#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 2.80 -0.39 2.12 -1.52 -1.26 -5.08 119.66 116.33 1ehx s GLN 2 Ca 0.00 -1.23 0.02 0.00 -1.95 0.00 0.00 55.36 52.21 1ehx s GLN 2 Cb 0.00 -2.53 0.16 0.00 -0.22 0.00 0.00 33.01 30.42 1ehx s GLN 2 CO 0.00 0.14 0.29 -0.51 -0.25 0.00 0.00 175.29 174.96 1ehx s ASP 3 N -3.99 2.11 0.36 5.90 1.01 -1.26 -4.91 116.67 115.89 1ehx s ASP 3 Ca 0.40 -2.70 -0.26 0.00 0.71 0.00 0.00 52.55 50.70 1ehx s ASP 3 Cb -0.06 -0.43 -0.09 0.00 1.01 0.00 0.00 42.92 43.34 1ehx s ASP 3 CO 0.27 -0.23 1.11 -2.16 0.21 0.00 0.00 175.17 174.37 1ehx s PRO 4 N 0.48 4.28 -0.13 8.23 0.04 -1.26 -4.77 135.00 141.87 1ehx s PRO 4 Ca 0.26 1.73 -0.00 0.00 0.04 0.00 0.00 61.00 63.03 1ehx s PRO 4 Cb -0.08 -2.80 0.03 0.00 0.04 0.00 0.00 34.50 31.69 1ehx s PRO 4 CO -0.11 -0.09 -0.08 0.99 0.04 0.00 0.00 177.00 177.75 1ehx s THR 5 N -1.41 1.09 0.02 1.26 2.01 -0.66 -4.85 115.64 113.09 1ehx s THR 5 Ca 0.53 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 1ehx s THR 5 Cb -0.28 -1.13 0.00 0.00 0.01 0.00 0.00 72.50 71.10 1ehx s THR 5 CO 0.36 0.33 0.03 2.30 -0.69 0.00 0.00 174.62 176.95 1ehx n ILE 6 N 4.92 0.00 -0.99 1.82 -5.35 -1.25 0.29 119.36 118.80 1ehx n ILE 6 Ca -0.13 -0.08 -0.38 0.00 -0.27 0.00 0.00 62.75 61.89 1ehx n ILE 6 Cb 0.50 0.05 0.03 0.00 -1.74 0.00 0.00 39.64 38.48 1ehx n ILE 6 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1ehx n ASN 7 N -1.82 -3.67 -3.24 7.28 0.23 -1.23 -4.95 115.26 107.87 1ehx n ASN 7 Ca -0.00 0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 1ehx n ASN 7 Cb 0.03 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.17 1ehx n ASN 7 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1ehx n PRO 8 N 2.48 2.20 0.00 -0.53 -0.02 -1.26 -4.99 135.00 132.89 1ehx n PRO 8 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1ehx n PRO 8 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.19 1ehx n PRO 8 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ehx n THR 9 N -0.05 0.00 -3.77 3.45 -1.04 -1.26 -4.57 114.28 107.03 1ehx n THR 9 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1ehx n THR 9 Cb 0.00 0.97 -0.14 0.00 -1.82 0.00 0.00 70.33 69.34 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 -0.10 -0.16 8.00 1.04 -1.26 -0.18 113.70 121.04 1ehx s SER 10 Ca 0.00 0.27 -0.29 0.00 0.48 0.00 0.00 55.95 56.41 1ehx s SER 10 Cb 0.00 0.18 0.09 0.00 0.10 0.00 0.00 66.02 66.40 1ehx s SER 10 CO 0.00 -0.12 0.82 -0.51 0.98 0.00 0.00 173.24 174.41 1ehx s ILE 11 N 0.92 0.00 -0.06 -1.02 2.07 -0.25 -4.91 121.20 117.95 1ehx s ILE 11 Ca -0.07 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.13 1ehx s ILE 11 Cb -0.09 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.52 1ehx s ILE 11 CO -0.04 0.00 0.14 -0.94 -1.91 0.00 0.00 174.94 172.19 1ehx s SER 12 N -0.62 -0.12 -0.09 4.50 1.04 -1.26 -1.20 113.70 115.94 1ehx s SER 12 Ca -0.04 0.28 -0.32 0.00 0.48 0.00 0.00 55.95 56.35 1ehx s SER 12 Cb -0.02 0.23 0.12 0.00 0.10 0.00 0.00 66.02 66.45 1ehx s SER 12 CO 0.03 -0.10 1.07 0.00 0.98 0.00 0.00 173.24 175.23 1ehx s ALA 13 N 0.65 -1.96 0.59 5.32 0.00 -0.52 -4.95 121.76 120.88 1ehx s ALA 13 Ca -0.05 1.24 -0.18 0.00 0.00 0.00 0.00 51.96 52.98 1ehx s ALA 13 Cb -0.06 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1ehx s ALA 13 CO -0.03 -0.68 1.11 -1.59 0.00 0.00 0.00 175.76 174.57 1ehx s LYS 14 N -2.74 3.16 -0.40 0.00 -2.85 -1.26 -1.29 119.74 114.36 1ehx s LYS 14 Ca 0.08 1.49 -0.27 0.00 -1.00 0.00 0.00 55.97 56.27 1ehx s LYS 14 Cb -0.01 -1.99 -0.06 0.00 -2.06 0.00 0.00 37.83 33.72 1ehx s LYS 14 CO -0.06 -0.98 2.27 0.00 0.10 0.00 0.00 175.35 176.68 1ehx s ALA 15 N -2.04 2.10 0.00 0.59 0.00 0.12 -0.97 121.76 121.55 1ehx s ALA 15 Ca 0.70 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1ehx s ALA 15 Cb -0.22 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.67 1ehx s ALA 15 CO 0.33 -3.78 0.00 0.41 0.00 0.00 0.00 175.76 172.72 1ehx n GLY 16 N 5.87 1.99 0.00 0.00 0.00 -1.26 -4.78 105.19 107.02 1ehx n GLY 16 Ca 0.32 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.31 1.61 3.41 -0.14 -4.06 113.62 110.13 1ehx n SER 17 Ca 0.00 -0.71 -0.45 0.00 -0.26 0.00 0.00 58.87 57.46 1ehx n SER 17 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ehx n SER 17 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ehx n PHE 18 N -0.67 5.05 -1.39 7.33 3.01 -1.26 -4.94 117.46 124.60 1ehx n PHE 18 Ca 0.04 -3.84 -0.32 0.00 1.01 0.00 0.00 57.45 54.34 1ehx n PHE 18 Cb 0.02 -1.66 0.08 0.00 -0.01 0.00 0.00 39.48 37.91 1ehx n PHE 18 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ehx s ALA 19 N -1.41 2.23 -0.34 4.37 0.00 -1.26 -3.38 121.76 121.97 1ehx s ALA 19 Ca 0.31 0.46 -0.32 0.00 0.00 0.00 0.00 51.96 52.41 1ehx s ALA 19 Cb -0.09 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.57 1ehx s ALA 19 CO -0.07 -1.72 1.18 -3.47 0.00 0.00 0.00 175.76 171.68 1ehx n ASP 20 N -3.14 0.77 -4.02 0.00 -0.08 -1.26 -4.55 116.55 104.27 1ehx n ASP 20 Ca 0.10 0.75 -0.29 0.00 -1.51 0.00 0.00 54.79 53.84 1ehx n ASP 20 Cb 0.52 -0.61 -0.17 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 2.50 1.43 0.74 5.18 2.01 -0.52 -4.95 115.64 122.03 1ehx s THR 21 Ca 0.75 -0.57 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 1ehx s THR 21 Cb -1.03 -1.34 0.07 0.00 0.01 0.00 0.00 72.50 70.21 1ehx s THR 21 CO 0.54 0.43 1.07 -1.59 -0.69 0.00 0.00 174.62 174.38 1ehx s LYS 22 N 1.26 2.08 0.16 4.92 -2.85 -1.26 0.10 119.74 124.16 1ehx s LYS 22 Ca -0.01 -0.17 -0.19 0.00 -1.00 0.00 0.00 55.97 54.60 1ehx s LYS 22 Cb -0.14 -2.10 0.05 0.00 -2.06 0.00 0.00 37.83 33.58 1ehx s LYS 22 CO -0.06 -1.38 0.53 0.42 0.10 0.00 0.00 175.35 174.97 1ehx s ILE 23 N -3.36 0.03 -0.25 3.79 1.01 1.29 -4.84 121.20 118.87 1ehx s ILE 23 Ca 0.61 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.81 1ehx s ILE 23 Cb -0.11 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1ehx s ILE 23 CO 0.46 -0.12 -0.01 0.28 0.00 0.00 0.00 174.94 175.55 1ehx s THR 24 N -3.80 3.45 -1.13 2.92 -1.32 -1.26 0.13 115.64 114.63 1ehx s THR 24 Ca 0.04 -0.68 -0.07 0.00 -1.21 0.00 0.00 61.69 59.77 1ehx s THR 24 Cb -0.00 -2.68 0.27 0.00 -1.51 0.00 0.00 72.50 68.58 1ehx s THR 24 CO -0.09 0.26 1.39 0.18 -2.21 0.00 0.00 174.62 174.14 1ehx n LEU 25 N 4.79 6.02 -4.60 9.08 4.77 0.43 -3.49 117.00 134.00 1ehx n LEU 25 Ca -0.17 -5.03 -0.43 0.00 -0.03 0.00 0.00 56.01 50.36 1ehx n LEU 25 Cb 0.49 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.15 1ehx n LEU 25 CO 0.29 1.45 1.49 -0.89 -1.33 0.00 0.00 177.39 178.40 1ehx s THR 26 N -1.53 3.53 -2.35 -5.08 2.01 0.15 -3.00 115.64 109.36 1ehx s THR 26 Ca 0.33 0.53 0.21 0.00 0.31 0.00 0.00 61.69 63.07 1ehx s THR 26 Cb -0.01 -3.74 0.44 0.00 0.01 0.00 0.00 72.50 69.19 1ehx s THR 26 CO 0.02 -0.49 1.46 -0.81 -0.69 0.00 0.00 174.62 174.10 1ehx n PRO 27 N 8.42 2.13 -0.74 4.92 -0.04 -1.26 -1.66 135.00 146.77 1ehx n PRO 27 Ca 0.22 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 1ehx n PRO 27 Cb 0.47 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.92 -0.61 0.00 3.54 5.15 -1.26 0.34 115.26 123.35 1ehx n ASN 28 Ca 0.18 -0.43 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 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 2.76 1.16 3.85 8.20 0.00 -1.26 -4.71 105.19 115.19 1ehx n GLY 29 Ca 0.00 0.00 -0.21 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 -0.87 5.09 0.20 1.61 0.01 1.06 -4.88 114.94 117.16 1ehx s ASN 30 Ca 0.00 -0.65 0.09 0.00 -0.71 0.00 0.00 52.86 51.59 1ehx s ASN 30 Cb 0.00 -0.76 -0.04 0.00 0.41 0.00 0.00 41.25 40.86 1ehx s ASN 30 CO 0.00 -0.48 -0.19 0.28 -1.51 0.00 0.00 177.10 175.20 1ehx s THR 31 N -2.40 2.00 -0.01 1.60 -1.32 -1.26 -4.30 115.64 109.95 1ehx s THR 31 Ca 0.44 -2.07 0.06 0.00 -1.21 0.00 0.00 61.69 58.90 1ehx s THR 31 Cb -0.04 -2.00 -0.03 0.00 -1.51 0.00 0.00 72.50 68.92 1ehx s THR 31 CO 0.27 -0.35 -0.20 0.12 -2.21 0.00 0.00 174.62 172.24 1ehx s PHE 32 N -2.24 2.52 -0.10 9.09 5.36 -1.26 -4.12 117.98 127.22 1ehx s PHE 32 Ca 0.20 -0.29 0.02 0.00 -0.96 0.00 0.00 56.93 55.90 1ehx s PHE 32 Cb -0.05 -1.53 -0.07 0.00 -0.34 0.00 0.00 43.02 41.03 1ehx s PHE 32 CO 0.09 0.13 -0.08 -1.71 -1.46 0.00 0.00 175.22 172.19 1ehx n ASN 33 N 2.11 3.14 0.00 6.13 2.85 0.11 -4.98 115.26 124.62 1ehx n ASN 33 Ca -0.17 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.25 1ehx n ASN 33 Cb 0.52 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.47 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 2.93 4.01 3.30 8.20 0.00 -1.25 -4.95 105.19 117.43 1ehx n GLY 34 Ca -0.18 -1.40 -0.45 0.00 0.00 0.00 0.00 46.02 43.99 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 5.11 0.33 -0.61 1.01 -1.26 -1.29 121.20 122.50 1ehx s ILE 35 Ca 0.00 -1.58 0.02 0.00 0.00 0.00 0.00 60.65 59.09 1ehx s ILE 35 Cb 0.00 -4.28 0.27 0.00 0.01 0.00 0.00 42.46 38.46 1ehx s ILE 35 CO 0.00 -0.87 1.97 0.77 0.00 0.00 0.00 174.94 176.81 1ehx h SER 36 N 8.79 0.81 -1.69 3.58 4.64 -1.95 -0.38 113.55 127.34 1ehx h SER 36 Ca -0.27 -0.01 0.49 0.00 -0.47 0.00 0.00 61.79 61.53 1ehx h SER 36 Cb 1.09 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 62.93 1ehx h SER 36 CO 1.01 0.56 1.22 1.05 -0.87 0.00 0.00 176.83 179.79 1ehx h GLU 37 N 0.94 0.00 -2.23 4.77 9.09 -1.86 -3.08 114.58 122.21 1ehx h GLU 37 Ca 0.30 -0.00 -0.40 0.00 0.05 0.00 0.00 59.36 59.31 1ehx h GLU 37 Cb 0.04 -0.00 -0.34 0.00 -1.65 0.00 0.00 28.75 26.80 1ehx h GLU 37 CO -0.09 0.00 -0.70 -0.48 0.05 0.00 0.00 179.01 177.80 1ehx s LEU 38 N -8.10 0.08 -0.55 3.06 2.34 -0.16 -4.99 118.68 110.37 1ehx s LEU 38 Ca -0.05 -1.27 -0.05 0.00 0.06 0.00 0.00 54.13 52.82 1ehx s LEU 38 Cb 0.26 0.29 -0.19 0.00 -0.56 0.00 0.00 46.19 45.99 1ehx s LEU 38 CO 0.86 -0.35 1.19 0.00 -1.06 0.00 0.00 176.35 177.00 1ehx n GLN 39 N 4.80 0.00 0.00 1.48 6.02 -1.17 -4.47 117.38 124.05 1ehx n GLN 39 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1ehx n GLN 39 Cb 0.44 -0.56 0.00 0.00 1.02 0.00 0.00 30.24 31.14 1ehx n GLN 39 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ehx n SER 40 N 3.06 0.00 0.25 1.08 2.88 -1.23 1.00 113.62 120.66 1ehx n SER 40 Ca 0.37 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 58.06 1ehx n SER 40 Cb 0.08 0.00 0.79 0.00 -0.75 0.00 0.00 64.21 64.33 1ehx n SER 40 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ehx h SER 41 N 0.00 0.00 0.95 -3.46 0.87 -1.94 -0.60 113.55 109.38 1ehx h SER 41 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ehx h SER 41 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ehx h SER 41 CO 0.00 0.00 0.00 0.06 -0.53 0.00 0.00 176.83 176.36 1ehx h GLN 42 N 0.00 0.00 0.00 2.24 -0.00 0.41 -3.45 115.11 114.31 1ehx h GLN 42 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.47 1ehx h GLN 42 Cb 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.65 1ehx h GLN 42 CO 0.00 0.00 -0.13 2.48 -0.00 0.00 0.00 178.83 181.18 1ehx n TYR 43 N -2.57 0.27 -3.90 0.06 0.18 -0.23 -2.77 117.16 108.18 1ehx n TYR 43 Ca 0.02 -0.70 -0.28 0.00 1.88 0.00 0.00 57.90 58.82 1ehx n TYR 43 Cb 0.29 -0.07 -0.12 0.00 -0.38 0.00 0.00 39.34 39.05 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 -1.60 2.86 0.78 -3.48 2.01 0.42 -4.86 115.64 111.77 1ehx s THR 44 Ca 0.01 -4.17 -0.11 0.00 0.31 0.00 0.00 61.69 57.74 1ehx s THR 44 Cb 0.00 -2.89 0.06 0.00 0.01 0.00 0.00 72.50 69.68 1ehx s THR 44 CO 0.01 -0.98 1.09 -0.75 -0.69 0.00 0.00 174.62 173.30 1ehx s LYS 45 N -1.32 2.20 -0.45 4.92 2.36 -1.26 -0.74 119.74 125.45 1ehx s LYS 45 Ca 0.24 1.16 0.05 0.00 -2.55 0.00 0.00 55.97 54.86 1ehx s LYS 45 Cb -0.07 -1.89 0.28 0.00 -1.05 0.00 0.00 37.83 35.10 1ehx s LYS 45 CO -0.15 -1.68 1.05 0.41 1.55 0.00 0.00 175.35 176.54 1ehx n GLY 46 N -1.19 -0.14 2.10 5.54 0.00 0.85 -4.83 105.19 107.51 1ehx n GLY 46 Ca 0.09 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 1.11 0.00 0.00 2.61 5.66 -1.26 -0.82 114.28 121.57 1ehx n THR 47 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1ehx n THR 47 Cb 0.67 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 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 0.52 0.00 -3.82 1.09 5.15 -1.16 -4.94 115.26 112.10 1ehx n ASN 48 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 1ehx n ASN 48 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 1ehx n ASN 48 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ehx s GLU 49 N 0.00 1.08 -0.23 1.20 2.02 -0.00 0.16 118.70 122.93 1ehx s GLU 49 Ca 0.00 -0.95 -0.18 0.00 0.02 0.00 0.00 54.97 53.86 1ehx s GLU 49 Cb 0.00 0.41 0.06 0.00 0.10 0.00 0.00 34.13 34.70 1ehx s GLU 49 CO 0.00 -0.40 0.59 0.54 0.02 0.00 0.00 175.26 176.00 1ehx s VAL 50 N -3.88 -0.00 -0.20 2.63 0.11 0.12 0.29 120.40 119.47 1ehx s VAL 50 Ca 0.09 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1ehx s VAL 50 Cb 0.03 -0.83 0.05 0.00 -1.53 0.00 0.00 36.38 34.10 1ehx s VAL 50 CO -0.07 0.01 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.77 1ehx s THR 51 N 0.78 1.29 0.43 5.04 2.01 0.08 0.39 115.64 125.66 1ehx s THR 51 Ca -0.04 -0.89 -0.24 0.00 0.31 0.00 0.00 61.69 60.83 1ehx s THR 51 Cb -0.05 -1.51 -0.08 0.00 0.01 0.00 0.00 72.50 70.87 1ehx s THR 51 CO -0.06 0.02 1.18 -0.76 -0.69 0.00 0.00 174.62 174.32 1ehx s LEU 52 N 1.53 4.11 -0.32 4.42 2.01 0.28 0.16 118.68 130.87 1ehx s LEU 52 Ca -0.02 2.37 -0.07 0.00 0.01 0.00 0.00 54.13 56.42 1ehx s LEU 52 Cb -0.17 -4.11 0.02 0.00 0.01 0.00 0.00 46.19 41.95 1ehx s LEU 52 CO -0.07 -0.81 0.11 -0.76 1.01 0.00 0.00 176.35 175.82 1ehx s LEU 53 N -2.73 4.17 0.31 1.79 1.43 -1.12 -1.43 118.68 121.09 1ehx s LEU 53 Ca 0.60 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1ehx s LEU 53 Cb -0.31 -1.90 0.17 0.00 0.03 0.00 0.00 46.19 44.18 1ehx s LEU 53 CO 0.38 -0.27 0.87 0.00 0.23 0.00 0.00 176.35 177.55 1ehx n ALA 54 N 4.86 0.15 -0.05 4.21 0.00 -1.22 -0.22 120.51 128.25 1ehx n ALA 54 Ca -0.13 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1ehx n ALA 54 Cb 0.46 -0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 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 0.34 0.21 0.00 0.87 -1.92 -0.26 113.55 112.80 1ehx h SER 55 Ca 0.00 -0.53 -0.01 0.00 -1.23 0.00 0.00 61.79 60.02 1ehx h SER 55 Cb 1.26 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1ehx h SER 55 CO 0.00 0.80 -0.10 0.22 -0.53 0.00 0.00 176.83 177.22 1ehx h TYR 56 N -0.11 -0.26 -0.76 2.24 5.03 -0.89 -2.98 116.97 119.24 1ehx h TYR 56 Ca 0.01 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.42 1ehx h TYR 56 Cb 0.73 0.09 -0.05 0.00 1.55 0.00 0.00 36.73 39.04 1ehx h TYR 56 CO 0.10 0.10 0.50 1.25 -1.32 0.00 0.00 178.16 178.78 1ehx h LEU 57 N -0.94 0.59 -1.63 2.82 5.85 -1.66 0.28 115.31 120.61 1ehx h LEU 57 Ca -0.03 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1ehx h LEU 57 Cb 0.48 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1ehx h LEU 57 CO 0.05 0.34 -0.21 -1.13 -0.34 0.00 0.00 178.44 177.15 1ehx h ASN 58 N 0.65 0.00 1.17 1.25 -1.24 -1.08 -2.09 115.58 114.24 1ehx h ASN 58 Ca 0.36 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.30 1ehx h ASN 58 Cb 0.51 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 1ehx h ASN 58 CO -0.13 0.21 -0.86 0.71 -1.29 0.00 0.00 177.43 176.07 1ehx h THR 59 N 0.00 0.29 -1.89 -3.57 1.35 -0.39 -3.39 112.91 105.31 1ehx h THR 59 Ca -0.00 -1.49 -0.53 0.00 -0.55 0.00 0.00 66.41 63.84 1ehx h THR 59 Cb 0.43 1.89 0.21 0.00 -1.73 0.00 0.00 68.15 68.95 1ehx h THR 59 CO 0.03 0.16 -1.55 0.18 -0.25 0.00 0.00 175.52 174.09 1ehx n LEU 60 N -2.90 -4.99 0.00 3.87 4.77 -0.03 -4.91 117.00 112.81 1ehx n LEU 60 Ca -0.02 0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1ehx n LEU 60 Cb 0.66 -0.74 0.15 0.00 -2.33 0.00 0.00 43.42 41.15 1ehx n LEU 60 CO 0.40 -5.33 0.17 -2.65 -1.33 0.00 0.00 177.39 168.65 1ehx n PRO 61 N 2.06 -2.82 0.00 3.23 -0.02 -1.26 -5.00 135.00 131.19 1ehx n PRO 61 Ca 0.01 -0.72 0.00 0.00 -2.02 0.00 0.00 63.50 60.77 1ehx n PRO 61 Cb 0.50 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 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 -3.31 -0.27 -0.94 -0.52 0.28 -1.26 -4.47 120.64 110.15 1ehx n GLU 62 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1ehx n GLU 62 Cb 0.30 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.17 1ehx n GLU 62 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ehx n ASN 63 N -1.58 -1.12 -4.50 -1.84 2.85 -1.16 -4.68 115.26 103.24 1ehx n ASN 63 Ca 0.00 -0.63 -0.31 0.00 -0.11 0.00 0.00 54.58 53.53 1ehx n ASN 63 Cb 0.00 -0.11 -0.12 0.00 1.24 0.00 0.00 39.78 40.80 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 2.29 3.00 -1.06 -0.44 -4.23 0.21 -4.93 115.64 110.48 1ehx s THR 64 Ca 0.00 -1.17 -0.17 0.00 -1.18 0.00 0.00 61.69 59.17 1ehx s THR 64 Cb 0.00 -2.30 0.14 0.00 1.34 0.00 0.00 72.50 71.68 1ehx s THR 64 CO 0.00 0.29 1.30 -0.89 -0.54 0.00 0.00 174.62 174.78 1ehx s THR 65 N -1.00 4.78 -0.08 3.99 2.01 -1.26 0.23 115.64 124.31 1ehx s THR 65 Ca 0.16 -1.98 -0.29 0.00 0.31 0.00 0.00 61.69 59.89 1ehx s THR 65 Cb -0.11 -4.87 -0.06 0.00 0.01 0.00 0.00 72.50 67.48 1ehx s THR 65 CO 0.07 -1.60 1.76 -0.75 -0.69 0.00 0.00 174.62 173.41 1ehx s LYS 66 N 2.44 4.01 -0.23 4.92 2.47 0.54 -4.81 119.74 129.08 1ehx s LYS 66 Ca 0.38 2.17 -0.06 0.00 -1.56 0.00 0.00 55.97 56.90 1ehx s LYS 66 Cb -0.03 -4.07 -0.02 0.00 -1.46 0.00 0.00 37.83 32.25 1ehx s LYS 66 CO -0.05 -1.06 0.03 0.99 0.16 0.00 0.00 175.35 175.43 1ehx s THR 67 N 4.69 4.06 -1.06 3.43 2.01 -1.26 0.17 115.64 127.69 1ehx s THR 67 Ca 0.78 -0.26 -0.14 0.00 0.31 0.00 0.00 61.69 62.39 1ehx s THR 67 Cb -0.34 -2.88 0.20 0.00 0.01 0.00 0.00 72.50 69.49 1ehx s THR 67 CO 0.33 0.38 1.18 -0.76 -0.69 0.00 0.00 174.62 175.05 1ehx s LEU 68 N 1.44 5.65 -0.54 4.42 1.02 0.39 -4.65 118.68 126.41 1ehx s LEU 68 Ca 0.05 -2.88 -0.19 0.00 0.02 0.00 0.00 54.13 51.13 1ehx s LEU 68 Cb -0.15 -2.32 0.08 0.00 0.02 0.00 0.00 46.19 43.82 1ehx s LEU 68 CO 0.02 -0.68 0.65 -0.89 0.02 0.00 0.00 176.35 175.47 1ehx s THR 69 N 0.90 4.87 -0.27 5.49 2.01 -1.26 0.33 115.64 127.70 1ehx s THR 69 Ca 0.33 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 1ehx s THR 69 Cb -0.06 -4.38 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 1ehx s THR 69 CO -0.06 -0.94 1.42 -0.36 -0.69 0.00 0.00 174.62 173.99 1ehx s PHE 70 N 2.59 2.47 -0.94 4.92 0.40 -1.17 -4.15 117.98 122.10 1ehx s PHE 70 Ca 0.13 0.75 -0.24 0.00 -0.60 0.00 0.00 56.93 56.96 1ehx s PHE 70 Cb -0.22 -3.95 -0.07 0.00 0.51 0.00 0.00 43.02 39.30 1ehx s PHE 70 CO 0.09 -2.16 2.00 0.34 0.70 0.00 0.00 175.22 176.18 1ehx s ASP 71 N 3.35 4.96 -0.18 1.36 2.15 -0.41 -4.51 116.67 123.39 1ehx s ASP 71 Ca 0.62 -0.77 0.09 0.00 0.43 0.00 0.00 52.55 52.92 1ehx s ASP 71 Cb -0.20 -2.56 0.55 0.00 -0.30 0.00 0.00 42.92 40.41 1ehx s ASP 71 CO 0.26 -2.96 1.38 0.49 -0.17 0.00 0.00 175.17 174.16 1ehx n PHE 72 N 14.66 1.49 -1.23 -5.34 3.72 -1.26 0.07 117.46 129.56 1ehx n PHE 72 Ca 0.42 -0.58 -0.10 0.00 -0.05 0.00 0.00 57.45 57.13 1ehx n PHE 72 Cb 0.46 -0.42 -0.04 0.00 -0.94 0.00 0.00 39.48 38.54 1ehx n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ehx n GLY 73 N 0.32 0.97 0.03 1.37 0.00 -1.26 -4.39 105.19 102.23 1ehx n GLY 73 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.69 0.45 0.00 1.61 0.24 -1.26 -5.01 118.33 112.67 1ehx n VAL 74 Ca -0.10 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1ehx n VAL 74 Cb 0.37 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 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 2.68 0.37 0.31 7.63 0.00 -1.26 -4.00 105.19 110.93 1ehx n GLY 75 Ca -0.11 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 0.08 112.91 115.35 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 0.29 0.37 0.00 0.00 175.52 176.18 1ehx n LYS 77 N -4.53 1.82 -1.89 6.66 5.02 -1.26 -4.88 118.16 119.12 1ehx n LYS 77 Ca -0.03 -1.07 -0.43 0.00 -2.02 0.00 0.00 58.31 54.76 1ehx n LYS 77 Cb 0.24 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1ehx n LYS 77 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1ehx s ASN 78 N -0.87 5.95 -0.63 4.39 3.84 0.01 -4.59 114.94 123.04 1ehx s ASN 78 Ca 0.20 1.68 -0.26 0.00 0.21 0.00 0.00 52.86 54.69 1ehx s ASN 78 Cb 0.11 -2.52 -0.11 0.00 -0.55 0.00 0.00 41.25 38.18 1ehx s ASN 78 CO 0.12 -1.60 2.46 -0.81 -2.79 0.00 0.00 177.10 174.47 1ehx n PRO 79 N 8.24 0.77 -3.33 0.43 -0.04 -1.26 -4.87 135.00 134.94 1ehx n PRO 79 Ca 0.23 -0.12 -0.39 0.00 -0.04 0.00 0.00 63.50 63.18 1ehx n PRO 79 Cb 0.45 -3.10 -0.08 0.00 -0.04 0.00 0.00 33.50 30.74 1ehx n PRO 79 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ehx s LYS 80 N 8.46 4.11 -0.03 0.54 -0.14 -1.26 -3.02 119.74 128.40 1ehx s LYS 80 Ca 1.05 0.22 -0.12 0.00 -1.36 0.00 0.00 55.97 55.76 1ehx s LYS 80 Cb -0.36 -3.60 -0.05 0.00 -1.68 0.00 0.00 37.83 32.14 1ehx s LYS 80 CO 0.28 -0.19 0.33 -1.17 -0.76 0.00 0.00 175.35 173.84 1ehx s LEU 81 N 1.78 4.44 -0.64 3.17 0.20 0.15 -4.48 118.68 123.30 1ehx s LEU 81 Ca 0.19 0.81 0.03 0.00 0.69 0.00 0.00 54.13 55.85 1ehx s LEU 81 Cb -0.15 -2.45 0.16 0.00 -0.43 0.00 0.00 46.19 43.31 1ehx s LEU 81 CO 0.09 0.34 0.42 -0.89 -0.29 0.00 0.00 176.35 176.02 1ehx s THR 82 N -1.08 3.00 -0.31 3.68 2.01 0.75 0.15 115.64 123.84 1ehx s THR 82 Ca 0.22 -3.70 -0.10 0.00 0.31 0.00 0.00 61.69 58.41 1ehx s THR 82 Cb -0.15 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 1ehx s THR 82 CO 0.11 -0.91 0.17 -0.51 -0.69 0.00 0.00 174.62 172.79 1ehx s ILE 83 N -0.81 4.81 -0.25 1.82 2.07 0.46 -1.09 121.20 128.21 1ehx s ILE 83 Ca 0.21 -0.30 -0.16 0.00 -1.41 0.00 0.00 60.65 58.99 1ehx s ILE 83 Cb -0.15 -3.43 -0.04 0.00 0.13 0.00 0.00 42.46 38.97 1ehx s ILE 83 CO -0.08 0.08 0.40 0.28 -1.91 0.00 0.00 174.94 173.71 1ehx s THR 84 N 1.65 5.17 -0.40 4.00 -1.32 -0.34 0.20 115.64 124.60 1ehx s THR 84 Ca 0.05 0.65 -0.13 0.00 -1.21 0.00 0.00 61.69 61.04 1ehx s THR 84 Cb -0.17 -3.72 0.02 0.00 -1.51 0.00 0.00 72.50 67.12 1ehx s THR 84 CO 0.08 0.17 0.27 0.68 -2.21 0.00 0.00 174.62 173.60 1ehx s VAL 85 N 1.91 4.99 0.97 5.08 -7.23 0.14 -1.44 120.40 124.81 1ehx s VAL 85 Ca 0.17 -0.75 -0.14 0.00 -1.81 0.00 0.00 61.98 59.44 1ehx s VAL 85 Cb -0.15 -3.79 0.17 0.00 0.56 0.00 0.00 36.38 33.17 1ehx s VAL 85 CO 0.09 -0.29 1.19 -0.76 -0.31 0.00 0.00 175.10 175.02 1ehx s LEU 86 N 1.63 2.03 0.71 1.32 1.43 -0.41 -0.62 118.68 124.76 1ehx s LEU 86 Ca 0.04 0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 53.75 1ehx s LEU 86 Cb -0.19 -2.85 0.05 0.00 0.03 0.00 0.00 46.19 43.22 1ehx s LEU 86 CO 0.09 -2.81 1.04 -2.16 0.23 0.00 0.00 176.35 172.74 1ehx s PRO 87 N -5.50 2.36 1.05 1.29 0.04 -1.26 0.11 135.00 133.09 1ehx s PRO 87 Ca 0.68 -0.05 -0.12 0.00 0.04 0.00 0.00 61.00 61.54 1ehx s PRO 87 Cb -0.10 -2.13 0.22 0.00 0.04 0.00 0.00 34.50 32.53 1ehx s PRO 87 CO 0.53 -1.19 1.07 0.15 0.04 0.00 0.00 177.00 177.60 1ehx s LYS 88 N -5.28 -0.03 0.07 4.56 1.02 -1.26 -4.53 119.74 114.29 1ehx s LYS 88 Ca 0.59 0.80 0.01 0.00 0.02 0.00 0.00 55.97 57.39 1ehx s LYS 88 Cb -0.11 -1.66 0.01 0.00 -0.52 0.00 0.00 37.83 35.55 1ehx s LYS 88 CO 0.46 -3.12 0.10 -3.47 -0.92 0.00 0.00 175.35 168.40 1ehx n ASP 89 N -4.49 0.22 -3.75 2.83 -0.08 -1.26 -5.10 116.55 104.92 1ehx n ASP 89 Ca 0.05 -1.17 -0.12 0.00 -1.51 0.00 0.00 54.79 52.04 1ehx n ASP 89 Cb 0.55 -0.05 -0.12 0.00 2.34 0.00 0.00 41.12 43.84 1ehx n ASP 89 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1ehx s ILE 90 N 0.46 -0.01 0.64 5.18 1.09 -1.26 -5.16 121.20 122.13 1ehx s ILE 90 Ca 0.07 0.05 -0.15 0.00 -1.10 0.00 0.00 60.65 59.52 1ehx s ILE 90 Cb -0.01 -0.41 -0.01 0.00 -1.06 0.00 0.00 42.46 40.97 1ehx s ILE 90 CO 0.05 0.02 1.10 -2.16 -0.10 0.00 0.00 174.94 173.84 1ehx s PRO 91 N 0.59 2.96 0.00 2.79 0.04 -1.26 -4.70 135.00 135.42 1ehx s PRO 91 Ca -0.04 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1ehx s PRO 91 Cb -0.05 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1ehx s PRO 91 CO -0.03 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.30 1ehx n GLY 92 N -0.63 1.15 3.14 0.56 0.00 -1.26 -5.07 105.19 103.08 1ehx n GLY 92 Ca 0.10 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1ehx n GLY 92 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ehx s LEU 93 N 0.00 -1.38 0.00 0.99 0.20 -1.26 -5.39 118.68 111.84 1ehx s LEU 93 Ca 0.00 -0.33 0.00 0.00 0.69 0.00 0.00 54.13 54.49 1ehx s LEU 93 Cb 0.00 1.80 0.00 0.00 -0.43 0.00 0.00 46.19 47.56 1ehx s LEU 93 CO 0.00 -0.20 0.00 -0.62 -0.29 0.00 0.00 176.35 175.24