#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 2.27 -0.40 2.12 -1.52 -1.26 -5.07 119.66 115.79 1ehx s GLN 2 Ca 0.00 -1.93 0.08 0.00 -1.95 0.00 0.00 55.36 51.56 1ehx s GLN 2 Cb 0.00 -2.22 0.43 0.00 -0.22 0.00 0.00 33.01 31.00 1ehx s GLN 2 CO 0.00 -0.68 1.08 -0.40 -0.25 0.00 0.00 175.29 175.04 1ehx n ASP 3 N -1.88 3.92 -4.74 5.90 5.68 -1.26 -5.08 116.55 119.09 1ehx n ASP 3 Ca 0.02 -3.46 -0.41 0.00 -0.50 0.00 0.00 54.79 50.44 1ehx n ASP 3 Cb 0.64 -0.47 -0.04 0.00 -1.14 0.00 0.00 41.12 40.10 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 -3.45 4.68 -0.30 0.11 0.04 -1.26 -4.69 135.00 130.13 1ehx s PRO 4 Ca 0.43 1.58 0.02 0.00 0.04 0.00 0.00 61.00 63.07 1ehx s PRO 4 Cb 0.41 -3.32 0.08 0.00 0.04 0.00 0.00 34.50 31.71 1ehx s PRO 4 CO -0.13 0.20 -0.02 0.99 0.04 0.00 0.00 177.00 178.09 1ehx s THR 5 N -0.31 2.38 0.30 1.26 2.01 -0.62 -4.93 115.64 115.72 1ehx s THR 5 Ca 0.47 -1.88 0.03 0.00 0.31 0.00 0.00 61.69 60.61 1ehx s THR 5 Cb -0.26 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 1ehx s THR 5 CO 0.33 -0.28 0.10 2.30 -0.69 0.00 0.00 174.62 176.37 1ehx n ILE 6 N 4.40 0.00 -0.99 1.82 -5.35 -1.26 0.95 119.36 118.93 1ehx n ILE 6 Ca -0.07 -1.70 -0.38 0.00 -0.27 0.00 0.00 62.75 60.33 1ehx n ILE 6 Cb 0.42 0.59 0.03 0.00 -1.74 0.00 0.00 39.64 38.94 1ehx n ILE 6 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1ehx n ASN 7 N -1.65 -3.35 -2.74 7.28 0.23 -1.08 -4.93 115.26 109.02 1ehx n ASN 7 Ca -0.05 0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 1ehx n ASN 7 Cb 0.44 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 1ehx n ASN 7 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1ehx n PRO 8 N 2.48 2.10 0.00 -0.53 -0.02 -1.26 -4.96 135.00 132.81 1ehx n PRO 8 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1ehx n PRO 8 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.21 1ehx n PRO 8 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ehx n THR 9 N -0.44 0.00 -3.64 3.45 -1.04 -1.26 -4.47 114.28 106.88 1ehx n THR 9 Ca 0.00 -0.34 -0.08 0.00 -2.04 0.00 0.00 64.05 61.59 1ehx n THR 9 Cb 0.00 1.29 -0.07 0.00 -1.82 0.00 0.00 70.33 69.73 1ehx n THR 9 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ehx s SER 10 N -0.08 -0.37 0.16 8.00 1.04 -1.26 -0.05 113.70 121.15 1ehx s SER 10 Ca 0.00 0.69 -0.08 0.00 0.48 0.00 0.00 55.95 57.05 1ehx s SER 10 Cb 0.00 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 1ehx s SER 10 CO 0.00 -0.13 0.25 0.27 0.98 0.00 0.00 173.24 174.61 1ehx s ILE 11 N 0.13 0.07 -0.03 -1.02 -4.36 0.77 -4.86 121.20 111.90 1ehx s ILE 11 Ca 0.04 -1.46 -0.02 0.00 -0.26 0.00 0.00 60.65 58.95 1ehx s ILE 11 Cb -0.05 -1.87 0.02 0.00 1.25 0.00 0.00 42.46 41.81 1ehx s ILE 11 CO -0.08 -0.32 0.07 -0.44 0.24 0.00 0.00 174.94 174.41 1ehx s SER 12 N -2.98 -0.05 -0.04 4.36 0.01 -1.26 0.47 113.70 114.22 1ehx s SER 12 Ca 0.18 0.14 -0.30 0.00 1.31 0.00 0.00 55.95 57.28 1ehx s SER 12 Cb 0.04 0.10 0.11 0.00 0.21 0.00 0.00 66.02 66.48 1ehx s SER 12 CO 0.00 -0.06 1.06 0.00 0.41 0.00 0.00 173.24 174.65 1ehx s ALA 13 N 0.38 -1.93 0.31 1.44 0.00 -0.24 -4.90 121.76 116.82 1ehx s ALA 13 Ca -0.03 0.99 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 1ehx s ALA 13 Cb -0.04 0.28 -0.10 0.00 0.00 0.00 0.00 23.12 23.26 1ehx s ALA 13 CO -0.01 -0.78 1.20 0.21 0.00 0.00 0.00 175.76 176.39 1ehx s LYS 14 N -2.83 4.47 -0.50 0.00 2.20 -1.25 -1.39 119.74 120.43 1ehx s LYS 14 Ca 0.09 2.01 -0.26 0.00 -0.36 0.00 0.00 55.97 57.44 1ehx s LYS 14 Cb -0.00 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 1ehx s LYS 14 CO -0.05 -0.01 2.20 0.00 -0.36 0.00 0.00 175.35 177.12 1ehx s ALA 15 N -1.17 1.94 0.00 3.13 0.00 -1.07 -0.58 121.76 124.00 1ehx s ALA 15 Ca 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1ehx s ALA 15 Cb -0.36 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 18.47 1ehx s ALA 15 CO 0.47 -4.08 0.00 0.41 0.00 0.00 0.00 175.76 172.56 1ehx n GLY 16 N 5.86 3.57 0.00 0.00 0.00 -1.26 -4.36 105.19 109.00 1ehx n GLY 16 Ca 0.31 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.17 1.61 3.41 0.25 -4.13 113.62 110.59 1ehx n SER 17 Ca 0.00 -0.92 -0.44 0.00 -0.26 0.00 0.00 58.87 57.25 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 -0.52 3.76 -1.96 7.33 3.72 -1.26 -4.91 117.46 123.63 1ehx n PHE 18 Ca 0.00 -3.22 -0.34 0.00 -0.05 0.00 0.00 57.45 53.85 1ehx n PHE 18 Cb 0.00 -1.54 0.03 0.00 -0.94 0.00 0.00 39.48 37.03 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 -1.75 2.54 -0.36 4.37 0.00 -1.26 -3.00 121.76 122.29 1ehx s ALA 19 Ca 0.32 0.75 -0.33 0.00 0.00 0.00 0.00 51.96 52.70 1ehx s ALA 19 Cb -0.02 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 1ehx s ALA 19 CO 0.01 -1.11 1.36 -3.47 0.00 0.00 0.00 175.76 172.55 1ehx n ASP 20 N -1.89 0.70 -4.04 0.00 -0.08 -1.26 -4.58 116.55 105.40 1ehx n ASP 20 Ca 0.12 0.67 -0.30 0.00 -1.51 0.00 0.00 54.79 53.76 1ehx n ASP 20 Cb 0.51 -0.64 -0.16 0.00 2.34 0.00 0.00 41.12 43.16 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 3.29 1.59 -0.26 5.18 2.01 -0.25 -4.94 115.64 122.26 1ehx s THR 21 Ca 0.81 -0.66 -0.19 0.00 0.31 0.00 0.00 61.69 61.96 1ehx s THR 21 Cb -1.08 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 1ehx s THR 21 CO 0.53 0.46 0.58 -1.59 -0.69 0.00 0.00 174.62 173.91 1ehx s LYS 22 N 1.34 4.06 0.31 4.92 0.00 -1.26 -0.06 119.74 129.05 1ehx s LYS 22 Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 55.97 56.39 1ehx s LYS 22 Cb -0.13 -3.66 -0.04 0.00 0.00 0.00 0.00 37.83 34.00 1ehx s LYS 22 CO -0.08 -0.41 0.51 0.42 0.00 0.00 0.00 175.35 175.79 1ehx s ILE 23 N 2.43 5.12 -0.22 3.79 1.01 0.26 -4.89 121.20 128.70 1ehx s ILE 23 Ca 0.24 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 1ehx s ILE 23 Cb -0.15 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 1ehx s ILE 23 CO 0.09 -0.46 -0.01 -0.89 0.00 0.00 0.00 174.94 173.67 1ehx s THR 24 N -2.20 3.71 -0.65 2.92 2.01 -1.26 -1.46 115.64 118.70 1ehx s THR 24 Ca 0.40 -0.39 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 1ehx s THR 24 Cb -0.10 -2.69 0.17 0.00 0.01 0.00 0.00 72.50 69.89 1ehx s THR 24 CO 0.34 0.41 0.51 -0.76 -0.69 0.00 0.00 174.62 174.43 1ehx s LEU 25 N 1.33 5.77 -0.35 4.42 1.02 0.43 -2.62 118.68 128.68 1ehx s LEU 25 Ca 0.04 -2.60 -0.28 0.00 0.02 0.00 0.00 54.13 51.30 1ehx s LEU 25 Cb -0.15 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.06 1ehx s LEU 25 CO -0.00 -0.50 1.71 -0.89 0.02 0.00 0.00 176.35 176.69 1ehx s THR 26 N 0.31 3.57 -0.92 5.49 2.01 0.27 -4.12 115.64 122.25 1ehx s THR 26 Ca 0.15 0.58 0.17 0.00 0.31 0.00 0.00 61.69 62.90 1ehx s THR 26 Cb -0.19 -3.77 0.76 0.00 0.01 0.00 0.00 72.50 69.32 1ehx s THR 26 CO -0.04 -0.49 1.68 -0.81 -0.69 0.00 0.00 174.62 174.26 1ehx n PRO 27 N 8.35 4.09 0.11 4.92 -0.04 -1.26 -1.58 135.00 149.58 1ehx n PRO 27 Ca 0.21 -2.99 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1ehx n PRO 27 Cb 0.47 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 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 1.03 0.00 -0.10 3.54 5.15 -1.26 -0.77 115.26 122.86 1ehx n ASN 28 Ca 0.27 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 1ehx n ASN 28 Cb 0.99 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.24 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 -1.05 0.59 3.21 8.20 0.00 -1.26 -5.14 105.19 109.74 1ehx n GLY 29 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.16 0.20 1.61 0.01 0.05 -4.69 114.94 112.28 1ehx s ASN 30 Ca 0.00 -1.36 0.09 0.00 -0.71 0.00 0.00 52.86 50.87 1ehx s ASN 30 Cb 0.00 0.38 -0.05 0.00 0.41 0.00 0.00 41.25 41.99 1ehx s ASN 30 CO 0.00 -0.84 -0.17 0.28 -1.51 0.00 0.00 177.10 174.87 1ehx s THR 31 N -4.15 1.86 -0.04 1.60 -1.32 -1.26 -4.38 115.64 107.96 1ehx s THR 31 Ca 0.37 -2.12 0.04 0.00 -1.21 0.00 0.00 61.69 58.77 1ehx s THR 31 Cb 0.07 -2.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.06 1ehx s THR 31 CO 0.11 -0.46 -0.14 0.12 -2.21 0.00 0.00 174.62 172.04 1ehx s PHE 32 N -2.55 1.43 -0.21 9.09 5.36 -1.26 -4.16 117.98 125.68 1ehx s PHE 32 Ca 0.21 -0.39 -0.15 0.00 -0.96 0.00 0.00 56.93 55.63 1ehx s PHE 32 Cb -0.03 -0.98 -0.08 0.00 -0.34 0.00 0.00 43.02 41.59 1ehx s PHE 32 CO 0.08 -0.14 -0.33 -1.71 -1.46 0.00 0.00 175.22 171.66 1ehx n ASN 33 N 3.18 1.86 0.00 6.13 2.85 0.69 -4.97 115.26 125.00 1ehx n ASN 33 Ca -0.18 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1ehx n ASN 33 Cb 0.53 -0.74 0.00 0.00 1.24 0.00 0.00 39.78 40.82 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 1.49 1.14 3.26 8.20 0.00 -1.25 -4.99 105.19 113.04 1ehx n GLY 34 Ca -0.30 -0.92 -0.44 0.00 0.00 0.00 0.00 46.02 44.36 1ehx n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ehx s ILE 35 N -2.00 4.98 0.22 -0.61 1.01 -1.26 -1.17 121.20 122.37 1ehx s ILE 35 Ca 0.00 -2.35 -0.08 0.00 0.00 0.00 0.00 60.65 58.22 1ehx s ILE 35 Cb 0.00 -4.14 0.16 0.00 0.01 0.00 0.00 42.46 38.49 1ehx s ILE 35 CO 0.00 -0.94 1.79 0.28 0.00 0.00 0.00 174.94 176.07 1ehx h SER 36 N 7.87 0.52 -1.76 3.58 0.02 -1.96 -0.15 113.55 121.67 1ehx h SER 36 Ca -0.02 0.05 0.52 0.00 -0.84 0.00 0.00 61.79 61.50 1ehx h SER 36 Cb 1.03 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 63.44 1ehx h SER 36 CO 0.80 0.32 1.24 -0.08 -1.14 0.00 0.00 176.83 177.97 1ehx h GLU 37 N 0.66 0.01 -2.64 3.45 4.22 -1.83 -2.28 114.58 116.17 1ehx h GLU 37 Ca 0.33 -0.00 -0.59 0.00 0.08 0.00 0.00 59.36 59.18 1ehx h GLU 37 Cb 0.28 -0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.14 1ehx h GLU 37 CO -0.23 0.01 -0.84 -0.48 -2.18 0.00 0.00 179.01 175.29 1ehx s LEU 38 N -8.24 1.93 -0.54 1.64 2.34 -0.07 -5.00 118.68 110.73 1ehx s LEU 38 Ca -0.05 -2.79 -0.05 0.00 0.06 0.00 0.00 54.13 51.29 1ehx s LEU 38 Cb 0.27 -0.68 -0.18 0.00 -0.56 0.00 0.00 46.19 45.03 1ehx s LEU 38 CO 0.87 -0.22 1.21 0.00 -1.06 0.00 0.00 176.35 177.15 1ehx n GLN 39 N 3.26 0.00 0.00 1.48 10.64 -0.86 -4.18 117.38 127.72 1ehx n GLN 39 Ca 0.19 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 1ehx n GLN 39 Cb 0.40 -0.59 0.00 0.00 -0.86 0.00 0.00 30.24 29.19 1ehx n GLN 39 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1ehx n SER 40 N 3.20 0.00 -0.08 2.61 7.64 -1.25 -0.94 113.62 124.80 1ehx n SER 40 Ca 0.37 0.00 0.26 0.00 1.01 0.00 0.00 58.87 60.50 1ehx n SER 40 Cb 0.10 0.00 0.71 0.00 -1.01 0.00 0.00 64.21 64.01 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 -0.02 6.43 0.87 -1.95 1.22 113.55 120.09 1ehx h SER 41 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 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 -0.09 1.56 -0.53 0.00 0.00 176.83 177.77 1ehx h GLN 42 N 0.00 0.26 0.00 2.24 7.50 -1.21 -3.45 115.11 120.46 1ehx h GLN 42 Ca 0.35 -0.05 -0.23 0.00 0.50 0.00 0.00 58.65 59.22 1ehx h GLN 42 Cb 1.60 -0.04 -0.05 0.00 0.05 0.00 0.00 27.48 29.05 1ehx h GLN 42 CO -0.00 0.36 -0.17 2.48 -1.50 0.00 0.00 178.83 180.00 1ehx n TYR 43 N -4.30 0.29 -3.55 2.96 0.18 0.42 -3.11 117.16 110.05 1ehx n TYR 43 Ca -0.00 -0.93 -0.29 0.00 1.88 0.00 0.00 57.90 58.56 1ehx n TYR 43 Cb 0.24 -0.08 -0.13 0.00 -0.38 0.00 0.00 39.34 39.00 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 -1.82 0.51 0.87 -3.48 2.01 0.17 -4.88 115.64 109.01 1ehx s THR 44 Ca 0.03 -1.87 -0.11 0.00 0.31 0.00 0.00 61.69 60.04 1ehx s THR 44 Cb 0.00 -1.38 0.11 0.00 0.01 0.00 0.00 72.50 71.25 1ehx s THR 44 CO 0.02 -0.93 1.09 -0.75 -0.69 0.00 0.00 174.62 173.36 1ehx s LYS 45 N 0.96 1.49 -0.48 4.92 2.20 -1.26 -1.51 119.74 126.06 1ehx s LYS 45 Ca 0.17 0.99 0.06 0.00 -0.36 0.00 0.00 55.97 56.83 1ehx s LYS 45 Cb -0.23 -1.82 0.22 0.00 -1.51 0.00 0.00 37.83 34.49 1ehx s LYS 45 CO -0.02 -2.12 0.78 0.41 -0.36 0.00 0.00 175.35 174.03 1ehx n GLY 46 N -1.00 0.26 0.00 5.54 0.00 0.48 -4.86 105.19 105.62 1ehx n GLY 46 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ehx n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ehx n THR 47 N 2.05 0.00 0.00 2.61 5.66 -1.26 -0.67 114.28 122.67 1ehx n THR 47 Ca 0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 1ehx n THR 47 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1ehx n THR 47 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1ehx n ASN 48 N 0.68 0.00 -3.87 1.09 3.02 -1.26 -4.98 115.26 109.94 1ehx n ASN 48 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1ehx n ASN 48 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.59 1.28 -0.28 3.52 2.02 0.15 0.16 118.70 124.96 1ehx s GLU 49 Ca 0.00 -1.05 -0.18 0.00 0.02 0.00 0.00 54.97 53.76 1ehx s GLU 49 Cb 0.00 0.44 0.12 0.00 0.10 0.00 0.00 34.13 34.79 1ehx s GLU 49 CO 0.00 -0.51 0.88 0.54 0.02 0.00 0.00 175.26 176.19 1ehx s VAL 50 N -3.93 0.00 -0.01 2.63 0.11 -0.54 0.18 120.40 118.85 1ehx s VAL 50 Ca 0.14 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.23 1ehx s VAL 50 Cb 0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1ehx s VAL 50 CO -0.01 0.00 -0.10 0.28 -3.33 0.00 0.00 175.10 171.94 1ehx s THR 51 N 1.17 3.38 -0.02 5.04 -1.32 -0.57 0.91 115.64 124.24 1ehx s THR 51 Ca -0.07 -0.80 -0.02 0.00 -1.21 0.00 0.00 61.69 59.59 1ehx s THR 51 Cb -0.04 -2.42 -0.04 0.00 -1.51 0.00 0.00 72.50 68.48 1ehx s THR 51 CO -0.14 0.45 0.14 -1.48 -2.21 0.00 0.00 174.62 171.38 1ehx s LEU 52 N -1.21 4.21 -0.24 9.08 -0.00 0.92 0.42 118.68 131.86 1ehx s LEU 52 Ca 0.15 0.29 -0.11 0.00 -0.00 0.00 0.00 54.13 54.46 1ehx s LEU 52 Cb -0.11 -2.45 -0.05 0.00 -0.00 0.00 0.00 46.19 43.58 1ehx s LEU 52 CO 0.05 0.28 0.17 -0.76 -0.00 0.00 0.00 176.35 176.09 1ehx s LEU 53 N -1.78 4.10 0.11 1.48 1.43 -1.18 -1.09 118.68 121.76 1ehx s LEU 53 Ca 0.25 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1ehx s LEU 53 Cb -0.12 -2.12 0.12 0.00 0.03 0.00 0.00 46.19 44.10 1ehx s LEU 53 CO 0.16 0.05 0.77 0.00 0.23 0.00 0.00 176.35 177.55 1ehx n ALA 54 N 4.39 0.28 -0.04 4.21 0.00 -1.16 -0.35 120.51 127.84 1ehx n ALA 54 Ca -0.15 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1ehx n ALA 54 Cb 0.52 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 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 0.25 0.56 0.00 0.02 -1.90 0.18 113.55 112.65 1ehx h SER 55 Ca 0.00 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.41 1ehx h SER 55 Cb 0.84 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.32 1ehx h SER 55 CO 0.00 0.71 -0.27 0.22 -1.14 0.00 0.00 176.83 176.35 1ehx h TYR 56 N -0.21 -0.69 -0.65 3.45 3.20 -0.92 -0.96 116.97 120.18 1ehx h TYR 56 Ca 0.01 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.00 1ehx h TYR 56 Cb 0.65 0.23 -0.11 0.00 1.54 0.00 0.00 36.73 39.04 1ehx h TYR 56 CO 0.10 -0.43 0.04 1.25 -1.64 0.00 0.00 178.16 177.48 1ehx h LEU 57 N -1.20 -0.21 -1.56 2.82 5.85 -1.65 0.55 115.31 119.92 1ehx h LEU 57 Ca -0.08 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1ehx h LEU 57 Cb 0.58 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1ehx h LEU 57 CO 0.13 -0.10 -0.23 -1.13 -0.34 0.00 0.00 178.44 176.76 1ehx h ASN 58 N 0.15 0.00 0.03 1.25 -0.00 -0.67 -2.56 115.58 113.78 1ehx h ASN 58 Ca 0.35 0.00 -0.14 0.00 -0.00 0.00 0.00 56.30 56.51 1ehx h ASN 58 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.89 1ehx h ASN 58 CO -0.53 0.23 -0.45 0.74 -0.00 0.00 0.00 177.43 177.42 1ehx h THR 59 N 0.00 1.31 -1.37 -3.57 2.02 0.15 -3.41 112.91 108.04 1ehx h THR 59 Ca -0.00 -1.64 -0.72 0.00 0.77 0.00 0.00 66.41 64.81 1ehx h THR 59 Cb 0.47 1.65 0.06 0.00 -1.74 0.00 0.00 68.15 68.58 1ehx h THR 59 CO 0.03 0.51 0.19 0.18 0.37 0.00 0.00 175.52 176.81 1ehx n LEU 60 N -4.00 0.72 0.00 2.58 7.99 -0.35 -4.94 117.00 119.00 1ehx n LEU 60 Ca -0.02 1.14 0.00 0.00 -0.01 0.00 0.00 56.01 57.12 1ehx n LEU 60 Cb 0.54 -1.06 0.00 0.00 -0.11 0.00 0.00 43.42 42.79 1ehx n LEU 60 CO 0.45 -1.58 0.00 -2.65 -1.51 0.00 0.00 177.39 172.10 1ehx n PRO 61 N 1.87 0.97 0.00 3.23 -0.02 -1.26 -4.84 135.00 134.95 1ehx n PRO 61 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1ehx n PRO 61 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.63 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 -0.21 -0.11 -0.85 -0.52 4.71 -1.26 -4.20 120.64 118.19 1ehx n GLU 62 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1ehx n GLU 62 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1ehx n GLU 62 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1ehx n ASN 63 N -1.57 -0.75 -4.88 1.62 2.85 -1.03 -4.57 115.26 106.94 1ehx n ASN 63 Ca 0.00 -0.48 -0.34 0.00 -0.11 0.00 0.00 54.58 53.66 1ehx n ASN 63 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 1ehx n ASN 63 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1ehx s THR 64 N 2.45 5.14 -1.08 -0.44 -4.23 0.06 -4.87 115.64 112.67 1ehx s THR 64 Ca 0.00 0.28 -0.07 0.00 -1.18 0.00 0.00 61.69 60.72 1ehx s THR 64 Cb 0.00 -3.63 0.28 0.00 1.34 0.00 0.00 72.50 70.49 1ehx s THR 64 CO 0.00 0.22 1.12 0.41 -0.54 0.00 0.00 174.62 175.83 1ehx n THR 65 N 0.67 4.44 -2.03 3.99 -1.04 -1.26 -0.06 114.28 118.99 1ehx n THR 65 Ca -0.07 -5.42 -0.41 0.00 -2.04 0.00 0.00 64.05 56.11 1ehx n THR 65 Cb 0.52 -2.49 -0.02 0.00 -1.82 0.00 0.00 70.33 66.53 1ehx n THR 65 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1ehx s LYS 66 N -1.52 4.29 -0.29 -2.82 -0.14 0.25 -4.78 119.74 114.74 1ehx s LYS 66 Ca 0.31 2.31 0.00 0.00 -1.36 0.00 0.00 55.97 57.23 1ehx s LYS 66 Cb -0.07 -3.04 0.09 0.00 -1.68 0.00 0.00 37.83 33.12 1ehx s LYS 66 CO -0.06 -0.28 0.05 -0.08 -0.76 0.00 0.00 175.35 174.21 1ehx s THR 67 N -1.11 1.28 -1.14 2.17 -1.32 -1.26 0.30 115.64 114.56 1ehx s THR 67 Ca 0.50 -1.47 -0.23 0.00 -1.21 0.00 0.00 61.69 59.27 1ehx s THR 67 Cb -0.42 -1.85 -0.10 0.00 -1.51 0.00 0.00 72.50 68.63 1ehx s THR 67 CO 0.55 -0.48 1.96 -0.76 -2.21 0.00 0.00 174.62 173.68 1ehx s LEU 68 N 1.44 2.99 -1.13 9.08 1.02 0.11 -4.68 118.68 127.52 1ehx s LEU 68 Ca 0.05 -1.47 -0.21 0.00 0.02 0.00 0.00 54.13 52.53 1ehx s LEU 68 Cb -0.18 -2.59 0.06 0.00 0.02 0.00 0.00 46.19 43.51 1ehx s LEU 68 CO -0.16 -3.22 1.55 -0.89 0.02 0.00 0.00 176.35 173.65 1ehx s THR 69 N 11.56 4.04 -0.43 5.49 2.01 -1.26 -0.91 115.64 136.15 1ehx s THR 69 Ca 0.70 -1.27 -0.28 0.00 0.31 0.00 0.00 61.69 61.15 1ehx s THR 69 Cb -0.02 -5.10 -0.01 0.00 0.01 0.00 0.00 72.50 67.37 1ehx s THR 69 CO 0.12 -1.96 1.75 -0.36 -0.69 0.00 0.00 174.62 173.48 1ehx s PHE 70 N 4.56 1.87 -0.60 4.92 0.08 -1.17 -4.01 117.98 123.63 1ehx s PHE 70 Ca 0.49 0.68 -0.27 0.00 0.12 0.00 0.00 56.93 57.95 1ehx s PHE 70 Cb 0.01 -4.15 -0.02 0.00 -0.57 0.00 0.00 43.02 38.29 1ehx s PHE 70 CO -0.03 -2.58 1.88 0.34 -0.10 0.00 0.00 175.22 174.74 1ehx s ASP 71 N 6.30 5.25 -0.36 1.36 2.15 -0.32 -4.35 116.67 126.70 1ehx s ASP 71 Ca 0.72 0.40 0.07 0.00 0.43 0.00 0.00 52.55 54.18 1ehx s ASP 71 Cb -0.18 -2.53 0.62 0.00 -0.30 0.00 0.00 42.92 40.53 1ehx s ASP 71 CO 0.29 -2.38 1.71 0.49 -0.17 0.00 0.00 175.17 175.11 1ehx n PHE 72 N 12.83 2.15 -0.21 -5.34 3.01 -1.26 -0.23 117.46 128.42 1ehx n PHE 72 Ca 0.21 -1.62 0.00 0.00 1.01 0.00 0.00 57.45 57.05 1ehx n PHE 72 Cb 0.52 -0.71 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 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 -0.96 1.90 2.42 1.37 0.00 -1.26 -4.52 105.19 104.13 1ehx n GLY 73 Ca 0.46 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 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 2.03 -0.66 1.61 0.24 -1.26 -4.87 118.33 113.42 1ehx n VAL 74 Ca 0.00 -4.12 0.50 0.00 -2.04 0.00 0.00 64.34 58.69 1ehx n VAL 74 Cb 0.00 -0.54 0.77 0.00 -1.47 0.00 0.00 33.84 32.60 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 -0.50 -0.94 0.34 7.63 0.00 -1.26 -0.81 105.19 109.66 1ehx n GLY 75 Ca 0.31 0.65 0.15 0.00 0.00 0.00 0.00 46.02 47.13 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 -3.81 -0.42 -1.78 2.61 -1.04 -1.26 -2.75 114.28 105.84 1ehx n THR 76 Ca 0.42 2.17 0.00 0.00 -2.04 0.00 0.00 64.05 64.60 1ehx n THR 76 Cb 1.92 -3.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 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 -5.47 0.00 -1.30 -2.82 2.85 -0.04 -5.12 118.16 106.25 1ehx n LYS 77 Ca 0.24 -0.76 -0.38 0.00 -1.05 0.00 0.00 58.31 56.35 1ehx n LYS 77 Cb 0.78 -0.44 0.03 0.00 -0.65 0.00 0.00 35.03 34.75 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 0.00 -2.51 -4.55 -5.58 6.94 0.01 -4.70 115.26 104.87 1ehx n ASN 78 Ca 0.00 0.63 -0.33 0.00 -0.02 0.00 0.00 54.58 54.87 1ehx n ASN 78 Cb 0.63 -1.02 -0.04 0.00 -2.36 0.00 0.00 39.78 37.00 1ehx n ASN 78 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ehx s PRO 79 N -1.78 2.04 -0.25 -0.53 0.04 -1.26 -4.89 135.00 128.38 1ehx s PRO 79 Ca 0.61 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.71 1ehx s PRO 79 Cb -0.43 -4.61 -0.03 0.00 0.04 0.00 0.00 34.50 29.47 1ehx s PRO 79 CO 0.62 -3.44 0.44 -1.59 0.04 0.00 0.00 177.00 173.07 1ehx s LYS 80 N 8.31 4.08 -0.98 4.56 0.00 -1.26 -3.04 119.74 131.41 1ehx s LYS 80 Ca 0.95 0.20 -0.12 0.00 0.00 0.00 0.00 55.97 57.00 1ehx s LYS 80 Cb -0.16 -3.63 0.23 0.00 0.00 0.00 0.00 37.83 34.28 1ehx s LYS 80 CO 0.23 -0.25 0.98 -1.17 0.00 0.00 0.00 175.35 175.14 1ehx s LEU 81 N 1.98 6.36 -0.91 2.77 2.96 -0.08 -4.11 118.68 127.65 1ehx s LEU 81 Ca 0.19 -3.03 -0.24 0.00 -0.22 0.00 0.00 54.13 50.82 1ehx s LEU 81 Cb -0.15 -2.24 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 1ehx s LEU 81 CO 0.09 -0.51 1.95 -0.89 -1.32 0.00 0.00 176.35 175.67 1ehx s THR 82 N -0.13 3.45 -0.10 3.68 2.01 0.93 0.10 115.64 125.59 1ehx s THR 82 Ca 0.26 -0.38 -0.19 0.00 0.31 0.00 0.00 61.69 61.69 1ehx s THR 82 Cb -0.09 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1ehx s THR 82 CO -0.08 -0.94 0.51 -0.51 -0.69 0.00 0.00 174.62 172.91 1ehx s ILE 83 N 10.12 5.14 -0.28 1.82 2.07 0.88 -0.16 121.20 140.79 1ehx s ILE 83 Ca 0.70 1.04 -0.16 0.00 -1.41 0.00 0.00 60.65 60.82 1ehx s ILE 83 Cb -0.07 -3.85 -0.03 0.00 0.13 0.00 0.00 42.46 38.64 1ehx s ILE 83 CO -0.00 0.33 0.43 -0.89 -1.91 0.00 0.00 174.94 172.90 1ehx s THR 84 N 0.52 5.13 -0.42 4.00 2.01 0.18 0.87 115.64 127.92 1ehx s THR 84 Ca 0.28 0.60 -0.11 0.00 0.31 0.00 0.00 61.69 62.76 1ehx s THR 84 Cb -0.16 -3.77 0.06 0.00 0.01 0.00 0.00 72.50 68.64 1ehx s THR 84 CO 0.12 0.08 0.29 -0.69 -0.69 0.00 0.00 174.62 173.72 1ehx s VAL 85 N 2.17 4.61 -0.54 3.82 1.01 0.92 -1.08 120.40 131.30 1ehx s VAL 85 Ca 0.17 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1ehx s VAL 85 Cb -0.16 -3.74 0.14 0.00 0.00 0.00 0.00 36.38 32.63 1ehx s VAL 85 CO 0.10 -0.46 0.32 -1.48 0.00 0.00 0.00 175.10 173.58 1ehx s LEU 86 N 1.52 3.83 0.39 3.92 2.34 -0.49 -0.76 118.68 129.44 1ehx s LEU 86 Ca 0.03 -3.15 0.17 0.00 0.06 0.00 0.00 54.13 51.24 1ehx s LEU 86 Cb -0.22 -1.40 0.82 0.00 -0.56 0.00 0.00 46.19 44.83 1ehx s LEU 86 CO 0.05 -0.20 1.83 1.55 -1.06 0.00 0.00 176.35 178.52 1ehx h PRO 87 N 6.20 0.00 -6.79 1.48 0.13 -1.80 -2.84 132.00 128.39 1ehx h PRO 87 Ca 0.02 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.63 1ehx h PRO 87 Cb 0.86 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.06 1ehx h PRO 87 CO 0.62 0.34 0.74 -1.59 -0.23 0.00 0.00 178.00 177.88 1ehx s LYS 88 N -3.98 4.27 -0.35 0.86 0.00 -1.26 -4.77 119.74 114.51 1ehx s LYS 88 Ca -0.02 2.31 -0.29 0.00 0.00 0.00 0.00 55.97 57.97 1ehx s LYS 88 Cb 0.13 -3.09 0.02 0.00 0.00 0.00 0.00 37.83 34.89 1ehx s LYS 88 CO 0.69 -0.39 1.15 0.16 0.00 0.00 0.00 175.35 176.95 1ehx s ASP 89 N 0.18 6.80 0.33 0.03 -4.77 -1.26 -4.62 116.67 113.36 1ehx s ASP 89 Ca 0.57 0.96 0.00 0.00 -3.30 0.00 0.00 52.55 50.78 1ehx s ASP 89 Cb -0.42 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 38.87 1ehx s ASP 89 CO 0.47 -1.02 0.00 -0.38 0.70 0.00 0.00 175.17 174.94 1ehx n ILE 90 N 6.18 0.00 -1.64 2.11 5.41 -1.26 -5.15 119.36 125.00 1ehx n ILE 90 Ca 0.13 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.58 1ehx n ILE 90 Cb 0.47 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.51 1ehx n ILE 90 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1ehx s PRO 91 N -1.70 1.75 0.00 0.38 0.04 -1.26 -4.73 135.00 129.48 1ehx s PRO 91 Ca 0.00 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1ehx s PRO 91 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1ehx s PRO 91 CO 0.00 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.66 1ehx n GLY 92 N -2.46 1.86 3.52 0.56 0.00 -1.26 -5.04 105.19 102.37 1ehx n GLY 92 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1ehx n GLY 92 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ehx n LEU 93 N 0.00 3.52 0.00 0.99 7.94 -1.26 -5.30 117.00 122.89 1ehx n LEU 93 Ca 0.00 -3.28 0.10 0.00 -1.11 0.00 0.00 56.01 51.72 1ehx n LEU 93 Cb 0.00 -1.68 0.58 0.00 0.53 0.00 0.00 43.42 42.85 1ehx n LEU 93 CO 0.00 -1.34 0.77 1.21 -1.11 0.00 0.00 177.39 176.92