#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 0.61 -0.49 2.12 -0.21 -1.26 -5.03 119.66 115.40 1ehx s GLN 2 Ca 0.00 -0.97 0.05 0.00 0.02 0.00 0.00 55.36 54.46 1ehx s GLN 2 Cb 0.00 0.23 0.19 0.00 1.00 0.00 0.00 33.01 34.43 1ehx s GLN 2 CO 0.00 -0.14 0.44 -0.40 -2.12 0.00 0.00 175.29 173.06 1ehx n ASP 3 N 0.43 0.73 -4.87 5.90 5.75 -1.26 -5.05 116.55 118.18 1ehx n ASP 3 Ca -0.17 -2.70 -0.32 0.00 -0.01 0.00 0.00 54.79 51.60 1ehx n ASP 3 Cb 0.60 -0.62 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 1ehx n ASP 3 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1ehx s PRO 4 N -0.69 3.81 -0.01 0.11 0.04 -1.26 -4.73 135.00 132.28 1ehx s PRO 4 Ca 0.32 0.30 -0.00 0.00 0.04 0.00 0.00 61.00 61.66 1ehx s PRO 4 Cb 0.05 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 1ehx s PRO 4 CO -0.16 0.29 0.06 0.99 0.04 0.00 0.00 177.00 178.22 1ehx s THR 5 N -1.85 4.61 -0.02 1.26 2.01 -0.58 -4.93 115.64 116.13 1ehx s THR 5 Ca 0.48 -0.44 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 1ehx s THR 5 Cb -0.11 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1ehx s THR 5 CO 0.21 0.36 0.16 -0.51 -0.69 0.00 0.00 174.62 174.16 1ehx s ILE 6 N -1.16 0.06 0.00 1.82 1.10 -1.26 -0.29 121.20 121.47 1ehx s ILE 6 Ca 0.22 -0.48 0.00 0.00 -0.51 0.00 0.00 60.65 59.88 1ehx s ILE 6 Cb -0.12 -0.40 0.00 0.00 0.15 0.00 0.00 42.46 42.09 1ehx s ILE 6 CO 0.13 -0.26 0.00 -0.46 -2.11 0.00 0.00 174.94 172.23 1ehx n ASN 7 N 1.87 0.00 -1.23 4.50 2.04 -1.18 -5.01 115.26 116.25 1ehx n ASN 7 Ca -0.20 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.94 1ehx n ASN 7 Cb 0.56 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.81 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 1.77 -0.18 -0.53 -0.04 -1.26 -5.05 135.00 129.70 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 -0.60 0.00 -3.68 0.52 -1.04 -1.26 -4.70 114.28 103.52 1ehx n THR 9 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1ehx n THR 9 Cb 0.00 0.24 -0.10 0.00 -1.82 0.00 0.00 70.33 68.65 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 -0.10 -0.47 0.12 8.00 0.01 -1.25 0.00 113.70 120.00 1ehx s SER 10 Ca 0.00 0.97 -0.18 0.00 1.31 0.00 0.00 55.95 58.04 1ehx s SER 10 Cb 0.00 0.98 0.05 0.00 0.21 0.00 0.00 66.02 67.26 1ehx s SER 10 CO 0.00 -0.21 0.46 -0.51 0.41 0.00 0.00 173.24 173.39 1ehx s ILE 11 N 1.77 0.05 -0.12 1.44 2.07 -0.08 -4.96 121.20 121.36 1ehx s ILE 11 Ca -0.07 -0.39 -0.09 0.00 -1.41 0.00 0.00 60.65 58.69 1ehx s ILE 11 Cb -0.09 -1.10 0.04 0.00 0.13 0.00 0.00 42.46 41.44 1ehx s ILE 11 CO -0.13 -0.22 0.31 -0.94 -1.91 0.00 0.00 174.94 172.05 1ehx s SER 12 N -2.67 -0.35 0.06 4.50 1.04 -1.26 -0.12 113.70 114.91 1ehx s SER 12 Ca 0.01 0.65 -0.28 0.00 0.48 0.00 0.00 55.95 56.82 1ehx s SER 12 Cb 0.01 0.59 0.09 0.00 0.10 0.00 0.00 66.02 66.82 1ehx s SER 12 CO -0.11 -0.14 1.14 0.00 0.98 0.00 0.00 173.24 175.10 1ehx s ALA 13 N 0.77 -1.97 0.34 5.32 0.00 -0.17 -4.89 121.76 121.16 1ehx s ALA 13 Ca -0.05 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.07 1ehx s ALA 13 Cb -0.06 0.49 -0.09 0.00 0.00 0.00 0.00 23.12 23.45 1ehx s ALA 13 CO -0.05 -1.05 1.20 0.21 0.00 0.00 0.00 175.76 176.07 1ehx s LYS 14 N -2.82 4.34 -0.44 0.00 2.20 -1.26 -1.55 119.74 120.20 1ehx s LYS 14 Ca 0.13 1.96 -0.26 0.00 -0.36 0.00 0.00 55.97 57.44 1ehx s LYS 14 Cb 0.02 -2.97 -0.07 0.00 -1.51 0.00 0.00 37.83 33.30 1ehx s LYS 14 CO -0.01 -0.11 2.37 0.00 -0.36 0.00 0.00 175.35 177.24 1ehx s ALA 15 N -1.24 1.83 0.00 3.13 0.00 0.11 -0.18 121.76 125.41 1ehx s ALA 15 Ca 0.50 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1ehx s ALA 15 Cb -0.34 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 18.48 1ehx s ALA 15 CO 0.44 -4.15 0.00 0.41 0.00 0.00 0.00 175.76 172.46 1ehx n GLY 16 N 5.96 1.69 0.00 0.00 0.00 -1.26 -4.69 105.19 106.89 1ehx n GLY 16 Ca 0.35 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 0.75 -4.18 113.62 110.83 1ehx n SER 17 Ca 0.00 -0.70 -0.46 0.00 -0.26 0.00 0.00 58.87 57.45 1ehx n SER 17 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1ehx n SER 17 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ehx s PHE 18 N -2.00 3.79 0.76 7.33 0.40 -1.26 -4.91 117.98 122.10 1ehx s PHE 18 Ca 0.06 -2.13 -0.12 0.00 -0.60 0.00 0.00 56.93 54.15 1ehx s PHE 18 Cb 0.03 -3.96 0.06 0.00 0.51 0.00 0.00 43.02 39.66 1ehx s PHE 18 CO 0.05 -1.11 1.11 0.00 0.70 0.00 0.00 175.22 175.98 1ehx s ALA 19 N 0.30 2.17 -0.35 5.36 0.00 -1.26 -3.27 121.76 124.72 1ehx s ALA 19 Ca 0.27 0.44 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 1ehx s ALA 19 Cb -0.08 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 1ehx s ALA 19 CO -0.08 -1.81 1.44 -3.47 0.00 0.00 0.00 175.76 171.84 1ehx n ASP 20 N -3.30 0.57 -4.88 0.00 -0.08 -1.26 -4.51 116.55 103.10 1ehx n ASP 20 Ca 0.10 0.52 -0.21 0.00 -1.51 0.00 0.00 54.79 53.70 1ehx n ASP 20 Cb 0.52 -0.63 -0.03 0.00 2.34 0.00 0.00 41.12 43.33 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 3.90 3.64 0.04 5.18 2.01 0.36 -4.87 115.64 125.90 1ehx s THR 21 Ca 0.82 -1.30 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1ehx s THR 21 Cb -1.05 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 1ehx s THR 21 CO 0.48 -0.17 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.37 1ehx s LYS 22 N -4.02 0.76 0.05 4.92 2.36 -1.26 0.13 119.74 122.67 1ehx s LYS 22 Ca 0.42 -0.74 -0.00 0.00 -2.55 0.00 0.00 55.97 53.09 1ehx s LYS 22 Cb -0.06 -0.71 -0.04 0.00 -1.05 0.00 0.00 37.83 35.97 1ehx s LYS 22 CO 0.27 0.17 -0.04 0.42 1.55 0.00 0.00 175.35 177.72 1ehx s ILE 23 N -0.99 0.28 -0.24 5.43 1.01 0.73 -4.92 121.20 122.50 1ehx s ILE 23 Ca -0.02 -1.65 0.02 0.00 0.00 0.00 0.00 60.65 59.00 1ehx s ILE 23 Cb -0.08 -1.30 0.05 0.00 0.01 0.00 0.00 42.46 41.14 1ehx s ILE 23 CO 0.01 -0.88 -0.13 -0.89 0.00 0.00 0.00 174.94 173.06 1ehx s THR 24 N -3.38 2.10 -0.45 2.92 2.01 -1.26 -1.22 115.64 116.35 1ehx s THR 24 Ca 0.03 -1.44 -0.01 0.00 0.31 0.00 0.00 61.69 60.57 1ehx s THR 24 Cb 0.04 -2.14 0.12 0.00 0.01 0.00 0.00 72.50 70.53 1ehx s THR 24 CO -0.07 0.10 0.23 -0.76 -0.69 0.00 0.00 174.62 173.43 1ehx s LEU 25 N 1.17 5.12 -0.16 4.42 1.43 0.80 -3.10 118.68 128.35 1ehx s LEU 25 Ca -0.06 -2.28 -0.29 0.00 -1.03 0.00 0.00 54.13 50.47 1ehx s LEU 25 Cb -0.18 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1ehx s LEU 25 CO -0.07 -0.47 1.58 -0.89 0.23 0.00 0.00 176.35 176.73 1ehx s THR 26 N 0.77 3.74 -2.37 5.49 2.01 0.61 -4.19 115.64 121.70 1ehx s THR 26 Ca 0.11 0.87 0.23 0.00 0.31 0.00 0.00 61.69 63.21 1ehx s THR 26 Cb -0.22 -3.67 0.48 0.00 0.01 0.00 0.00 72.50 69.10 1ehx s THR 26 CO -0.04 -0.20 1.59 -0.81 -0.69 0.00 0.00 174.62 174.47 1ehx n PRO 27 N 7.35 1.76 -0.76 4.92 -0.04 -1.26 -1.53 135.00 145.44 1ehx n PRO 27 Ca 0.18 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 1ehx n PRO 27 Cb 0.44 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1ehx n PRO 27 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ehx n ASN 28 N 0.35 -0.65 0.00 3.54 4.05 -1.26 0.38 115.26 121.67 1ehx n ASN 28 Ca 0.17 -0.44 0.00 0.00 0.45 0.00 0.00 54.58 54.76 1ehx n ASN 28 Cb 0.36 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.37 1ehx n ASN 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ehx n GLY 29 N 2.84 0.75 3.94 8.20 0.00 -1.26 -4.75 105.19 114.90 1ehx n GLY 29 Ca 0.00 -0.02 -0.19 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 -0.75 5.54 0.13 1.61 0.01 1.21 -4.90 114.94 117.78 1ehx s ASN 30 Ca 0.00 -0.44 0.05 0.00 -0.71 0.00 0.00 52.86 51.76 1ehx s ASN 30 Cb 0.00 -0.88 -0.04 0.00 0.41 0.00 0.00 41.25 40.74 1ehx s ASN 30 CO 0.00 -0.54 -0.11 0.28 -1.51 0.00 0.00 177.10 175.22 1ehx s THR 31 N -2.31 1.16 -0.14 1.60 -1.32 -1.26 -4.32 115.64 109.05 1ehx s THR 31 Ca 0.47 -1.89 -0.02 0.00 -1.21 0.00 0.00 61.69 59.04 1ehx s THR 31 Cb -0.07 -1.67 -0.02 0.00 -1.51 0.00 0.00 72.50 69.23 1ehx s THR 31 CO 0.30 -0.63 -0.08 0.12 -2.21 0.00 0.00 174.62 172.12 1ehx s PHE 32 N -2.85 2.92 -0.15 9.09 5.36 -1.26 -4.05 117.98 127.04 1ehx s PHE 32 Ca 0.12 -0.43 0.19 0.00 -0.96 0.00 0.00 56.93 55.85 1ehx s PHE 32 Cb -0.00 -1.89 -0.27 0.00 -0.34 0.00 0.00 43.02 40.51 1ehx s PHE 32 CO 0.01 -0.09 0.21 0.09 -1.46 0.00 0.00 175.22 173.98 1ehx n ASN 33 N 3.46 0.02 0.00 6.13 3.02 0.88 -5.00 115.26 123.76 1ehx n ASN 33 Ca -0.18 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1ehx n ASN 33 Cb 0.53 1.28 0.00 0.00 -0.61 0.00 0.00 39.78 40.97 1ehx n ASN 33 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ehx n GLY 34 N 1.60 2.31 3.28 7.41 0.00 -1.25 -4.97 105.19 113.57 1ehx n GLY 34 Ca -0.24 -2.05 -0.45 0.00 0.00 0.00 0.00 46.02 43.29 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 -1.74 4.96 0.19 -0.61 1.01 -1.26 -1.31 121.20 122.45 1ehx s ILE 35 Ca 0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 60.65 58.80 1ehx s ILE 35 Cb 0.00 -4.19 0.11 0.00 0.01 0.00 0.00 42.46 38.39 1ehx s ILE 35 CO 0.00 -0.87 1.83 0.28 0.00 0.00 0.00 174.94 176.18 1ehx h SER 36 N 8.59 0.60 -1.17 3.58 0.02 -1.95 0.71 113.55 123.93 1ehx h SER 36 Ca -0.22 0.00 0.34 0.00 -0.84 0.00 0.00 61.79 61.07 1ehx h SER 36 Cb 1.08 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.45 1ehx h SER 36 CO 0.95 0.42 0.96 -0.08 -1.14 0.00 0.00 176.83 177.94 1ehx h GLU 37 N 0.72 0.00 -2.36 3.45 4.81 -1.91 -2.97 114.58 116.32 1ehx h GLU 37 Ca 0.24 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.96 1ehx h GLU 37 Cb 0.03 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 29.05 1ehx h GLU 37 CO -0.11 0.00 -0.81 -0.48 -0.73 0.00 0.00 179.01 176.88 1ehx s LEU 38 N -7.72 0.68 -0.59 1.64 0.05 0.22 -5.06 118.68 107.90 1ehx s LEU 38 Ca -0.04 -2.08 -0.08 0.00 0.05 0.00 0.00 54.13 51.98 1ehx s LEU 38 Cb 0.21 -0.10 -0.19 0.00 -2.05 0.00 0.00 46.19 44.06 1ehx s LEU 38 CO 0.71 -0.28 1.32 1.67 -0.55 0.00 0.00 176.35 179.22 1ehx n GLN 39 N 3.99 0.00 0.00 1.48 7.27 -1.04 -4.35 117.38 124.73 1ehx n GLN 39 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.20 1ehx n GLN 39 Cb 0.40 -0.64 0.00 0.00 2.41 0.00 0.00 30.24 32.42 1ehx n GLN 39 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1ehx n SER 40 N 3.73 0.00 -0.03 1.69 7.64 -1.19 -0.77 113.62 124.69 1ehx n SER 40 Ca 0.40 0.00 0.23 0.00 1.01 0.00 0.00 58.87 60.51 1ehx n SER 40 Cb 0.07 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.61 6.43 0.87 -1.93 0.60 113.55 118.92 1ehx h SER 41 Ca 0.00 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1ehx h SER 41 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1ehx h SER 41 CO 0.00 0.00 0.41 0.06 -0.53 0.00 0.00 176.83 176.77 1ehx h GLN 42 N 0.00 0.38 0.00 2.24 -0.00 -1.15 -3.43 115.11 113.15 1ehx h GLN 42 Ca 0.32 -0.02 -0.25 0.00 -0.00 0.00 0.00 58.65 58.70 1ehx h GLN 42 Cb 1.94 -0.09 -0.05 0.00 -0.00 0.00 0.00 27.48 29.29 1ehx h GLN 42 CO -0.00 0.25 -0.18 2.48 -0.00 0.00 0.00 178.83 181.38 1ehx n TYR 43 N -4.47 0.38 -3.74 0.06 0.18 0.21 -2.73 117.16 107.06 1ehx n TYR 43 Ca 0.10 -0.97 -0.30 0.00 1.88 0.00 0.00 57.90 58.61 1ehx n TYR 43 Cb 0.39 -0.11 -0.13 0.00 -0.38 0.00 0.00 39.34 39.11 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 -1.78 1.49 0.99 -3.48 2.01 0.35 -4.89 115.64 110.32 1ehx s THR 44 Ca 0.01 -2.55 -0.12 0.00 0.31 0.00 0.00 61.69 59.34 1ehx s THR 44 Cb 0.00 -2.05 0.18 0.00 0.01 0.00 0.00 72.50 70.65 1ehx s THR 44 CO 0.01 -0.87 1.09 -1.59 -0.69 0.00 0.00 174.62 172.57 1ehx s LYS 45 N 0.37 0.52 -0.46 4.92 -2.85 -1.26 -0.79 119.74 120.20 1ehx s LYS 45 Ca 0.17 0.60 0.07 0.00 -1.00 0.00 0.00 55.97 55.81 1ehx s LYS 45 Cb -0.24 -1.74 0.24 0.00 -2.06 0.00 0.00 37.83 34.03 1ehx s LYS 45 CO -0.01 -2.69 0.78 0.41 0.10 0.00 0.00 175.35 173.94 1ehx n GLY 46 N -0.98 0.87 2.99 0.59 0.00 0.56 -4.85 105.19 104.36 1ehx n GLY 46 Ca 0.05 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 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 1.58 -0.18 0.00 2.61 5.66 -1.26 -1.50 114.28 121.19 1ehx n THR 47 Ca 0.13 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1ehx n THR 47 Cb 0.60 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1ehx n THR 47 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1ehx n ASN 48 N -0.77 0.00 -4.75 1.09 2.85 -1.26 -4.87 115.26 107.55 1ehx n ASN 48 Ca -0.03 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.22 1ehx n ASN 48 Cb 0.23 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.20 1ehx n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1ehx s GLU 49 N 0.00 2.61 -0.02 1.20 2.02 -0.56 0.28 118.70 124.22 1ehx s GLU 49 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.72 1ehx s GLU 49 Cb 0.00 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 31.89 1ehx s GLU 49 CO 0.00 0.31 0.00 0.54 0.02 0.00 0.00 175.26 176.13 1ehx s VAL 50 N -2.26 0.15 -0.23 2.63 0.11 -0.36 0.21 120.40 120.65 1ehx s VAL 50 Ca 0.34 0.07 -0.00 0.00 -2.93 0.00 0.00 61.98 59.46 1ehx s VAL 50 Cb -0.06 -0.23 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1ehx s VAL 50 CO 0.23 0.12 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.13 1ehx s THR 51 N 0.86 2.59 0.34 5.04 2.01 0.03 0.26 115.64 126.77 1ehx s THR 51 Ca -0.08 -1.03 -0.28 0.00 0.31 0.00 0.00 61.69 60.60 1ehx s THR 51 Cb -0.12 -2.27 -0.10 0.00 0.01 0.00 0.00 72.50 70.03 1ehx s THR 51 CO -0.02 0.29 1.23 -0.76 -0.69 0.00 0.00 174.62 174.68 1ehx s LEU 52 N 1.30 4.40 -0.51 4.42 1.02 0.34 0.13 118.68 129.77 1ehx s LEU 52 Ca 0.01 2.53 -0.09 0.00 0.02 0.00 0.00 54.13 56.60 1ehx s LEU 52 Cb -0.16 -3.73 0.13 0.00 0.02 0.00 0.00 46.19 42.45 1ehx s LEU 52 CO -0.07 -0.49 0.39 -0.76 0.02 0.00 0.00 176.35 175.43 1ehx s LEU 53 N -1.89 5.74 0.55 1.79 1.02 -1.10 -0.48 118.68 124.30 1ehx s LEU 53 Ca 0.50 -2.06 0.02 0.00 0.02 0.00 0.00 54.13 52.61 1ehx s LEU 53 Cb -0.36 -2.01 0.06 0.00 0.02 0.00 0.00 46.19 43.90 1ehx s LEU 53 CO 0.47 -0.66 0.86 0.00 0.02 0.00 0.00 176.35 177.04 1ehx n ALA 54 N 4.72 0.07 -0.05 4.21 0.00 -1.20 0.50 120.51 128.75 1ehx n ALA 54 Ca -0.05 0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 1ehx n ALA 54 Cb 0.41 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 1ehx n ALA 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ehx h SER 55 N 0.00 0.43 0.30 0.00 0.87 -1.91 -1.05 113.55 112.17 1ehx h SER 55 Ca 0.03 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 1ehx h SER 55 Cb 1.74 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 1ehx h SER 55 CO -0.00 0.87 -0.14 0.22 -0.53 0.00 0.00 176.83 177.24 1ehx h TYR 56 N -0.00 -0.37 -0.79 2.24 5.03 -0.20 -3.01 116.97 119.87 1ehx h TYR 56 Ca 0.01 -0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.46 1ehx h TYR 56 Cb 0.77 0.12 -0.05 0.00 1.55 0.00 0.00 36.73 39.12 1ehx h TYR 56 CO 0.09 -0.08 0.52 1.25 -1.32 0.00 0.00 178.16 178.62 1ehx h LEU 57 N -1.02 0.46 -1.82 2.82 6.46 -1.67 0.66 115.31 121.21 1ehx h LEU 57 Ca -0.04 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1ehx h LEU 57 Cb 0.45 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1ehx h LEU 57 CO 0.07 0.24 -0.14 -1.13 -0.62 0.00 0.00 178.44 176.86 1ehx h ASN 58 N 0.49 0.00 0.99 1.25 -1.24 -1.21 -1.86 115.58 114.01 1ehx h ASN 58 Ca 0.39 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.29 1ehx h ASN 58 Cb 0.80 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.83 1ehx h ASN 58 CO -0.14 0.14 -1.07 0.71 -1.29 0.00 0.00 177.43 175.78 1ehx h THR 59 N 0.00 0.40 -2.15 -3.57 1.35 0.39 -3.39 112.91 105.94 1ehx h THR 59 Ca -0.00 -1.72 -0.57 0.00 -0.55 0.00 0.00 66.41 63.57 1ehx h THR 59 Cb 0.37 1.96 0.21 0.00 -1.73 0.00 0.00 68.15 68.95 1ehx h THR 59 CO 0.02 0.23 -1.38 0.18 -0.25 0.00 0.00 175.52 174.32 1ehx n LEU 60 N -2.91 -4.20 -4.30 3.87 4.77 -0.17 -4.92 117.00 109.15 1ehx n LEU 60 Ca -0.04 0.43 -0.30 0.00 -0.03 0.00 0.00 56.01 56.07 1ehx n LEU 60 Cb 0.73 -0.85 0.29 0.00 -2.33 0.00 0.00 43.42 41.25 1ehx n LEU 60 CO 0.41 -5.16 0.40 -2.84 -1.33 0.00 0.00 177.39 168.88 1ehx s PRO 61 N -1.68 -2.82 0.00 3.23 0.02 -1.26 -4.99 135.00 127.50 1ehx s PRO 61 Ca 0.50 0.27 0.00 0.00 0.02 0.00 0.00 61.00 61.79 1ehx s PRO 61 Cb -0.34 -1.38 0.00 0.00 0.02 0.00 0.00 34.50 32.81 1ehx s PRO 61 CO 0.73 -4.83 0.00 0.39 -0.33 0.00 0.00 177.00 172.95 1ehx n GLU 62 N -5.62 -0.47 -0.92 5.54 4.71 -1.26 -4.27 120.64 118.35 1ehx n GLU 62 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1ehx n GLU 62 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.02 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 -1.72 -1.07 -4.64 1.62 2.04 -0.92 -4.63 115.26 105.94 1ehx n ASN 63 Ca 0.00 -0.60 -0.27 0.00 -0.44 0.00 0.00 54.58 53.28 1ehx n ASN 63 Cb 0.00 -0.09 -0.08 0.00 -2.53 0.00 0.00 39.78 37.08 1ehx n ASN 63 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1ehx s THR 64 N 2.29 3.59 -0.98 5.53 -4.23 0.07 -4.92 115.64 116.99 1ehx s THR 64 Ca 0.00 -1.48 -0.19 0.00 -1.18 0.00 0.00 61.69 58.84 1ehx s THR 64 Cb 0.00 -2.80 0.11 0.00 1.34 0.00 0.00 72.50 71.15 1ehx s THR 64 CO 0.00 -0.11 1.24 0.28 -0.54 0.00 0.00 174.62 175.49 1ehx s THR 65 N -1.72 4.54 -1.07 3.99 -1.32 -1.26 -0.93 115.64 117.87 1ehx s THR 65 Ca 0.27 -1.46 -0.25 0.00 -1.21 0.00 0.00 61.69 59.04 1ehx s THR 65 Cb -0.09 -4.87 -0.16 0.00 -1.51 0.00 0.00 72.50 65.87 1ehx s THR 65 CO 0.18 -1.63 1.99 1.17 -2.21 0.00 0.00 174.62 174.11 1ehx n LYS 66 N 7.10 0.94 -2.97 7.08 3.00 0.34 -4.70 118.16 128.95 1ehx n LYS 66 Ca 0.28 -2.08 -0.44 0.00 -0.00 0.00 0.00 58.31 56.07 1ehx n LYS 66 Cb 0.49 -3.72 -0.03 0.00 0.00 0.00 0.00 35.03 31.77 1ehx n LYS 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1ehx s THR 67 N 13.04 4.65 -0.57 3.15 2.01 -1.25 0.89 115.64 137.56 1ehx s THR 67 Ca 0.73 -1.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.44 1ehx s THR 67 Cb -0.01 -4.65 -0.02 0.00 0.01 0.00 0.00 72.50 67.83 1ehx s THR 67 CO 0.17 -1.36 1.85 -0.76 -0.69 0.00 0.00 174.62 173.82 1ehx s LEU 68 N 3.06 3.32 -0.74 4.42 1.02 0.53 -4.74 118.68 125.56 1ehx s LEU 68 Ca 0.22 0.47 -0.18 0.00 0.02 0.00 0.00 54.13 54.66 1ehx s LEU 68 Cb -0.15 -2.67 0.14 0.00 0.02 0.00 0.00 46.19 43.54 1ehx s LEU 68 CO 0.02 -2.29 0.82 -0.89 0.02 0.00 0.00 176.35 174.03 1ehx s THR 69 N 8.78 5.01 -0.54 5.49 2.01 -1.26 0.21 115.64 135.34 1ehx s THR 69 Ca 0.69 -1.53 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1ehx s THR 69 Cb -0.14 -4.55 0.01 0.00 0.01 0.00 0.00 72.50 67.83 1ehx s THR 69 CO 0.22 -1.19 1.42 -0.36 -0.69 0.00 0.00 174.62 174.03 1ehx s PHE 70 N 2.01 2.29 -0.71 4.92 0.40 -1.16 -4.10 117.98 121.62 1ehx s PHE 70 Ca 0.18 0.51 -0.26 0.00 -0.60 0.00 0.00 56.93 56.76 1ehx s PHE 70 Cb -0.16 -4.37 -0.03 0.00 0.51 0.00 0.00 43.02 38.97 1ehx s PHE 70 CO -0.02 -1.98 1.90 0.34 0.70 0.00 0.00 175.22 176.15 1ehx s ASP 71 N 4.43 5.21 -0.31 1.36 2.15 -0.42 -4.09 116.67 125.00 1ehx s ASP 71 Ca 0.54 -0.01 0.08 0.00 0.43 0.00 0.00 52.55 53.58 1ehx s ASP 71 Cb -0.11 -2.54 0.65 0.00 -0.30 0.00 0.00 42.92 40.62 1ehx s ASP 71 CO 0.26 -2.51 1.71 0.49 -0.17 0.00 0.00 175.17 174.95 1ehx n PHE 72 N 13.22 2.31 -0.13 -5.34 3.01 -1.26 -0.09 117.46 129.18 1ehx n PHE 72 Ca 0.27 -1.20 0.00 0.00 1.01 0.00 0.00 57.45 57.53 1ehx n PHE 72 Cb 0.50 -0.68 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 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 -0.26 2.21 2.55 1.37 0.00 -1.26 -4.34 105.19 105.46 1ehx n GLY 73 Ca 0.40 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.24 1ehx n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ehx n VAL 74 N -2.00 1.71 -0.37 1.61 0.24 -1.26 -4.92 118.33 113.34 1ehx n VAL 74 Ca 0.00 -3.94 0.30 0.00 -2.04 0.00 0.00 64.34 58.66 1ehx n VAL 74 Cb 0.00 -0.25 0.50 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.32 -0.61 0.37 7.63 0.00 -1.26 -0.61 105.19 110.38 1ehx n GLY 75 Ca 0.24 0.52 0.03 0.00 0.00 0.00 0.00 46.02 46.82 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 -3.93 -0.46 -0.71 2.61 -1.04 -1.26 -2.64 114.28 106.86 1ehx n THR 76 Ca 0.29 2.30 0.01 0.00 -2.04 0.00 0.00 64.05 64.61 1ehx n THR 76 Cb 1.17 -3.13 0.01 0.00 -1.82 0.00 0.00 70.33 66.57 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 -5.57 1.23 -0.95 -2.82 -0.00 0.22 -5.10 118.16 105.18 1ehx n LYS 77 Ca 0.14 -1.07 -0.36 0.00 -0.00 0.00 0.00 58.31 57.02 1ehx n LYS 77 Cb 0.46 -0.76 0.06 0.00 -0.00 0.00 0.00 35.03 34.79 1ehx n LYS 77 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1ehx n ASN 78 N -0.29 -4.11 -4.56 -5.58 0.23 -0.14 -4.76 115.26 96.05 1ehx n ASN 78 Ca 0.01 0.09 -0.41 0.00 -0.53 0.00 0.00 54.58 53.75 1ehx n ASN 78 Cb 0.43 -0.72 -0.03 0.00 -2.08 0.00 0.00 39.78 37.38 1ehx n ASN 78 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1ehx s PRO 79 N -2.31 3.46 0.15 -0.53 0.05 -1.26 -4.95 135.00 129.61 1ehx s PRO 79 Ca 0.42 -0.85 -0.04 0.00 0.05 0.00 0.00 61.00 60.58 1ehx s PRO 79 Cb -0.06 -5.00 -0.05 0.00 0.05 0.00 0.00 34.50 29.43 1ehx s PRO 79 CO 0.73 -2.20 0.38 0.15 0.05 0.00 0.00 177.00 176.11 1ehx s LYS 80 N 5.23 3.60 -0.14 4.56 1.02 -1.26 -2.99 119.74 129.76 1ehx s LYS 80 Ca 0.43 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 56.29 1ehx s LYS 80 Cb -0.02 -2.85 0.04 0.00 -0.52 0.00 0.00 37.83 34.48 1ehx s LYS 80 CO -0.02 0.46 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.69 1ehx s LEU 81 N -2.73 1.08 -0.32 3.17 2.96 0.13 -4.45 118.68 118.53 1ehx s LEU 81 Ca 0.41 -0.49 -0.20 0.00 -0.22 0.00 0.00 54.13 53.63 1ehx s LEU 81 Cb -0.12 -0.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.93 1ehx s LEU 81 CO 0.25 -0.22 0.61 0.28 -1.32 0.00 0.00 176.35 175.94 1ehx s THR 82 N 1.83 4.94 0.13 3.68 -1.32 0.10 0.20 115.64 125.21 1ehx s THR 82 Ca 0.02 0.71 0.07 0.00 -1.21 0.00 0.00 61.69 61.28 1ehx s THR 82 Cb -0.15 -4.01 -0.04 0.00 -1.51 0.00 0.00 72.50 66.80 1ehx s THR 82 CO -0.07 -0.19 -0.06 -0.63 -2.21 0.00 0.00 174.62 171.46 1ehx s ILE 83 N 2.59 3.52 -0.55 5.08 1.01 0.26 -0.90 121.20 132.21 1ehx s ILE 83 Ca 0.24 -1.34 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 1ehx s ILE 83 Cb -0.15 -2.70 0.14 0.00 0.01 0.00 0.00 42.46 39.76 1ehx s ILE 83 CO 0.13 0.01 0.39 -0.89 0.00 0.00 0.00 174.94 174.58 1ehx s THR 84 N -1.45 3.98 -0.73 2.92 2.01 0.83 0.13 115.64 123.33 1ehx s THR 84 Ca 0.24 -2.34 -0.21 0.00 0.31 0.00 0.00 61.69 59.69 1ehx s THR 84 Cb -0.10 -3.61 0.09 0.00 0.01 0.00 0.00 72.50 68.89 1ehx s THR 84 CO 0.16 -0.82 0.99 -0.69 -0.69 0.00 0.00 174.62 173.56 1ehx s VAL 85 N 0.68 4.47 0.66 3.82 1.01 -0.10 -1.00 120.40 129.94 1ehx s VAL 85 Ca 0.12 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1ehx s VAL 85 Cb -0.22 -4.70 -0.01 0.00 0.00 0.00 0.00 36.38 31.46 1ehx s VAL 85 CO -0.03 -1.45 1.05 -0.76 0.00 0.00 0.00 175.10 173.91 1ehx s LEU 86 N 3.59 3.20 0.86 3.92 2.01 -0.60 -0.75 118.68 130.91 1ehx s LEU 86 Ca 0.24 1.58 -0.11 0.00 0.01 0.00 0.00 54.13 55.85 1ehx s LEU 86 Cb -0.14 -4.49 0.11 0.00 0.01 0.00 0.00 46.19 41.67 1ehx s LEU 86 CO 0.05 -1.25 1.09 -2.16 1.01 0.00 0.00 176.35 175.09 1ehx s PRO 87 N -4.97 1.58 1.06 1.29 0.04 -1.26 0.07 135.00 132.81 1ehx s PRO 87 Ca 0.58 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 1ehx s PRO 87 Cb -0.13 -1.84 0.22 0.00 0.04 0.00 0.00 34.50 32.79 1ehx s PRO 87 CO 0.53 -2.03 1.07 0.15 0.04 0.00 0.00 177.00 176.75 1ehx s LYS 88 N -4.95 -0.04 0.26 4.56 3.01 -1.26 -4.61 119.74 116.71 1ehx s LYS 88 Ca 0.63 0.80 0.07 0.00 -1.01 0.00 0.00 55.97 56.46 1ehx s LYS 88 Cb -0.17 -1.66 -0.03 0.00 -1.01 0.00 0.00 37.83 34.95 1ehx s LYS 88 CO 0.56 -3.13 0.25 0.34 0.51 0.00 0.00 175.35 173.89 1ehx s ASP 89 N -2.94 5.70 -0.09 2.83 2.15 -1.26 -5.11 116.67 117.95 1ehx s ASP 89 Ca 0.67 -0.20 -0.00 0.00 0.43 0.00 0.00 52.55 53.44 1ehx s ASP 89 Cb -0.22 -1.46 -0.03 0.00 -0.30 0.00 0.00 42.92 40.91 1ehx s ASP 89 CO 0.61 -0.09 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.83 1ehx s ILE 90 N -2.12 3.79 0.48 4.11 1.09 -1.26 -5.11 121.20 122.19 1ehx s ILE 90 Ca 0.34 -0.43 -0.22 0.00 -1.10 0.00 0.00 60.65 59.24 1ehx s ILE 90 Cb -0.08 -2.58 -0.07 0.00 -1.06 0.00 0.00 42.46 38.67 1ehx s ILE 90 CO 0.26 0.58 1.15 -2.16 -0.10 0.00 0.00 174.94 174.67 1ehx s PRO 91 N -0.54 3.65 0.00 2.79 0.04 -1.26 -3.69 135.00 135.99 1ehx s PRO 91 Ca 0.08 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1ehx s PRO 91 Cb -0.12 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1ehx s PRO 91 CO 0.02 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.84 1ehx n GLY 92 N 0.36 3.10 0.00 0.56 0.00 -1.26 -4.96 105.19 102.98 1ehx n GLY 92 Ca 0.08 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.00 0.99 7.94 -1.24 -5.35 117.00 119.34 1ehx n LEU 93 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 1ehx n LEU 93 Cb 0.00 0.00 0.33 0.00 0.53 0.00 0.00 43.42 44.28 1ehx n LEU 93 CO 0.00 0.00 0.55 -0.62 -1.11 0.00 0.00 177.39 176.21