#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 3.49 -0.47 3.17 -0.21 -1.26 -5.08 119.66 119.30 1ehx s GLN 2 Ca 0.00 -0.46 0.05 0.00 0.02 0.00 0.00 55.36 54.98 1ehx s GLN 2 Cb 0.00 -2.79 0.20 0.00 1.00 0.00 0.00 33.01 31.42 1ehx s GLN 2 CO 0.00 0.32 0.45 -0.25 -2.12 0.00 0.00 175.29 173.69 1ehx n ASP 3 N -1.27 0.55 -4.93 5.90 9.92 -1.26 -5.04 116.55 120.42 1ehx n ASP 3 Ca -0.06 -2.67 -0.25 0.00 -0.53 0.00 0.00 54.79 51.28 1ehx n ASP 3 Cb 0.56 -0.62 0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1ehx n ASP 3 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1ehx s PRO 4 N -0.73 2.81 0.47 -0.24 0.04 -1.26 -4.74 135.00 131.35 1ehx s PRO 4 Ca 0.33 -0.21 0.03 0.00 0.04 0.00 0.00 61.00 61.19 1ehx s PRO 4 Cb 0.07 -2.33 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1ehx s PRO 4 CO -0.15 -0.69 0.03 0.99 0.04 0.00 0.00 177.00 177.21 1ehx s THR 5 N -2.92 1.23 -0.22 1.26 2.01 -0.64 -4.95 115.64 111.42 1ehx s THR 5 Ca 0.54 -2.00 -0.28 0.00 0.31 0.00 0.00 61.69 60.26 1ehx s THR 5 Cb -0.10 -2.38 0.13 0.00 0.01 0.00 0.00 72.50 70.16 1ehx s THR 5 CO 0.43 0.00 1.06 -0.51 -0.69 0.00 0.00 174.62 174.91 1ehx s ILE 6 N -2.92 0.00 0.00 1.82 1.10 -1.26 -2.35 121.20 117.59 1ehx s ILE 6 Ca 0.16 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.30 1ehx s ILE 6 Cb 0.04 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.65 1ehx s ILE 6 CO 0.08 0.00 0.00 -0.46 -2.11 0.00 0.00 174.94 172.45 1ehx n ASN 7 N 1.22 0.00 -1.56 4.50 2.04 -1.24 -4.92 115.26 115.30 1ehx n ASN 7 Ca -0.10 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.04 1ehx n ASN 7 Cb 0.57 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.82 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 1.40 0.00 -0.53 -0.04 -1.26 -5.05 135.00 129.52 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 -2.37 -0.04 0.00 0.00 175.50 173.09 1ehx n THR 9 N -0.81 0.00 -3.60 0.52 5.66 -1.26 -4.69 114.28 110.11 1ehx n THR 9 Ca 0.00 -0.02 -0.09 0.00 -3.05 0.00 0.00 64.05 60.90 1ehx n THR 9 Cb 0.00 0.33 -0.05 0.00 -1.55 0.00 0.00 70.33 69.06 1ehx n THR 9 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1ehx s SER 10 N -1.16 -0.31 0.27 1.09 0.15 -1.26 -0.94 113.70 111.53 1ehx s SER 10 Ca 0.00 0.38 -0.08 0.00 0.70 0.00 0.00 55.95 56.96 1ehx s SER 10 Cb 0.00 0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 64.61 1ehx s SER 10 CO 0.00 -0.26 0.41 0.27 1.20 0.00 0.00 173.24 174.87 1ehx s ILE 11 N -0.90 0.00 -0.01 6.45 -4.36 0.74 -4.90 121.20 118.23 1ehx s ILE 11 Ca 0.01 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 58.84 1ehx s ILE 11 Cb -0.01 -2.39 -0.00 0.00 1.25 0.00 0.00 42.46 41.31 1ehx s ILE 11 CO -0.02 0.00 -0.04 -0.44 0.24 0.00 0.00 174.94 174.69 1ehx s SER 12 N -3.11 0.50 -0.18 4.36 0.01 -1.26 -0.98 113.70 113.04 1ehx s SER 12 Ca 0.28 -0.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.16 1ehx s SER 12 Cb 0.01 -0.08 0.14 0.00 0.21 0.00 0.00 66.02 66.30 1ehx s SER 12 CO 0.13 0.04 1.05 0.00 0.41 0.00 0.00 173.24 174.86 1ehx s ALA 13 N -0.01 -1.96 0.54 1.44 0.00 -0.25 -4.91 121.76 116.62 1ehx s ALA 13 Ca 0.01 1.64 -0.19 0.00 0.00 0.00 0.00 51.96 53.41 1ehx s ALA 13 Cb -0.03 -0.85 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 1ehx s ALA 13 CO -0.00 -0.30 1.12 0.21 0.00 0.00 0.00 175.76 176.79 1ehx s LYS 14 N -1.04 3.39 -0.40 0.00 2.20 -1.26 -1.33 119.74 121.30 1ehx s LYS 14 Ca -0.00 1.59 -0.27 0.00 -0.36 0.00 0.00 55.97 56.93 1ehx s LYS 14 Cb -0.01 -2.01 -0.06 0.00 -1.51 0.00 0.00 37.83 34.25 1ehx s LYS 14 CO 0.00 -0.82 2.27 0.00 -0.36 0.00 0.00 175.35 176.44 1ehx s ALA 15 N -1.79 2.10 0.00 3.13 0.00 0.65 -0.50 121.76 125.35 1ehx s ALA 15 Ca 0.72 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1ehx s ALA 15 Cb -0.23 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.65 1ehx s ALA 15 CO 0.26 -3.77 0.00 0.41 0.00 0.00 0.00 175.76 172.67 1ehx n GLY 16 N 5.87 2.97 0.09 0.00 0.00 -1.26 -4.68 105.19 108.19 1ehx n GLY 16 Ca 0.32 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.10 -4.39 1.61 3.41 0.35 -4.32 113.62 110.37 1ehx n SER 17 Ca 0.00 -1.04 -0.45 0.00 -0.26 0.00 0.00 58.87 57.12 1ehx n SER 17 Cb 0.00 -0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.82 3.91 0.20 7.33 0.08 -1.25 -4.82 117.98 121.62 1ehx s PHE 18 Ca 0.00 -2.42 -0.30 0.00 0.12 0.00 0.00 56.93 54.33 1ehx s PHE 18 Cb 0.00 -4.05 -0.09 0.00 -0.57 0.00 0.00 43.02 38.31 1ehx s PHE 18 CO 0.00 -1.15 1.31 0.00 -0.10 0.00 0.00 175.22 175.28 1ehx s ALA 19 N 0.05 3.53 0.12 5.36 0.00 -1.26 -3.77 121.76 125.79 1ehx s ALA 19 Ca 0.36 1.12 -0.23 0.00 0.00 0.00 0.00 51.96 53.21 1ehx s ALA 19 Cb -0.07 -3.48 -0.13 0.00 0.00 0.00 0.00 23.12 19.44 1ehx s ALA 19 CO -0.05 -0.54 0.47 -3.47 0.00 0.00 0.00 175.76 172.17 1ehx n ASP 20 N 2.58 -0.74 -3.79 0.00 -0.08 -1.26 -4.71 116.55 108.55 1ehx n ASP 20 Ca 0.06 0.85 -0.13 0.00 -1.51 0.00 0.00 54.79 54.06 1ehx n ASP 20 Cb 0.43 -0.70 -0.09 0.00 2.34 0.00 0.00 41.12 43.09 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 -0.59 0.06 0.48 5.18 2.01 -0.38 -4.91 115.64 117.49 1ehx s THR 21 Ca 0.52 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 62.07 1ehx s THR 21 Cb -0.74 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.24 1ehx s THR 21 CO 0.42 -0.27 0.66 -1.59 -0.69 0.00 0.00 174.62 173.15 1ehx s LYS 22 N -1.22 2.70 0.06 4.92 0.00 -1.26 0.11 119.74 125.05 1ehx s LYS 22 Ca -0.13 -1.03 -0.13 0.00 0.00 0.00 0.00 55.97 54.69 1ehx s LYS 22 Cb -0.06 -2.64 0.02 0.00 0.00 0.00 0.00 37.83 35.15 1ehx s LYS 22 CO 0.03 -0.47 0.28 0.42 0.00 0.00 0.00 175.35 175.61 1ehx s ILE 23 N -2.54 0.09 -0.30 3.79 1.01 0.74 -4.86 121.20 119.14 1ehx s ILE 23 Ca 0.56 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1ehx s ILE 23 Cb -0.10 -1.01 0.09 0.00 0.01 0.00 0.00 42.46 41.44 1ehx s ILE 23 CO 0.35 -0.43 0.01 -0.89 0.00 0.00 0.00 174.94 173.98 1ehx s THR 24 N -2.85 1.91 -0.47 2.92 2.01 -1.26 -1.24 115.64 116.67 1ehx s THR 24 Ca -0.03 -1.86 -0.18 0.00 0.31 0.00 0.00 61.69 59.93 1ehx s THR 24 Cb 0.00 -2.29 0.05 0.00 0.01 0.00 0.00 72.50 70.26 1ehx s THR 24 CO -0.05 -0.41 0.52 -0.76 -0.69 0.00 0.00 174.62 173.23 1ehx s LEU 25 N 1.14 5.02 -0.26 4.42 1.43 0.32 -3.59 118.68 127.15 1ehx s LEU 25 Ca 0.04 -0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 51.98 1ehx s LEU 25 Cb -0.19 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 1ehx s LEU 25 CO -0.10 -0.73 1.66 -0.89 0.23 0.00 0.00 176.35 176.52 1ehx s THR 26 N 2.29 3.64 -2.44 5.49 2.01 -0.99 -4.18 115.64 121.46 1ehx s THR 26 Ca 0.13 0.69 0.23 0.00 0.31 0.00 0.00 61.69 63.05 1ehx s THR 26 Cb -0.19 -3.72 0.45 0.00 0.01 0.00 0.00 72.50 69.05 1ehx s THR 26 CO 0.12 -0.36 1.55 -0.81 -0.69 0.00 0.00 174.62 174.43 1ehx n PRO 27 N 7.92 1.88 -0.76 4.92 -0.04 -1.26 -1.62 135.00 146.05 1ehx n PRO 27 Ca 0.20 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1ehx n PRO 27 Cb 0.46 -1.44 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 0.55 -0.67 0.00 3.54 5.15 -1.26 0.33 115.26 122.91 1ehx n ASN 28 Ca 0.17 -0.43 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 1ehx n ASN 28 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 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 2.82 2.63 3.99 8.20 0.00 -1.26 -4.69 105.19 116.87 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 -0.90 5.52 0.30 1.61 0.01 1.01 -4.91 114.94 117.58 1ehx s ASN 30 Ca 0.00 -0.50 0.04 0.00 -0.71 0.00 0.00 52.86 51.69 1ehx s ASN 30 Cb 0.00 -0.59 -0.06 0.00 0.41 0.00 0.00 41.25 41.01 1ehx s ASN 30 CO 0.00 -0.78 0.03 0.28 -1.51 0.00 0.00 177.10 175.12 1ehx s THR 31 N -2.39 1.22 -0.10 1.60 -1.32 -1.26 -4.44 115.64 108.95 1ehx s THR 31 Ca 0.54 -2.03 0.03 0.00 -1.21 0.00 0.00 61.69 59.02 1ehx s THR 31 Cb -0.09 -2.64 0.01 0.00 -1.51 0.00 0.00 72.50 68.27 1ehx s THR 31 CO 0.32 -0.12 -0.17 0.12 -2.21 0.00 0.00 174.62 172.56 1ehx s PHE 32 N -3.29 2.05 -0.19 9.09 5.36 -1.26 -4.07 117.98 125.66 1ehx s PHE 32 Ca 0.34 -0.88 0.13 0.00 -0.96 0.00 0.00 56.93 55.55 1ehx s PHE 32 Cb 0.07 -1.43 -0.21 0.00 -0.34 0.00 0.00 43.02 41.11 1ehx s PHE 32 CO 0.13 -0.41 0.01 0.09 -1.46 0.00 0.00 175.22 173.58 1ehx n ASN 33 N 3.89 0.88 0.00 6.13 3.02 -0.18 -5.01 115.26 123.99 1ehx n ASN 33 Ca -0.20 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1ehx n ASN 33 Cb 0.52 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.36 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 1.99 0.96 2.96 7.41 0.00 -1.26 -4.95 105.19 112.30 1ehx n GLY 34 Ca -0.32 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.52 1.87 0.19 -0.61 1.01 -1.26 0.13 121.20 121.01 1ehx s ILE 35 Ca 0.00 -1.90 -0.13 0.00 0.00 0.00 0.00 60.65 58.62 1ehx s ILE 35 Cb 0.00 -2.30 0.10 0.00 0.01 0.00 0.00 42.46 40.27 1ehx s ILE 35 CO 0.00 -0.47 1.85 -1.28 0.00 0.00 0.00 174.94 175.04 1ehx h SER 36 N 7.78 0.68 -0.89 3.58 0.87 -1.93 0.05 113.55 123.69 1ehx h SER 36 Ca -0.10 -0.01 0.26 0.00 -1.23 0.00 0.00 61.79 60.71 1ehx h SER 36 Cb 1.03 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.79 1ehx h SER 36 CO 0.49 0.49 0.81 -0.33 -0.53 0.00 0.00 176.83 177.76 1ehx h GLU 37 N 0.81 0.00 -2.48 2.24 5.08 -1.87 -2.80 114.58 115.56 1ehx h GLU 37 Ca 0.23 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.00 1ehx h GLU 37 Cb -0.08 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.79 1ehx h GLU 37 CO -0.06 0.00 -0.92 -0.48 -1.00 0.00 0.00 179.01 176.56 1ehx s LEU 38 N -7.51 1.42 -0.52 1.33 2.34 -0.02 -4.85 118.68 110.87 1ehx s LEU 38 Ca -0.04 -2.80 -0.05 0.00 0.06 0.00 0.00 54.13 51.31 1ehx s LEU 38 Cb 0.18 -0.48 -0.18 0.00 -0.56 0.00 0.00 46.19 45.15 1ehx s LEU 38 CO 0.63 -0.22 1.16 0.00 -1.06 0.00 0.00 176.35 176.87 1ehx n GLN 39 N 3.22 0.00 0.00 1.48 10.64 -1.06 -4.46 117.38 127.20 1ehx n GLN 39 Ca 0.23 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 1ehx n GLN 39 Cb 0.44 -0.56 0.00 0.00 -0.86 0.00 0.00 30.24 29.25 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 3.06 0.00 0.26 2.61 3.41 -1.20 0.68 113.62 122.44 1ehx n SER 40 Ca 0.35 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 59.12 1ehx n SER 40 Cb 0.09 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 64.78 1ehx n SER 40 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ehx h SER 41 N 0.00 0.00 0.71 4.04 0.02 -1.93 0.73 113.55 117.12 1ehx h SER 41 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1ehx h SER 41 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1ehx h SER 41 CO 0.00 0.00 -0.31 0.06 -1.14 0.00 0.00 176.83 175.44 1ehx h GLN 42 N 0.00 0.00 0.00 3.45 -0.00 0.02 -3.45 115.11 115.13 1ehx h GLN 42 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1ehx h GLN 42 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.40 1ehx h GLN 42 CO -0.00 0.31 0.00 2.48 -0.00 0.00 0.00 178.83 181.62 1ehx n TYR 43 N -3.60 0.00 -3.51 0.06 0.18 0.26 -3.06 117.16 107.48 1ehx n TYR 43 Ca -0.01 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.48 1ehx n TYR 43 Cb 0.44 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.27 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 -0.94 0.22 1.02 -3.48 2.01 0.20 -4.88 115.64 109.79 1ehx s THR 44 Ca 0.00 -1.53 -0.12 0.00 0.31 0.00 0.00 61.69 60.34 1ehx s THR 44 Cb 0.00 -1.18 0.20 0.00 0.01 0.00 0.00 72.50 71.53 1ehx s THR 44 CO 0.00 -0.91 1.08 -1.59 -0.69 0.00 0.00 174.62 172.52 1ehx s LYS 45 N 1.29 0.26 -0.47 4.92 -2.85 -1.26 -1.30 119.74 120.32 1ehx s LYS 45 Ca 0.15 0.59 0.03 0.00 -1.00 0.00 0.00 55.97 55.75 1ehx s LYS 45 Cb -0.21 -1.71 0.20 0.00 -2.06 0.00 0.00 37.83 34.05 1ehx s LYS 45 CO -0.09 -2.87 0.83 0.41 0.10 0.00 0.00 175.35 173.74 1ehx n GLY 46 N -0.79 -0.85 0.00 0.59 0.00 0.43 -4.83 105.19 99.74 1ehx n GLY 46 Ca 0.05 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 2.80 0.00 0.00 2.61 -1.04 -1.26 -0.52 114.28 116.86 1ehx n THR 47 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1ehx n THR 47 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 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 0.85 0.00 -4.02 8.00 5.03 -1.26 -4.97 115.26 118.89 1ehx n ASN 48 Ca 0.00 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.35 1ehx n ASN 48 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.68 1ehx n ASN 48 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1ehx s GLU 49 N -0.26 1.17 -0.22 3.52 2.02 0.32 0.12 118.70 125.37 1ehx s GLU 49 Ca 0.00 -1.27 -0.27 0.00 0.02 0.00 0.00 54.97 53.45 1ehx s GLU 49 Cb 0.00 0.36 0.09 0.00 0.10 0.00 0.00 34.13 34.67 1ehx s GLU 49 CO 0.00 -0.42 0.80 0.54 0.02 0.00 0.00 175.26 176.20 1ehx s VAL 50 N -4.01 0.00 -0.09 2.63 0.11 -0.37 0.16 120.40 118.83 1ehx s VAL 50 Ca 0.21 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.28 1ehx s VAL 50 Cb 0.04 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.90 1ehx s VAL 50 CO 0.02 0.00 -0.14 0.28 -3.33 0.00 0.00 175.10 171.93 1ehx s THR 51 N -0.11 1.37 0.27 5.04 -1.32 -0.42 0.26 115.64 120.73 1ehx s THR 51 Ca -0.02 -0.59 -0.16 0.00 -1.21 0.00 0.00 61.69 59.71 1ehx s THR 51 Cb -0.04 -1.26 -0.08 0.00 -1.51 0.00 0.00 72.50 69.61 1ehx s THR 51 CO 0.01 0.41 0.71 -1.48 -2.21 0.00 0.00 174.62 172.06 1ehx s LEU 52 N 0.86 4.19 -0.21 9.08 -0.00 0.31 0.63 118.68 133.54 1ehx s LEU 52 Ca -0.10 1.29 -0.06 0.00 -0.00 0.00 0.00 54.13 55.26 1ehx s LEU 52 Cb -0.15 -3.81 -0.03 0.00 -0.00 0.00 0.00 46.19 42.19 1ehx s LEU 52 CO 0.01 -0.09 0.03 -0.76 -0.00 0.00 0.00 176.35 175.55 1ehx s LEU 53 N -2.53 3.42 0.00 1.48 1.43 -1.17 -1.25 118.68 120.06 1ehx s LEU 53 Ca 0.48 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1ehx s LEU 53 Cb -0.13 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1ehx s LEU 53 CO 0.19 0.05 0.63 0.00 0.23 0.00 0.00 176.35 177.46 1ehx n ALA 54 N 4.34 0.34 -0.08 4.21 0.00 -1.25 -0.82 120.51 127.26 1ehx n ALA 54 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 1ehx n ALA 54 Cb 0.52 -0.33 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 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 0.67 0.01 0.00 0.02 -1.88 0.79 113.55 113.16 1ehx h SER 55 Ca 0.00 -0.50 -0.09 0.00 -0.84 0.00 0.00 61.79 60.36 1ehx h SER 55 Cb 0.63 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1ehx h SER 55 CO 0.00 1.04 -0.49 0.22 -1.14 0.00 0.00 176.83 176.46 1ehx h TYR 56 N 0.32 0.05 -0.97 3.45 3.20 -1.20 -2.95 116.97 118.86 1ehx h TYR 56 Ca 0.03 -0.04 0.13 0.00 3.14 0.00 0.00 58.73 61.99 1ehx h TYR 56 Cb 0.88 -0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.06 1ehx h TYR 56 CO 0.08 1.19 0.62 1.37 -1.64 0.00 0.00 178.16 179.78 1ehx h LEU 57 N -0.93 0.85 -1.32 2.82 -0.00 -1.65 0.65 115.31 115.73 1ehx h LEU 57 Ca -0.13 0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.74 1ehx h LEU 57 Cb 1.16 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.69 1ehx h LEU 57 CO -0.05 0.44 -0.24 -1.13 -0.00 0.00 0.00 178.44 177.46 1ehx h ASN 58 N 0.90 0.16 0.94 0.17 -1.24 -0.93 -2.20 115.58 113.38 1ehx h ASN 58 Ca 0.49 -0.04 -0.09 0.00 0.71 0.00 0.00 56.30 57.36 1ehx h ASN 58 Cb 0.57 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 1ehx h ASN 58 CO -0.26 0.40 -0.45 0.74 -1.29 0.00 0.00 177.43 176.58 1ehx h THR 59 N 0.15 0.97 -0.73 -3.57 2.02 0.38 -3.34 112.91 108.79 1ehx h THR 59 Ca 0.03 -1.79 -0.60 0.00 0.77 0.00 0.00 66.41 64.82 1ehx h THR 59 Cb 0.51 2.08 0.03 0.00 -1.74 0.00 0.00 68.15 69.02 1ehx h THR 59 CO 0.04 0.44 0.16 0.18 0.37 0.00 0.00 175.52 176.71 1ehx n LEU 60 N -3.50 0.23 0.00 2.58 4.77 0.04 -4.88 117.00 116.24 1ehx n LEU 60 Ca 0.00 0.86 -0.08 0.00 -0.03 0.00 0.00 56.01 56.76 1ehx n LEU 60 Cb 0.58 -0.67 0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1ehx n LEU 60 CO 0.38 -1.20 0.09 -2.65 -1.33 0.00 0.00 177.39 172.68 1ehx n PRO 61 N 1.58 -1.44 0.00 3.23 -0.02 -1.26 -4.80 135.00 132.29 1ehx n PRO 61 Ca 0.17 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1ehx n PRO 61 Cb 0.03 -0.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 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 -1.96 -0.02 -0.93 -0.52 4.71 -1.26 -4.23 120.64 116.43 1ehx n GLU 62 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 1ehx n GLU 62 Cb 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.58 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 -1.43 -1.08 -4.75 1.62 2.85 -1.18 -4.67 115.26 106.61 1ehx n ASN 63 Ca 0.00 -0.60 -0.24 0.00 -0.11 0.00 0.00 54.58 53.63 1ehx n ASN 63 Cb 0.00 -0.09 -0.07 0.00 1.24 0.00 0.00 39.78 40.86 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 2.34 2.36 -0.59 -0.44 -4.23 0.81 -4.93 115.64 110.96 1ehx s THR 64 Ca 0.00 -1.66 0.06 0.00 -1.18 0.00 0.00 61.69 58.91 1ehx s THR 64 Cb 0.00 -3.00 0.22 0.00 1.34 0.00 0.00 72.50 71.06 1ehx s THR 64 CO 0.00 -0.00 0.59 0.41 -0.54 0.00 0.00 174.62 175.08 1ehx n THR 65 N -1.27 1.21 -0.95 3.99 -1.04 -1.25 0.18 114.28 115.14 1ehx n THR 65 Ca -0.01 -4.70 -0.36 0.00 -2.04 0.00 0.00 64.05 56.94 1ehx n THR 65 Cb 0.64 -2.05 0.06 0.00 -1.82 0.00 0.00 70.33 67.16 1ehx n THR 65 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ehx n LYS 66 N 1.48 -0.12 -3.60 -2.82 3.00 0.56 -4.42 118.16 112.25 1ehx n LYS 66 Ca 0.26 -0.03 -0.23 0.00 -0.00 0.00 0.00 58.31 58.31 1ehx n LYS 66 Cb 0.42 -1.18 -0.16 0.00 0.00 0.00 0.00 35.03 34.11 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 -2.08 -0.16 -1.28 3.15 2.01 -1.26 0.85 115.64 116.87 1ehx s THR 67 Ca 0.43 -0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.29 1ehx s THR 67 Cb -0.14 -0.51 0.15 0.00 0.01 0.00 0.00 72.50 72.01 1ehx s THR 67 CO 0.77 -0.16 1.75 0.18 -0.69 0.00 0.00 174.62 176.47 1ehx n LEU 68 N 5.30 6.08 -4.39 4.42 4.32 0.16 -4.44 117.00 128.44 1ehx n LEU 68 Ca -0.06 -4.49 -0.45 0.00 -0.02 0.00 0.00 56.01 50.99 1ehx n LEU 68 Cb 0.49 -1.56 -0.03 0.00 -1.62 0.00 0.00 43.42 40.70 1ehx n LEU 68 CO 0.09 1.06 0.61 -0.89 -1.22 0.00 0.00 177.39 177.03 1ehx s THR 69 N 1.29 5.00 -0.34 -5.08 2.01 -1.26 -0.04 115.64 117.21 1ehx s THR 69 Ca 0.42 -1.58 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 1ehx s THR 69 Cb 0.06 -4.58 -0.01 0.00 0.01 0.00 0.00 72.50 67.97 1ehx s THR 69 CO 0.00 -1.23 1.61 -0.36 -0.69 0.00 0.00 174.62 173.95 1ehx s PHE 70 N 2.02 2.10 -0.75 4.92 0.08 -1.18 -4.23 117.98 120.95 1ehx s PHE 70 Ca 0.20 0.63 -0.26 0.00 0.12 0.00 0.00 56.93 57.63 1ehx s PHE 70 Cb -0.14 -4.17 -0.05 0.00 -0.57 0.00 0.00 43.02 38.10 1ehx s PHE 70 CO -0.03 -2.56 1.99 0.16 -0.10 0.00 0.00 175.22 174.68 1ehx s ASP 71 N 4.90 5.02 -0.17 1.36 -4.77 0.12 -4.39 116.67 118.74 1ehx s ASP 71 Ca 0.71 -0.08 0.11 0.00 -3.30 0.00 0.00 52.55 49.99 1ehx s ASP 71 Cb -0.19 -2.54 0.62 0.00 -1.09 0.00 0.00 42.92 39.71 1ehx s ASP 71 CO 0.32 -2.72 1.45 0.49 0.70 0.00 0.00 175.17 175.41 1ehx n PHE 72 N 14.09 1.52 -0.51 2.11 3.01 -1.26 -1.01 117.46 135.41 1ehx n PHE 72 Ca 0.33 -0.54 0.00 0.00 1.01 0.00 0.00 57.45 58.25 1ehx n PHE 72 Cb 0.49 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 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 0.55 1.17 2.44 1.37 0.00 -1.26 -4.31 105.19 105.14 1ehx n GLY 73 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 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 2.01 -0.43 1.61 0.24 -1.26 -4.91 118.33 113.59 1ehx n VAL 74 Ca 0.00 -4.15 0.34 0.00 -2.04 0.00 0.00 64.34 58.49 1ehx n VAL 74 Cb 0.00 -0.55 0.53 0.00 -1.47 0.00 0.00 33.84 32.35 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 -0.47 -0.64 0.19 7.63 0.00 -1.26 -0.87 105.19 109.76 1ehx n GLY 75 Ca 0.31 0.49 -0.06 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.63 2.61 2.02 -2.00 -2.32 112.91 112.58 1ehx h THR 76 Ca 0.63 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 67.61 1ehx h THR 76 Cb 2.37 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.66 1ehx h THR 76 CO -0.12 0.00 0.21 2.29 0.37 0.00 0.00 175.52 178.28 1ehx n LYS 77 N -3.76 3.22 -1.64 6.66 2.85 -0.05 -5.02 118.16 120.42 1ehx n LYS 77 Ca -0.02 -3.07 -0.43 0.00 -1.05 0.00 0.00 58.31 53.74 1ehx n LYS 77 Cb 0.15 -2.10 -0.01 0.00 -0.65 0.00 0.00 35.03 32.42 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 -0.43 1.90 -4.56 -5.58 2.85 -0.42 -4.87 115.26 104.14 1ehx n ASN 78 Ca 0.39 1.16 -0.40 0.00 -0.11 0.00 0.00 54.58 55.62 1ehx n ASN 78 Cb 1.29 -1.38 -0.03 0.00 1.24 0.00 0.00 39.78 40.90 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 -1.78 3.39 0.10 1.20 0.04 -1.26 -4.96 135.00 131.74 1ehx s PRO 79 Ca 0.58 -0.83 -0.07 0.00 0.04 0.00 0.00 61.00 60.72 1ehx s PRO 79 Cb -0.62 -5.08 -0.06 0.00 0.04 0.00 0.00 34.50 28.78 1ehx s PRO 79 CO 0.60 -2.32 0.37 -1.59 0.04 0.00 0.00 177.00 174.11 1ehx s LYS 80 N 5.37 3.67 -0.45 4.56 0.00 -1.25 -3.09 119.74 128.55 1ehx s LYS 80 Ca 0.47 0.02 0.02 0.00 0.00 0.00 0.00 55.97 56.47 1ehx s LYS 80 Cb -0.02 -2.93 0.14 0.00 0.00 0.00 0.00 37.83 35.02 1ehx s LYS 80 CO -0.04 0.52 0.26 -0.51 0.00 0.00 0.00 175.35 175.58 1ehx s LEU 81 N -2.28 2.63 -0.08 2.77 1.43 0.94 -4.12 118.68 119.98 1ehx s LEU 81 Ca 0.37 -2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 50.48 1ehx s LEU 81 Cb -0.13 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 1ehx s LEU 81 CO 0.21 -0.25 1.50 -0.89 0.23 0.00 0.00 176.35 177.15 1ehx s THR 82 N 0.28 3.80 -0.29 5.49 2.01 -0.12 0.36 115.64 127.17 1ehx s THR 82 Ca 0.19 1.00 -0.08 0.00 0.31 0.00 0.00 61.69 63.12 1ehx s THR 82 Cb -0.22 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.65 1ehx s THR 82 CO -0.02 -0.08 0.10 -0.63 -0.69 0.00 0.00 174.62 173.30 1ehx s ILE 83 N 3.65 4.18 -0.83 1.82 1.09 0.25 -0.19 121.20 131.17 1ehx s ILE 83 Ca 0.67 -0.54 -0.23 0.00 -1.10 0.00 0.00 60.65 59.44 1ehx s ILE 83 Cb -0.30 -3.12 0.07 0.00 -1.06 0.00 0.00 42.46 38.05 1ehx s ILE 83 CO 0.25 0.12 1.21 -0.89 -0.10 0.00 0.00 174.94 175.52 1ehx s THR 84 N 1.55 4.13 -0.36 2.92 2.01 -0.15 0.21 115.64 125.94 1ehx s THR 84 Ca 0.04 -0.48 -0.27 0.00 0.31 0.00 0.00 61.69 61.29 1ehx s THR 84 Cb -0.17 -4.86 0.02 0.00 0.01 0.00 0.00 72.50 67.49 1ehx s THR 84 CO 0.04 -1.70 1.01 0.54 -0.69 0.00 0.00 174.62 173.81 1ehx s VAL 85 N 4.51 4.51 0.42 3.82 0.11 0.47 -1.08 120.40 133.16 1ehx s VAL 85 Ca 0.34 1.43 -0.12 0.00 -2.93 0.00 0.00 61.98 60.70 1ehx s VAL 85 Cb -0.08 -4.39 -0.07 0.00 -1.53 0.00 0.00 36.38 30.31 1ehx s VAL 85 CO 0.03 -0.56 0.80 -0.76 -3.33 0.00 0.00 175.10 171.28 1ehx s LEU 86 N 3.65 3.81 0.10 2.54 1.43 -0.44 -0.14 118.68 129.63 1ehx s LEU 86 Ca 0.42 1.21 -0.31 0.00 -1.03 0.00 0.00 54.13 54.42 1ehx s LEU 86 Cb -0.12 -4.10 -0.08 0.00 0.03 0.00 0.00 46.19 41.93 1ehx s LEU 86 CO 0.19 -0.42 1.38 -2.16 0.23 0.00 0.00 176.35 175.57 1ehx s PRO 87 N -3.85 4.32 0.23 1.29 0.04 -1.26 -0.26 135.00 135.51 1ehx s PRO 87 Ca 0.53 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.34 1ehx s PRO 87 Cb -0.10 -3.29 -0.16 0.00 0.04 0.00 0.00 34.50 30.99 1ehx s PRO 87 CO 0.31 -0.44 0.62 1.63 0.04 0.00 0.00 177.00 179.16 1ehx n LYS 88 N 4.10 0.31 -3.53 4.56 4.76 -1.26 -4.83 118.16 122.26 1ehx n LYS 88 Ca 0.12 0.11 -0.15 0.00 -2.87 0.00 0.00 58.31 55.51 1ehx n LYS 88 Cb 0.43 -1.19 -0.05 0.00 -1.84 0.00 0.00 35.03 32.37 1ehx n LYS 88 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ehx s ASP 89 N -0.90 -0.54 0.33 4.39 -1.08 -1.26 -5.10 116.67 112.51 1ehx s ASP 89 Ca 0.63 0.34 0.08 0.00 -0.52 0.00 0.00 52.55 53.08 1ehx s ASP 89 Cb -0.87 0.52 -0.04 0.00 -1.46 0.00 0.00 42.92 41.07 1ehx s ASP 89 CO 0.57 -0.72 0.16 0.27 0.52 0.00 0.00 175.17 175.97 1ehx s ILE 90 N -2.19 3.24 0.74 4.11 -4.36 -1.26 -5.12 121.20 116.35 1ehx s ILE 90 Ca -0.06 -1.64 -0.12 0.00 -0.26 0.00 0.00 60.65 58.57 1ehx s ILE 90 Cb -0.01 -3.03 0.04 0.00 1.25 0.00 0.00 42.46 40.72 1ehx s ILE 90 CO 0.01 -0.21 1.10 -2.16 0.24 0.00 0.00 174.94 173.91 1ehx s PRO 91 N -3.86 2.43 0.00 0.37 0.04 -1.26 -4.65 135.00 128.08 1ehx s PRO 91 Ca 0.37 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1ehx s PRO 91 Cb -0.04 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1ehx s PRO 91 CO 0.23 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.16 1ehx n GLY 92 N -1.00 1.70 0.00 0.56 0.00 -1.26 -5.14 105.19 100.05 1ehx n GLY 92 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ehx n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ehx n LEU 93 N 0.00 0.00 0.00 0.99 4.32 -1.26 -5.33 117.00 115.72 1ehx n LEU 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ehx n LEU 93 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1ehx n LEU 93 CO 0.00 0.00 0.23 1.21 -1.22 0.00 0.00 177.39 177.61