0.00 0.43 0.00 0.00 52.55 54.17 3gac s ASP 102 Cb -0.16 -2.37 -0.01 0.00 -0.30 0.00 0.00 42.92 40.08 3gac s ASP 102 CO 0.04 0.20 -0.11 0.00 -0.17 0.00 0.00 175.17 175.13 3gac s SER 104 N -0.17 6.48 0.47 0.00 0.15 -1.26 -4.10 113.70 115.27 3gac s SER 104 Ca 0.03 2.17 0.13 0.00 0.70 0.00 0.00 55.95 58.98 3gac s SER 104 Cb -0.05 -2.59 1.08 0.00 -1.71 0.00 0.00 66.02 62.75 3gac s SER 104 CO -0.00 -0.69 2.07 0.00 1.20 0.00 0.00 173.24 175.82 3gac h ALA 105 N 2.29 1.83 0.00 5.45 0.00 -1.96 -1.49 119.26 125.38 3gac h ALA 105 Ca -0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3gac h ALA 105 Cb 1.23 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gac h ALA 105 CO 0.61 0.14 -0.06 1.96 0.00 0.00 0.00 179.25 181.90 3gac h GLN 106 N 0.13 0.00 -0.50 0.00 7.50 -1.92 -1.28 115.11 119.04 3gac h GLN 106 Ca 0.03 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.07 3gac h GLN 106 Cb 0.10 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.56 3gac h GLN 106 CO 0.00 0.06 0.10 0.09 -1.50 0.00 0.00 178.83 177.58 3gac n ASN 107 N -3.24 4.32 -3.79 1.46 3.02 -0.56 -4.86 115.26 111.60 3gac n ASN 107 Ca -0.00 -3.19 -0.13 0.00 -0.03 0.00 0.00 54.58 51.22 3gac n ASN 107 Cb 0.28 -0.66 -0.14 0.00 -0.61 0.00 0.00 39.78 38.65 3gac n ASN 107 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3gac s PHE 108 N -2.95 -0.10 0.10 3.10 5.36 -1.13 -4.89 117.98 117.47 3gac s PHE 108 Ca 0.49 0.32 0.09 0.00 -0.96 0.00 0.00 56.93 56.87 3gac s PHE 108 Cb 0.40 -0.07 -0.03 0.00 -0.34 0.00 0.00 43.02 42.98 3gac s PHE 108 CO 0.10 -0.10 -0.23 0.00 -1.46 0.00 0.00 175.22 173.53 3gac s ALA 109 N 0.71 2.02 -0.04 11.12 0.00 -1.26 -0.03 121.76 134.28 3gac s ALA 109 Ca -0.06 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.58 3gac s ALA 109 Cb -0.08 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.74 3gac s ALA 109 CO -0.03 0.44 0.11 0.12 0.00 0.00 0.00 175.76 176.39 3gac s PHE 110 N -1.05 -0.11 -1.40 0.00 5.99 0.10 -4.88 117.98 116.63 3gac s PHE 110 Ca 0.09 0.31 -0.05 0.00 0.00 0.00 0.00 56.93 57.29 3gac s PHE 110 Cb -0.10 -0.02 0.03 0.00 0.00 0.00 0.00 43.02 42.93 3gac s PHE 110 CO 0.04 -0.09 0.41 0.45 -0.00 0.00 0.00 175.22 176.03 3gac n SER 111 N 3.46 -4.91 0.00 6.13 2.88 -1.26 -1.79 113.62 118.14 3gac n SER 111 Ca -0.18 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 3gac n SER 111 Cb 0.56 -4.03 0.00 0.00 -0.75 0.00 0.00 64.21 59.99 3gac n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gac n GLY 112 N -1.24 0.77 3.07 0.46 0.00 -1.26 -5.04 105.19 101.94 3gac n GLY 112 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 3gac n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gac s SER 113 N -2.58 0.95 0.42 1.61 0.01 -0.74 -5.13 113.70 108.25 3gac s SER 113 Ca 0.00 -0.50 -0.25 0.00 1.31 0.00 0.00 55.95 56.51 3gac s SER 113 Cb 0.00 0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.16 3gac s SER 113 CO 0.00 -0.15 1.26 -0.76 0.41 0.00 0.00 173.24 174.00 3gac s LEU 114 N -1.42 4.15 0.20 2.44 1.43 -1.26 0.01 118.68 124.23 3gac s LEU 114 Ca -0.07 2.56 -0.08 0.00 -1.03 0.00 0.00 54.13 55.50 3gac s LEU 114 Cb -0.09 -4.00 0.14 0.00 0.03 0.00 0.00 46.19 42.26 3gac s LEU 114 CO 0.01 -0.89 1.75 -0.26 0.23 0.00 0.00 176.35 177.18 3gac h PHE 115 N 2.47 1.18 -4.02 0.29 -1.00 -0.44 -3.46 116.94 111.96 3gac h PHE 115 Ca -0.49 -0.11 -0.51 0.00 2.81 0.00 0.00 57.97 59.67 3gac h PHE 115 Cb 1.25 -0.35 0.07 0.00 3.61 0.00 0.00 35.95 40.53 3gac h PHE 115 CO 0.53 0.91 0.48 0.20 -1.61 0.00 0.00 178.31 178.83 3gac s GLY 116 N -3.36 2.76 0.00 -1.45 0.00 -0.50 -4.94 107.32 99.83 3gac s GLY 116 Ca -0.12 0.94 0.26 0.00 0.00 0.00 0.00 44.72 45.80 3gac s GLY 116 CO 0.84 1.38 1.90 1.04 0.00 0.00 0.00 173.10 178.26