#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 2.86 -0.51 0.03 -0.21 -1.26 -5.07 119.66 115.50 1ehx s GLN 2 Ca 0.00 -1.21 0.08 0.00 0.02 0.00 0.00 55.36 54.24 1ehx s GLN 2 Cb 0.00 -2.62 0.33 0.00 1.00 0.00 0.00 33.01 31.72 1ehx s GLN 2 CO 0.00 0.01 0.83 -0.25 -2.12 0.00 0.00 175.29 173.76 1ehx n ASP 3 N -1.54 2.96 -4.87 5.90 8.00 -1.26 -5.07 116.55 120.67 1ehx n ASP 3 Ca 0.00 -3.38 -0.31 0.00 0.71 0.00 0.00 54.79 51.82 1ehx n ASP 3 Cb 0.59 -0.60 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1ehx n ASP 3 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ehx s PRO 4 N -2.89 3.83 0.15 -0.24 0.04 -1.26 -4.61 135.00 130.02 1ehx s PRO 4 Ca 0.44 0.53 0.01 0.00 0.04 0.00 0.00 61.00 62.02 1ehx s PRO 4 Cb 0.28 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1ehx s PRO 4 CO -0.11 -0.01 0.01 0.99 0.04 0.00 0.00 177.00 177.93 1ehx s THR 5 N -2.31 0.48 0.15 1.26 2.01 -0.63 -4.96 115.64 111.65 1ehx s THR 5 Ca 0.52 -1.95 -0.17 0.00 0.31 0.00 0.00 61.69 60.41 1ehx s THR 5 Cb -0.10 -2.05 0.03 0.00 0.01 0.00 0.00 72.50 70.39 1ehx s THR 5 CO 0.29 -0.51 0.44 -0.51 -0.69 0.00 0.00 174.62 173.63 1ehx s ILE 6 N -3.79 0.05 0.00 1.82 2.07 -1.26 0.12 121.20 120.21 1ehx s ILE 6 Ca 0.23 -0.63 0.00 0.00 -1.41 0.00 0.00 60.65 58.84 1ehx s ILE 6 Cb 0.07 -1.30 0.00 0.00 0.13 0.00 0.00 42.46 41.36 1ehx s ILE 6 CO 0.02 -0.24 0.00 -0.46 -1.91 0.00 0.00 174.94 172.35 1ehx n ASN 7 N -0.27 0.00 -1.83 4.50 2.04 -1.21 -4.98 115.26 113.52 1ehx n ASN 7 Ca -0.14 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.00 1ehx n ASN 7 Cb 0.63 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.88 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 1.34 0.00 -0.53 -0.04 -1.26 -5.05 135.00 129.46 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 -0.76 0.00 -3.72 0.52 -1.04 -1.26 -4.63 114.28 103.39 1ehx n THR 9 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1ehx n THR 9 Cb 0.00 0.67 -0.11 0.00 -1.82 0.00 0.00 70.33 69.07 1ehx n THR 9 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ehx s SER 10 N 0.00 -0.44 0.08 8.00 0.15 -1.26 -1.48 113.70 118.75 1ehx s SER 10 Ca 0.00 0.79 -0.26 0.00 0.70 0.00 0.00 55.95 57.18 1ehx s SER 10 Cb 0.00 0.71 0.08 0.00 -1.71 0.00 0.00 66.02 65.10 1ehx s SER 10 CO 0.00 -0.17 0.70 -0.51 1.20 0.00 0.00 173.24 174.46 1ehx s ILE 11 N 1.03 0.00 -0.18 6.45 2.07 -0.11 -4.95 121.20 125.51 1ehx s ILE 11 Ca -0.07 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.04 1ehx s ILE 11 Cb -0.07 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.57 1ehx s ILE 11 CO -0.08 0.00 0.45 -0.94 -1.91 0.00 0.00 174.94 172.46 1ehx s SER 12 N -2.47 -0.52 0.05 4.50 1.04 -1.26 -0.07 113.70 114.97 1ehx s SER 12 Ca 0.01 0.94 -0.28 0.00 0.48 0.00 0.00 55.95 57.09 1ehx s SER 12 Cb -0.01 0.89 0.10 0.00 0.10 0.00 0.00 66.02 67.10 1ehx s SER 12 CO -0.09 -0.18 1.11 0.00 0.98 0.00 0.00 173.24 175.07 1ehx s ALA 13 N 0.77 -1.94 0.24 5.32 0.00 -0.02 -4.89 121.76 121.24 1ehx s ALA 13 Ca -0.04 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 1ehx s ALA 13 Cb -0.05 0.46 -0.09 0.00 0.00 0.00 0.00 23.12 23.44 1ehx s ALA 13 CO -0.06 -1.00 1.26 0.21 0.00 0.00 0.00 175.76 176.18 1ehx s LYS 14 N -2.85 4.43 -0.52 0.00 2.47 -1.26 -1.52 119.74 120.50 1ehx s LYS 14 Ca 0.12 2.03 -0.28 0.00 -1.56 0.00 0.00 55.97 56.29 1ehx s LYS 14 Cb 0.01 -3.17 -0.09 0.00 -1.46 0.00 0.00 37.83 33.12 1ehx s LYS 14 CO -0.02 -0.15 2.41 0.00 0.16 0.00 0.00 175.35 177.76 1ehx n ALA 15 N 2.00 0.88 0.00 3.13 0.00 0.15 0.27 120.51 126.93 1ehx n ALA 15 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1ehx n ALA 15 Cb 0.43 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.92 1ehx n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ehx n GLY 16 N 6.11 3.06 0.00 0.00 0.00 -1.26 -4.43 105.19 108.67 1ehx n GLY 16 Ca 0.41 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.37 1.61 3.41 0.14 -4.17 113.62 110.25 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 -0.36 -0.16 0.00 0.00 175.04 174.52 1ehx s PHE 18 N -2.00 4.06 0.52 7.33 0.08 -1.26 -4.92 117.98 121.80 1ehx s PHE 18 Ca 0.03 -2.50 -0.21 0.00 0.12 0.00 0.00 56.93 54.37 1ehx s PHE 18 Cb 0.01 -3.94 -0.06 0.00 -0.57 0.00 0.00 43.02 38.46 1ehx s PHE 18 CO 0.02 -1.05 1.18 0.00 -0.10 0.00 0.00 175.22 175.27 1ehx s ALA 19 N -0.52 2.78 -0.34 5.36 0.00 -1.26 -3.25 121.76 124.54 1ehx s ALA 19 Ca 0.32 0.95 -0.33 0.00 0.00 0.00 0.00 51.96 52.90 1ehx s ALA 19 Cb -0.08 -3.41 -0.14 0.00 0.00 0.00 0.00 23.12 19.49 1ehx s ALA 19 CO -0.07 -0.87 1.12 -3.47 0.00 0.00 0.00 175.76 172.48 1ehx n ASP 20 N -1.04 0.82 -3.95 0.00 2.03 -1.26 -4.63 116.55 108.52 1ehx n ASP 20 Ca 0.10 0.85 -0.20 0.00 0.52 0.00 0.00 54.79 56.07 1ehx n ASP 20 Cb 0.49 -0.63 -0.16 0.00 -0.72 0.00 0.00 41.12 40.10 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 2.02 0.65 -0.02 5.18 2.01 -0.28 -4.95 115.64 120.25 1ehx s THR 21 Ca 0.75 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 62.40 1ehx s THR 21 Cb -1.06 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 1ehx s THR 21 CO 0.58 0.22 0.29 -0.75 -0.69 0.00 0.00 174.62 174.27 1ehx s LYS 22 N 0.46 3.66 0.23 4.92 2.36 -1.26 0.73 119.74 130.83 1ehx s LYS 22 Ca -0.07 0.08 0.11 0.00 -2.55 0.00 0.00 55.97 53.54 1ehx s LYS 22 Cb -0.10 -3.14 -0.05 0.00 -1.05 0.00 0.00 37.83 33.49 1ehx s LYS 22 CO 0.00 0.68 -0.17 0.42 1.55 0.00 0.00 175.35 177.84 1ehx s ILE 23 N -1.18 2.71 -0.30 5.43 1.01 0.38 -4.90 121.20 124.35 1ehx s ILE 23 Ca 0.24 -2.05 0.03 0.00 0.00 0.00 0.00 60.65 58.88 1ehx s ILE 23 Cb -0.14 -2.37 0.08 0.00 0.01 0.00 0.00 42.46 40.04 1ehx s ILE 23 CO 0.12 -0.23 -0.03 -0.89 0.00 0.00 0.00 174.94 173.92 1ehx s THR 24 N -2.01 2.17 -0.42 2.92 2.01 -1.26 -0.98 115.64 118.07 1ehx s THR 24 Ca 0.26 -1.96 -0.18 0.00 0.31 0.00 0.00 61.69 60.12 1ehx s THR 24 Cb -0.07 -2.45 0.02 0.00 0.01 0.00 0.00 72.50 70.01 1ehx s THR 24 CO 0.14 -0.32 0.49 -0.76 -0.69 0.00 0.00 174.62 173.48 1ehx s LEU 25 N 1.03 4.74 -0.32 4.42 1.43 0.44 -3.36 118.68 127.05 1ehx s LEU 25 Ca 0.01 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 1ehx s LEU 25 Cb -0.19 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 1ehx s LEU 25 CO -0.07 -0.61 1.70 -0.89 0.23 0.00 0.00 176.35 176.71 1ehx s THR 26 N 2.31 3.58 -2.46 5.49 2.01 0.31 -4.25 115.64 122.63 1ehx s THR 26 Ca 0.15 0.61 0.23 0.00 0.31 0.00 0.00 61.69 62.98 1ehx s THR 26 Cb -0.16 -3.75 0.42 0.00 0.01 0.00 0.00 72.50 69.02 1ehx s THR 26 CO 0.15 -0.45 1.48 -0.81 -0.69 0.00 0.00 174.62 174.30 1ehx n PRO 27 N 8.24 2.07 -0.75 4.92 -0.04 -1.26 -1.60 135.00 146.57 1ehx n PRO 27 Ca 0.21 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1ehx n PRO 27 Cb 0.47 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.84 -0.62 0.00 3.54 5.15 -1.26 0.31 115.26 123.21 1ehx n ASN 28 Ca 0.17 -0.44 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 1ehx n ASN 28 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 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 2.81 2.69 3.99 8.20 0.00 -1.26 -4.63 105.19 116.99 1ehx n GLY 29 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.11 5.72 0.16 1.61 0.01 0.91 -4.91 114.94 117.32 1ehx s ASN 30 Ca 0.00 -0.37 0.06 0.00 -0.71 0.00 0.00 52.86 51.84 1ehx s ASN 30 Cb 0.00 -0.84 -0.04 0.00 0.41 0.00 0.00 41.25 40.78 1ehx s ASN 30 CO 0.00 -0.65 -0.13 0.28 -1.51 0.00 0.00 177.10 175.10 1ehx s THR 31 N -2.30 1.42 -0.07 1.60 -1.32 -1.26 -4.49 115.64 109.22 1ehx s THR 31 Ca 0.51 -2.01 0.04 0.00 -1.21 0.00 0.00 61.69 59.03 1ehx s THR 31 Cb -0.09 -1.82 -0.02 0.00 -1.51 0.00 0.00 72.50 69.06 1ehx s THR 31 CO 0.32 -0.59 -0.20 0.12 -2.21 0.00 0.00 174.62 172.06 1ehx s PHE 32 N -2.83 2.58 -0.21 9.09 5.36 -1.26 -4.16 117.98 126.54 1ehx s PHE 32 Ca 0.16 -0.56 0.03 0.00 -0.96 0.00 0.00 56.93 55.60 1ehx s PHE 32 Cb -0.01 -1.66 -0.15 0.00 -0.34 0.00 0.00 43.02 40.86 1ehx s PHE 32 CO 0.03 -0.11 -0.16 -1.71 -1.46 0.00 0.00 175.22 171.81 1ehx n ASN 33 N 2.90 2.13 0.00 6.13 2.85 0.79 -5.00 115.26 125.07 1ehx n ASN 33 Ca -0.17 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.19 1ehx n ASN 33 Cb 0.52 -0.19 0.00 0.00 1.24 0.00 0.00 39.78 41.35 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 2.40 3.13 3.26 8.20 0.00 -1.25 -4.98 105.19 115.96 1ehx n GLY 34 Ca -0.37 -1.54 -0.44 0.00 0.00 0.00 0.00 46.02 43.67 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 0.38 -0.61 1.01 -1.26 -1.26 121.20 122.44 1ehx s ILE 35 Ca 0.00 -2.30 0.23 0.00 0.00 0.00 0.00 60.65 58.58 1ehx s ILE 35 Cb 0.00 -4.15 0.24 0.00 0.01 0.00 0.00 42.46 38.57 1ehx s ILE 35 CO 0.00 -0.94 2.00 0.77 0.00 0.00 0.00 174.94 176.77 1ehx h SER 36 N 7.92 0.00 -0.62 3.58 4.64 -1.97 -0.36 113.55 126.74 1ehx h SER 36 Ca -0.03 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.47 1ehx h SER 36 Cb 1.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1ehx h SER 36 CO 0.81 0.18 0.56 -0.08 -0.87 0.00 0.00 176.83 177.43 1ehx h GLU 37 N 0.00 0.00 -1.97 4.77 4.81 -1.84 -3.26 114.58 117.09 1ehx h GLU 37 Ca -0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 1ehx h GLU 37 Cb 0.43 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.49 1ehx h GLU 37 CO 0.02 0.00 -0.61 -0.48 -0.73 0.00 0.00 179.01 177.21 1ehx s LEU 38 N -7.79 -0.39 -0.51 1.64 2.34 -0.15 -4.95 118.68 108.87 1ehx s LEU 38 Ca -0.04 -0.80 -0.05 0.00 0.06 0.00 0.00 54.13 53.30 1ehx s LEU 38 Cb 0.18 0.71 -0.17 0.00 -0.56 0.00 0.00 46.19 46.34 1ehx s LEU 38 CO 0.63 -0.35 1.14 0.00 -1.06 0.00 0.00 176.35 176.70 1ehx n GLN 39 N 5.12 0.00 0.00 1.48 10.64 -1.19 -4.49 117.38 128.94 1ehx n GLN 39 Ca 0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1ehx n GLN 39 Cb 0.47 -0.55 0.00 0.00 -0.86 0.00 0.00 30.24 29.30 1ehx n GLN 39 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1ehx n SER 40 N 3.00 0.00 0.13 2.61 3.41 -1.18 0.50 113.62 122.09 1ehx n SER 40 Ca 0.35 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 59.13 1ehx n SER 40 Cb 0.09 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.18 4.04 0.87 -1.92 0.57 113.55 116.93 1ehx h SER 41 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 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 0.12 0.06 -0.53 0.00 0.00 176.83 176.48 1ehx h GLN 42 N 0.00 0.19 0.00 2.24 -0.00 -0.19 -3.44 115.11 113.91 1ehx h GLN 42 Ca 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 1ehx h GLN 42 Cb 1.49 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.93 1ehx h GLN 42 CO -0.00 0.13 0.00 2.48 -0.00 0.00 0.00 178.83 181.43 1ehx n TYR 43 N -4.51 -0.21 -3.84 0.06 0.18 0.20 -3.08 117.16 105.95 1ehx n TYR 43 Ca -0.00 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.48 1ehx n TYR 43 Cb 0.11 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.93 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 -0.72 2.02 0.34 -3.48 2.01 0.33 -4.89 115.64 111.25 1ehx s THR 44 Ca 0.00 -2.91 -0.28 0.00 0.31 0.00 0.00 61.69 58.81 1ehx s THR 44 Cb 0.00 -2.41 -0.10 0.00 0.01 0.00 0.00 72.50 70.00 1ehx s THR 44 CO 0.00 -0.83 1.26 -1.59 -0.69 0.00 0.00 174.62 172.76 1ehx s LYS 45 N 0.08 4.32 -0.45 4.92 -2.85 -1.26 -1.51 119.74 122.99 1ehx s LYS 45 Ca 0.17 2.10 0.05 0.00 -1.00 0.00 0.00 55.97 57.29 1ehx s LYS 45 Cb -0.25 -3.01 0.19 0.00 -2.06 0.00 0.00 37.83 32.70 1ehx s LYS 45 CO -0.01 -0.17 0.51 0.41 0.10 0.00 0.00 175.35 176.19 1ehx n GLY 46 N 0.83 1.21 0.00 0.59 0.00 0.16 -4.94 105.19 103.03 1ehx n GLY 46 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 2.68 0.00 0.00 2.61 -1.04 -1.26 -0.52 114.28 116.75 1ehx n THR 47 Ca 0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1ehx n THR 47 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.63 0.00 -4.00 8.00 3.02 -1.26 -4.99 115.26 116.66 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 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.45 0.99 -0.26 3.52 2.02 0.33 0.17 118.70 125.00 1ehx s GLU 49 Ca 0.00 -1.20 -0.12 0.00 0.02 0.00 0.00 54.97 53.67 1ehx s GLU 49 Cb 0.00 0.32 0.10 0.00 0.10 0.00 0.00 34.13 34.65 1ehx s GLU 49 CO 0.00 -0.32 0.61 0.08 0.02 0.00 0.00 175.26 175.65 1ehx s VAL 50 N -3.96 -0.45 -0.18 2.63 1.01 -0.15 0.38 120.40 119.68 1ehx s VAL 50 Ca 0.15 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1ehx s VAL 50 Cb 0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1ehx s VAL 50 CO -0.03 0.01 -0.10 -0.89 0.00 0.00 0.00 175.10 174.09 1ehx s THR 51 N 2.19 3.04 0.31 3.92 2.01 -0.57 0.14 115.64 126.68 1ehx s THR 51 Ca -0.07 -0.63 -0.23 0.00 0.31 0.00 0.00 61.69 61.07 1ehx s THR 51 Cb -0.09 -2.33 -0.09 0.00 0.01 0.00 0.00 72.50 70.00 1ehx s THR 51 CO -0.18 0.48 0.87 -1.48 -0.69 0.00 0.00 174.62 173.62 1ehx s LEU 52 N 0.99 4.27 -0.28 4.42 -0.00 0.22 0.12 118.68 128.44 1ehx s LEU 52 Ca -0.01 1.66 -0.07 0.00 -0.00 0.00 0.00 54.13 55.71 1ehx s LEU 52 Cb -0.15 -3.96 -0.00 0.00 -0.00 0.00 0.00 46.19 42.08 1ehx s LEU 52 CO -0.01 -0.08 0.07 -0.76 -0.00 0.00 0.00 176.35 175.57 1ehx s LEU 53 N -2.23 3.68 0.12 1.48 1.43 -1.18 -1.13 118.68 120.87 1ehx s LEU 53 Ca 0.50 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1ehx s LEU 53 Cb -0.16 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.28 1ehx s LEU 53 CO 0.21 -0.14 0.75 0.00 0.23 0.00 0.00 176.35 177.41 1ehx n ALA 54 N 4.88 0.24 -0.06 4.21 0.00 -1.20 -0.59 120.51 128.00 1ehx n ALA 54 Ca -0.15 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 1ehx n ALA 54 Cb 0.49 -0.27 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 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 0.44 0.08 0.00 0.02 -1.91 0.18 113.55 112.36 1ehx h SER 55 Ca 0.00 -0.50 -0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1ehx h SER 55 Cb 0.90 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1ehx h SER 55 CO 0.00 0.85 -0.04 0.22 -1.14 0.00 0.00 176.83 176.73 1ehx h TYR 56 N 0.03 -0.10 -0.93 3.45 5.03 -1.10 -3.12 116.97 120.24 1ehx h TYR 56 Ca 0.02 -0.00 0.20 0.00 2.58 0.00 0.00 58.73 61.52 1ehx h TYR 56 Cb 0.75 0.03 -0.11 0.00 1.55 0.00 0.00 36.73 38.95 1ehx h TYR 56 CO 0.09 0.35 0.50 1.25 -1.32 0.00 0.00 178.16 179.02 1ehx h LEU 57 N -0.96 0.56 -1.97 2.82 5.85 -1.65 1.01 115.31 120.97 1ehx h LEU 57 Ca -0.01 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1ehx h LEU 57 Cb 0.49 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1ehx h LEU 57 CO 0.02 0.15 -0.07 -1.13 -0.34 0.00 0.00 178.44 177.06 1ehx h ASN 58 N 0.58 0.00 0.79 1.25 -0.73 -1.04 -2.31 115.58 114.13 1ehx h ASN 58 Ca 0.55 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.58 1ehx h ASN 58 Cb 0.94 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.50 1ehx h ASN 58 CO -0.44 0.07 -1.30 0.74 -0.37 0.00 0.00 177.43 176.14 1ehx h THR 59 N 0.00 0.46 -2.14 -3.57 2.02 1.00 -3.39 112.91 107.28 1ehx h THR 59 Ca -0.00 -1.88 -0.58 0.00 0.77 0.00 0.00 66.41 64.71 1ehx h THR 59 Cb 0.34 1.99 0.20 0.00 -1.74 0.00 0.00 68.15 68.94 1ehx h THR 59 CO 0.01 0.26 -1.27 0.18 0.37 0.00 0.00 175.52 175.07 1ehx n LEU 60 N -2.89 -3.84 0.00 2.58 4.77 0.21 -4.91 117.00 112.92 1ehx n LEU 60 Ca -0.08 0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 56.30 1ehx n LEU 60 Cb 0.80 -0.87 0.11 0.00 -2.33 0.00 0.00 43.42 41.14 1ehx n LEU 60 CO 0.42 -4.96 0.13 -2.65 -1.33 0.00 0.00 177.39 169.00 1ehx n PRO 61 N 1.55 -1.53 0.00 3.23 -0.02 -1.26 -4.97 135.00 131.99 1ehx n PRO 61 Ca 0.05 -0.56 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 1ehx n PRO 61 Cb 0.50 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 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 -1.92 -0.27 -0.95 -0.52 0.28 -1.26 -4.46 120.64 111.54 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 0.23 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.10 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 -1.54 -1.04 -4.67 -1.84 6.94 -1.03 -4.58 115.26 107.50 1ehx n ASN 63 Ca 0.00 -0.55 -0.24 0.00 -0.02 0.00 0.00 54.58 53.76 1ehx n ASN 63 Cb 0.00 -0.05 -0.08 0.00 -2.36 0.00 0.00 39.78 37.29 1ehx n ASN 63 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ehx s THR 64 N 2.57 2.65 -0.88 5.53 -4.23 0.06 -4.92 115.64 116.42 1ehx s THR 64 Ca 0.00 -1.86 -0.14 0.00 -1.18 0.00 0.00 61.69 58.51 1ehx s THR 64 Cb 0.00 -2.88 0.21 0.00 1.34 0.00 0.00 72.50 71.17 1ehx s THR 64 CO 0.00 -0.15 0.86 -0.89 -0.54 0.00 0.00 174.62 173.90 1ehx s THR 65 N -2.52 5.51 -1.14 3.99 2.01 -1.26 0.09 115.64 122.32 1ehx s THR 65 Ca 0.37 -2.43 -0.25 0.00 0.31 0.00 0.00 61.69 59.68 1ehx s THR 65 Cb 0.00 -4.54 -0.16 0.00 0.01 0.00 0.00 72.50 67.82 1ehx s THR 65 CO 0.21 -1.12 2.02 -0.75 -0.69 0.00 0.00 174.62 174.29 1ehx s LYS 66 N 0.42 1.81 -0.37 4.92 2.47 0.20 -4.77 119.74 124.42 1ehx s LYS 66 Ca 0.22 -0.82 -0.23 0.00 -1.56 0.00 0.00 55.97 53.58 1ehx s LYS 66 Cb -0.09 -5.12 0.01 0.00 -1.46 0.00 0.00 37.83 31.17 1ehx s LYS 66 CO -0.09 -4.79 0.76 -0.08 0.16 0.00 0.00 175.35 171.30 1ehx s THR 67 N 14.16 4.75 -0.70 3.43 -1.32 -1.26 -1.38 115.64 133.32 1ehx s THR 67 Ca 0.75 0.76 -0.17 0.00 -1.21 0.00 0.00 61.69 61.82 1ehx s THR 67 Cb -0.03 -4.20 0.15 0.00 -1.51 0.00 0.00 72.50 66.91 1ehx s THR 67 CO 0.16 -0.45 0.75 -1.48 -2.21 0.00 0.00 174.62 171.39 1ehx s LEU 68 N 3.05 5.90 -0.64 9.08 2.34 0.15 -4.64 118.68 133.92 1ehx s LEU 68 Ca 0.30 -1.96 -0.22 0.00 0.06 0.00 0.00 54.13 52.30 1ehx s LEU 68 Cb -0.13 -2.27 0.07 0.00 -0.56 0.00 0.00 46.19 43.30 1ehx s LEU 68 CO 0.17 -0.90 0.93 -0.89 -1.06 0.00 0.00 176.35 174.60 1ehx s THR 69 N 1.74 4.40 -0.46 5.48 2.01 -1.26 -1.28 115.64 126.26 1ehx s THR 69 Ca 0.15 -0.37 -0.28 0.00 0.31 0.00 0.00 61.69 61.50 1ehx s THR 69 Cb -0.18 -4.64 0.01 0.00 0.01 0.00 0.00 72.50 67.70 1ehx s THR 69 CO -0.01 -1.37 1.46 -0.36 -0.69 0.00 0.00 174.62 173.65 1ehx s PHE 70 N 3.87 2.28 -0.61 4.92 0.40 -1.16 -4.13 117.98 123.55 1ehx s PHE 70 Ca 0.22 0.61 -0.26 0.00 -0.60 0.00 0.00 56.93 56.89 1ehx s PHE 70 Cb -0.17 -4.31 -0.03 0.00 0.51 0.00 0.00 43.02 39.02 1ehx s PHE 70 CO 0.11 -2.07 1.90 0.34 0.70 0.00 0.00 175.22 176.20 1ehx s ASP 71 N 4.47 5.20 -0.29 1.36 2.15 -0.39 -4.26 116.67 124.90 1ehx s ASP 71 Ca 0.60 0.36 0.11 0.00 0.43 0.00 0.00 52.55 54.05 1ehx s ASP 71 Cb -0.13 -2.53 0.76 0.00 -0.30 0.00 0.00 42.92 40.72 1ehx s ASP 71 CO 0.30 -2.43 1.77 0.49 -0.17 0.00 0.00 175.17 175.13 1ehx n PHE 72 N 13.03 2.33 -0.83 -5.34 3.01 -1.26 -0.15 117.46 128.26 1ehx n PHE 72 Ca 0.22 -1.04 0.00 0.00 1.01 0.00 0.00 57.45 57.64 1ehx n PHE 72 Cb 0.52 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 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 0.09 0.11 0.11 1.37 0.00 -1.26 -4.43 105.19 101.18 1ehx n GLY 73 Ca 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.09 1.05 0.00 1.61 0.24 -1.26 -5.02 118.33 112.86 1ehx n VAL 74 Ca 0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1ehx n VAL 74 Cb 0.25 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 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 2.58 1.82 0.37 7.63 0.00 -1.26 -4.37 105.19 111.97 1ehx n GLY 75 Ca -0.33 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.27 2.61 2.02 -2.01 0.86 112.91 116.12 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 -4.89 1.74 -1.67 6.66 2.85 -1.26 -4.91 118.16 116.67 1ehx n LYS 77 Ca -0.03 -1.00 -0.45 0.00 -1.05 0.00 0.00 58.31 55.77 1ehx n LYS 77 Cb 0.28 -1.29 -0.04 0.00 -0.65 0.00 0.00 35.03 33.34 1ehx n LYS 77 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1ehx n ASN 78 N 0.29 3.79 -4.55 -5.58 2.85 0.29 -4.85 115.26 107.50 1ehx n ASN 78 Ca 0.09 0.94 -0.34 0.00 -0.11 0.00 0.00 54.58 55.17 1ehx n ASN 78 Cb 0.28 -1.45 -0.04 0.00 1.24 0.00 0.00 39.78 39.82 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 4.19 2.27 -0.08 1.20 0.04 -1.26 -4.88 135.00 136.48 1ehx s PRO 79 Ca 0.91 0.87 -0.06 0.00 0.04 0.00 0.00 61.00 62.76 1ehx s PRO 79 Cb -0.57 -4.58 -0.04 0.00 0.04 0.00 0.00 34.50 29.35 1ehx s PRO 79 CO 0.47 -3.22 0.16 0.15 0.04 0.00 0.00 177.00 174.60 1ehx s LYS 80 N 7.78 3.45 -0.26 4.56 3.01 -1.26 -3.01 119.74 134.02 1ehx s LYS 80 Ca 0.83 -0.17 0.02 0.00 -1.01 0.00 0.00 55.97 55.64 1ehx s LYS 80 Cb -0.14 -3.16 0.06 0.00 -1.01 0.00 0.00 37.83 33.58 1ehx s LYS 80 CO 0.20 0.74 -0.09 -0.51 0.51 0.00 0.00 175.35 176.20 1ehx s LEU 81 N -1.31 3.26 -0.47 3.17 1.43 -0.41 -4.35 118.68 120.00 1ehx s LEU 81 Ca 0.19 -1.36 -0.19 0.00 -1.03 0.00 0.00 54.13 51.74 1ehx s LEU 81 Cb -0.12 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.68 1ehx s LEU 81 CO 0.09 -0.21 0.60 0.28 0.23 0.00 0.00 176.35 177.34 1ehx s THR 82 N 1.17 4.89 -0.20 5.49 -1.32 -0.55 0.31 115.64 125.43 1ehx s THR 82 Ca -0.08 -0.24 -0.03 0.00 -1.21 0.00 0.00 61.69 60.14 1ehx s THR 82 Cb -0.20 -4.22 -0.00 0.00 -1.51 0.00 0.00 72.50 66.57 1ehx s THR 82 CO -0.05 -0.66 -0.08 -0.51 -2.21 0.00 0.00 174.62 171.10 1ehx s ILE 83 N 2.62 3.10 -0.31 5.08 2.07 -0.48 -0.94 121.20 132.35 1ehx s ILE 83 Ca 0.17 -0.59 -0.29 0.00 -1.41 0.00 0.00 60.65 58.53 1ehx s ILE 83 Cb -0.17 -2.38 0.00 0.00 0.13 0.00 0.00 42.46 40.04 1ehx s ILE 83 CO 0.15 0.46 1.31 -0.89 -1.91 0.00 0.00 174.94 174.05 1ehx s THR 84 N 1.29 4.13 -0.58 4.00 2.01 0.90 0.61 115.64 127.99 1ehx s THR 84 Ca 0.03 1.26 -0.14 0.00 0.31 0.00 0.00 61.69 63.15 1ehx s THR 84 Cb -0.14 -4.16 0.14 0.00 0.01 0.00 0.00 72.50 68.35 1ehx s THR 84 CO -0.04 -0.49 0.52 0.68 -0.69 0.00 0.00 174.62 174.60 1ehx s VAL 85 N 4.43 5.11 0.70 3.82 -7.23 0.11 -0.84 120.40 126.51 1ehx s VAL 85 Ca 0.57 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.89 1ehx s VAL 85 Cb -0.16 -4.27 0.01 0.00 0.56 0.00 0.00 36.38 32.52 1ehx s VAL 85 CO 0.24 -0.88 1.07 -0.76 -0.31 0.00 0.00 175.10 174.45 1ehx s LEU 86 N 1.29 3.15 0.09 1.32 1.43 -0.57 -0.76 118.68 124.62 1ehx s LEU 86 Ca 0.06 1.68 -0.31 0.00 -1.03 0.00 0.00 54.13 54.54 1ehx s LEU 86 Cb -0.26 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.38 1ehx s LEU 86 CO 0.00 -1.54 1.52 -2.16 0.23 0.00 0.00 176.35 174.40 1ehx s PRO 87 N -4.92 4.25 0.29 1.29 0.04 -1.26 0.31 135.00 135.01 1ehx s PRO 87 Ca 0.59 2.20 -0.26 0.00 0.04 0.00 0.00 61.00 63.57 1ehx s PRO 87 Cb -0.15 -3.40 -0.15 0.00 0.04 0.00 0.00 34.50 30.84 1ehx s PRO 87 CO 0.53 -0.60 0.56 1.63 0.04 0.00 0.00 177.00 179.17 1ehx n LYS 88 N 4.76 0.40 -4.17 4.56 5.02 -1.26 -4.75 118.16 122.72 1ehx n LYS 88 Ca 0.14 0.14 -0.16 0.00 -2.02 0.00 0.00 58.31 56.41 1ehx n LYS 88 Cb 0.41 -1.28 -0.13 0.00 -0.02 0.00 0.00 35.03 34.01 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 -0.90 0.95 -0.54 4.39 -1.08 -1.26 -5.07 116.67 113.16 1ehx s ASP 89 Ca 0.62 -0.36 -0.02 0.00 -0.52 0.00 0.00 52.55 52.27 1ehx s ASP 89 Cb -0.77 -0.04 0.14 0.00 -1.46 0.00 0.00 42.92 40.79 1ehx s ASP 89 CO 0.58 -0.05 0.34 -0.51 0.52 0.00 0.00 175.17 176.06 1ehx s ILE 90 N -0.79 3.46 0.49 4.11 -1.16 -1.26 -5.09 121.20 120.97 1ehx s ILE 90 Ca -0.03 -2.69 -0.21 0.00 -0.51 0.00 0.00 60.65 57.20 1ehx s ILE 90 Cb -0.07 -3.31 -0.07 0.00 0.61 0.00 0.00 42.46 39.63 1ehx s ILE 90 CO 0.00 -0.81 1.15 -2.16 -2.81 0.00 0.00 174.94 170.31 1ehx s PRO 91 N 0.31 3.59 -0.53 3.50 0.04 -1.26 -3.76 135.00 136.90 1ehx s PRO 91 Ca 0.14 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 1ehx s PRO 91 Cb -0.21 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1ehx s PRO 91 CO -0.03 -0.67 0.40 0.41 0.04 0.00 0.00 177.00 177.15 1ehx n GLY 92 N 0.31 0.35 2.75 0.56 0.00 -1.26 -4.88 105.19 103.03 1ehx n GLY 92 Ca 0.09 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 1ehx n GLY 92 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ehx n LEU 93 N -2.10 3.62 0.00 0.99 -0.00 -1.25 -5.35 117.00 112.92 1ehx n LEU 93 Ca -0.01 -2.41 0.00 0.00 -0.00 0.00 0.00 56.01 53.59 1ehx n LEU 93 Cb 0.53 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 1ehx n LEU 93 CO 0.23 0.06 0.00 1.21 -0.00 0.00 0.00 177.39 178.89