#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 -0.03 -0.41 0.03 -1.52 -1.26 -5.06 119.66 111.41 1ehx s GLN 2 Ca 0.00 -0.45 0.07 0.00 -1.95 0.00 0.00 55.36 53.03 1ehx s GLN 2 Cb 0.00 -1.77 0.23 0.00 -0.22 0.00 0.00 33.01 31.25 1ehx s GLN 2 CO 0.00 -2.85 0.53 -0.40 -0.25 0.00 0.00 175.29 172.32 1ehx n ASP 3 N -4.07 -0.48 -4.77 5.90 5.68 -1.26 -5.06 116.55 112.50 1ehx n ASP 3 Ca 0.16 -2.71 -0.39 0.00 -0.50 0.00 0.00 54.79 51.36 1ehx n ASP 3 Cb 0.59 -0.23 -0.06 0.00 -1.14 0.00 0.00 41.12 40.28 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 -0.62 4.31 -0.16 0.11 0.04 -1.26 -4.47 135.00 132.95 1ehx s PRO 4 Ca 0.34 0.78 -0.09 0.00 0.04 0.00 0.00 61.00 62.08 1ehx s PRO 4 Cb 0.14 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 1ehx s PRO 4 CO -0.14 0.44 0.14 -0.08 0.04 0.00 0.00 177.00 177.40 1ehx s THR 5 N -0.47 5.45 0.02 1.26 -1.32 -0.56 -4.91 115.64 115.12 1ehx s THR 5 Ca 0.31 0.21 0.04 0.00 -1.21 0.00 0.00 61.69 61.04 1ehx s THR 5 Cb -0.19 -3.44 -0.02 0.00 -1.51 0.00 0.00 72.50 67.34 1ehx s THR 5 CO 0.19 0.52 -0.12 -0.51 -2.21 0.00 0.00 174.62 172.49 1ehx s ILE 6 N -0.28 0.96 0.00 5.08 1.10 -1.26 0.51 121.20 127.32 1ehx s ILE 6 Ca 0.11 -0.75 0.00 0.00 -0.51 0.00 0.00 60.65 59.50 1ehx s ILE 6 Cb -0.12 -0.85 0.00 0.00 0.15 0.00 0.00 42.46 41.64 1ehx s ILE 6 CO 0.01 0.10 0.00 -0.46 -2.11 0.00 0.00 174.94 172.48 1ehx n ASN 7 N 2.31 0.00 -1.42 4.50 2.04 -1.21 -4.97 115.26 116.50 1ehx n ASN 7 Ca -0.16 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.98 1ehx n ASN 7 Cb 0.55 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.80 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 0.00 1.54 0.00 -0.53 -0.04 -1.26 -5.05 135.00 129.65 1ehx n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 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 -0.72 0.00 -3.62 0.52 -1.04 -1.26 -4.62 114.28 103.53 1ehx n THR 9 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1ehx n THR 9 Cb 0.00 1.49 -0.06 0.00 -1.82 0.00 0.00 70.33 69.93 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 0.00 -0.34 0.27 8.00 1.04 -1.26 0.63 113.70 122.04 1ehx s SER 10 Ca 0.00 0.58 -0.17 0.00 0.48 0.00 0.00 55.95 56.84 1ehx s SER 10 Cb 0.00 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.69 1ehx s SER 10 CO 0.00 -0.17 0.61 0.27 0.98 0.00 0.00 173.24 174.93 1ehx s ILE 11 N -0.21 0.00 -0.02 -1.02 -4.36 0.14 -4.82 121.20 110.92 1ehx s ILE 11 Ca 0.03 -1.19 -0.01 0.00 -0.26 0.00 0.00 60.65 59.22 1ehx s ILE 11 Cb -0.04 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.56 1ehx s ILE 11 CO -0.06 0.00 0.05 -0.44 0.24 0.00 0.00 174.94 174.73 1ehx s SER 12 N -2.97 -0.04 -0.19 4.36 0.01 -1.26 -0.20 113.70 113.40 1ehx s SER 12 Ca 0.16 0.09 -0.30 0.00 1.31 0.00 0.00 55.95 57.22 1ehx s SER 12 Cb -0.04 0.09 0.14 0.00 0.21 0.00 0.00 66.02 66.42 1ehx s SER 12 CO 0.08 -0.02 1.07 0.00 0.41 0.00 0.00 173.24 174.78 1ehx s ALA 13 N 0.09 -1.97 0.56 1.44 0.00 -0.09 -4.90 121.76 116.88 1ehx s ALA 13 Ca -0.01 1.66 -0.19 0.00 0.00 0.00 0.00 51.96 53.42 1ehx s ALA 13 Cb -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 1ehx s ALA 13 CO -0.00 -0.29 1.12 0.21 0.00 0.00 0.00 175.76 176.80 1ehx s LYS 14 N -1.00 3.31 -0.40 0.00 2.36 -1.26 -1.23 119.74 121.52 1ehx s LYS 14 Ca 0.00 1.55 -0.27 0.00 -2.55 0.00 0.00 55.97 54.70 1ehx s LYS 14 Cb -0.01 -2.00 -0.05 0.00 -1.05 0.00 0.00 37.83 34.72 1ehx s LYS 14 CO -0.01 -0.87 2.19 0.00 1.55 0.00 0.00 175.35 178.21 1ehx s ALA 15 N -1.89 2.20 0.00 3.13 0.00 -1.04 -0.58 121.76 123.58 1ehx s ALA 15 Ca 0.71 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1ehx s ALA 15 Cb -0.23 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1ehx s ALA 15 CO 0.29 -3.64 0.00 0.41 0.00 0.00 0.00 175.76 172.82 1ehx n GLY 16 N 5.81 4.05 0.02 0.00 0.00 -1.26 -4.78 105.19 109.03 1ehx n GLY 16 Ca 0.30 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.02 -4.23 1.61 3.41 0.25 -4.18 113.62 110.51 1ehx n SER 17 Ca 0.00 -1.00 -0.44 0.00 -0.26 0.00 0.00 58.87 57.17 1ehx n SER 17 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.46 4.21 -1.58 7.33 3.72 -1.25 -4.84 117.46 124.59 1ehx n PHE 18 Ca 0.00 -3.37 -0.33 0.00 -0.05 0.00 0.00 57.45 53.70 1ehx n PHE 18 Cb 0.01 -1.67 0.07 0.00 -0.94 0.00 0.00 39.48 36.94 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 -1.17 2.35 -0.35 4.37 0.00 -1.26 -3.32 121.76 122.38 1ehx s ALA 19 Ca 0.33 0.53 -0.31 0.00 0.00 0.00 0.00 51.96 52.52 1ehx s ALA 19 Cb -0.03 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 1ehx s ALA 19 CO -0.01 -1.50 1.46 -3.47 0.00 0.00 0.00 175.76 172.24 1ehx n ASP 20 N -2.74 0.57 -4.17 0.00 -0.08 -1.26 -4.56 116.55 104.31 1ehx n ASP 20 Ca 0.11 0.53 -0.35 0.00 -1.51 0.00 0.00 54.79 53.56 1ehx n ASP 20 Cb 0.52 -0.63 -0.14 0.00 2.34 0.00 0.00 41.12 43.21 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 3.95 2.97 -0.07 5.18 2.01 -0.46 -4.96 115.64 124.26 1ehx s THR 21 Ca 0.83 -1.35 -0.12 0.00 0.31 0.00 0.00 61.69 61.37 1ehx s THR 21 Cb -1.06 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1ehx s THR 21 CO 0.48 -0.07 0.29 -0.75 -0.69 0.00 0.00 174.62 173.87 1ehx s LYS 22 N 1.26 3.77 0.22 4.92 2.20 -1.26 0.72 119.74 131.57 1ehx s LYS 22 Ca -0.05 0.16 0.11 0.00 -0.36 0.00 0.00 55.97 55.83 1ehx s LYS 22 Cb -0.19 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 1ehx s LYS 22 CO -0.01 0.67 -0.16 0.42 -0.36 0.00 0.00 175.35 175.91 1ehx s ILE 23 N -0.87 2.76 -0.23 5.43 1.01 0.38 -4.91 121.20 124.78 1ehx s ILE 23 Ca 0.19 -2.02 0.02 0.00 0.00 0.00 0.00 60.65 58.85 1ehx s ILE 23 Cb -0.14 -2.40 0.05 0.00 0.01 0.00 0.00 42.46 39.98 1ehx s ILE 23 CO 0.08 -0.23 -0.14 -0.89 0.00 0.00 0.00 174.94 173.76 1ehx s THR 24 N -2.00 2.13 -0.49 2.92 2.01 -1.26 -0.98 115.64 117.97 1ehx s THR 24 Ca 0.26 -1.38 -0.07 0.00 0.31 0.00 0.00 61.69 60.81 1ehx s THR 24 Cb -0.07 -2.12 0.13 0.00 0.01 0.00 0.00 72.50 70.44 1ehx s THR 24 CO 0.14 0.18 0.34 -0.76 -0.69 0.00 0.00 174.62 173.83 1ehx s LEU 25 N 1.17 5.59 -0.28 4.42 1.43 0.75 -3.35 118.68 128.41 1ehx s LEU 25 Ca -0.04 -2.08 -0.29 0.00 -1.03 0.00 0.00 54.13 50.69 1ehx s LEU 25 Cb -0.17 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1ehx s LEU 25 CO -0.08 -0.62 1.67 -0.89 0.23 0.00 0.00 176.35 176.66 1ehx s THR 26 N 1.10 3.62 -1.27 5.49 2.01 0.18 -4.29 115.64 122.48 1ehx s THR 26 Ca 0.08 0.67 0.16 0.00 0.31 0.00 0.00 61.69 62.91 1ehx s THR 26 Cb -0.24 -3.73 0.63 0.00 0.01 0.00 0.00 72.50 69.17 1ehx s THR 26 CO -0.02 -0.39 1.51 -0.81 -0.69 0.00 0.00 174.62 174.22 1ehx n PRO 27 N 8.02 3.31 0.15 4.92 -0.04 -1.26 -1.49 135.00 148.61 1ehx n PRO 27 Ca 0.20 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 1ehx n PRO 27 Cb 0.46 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 1.00 0.00 -0.22 3.54 2.85 -1.26 0.24 115.26 121.41 1ehx n ASN 28 Ca 0.22 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.92 1ehx n ASN 28 Cb 0.77 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.79 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 -1.12 0.94 3.22 8.20 0.00 -1.26 -5.07 105.19 110.10 1ehx n GLY 29 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.35 0.19 1.61 0.01 0.14 -4.33 114.94 112.91 1ehx s ASN 30 Ca 0.00 -1.43 0.08 0.00 -0.71 0.00 0.00 52.86 50.80 1ehx s ASN 30 Cb 0.00 0.41 -0.05 0.00 0.41 0.00 0.00 41.25 42.03 1ehx s ASN 30 CO 0.00 -0.88 -0.15 0.28 -1.51 0.00 0.00 177.10 174.84 1ehx s THR 31 N -4.05 1.75 -0.10 1.60 -1.32 -1.26 -4.41 115.64 107.85 1ehx s THR 31 Ca 0.39 -2.13 0.03 0.00 -1.21 0.00 0.00 61.69 58.76 1ehx s THR 31 Cb 0.06 -1.98 -0.01 0.00 -1.51 0.00 0.00 72.50 69.06 1ehx s THR 31 CO 0.14 -0.53 -0.18 0.12 -2.21 0.00 0.00 174.62 171.97 1ehx s PHE 32 N -2.73 2.67 -0.24 9.09 5.36 -1.26 -4.09 117.98 126.78 1ehx s PHE 32 Ca 0.20 -0.67 -0.01 0.00 -0.96 0.00 0.00 56.93 55.50 1ehx s PHE 32 Cb -0.02 -1.73 -0.14 0.00 -0.34 0.00 0.00 43.02 40.78 1ehx s PHE 32 CO 0.07 -0.19 -0.23 0.09 -1.46 0.00 0.00 175.22 173.49 1ehx n ASN 33 N 3.21 2.09 0.00 6.13 5.03 0.19 -4.99 115.26 126.92 1ehx n ASN 33 Ca -0.18 -0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.23 1ehx n ASN 33 Cb 0.53 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1ehx n ASN 33 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ehx n GLY 34 N 2.18 3.51 3.28 7.41 0.00 -1.25 -4.95 105.19 115.36 1ehx n GLY 34 Ca -0.43 -1.49 -0.44 0.00 0.00 0.00 0.00 46.02 43.66 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 5.00 0.34 -0.61 1.01 -1.26 -1.32 121.20 122.36 1ehx s ILE 35 Ca 0.00 -2.06 0.27 0.00 0.00 0.00 0.00 60.65 58.86 1ehx s ILE 35 Cb 0.00 -4.18 0.28 0.00 0.01 0.00 0.00 42.46 38.57 1ehx s ILE 35 CO 0.00 -0.91 2.01 -1.28 0.00 0.00 0.00 174.94 174.76 1ehx h SER 36 N 8.21 0.00 -1.00 3.58 0.87 -1.95 -0.57 113.55 122.69 1ehx h SER 36 Ca -0.11 0.00 0.29 0.00 -1.23 0.00 0.00 61.79 60.74 1ehx h SER 36 Cb 1.06 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 1ehx h SER 36 CO 0.87 0.15 0.74 -0.08 -0.53 0.00 0.00 176.83 177.97 1ehx h GLU 37 N 0.00 0.00 -1.81 2.24 4.81 -1.82 -3.29 114.58 114.72 1ehx h GLU 37 Ca -0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1ehx h GLU 37 Cb 0.44 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 29.53 1ehx h GLU 37 CO 0.02 0.00 -0.54 -0.48 -0.73 0.00 0.00 179.01 177.28 1ehx s LEU 38 N -8.34 -0.67 -0.50 1.64 0.05 -0.23 -4.86 118.68 105.77 1ehx s LEU 38 Ca -0.05 -0.31 -0.04 0.00 0.05 0.00 0.00 54.13 53.78 1ehx s LEU 38 Cb 0.22 1.02 -0.17 0.00 -2.05 0.00 0.00 46.19 45.21 1ehx s LEU 38 CO 0.77 -0.35 1.13 1.67 -0.55 0.00 0.00 176.35 179.02 1ehx n GLN 39 N 5.35 0.00 0.00 1.48 7.27 -1.20 -4.49 117.38 125.79 1ehx n GLN 39 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1ehx n GLN 39 Cb 0.49 -0.56 0.00 0.00 2.41 0.00 0.00 30.24 32.58 1ehx n GLN 39 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1ehx n SER 40 N 3.02 0.00 0.30 1.69 3.41 -1.16 0.57 113.62 121.44 1ehx n SER 40 Ca 0.34 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 59.08 1ehx n SER 40 Cb 0.10 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.70 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 0.27 4.04 0.87 -1.92 0.60 113.55 117.40 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 -0.29 0.06 -0.53 0.00 0.00 176.83 176.07 1ehx h GLN 42 N 0.00 0.03 0.00 2.24 -0.00 -0.12 -3.45 115.11 113.81 1ehx h GLN 42 Ca 0.03 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.62 1ehx h GLN 42 Cb 1.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.49 1ehx h GLN 42 CO -0.00 0.32 -0.03 2.48 -0.00 0.00 0.00 178.83 181.60 1ehx n TYR 43 N -4.19 -1.03 -3.66 0.06 0.18 0.21 -3.11 117.16 105.62 1ehx n TYR 43 Ca -0.02 -0.20 -0.29 0.00 1.88 0.00 0.00 57.90 59.26 1ehx n TYR 43 Cb 0.34 -0.04 -0.13 0.00 -0.38 0.00 0.00 39.34 39.13 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 -0.47 0.97 0.90 -3.48 2.01 0.36 -4.90 115.64 111.04 1ehx s THR 44 Ca 0.02 -2.04 -0.11 0.00 0.31 0.00 0.00 61.69 59.87 1ehx s THR 44 Cb -0.00 -1.70 0.13 0.00 0.01 0.00 0.00 72.50 70.94 1ehx s THR 44 CO 0.01 -0.85 1.09 -0.75 -0.69 0.00 0.00 174.62 173.43 1ehx s LYS 45 N 0.87 1.23 -0.43 4.92 2.20 -1.26 -1.46 119.74 125.81 1ehx s LYS 45 Ca 0.15 0.87 0.08 0.00 -0.36 0.00 0.00 55.97 56.71 1ehx s LYS 45 Cb -0.22 -1.80 0.28 0.00 -1.51 0.00 0.00 37.83 34.58 1ehx s LYS 45 CO -0.07 -2.27 0.82 0.41 -0.36 0.00 0.00 175.35 173.88 1ehx n GLY 46 N -1.02 1.58 2.79 5.54 0.00 0.80 -4.87 105.19 110.01 1ehx n GLY 46 Ca 0.07 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 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 1.03 0.00 0.00 2.61 5.66 -1.26 -1.53 114.28 120.79 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 0.63 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1ehx n THR 47 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1ehx n ASN 48 N -0.89 0.00 -4.57 1.09 6.94 -1.26 -4.90 115.26 111.67 1ehx n ASN 48 Ca 0.05 0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.36 1ehx n ASN 48 Cb 0.24 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.58 1ehx n ASN 48 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1ehx s GLU 49 N 0.00 2.04 -0.10 -3.83 2.02 -0.58 0.27 118.70 118.51 1ehx s GLU 49 Ca 0.00 -1.46 -0.04 0.00 0.02 0.00 0.00 54.97 53.49 1ehx s GLU 49 Cb 0.00 -2.05 0.05 0.00 0.10 0.00 0.00 34.13 32.23 1ehx s GLU 49 CO 0.00 0.38 0.22 0.54 0.02 0.00 0.00 175.26 176.42 1ehx s VAL 50 N -2.13 -0.24 -0.14 2.63 0.11 -0.15 0.28 120.40 120.76 1ehx s VAL 50 Ca 0.28 0.25 0.01 0.00 -2.93 0.00 0.00 61.98 59.60 1ehx s VAL 50 Cb -0.07 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 1ehx s VAL 50 CO 0.17 0.10 -0.18 0.28 -3.33 0.00 0.00 175.10 172.14 1ehx s THR 51 N 1.93 2.42 0.07 5.04 -1.32 -0.53 0.14 115.64 123.39 1ehx s THR 51 Ca -0.02 -0.86 -0.26 0.00 -1.21 0.00 0.00 61.69 59.33 1ehx s THR 51 Cb -0.12 -1.99 -0.06 0.00 -1.51 0.00 0.00 72.50 68.82 1ehx s THR 51 CO -0.08 0.53 0.82 -0.76 -2.21 0.00 0.00 174.62 172.93 1ehx s LEU 52 N 0.71 4.48 -0.40 9.08 1.43 0.22 0.14 118.68 134.34 1ehx s LEU 52 Ca -0.08 1.56 -0.20 0.00 -1.03 0.00 0.00 54.13 54.38 1ehx s LEU 52 Cb -0.16 -3.34 0.01 0.00 0.03 0.00 0.00 46.19 42.74 1ehx s LEU 52 CO 0.01 0.01 0.61 -0.76 0.23 0.00 0.00 176.35 176.45 1ehx s LEU 53 N -0.14 4.41 0.47 1.79 1.43 -1.18 -1.36 118.68 124.10 1ehx s LEU 53 Ca 0.41 -0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.45 1ehx s LEU 53 Cb -0.22 -2.71 0.29 0.00 0.03 0.00 0.00 46.19 43.58 1ehx s LEU 53 CO 0.25 -0.66 0.83 0.00 0.23 0.00 0.00 176.35 177.00 1ehx n ALA 54 N 6.08 0.32 -0.04 4.21 0.00 -1.21 0.45 120.51 130.32 1ehx n ALA 54 Ca -0.02 0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 1ehx n ALA 54 Cb 0.48 -0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.66 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 0.29 0.23 0.00 0.02 -1.91 -1.22 113.55 110.96 1ehx h SER 55 Ca 0.16 -0.54 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1ehx h SER 55 Cb 1.78 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.24 1ehx h SER 55 CO -0.00 0.77 -0.11 0.22 -1.14 0.00 0.00 176.83 176.57 1ehx h TYR 56 N -0.18 -0.28 -0.99 3.45 5.03 -0.29 -2.84 116.97 120.86 1ehx h TYR 56 Ca 0.01 -0.01 0.19 0.00 2.58 0.00 0.00 58.73 61.50 1ehx h TYR 56 Cb 0.71 0.09 -0.10 0.00 1.55 0.00 0.00 36.73 38.99 1ehx h TYR 56 CO 0.10 0.04 0.61 1.25 -1.32 0.00 0.00 178.16 178.84 1ehx h LEU 57 N -0.98 0.73 -1.83 2.82 5.85 -1.66 1.12 115.31 121.36 1ehx h LEU 57 Ca -0.03 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1ehx h LEU 57 Cb 0.44 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1ehx h LEU 57 CO 0.05 0.27 -0.12 -1.13 -0.34 0.00 0.00 178.44 177.17 1ehx h ASN 58 N 0.72 0.00 1.05 1.25 -1.24 -1.26 -2.24 115.58 113.86 1ehx h ASN 58 Ca 0.56 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.41 1ehx h ASN 58 Cb 0.93 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.96 1ehx h ASN 58 CO -0.34 0.12 -1.01 0.74 -1.29 0.00 0.00 177.43 175.66 1ehx h THR 59 N 0.00 0.87 -1.56 -3.57 2.02 0.15 -3.37 112.91 107.44 1ehx h THR 59 Ca -0.00 -2.38 -0.46 0.00 0.77 0.00 0.00 66.41 64.34 1ehx h THR 59 Cb 0.39 2.35 0.15 0.00 -1.74 0.00 0.00 68.15 69.30 1ehx h THR 59 CO 0.02 0.50 -0.97 0.18 0.37 0.00 0.00 175.52 175.62 1ehx n LEU 60 N -3.11 -3.08 -4.19 2.58 7.99 -0.11 -4.90 117.00 112.18 1ehx n LEU 60 Ca -0.04 0.47 -0.27 0.00 -0.01 0.00 0.00 56.01 56.16 1ehx n LEU 60 Cb 0.83 -0.66 0.26 0.00 -0.11 0.00 0.00 43.42 43.75 1ehx n LEU 60 CO 0.43 -3.86 0.29 -2.65 -1.51 0.00 0.00 177.39 170.09 1ehx n PRO 61 N 1.27 -4.12 0.00 3.23 -0.02 -1.26 -4.87 135.00 129.23 1ehx n PRO 61 Ca 0.05 -1.22 0.00 0.00 -2.02 0.00 0.00 63.50 60.31 1ehx n PRO 61 Cb 0.38 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1ehx n PRO 61 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1ehx n GLU 62 N -4.83 1.04 -0.92 -0.52 0.00 -1.26 -4.15 120.64 110.00 1ehx n GLU 62 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.27 1ehx n GLU 62 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.98 1ehx n GLU 62 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1ehx n ASN 63 N -0.67 -1.20 -4.87 4.31 4.13 -1.20 -4.57 115.26 111.19 1ehx n ASN 63 Ca 0.00 -0.71 -0.21 0.00 1.68 0.00 0.00 54.58 55.34 1ehx n ASN 63 Cb 0.00 -0.17 -0.03 0.00 -1.54 0.00 0.00 39.78 38.04 1ehx n ASN 63 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1ehx s THR 64 N 1.92 2.59 -0.62 3.41 -4.23 0.11 -4.91 115.64 113.91 1ehx s THR 64 Ca 0.00 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.21 1ehx s THR 64 Cb 0.00 -2.95 0.24 0.00 1.34 0.00 0.00 72.50 71.13 1ehx s THR 64 CO 0.00 0.00 0.70 0.41 -0.54 0.00 0.00 174.62 175.19 1ehx n THR 65 N -1.55 2.02 -1.56 3.99 -1.04 -1.26 0.18 114.28 115.07 1ehx n THR 65 Ca 0.03 -5.08 -0.50 0.00 -2.04 0.00 0.00 64.05 56.46 1ehx n THR 65 Cb 0.62 -2.09 -0.06 0.00 -1.82 0.00 0.00 70.33 66.98 1ehx n THR 65 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1ehx n LYS 66 N 1.02 1.45 -4.75 -2.82 4.76 0.44 -4.41 118.16 113.84 1ehx n LYS 66 Ca 0.28 0.46 -0.33 0.00 -2.87 0.00 0.00 58.31 55.85 1ehx n LYS 66 Cb 0.41 -2.54 -0.14 0.00 -1.84 0.00 0.00 35.03 30.92 1ehx n LYS 66 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1ehx s THR 67 N 6.12 3.07 -1.18 -0.18 2.01 -1.26 0.42 115.64 124.64 1ehx s THR 67 Ca 1.03 -0.65 -0.13 0.00 0.31 0.00 0.00 61.69 62.25 1ehx s THR 67 Cb -0.79 -2.29 0.19 0.00 0.01 0.00 0.00 72.50 69.61 1ehx s THR 67 CO 0.51 0.52 1.38 -0.76 -0.69 0.00 0.00 174.62 175.57 1ehx s LEU 68 N 0.38 5.24 -1.09 4.42 1.43 0.41 -4.53 118.68 124.94 1ehx s LEU 68 Ca -0.10 -3.05 -0.18 0.00 -1.03 0.00 0.00 54.13 49.76 1ehx s LEU 68 Cb -0.16 -2.37 0.12 0.00 0.03 0.00 0.00 46.19 43.80 1ehx s LEU 68 CO 0.05 -0.69 1.39 -0.89 0.23 0.00 0.00 176.35 176.44 1ehx s THR 69 N 1.20 4.55 -0.36 5.49 2.01 -1.26 -1.36 115.64 125.90 1ehx s THR 69 Ca 0.41 -1.78 -0.28 0.00 0.31 0.00 0.00 61.69 60.35 1ehx s THR 69 Cb -0.04 -4.95 -0.01 0.00 0.01 0.00 0.00 72.50 67.51 1ehx s THR 69 CO -0.01 -1.72 1.72 -0.36 -0.69 0.00 0.00 174.62 173.56 1ehx s PHE 70 N 3.10 1.92 -0.61 4.92 0.08 -1.16 -4.20 117.98 122.02 1ehx s PHE 70 Ca 0.42 0.64 -0.26 0.00 0.12 0.00 0.00 56.93 57.85 1ehx s PHE 70 Cb -0.02 -4.16 -0.02 0.00 -0.57 0.00 0.00 43.02 38.24 1ehx s PHE 70 CO -0.04 -2.72 1.89 0.34 -0.10 0.00 0.00 175.22 174.59 1ehx s ASP 71 N 5.78 5.23 -0.33 1.36 2.15 -0.44 -4.30 116.67 126.12 1ehx s ASP 71 Ca 0.75 0.35 0.08 0.00 0.43 0.00 0.00 52.55 54.15 1ehx s ASP 71 Cb -0.20 -2.53 0.68 0.00 -0.30 0.00 0.00 42.92 40.57 1ehx s ASP 71 CO 0.33 -2.41 1.76 0.49 -0.17 0.00 0.00 175.17 175.16 1ehx n PHE 72 N 12.94 2.44 -1.01 -5.34 3.01 -1.26 0.54 117.46 128.78 1ehx n PHE 72 Ca 0.22 -1.28 -0.05 0.00 1.01 0.00 0.00 57.45 57.35 1ehx n PHE 72 Cb 0.52 -0.72 -0.02 0.00 -0.01 0.00 0.00 39.48 39.26 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 -0.33 0.44 0.05 1.37 0.00 -1.26 -4.41 105.19 101.05 1ehx n GLY 73 Ca 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.80 0.57 0.00 1.61 0.24 -1.26 -5.01 118.33 112.68 1ehx n VAL 74 Ca -0.05 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1ehx n VAL 74 Cb 0.46 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 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 2.76 0.79 0.34 7.63 0.00 -1.26 -4.28 105.19 111.17 1ehx n GLY 75 Ca -0.16 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.28 2.61 2.02 -2.00 0.28 112.91 115.54 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 2.29 0.37 0.00 0.00 175.52 178.18 1ehx n LYS 77 N -4.69 1.78 -1.64 6.66 0.00 -1.26 -4.90 118.16 114.11 1ehx n LYS 77 Ca -0.03 -1.07 -0.43 0.00 -0.00 0.00 0.00 58.31 56.79 1ehx n LYS 77 Cb 0.26 -1.30 -0.03 0.00 -0.00 0.00 0.00 35.03 33.96 1ehx n LYS 77 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1ehx s ASN 78 N -0.91 5.88 -0.66 -5.58 3.84 0.08 -4.87 114.94 112.73 1ehx s ASN 78 Ca 0.20 2.22 -0.26 0.00 0.21 0.00 0.00 52.86 55.22 1ehx s ASN 78 Cb 0.11 -2.52 -0.05 0.00 -0.55 0.00 0.00 41.25 38.24 1ehx s ASN 78 CO 0.12 -1.57 2.09 -2.16 -2.79 0.00 0.00 177.10 172.79 1ehx s PRO 79 N 5.54 2.34 -0.46 0.43 0.04 -1.26 -4.89 135.00 136.74 1ehx s PRO 79 Ca 0.95 0.64 -0.16 0.00 0.04 0.00 0.00 61.00 62.47 1ehx s PRO 79 Cb -0.37 -4.62 0.06 0.00 0.04 0.00 0.00 34.50 29.61 1ehx s PRO 79 CO 0.38 -3.22 0.39 0.15 0.04 0.00 0.00 177.00 174.74 1ehx s LYS 80 N 7.59 2.99 0.34 4.56 3.01 -1.26 -2.99 119.74 133.99 1ehx s LYS 80 Ca 0.79 -1.21 -0.08 0.00 -1.01 0.00 0.00 55.97 54.45 1ehx s LYS 80 Cb -0.13 -4.09 -0.06 0.00 -1.01 0.00 0.00 37.83 32.54 1ehx s LYS 80 CO 0.16 -0.97 0.66 -1.17 0.51 0.00 0.00 175.35 174.55 1ehx s LEU 81 N 1.75 3.97 0.05 3.17 1.98 -0.47 -4.75 118.68 124.38 1ehx s LEU 81 Ca 0.05 0.95 0.07 0.00 -2.89 0.00 0.00 54.13 52.32 1ehx s LEU 81 Cb -0.22 -3.79 -0.03 0.00 0.66 0.00 0.00 46.19 42.80 1ehx s LEU 81 CO 0.08 -0.28 -0.17 -0.89 -1.89 0.00 0.00 176.35 173.20 1ehx s THR 82 N -2.18 2.87 -0.32 3.68 2.01 0.20 0.16 115.64 122.06 1ehx s THR 82 Ca 0.48 -1.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 1ehx s THR 82 Cb -0.11 -2.23 0.12 0.00 0.01 0.00 0.00 72.50 70.30 1ehx s THR 82 CO 0.29 0.31 0.17 -0.63 -0.69 0.00 0.00 174.62 174.08 1ehx s ILE 83 N -0.96 0.00 -0.74 1.82 -1.09 1.41 0.26 121.20 121.91 1ehx s ILE 83 Ca 0.15 -1.17 -0.26 0.00 -2.23 0.00 0.00 60.65 57.15 1ehx s ILE 83 Cb -0.11 -1.03 -0.03 0.00 -1.58 0.00 0.00 42.46 39.72 1ehx s ILE 83 CO 0.06 -0.84 1.86 -0.89 -1.23 0.00 0.00 174.94 173.90 1ehx s THR 84 N 1.65 3.42 -0.28 2.92 2.01 0.72 0.17 115.64 126.24 1ehx s THR 84 Ca 0.13 -0.03 -0.27 0.00 0.31 0.00 0.00 61.69 61.83 1ehx s THR 84 Cb -0.19 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.29 1ehx s THR 84 CO -0.20 -0.99 0.96 -0.69 -0.69 0.00 0.00 174.62 173.01 1ehx s VAL 85 N 9.20 4.68 -0.72 3.82 1.01 0.48 -0.92 120.40 137.96 1ehx s VAL 85 Ca 0.66 1.67 0.04 0.00 0.00 0.00 0.00 61.98 64.36 1ehx s VAL 85 Cb -0.10 -4.28 0.22 0.00 0.00 0.00 0.00 36.38 32.22 1ehx s VAL 85 CO 0.12 -0.27 0.68 0.18 0.00 0.00 0.00 175.10 175.81 1ehx n LEU 86 N 6.42 3.65 0.00 3.92 4.77 -0.36 0.07 117.00 135.46 1ehx n LEU 86 Ca 0.09 -5.31 0.00 0.00 -0.03 0.00 0.00 56.01 50.76 1ehx n LEU 86 Cb 0.47 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1ehx n LEU 86 CO 0.53 1.86 0.00 -2.65 -1.33 0.00 0.00 177.39 175.81 1ehx n PRO 87 N 1.48 2.40 -2.00 3.23 -0.02 -1.26 -2.50 135.00 136.33 1ehx n PRO 87 Ca 0.25 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 1ehx n PRO 87 Cb 0.38 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.83 1ehx n PRO 87 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ehx s LYS 88 N 0.00 4.25 -0.39 -0.52 1.02 -1.26 -4.65 119.74 118.20 1ehx s LYS 88 Ca 0.00 2.29 0.06 0.00 0.02 0.00 0.00 55.97 58.34 1ehx s LYS 88 Cb 0.00 -3.15 0.58 0.00 -0.52 0.00 0.00 37.83 34.74 1ehx s LYS 88 CO 0.00 -0.50 1.71 -0.25 -0.92 0.00 0.00 175.35 175.39 1ehx n ASP 89 N 3.22 3.42 -3.99 2.83 8.00 -1.26 -4.86 116.55 123.91 1ehx n ASP 89 Ca 0.10 -3.71 -0.23 0.00 0.71 0.00 0.00 54.79 51.66 1ehx n ASP 89 Cb 0.40 -0.75 -0.16 0.00 -0.02 0.00 0.00 41.12 40.59 1ehx n ASP 89 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1ehx s ILE 90 N -3.40 0.94 -0.24 0.53 -1.16 -1.26 -5.11 121.20 111.50 1ehx s ILE 90 Ca 0.52 -0.38 -0.29 0.00 -0.51 0.00 0.00 60.65 59.99 1ehx s ILE 90 Cb 0.45 -0.88 -0.02 0.00 0.61 0.00 0.00 42.46 42.62 1ehx s ILE 90 CO 0.05 0.31 1.59 -2.16 -2.81 0.00 0.00 174.94 171.92 1ehx s PRO 91 N 0.65 3.78 -0.00 3.50 0.04 -1.26 -4.82 135.00 136.89 1ehx s PRO 91 Ca -0.12 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1ehx s PRO 91 Cb -0.15 -4.03 -0.00 0.00 0.04 0.00 0.00 34.50 30.37 1ehx s PRO 91 CO 0.02 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.17 1ehx n GLY 92 N 4.66 -0.01 3.04 0.56 0.00 -1.26 -5.07 105.19 107.12 1ehx n GLY 92 Ca 0.18 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.08 -5.70 0.00 0.99 0.00 -1.26 -5.33 117.00 103.62 1ehx n LEU 93 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 56.01 55.56 1ehx n LEU 93 Cb 0.50 -3.03 0.00 0.00 0.00 0.00 0.00 43.42 40.90 1ehx n LEU 93 CO 0.00 -0.29 0.00 1.21 0.00 0.00 0.00 177.39 178.31