#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ehx n GLN 2 N 0.00 0.00 -2.55 2.12 3.00 -1.26 -5.01 117.38 113.68 1ehx n GLN 2 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1ehx n GLN 2 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.28 1ehx n GLN 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1ehx n ASP 3 N 0.00 -1.28 -4.78 1.08 9.92 -1.26 -5.11 116.55 115.12 1ehx n ASP 3 Ca 0.00 -1.88 -0.37 0.00 -0.53 0.00 0.00 54.79 52.01 1ehx n ASP 3 Cb 0.00 0.87 -0.03 0.00 -0.64 0.00 0.00 41.12 41.31 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 0.09 4.13 -0.61 -0.24 0.04 -1.26 -4.79 135.00 132.36 1ehx s PRO 4 Ca 0.09 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.77 1ehx s PRO 4 Cb 0.20 -2.58 0.17 0.00 0.04 0.00 0.00 34.50 32.33 1ehx s PRO 4 CO -0.05 -0.19 0.44 0.99 0.04 0.00 0.00 177.00 178.23 1ehx s THR 5 N -1.59 2.11 0.02 1.26 2.01 -0.70 -4.98 115.64 113.77 1ehx s THR 5 Ca 0.58 -3.74 0.00 0.00 0.31 0.00 0.00 61.69 58.84 1ehx s THR 5 Cb -0.24 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1ehx s THR 5 CO 0.30 -1.06 0.01 2.30 -0.69 0.00 0.00 174.62 175.47 1ehx n ILE 6 N 2.29 0.00 -0.98 1.82 -5.35 -1.26 -2.50 119.36 113.38 1ehx n ILE 6 Ca 0.22 -0.09 -0.38 0.00 -0.27 0.00 0.00 62.75 62.24 1ehx n ILE 6 Cb 0.39 -0.16 0.03 0.00 -1.74 0.00 0.00 39.64 38.16 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 -1.36 -3.83 -3.00 7.28 0.23 -1.25 -4.96 115.26 108.36 1ehx n ASN 7 Ca -0.01 0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.10 1ehx n ASN 7 Cb 0.02 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.16 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 2.46 2.20 0.00 -0.53 -0.02 -1.26 -4.92 135.00 132.93 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 0.69 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.17 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 -0.14 0.00 -3.63 3.45 -1.04 -1.26 -4.34 114.28 107.31 1ehx n THR 9 Ca 0.00 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.05 61.81 1ehx n THR 9 Cb 0.00 1.77 -0.07 0.00 -1.82 0.00 0.00 70.33 70.21 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 -0.01 -0.46 0.32 8.00 0.01 -1.26 -1.31 113.70 118.98 1ehx s SER 10 Ca 0.00 0.87 -0.14 0.00 1.31 0.00 0.00 55.95 57.99 1ehx s SER 10 Cb 0.00 0.88 0.02 0.00 0.21 0.00 0.00 66.02 67.13 1ehx s SER 10 CO 0.00 -0.17 0.65 0.27 0.41 0.00 0.00 173.24 174.40 1ehx s ILE 11 N 0.15 0.00 -0.09 1.44 -4.36 -0.15 -4.90 121.20 113.28 1ehx s ILE 11 Ca 0.03 -1.19 -0.10 0.00 -0.26 0.00 0.00 60.65 59.13 1ehx s ILE 11 Cb -0.05 -2.43 0.03 0.00 1.25 0.00 0.00 42.46 41.26 1ehx s ILE 11 CO -0.05 0.00 0.27 -0.94 0.24 0.00 0.00 174.94 174.46 1ehx s SER 12 N -3.04 -0.27 -0.21 4.36 1.04 -1.26 -1.08 113.70 113.24 1ehx s SER 12 Ca 0.18 0.50 -0.29 0.00 0.48 0.00 0.00 55.95 56.82 1ehx s SER 12 Cb -0.04 0.54 0.14 0.00 0.10 0.00 0.00 66.02 66.76 1ehx s SER 12 CO 0.11 -0.13 1.08 0.00 0.98 0.00 0.00 173.24 175.28 1ehx s ALA 13 N -0.02 -1.98 0.54 5.32 0.00 0.20 -4.91 121.76 120.91 1ehx s ALA 13 Ca -0.02 1.69 -0.19 0.00 0.00 0.00 0.00 51.96 53.44 1ehx s ALA 13 Cb -0.02 -1.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 1ehx s ALA 13 CO 0.01 -0.27 1.12 0.21 0.00 0.00 0.00 175.76 176.82 1ehx s LYS 14 N -0.77 3.40 -0.44 0.00 2.36 -1.26 -0.04 119.74 122.99 1ehx s LYS 14 Ca 0.01 1.57 -0.27 0.00 -2.55 0.00 0.00 55.97 54.74 1ehx s LYS 14 Cb -0.02 -2.02 -0.04 0.00 -1.05 0.00 0.00 37.83 34.71 1ehx s LYS 14 CO -0.02 -0.80 2.09 0.00 1.55 0.00 0.00 175.35 178.17 1ehx s ALA 15 N -1.81 2.25 0.00 3.13 0.00 -1.09 0.08 121.76 124.31 1ehx s ALA 15 Ca 0.72 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1ehx s ALA 15 Cb -0.23 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1ehx s ALA 15 CO 0.26 -3.61 0.00 0.41 0.00 0.00 0.00 175.76 172.82 1ehx n GLY 16 N 5.75 3.40 0.03 0.00 0.00 -1.26 -4.73 105.19 108.38 1ehx n GLY 16 Ca 0.28 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1ehx n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ehx n SER 17 N 0.00 0.03 -4.39 1.61 2.88 0.11 -4.25 113.62 109.61 1ehx n SER 17 Ca 0.00 -0.95 -0.45 0.00 -1.33 0.00 0.00 58.87 56.14 1ehx n SER 17 Cb 0.00 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1ehx n SER 17 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1ehx n PHE 18 N -0.45 5.17 -2.18 0.66 3.72 -1.20 -4.68 117.46 118.50 1ehx n PHE 18 Ca 0.00 -3.70 -0.40 0.00 -0.05 0.00 0.00 57.45 53.29 1ehx n PHE 18 Cb 0.01 -1.90 -0.02 0.00 -0.94 0.00 0.00 39.48 36.63 1ehx n PHE 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ehx s ALA 19 N -0.19 3.46 0.01 4.37 0.00 -1.26 -3.40 121.76 124.74 1ehx s ALA 19 Ca 0.36 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.21 1ehx s ALA 19 Cb -0.07 -3.45 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 1ehx s ALA 19 CO -0.05 -0.56 0.76 -3.47 0.00 0.00 0.00 175.76 172.45 1ehx n ASP 20 N 0.82 -0.04 -4.28 0.00 -0.08 -1.26 -4.66 116.55 107.05 1ehx n ASP 20 Ca 0.00 0.84 -0.21 0.00 -1.51 0.00 0.00 54.79 53.91 1ehx n ASP 20 Cb 0.43 -0.67 -0.12 0.00 2.34 0.00 0.00 41.12 43.10 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 -0.03 1.60 0.17 5.18 2.01 -0.14 -4.94 115.64 119.49 1ehx s THR 21 Ca 0.66 -1.71 0.07 0.00 0.31 0.00 0.00 61.69 61.01 1ehx s THR 21 Cb -0.92 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1ehx s THR 21 CO 0.42 -0.27 0.04 -1.59 -0.69 0.00 0.00 174.62 172.52 1ehx s LYS 22 N -2.44 2.54 0.02 4.92 -2.85 -1.26 0.23 119.74 120.90 1ehx s LYS 22 Ca 0.10 -1.04 -0.06 0.00 -1.00 0.00 0.00 55.97 53.97 1ehx s LYS 22 Cb -0.07 -2.44 -0.01 0.00 -2.06 0.00 0.00 37.83 33.26 1ehx s LYS 22 CO 0.05 0.46 0.10 0.42 0.10 0.00 0.00 175.35 176.48 1ehx s ILE 23 N -1.73 0.11 -0.28 3.79 -1.09 0.75 -4.87 121.20 117.87 1ehx s ILE 23 Ca 0.28 -0.92 0.03 0.00 -2.23 0.00 0.00 60.65 57.81 1ehx s ILE 23 Cb -0.10 -0.66 0.08 0.00 -1.58 0.00 0.00 42.46 40.20 1ehx s ILE 23 CO 0.20 -0.51 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.47 1ehx s THR 24 N -2.04 2.05 -1.16 2.92 2.01 -1.26 -1.31 115.64 116.86 1ehx s THR 24 Ca -0.10 -1.80 -0.20 0.00 0.31 0.00 0.00 61.69 59.90 1ehx s THR 24 Cb -0.04 -2.31 0.07 0.00 0.01 0.00 0.00 72.50 70.22 1ehx s THR 24 CO -0.02 -0.26 1.56 -0.76 -0.69 0.00 0.00 174.62 174.45 1ehx s LEU 25 N 1.10 3.88 -0.40 4.42 1.43 0.12 -3.93 118.68 125.31 1ehx s LEU 25 Ca -0.01 -2.07 -0.28 0.00 -1.03 0.00 0.00 54.13 50.74 1ehx s LEU 25 Cb -0.19 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 1ehx s LEU 25 CO -0.07 -1.26 1.75 -0.89 0.23 0.00 0.00 176.35 176.10 1ehx s THR 26 N 4.21 3.52 -2.35 5.49 2.01 -1.04 -4.08 115.64 123.40 1ehx s THR 26 Ca 0.49 0.50 0.21 0.00 0.31 0.00 0.00 61.69 63.20 1ehx s THR 26 Cb 0.01 -3.80 0.44 0.00 0.01 0.00 0.00 72.50 69.16 1ehx s THR 26 CO -0.01 -0.57 1.45 -0.81 -0.69 0.00 0.00 174.62 173.99 1ehx n PRO 27 N 8.52 2.18 -0.75 4.92 -0.04 -1.26 -1.72 135.00 146.86 1ehx n PRO 27 Ca 0.21 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1ehx n PRO 27 Cb 0.48 -1.46 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 1.00 -0.64 0.00 3.54 5.15 -1.26 0.35 115.26 123.41 1ehx n ASN 28 Ca 0.18 -0.43 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 1ehx n ASN 28 Cb 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 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 2.78 1.65 3.81 8.20 0.00 -1.26 -4.91 105.19 115.46 1ehx n GLY 29 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 5.09 0.19 1.61 0.01 1.10 -5.00 114.94 117.20 1ehx s ASN 30 Ca 0.00 -0.58 0.09 0.00 -0.71 0.00 0.00 52.86 51.66 1ehx s ASN 30 Cb 0.00 -0.91 -0.04 0.00 0.41 0.00 0.00 41.25 40.71 1ehx s ASN 30 CO 0.00 -0.32 -0.18 0.28 -1.51 0.00 0.00 177.10 175.37 1ehx s THR 31 N -2.34 1.94 0.10 1.60 -1.32 -1.26 -4.20 115.64 110.17 1ehx s THR 31 Ca 0.39 -2.06 0.07 0.00 -1.21 0.00 0.00 61.69 58.89 1ehx s THR 31 Cb -0.05 -1.98 -0.04 0.00 -1.51 0.00 0.00 72.50 68.93 1ehx s THR 31 CO 0.25 -0.37 -0.12 0.12 -2.21 0.00 0.00 174.62 172.29 1ehx s PHE 32 N -2.27 2.68 -0.10 9.09 5.36 -1.26 -4.18 117.98 127.30 1ehx s PHE 32 Ca 0.20 -0.19 -0.00 0.00 -0.96 0.00 0.00 56.93 55.98 1ehx s PHE 32 Cb -0.05 -1.42 -0.06 0.00 -0.34 0.00 0.00 43.02 41.16 1ehx s PHE 32 CO 0.08 0.41 -0.09 -1.71 -1.46 0.00 0.00 175.22 172.44 1ehx n ASN 33 N 0.80 2.84 0.00 6.13 2.85 0.10 -4.99 115.26 122.99 1ehx n ASN 33 Ca -0.14 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 1ehx n ASN 33 Cb 0.52 -0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.37 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 -0.07 2.99 8.20 0.00 -1.25 -5.01 105.19 112.99 1ehx n GLY 34 Ca -0.18 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.65 3.06 0.46 -0.61 1.01 -1.26 -1.09 121.20 121.12 1ehx s ILE 35 Ca 0.00 -3.49 0.15 0.00 0.00 0.00 0.00 60.65 57.32 1ehx s ILE 35 Cb 0.00 -3.04 0.20 0.00 0.01 0.00 0.00 42.46 39.63 1ehx s ILE 35 CO 0.00 -0.88 2.03 0.28 0.00 0.00 0.00 174.94 176.36 1ehx h SER 36 N 6.35 0.00 -0.60 3.58 0.02 -1.97 -0.41 113.55 120.52 1ehx h SER 36 Ca 0.00 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.12 1ehx h SER 36 Cb 0.87 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 1ehx h SER 36 CO 0.71 0.15 0.54 -0.08 -1.14 0.00 0.00 176.83 177.01 1ehx h GLU 37 N 0.00 0.00 -2.41 3.45 4.81 -1.82 -3.15 114.58 115.46 1ehx h GLU 37 Ca -0.00 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.69 1ehx h GLU 37 Cb 0.26 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 29.27 1ehx h GLU 37 CO 0.02 0.00 -0.83 -0.48 -0.73 0.00 0.00 179.01 176.99 1ehx s LEU 38 N -7.80 0.80 -0.60 1.64 2.34 -0.17 -4.88 118.68 110.01 1ehx s LEU 38 Ca -0.04 -2.20 -0.06 0.00 0.06 0.00 0.00 54.13 51.88 1ehx s LEU 38 Cb 0.18 -0.19 -0.20 0.00 -0.56 0.00 0.00 46.19 45.42 1ehx s LEU 38 CO 0.63 -0.28 1.30 0.00 -1.06 0.00 0.00 176.35 176.94 1ehx n GLN 39 N 3.89 0.00 0.00 1.48 1.13 -1.19 -4.22 117.38 118.46 1ehx n GLN 39 Ca 0.15 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 1ehx n GLN 39 Cb 0.40 -0.61 0.00 0.00 0.11 0.00 0.00 30.24 30.14 1ehx n GLN 39 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1ehx n SER 40 N 3.47 0.00 0.04 1.08 3.41 -1.24 -0.77 113.62 119.60 1ehx n SER 40 Ca 0.40 0.00 0.21 0.00 -0.26 0.00 0.00 58.87 59.23 1ehx n SER 40 Cb 0.08 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.68 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 -0.31 4.04 0.87 -1.94 0.69 113.55 116.89 1ehx h SER 41 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1ehx h SER 41 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1ehx h SER 41 CO 0.00 0.00 0.21 1.56 -0.53 0.00 0.00 176.83 178.07 1ehx h GLN 42 N 0.00 0.36 0.00 2.24 1.08 -1.12 -3.45 115.11 114.22 1ehx h GLN 42 Ca 0.25 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.39 1ehx h GLN 42 Cb 1.56 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.90 1ehx h GLN 42 CO -0.00 0.24 -0.03 2.48 -0.95 0.00 0.00 178.83 180.56 1ehx n TYR 43 N -4.49 -0.00 -3.85 2.96 4.11 0.24 -3.08 117.16 113.05 1ehx n TYR 43 Ca 0.02 -0.19 -0.30 0.00 -0.00 0.00 0.00 57.90 57.44 1ehx n TYR 43 Cb 0.11 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.34 1ehx n TYR 43 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1ehx s THR 44 N -1.72 3.17 0.40 -3.48 2.01 0.46 -4.89 115.64 111.60 1ehx s THR 44 Ca 0.02 -4.06 -0.25 0.00 0.31 0.00 0.00 61.69 57.70 1ehx s THR 44 Cb 0.00 -3.06 -0.08 0.00 0.01 0.00 0.00 72.50 69.36 1ehx s THR 44 CO 0.01 -0.99 1.20 -1.59 -0.69 0.00 0.00 174.62 172.56 1ehx s LYS 45 N -1.27 4.03 -0.50 4.92 0.00 -1.26 -1.00 119.74 124.66 1ehx s LYS 45 Ca 0.24 1.92 0.07 0.00 0.00 0.00 0.00 55.97 58.20 1ehx s LYS 45 Cb -0.08 -2.70 0.19 0.00 0.00 0.00 0.00 37.83 35.24 1ehx s LYS 45 CO -0.14 -0.37 0.67 0.20 0.00 0.00 0.00 175.35 175.71 1ehx s GLY 46 N -1.03 -0.94 0.00 0.59 0.00 0.24 -4.93 107.32 101.25 1ehx s GLY 46 Ca 0.57 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.66 1ehx s GLY 46 CO 0.41 3.46 0.00 2.41 0.00 0.00 0.00 173.10 179.38 1ehx n THR 47 N 3.06 0.00 -0.25 0.90 -1.04 -1.26 0.16 114.28 115.85 1ehx n THR 47 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1ehx n THR 47 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 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 0.41 0.00 -3.90 8.00 3.02 -1.26 -5.01 115.26 116.53 1ehx n ASN 48 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1ehx n ASN 48 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.60 0.60 -0.14 3.52 2.02 0.12 0.10 118.70 124.33 1ehx s GLU 49 Ca 0.00 -0.67 -0.07 0.00 0.02 0.00 0.00 54.97 54.25 1ehx s GLU 49 Cb 0.00 0.24 0.06 0.00 0.10 0.00 0.00 34.13 34.53 1ehx s GLU 49 CO 0.00 -0.16 0.33 0.14 0.02 0.00 0.00 175.26 175.60 1ehx s VAL 50 N -2.41 -0.08 -0.24 2.63 -7.23 -0.42 0.80 120.40 113.44 1ehx s VAL 50 Ca -0.06 0.13 0.02 0.00 -1.81 0.00 0.00 61.98 60.26 1ehx s VAL 50 Cb -0.02 -0.51 0.06 0.00 0.56 0.00 0.00 36.38 36.47 1ehx s VAL 50 CO -0.03 0.05 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.81 1ehx s THR 51 N 1.45 2.00 0.25 5.32 2.01 -0.17 0.27 115.64 126.76 1ehx s THR 51 Ca -0.09 -1.46 -0.30 0.00 0.31 0.00 0.00 61.69 60.16 1ehx s THR 51 Cb -0.10 -2.11 -0.09 0.00 0.01 0.00 0.00 72.50 70.21 1ehx s THR 51 CO -0.11 0.02 1.30 -0.76 -0.69 0.00 0.00 174.62 174.38 1ehx s LEU 52 N 1.19 4.43 -0.36 4.42 1.02 0.64 0.17 118.68 130.19 1ehx s LEU 52 Ca -0.07 2.49 -0.07 0.00 0.02 0.00 0.00 54.13 56.50 1ehx s LEU 52 Cb -0.19 -3.62 0.05 0.00 0.02 0.00 0.00 46.19 42.45 1ehx s LEU 52 CO -0.06 -0.51 0.15 -0.76 0.02 0.00 0.00 176.35 175.19 1ehx s LEU 53 N -0.69 4.59 0.52 1.79 1.43 -1.18 -0.97 118.68 124.17 1ehx s LEU 53 Ca 0.54 -1.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.39 1ehx s LEU 53 Cb -0.37 -1.89 0.16 0.00 0.03 0.00 0.00 46.19 44.11 1ehx s LEU 53 CO 0.43 -0.39 0.86 0.00 0.23 0.00 0.00 176.35 177.47 1ehx n ALA 54 N 4.82 0.17 -0.04 4.21 0.00 -1.22 0.75 120.51 129.20 1ehx n ALA 54 Ca -0.11 0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 1ehx n ALA 54 Cb 0.44 -0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.70 1ehx n ALA 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ehx h SER 55 N 0.00 0.24 0.62 0.00 4.64 -1.91 -0.36 113.55 116.78 1ehx h SER 55 Ca 0.09 -0.54 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 1ehx h SER 55 Cb 1.77 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 63.80 1ehx h SER 55 CO -0.00 0.73 -0.30 0.22 -0.87 0.00 0.00 176.83 176.61 1ehx h TYR 56 N -0.24 -0.77 -0.71 4.77 3.20 0.11 0.40 116.97 123.73 1ehx h TYR 56 Ca 0.01 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.01 1ehx h TYR 56 Cb 0.68 0.26 -0.11 0.00 1.54 0.00 0.00 36.73 39.10 1ehx h TYR 56 CO 0.10 -0.48 0.15 1.25 -1.64 0.00 0.00 178.16 177.54 1ehx h LEU 57 N -1.08 -0.03 -1.50 2.82 5.85 -1.65 0.61 115.31 120.33 1ehx h LEU 57 Ca -0.09 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1ehx h LEU 57 Cb 0.64 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1ehx h LEU 57 CO 0.14 -0.04 -0.26 -1.13 -0.34 0.00 0.00 178.44 176.81 1ehx h ASN 58 N 0.25 0.00 1.15 1.25 -1.24 -1.04 -2.57 115.58 113.38 1ehx h ASN 58 Ca 0.39 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.29 1ehx h ASN 58 Cb 0.65 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 1ehx h ASN 58 CO -0.50 0.26 -0.51 0.74 -1.29 0.00 0.00 177.43 176.13 1ehx h THR 59 N 0.00 0.98 -2.31 -3.57 2.02 0.24 -3.38 112.91 106.88 1ehx h THR 59 Ca -0.00 -2.06 -0.59 0.00 0.77 0.00 0.00 66.41 64.52 1ehx h THR 59 Cb 0.49 2.26 0.18 0.00 -1.74 0.00 0.00 68.15 69.34 1ehx h THR 59 CO 0.03 0.50 -0.88 0.18 0.37 0.00 0.00 175.52 175.72 1ehx n LEU 60 N -3.38 -2.09 0.00 2.58 7.99 0.01 -4.94 117.00 117.17 1ehx n LEU 60 Ca 0.01 0.70 0.00 0.00 -0.01 0.00 0.00 56.01 56.70 1ehx n LEU 60 Cb 0.66 -0.96 0.00 0.00 -0.11 0.00 0.00 43.42 43.01 1ehx n LEU 60 CO 0.40 -4.15 0.00 -0.81 -1.51 0.00 0.00 177.39 171.31 1ehx n PRO 61 N 0.96 0.27 0.00 3.23 -0.04 -1.26 -4.96 135.00 133.20 1ehx n PRO 61 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1ehx n PRO 61 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 1ehx n PRO 61 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ehx n GLU 62 N -0.79 -1.37 -0.91 0.54 0.00 -1.26 -4.47 120.64 112.39 1ehx n GLU 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ehx n GLU 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1ehx n GLU 62 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1ehx n ASN 63 N -2.76 -1.61 -4.65 -1.84 4.13 -1.23 -4.67 115.26 102.62 1ehx n ASN 63 Ca 0.00 -1.09 -0.28 0.00 1.68 0.00 0.00 54.58 54.89 1ehx n ASN 63 Cb 0.00 -0.42 -0.10 0.00 -1.54 0.00 0.00 39.78 37.72 1ehx n ASN 63 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1ehx s THR 64 N 0.64 1.98 -0.70 3.41 -4.23 0.01 -4.94 115.64 111.81 1ehx s THR 64 Ca 0.00 -1.94 0.05 0.00 -1.18 0.00 0.00 61.69 58.61 1ehx s THR 64 Cb 0.00 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 71.13 1ehx s THR 64 CO 0.00 0.00 0.67 0.41 -0.54 0.00 0.00 174.62 175.16 1ehx n THR 65 N -1.04 2.21 -1.88 3.99 -1.04 -1.25 0.18 114.28 115.45 1ehx n THR 65 Ca -0.05 -5.09 -0.40 0.00 -2.04 0.00 0.00 64.05 56.46 1ehx n THR 65 Cb 0.67 -2.16 -0.03 0.00 -1.82 0.00 0.00 70.33 66.99 1ehx n THR 65 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1ehx s LYS 66 N -1.99 2.79 -0.13 -2.82 2.47 0.76 -4.45 119.74 116.38 1ehx s LYS 66 Ca 0.32 1.19 -0.11 0.00 -1.56 0.00 0.00 55.97 55.81 1ehx s LYS 66 Cb 0.05 -4.37 -0.05 0.00 -1.46 0.00 0.00 37.83 32.01 1ehx s LYS 66 CO -0.08 -2.51 0.22 0.99 0.16 0.00 0.00 175.35 174.14 1ehx s THR 67 N 8.97 5.35 -0.91 3.43 2.01 -1.26 0.78 115.64 134.01 1ehx s THR 67 Ca 0.81 0.40 -0.13 0.00 0.31 0.00 0.00 61.69 63.08 1ehx s THR 67 Cb -0.19 -3.53 0.22 0.00 0.01 0.00 0.00 72.50 69.02 1ehx s THR 67 CO 0.27 0.51 0.90 -1.48 -0.69 0.00 0.00 174.62 174.13 1ehx s LEU 68 N -0.34 6.48 -0.88 4.42 2.34 0.12 -4.51 118.68 126.32 1ehx s LEU 68 Ca 0.15 -2.86 -0.25 0.00 0.06 0.00 0.00 54.13 51.24 1ehx s LEU 68 Cb -0.13 -2.23 0.02 0.00 -0.56 0.00 0.00 46.19 43.29 1ehx s LEU 68 CO 0.04 -0.55 1.53 -0.89 -1.06 0.00 0.00 176.35 175.42 1ehx s THR 69 N 0.08 3.72 -0.61 5.48 2.01 -1.26 -1.44 115.64 123.62 1ehx s THR 69 Ca 0.23 -0.27 -0.26 0.00 0.31 0.00 0.00 61.69 61.69 1ehx s THR 69 Cb -0.09 -4.72 -0.02 0.00 0.01 0.00 0.00 72.50 67.67 1ehx s THR 69 CO -0.09 -1.64 1.87 -0.36 -0.69 0.00 0.00 174.62 173.72 1ehx s PHE 70 N 6.50 1.65 -0.59 4.92 0.40 -1.13 -4.26 117.98 125.47 1ehx s PHE 70 Ca 0.49 0.80 -0.27 0.00 -0.60 0.00 0.00 56.93 57.36 1ehx s PHE 70 Cb -0.05 -4.08 -0.02 0.00 0.51 0.00 0.00 43.02 39.38 1ehx s PHE 70 CO 0.02 -2.31 1.90 0.16 0.70 0.00 0.00 175.22 175.69 1ehx s ASP 71 N 8.18 5.22 -0.21 1.36 -4.77 -0.25 -4.11 116.67 122.09 1ehx s ASP 71 Ca 0.68 0.42 0.06 0.00 -3.30 0.00 0.00 52.55 50.41 1ehx s ASP 71 Cb -0.13 -2.53 0.47 0.00 -1.09 0.00 0.00 42.92 39.65 1ehx s ASP 71 CO 0.20 -2.40 1.42 0.49 0.70 0.00 0.00 175.17 175.59 1ehx n PHE 72 N 12.93 1.61 0.00 2.11 3.72 -1.26 -0.72 117.46 135.85 1ehx n PHE 72 Ca 0.22 -0.87 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 1ehx n PHE 72 Cb 0.52 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.04 2.90 0.10 1.37 0.00 -1.26 -4.44 105.19 103.82 1ehx n GLY 73 Ca 0.27 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 1ehx n GLY 73 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ehx h VAL 74 N 0.00 0.69 0.00 1.61 -1.51 -1.91 -3.48 116.25 111.65 1ehx h VAL 74 Ca 0.00 -1.88 0.00 0.00 -1.23 0.00 0.00 66.70 63.59 1ehx h VAL 74 Cb 0.00 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1ehx h VAL 74 CO 0.00 0.23 0.00 0.61 -1.23 0.00 0.00 177.57 177.18 1ehx n GLY 75 N 1.48 1.06 0.35 5.19 0.00 -1.26 -4.71 105.19 107.31 1ehx n GLY 75 Ca -0.25 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 2.61 2.02 -2.01 -3.06 112.91 112.47 1ehx h THR 76 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1ehx h THR 76 Cb 0.00 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.26 1ehx h THR 76 CO 0.00 0.00 -0.70 2.29 0.37 0.00 0.00 175.52 177.48 1ehx n LYS 77 N -4.86 0.95 -1.58 6.66 2.85 -1.26 -4.97 118.16 115.95 1ehx n LYS 77 Ca 0.01 -2.76 -0.45 0.00 -1.05 0.00 0.00 58.31 54.05 1ehx n LYS 77 Cb 0.23 -0.97 -0.02 0.00 -0.65 0.00 0.00 35.03 33.61 1ehx n LYS 77 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1ehx n ASN 78 N -0.48 1.17 -4.56 -5.58 6.94 -1.16 -4.59 115.26 107.00 1ehx n ASN 78 Ca 0.14 1.17 -0.16 0.00 -0.02 0.00 0.00 54.58 55.70 1ehx n ASN 78 Cb 0.87 -1.26 -0.06 0.00 -2.36 0.00 0.00 39.78 36.96 1ehx n ASN 78 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ehx s PRO 79 N -1.37 1.72 -0.20 -0.53 0.04 -1.26 -4.79 135.00 128.62 1ehx s PRO 79 Ca 0.61 0.49 -0.10 0.00 0.04 0.00 0.00 61.00 62.03 1ehx s PRO 79 Cb -0.73 -4.79 -0.05 0.00 0.04 0.00 0.00 34.50 28.97 1ehx s PRO 79 CO 0.59 -4.27 0.15 -1.59 0.04 0.00 0.00 177.00 171.92 1ehx s LYS 80 N 8.67 4.18 -0.58 4.56 -2.85 -1.26 -2.82 119.74 129.64 1ehx s LYS 80 Ca 0.91 -0.19 -0.12 0.00 -1.00 0.00 0.00 55.97 55.57 1ehx s LYS 80 Cb -0.13 -3.43 0.15 0.00 -2.06 0.00 0.00 37.83 32.36 1ehx s LYS 80 CO 0.09 0.26 0.50 -1.17 0.10 0.00 0.00 175.35 175.13 1ehx s LEU 81 N 0.46 6.07 -0.46 2.77 0.20 -0.52 -4.16 118.68 123.03 1ehx s LEU 81 Ca 0.09 -2.11 -0.28 0.00 0.69 0.00 0.00 54.13 52.51 1ehx s LEU 81 Cb -0.11 -2.11 0.00 0.00 -0.43 0.00 0.00 46.19 43.54 1ehx s LEU 81 CO -0.01 -0.70 1.52 0.28 -0.29 0.00 0.00 176.35 177.15 1ehx s THR 82 N 1.08 3.74 -0.24 3.68 -1.32 -0.43 0.14 115.64 122.29 1ehx s THR 82 Ca 0.08 0.70 -0.13 0.00 -1.21 0.00 0.00 61.69 61.14 1ehx s THR 82 Cb -0.24 -4.15 -0.04 0.00 -1.51 0.00 0.00 72.50 66.56 1ehx s THR 82 CO -0.01 -0.84 0.27 -0.63 -2.21 0.00 0.00 174.62 171.21 1ehx s ILE 83 N 6.20 5.27 -0.65 5.08 1.01 0.23 -0.98 121.20 137.37 1ehx s ILE 83 Ca 0.62 0.40 -0.20 0.00 0.00 0.00 0.00 60.65 61.48 1ehx s ILE 83 Cb -0.14 -3.61 0.10 0.00 0.01 0.00 0.00 42.46 38.82 1ehx s ILE 83 CO 0.30 0.27 0.83 -0.89 0.00 0.00 0.00 174.94 175.45 1ehx s THR 84 N 1.44 4.65 -0.34 2.92 2.01 -0.24 0.27 115.64 126.34 1ehx s THR 84 Ca 0.12 -0.85 -0.26 0.00 0.31 0.00 0.00 61.69 61.01 1ehx s THR 84 Cb -0.15 -4.58 0.01 0.00 0.01 0.00 0.00 72.50 67.79 1ehx s THR 84 CO 0.07 -1.28 0.91 0.54 -0.69 0.00 0.00 174.62 174.17 1ehx s VAL 85 N 3.12 4.64 -0.99 3.82 0.11 0.48 -0.63 120.40 130.95 1ehx s VAL 85 Ca 0.17 1.26 -0.02 0.00 -2.93 0.00 0.00 61.98 60.46 1ehx s VAL 85 Cb -0.20 -4.29 0.29 0.00 -1.53 0.00 0.00 36.38 30.65 1ehx s VAL 85 CO 0.06 -0.45 1.28 0.18 -3.33 0.00 0.00 175.10 172.84 1ehx n LEU 86 N 6.62 5.74 0.00 2.54 4.77 0.94 -0.81 117.00 136.80 1ehx n LEU 86 Ca 0.07 -5.24 0.00 0.00 -0.03 0.00 0.00 56.01 50.80 1ehx n LEU 86 Cb 0.48 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1ehx n LEU 86 CO 0.56 1.73 0.00 -0.81 -1.33 0.00 0.00 177.39 177.54 1ehx n PRO 87 N 1.38 1.57 -2.01 3.23 -0.04 -1.26 -2.67 135.00 135.20 1ehx n PRO 87 Ca 0.26 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.31 1ehx n PRO 87 Cb 0.35 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.78 1ehx n PRO 87 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ehx s LYS 88 N 0.00 4.26 0.10 0.54 3.01 -1.26 -4.71 119.74 121.68 1ehx s LYS 88 Ca 0.00 2.28 0.10 0.00 -1.01 0.00 0.00 55.97 57.34 1ehx s LYS 88 Cb 0.00 -3.15 -0.04 0.00 -1.01 0.00 0.00 37.83 33.63 1ehx s LYS 88 CO 0.00 -0.50 -0.26 0.34 0.51 0.00 0.00 175.35 175.45 1ehx s ASP 89 N 0.80 3.14 0.14 2.83 -1.08 -1.26 -4.74 116.67 116.51 1ehx s ASP 89 Ca 0.64 -0.69 0.14 0.00 -0.52 0.00 0.00 52.55 52.12 1ehx s ASP 89 Cb -0.42 -0.22 -0.08 0.00 -1.46 0.00 0.00 42.92 40.74 1ehx s ASP 89 CO 0.36 0.18 1.12 -0.29 0.52 0.00 0.00 175.17 177.06 1ehx h ILE 90 N 4.01 0.86 -3.37 4.11 -0.00 -1.98 -3.46 117.51 117.66 1ehx h ILE 90 Ca -0.49 -2.36 -0.56 0.00 -0.00 0.00 0.00 64.86 61.45 1ehx h ILE 90 Cb 1.16 2.34 -0.05 0.00 -0.00 0.00 0.00 36.82 40.28 1ehx h ILE 90 CO 0.40 0.49 0.09 -2.16 -0.00 0.00 0.00 178.15 176.98 1ehx s PRO 91 N -2.88 4.43 0.00 2.19 0.04 -1.26 -4.14 135.00 133.38 1ehx s PRO 91 Ca 0.00 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1ehx s PRO 91 Cb 0.08 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1ehx s PRO 91 CO 0.79 0.21 0.00 0.41 0.04 0.00 0.00 177.00 178.45 1ehx n GLY 92 N 2.69 1.42 3.22 0.56 0.00 -1.26 -5.09 105.19 106.72 1ehx n GLY 92 Ca -0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1ehx n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ehx s LEU 93 N -0.06 -0.59 0.00 0.99 1.43 -1.26 -5.15 118.68 114.04 1ehx s LEU 93 Ca 0.00 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1ehx s LEU 93 Cb 0.00 1.24 0.00 0.00 0.03 0.00 0.00 46.19 47.46 1ehx s LEU 93 CO 0.00 -0.23 0.00 -0.62 0.23 0.00 0.00 176.35 175.73