#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ehx n GLN 2 N 0.00 0.44 -2.91 2.12 1.13 -1.26 -5.07 117.38 111.83 1ehx n GLN 2 Ca 0.00 -3.24 -0.32 0.00 -1.94 0.00 0.00 57.00 51.50 1ehx n GLN 2 Cb 0.00 2.44 -0.03 0.00 0.11 0.00 0.00 30.24 32.77 1ehx n GLN 2 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1ehx n ASP 3 N -1.69 5.31 -4.70 1.08 5.68 -1.26 -4.67 116.55 116.30 1ehx n ASP 3 Ca 0.04 -3.65 -0.42 0.00 -0.50 0.00 0.00 54.79 50.26 1ehx n ASP 3 Cb 0.58 -0.77 -0.03 0.00 -1.14 0.00 0.00 41.12 39.76 1ehx n ASP 3 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1ehx s PRO 4 N -3.58 4.21 -0.21 0.11 0.04 -1.26 -4.81 135.00 129.50 1ehx s PRO 4 Ca 0.44 2.31 -0.07 0.00 0.04 0.00 0.00 61.00 63.72 1ehx s PRO 4 Cb 0.23 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 1ehx s PRO 4 CO -0.11 -0.68 0.06 -0.08 0.04 0.00 0.00 177.00 176.23 1ehx s THR 5 N 2.19 4.49 0.11 1.26 -1.32 -0.55 -4.65 115.64 117.16 1ehx s THR 5 Ca 0.72 -0.13 0.07 0.00 -1.21 0.00 0.00 61.69 61.14 1ehx s THR 5 Cb -0.40 -3.05 -0.03 0.00 -1.51 0.00 0.00 72.50 67.50 1ehx s THR 5 CO 0.32 0.40 -0.18 -0.51 -2.21 0.00 0.00 174.62 172.44 1ehx s ILE 6 N 0.97 1.53 0.00 5.08 1.10 -1.26 0.11 121.20 128.73 1ehx s ILE 6 Ca 0.04 -1.57 0.00 0.00 -0.51 0.00 0.00 60.65 58.61 1ehx s ILE 6 Cb -0.14 -1.48 0.00 0.00 0.15 0.00 0.00 42.46 40.99 1ehx s ILE 6 CO 0.03 -0.19 0.26 -0.46 -2.11 0.00 0.00 174.94 172.47 1ehx n ASN 7 N 0.93 0.00 -4.40 4.50 2.04 -1.20 -4.92 115.26 112.22 1ehx n ASN 7 Ca -0.18 0.26 -0.18 0.00 -0.44 0.00 0.00 54.58 54.04 1ehx n ASN 7 Cb 0.55 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 37.83 1ehx n ASN 7 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1ehx n PRO 8 N -0.28 0.73 0.00 -0.53 -0.04 -1.26 -5.04 135.00 128.58 1ehx n PRO 8 Ca 0.00 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 1ehx n PRO 8 Cb 0.00 -0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -1.86 0.00 -3.64 0.52 -1.04 -1.26 -4.55 114.28 102.44 1ehx n THR 9 Ca 0.08 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.03 1ehx n THR 9 Cb 0.50 0.86 -0.07 0.00 -1.82 0.00 0.00 70.33 69.80 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 -0.38 0.25 8.00 0.01 -1.26 -0.28 113.70 120.03 1ehx s SER 10 Ca 0.00 0.70 -0.22 0.00 1.31 0.00 0.00 55.95 57.74 1ehx s SER 10 Cb 0.00 0.83 0.04 0.00 0.21 0.00 0.00 66.02 67.10 1ehx s SER 10 CO 0.00 -0.12 0.83 0.27 0.41 0.00 0.00 173.24 174.63 1ehx s ILE 11 N 0.49 0.00 -0.11 1.44 -4.36 -0.37 -4.91 121.20 113.39 1ehx s ILE 11 Ca 0.01 -0.87 -0.09 0.00 -0.26 0.00 0.00 60.65 59.44 1ehx s ILE 11 Cb -0.05 -2.15 0.03 0.00 1.25 0.00 0.00 42.46 41.55 1ehx s ILE 11 CO -0.10 0.00 0.28 -0.44 0.24 0.00 0.00 174.94 174.92 1ehx s SER 12 N -2.97 -0.29 -0.11 4.36 0.01 -1.26 -0.16 113.70 113.27 1ehx s SER 12 Ca 0.13 0.56 -0.31 0.00 1.31 0.00 0.00 55.95 57.64 1ehx s SER 12 Cb -0.04 0.54 0.12 0.00 0.21 0.00 0.00 66.02 66.85 1ehx s SER 12 CO 0.06 -0.11 1.04 0.00 0.41 0.00 0.00 173.24 174.64 1ehx s ALA 13 N 0.42 -1.95 0.44 1.44 0.00 0.14 -4.92 121.76 117.33 1ehx s ALA 13 Ca -0.02 1.38 -0.24 0.00 0.00 0.00 0.00 51.96 53.08 1ehx s ALA 13 Cb -0.04 -0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.91 1ehx s ALA 13 CO -0.02 -0.56 1.16 0.21 0.00 0.00 0.00 175.76 176.55 1ehx s LYS 14 N -2.36 3.88 -0.44 0.00 2.20 -1.26 -1.33 119.74 120.42 1ehx s LYS 14 Ca 0.05 1.77 -0.27 0.00 -0.36 0.00 0.00 55.97 57.16 1ehx s LYS 14 Cb -0.01 -2.49 -0.05 0.00 -1.51 0.00 0.00 37.83 33.77 1ehx s LYS 14 CO -0.05 -0.45 2.18 0.00 -0.36 0.00 0.00 175.35 176.67 1ehx s ALA 15 N -1.52 2.11 0.00 3.13 0.00 0.17 -0.61 121.76 125.04 1ehx s ALA 15 Ca 0.61 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1ehx s ALA 15 Cb -0.28 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.59 1ehx s ALA 15 CO 0.35 -3.79 0.00 0.41 0.00 0.00 0.00 175.76 172.73 1ehx n GLY 16 N 5.82 4.00 0.00 0.00 0.00 -1.26 -4.04 105.19 109.72 1ehx n GLY 16 Ca 0.30 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.27 1.61 3.41 0.21 -4.11 113.62 110.47 1ehx n SER 17 Ca 0.00 -0.85 -0.45 0.00 -0.26 0.00 0.00 58.87 57.32 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 0.49 -0.16 0.00 0.00 175.04 175.37 1ehx n PHE 18 N -0.59 4.64 -2.16 7.33 3.72 -1.25 -4.89 117.46 124.25 1ehx n PHE 18 Ca 0.02 -3.60 -0.37 0.00 -0.05 0.00 0.00 57.45 53.44 1ehx n PHE 18 Cb 0.01 -1.65 0.00 0.00 -0.94 0.00 0.00 39.48 36.90 1ehx n PHE 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ehx s ALA 19 N -1.42 2.93 -0.14 4.37 0.00 -1.26 -3.21 121.76 123.04 1ehx s ALA 19 Ca 0.32 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 1ehx s ALA 19 Cb -0.06 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.50 1ehx s ALA 19 CO -0.04 -0.80 0.91 -3.47 0.00 0.00 0.00 175.76 172.36 1ehx n ASP 20 N -0.62 0.34 -3.91 0.00 2.03 -1.26 -4.65 116.55 108.47 1ehx n ASP 20 Ca 0.08 0.83 -0.16 0.00 0.52 0.00 0.00 54.79 56.06 1ehx n ASP 20 Cb 0.48 -0.64 -0.15 0.00 -0.72 0.00 0.00 41.12 40.08 1ehx n ASP 20 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ehx s THR 21 N 0.85 0.34 -0.31 5.18 2.01 -0.38 -4.95 115.64 118.37 1ehx s THR 21 Ca 0.69 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.46 1ehx s THR 21 Cb -0.97 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 1ehx s THR 21 CO 0.48 0.12 0.16 -1.59 -0.69 0.00 0.00 174.62 173.10 1ehx s LYS 22 N 0.23 3.37 0.42 4.92 -2.85 -1.26 0.21 119.74 124.78 1ehx s LYS 22 Ca -0.02 -0.70 -0.04 0.00 -1.00 0.00 0.00 55.97 54.21 1ehx s LYS 22 Cb -0.06 -3.58 -0.04 0.00 -2.06 0.00 0.00 37.83 32.10 1ehx s LYS 22 CO -0.00 -0.41 0.70 0.42 0.10 0.00 0.00 175.35 176.15 1ehx s ILE 23 N 1.62 4.97 -0.30 3.79 1.01 0.53 -4.92 121.20 127.90 1ehx s ILE 23 Ca 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.71 1ehx s ILE 23 Cb -0.17 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.52 1ehx s ILE 23 CO 0.07 -0.70 -0.00 -0.89 0.00 0.00 0.00 174.94 173.41 1ehx s THR 24 N -2.54 2.79 -0.85 2.92 2.01 -1.26 -1.45 115.64 117.26 1ehx s THR 24 Ca 0.45 -1.57 -0.17 0.00 0.31 0.00 0.00 61.69 60.71 1ehx s THR 24 Cb -0.10 -2.67 0.15 0.00 0.01 0.00 0.00 72.50 69.89 1ehx s THR 24 CO 0.40 -0.18 0.96 -0.76 -0.69 0.00 0.00 174.62 174.35 1ehx s LEU 25 N 1.19 5.63 -0.31 4.42 1.02 0.61 -3.22 118.68 128.00 1ehx s LEU 25 Ca -0.04 -2.15 -0.29 0.00 0.02 0.00 0.00 54.13 51.68 1ehx s LEU 25 Cb -0.20 -2.33 -0.02 0.00 0.02 0.00 0.00 46.19 43.67 1ehx s LEU 25 CO -0.03 -0.92 1.70 -0.89 0.02 0.00 0.00 176.35 176.23 1ehx s THR 26 N 1.91 3.59 -2.35 5.49 2.01 0.31 -4.19 115.64 122.40 1ehx s THR 26 Ca 0.25 0.61 0.21 0.00 0.31 0.00 0.00 61.69 63.08 1ehx s THR 26 Cb -0.09 -3.74 0.43 0.00 0.01 0.00 0.00 72.50 69.11 1ehx s THR 26 CO -0.07 -0.43 1.48 -0.81 -0.69 0.00 0.00 174.62 174.10 1ehx n PRO 27 N 8.19 2.01 -0.73 4.92 -0.04 -1.26 -1.49 135.00 146.61 1ehx n PRO 27 Ca 0.21 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1ehx n PRO 27 Cb 0.46 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.76 -0.62 0.00 3.54 5.15 -1.26 0.36 115.26 123.18 1ehx n ASN 28 Ca 0.17 -0.42 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 1ehx n ASN 28 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 1ehx n ASN 28 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ehx n GLY 29 N 2.74 0.79 3.86 8.20 0.00 -1.26 -4.97 105.19 114.55 1ehx n GLY 29 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.74 5.42 0.19 1.61 0.01 1.11 -4.98 114.94 117.55 1ehx s ASN 30 Ca 0.00 -0.41 0.10 0.00 -0.71 0.00 0.00 52.86 51.85 1ehx s ASN 30 Cb 0.00 -1.10 -0.04 0.00 0.41 0.00 0.00 41.25 40.52 1ehx s ASN 30 CO 0.00 -0.29 -0.18 0.28 -1.51 0.00 0.00 177.10 175.39 1ehx s THR 31 N -2.25 2.67 0.02 1.60 -1.32 -1.26 -4.27 115.64 110.83 1ehx s THR 31 Ca 0.40 -1.90 0.06 0.00 -1.21 0.00 0.00 61.69 59.04 1ehx s THR 31 Cb -0.07 -2.30 -0.03 0.00 -1.51 0.00 0.00 72.50 68.59 1ehx s THR 31 CO 0.27 -0.12 -0.18 0.12 -2.21 0.00 0.00 174.62 172.50 1ehx s PHE 32 N -1.70 2.58 -0.08 9.09 5.36 -1.26 -4.16 117.98 127.81 1ehx s PHE 32 Ca 0.22 -0.25 -0.07 0.00 -0.96 0.00 0.00 56.93 55.88 1ehx s PHE 32 Cb -0.08 -1.49 -0.04 0.00 -0.34 0.00 0.00 43.02 41.06 1ehx s PHE 32 CO 0.12 0.23 -0.16 -1.71 -1.46 0.00 0.00 175.22 172.24 1ehx n ASN 33 N 1.71 1.10 0.00 6.13 2.85 0.31 -4.93 115.26 122.43 1ehx n ASN 33 Ca -0.16 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1ehx n ASN 33 Cb 0.52 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 41.12 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 2.38 3.39 3.43 8.20 0.00 -1.24 -4.93 105.19 116.42 1ehx n GLY 34 Ca -0.17 -0.71 -0.44 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.00 5.26 0.56 -0.61 1.10 -1.25 -1.52 121.20 122.74 1ehx s ILE 35 Ca 0.00 -2.78 0.43 0.00 -0.51 0.00 0.00 60.65 57.79 1ehx s ILE 35 Cb 0.00 -4.83 0.44 0.00 0.15 0.00 0.00 42.46 38.22 1ehx s ILE 35 CO 0.00 -1.51 2.30 0.28 -2.11 0.00 0.00 174.94 173.91 1ehx h SER 36 N 7.12 0.00 -1.29 4.50 0.02 -1.96 -1.79 113.55 120.15 1ehx h SER 36 Ca 0.27 0.00 0.39 0.00 -0.84 0.00 0.00 61.79 61.62 1ehx h SER 36 Cb 0.88 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.32 1ehx h SER 36 CO 1.18 0.00 0.85 -0.08 -1.14 0.00 0.00 176.83 177.64 1ehx h GLU 37 N 0.00 0.14 -3.27 3.45 4.81 -1.83 -3.04 114.58 114.85 1ehx h GLU 37 Ca -0.00 -0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 58.65 1ehx h GLU 37 Cb 0.10 -0.03 -0.40 0.00 0.63 0.00 0.00 28.75 29.05 1ehx h GLU 37 CO 0.00 0.09 -0.77 -0.51 -0.73 0.00 0.00 179.01 177.10 1ehx s LEU 38 N -9.27 1.78 -0.58 1.64 1.43 -0.67 -5.01 118.68 108.00 1ehx s LEU 38 Ca -0.07 -1.66 -0.13 0.00 -1.03 0.00 0.00 54.13 51.24 1ehx s LEU 38 Cb 0.28 -0.72 -0.16 0.00 0.03 0.00 0.00 46.19 45.62 1ehx s LEU 38 CO 0.82 -0.40 1.44 0.00 0.23 0.00 0.00 176.35 178.43 1ehx n GLN 39 N 4.80 0.00 0.00 1.70 3.00 -1.15 -4.35 117.38 121.38 1ehx n GLN 39 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1ehx n GLN 39 Cb 0.41 -0.75 0.00 0.00 0.00 0.00 0.00 30.24 29.90 1ehx n GLN 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1ehx n SER 40 N 4.89 0.00 0.08 1.08 3.41 -1.26 -0.16 113.62 121.66 1ehx n SER 40 Ca 0.39 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 59.20 1ehx n SER 40 Cb 0.04 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 64.69 1ehx n SER 40 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ehx h SER 41 N 0.00 0.00 0.44 4.04 0.87 -1.97 0.92 113.55 117.85 1ehx h SER 41 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1ehx h SER 41 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1ehx h SER 41 CO 0.00 0.00 -0.30 0.06 -0.53 0.00 0.00 176.83 176.06 1ehx h GLN 42 N 0.00 0.00 0.00 2.24 -0.00 -0.75 -3.46 115.11 113.14 1ehx h GLN 42 Ca 0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.73 1ehx h GLN 42 Cb 1.31 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.76 1ehx h GLN 42 CO -0.00 0.30 -0.12 2.48 -0.00 0.00 0.00 178.83 181.49 1ehx n TYR 43 N -3.90 -0.06 -3.57 0.06 0.18 0.32 -3.16 117.16 107.02 1ehx n TYR 43 Ca -0.02 -0.67 -0.29 0.00 1.88 0.00 0.00 57.90 58.80 1ehx n TYR 43 Cb 0.37 0.03 -0.14 0.00 -0.38 0.00 0.00 39.34 39.22 1ehx n TYR 43 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1ehx s THR 44 N -2.09 0.35 0.92 -3.48 -1.32 0.12 -4.87 115.64 105.26 1ehx s THR 44 Ca 0.07 -1.38 -0.12 0.00 -1.21 0.00 0.00 61.69 59.05 1ehx s THR 44 Cb 0.00 -1.27 0.14 0.00 -1.51 0.00 0.00 72.50 69.86 1ehx s THR 44 CO 0.05 -0.82 1.09 -0.75 -2.21 0.00 0.00 174.62 171.98 1ehx s LYS 45 N 1.49 1.10 -0.49 7.08 2.20 -1.26 -0.79 119.74 129.06 1ehx s LYS 45 Ca 0.13 0.86 0.06 0.00 -0.36 0.00 0.00 55.97 56.66 1ehx s LYS 45 Cb -0.19 -1.79 0.23 0.00 -1.51 0.00 0.00 37.83 34.57 1ehx s LYS 45 CO -0.19 -2.36 0.85 0.41 -0.36 0.00 0.00 175.35 173.71 1ehx n GLY 46 N -0.94 -0.03 0.00 5.54 0.00 0.47 -4.84 105.19 105.39 1ehx n GLY 46 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1ehx n GLY 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ehx n THR 47 N 1.89 0.00 0.00 2.61 -1.04 -1.26 -0.84 114.28 115.63 1ehx n THR 47 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1ehx n THR 47 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1ehx n THR 47 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ehx n ASN 48 N 0.93 0.00 -4.09 8.00 3.02 -1.26 -4.98 115.26 116.88 1ehx n ASN 48 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1ehx n ASN 48 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 1ehx n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ehx s GLU 49 N -0.47 1.16 0.10 3.52 2.02 -0.02 0.22 118.70 125.23 1ehx s GLU 49 Ca 0.00 -1.40 -0.24 0.00 0.02 0.00 0.00 54.97 53.34 1ehx s GLU 49 Cb 0.00 0.32 0.07 0.00 0.10 0.00 0.00 34.13 34.62 1ehx s GLU 49 CO 0.00 -0.40 0.60 0.08 0.02 0.00 0.00 175.26 175.56 1ehx s VAL 50 N -4.06 0.01 -0.07 2.63 1.01 -0.53 0.18 120.40 119.57 1ehx s VAL 50 Ca 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 1ehx s VAL 50 Cb 0.05 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.46 1ehx s VAL 50 CO 0.06 -0.03 0.05 -0.89 0.00 0.00 0.00 175.10 174.29 1ehx s THR 51 N -3.03 0.00 0.23 3.92 2.01 0.03 0.20 115.64 119.00 1ehx s THR 51 Ca -0.02 0.27 -0.20 0.00 0.31 0.00 0.00 61.69 62.05 1ehx s THR 51 Cb -0.01 -0.30 -0.08 0.00 0.01 0.00 0.00 72.50 72.12 1ehx s THR 51 CO -0.07 0.13 0.73 -1.48 -0.69 0.00 0.00 174.62 173.25 1ehx s LEU 52 N 2.12 4.34 -0.25 4.42 -0.00 0.13 0.11 118.68 129.55 1ehx s LEU 52 Ca 0.04 1.43 -0.05 0.00 -0.00 0.00 0.00 54.13 55.55 1ehx s LEU 52 Cb -0.13 -3.62 -0.01 0.00 -0.00 0.00 0.00 46.19 42.44 1ehx s LEU 52 CO -0.04 0.02 0.02 -1.48 -0.00 0.00 0.00 176.35 174.87 1ehx s LEU 53 N -2.00 3.30 0.28 1.48 0.05 -1.19 -1.25 118.68 119.35 1ehx s LEU 53 Ca 0.44 -0.44 0.02 0.00 0.05 0.00 0.00 54.13 54.19 1ehx s LEU 53 Cb -0.17 -1.82 0.11 0.00 -2.05 0.00 0.00 46.19 42.26 1ehx s LEU 53 CO 0.21 -0.07 0.80 0.00 -0.55 0.00 0.00 176.35 176.74 1ehx n ALA 54 N 4.84 0.11 -0.06 1.48 0.00 -1.20 -0.52 120.51 125.17 1ehx n ALA 54 Ca -0.17 0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 1ehx n ALA 54 Cb 0.50 -0.14 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1ehx n ALA 54 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ehx h SER 55 N 0.00 0.52 0.00 0.00 0.02 -1.91 0.46 113.55 112.64 1ehx h SER 55 Ca 0.00 -0.52 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1ehx h SER 55 Cb 1.27 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1ehx h SER 55 CO 0.00 0.94 -0.00 0.22 -1.14 0.00 0.00 176.83 176.85 1ehx h TYR 56 N 0.12 -0.00 -0.98 3.45 5.03 -1.04 -3.08 116.97 120.47 1ehx h TYR 56 Ca 0.02 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.43 1ehx h TYR 56 Cb 0.82 0.00 -0.08 0.00 1.55 0.00 0.00 36.73 39.02 1ehx h TYR 56 CO 0.09 0.79 0.61 1.25 -1.32 0.00 0.00 178.16 179.58 1ehx h LEU 57 N -1.00 0.92 -1.80 2.82 5.85 -1.65 0.46 115.31 120.91 1ehx h LEU 57 Ca -0.00 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1ehx h LEU 57 Cb 0.79 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1ehx h LEU 57 CO 0.00 0.52 -0.14 -1.13 -0.34 0.00 0.00 178.44 177.35 1ehx h ASN 58 N 1.01 0.00 1.26 1.25 -1.24 -1.00 -1.69 115.58 115.17 1ehx h ASN 58 Ca 0.47 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.38 1ehx h ASN 58 Cb 0.39 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 1ehx h ASN 58 CO -0.24 0.14 -0.78 0.74 -1.29 0.00 0.00 177.43 176.00 1ehx h THR 59 N 0.00 0.52 -1.98 -3.57 2.02 -0.13 -3.40 112.91 106.38 1ehx h THR 59 Ca -0.00 -1.82 -0.58 0.00 0.77 0.00 0.00 66.41 64.78 1ehx h THR 59 Cb 0.39 2.12 0.20 0.00 -1.74 0.00 0.00 68.15 69.12 1ehx h THR 59 CO 0.02 0.30 -1.38 0.18 0.37 0.00 0.00 175.52 175.00 1ehx n LEU 60 N -3.03 -4.42 -4.14 2.58 4.77 0.40 -4.88 117.00 108.28 1ehx n LEU 60 Ca -0.01 0.49 -0.25 0.00 -0.03 0.00 0.00 56.01 56.21 1ehx n LEU 60 Cb 0.71 -0.81 0.18 0.00 -2.33 0.00 0.00 43.42 41.17 1ehx n LEU 60 CO 0.40 -5.16 -0.15 -2.65 -1.33 0.00 0.00 177.39 168.51 1ehx n PRO 61 N 1.82 -2.36 0.00 3.23 -0.02 -1.26 -4.87 135.00 131.54 1ehx n PRO 61 Ca 0.05 -0.69 0.00 0.00 -2.02 0.00 0.00 63.50 60.83 1ehx n PRO 61 Cb 0.49 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1ehx n PRO 61 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ehx n GLU 62 N -2.39 -0.72 -0.92 -0.52 4.71 -1.26 -4.26 120.64 115.28 1ehx n GLU 62 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1ehx n GLU 62 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.91 1ehx n GLU 62 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1ehx n ASN 63 N -1.96 -1.10 -4.42 1.62 0.23 -1.19 -4.59 115.26 103.85 1ehx n ASN 63 Ca 0.00 -0.62 -0.31 0.00 -0.53 0.00 0.00 54.58 53.12 1ehx n ASN 63 Cb 0.00 -0.10 -0.13 0.00 -2.08 0.00 0.00 39.78 37.46 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 2.25 2.62 -0.87 5.53 -4.23 0.79 -4.93 115.64 116.79 1ehx s THR 64 Ca 0.00 -1.20 -0.21 0.00 -1.18 0.00 0.00 61.69 59.10 1ehx s THR 64 Cb 0.00 -2.07 0.09 0.00 1.34 0.00 0.00 72.50 71.86 1ehx s THR 64 CO 0.00 0.37 1.17 0.28 -0.54 0.00 0.00 174.62 175.91 1ehx s THR 65 N -0.87 4.38 0.52 3.99 -1.32 -1.26 0.04 115.64 121.13 1ehx s THR 65 Ca 0.13 -0.96 -0.21 0.00 -1.21 0.00 0.00 61.69 59.44 1ehx s THR 65 Cb -0.10 -4.83 -0.06 0.00 -1.51 0.00 0.00 72.50 66.00 1ehx s THR 65 CO 0.04 -1.62 1.25 -0.75 -2.21 0.00 0.00 174.62 171.32 1ehx s LYS 66 N 3.75 3.34 -0.03 7.08 2.47 0.48 -4.79 119.74 132.03 1ehx s LYS 66 Ca 0.33 1.95 -0.01 0.00 -1.56 0.00 0.00 55.97 56.69 1ehx s LYS 66 Cb -0.07 -2.23 0.03 0.00 -1.46 0.00 0.00 37.83 34.10 1ehx s LYS 66 CO -0.03 -0.95 0.03 0.99 0.16 0.00 0.00 175.35 175.55 1ehx s THR 67 N -1.47 0.05 -1.05 3.43 2.01 -1.26 0.20 115.64 117.55 1ehx s THR 67 Ca 0.70 0.23 -0.13 0.00 0.31 0.00 0.00 61.69 62.80 1ehx s THR 67 Cb -0.33 -0.21 0.21 0.00 0.01 0.00 0.00 72.50 72.18 1ehx s THR 67 CO 0.39 0.15 1.14 -0.22 -0.69 0.00 0.00 174.62 175.39 1ehx s LEU 68 N 1.49 5.85 -0.92 4.42 2.96 0.14 -4.67 118.68 127.95 1ehx s LEU 68 Ca -0.04 -2.98 -0.21 0.00 -0.22 0.00 0.00 54.13 50.69 1ehx s LEU 68 Cb -0.13 -2.30 0.09 0.00 0.50 0.00 0.00 46.19 44.35 1ehx s LEU 68 CO -0.03 -0.61 1.23 -0.89 -1.32 0.00 0.00 176.35 174.74 1ehx s THR 69 N 0.51 4.32 -0.30 3.68 2.01 -1.26 -1.39 115.64 123.22 1ehx s THR 69 Ca 0.32 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.02 1ehx s THR 69 Cb -0.07 -4.88 -0.02 0.00 0.01 0.00 0.00 72.50 67.54 1ehx s THR 69 CO -0.06 -1.68 1.65 -0.36 -0.69 0.00 0.00 174.62 173.48 1ehx s PHE 70 N 3.88 2.04 -0.72 4.92 0.08 -1.16 -3.97 117.98 123.05 1ehx s PHE 70 Ca 0.36 0.60 -0.26 0.00 0.12 0.00 0.00 56.93 57.76 1ehx s PHE 70 Cb -0.05 -4.10 -0.04 0.00 -0.57 0.00 0.00 43.02 38.27 1ehx s PHE 70 CO -0.06 -2.77 1.93 0.34 -0.10 0.00 0.00 175.22 174.56 1ehx s ASP 71 N 4.91 5.15 -0.26 1.36 2.15 -0.58 -4.16 116.67 125.25 1ehx s ASP 71 Ca 0.73 -0.01 0.07 0.00 0.43 0.00 0.00 52.55 53.77 1ehx s ASP 71 Cb -0.22 -2.54 0.60 0.00 -0.30 0.00 0.00 42.92 40.46 1ehx s ASP 71 CO 0.32 -2.57 1.60 0.49 -0.17 0.00 0.00 175.17 174.83 1ehx n PHE 72 N 13.49 2.01 -1.12 -5.34 3.72 -1.26 0.12 117.46 129.08 1ehx n PHE 72 Ca 0.29 -1.03 -0.08 0.00 -0.05 0.00 0.00 57.45 56.58 1ehx n PHE 72 Cb 0.50 -0.60 -0.04 0.00 -0.94 0.00 0.00 39.48 38.40 1ehx n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ehx n GLY 73 N -0.09 0.81 0.02 1.37 0.00 -1.26 -4.47 105.19 101.57 1ehx n GLY 73 Ca 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.71 0.29 0.00 1.61 0.24 -1.26 -4.52 118.33 112.98 1ehx n VAL 74 Ca -0.08 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1ehx n VAL 74 Cb 0.42 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 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 2.84 0.71 0.29 7.63 0.00 -1.26 -3.08 105.19 112.32 1ehx n GLY 75 Ca -0.07 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1ehx n GLY 75 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ehx h THR 76 N 0.00 0.00 -0.26 2.61 2.02 -1.97 -0.62 112.91 114.68 1ehx h THR 76 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ehx h THR 76 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1ehx h THR 76 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 1ehx n LYS 77 N -4.35 1.65 -1.54 6.66 5.02 -1.26 -4.91 118.16 119.43 1ehx n LYS 77 Ca -0.03 -0.96 -0.50 0.00 -2.02 0.00 0.00 58.31 54.79 1ehx n LYS 77 Cb 0.23 -1.23 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 1ehx n LYS 77 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ehx n ASN 78 N 0.27 2.59 -4.57 4.39 2.85 -0.24 -4.54 115.26 116.00 1ehx n ASN 78 Ca 0.09 0.57 -0.19 0.00 -0.11 0.00 0.00 54.58 54.95 1ehx n ASN 78 Cb 0.24 -1.31 -0.08 0.00 1.24 0.00 0.00 39.78 39.87 1ehx n ASN 78 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1ehx s PRO 79 N 5.51 1.73 -0.24 1.20 0.04 -1.26 -4.85 135.00 137.13 1ehx s PRO 79 Ca 1.04 -0.30 -0.08 0.00 0.04 0.00 0.00 61.00 61.69 1ehx s PRO 79 Cb -0.78 -4.99 -0.04 0.00 0.04 0.00 0.00 34.50 28.74 1ehx s PRO 79 CO 0.50 -4.64 0.10 -1.59 0.04 0.00 0.00 177.00 171.40 1ehx s LYS 80 N 8.00 3.80 0.26 4.56 -2.85 -1.26 -2.98 119.74 129.28 1ehx s LYS 80 Ca 0.80 -0.41 0.05 0.00 -1.00 0.00 0.00 55.97 55.41 1ehx s LYS 80 Cb -0.07 -3.38 -0.03 0.00 -2.06 0.00 0.00 37.83 32.30 1ehx s LYS 80 CO 0.12 -0.08 0.39 -0.48 0.10 0.00 0.00 175.35 175.40 1ehx s LEU 81 N 1.38 4.24 -0.35 2.77 0.05 -0.48 -4.80 118.68 121.48 1ehx s LEU 81 Ca 0.06 0.06 0.01 0.00 0.05 0.00 0.00 54.13 54.31 1ehx s LEU 81 Cb -0.15 -2.88 0.11 0.00 -2.05 0.00 0.00 46.19 41.22 1ehx s LEU 81 CO 0.05 -0.15 0.11 -0.89 -0.55 0.00 0.00 176.35 174.92 1ehx s THR 82 N -2.04 1.43 -0.26 5.48 2.01 0.61 0.27 115.64 123.15 1ehx s THR 82 Ca 0.36 -1.92 -0.10 0.00 0.31 0.00 0.00 61.69 60.34 1ehx s THR 82 Cb -0.09 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 1ehx s THR 82 CO 0.30 -0.69 0.16 -0.51 -0.69 0.00 0.00 174.62 173.19 1ehx s ILE 83 N 1.15 5.23 -0.22 1.82 2.07 0.54 -1.23 121.20 130.56 1ehx s ILE 83 Ca 0.12 0.14 -0.23 0.00 -1.41 0.00 0.00 60.65 59.26 1ehx s ILE 83 Cb -0.19 -3.46 -0.01 0.00 0.13 0.00 0.00 42.46 38.92 1ehx s ILE 83 CO -0.15 0.31 0.75 -0.89 -1.91 0.00 0.00 174.94 173.04 1ehx s THR 84 N 1.38 4.91 -0.28 4.00 2.01 0.78 0.18 115.64 128.62 1ehx s THR 84 Ca 0.07 1.41 -0.08 0.00 0.31 0.00 0.00 61.69 63.40 1ehx s THR 84 Cb -0.15 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1ehx s THR 84 CO 0.07 0.00 0.11 -0.69 -0.69 0.00 0.00 174.62 173.42 1ehx s VAL 85 N 2.47 4.40 0.57 3.82 1.01 0.11 -0.68 120.40 132.10 1ehx s VAL 85 Ca 0.32 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1ehx s VAL 85 Cb -0.16 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1ehx s VAL 85 CO 0.09 0.19 0.92 -0.76 0.00 0.00 0.00 175.10 175.54 1ehx s LEU 86 N 1.60 3.33 -0.17 3.92 1.43 -0.44 -0.15 118.68 128.20 1ehx s LEU 86 Ca 0.05 1.04 -0.35 0.00 -1.03 0.00 0.00 54.13 53.85 1ehx s LEU 86 Cb -0.16 -3.98 -0.12 0.00 0.03 0.00 0.00 46.19 41.96 1ehx s LEU 86 CO 0.05 -0.87 1.93 -0.81 0.23 0.00 0.00 176.35 176.87 1ehx n PRO 87 N -2.57 1.83 -1.58 1.29 -0.04 -1.26 0.46 135.00 133.13 1ehx n PRO 87 Ca 0.04 0.65 -0.43 0.00 -0.04 0.00 0.00 63.50 63.72 1ehx n PRO 87 Cb 0.56 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 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 6.82 1.25 -1.15 0.54 4.01 -1.26 -4.55 118.16 123.82 1ehx n LYS 88 Ca 0.27 0.45 -0.24 0.00 -0.51 0.00 0.00 58.31 58.27 1ehx n LYS 88 Cb 0.27 -1.90 0.15 0.00 -0.51 0.00 0.00 35.03 33.04 1ehx n LYS 88 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1ehx n ASP 89 N 0.87 4.30 -4.23 4.39 9.92 -1.26 -4.82 116.55 125.72 1ehx n ASP 89 Ca 0.10 -3.51 -0.42 0.00 -0.53 0.00 0.00 54.79 50.42 1ehx n ASP 89 Cb 0.37 -0.84 -0.06 0.00 -0.64 0.00 0.00 41.12 39.94 1ehx n ASP 89 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1ehx s ILE 90 N -3.26 4.61 0.40 0.53 2.07 -1.26 -5.07 121.20 119.21 1ehx s ILE 90 Ca 0.54 -2.29 -0.25 0.00 -1.41 0.00 0.00 60.65 57.23 1ehx s ILE 90 Cb 0.45 -3.95 -0.08 0.00 0.13 0.00 0.00 42.46 39.00 1ehx s ILE 90 CO 0.08 -0.89 1.18 -2.16 -1.91 0.00 0.00 174.94 171.25 1ehx s PRO 91 N 0.62 4.05 0.00 3.50 0.04 -1.26 -3.82 135.00 138.13 1ehx s PRO 91 Ca 0.12 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1ehx s PRO 91 Cb -0.20 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1ehx s PRO 91 CO -0.04 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1ehx n GLY 92 N 0.64 1.01 3.15 0.56 0.00 -1.26 -5.06 105.19 104.24 1ehx n GLY 92 Ca 0.04 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.82 1ehx n GLY 92 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ehx s LEU 93 N 0.00 -0.90 0.00 0.99 2.96 -1.25 -5.31 118.68 115.17 1ehx s LEU 93 Ca 0.00 0.57 0.31 0.00 -0.22 0.00 0.00 54.13 54.78 1ehx s LEU 93 Cb 0.00 1.76 1.82 0.00 0.50 0.00 0.00 46.19 50.27 1ehx s LEU 93 CO 0.00 -0.17 2.15 1.21 -1.32 0.00 0.00 176.35 178.22