#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 0.44 -0.50 3.17 1.11 -1.26 -5.08 119.66 117.54 1ehx s GLN 2 Ca 0.00 -0.85 0.06 0.00 0.01 0.00 0.00 55.36 54.58 1ehx s GLN 2 Cb 0.00 0.15 0.38 0.00 -1.01 0.00 0.00 33.01 32.53 1ehx s GLN 2 CO 0.00 -0.08 1.01 -0.40 0.01 0.00 0.00 175.29 175.84 1ehx n ASP 3 N 1.00 4.32 -4.77 5.90 5.68 -1.26 -5.08 116.55 122.34 1ehx n ASP 3 Ca -0.20 -3.64 -0.38 0.00 -0.50 0.00 0.00 54.79 50.07 1ehx n ASP 3 Cb 0.57 -0.52 -0.05 0.00 -1.14 0.00 0.00 41.12 39.99 1ehx n ASP 3 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1ehx s PRO 4 N -3.45 4.47 -0.35 0.11 0.04 -1.26 -4.74 135.00 129.82 1ehx s PRO 4 Ca 0.47 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 63.03 1ehx s PRO 4 Cb 0.34 -2.85 0.12 0.00 0.04 0.00 0.00 34.50 32.15 1ehx s PRO 4 CO -0.15 0.14 0.16 0.99 0.04 0.00 0.00 177.00 178.17 1ehx s THR 5 N -1.48 0.69 0.46 1.26 2.01 -0.66 -4.97 115.64 112.96 1ehx s THR 5 Ca 0.51 -1.63 0.06 0.00 0.31 0.00 0.00 61.69 60.94 1ehx s THR 5 Cb -0.24 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 1ehx s THR 5 CO 0.30 -0.80 0.19 0.27 -0.69 0.00 0.00 174.62 173.90 1ehx s ILE 6 N 1.29 1.95 0.98 1.82 -4.36 -1.26 0.63 121.20 122.26 1ehx s ILE 6 Ca 0.13 -1.71 -0.25 0.00 -0.26 0.00 0.00 60.65 58.56 1ehx s ILE 6 Cb -0.20 -2.66 -0.19 0.00 1.25 0.00 0.00 42.46 40.66 1ehx s ILE 6 CO -0.16 0.00 -1.38 -0.46 0.24 0.00 0.00 174.94 173.18 1ehx n ASN 7 N -1.35 -3.54 -3.98 4.36 2.04 -1.18 -4.85 115.26 106.76 1ehx n ASN 7 Ca -0.04 0.04 -0.29 0.00 -0.44 0.00 0.00 54.58 53.85 1ehx n ASN 7 Cb 0.65 -0.54 0.09 0.00 -2.53 0.00 0.00 39.78 37.45 1ehx n ASN 7 CO 0.00 0.00 0.00 -2.65 -0.44 0.00 0.00 177.26 174.17 1ehx n PRO 8 N 2.44 -0.84 -0.04 -0.53 -0.02 -1.26 -4.94 135.00 129.81 1ehx n PRO 8 Ca -0.02 -0.24 0.02 0.00 -2.02 0.00 0.00 63.50 61.24 1ehx n PRO 8 Cb 0.70 -1.27 0.04 0.00 -0.02 0.00 0.00 33.50 32.95 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 -3.85 0.66 -3.64 3.45 -1.04 -1.26 -4.51 114.28 104.09 1ehx n THR 9 Ca 0.00 -0.83 -0.10 0.00 -2.04 0.00 0.00 64.05 61.08 1ehx n THR 9 Cb 0.56 0.70 -0.07 0.00 -1.82 0.00 0.00 70.33 69.70 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 -0.78 -0.79 0.19 8.00 0.01 -1.26 -0.60 113.70 118.47 1ehx s SER 10 Ca 0.07 1.39 -0.16 0.00 1.31 0.00 0.00 55.95 58.56 1ehx s SER 10 Cb 0.04 1.37 0.02 0.00 0.21 0.00 0.00 66.02 67.66 1ehx s SER 10 CO 0.06 -0.23 0.48 0.27 0.41 0.00 0.00 173.24 174.22 1ehx s ILE 11 N 0.93 0.03 -0.02 1.44 -4.36 0.10 -4.90 121.20 114.43 1ehx s ILE 11 Ca -0.04 -0.89 -0.01 0.00 -0.26 0.00 0.00 60.65 59.45 1ehx s ILE 11 Cb -0.05 -1.62 0.01 0.00 1.25 0.00 0.00 42.46 42.05 1ehx s ILE 11 CO -0.09 -0.16 0.05 -0.44 0.24 0.00 0.00 174.94 174.54 1ehx s SER 12 N -2.89 -0.03 -0.22 4.36 0.01 -1.26 -0.96 113.70 112.71 1ehx s SER 12 Ca 0.10 0.09 -0.28 0.00 1.31 0.00 0.00 55.95 57.17 1ehx s SER 12 Cb -0.00 0.07 0.14 0.00 0.21 0.00 0.00 66.02 66.44 1ehx s SER 12 CO -0.03 -0.04 1.08 0.00 0.41 0.00 0.00 173.24 174.67 1ehx s ALA 13 N 0.24 -1.99 0.38 1.44 0.00 0.78 -4.90 121.76 117.71 1ehx s ALA 13 Ca -0.02 1.70 -0.26 0.00 0.00 0.00 0.00 51.96 53.38 1ehx s ALA 13 Cb -0.03 -1.07 -0.09 0.00 0.00 0.00 0.00 23.12 21.94 1ehx s ALA 13 CO -0.01 -0.27 1.18 0.21 0.00 0.00 0.00 175.76 176.88 1ehx s LYS 14 N -0.68 4.16 -0.47 0.00 2.20 -1.26 -1.29 119.74 122.40 1ehx s LYS 14 Ca 0.01 1.90 -0.29 0.00 -0.36 0.00 0.00 55.97 57.23 1ehx s LYS 14 Cb -0.02 -2.79 -0.09 0.00 -1.51 0.00 0.00 37.83 33.42 1ehx s LYS 14 CO -0.03 -0.25 2.37 0.00 -0.36 0.00 0.00 175.35 177.09 1ehx n ALA 15 N 0.30 1.00 0.00 3.13 0.00 0.01 0.47 120.51 125.42 1ehx n ALA 15 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1ehx n ALA 15 Cb 0.46 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 16.98 1ehx n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ehx n GLY 16 N 6.12 3.81 0.22 0.00 0.00 -1.26 -4.68 105.19 109.39 1ehx n GLY 16 Ca 0.40 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.28 -4.20 1.61 3.41 0.18 -4.31 113.62 110.59 1ehx n SER 17 Ca 0.00 -1.29 -0.44 0.00 -0.26 0.00 0.00 58.87 56.88 1ehx n SER 17 Cb 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.20 4.02 -1.67 7.33 3.72 -1.24 -4.78 117.46 124.63 1ehx n PHE 18 Ca 0.00 -3.28 -0.33 0.00 -0.05 0.00 0.00 57.45 53.79 1ehx n PHE 18 Cb 0.07 -1.67 0.06 0.00 -0.94 0.00 0.00 39.48 37.00 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 -1.12 2.40 -0.36 4.37 0.00 -1.26 -3.18 121.76 122.60 1ehx s ALA 19 Ca 0.34 0.56 -0.32 0.00 0.00 0.00 0.00 51.96 52.54 1ehx s ALA 19 Cb -0.02 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.63 1ehx s ALA 19 CO 0.00 -1.40 1.47 -3.47 0.00 0.00 0.00 175.76 172.37 1ehx n ASP 20 N -2.56 0.61 -4.20 0.00 2.03 -1.26 -4.55 116.55 106.62 1ehx n ASP 20 Ca 0.11 0.57 -0.39 0.00 0.52 0.00 0.00 54.79 55.59 1ehx n ASP 20 Cb 0.52 -0.65 -0.10 0.00 -0.72 0.00 0.00 41.12 40.17 1ehx n ASP 20 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ehx s THR 21 N 3.91 3.93 0.70 5.18 2.01 0.05 -4.90 115.64 126.51 1ehx s THR 21 Ca 0.85 -1.74 -0.13 0.00 0.31 0.00 0.00 61.69 60.97 1ehx s THR 21 Cb -1.09 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 67.89 1ehx s THR 21 CO 0.50 -0.66 1.11 -1.59 -0.69 0.00 0.00 174.62 173.29 1ehx s LYS 22 N 1.32 2.59 -0.01 4.92 0.00 -1.26 0.54 119.74 127.84 1ehx s LYS 22 Ca 0.05 1.32 -0.07 0.00 0.00 0.00 0.00 55.97 57.28 1ehx s LYS 22 Cb -0.24 -1.93 0.00 0.00 0.00 0.00 0.00 37.83 35.66 1ehx s LYS 22 CO -0.01 -1.40 0.14 0.42 0.00 0.00 0.00 175.35 174.49 1ehx s ILE 23 N -2.53 0.06 -0.34 3.79 1.01 0.69 -4.84 121.20 119.04 1ehx s ILE 23 Ca 0.65 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.79 1ehx s ILE 23 Cb -0.20 -0.38 0.10 0.00 0.01 0.00 0.00 42.46 42.00 1ehx s ILE 23 CO 0.47 -0.30 0.09 0.28 0.00 0.00 0.00 174.94 175.48 1ehx s THR 24 N -1.04 1.78 -0.80 2.92 -1.32 -1.26 -1.37 115.64 114.54 1ehx s THR 24 Ca -0.11 -2.09 -0.25 0.00 -1.21 0.00 0.00 61.69 58.02 1ehx s THR 24 Cb -0.06 -2.32 0.04 0.00 -1.51 0.00 0.00 72.50 68.66 1ehx s THR 24 CO 0.01 -0.65 1.28 -0.76 -2.21 0.00 0.00 174.62 172.29 1ehx s LEU 25 N 1.05 3.42 -0.32 9.08 1.43 0.54 -3.08 118.68 130.80 1ehx s LEU 25 Ca 0.11 -0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 52.14 1ehx s LEU 25 Cb -0.19 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 1ehx s LEU 25 CO -0.13 -1.70 1.66 -0.89 0.23 0.00 0.00 176.35 175.53 1ehx s THR 26 N 5.30 3.63 -2.41 5.49 2.01 0.21 -4.31 115.64 125.55 1ehx s THR 26 Ca 0.36 0.66 0.24 0.00 0.31 0.00 0.00 61.69 63.26 1ehx s THR 26 Cb -0.07 -3.79 0.48 0.00 0.01 0.00 0.00 72.50 69.14 1ehx s THR 26 CO 0.08 -0.46 1.61 -0.81 -0.69 0.00 0.00 174.62 174.35 1ehx n PRO 27 N 8.16 1.76 -0.76 4.92 -0.04 -1.26 -1.65 135.00 146.13 1ehx n PRO 27 Ca 0.20 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 1ehx n PRO 27 Cb 0.47 -1.44 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 0.36 -0.65 0.00 3.54 2.85 -1.26 0.35 115.26 120.44 1ehx n ASN 28 Ca 0.17 -0.44 0.00 0.00 -0.11 0.00 0.00 54.58 54.21 1ehx n ASN 28 Cb 0.36 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.38 1ehx n ASN 28 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ehx n GLY 29 N 2.82 1.79 3.76 8.20 0.00 -1.26 -4.79 105.19 115.71 1ehx n GLY 29 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.70 4.66 0.13 1.61 0.01 1.07 -4.96 114.94 116.77 1ehx s ASN 30 Ca 0.00 -0.87 0.04 0.00 -0.71 0.00 0.00 52.86 51.33 1ehx s ASN 30 Cb 0.00 -0.62 -0.04 0.00 0.41 0.00 0.00 41.25 41.00 1ehx s ASN 30 CO 0.00 -0.44 -0.10 0.28 -1.51 0.00 0.00 177.10 175.32 1ehx s THR 31 N -2.49 1.11 0.18 1.60 -1.32 -1.26 -4.08 115.64 109.38 1ehx s THR 31 Ca 0.41 -1.91 0.10 0.00 -1.21 0.00 0.00 61.69 59.08 1ehx s THR 31 Cb -0.01 -1.68 -0.04 0.00 -1.51 0.00 0.00 72.50 69.26 1ehx s THR 31 CO 0.24 -0.67 -0.21 0.12 -2.21 0.00 0.00 174.62 171.89 1ehx s PHE 32 N -2.98 2.06 0.01 9.09 5.36 -1.26 -4.25 117.98 126.01 1ehx s PHE 32 Ca 0.13 -0.41 -0.01 0.00 -0.96 0.00 0.00 56.93 55.68 1ehx s PHE 32 Cb 0.00 -1.01 -0.00 0.00 -0.34 0.00 0.00 43.02 41.67 1ehx s PHE 32 CO 0.00 0.43 -0.01 -1.71 -1.46 0.00 0.00 175.22 172.47 1ehx n ASN 33 N 0.22 0.26 -3.65 6.13 2.85 0.52 -4.91 115.26 116.69 1ehx n ASN 33 Ca -0.12 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1ehx n ASN 33 Cb 0.57 -0.14 -0.00 0.00 1.24 0.00 0.00 39.78 41.44 1ehx n ASN 33 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1ehx s GLY 34 N -3.24 -0.34 -0.57 8.20 0.00 -1.25 -4.98 107.32 105.13 1ehx s GLY 34 Ca -0.01 0.51 -0.10 0.00 0.00 0.00 0.00 44.72 45.12 1ehx s GLY 34 CO 0.01 0.48 0.45 -0.42 0.00 0.00 0.00 173.10 173.63 1ehx s ILE 35 N -2.57 4.49 0.43 0.90 1.01 -1.26 -1.24 121.20 122.96 1ehx s ILE 35 Ca 0.15 -2.06 0.14 0.00 0.00 0.00 0.00 60.65 58.88 1ehx s ILE 35 Cb 0.03 -3.90 0.17 0.00 0.01 0.00 0.00 42.46 38.76 1ehx s ILE 35 CO -0.02 -0.85 1.96 0.77 0.00 0.00 0.00 174.94 176.80 1ehx h SER 36 N 8.16 0.02 -0.59 3.58 4.64 -1.96 -0.19 113.55 127.21 1ehx h SER 36 Ca -0.13 -0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.35 1ehx h SER 36 Cb 1.05 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 1ehx h SER 36 CO 0.84 0.23 0.54 -0.08 -0.87 0.00 0.00 176.83 177.49 1ehx h GLU 37 N 0.02 0.00 -2.01 4.77 4.81 -1.81 -3.24 114.58 117.11 1ehx h GLU 37 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 1ehx h GLU 37 Cb 0.38 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 29.45 1ehx h GLU 37 CO 0.03 0.00 -0.67 -0.48 -0.73 0.00 0.00 179.01 177.16 1ehx s LEU 38 N -7.77 -0.14 -0.58 1.64 0.05 -0.09 -4.92 118.68 106.87 1ehx s LEU 38 Ca -0.04 -1.26 -0.10 0.00 0.05 0.00 0.00 54.13 52.78 1ehx s LEU 38 Cb 0.17 0.56 -0.17 0.00 -2.05 0.00 0.00 46.19 44.70 1ehx s LEU 38 CO 0.62 -0.31 1.35 1.67 -0.55 0.00 0.00 176.35 179.13 1ehx n GLN 39 N 4.64 0.00 0.00 1.48 7.27 -1.16 -4.38 117.38 125.23 1ehx n GLN 39 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.13 1ehx n GLN 39 Cb 0.46 -0.68 0.00 0.00 2.41 0.00 0.00 30.24 32.43 1ehx n GLN 39 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1ehx n SER 40 N 4.16 0.00 0.09 1.69 2.88 -1.21 0.39 113.62 121.62 1ehx n SER 40 Ca 0.39 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 58.12 1ehx n SER 40 Cb 0.06 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.16 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 0.02 -3.46 0.87 -1.93 0.56 113.55 109.61 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 -0.02 1.56 -0.53 0.00 0.00 176.83 177.84 1ehx h GLN 42 N 0.00 0.00 0.00 2.24 1.08 -0.26 -3.44 115.11 114.72 1ehx h GLN 42 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1ehx h GLN 42 Cb 1.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.89 1ehx h GLN 42 CO -0.00 0.02 0.00 2.48 -0.95 0.00 0.00 178.83 180.38 1ehx n TYR 43 N -4.48 0.00 -3.89 2.96 0.18 0.20 -3.07 117.16 109.05 1ehx n TYR 43 Ca -0.03 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.46 1ehx n TYR 43 Cb 0.11 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 38.93 1ehx n TYR 43 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1ehx s THR 44 N -1.09 2.43 0.79 -3.48 2.01 0.43 -4.87 115.64 111.86 1ehx s THR 44 Ca 0.00 -3.41 -0.10 0.00 0.31 0.00 0.00 61.69 58.49 1ehx s THR 44 Cb 0.00 -2.67 0.07 0.00 0.01 0.00 0.00 72.50 69.91 1ehx s THR 44 CO 0.00 -0.87 1.10 -1.59 -0.69 0.00 0.00 174.62 172.57 1ehx s LYS 45 N -0.45 2.12 -0.41 4.92 0.00 -1.26 -0.00 119.74 124.65 1ehx s LYS 45 Ca 0.19 1.20 -0.01 0.00 0.00 0.00 0.00 55.97 57.35 1ehx s LYS 45 Cb -0.20 -1.88 0.21 0.00 0.00 0.00 0.00 37.83 35.96 1ehx s LYS 45 CO -0.04 -1.75 0.97 0.41 0.00 0.00 0.00 175.35 174.94 1ehx n GLY 46 N -1.07 -1.22 0.04 0.59 0.00 0.47 -4.82 105.19 99.19 1ehx n GLY 46 Ca 0.09 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 2.58 0.00 -0.50 2.61 -1.04 -1.26 0.15 114.28 116.82 1ehx n THR 47 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1ehx n THR 47 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 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 0.82 0.00 -4.07 8.00 3.02 -1.26 -5.00 115.26 116.77 1ehx n ASN 48 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 1ehx n ASN 48 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.20 0.69 -0.06 3.52 2.02 0.12 0.20 118.70 124.99 1ehx s GLU 49 Ca 0.00 -1.21 -0.30 0.00 0.02 0.00 0.00 54.97 53.47 1ehx s GLU 49 Cb 0.00 0.23 0.08 0.00 0.10 0.00 0.00 34.13 34.55 1ehx s GLU 49 CO 0.00 -0.15 0.75 0.54 0.02 0.00 0.00 175.26 176.41 1ehx s VAL 50 N -3.93 0.00 -0.06 2.63 0.11 -0.47 0.18 120.40 118.86 1ehx s VAL 50 Ca 0.09 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.12 1ehx s VAL 50 Cb 0.07 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1ehx s VAL 50 CO -0.09 0.00 0.03 -0.89 -3.33 0.00 0.00 175.10 170.82 1ehx s THR 51 N -1.40 0.15 0.16 5.04 2.01 1.00 0.25 115.64 122.85 1ehx s THR 51 Ca -0.08 0.26 -0.31 0.00 0.31 0.00 0.00 61.69 61.88 1ehx s THR 51 Cb -0.00 -0.35 -0.09 0.00 0.01 0.00 0.00 72.50 72.07 1ehx s THR 51 CO 0.06 0.22 1.39 -0.76 -0.69 0.00 0.00 174.62 174.84 1ehx s LEU 52 N 2.05 4.38 -0.41 4.42 1.02 0.19 0.16 118.68 130.49 1ehx s LEU 52 Ca 0.05 2.41 -0.13 0.00 0.02 0.00 0.00 54.13 56.47 1ehx s LEU 52 Cb -0.12 -3.60 0.04 0.00 0.02 0.00 0.00 46.19 42.53 1ehx s LEU 52 CO -0.04 -0.64 0.29 -0.76 0.02 0.00 0.00 176.35 175.22 1ehx s LEU 53 N 0.60 5.11 0.52 1.79 1.43 -1.18 -0.77 118.68 126.19 1ehx s LEU 53 Ca 0.62 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1ehx s LEU 53 Cb -0.38 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1ehx s LEU 53 CO 0.34 -0.48 0.84 0.00 0.23 0.00 0.00 176.35 177.27 1ehx n ALA 54 N 5.10 0.00 -0.03 4.21 0.00 -1.19 0.47 120.51 129.07 1ehx n ALA 54 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1ehx n ALA 54 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 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 0.12 0.49 0.00 0.87 -1.92 -0.09 113.55 113.02 1ehx h SER 55 Ca 0.00 -0.50 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 1ehx h SER 55 Cb 1.67 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 1ehx h SER 55 CO 0.00 0.60 -0.23 0.22 -0.53 0.00 0.00 176.83 176.89 1ehx h TYR 56 N -0.35 -0.61 -0.87 2.24 3.20 -0.22 -2.46 116.97 117.90 1ehx h TYR 56 Ca 0.01 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.09 1ehx h TYR 56 Cb 0.57 0.20 -0.14 0.00 1.54 0.00 0.00 36.73 38.90 1ehx h TYR 56 CO 0.10 -0.38 0.24 1.25 -1.64 0.00 0.00 178.16 177.73 1ehx h LEU 57 N -1.12 0.02 -1.63 2.82 5.85 -1.63 1.44 115.31 121.05 1ehx h LEU 57 Ca -0.07 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1ehx h LEU 57 Cb 0.50 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1ehx h LEU 57 CO 0.11 -0.14 -0.20 -1.13 -0.34 0.00 0.00 178.44 176.73 1ehx h ASN 58 N 0.22 0.00 1.38 1.25 -0.00 -1.03 -2.28 115.58 115.12 1ehx h ASN 58 Ca 0.55 0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 56.72 1ehx h ASN 58 Cb 1.09 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.40 1ehx h ASN 58 CO -0.64 0.20 -0.62 0.74 -0.00 0.00 0.00 177.43 177.11 1ehx h THR 59 N 0.00 1.04 -1.86 -3.57 2.02 0.24 -3.36 112.91 107.42 1ehx h THR 59 Ca -0.00 -2.48 -0.53 0.00 0.77 0.00 0.00 66.41 64.17 1ehx h THR 59 Cb 0.44 2.51 0.20 0.00 -1.74 0.00 0.00 68.15 69.57 1ehx h THR 59 CO 0.03 0.59 -1.50 0.18 0.37 0.00 0.00 175.52 175.19 1ehx n LEU 60 N -3.25 -4.83 0.00 2.58 4.77 0.13 -4.92 117.00 111.48 1ehx n LEU 60 Ca 0.01 0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1ehx n LEU 60 Cb 0.78 -0.74 0.13 0.00 -2.33 0.00 0.00 43.42 41.26 1ehx n LEU 60 CO 0.42 -5.21 0.15 -0.81 -1.33 0.00 0.00 177.39 170.61 1ehx n PRO 61 N 1.99 -2.76 0.00 3.23 -0.04 -1.26 -4.95 135.00 131.20 1ehx n PRO 61 Ca 0.01 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1ehx n PRO 61 Cb 0.49 -0.87 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 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 -3.22 0.01 -0.94 0.54 0.28 -1.26 -4.56 120.64 111.50 1ehx n GLU 62 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1ehx n GLU 62 Cb 0.26 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.13 1ehx n GLU 62 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1ehx n ASN 63 N -1.51 -1.03 -4.45 -1.84 6.94 -1.16 -4.69 115.26 107.52 1ehx n ASN 63 Ca 0.00 -0.55 -0.22 0.00 -0.02 0.00 0.00 54.58 53.79 1ehx n ASN 63 Cb 0.00 -0.05 -0.10 0.00 -2.36 0.00 0.00 39.78 37.26 1ehx n ASN 63 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ehx s THR 64 N 2.55 1.67 -0.65 5.53 -4.23 0.57 -4.94 115.64 116.14 1ehx s THR 64 Ca 0.00 -2.11 0.04 0.00 -1.18 0.00 0.00 61.69 58.44 1ehx s THR 64 Cb 0.00 -2.53 0.16 0.00 1.34 0.00 0.00 72.50 71.47 1ehx s THR 64 CO 0.00 -0.25 0.43 -0.89 -0.54 0.00 0.00 174.62 173.37 1ehx s THR 65 N -2.99 2.84 1.17 3.99 2.01 -1.26 0.16 115.64 121.56 1ehx s THR 65 Ca 0.31 -3.98 -0.16 0.00 0.31 0.00 0.00 61.69 58.17 1ehx s THR 65 Cb 0.04 -2.89 0.27 0.00 0.01 0.00 0.00 72.50 69.93 1ehx s THR 65 CO 0.13 -0.94 1.05 -0.75 -0.69 0.00 0.00 174.62 173.42 1ehx s LYS 66 N -1.10 -0.93 -0.09 4.92 2.20 0.41 -4.69 119.74 120.46 1ehx s LYS 66 Ca 0.22 0.40 -0.05 0.00 -0.36 0.00 0.00 55.97 56.18 1ehx s LYS 66 Cb -0.11 -1.59 0.04 0.00 -1.51 0.00 0.00 37.83 34.65 1ehx s LYS 66 CO -0.11 -3.62 0.21 0.99 -0.36 0.00 0.00 175.35 172.46 1ehx s THR 67 N -2.72 -0.03 -1.16 3.43 2.01 -1.26 0.15 115.64 116.06 1ehx s THR 67 Ca 0.68 0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.70 1ehx s THR 67 Cb -0.18 -0.32 0.24 0.00 0.01 0.00 0.00 72.50 72.25 1ehx s THR 67 CO 0.59 0.04 1.41 0.18 -0.69 0.00 0.00 174.62 176.16 1ehx n LEU 68 N 3.80 5.87 -4.56 4.42 4.32 0.24 -4.57 117.00 126.52 1ehx n LEU 68 Ca -0.21 -4.88 -0.27 0.00 -0.02 0.00 0.00 56.01 50.62 1ehx n LEU 68 Cb 0.55 -1.46 -0.05 0.00 -1.62 0.00 0.00 43.42 40.83 1ehx n LEU 68 CO 0.17 1.30 1.35 -0.89 -1.22 0.00 0.00 177.39 178.09 1ehx s THR 69 N -0.73 3.46 -0.45 -5.08 2.01 -1.26 -1.50 115.64 112.09 1ehx s THR 69 Ca 0.35 -0.40 -0.28 0.00 0.31 0.00 0.00 61.69 61.68 1ehx s THR 69 Cb -0.01 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1ehx s THR 69 CO 0.00 -0.97 1.75 -0.36 -0.69 0.00 0.00 174.62 174.35 1ehx s PHE 70 N 9.99 1.86 -0.59 4.92 0.08 -1.18 -4.08 117.98 128.98 1ehx s PHE 70 Ca 0.69 0.68 -0.27 0.00 0.12 0.00 0.00 56.93 58.16 1ehx s PHE 70 Cb -0.06 -4.15 -0.02 0.00 -0.57 0.00 0.00 43.02 38.21 1ehx s PHE 70 CO -0.01 -2.55 1.89 0.34 -0.10 0.00 0.00 175.22 174.79 1ehx s ASP 71 N 6.44 5.26 -0.41 1.36 2.15 -0.38 -4.33 116.67 126.76 1ehx s ASP 71 Ca 0.72 0.43 0.06 0.00 0.43 0.00 0.00 52.55 54.19 1ehx s ASP 71 Cb -0.17 -2.53 0.67 0.00 -0.30 0.00 0.00 42.92 40.59 1ehx s ASP 71 CO 0.29 -2.37 1.86 0.49 -0.17 0.00 0.00 175.17 175.26 1ehx n PHE 72 N 12.79 2.76 0.00 -5.34 3.01 -1.26 -0.35 117.46 129.07 1ehx n PHE 72 Ca 0.21 -1.68 0.00 0.00 1.01 0.00 0.00 57.45 57.00 1ehx n PHE 72 Cb 0.52 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 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 -0.92 3.05 0.22 1.37 0.00 -1.26 -4.59 105.19 103.05 1ehx n GLY 73 Ca 0.53 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.59 1.35 0.00 1.61 0.24 -1.26 -4.99 118.33 113.69 1ehx n VAL 74 Ca 0.00 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1ehx n VAL 74 Cb 0.00 -1.75 0.00 0.00 -1.47 0.00 0.00 33.84 30.62 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 1.61 1.31 0.20 7.63 0.00 -1.26 -4.61 105.19 110.08 1ehx n GLY 75 Ca -0.47 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.33 2.61 2.02 -1.97 -2.26 112.91 112.99 1ehx h THR 76 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ehx h THR 76 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1ehx h THR 76 CO 0.00 0.00 0.00 2.29 0.37 0.00 0.00 175.52 178.18 1ehx n LYS 77 N -3.69 2.08 -1.52 6.66 -0.00 -1.26 -4.93 118.16 115.50 1ehx n LYS 77 Ca -0.04 -1.30 -0.32 0.00 -0.00 0.00 0.00 58.31 56.65 1ehx n LYS 77 Cb 0.17 -1.43 0.07 0.00 -0.00 0.00 0.00 35.03 33.84 1ehx n LYS 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ehx s ASN 78 N -0.83 4.73 -0.79 -5.58 2.20 -0.85 -4.92 114.94 108.91 1ehx s ASN 78 Ca 0.24 1.98 -0.26 0.00 -0.94 0.00 0.00 52.86 53.88 1ehx s ASN 78 Cb 0.14 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 36.85 1ehx s ASN 78 CO 0.13 -1.88 1.61 -2.84 -2.94 0.00 0.00 177.10 171.18 1ehx s PRO 79 N -4.37 2.98 -0.54 3.55 0.02 -1.26 -4.92 135.00 130.47 1ehx s PRO 79 Ca 0.66 -0.17 -0.25 0.00 0.02 0.00 0.00 61.00 61.26 1ehx s PRO 79 Cb -0.20 -4.64 0.04 0.00 0.02 0.00 0.00 34.50 29.72 1ehx s PRO 79 CO 0.47 -2.57 0.95 0.15 -0.33 0.00 0.00 177.00 175.68 1ehx s LYS 80 N 6.22 3.38 -1.04 5.54 3.01 -1.26 -3.11 119.74 132.47 1ehx s LYS 80 Ca 0.53 -0.16 -0.20 0.00 -1.01 0.00 0.00 55.97 55.14 1ehx s LYS 80 Cb -0.08 -4.03 0.09 0.00 -1.01 0.00 0.00 37.83 32.81 1ehx s LYS 80 CO 0.09 -1.45 1.37 -1.17 0.51 0.00 0.00 175.35 174.69 1ehx s LEU 81 N 3.98 4.27 -0.22 3.17 2.96 -0.56 -4.37 118.68 127.91 1ehx s LEU 81 Ca 0.32 -1.95 -0.29 0.00 -0.22 0.00 0.00 54.13 51.99 1ehx s LEU 81 Cb -0.12 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 1ehx s LEU 81 CO 0.21 -1.23 1.65 0.28 -1.32 0.00 0.00 176.35 175.94 1ehx s THR 82 N 3.70 3.64 -0.25 3.68 -1.32 0.23 0.79 115.64 126.11 1ehx s THR 82 Ca 0.42 0.72 -0.08 0.00 -1.21 0.00 0.00 61.69 61.54 1ehx s THR 82 Cb -0.02 -3.67 -0.03 0.00 -1.51 0.00 0.00 72.50 67.27 1ehx s THR 82 CO -0.07 -0.29 0.10 -0.51 -2.21 0.00 0.00 174.62 171.64 1ehx s ILE 83 N 5.38 4.60 -0.53 5.08 2.07 0.40 0.01 121.20 138.20 1ehx s ILE 83 Ca 0.73 -0.08 -0.20 0.00 -1.41 0.00 0.00 60.65 59.69 1ehx s ILE 83 Cb -0.25 -3.16 0.06 0.00 0.13 0.00 0.00 42.46 39.24 1ehx s ILE 83 CO 0.30 0.33 0.73 -0.89 -1.91 0.00 0.00 174.94 173.49 1ehx s THR 84 N 1.56 4.72 -0.57 4.00 2.01 -0.13 0.15 115.64 127.39 1ehx s THR 84 Ca 0.06 -0.36 -0.23 0.00 0.31 0.00 0.00 61.69 61.48 1ehx s THR 84 Cb -0.15 -4.40 0.05 0.00 0.01 0.00 0.00 72.50 68.01 1ehx s THR 84 CO 0.05 -0.95 0.89 -0.69 -0.69 0.00 0.00 174.62 173.23 1ehx s VAL 85 N 3.03 4.46 0.64 3.82 1.01 0.41 -0.15 120.40 133.61 1ehx s VAL 85 Ca 0.19 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 1ehx s VAL 85 Cb -0.18 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 1ehx s VAL 85 CO 0.13 -1.14 1.04 -0.76 0.00 0.00 0.00 175.10 174.37 1ehx s LEU 86 N 3.74 3.24 0.07 3.92 1.43 -0.41 -0.31 118.68 130.35 1ehx s LEU 86 Ca 0.26 1.51 -0.31 0.00 -1.03 0.00 0.00 54.13 54.56 1ehx s LEU 86 Cb -0.15 -4.48 -0.06 0.00 0.03 0.00 0.00 46.19 41.53 1ehx s LEU 86 CO 0.16 -1.04 1.22 -2.16 0.23 0.00 0.00 176.35 174.75 1ehx s PRO 87 N -5.02 4.43 0.99 1.29 0.04 -1.26 -0.81 135.00 134.65 1ehx s PRO 87 Ca 0.57 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 63.24 1ehx s PRO 87 Cb -0.12 -3.33 -0.10 0.00 0.04 0.00 0.00 34.50 30.99 1ehx s PRO 87 CO 0.52 -0.26 -0.54 1.63 0.04 0.00 0.00 177.00 178.39 1ehx n LYS 88 N 3.85 -0.11 -2.11 4.56 5.02 -1.26 -4.77 118.16 123.35 1ehx n LYS 88 Ca 0.09 -0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.93 1ehx n LYS 88 Cb 0.46 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 34.22 1ehx n LYS 88 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1ehx s ASP 89 N -1.27 6.21 0.31 4.39 1.47 -1.26 -5.00 116.67 121.53 1ehx s ASP 89 Ca 0.44 1.40 0.08 0.00 1.18 0.00 0.00 52.55 55.65 1ehx s ASP 89 Cb -0.17 -2.53 -0.04 0.00 -0.34 0.00 0.00 42.92 39.84 1ehx s ASP 89 CO 0.78 -1.44 0.15 0.27 0.68 0.00 0.00 175.17 175.61 1ehx s ILE 90 N 5.80 3.40 -0.07 2.11 -5.25 -1.26 -5.08 121.20 120.86 1ehx s ILE 90 Ca 0.73 -1.64 -0.30 0.00 -0.99 0.00 0.00 60.65 58.45 1ehx s ILE 90 Cb -0.22 -3.05 -0.05 0.00 2.95 0.00 0.00 42.46 42.09 1ehx s ILE 90 CO 0.31 -0.24 1.50 -2.16 -1.79 0.00 0.00 174.94 172.56 1ehx s PRO 91 N -3.84 4.21 0.00 0.37 0.04 -1.26 -3.62 135.00 130.91 1ehx s PRO 91 Ca 0.36 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1ehx s PRO 91 Cb -0.05 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1ehx s PRO 91 CO 0.23 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1ehx n GLY 92 N 3.90 1.88 3.37 0.56 0.00 -1.26 -5.09 105.19 108.54 1ehx n GLY 92 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 1ehx n GLY 92 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ehx s LEU 93 N 0.00 5.64 0.00 0.99 0.05 -1.24 -5.28 118.68 118.84 1ehx s LEU 93 Ca 0.00 -1.44 0.00 0.00 0.05 0.00 0.00 54.13 52.74 1ehx s LEU 93 Cb 0.00 -2.26 0.00 0.00 -2.05 0.00 0.00 46.19 41.88 1ehx s LEU 93 CO 0.00 -0.87 0.22 -0.62 -0.55 0.00 0.00 176.35 174.53