#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ehx s GLN 2 N 0.00 0.48 -0.79 0.03 1.11 -1.26 -5.07 119.66 114.16 1ehx s GLN 2 Ca 0.00 -0.53 0.02 0.00 0.01 0.00 0.00 55.36 54.86 1ehx s GLN 2 Cb 0.00 -0.33 0.25 0.00 -1.01 0.00 0.00 33.01 31.92 1ehx s GLN 2 CO 0.00 0.07 0.89 -3.47 0.01 0.00 0.00 175.29 172.79 1ehx n ASP 3 N 2.05 4.35 -4.79 5.90 2.03 -1.26 -4.87 116.55 119.96 1ehx n ASP 3 Ca -0.19 -3.35 -0.36 0.00 0.52 0.00 0.00 54.79 51.41 1ehx n ASP 3 Cb 0.56 -0.88 -0.05 0.00 -0.72 0.00 0.00 41.12 40.03 1ehx n ASP 3 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ehx s PRO 4 N -2.22 4.19 0.33 -0.67 0.04 -1.26 -4.83 135.00 130.57 1ehx s PRO 4 Ca 0.34 1.42 0.06 0.00 0.04 0.00 0.00 61.00 62.86 1ehx s PRO 4 Cb 0.06 -2.49 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 1ehx s PRO 4 CO -0.03 -0.10 -0.01 0.99 0.04 0.00 0.00 177.00 177.89 1ehx s THR 5 N -1.75 1.61 0.03 1.26 2.01 -0.62 -4.40 115.64 113.79 1ehx s THR 5 Ca 0.58 -2.06 -0.26 0.00 0.31 0.00 0.00 61.69 60.27 1ehx s THR 5 Cb -0.19 -2.70 0.06 0.00 0.01 0.00 0.00 72.50 69.68 1ehx s THR 5 CO 0.24 -0.13 0.59 -0.51 -0.69 0.00 0.00 174.62 174.13 1ehx s ILE 6 N -3.01 0.01 0.00 1.82 2.07 -1.26 0.11 121.20 120.94 1ehx s ILE 6 Ca 0.33 -0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.47 1ehx s ILE 6 Cb 0.07 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.68 1ehx s ILE 6 CO 0.15 -0.06 0.49 0.59 -1.91 0.00 0.00 174.94 174.20 1ehx n ASN 7 N 0.46 0.00 -3.73 4.50 5.03 -1.22 -4.85 115.26 115.45 1ehx n ASN 7 Ca -0.18 0.49 -0.14 0.00 0.87 0.00 0.00 54.58 55.63 1ehx n ASN 7 Cb 0.60 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.38 1ehx n ASN 7 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1ehx n PRO 8 N -0.74 0.88 0.00 3.52 -0.04 -1.26 -5.05 135.00 132.31 1ehx n PRO 8 Ca 0.00 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1ehx n PRO 8 Cb 0.00 0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.49 1ehx n PRO 8 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ehx n THR 9 N -1.53 0.00 -3.61 0.52 -1.04 -1.26 -4.58 114.28 102.78 1ehx n THR 9 Ca 0.05 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.97 1ehx n THR 9 Cb 0.37 0.60 -0.06 0.00 -1.82 0.00 0.00 70.33 69.42 1ehx n THR 9 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ehx s SER 10 N 0.00 -0.34 -0.05 8.00 0.01 -1.26 -1.38 113.70 118.68 1ehx s SER 10 Ca 0.00 0.49 -0.29 0.00 1.31 0.00 0.00 55.95 57.46 1ehx s SER 10 Cb 0.00 0.45 0.10 0.00 0.21 0.00 0.00 66.02 66.77 1ehx s SER 10 CO 0.00 -0.22 0.83 -0.51 0.41 0.00 0.00 173.24 173.75 1ehx s ILE 11 N -0.57 0.00 -0.02 1.44 2.07 -0.31 -4.89 121.20 118.92 1ehx s ILE 11 Ca 0.02 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 1ehx s ILE 11 Cb -0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.58 1ehx s ILE 11 CO -0.03 0.00 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.53 1ehx s SER 12 N -1.64 0.58 -0.04 4.50 0.01 -1.26 0.68 113.70 116.52 1ehx s SER 12 Ca -0.03 -0.08 -0.31 0.00 1.31 0.00 0.00 55.95 56.85 1ehx s SER 12 Cb -0.01 -0.20 0.11 0.00 0.21 0.00 0.00 66.02 66.14 1ehx s SER 12 CO -0.00 -0.02 1.09 0.00 0.41 0.00 0.00 173.24 174.72 1ehx s ALA 13 N 0.47 -1.96 0.56 1.44 0.00 -0.43 -4.92 121.76 116.92 1ehx s ALA 13 Ca -0.05 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 52.73 1ehx s ALA 13 Cb -0.08 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 1ehx s ALA 13 CO -0.01 -0.79 1.11 0.21 0.00 0.00 0.00 175.76 176.29 1ehx s LYS 14 N -2.77 3.29 -0.44 0.00 2.36 -1.26 -1.49 119.74 119.42 1ehx s LYS 14 Ca 0.09 1.51 -0.27 0.00 -2.55 0.00 0.00 55.97 54.75 1ehx s LYS 14 Cb 0.00 -2.01 -0.05 0.00 -1.05 0.00 0.00 37.83 34.72 1ehx s LYS 14 CO -0.05 -0.88 2.23 0.00 1.55 0.00 0.00 175.35 178.20 1ehx s ALA 15 N -1.96 2.05 0.00 3.13 0.00 -1.15 -0.74 121.76 123.09 1ehx s ALA 15 Ca 0.70 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1ehx s ALA 15 Cb -0.22 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.65 1ehx s ALA 15 CO 0.30 -3.87 0.00 0.41 0.00 0.00 0.00 175.76 172.59 1ehx n GLY 16 N 5.85 2.27 0.00 0.00 0.00 -1.24 -4.85 105.19 107.23 1ehx n GLY 16 Ca 0.31 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1ehx n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ehx n SER 17 N 0.00 0.00 -4.38 1.61 3.41 0.08 -4.24 113.62 110.10 1ehx n SER 17 Ca 0.00 -0.95 -0.45 0.00 -0.26 0.00 0.00 58.87 57.21 1ehx n SER 17 Cb 0.00 -0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ehx n SER 17 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ehx s PHE 18 N -2.00 3.92 0.30 7.33 0.08 -1.26 -4.88 117.98 121.48 1ehx s PHE 18 Ca 0.00 -2.37 -0.29 0.00 0.12 0.00 0.00 56.93 54.39 1ehx s PHE 18 Cb 0.00 -4.01 -0.10 0.00 -0.57 0.00 0.00 43.02 38.34 1ehx s PHE 18 CO 0.00 -1.12 1.26 0.00 -0.10 0.00 0.00 175.22 175.25 1ehx s ALA 19 N -0.00 3.48 0.18 5.36 0.00 -1.26 -3.79 121.76 125.72 1ehx s ALA 19 Ca 0.33 1.16 -0.21 0.00 0.00 0.00 0.00 51.96 53.24 1ehx s ALA 19 Cb -0.07 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 1ehx s ALA 19 CO -0.06 -0.51 0.36 -3.47 0.00 0.00 0.00 175.76 172.08 1ehx n ASP 20 N 1.12 -1.14 -3.86 0.00 -0.08 -1.26 -4.66 116.55 106.66 1ehx n ASP 20 Ca 0.00 0.84 -0.10 0.00 -1.51 0.00 0.00 54.79 54.03 1ehx n ASP 20 Cb 0.43 -0.73 -0.06 0.00 2.34 0.00 0.00 41.12 43.10 1ehx n ASP 20 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1ehx s THR 21 N -0.85 0.06 0.38 5.18 2.01 -0.41 -4.88 115.64 117.12 1ehx s THR 21 Ca 0.49 -1.13 0.08 0.00 0.31 0.00 0.00 61.69 61.44 1ehx s THR 21 Cb -0.69 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1ehx s THR 21 CO 0.44 -0.25 0.32 -0.75 -0.69 0.00 0.00 174.62 173.68 1ehx s LYS 22 N -3.92 2.59 -0.20 4.92 2.20 -1.26 0.77 119.74 124.84 1ehx s LYS 22 Ca 0.13 -1.44 -0.05 0.00 -0.36 0.00 0.00 55.97 54.25 1ehx s LYS 22 Cb 0.02 -2.39 0.10 0.00 -1.51 0.00 0.00 37.83 34.04 1ehx s LYS 22 CO -0.02 -0.04 0.39 0.42 -0.36 0.00 0.00 175.35 175.73 1ehx s ILE 23 N -2.40 -0.61 -0.66 5.43 1.01 0.84 -4.86 121.20 119.96 1ehx s ILE 23 Ca 0.44 0.11 -0.21 0.00 0.00 0.00 0.00 60.65 60.99 1ehx s ILE 23 Cb -0.04 -0.68 0.08 0.00 0.01 0.00 0.00 42.46 41.83 1ehx s ILE 23 CO 0.27 0.02 0.90 -0.89 0.00 0.00 0.00 174.94 175.24 1ehx s THR 24 N 2.57 4.49 -0.46 2.92 2.01 -1.26 0.17 115.64 126.07 1ehx s THR 24 Ca 0.03 -0.61 -0.26 0.00 0.31 0.00 0.00 61.69 61.16 1ehx s THR 24 Cb -0.13 -4.64 0.03 0.00 0.01 0.00 0.00 72.50 67.77 1ehx s THR 24 CO -0.13 -1.37 0.98 -0.76 -0.69 0.00 0.00 174.62 172.65 1ehx s LEU 25 N 3.60 3.91 -0.34 4.42 1.43 0.66 -3.42 118.68 128.94 1ehx s LEU 25 Ca 0.20 0.26 -0.28 0.00 -1.03 0.00 0.00 54.13 53.27 1ehx s LEU 25 Cb -0.18 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 1ehx s LEU 25 CO 0.08 -1.08 1.71 -0.89 0.23 0.00 0.00 176.35 176.40 1ehx s THR 26 N 3.91 3.57 -2.41 5.49 2.01 0.30 -4.01 115.64 124.50 1ehx s THR 26 Ca 0.40 0.58 0.22 0.00 0.31 0.00 0.00 61.69 63.20 1ehx s THR 26 Cb -0.10 -3.76 0.43 0.00 0.01 0.00 0.00 72.50 69.08 1ehx s THR 26 CO 0.27 -0.48 1.48 -0.81 -0.69 0.00 0.00 174.62 174.39 1ehx n PRO 27 N 8.32 2.07 -0.73 4.92 -0.04 -1.26 -1.59 135.00 146.69 1ehx n PRO 27 Ca 0.21 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1ehx n PRO 27 Cb 0.47 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1ehx n PRO 27 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ehx n ASN 28 N 0.85 -0.62 0.00 3.54 2.85 -1.26 0.31 115.26 120.93 1ehx n ASN 28 Ca 0.17 -0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.22 1ehx n ASN 28 Cb 0.46 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.48 1ehx n ASN 28 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ehx n GLY 29 N 2.74 2.76 3.82 8.20 0.00 -1.26 -4.85 105.19 116.59 1ehx n GLY 29 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1ehx n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ehx s ASN 30 N -0.87 5.21 0.17 1.61 0.01 0.92 -4.97 114.94 117.01 1ehx s ASN 30 Ca 0.00 -0.50 0.07 0.00 -0.71 0.00 0.00 52.86 51.73 1ehx s ASN 30 Cb 0.00 -1.01 -0.04 0.00 0.41 0.00 0.00 41.25 40.60 1ehx s ASN 30 CO 0.00 -0.27 -0.15 0.28 -1.51 0.00 0.00 177.10 175.45 1ehx s THR 31 N -2.29 1.63 -0.09 1.60 -1.32 -1.26 -4.22 115.64 109.69 1ehx s THR 31 Ca 0.38 -1.97 -0.03 0.00 -1.21 0.00 0.00 61.69 58.86 1ehx s THR 31 Cb -0.06 -1.83 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 1ehx s THR 31 CO 0.25 -0.46 0.06 0.12 -2.21 0.00 0.00 174.62 172.38 1ehx s PHE 32 N -2.46 3.32 -0.21 9.09 5.36 -1.26 -4.23 117.98 127.60 1ehx s PHE 32 Ca 0.16 0.31 -0.02 0.00 -0.96 0.00 0.00 56.93 56.42 1ehx s PHE 32 Cb -0.03 -1.83 -0.12 0.00 -0.34 0.00 0.00 43.02 40.69 1ehx s PHE 32 CO 0.05 0.57 -0.21 -1.71 -1.46 0.00 0.00 175.22 172.47 1ehx n ASN 33 N 1.99 2.18 0.00 6.13 2.85 -0.16 -5.00 115.26 123.26 1ehx n ASN 33 Ca -0.19 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 1ehx n ASN 33 Cb 0.54 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.15 1ehx n ASN 33 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ehx n GLY 34 N 2.29 0.25 3.12 8.20 0.00 -1.25 -5.01 105.19 112.79 1ehx n GLY 34 Ca -0.38 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 1ehx n GLY 34 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ehx s ILE 35 N -1.86 3.73 0.36 -0.61 2.07 -1.26 -1.30 121.20 122.33 1ehx s ILE 35 Ca 0.00 -2.61 0.09 0.00 -1.41 0.00 0.00 60.65 56.72 1ehx s ILE 35 Cb 0.00 -3.45 0.12 0.00 0.13 0.00 0.00 42.46 39.26 1ehx s ILE 35 CO 0.00 -0.83 1.85 0.77 -1.91 0.00 0.00 174.94 174.82 1ehx h SER 36 N 7.44 0.24 -0.35 4.50 4.64 -1.98 -0.66 113.55 127.38 1ehx h SER 36 Ca -0.06 -0.06 0.10 0.00 -0.47 0.00 0.00 61.79 61.30 1ehx h SER 36 Cb 0.99 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1ehx h SER 36 CO 0.72 0.46 0.39 -0.08 -0.87 0.00 0.00 176.83 177.45 1ehx h GLU 37 N 0.22 0.00 -1.97 4.77 4.81 -1.85 -3.26 114.58 117.31 1ehx h GLU 37 Ca 0.04 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.92 1ehx h GLU 37 Cb 0.51 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.58 1ehx h GLU 37 CO 0.03 0.00 -0.67 -0.51 -0.73 0.00 0.00 179.01 177.14 1ehx s LEU 38 N -7.45 -0.14 -0.52 1.64 1.43 -0.27 -4.98 118.68 108.38 1ehx s LEU 38 Ca -0.04 -1.35 -0.05 0.00 -1.03 0.00 0.00 54.13 51.66 1ehx s LEU 38 Cb 0.15 0.59 -0.18 0.00 0.03 0.00 0.00 46.19 46.79 1ehx s LEU 38 CO 0.54 -0.29 1.13 0.00 0.23 0.00 0.00 176.35 177.96 1ehx n GLN 39 N 4.51 0.00 0.00 1.70 1.13 -1.08 -4.24 117.38 119.39 1ehx n GLN 39 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1ehx n GLN 39 Cb 0.46 -0.52 0.00 0.00 0.11 0.00 0.00 30.24 30.28 1ehx n GLN 39 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ehx n SER 40 N 2.89 0.00 -0.08 1.08 7.64 -1.13 -0.87 113.62 123.15 1ehx n SER 40 Ca 0.36 0.00 0.26 0.00 1.01 0.00 0.00 58.87 60.49 1ehx n SER 40 Cb 0.07 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 63.91 1ehx n SER 40 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ehx h SER 41 N 0.00 0.00 -0.38 6.43 0.87 -1.92 0.66 113.55 119.22 1ehx h SER 41 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1ehx h SER 41 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1ehx h SER 41 CO 0.00 0.00 0.25 1.56 -0.53 0.00 0.00 176.83 178.11 1ehx h GLN 42 N 0.00 0.32 0.00 2.24 7.50 -1.18 -3.44 115.11 120.55 1ehx h GLN 42 Ca 0.36 -0.02 -0.15 0.00 0.50 0.00 0.00 58.65 59.35 1ehx h GLN 42 Cb 1.96 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 29.39 1ehx h GLN 42 CO -0.00 0.21 -0.11 2.48 -1.50 0.00 0.00 178.83 179.90 1ehx n TYR 43 N -4.48 0.14 -3.61 2.96 0.18 0.23 -3.14 117.16 109.44 1ehx n TYR 43 Ca 0.04 -0.63 -0.29 0.00 1.88 0.00 0.00 57.90 58.91 1ehx n TYR 43 Cb 0.20 -0.03 -0.12 0.00 -0.38 0.00 0.00 39.34 39.01 1ehx n TYR 43 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1ehx s THR 44 N -1.72 0.98 0.95 -3.48 2.01 0.30 -4.95 115.64 109.74 1ehx s THR 44 Ca 0.03 -2.44 -0.12 0.00 0.31 0.00 0.00 61.69 59.47 1ehx s THR 44 Cb 0.00 -1.69 0.16 0.00 0.01 0.00 0.00 72.50 70.98 1ehx s THR 44 CO 0.02 -0.98 1.09 -0.54 -0.69 0.00 0.00 174.62 173.52 1ehx s LYS 45 N 0.40 0.81 -0.33 4.92 3.01 -1.26 -1.48 119.74 125.82 1ehx s LYS 45 Ca 0.20 0.70 -0.09 0.00 -1.01 0.00 0.00 55.97 55.77 1ehx s LYS 45 Cb -0.19 -1.77 0.20 0.00 -1.01 0.00 0.00 37.83 35.07 1ehx s LYS 45 CO -0.04 -2.51 1.08 0.20 0.51 0.00 0.00 175.35 174.59 1ehx s GLY 46 N -3.40 -1.70 0.00 -3.33 0.00 0.67 -4.85 107.32 94.72 1ehx s GLY 46 Ca 0.64 1.07 0.00 0.00 0.00 0.00 0.00 44.72 46.43 1ehx s GLY 46 CO 0.57 4.33 0.00 -0.37 0.00 0.00 0.00 173.10 177.64 1ehx n THR 47 N 3.27 -0.29 -0.70 0.90 5.66 -1.26 -0.07 114.28 121.80 1ehx n THR 47 Ca 0.07 0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1ehx n THR 47 Cb 0.64 -0.59 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 1ehx n THR 47 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1ehx n ASN 48 N 1.38 0.00 -4.21 1.09 5.15 -1.26 -4.97 115.26 112.44 1ehx n ASN 48 Ca 0.00 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 1ehx n ASN 48 Cb 0.03 -0.74 -0.14 0.00 -0.53 0.00 0.00 39.78 38.40 1ehx n ASN 48 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ehx s GLU 49 N -0.26 1.28 -0.22 1.20 2.02 0.90 0.24 118.70 123.86 1ehx s GLU 49 Ca 0.00 -0.85 -0.06 0.00 0.02 0.00 0.00 54.97 54.08 1ehx s GLU 49 Cb 0.00 -1.35 0.11 0.00 0.10 0.00 0.00 34.13 32.99 1ehx s GLU 49 CO 0.00 0.35 0.43 0.08 0.02 0.00 0.00 175.26 176.14 1ehx s VAL 50 N -0.76 -0.67 -0.19 2.63 1.01 0.44 0.24 120.40 123.10 1ehx s VAL 50 Ca 0.06 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1ehx s VAL 50 Cb -0.08 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1ehx s VAL 50 CO 0.01 0.02 -0.08 -0.89 0.00 0.00 0.00 175.10 174.16 1ehx s THR 51 N 2.62 3.19 0.13 3.92 2.01 -0.55 0.29 115.64 127.26 1ehx s THR 51 Ca 0.03 -0.57 -0.10 0.00 0.31 0.00 0.00 61.69 61.35 1ehx s THR 51 Cb -0.13 -2.41 -0.06 0.00 0.01 0.00 0.00 72.50 69.91 1ehx s THR 51 CO -0.14 0.46 0.46 -1.48 -0.69 0.00 0.00 174.62 173.23 1ehx s LEU 52 N 1.11 4.29 -0.26 4.42 -0.00 0.23 0.11 118.68 128.58 1ehx s LEU 52 Ca 0.01 0.84 -0.10 0.00 -0.00 0.00 0.00 54.13 54.88 1ehx s LEU 52 Cb -0.15 -3.24 -0.05 0.00 -0.00 0.00 0.00 46.19 42.76 1ehx s LEU 52 CO -0.02 0.09 0.15 -0.76 -0.00 0.00 0.00 176.35 175.81 1ehx s LEU 53 N -2.24 3.92 0.00 1.48 1.43 -1.19 -1.29 118.68 120.79 1ehx s LEU 53 Ca 0.38 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1ehx s LEU 53 Cb -0.13 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1ehx s LEU 53 CO 0.20 -0.01 0.66 0.00 0.23 0.00 0.00 176.35 177.43 1ehx n ALA 54 N 4.76 0.40 -0.07 4.21 0.00 -1.25 -0.69 120.51 127.88 1ehx n ALA 54 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 1ehx n ALA 54 Cb 0.52 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 1ehx n ALA 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ehx h SER 55 N 0.00 0.61 0.01 0.00 4.64 -1.92 0.43 113.55 117.32 1ehx h SER 55 Ca 0.00 -0.52 -0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1ehx h SER 55 Cb 0.57 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1ehx h SER 55 CO 0.00 1.01 -0.00 0.22 -0.87 0.00 0.00 176.83 177.18 1ehx h TYR 56 N 0.23 -0.01 -0.71 4.77 3.20 -1.20 -3.04 116.97 120.21 1ehx h TYR 56 Ca 0.02 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.98 1ehx h TYR 56 Cb 0.87 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 1ehx h TYR 56 CO 0.09 0.76 0.47 1.37 -1.64 0.00 0.00 178.16 179.21 1ehx h LEU 57 N -0.96 0.57 -1.84 2.82 -0.00 -1.66 0.62 115.31 114.86 1ehx h LEU 57 Ca -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1ehx h LEU 57 Cb 0.78 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1ehx h LEU 57 CO 0.00 0.35 -0.10 -1.13 -0.00 0.00 0.00 178.44 177.57 1ehx h ASN 58 N 0.64 0.00 -0.01 0.17 -1.24 -0.97 -2.89 115.58 111.29 1ehx h ASN 58 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.33 1ehx h ASN 58 Cb 0.42 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1ehx h ASN 58 CO -0.11 0.10 -0.51 0.41 -1.29 0.00 0.00 177.43 176.02 1ehx n THR 59 N -3.41 0.00 -0.84 -3.57 -1.04 0.17 -3.65 114.28 101.94 1ehx n THR 59 Ca -0.01 -0.24 -0.36 0.00 -2.04 0.00 0.00 64.05 61.40 1ehx n THR 59 Cb 0.26 1.09 0.10 0.00 -1.82 0.00 0.00 70.33 69.96 1ehx n THR 59 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ehx n LEU 60 N -0.77 -2.73 -4.28 -4.42 -0.00 0.13 -4.90 117.00 100.03 1ehx n LEU 60 Ca 0.04 -0.04 -0.28 0.00 -0.00 0.00 0.00 56.01 55.73 1ehx n LEU 60 Cb 0.27 -0.74 0.23 0.00 -0.00 0.00 0.00 43.42 43.18 1ehx n LEU 60 CO 0.25 -2.95 0.07 -2.65 -0.00 0.00 0.00 177.39 172.10 1ehx n PRO 61 N 0.23 -2.79 0.00 1.47 -0.02 -1.26 -5.01 135.00 127.63 1ehx n PRO 61 Ca -0.01 -0.81 0.00 0.00 -2.02 0.00 0.00 63.50 60.67 1ehx n PRO 61 Cb 0.68 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1ehx n PRO 61 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ehx n GLU 62 N -3.82 1.16 -0.90 -0.52 0.28 -1.26 -4.50 120.64 111.07 1ehx n GLU 62 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1ehx n GLU 62 Cb 0.55 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.42 1ehx n GLU 62 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1ehx n ASN 63 N 0.00 -1.26 -3.47 -1.84 0.23 -1.20 -4.67 115.26 103.05 1ehx n ASN 63 Ca 0.00 -0.78 -0.19 0.00 -0.53 0.00 0.00 54.58 53.08 1ehx n ASN 63 Cb 0.00 -0.21 -0.08 0.00 -2.08 0.00 0.00 39.78 37.40 1ehx n ASN 63 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1ehx s THR 64 N 1.65 0.03 -0.71 5.53 -4.23 0.27 -4.98 115.64 113.19 1ehx s THR 64 Ca 0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1ehx s THR 64 Cb 0.00 -2.49 0.19 0.00 1.34 0.00 0.00 72.50 71.53 1ehx s THR 64 CO 0.00 0.00 0.60 -0.89 -0.54 0.00 0.00 174.62 173.79 1ehx s THR 65 N -3.50 4.78 -0.92 3.99 2.01 -1.25 0.16 115.64 120.91 1ehx s THR 65 Ca 0.40 -2.56 -0.25 0.00 0.31 0.00 0.00 61.69 59.59 1ehx s THR 65 Cb 0.03 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.41 1ehx s THR 65 CO 0.26 -0.95 2.12 -0.75 -0.69 0.00 0.00 174.62 174.61 1ehx s LYS 66 N 0.24 2.07 -0.12 4.92 2.47 1.04 -4.62 119.74 125.73 1ehx s LYS 66 Ca 0.16 -0.15 -0.17 0.00 -1.56 0.00 0.00 55.97 54.24 1ehx s LYS 66 Cb -0.16 -4.98 -0.04 0.00 -1.46 0.00 0.00 37.83 31.18 1ehx s LYS 66 CO -0.06 -4.06 0.45 0.99 0.16 0.00 0.00 175.35 172.84 1ehx s THR 67 N 12.58 5.20 -0.73 3.43 2.01 -1.26 -0.48 115.64 136.39 1ehx s THR 67 Ca 0.79 0.90 -0.07 0.00 0.31 0.00 0.00 61.69 63.61 1ehx s THR 67 Cb -0.08 -3.79 0.19 0.00 0.01 0.00 0.00 72.50 68.83 1ehx s THR 67 CO 0.06 0.34 0.60 -1.48 -0.69 0.00 0.00 174.62 173.45 1ehx s LEU 68 N 0.55 5.89 -0.52 4.42 2.34 0.13 -4.68 118.68 126.82 1ehx s LEU 68 Ca 0.25 -2.85 -0.24 0.00 0.06 0.00 0.00 54.13 51.34 1ehx s LEU 68 Cb -0.15 -2.01 0.04 0.00 -0.56 0.00 0.00 46.19 43.51 1ehx s LEU 68 CO 0.09 -0.44 0.89 -0.89 -1.06 0.00 0.00 176.35 174.95 1ehx s THR 69 N -0.07 4.48 -0.64 5.48 2.01 -1.26 -1.22 115.64 124.41 1ehx s THR 69 Ca 0.18 0.30 -0.28 0.00 0.31 0.00 0.00 61.69 62.20 1ehx s THR 69 Cb -0.15 -4.48 0.03 0.00 0.01 0.00 0.00 72.50 67.91 1ehx s THR 69 CO -0.06 -1.00 1.22 -0.36 -0.69 0.00 0.00 174.62 173.73 1ehx s PHE 70 N 3.72 2.48 -0.63 4.92 0.40 -1.14 -4.09 117.98 123.64 1ehx s PHE 70 Ca 0.30 0.21 -0.26 0.00 -0.60 0.00 0.00 56.93 56.57 1ehx s PHE 70 Cb -0.13 -4.55 -0.02 0.00 0.51 0.00 0.00 43.02 38.83 1ehx s PHE 70 CO 0.20 -1.78 1.88 -0.51 0.70 0.00 0.00 175.22 175.72 1ehx s ASP 71 N 3.28 5.23 -0.27 1.36 1.01 -0.42 -4.22 116.67 122.64 1ehx s ASP 71 Ca 0.39 0.28 0.07 0.00 0.71 0.00 0.00 52.55 54.01 1ehx s ASP 71 Cb -0.08 -2.53 0.58 0.00 1.01 0.00 0.00 42.92 41.90 1ehx s ASP 71 CO 0.21 -2.42 1.59 0.49 0.21 0.00 0.00 175.17 175.25 1ehx n PHE 72 N 12.94 2.01 0.00 4.23 3.01 -1.26 -0.99 117.46 137.40 1ehx n PHE 72 Ca 0.22 -1.06 0.00 0.00 1.01 0.00 0.00 57.45 57.63 1ehx n PHE 72 Cb 0.52 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 1ehx n PHE 72 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ehx n GLY 73 N -0.15 2.92 0.12 1.37 0.00 -1.26 -4.40 105.19 103.80 1ehx n GLY 73 Ca 0.34 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 1ehx n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ehx n VAL 74 N -2.00 1.56 0.00 1.61 0.24 -1.26 -4.82 118.33 113.65 1ehx n VAL 74 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1ehx n VAL 74 Cb 0.00 -1.94 0.00 0.00 -1.47 0.00 0.00 33.84 30.43 1ehx n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ehx n GLY 75 N 1.48 1.44 0.00 7.63 0.00 -1.26 -4.62 105.19 109.86 1ehx n GLY 75 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1ehx n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ehx n THR 76 N 0.00 0.00 0.47 2.61 -1.04 -1.26 -2.72 114.28 112.34 1ehx n THR 76 Ca 0.00 1.49 0.05 0.00 -2.04 0.00 0.00 64.05 63.55 1ehx n THR 76 Cb 0.00 -2.34 0.19 0.00 -1.82 0.00 0.00 70.33 66.36 1ehx n THR 76 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1ehx n LYS 77 N -2.25 2.34 -1.68 -2.82 2.85 -1.26 -4.94 118.16 110.40 1ehx n LYS 77 Ca 0.00 -1.51 -0.47 0.00 -1.05 0.00 0.00 58.31 55.28 1ehx n LYS 77 Cb 0.00 -1.53 -0.04 0.00 -0.65 0.00 0.00 35.03 32.81 1ehx n LYS 77 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1ehx n ASN 78 N 0.53 3.34 -4.54 -5.58 6.94 -1.10 -4.73 115.26 110.12 1ehx n ASN 78 Ca 0.14 1.01 -0.35 0.00 -0.02 0.00 0.00 54.58 55.35 1ehx n ASN 78 Cb 0.49 -1.40 -0.06 0.00 -2.36 0.00 0.00 39.78 36.45 1ehx n ASN 78 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1ehx n PRO 79 N 5.48 0.80 -4.79 -0.53 -0.04 -1.26 -4.77 135.00 129.89 1ehx n PRO 79 Ca 0.20 -0.06 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 1ehx n PRO 79 Cb 0.30 -3.08 -0.13 0.00 -0.04 0.00 0.00 33.50 30.55 1ehx n PRO 79 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ehx s LYS 80 N 8.45 2.44 -0.40 0.54 2.36 -1.26 -2.89 119.74 128.97 1ehx s LYS 80 Ca 1.05 -0.74 -0.08 0.00 -2.55 0.00 0.00 55.97 53.65 1ehx s LYS 80 Cb -0.38 -2.37 0.07 0.00 -1.05 0.00 0.00 37.83 34.11 1ehx s LYS 80 CO 0.30 0.61 0.23 -0.51 1.55 0.00 0.00 175.35 177.53 1ehx s LEU 81 N -0.94 5.02 -0.60 5.43 1.43 -0.36 -4.33 118.68 124.33 1ehx s LEU 81 Ca 0.13 -1.47 -0.24 0.00 -1.03 0.00 0.00 54.13 51.51 1ehx s LEU 81 Cb -0.11 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.20 1ehx s LEU 81 CO 0.02 -0.50 1.00 0.28 0.23 0.00 0.00 176.35 177.38 1ehx s THR 82 N 1.41 4.28 -0.02 5.49 -1.32 -0.48 0.18 115.64 125.18 1ehx s THR 82 Ca 0.03 0.18 -0.08 0.00 -1.21 0.00 0.00 61.69 60.61 1ehx s THR 82 Cb -0.22 -4.63 -0.05 0.00 -1.51 0.00 0.00 72.50 66.09 1ehx s THR 82 CO 0.02 -1.29 0.25 -0.63 -2.21 0.00 0.00 174.62 170.76 1ehx s ILE 83 N 4.23 5.32 -0.42 5.08 1.01 0.37 -1.16 121.20 135.62 1ehx s ILE 83 Ca 0.30 0.25 -0.05 0.00 0.00 0.00 0.00 60.65 61.15 1ehx s ILE 83 Cb -0.13 -3.55 0.11 0.00 0.01 0.00 0.00 42.46 38.91 1ehx s ILE 83 CO 0.17 0.45 0.24 -0.89 0.00 0.00 0.00 174.94 174.91 1ehx s THR 84 N -1.21 3.55 -0.41 2.92 2.01 0.21 0.34 115.64 123.05 1ehx s THR 84 Ca 0.24 -1.96 -0.27 0.00 0.31 0.00 0.00 61.69 60.00 1ehx s THR 84 Cb -0.13 -3.40 0.02 0.00 0.01 0.00 0.00 72.50 69.00 1ehx s THR 84 CO 0.13 -0.71 1.02 0.54 -0.69 0.00 0.00 174.62 174.91 1ehx s VAL 85 N 1.21 4.43 0.37 3.82 0.11 0.43 -1.32 120.40 129.45 1ehx s VAL 85 Ca 0.07 1.22 -0.05 0.00 -2.93 0.00 0.00 61.98 60.30 1ehx s VAL 85 Cb -0.24 -4.45 -0.05 0.00 -1.53 0.00 0.00 36.38 30.12 1ehx s VAL 85 CO -0.03 -0.73 0.65 -1.48 -3.33 0.00 0.00 175.10 170.18 1ehx s LEU 86 N 3.86 3.90 -0.31 2.54 0.05 -0.55 -0.57 118.68 127.60 1ehx s LEU 86 Ca 0.42 0.79 -0.38 0.00 0.05 0.00 0.00 54.13 55.01 1ehx s LEU 86 Cb -0.10 -3.66 -0.14 0.00 -2.05 0.00 0.00 46.19 40.24 1ehx s LEU 86 CO 0.23 -0.35 1.97 -0.81 -0.55 0.00 0.00 176.35 176.85 1ehx n PRO 87 N -1.50 1.12 -1.43 1.48 -0.04 -1.26 -2.92 135.00 130.44 1ehx n PRO 87 Ca -0.01 0.37 -0.56 0.00 -0.04 0.00 0.00 63.50 63.26 1ehx n PRO 87 Cb 0.55 -2.25 -0.09 0.00 -0.04 0.00 0.00 33.50 31.67 1ehx n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ehx n LYS 88 N 6.83 0.64 -4.13 0.54 5.02 -1.26 -4.86 118.16 120.94 1ehx n LYS 88 Ca 0.35 0.19 -0.27 0.00 -2.02 0.00 0.00 58.31 56.55 1ehx n LYS 88 Cb 0.17 -2.00 -0.04 0.00 -0.02 0.00 0.00 35.03 33.14 1ehx n LYS 88 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ehx s ASP 89 N 5.99 4.49 -0.42 4.39 2.15 -1.26 -5.07 116.67 126.94 1ehx s ASP 89 Ca 1.11 -1.29 0.07 0.00 0.43 0.00 0.00 52.55 52.87 1ehx s ASP 89 Cb -1.16 0.23 0.22 0.00 -0.30 0.00 0.00 42.92 41.91 1ehx s ASP 89 CO 0.60 -0.92 0.55 -0.38 -0.17 0.00 0.00 175.17 174.85 1ehx n ILE 90 N -1.53 -0.68 -2.17 4.11 2.08 -1.26 -5.11 119.36 114.80 1ehx n ILE 90 Ca -0.05 -3.23 -0.42 0.00 0.56 0.00 0.00 62.75 59.60 1ehx n ILE 90 Cb 0.65 -1.11 -0.03 0.00 -0.75 0.00 0.00 39.64 38.40 1ehx n ILE 90 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1ehx s PRO 91 N -0.40 4.24 0.17 0.38 0.04 -1.26 -4.91 135.00 133.26 1ehx s PRO 91 Ca 0.34 2.01 0.14 0.00 0.04 0.00 0.00 61.00 63.53 1ehx s PRO 91 Cb 0.13 -3.73 -0.05 0.00 0.04 0.00 0.00 34.50 30.88 1ehx s PRO 91 CO -0.15 -0.69 1.17 0.78 0.04 0.00 0.00 177.00 178.15 1ehx h GLY 92 N 9.18 0.00 -4.85 0.56 0.00 -2.09 -3.49 103.07 102.37 1ehx h GLY 92 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1ehx h GLY 92 CO 0.93 0.00 -1.15 1.04 0.00 0.00 0.00 176.54 177.37 1ehx n LEU 93 N -3.11 -6.67 0.00 3.11 7.99 -1.26 -5.38 117.00 111.68 1ehx n LEU 93 Ca -0.03 1.65 0.00 0.00 -0.01 0.00 0.00 56.01 57.62 1ehx n LEU 93 Cb 0.81 -3.10 0.00 0.00 -0.11 0.00 0.00 43.42 41.02 1ehx n LEU 93 CO 0.42 -3.25 0.10 1.21 -1.51 0.00 0.00 177.39 174.37