#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdx n GLU 6 N 0.00 -3.91 -1.62 -0.52 -0.58 -1.26 -4.76 120.64 107.99 1wdx n GLU 6 Ca 0.00 2.98 -0.38 0.00 -0.42 0.00 0.00 57.16 59.33 1wdx n GLU 6 Cb 0.00 -4.07 0.04 0.00 -0.57 0.00 0.00 31.44 26.84 1wdx n GLU 6 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1wdx n VAL 7 N 1.92 3.45 -3.15 2.62 0.31 -1.26 -4.25 118.33 117.96 1wdx n VAL 7 Ca -0.30 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.17 1wdx n VAL 7 Cb 0.46 -1.18 -0.06 0.00 -0.91 0.00 0.00 33.84 32.15 1wdx n VAL 7 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wdx s PRO 8 N -2.62 4.20 0.22 5.55 0.04 -1.26 -5.10 135.00 136.03 1wdx s PRO 8 Ca 0.73 0.79 0.05 0.00 0.04 0.00 0.00 61.00 62.61 1wdx s PRO 8 Cb -0.44 -2.89 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 1wdx s PRO 8 CO 0.49 0.41 -0.06 -0.59 0.04 0.00 0.00 177.00 177.29 1wdx s PHE 9 N -1.51 1.64 -0.00 0.56 -0.12 -1.03 -4.98 117.98 112.54 1wdx s PHE 9 Ca 0.42 -0.77 -0.15 0.00 -0.05 0.00 0.00 56.93 56.38 1wdx s PHE 9 Cb -0.16 -0.89 -0.06 0.00 -0.63 0.00 0.00 43.02 41.28 1wdx s PHE 9 CO 0.21 0.14 0.41 0.15 -0.05 0.00 0.00 175.22 176.07 1wdx s LYS 10 N -3.77 3.92 0.02 1.99 1.02 -1.26 -1.89 119.74 119.77 1wdx s LYS 10 Ca 0.25 0.41 0.01 0.00 0.02 0.00 0.00 55.97 56.66 1wdx s LYS 10 Cb 0.03 -3.22 -0.01 0.00 -0.52 0.00 0.00 37.83 34.11 1wdx s LYS 10 CO 0.08 0.69 -0.05 0.14 -0.92 0.00 0.00 175.35 175.28 1wdx s VAL 11 N -1.06 0.35 -0.13 3.17 -7.23 -0.71 -4.68 120.40 110.11 1wdx s VAL 11 Ca 0.24 -0.57 -0.03 0.00 -1.81 0.00 0.00 61.98 59.80 1wdx s VAL 11 Cb -0.17 -0.37 -0.03 0.00 0.56 0.00 0.00 36.38 36.37 1wdx s VAL 11 CO 0.13 -0.15 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.07 1wdx s VAL 12 N -0.70 4.14 0.01 1.32 1.01 -0.99 -1.15 120.40 124.05 1wdx s VAL 12 Ca -0.05 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1wdx s VAL 12 Cb -0.05 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.47 1wdx s VAL 12 CO -0.00 0.53 1.56 0.00 0.00 0.00 0.00 175.10 177.19 1wdx s ALA 13 N -0.08 3.63 -0.66 5.51 0.00 -0.53 -1.73 121.76 127.91 1wdx s ALA 13 Ca 0.03 1.00 0.23 0.00 0.00 0.00 0.00 51.96 53.23 1wdx s ALA 13 Cb -0.13 -3.67 0.15 0.00 0.00 0.00 0.00 23.12 19.47 1wdx s ALA 13 CO 0.02 -1.12 1.13 1.04 0.00 0.00 0.00 175.76 176.82 1wdx n GLN 14 N 5.98 0.26 -3.96 0.00 1.13 -0.86 0.07 117.38 120.00 1wdx n GLN 14 Ca 0.15 0.02 -0.08 0.00 -1.94 0.00 0.00 57.00 55.15 1wdx n GLN 14 Cb 0.42 -1.61 -0.09 0.00 0.11 0.00 0.00 30.24 29.08 1wdx n GLN 14 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1wdx s PHE 15 N -3.17 0.31 0.28 1.08 0.08 -1.12 -4.85 117.98 110.59 1wdx s PHE 15 Ca 0.05 -0.76 -0.28 0.00 0.12 0.00 0.00 56.93 56.06 1wdx s PHE 15 Cb 0.14 -0.21 -0.09 0.00 -0.57 0.00 0.00 43.02 42.29 1wdx s PHE 15 CO 0.77 -0.44 0.97 -1.25 -0.10 0.00 0.00 175.22 175.18 1wdx s PRO 16 N -3.61 4.70 -0.24 0.24 0.04 -1.26 -4.20 135.00 130.68 1wdx s PRO 16 Ca 0.04 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.58 1wdx s PRO 16 Cb 0.05 -3.08 0.06 0.00 0.04 0.00 0.00 34.50 31.56 1wdx s PRO 16 CO -0.09 0.36 -0.08 -0.47 0.04 0.00 0.00 177.00 176.76 1wdx s TYR 17 N -1.33 2.63 0.02 0.56 5.04 -0.76 -4.96 117.35 118.54 1wdx s TYR 17 Ca 0.45 -1.88 0.07 0.00 -2.44 0.00 0.00 57.07 53.27 1wdx s TYR 17 Cb -0.25 -1.68 -0.02 0.00 0.35 0.00 0.00 41.96 40.36 1wdx s TYR 17 CO 0.31 -0.80 -0.21 0.15 -1.34 0.00 0.00 175.55 173.66 1wdx s LYS 18 N 1.32 1.57 -0.08 4.97 3.01 -1.26 -2.32 119.74 126.95 1wdx s LYS 18 Ca -0.06 -0.87 -0.30 0.00 -1.01 0.00 0.00 55.97 53.73 1wdx s LYS 18 Cb -0.19 -1.62 0.11 0.00 -1.01 0.00 0.00 37.83 35.13 1wdx s LYS 18 CO -0.06 0.43 0.94 -1.54 0.51 0.00 0.00 175.35 175.62 1wdx s SER 19 N -0.88 -0.37 0.00 2.83 1.04 -1.26 -5.04 113.70 110.02 1wdx s SER 19 Ca 0.08 0.20 0.27 0.00 0.48 0.00 0.00 55.95 56.98 1wdx s SER 19 Cb -0.09 0.35 0.87 0.00 0.10 0.00 0.00 66.02 67.25 1wdx s SER 19 CO 0.01 -0.49 1.64 0.47 0.98 0.00 0.00 173.24 175.84 1wdx n ASP 20 N 0.22 1.10 -4.72 7.02 9.92 -1.26 -4.90 116.55 123.92 1wdx n ASP 20 Ca -0.09 -1.02 -0.41 0.00 -0.53 0.00 0.00 54.79 52.74 1wdx n ASP 20 Cb 0.60 0.09 -0.04 0.00 -0.64 0.00 0.00 41.12 41.12 1wdx n ASP 20 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1wdx s TYR 21 N -2.37 3.65 0.08 1.24 2.02 -1.26 -4.97 117.35 115.74 1wdx s TYR 21 Ca 0.28 1.48 0.11 0.00 -0.37 0.00 0.00 57.07 58.57 1wdx s TYR 21 Cb 0.20 -2.93 0.04 0.00 -0.40 0.00 0.00 41.96 38.87 1wdx s TYR 21 CO 0.47 0.10 1.42 1.05 -1.57 0.00 0.00 175.55 177.02 1wdx h GLU 22 N 6.47 0.00 0.00 -0.62 4.11 -2.02 -2.81 114.58 119.72 1wdx h GLU 22 Ca -0.42 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.97 1wdx h GLU 22 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1wdx h GLU 22 CO 0.74 0.75 -0.19 -0.44 0.07 0.00 0.00 179.01 179.94 1wdx h ASP 23 N 0.00 0.00 -4.20 3.06 3.32 -1.93 -3.46 116.42 113.21 1wdx h ASP 23 Ca -0.01 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1wdx h ASP 23 Cb 1.48 0.00 0.07 0.00 0.22 0.00 0.00 39.33 41.10 1wdx h ASP 23 CO 0.10 0.19 0.38 -1.81 -1.72 0.00 0.00 179.24 176.37 1wdx s ASP 24 N -6.13 5.66 -0.32 6.45 1.11 -1.06 -2.00 116.67 120.37 1wdx s ASP 24 Ca -0.00 1.84 -0.08 0.00 0.18 0.00 0.00 52.55 54.48 1wdx s ASP 24 Cb 0.11 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.57 1wdx s ASP 24 CO 0.62 -1.25 0.13 -0.22 1.18 0.00 0.00 175.17 175.63 1wdx s LEU 25 N -4.60 4.15 0.62 1.23 2.96 -0.69 -4.56 118.68 117.79 1wdx s LEU 25 Ca 0.64 -0.76 -0.11 0.00 -0.22 0.00 0.00 54.13 53.69 1wdx s LEU 25 Cb -0.17 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1wdx s LEU 25 CO 0.38 -0.25 1.02 0.20 -1.32 0.00 0.00 176.35 176.39 1wdx s ASN 26 N 1.53 6.14 -0.14 3.68 -0.87 -1.26 -4.69 114.94 119.34 1wdx s ASN 26 Ca 0.03 1.34 -0.32 0.00 -1.57 0.00 0.00 52.86 52.34 1wdx s ASN 26 Cb -0.18 -2.39 0.13 0.00 -0.02 0.00 0.00 41.25 38.79 1wdx s ASN 26 CO 0.04 -0.90 1.08 0.72 -2.57 0.00 0.00 177.10 175.47 1wdx s PHE 27 N -3.16 -0.24 0.66 2.20 -0.12 -0.98 -5.01 117.98 111.33 1wdx s PHE 27 Ca 0.55 0.24 -0.07 0.00 -0.05 0.00 0.00 56.93 57.59 1wdx s PHE 27 Cb -0.11 0.51 0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1wdx s PHE 27 CO 0.53 -0.32 0.98 -1.21 -0.05 0.00 0.00 175.22 175.15 1wdx s GLU 28 N -2.22 2.62 0.64 1.99 0.41 -1.26 -1.83 118.70 119.06 1wdx s GLU 28 Ca 0.06 -0.01 -0.18 0.00 -0.41 0.00 0.00 54.97 54.42 1wdx s GLU 28 Cb -0.01 -2.18 -0.01 0.00 -1.78 0.00 0.00 34.13 30.15 1wdx s GLU 28 CO -0.05 -0.97 1.28 0.21 -0.49 0.00 0.00 175.26 175.24 1wdx s LYS 29 N -5.16 2.58 -1.86 1.61 2.20 -1.26 -3.16 119.74 114.69 1wdx s LYS 29 Ca 0.57 2.02 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 1wdx s LYS 29 Cb -0.11 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.36 1wdx s LYS 29 CO 0.46 -1.56 0.00 -0.25 -0.36 0.00 0.00 175.35 173.64 1wdx n ASP 30 N -1.90 -5.27 -4.75 1.43 8.00 0.11 -4.93 116.55 109.24 1wdx n ASP 30 Ca 0.15 0.33 -0.40 0.00 0.71 0.00 0.00 54.79 55.59 1wdx n ASP 30 Cb 0.48 -4.38 -0.05 0.00 -0.02 0.00 0.00 41.12 37.15 1wdx n ASP 30 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1wdx s GLN 31 N -3.93 4.48 -0.38 -1.24 2.00 -1.19 -4.74 119.66 114.65 1wdx s GLN 31 Ca 0.00 1.04 -0.19 0.00 -2.00 0.00 0.00 55.36 54.20 1wdx s GLN 31 Cb 0.00 -3.35 0.01 0.00 0.80 0.00 0.00 33.01 30.47 1wdx s GLN 31 CO 0.00 0.32 0.57 -2.00 -0.50 0.00 0.00 175.29 173.68 1wdx s GLU 32 N -0.16 3.50 0.15 1.67 2.12 -1.26 -1.45 118.70 123.26 1wdx s GLU 32 Ca 0.37 -0.22 0.09 0.00 0.36 0.00 0.00 54.97 55.58 1wdx s GLU 32 Cb -0.20 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.28 1wdx s GLU 32 CO 0.23 -0.79 -0.15 0.42 -0.54 0.00 0.00 175.26 174.43 1wdx s ILE 33 N 2.57 2.95 -0.41 -3.70 1.01 -0.30 -4.72 121.20 118.60 1wdx s ILE 33 Ca 0.21 -1.60 -0.03 0.00 0.00 0.00 0.00 60.65 59.22 1wdx s ILE 33 Cb -0.15 -2.40 0.11 0.00 0.01 0.00 0.00 42.46 40.03 1wdx s ILE 33 CO 0.15 0.00 0.21 -0.63 0.00 0.00 0.00 174.94 174.68 1wdx s ILE 34 N -1.41 3.34 -0.10 2.92 1.01 0.19 -1.74 121.20 125.41 1wdx s ILE 34 Ca 0.21 -2.04 -0.29 0.00 0.00 0.00 0.00 60.65 58.53 1wdx s ILE 34 Cb -0.10 -3.29 -0.06 0.00 0.01 0.00 0.00 42.46 39.03 1wdx s ILE 34 CO 0.12 -0.70 1.82 -0.69 0.00 0.00 0.00 174.94 175.49 1wdx s VAL 35 N 1.15 3.37 -2.17 2.92 1.01 -0.79 -1.25 120.40 124.65 1wdx s VAL 35 Ca 0.08 0.43 0.22 0.00 0.00 0.00 0.00 61.98 62.71 1wdx s VAL 35 Cb -0.23 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.85 1wdx s VAL 35 CO -0.04 -0.10 1.09 0.35 0.00 0.00 0.00 175.10 176.39 1wdx n THR 36 N 6.12 0.00 -3.57 3.92 -2.24 -0.61 -2.47 114.28 115.44 1wdx n THR 36 Ca 0.20 -0.33 -0.06 0.00 -2.27 0.00 0.00 64.05 61.60 1wdx n THR 36 Cb 0.43 1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 69.95 1wdx n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wdx s SER 37 N -2.25 -0.24 -0.22 3.42 1.04 -0.83 -4.83 113.70 109.79 1wdx s SER 37 Ca 0.20 -0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.55 1wdx s SER 37 Cb 0.18 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1wdx s SER 37 CO 0.48 -0.51 -0.10 -0.69 0.98 0.00 0.00 173.24 173.40 1wdx s VAL 38 N -2.87 2.82 -0.05 5.02 1.01 -1.26 -1.72 120.40 123.35 1wdx s VAL 38 Ca 0.08 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 1wdx s VAL 38 Cb -0.01 -2.31 -0.29 0.00 0.00 0.00 0.00 36.38 33.78 1wdx s VAL 38 CO -0.06 0.39 0.92 -0.33 0.00 0.00 0.00 175.10 176.02 1wdx h GLU 39 N 8.03 0.26 0.00 2.72 4.39 -1.80 -3.48 114.58 124.70 1wdx h GLU 39 Ca -0.40 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 58.90 1wdx h GLU 39 Cb 1.14 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1wdx h GLU 39 CO 0.60 1.16 0.00 -0.40 -1.16 0.00 0.00 179.01 179.21 1wdx n ASP 40 N -4.24 0.00 0.13 1.42 5.68 -1.19 -5.02 116.55 113.33 1wdx n ASP 40 Ca -0.12 -0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 1wdx n ASP 40 Cb 0.72 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.99 1wdx n ASP 40 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wdx h ALA 41 N 2.00 1.25 -0.01 2.12 0.00 -2.04 -3.27 119.26 119.31 1wdx h ALA 41 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1wdx h ALA 41 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1wdx h ALA 41 CO 0.00 0.53 -0.22 0.39 0.00 0.00 0.00 179.25 179.95 1wdx n GLU 42 N -4.06 2.28 -4.15 0.00 1.02 -1.26 -4.93 120.64 109.54 1wdx n GLU 42 Ca -0.02 -0.54 -0.15 0.00 -0.02 0.00 0.00 57.16 56.44 1wdx n GLU 42 Cb 0.44 -1.05 -0.13 0.00 -0.02 0.00 0.00 31.44 30.67 1wdx n GLU 42 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1wdx s TRP 43 N -1.35 0.66 0.30 -0.32 0.52 -1.23 -1.04 118.94 116.47 1wdx s TRP 43 Ca 0.07 -0.29 0.08 0.00 0.02 0.00 0.00 56.10 55.98 1wdx s TRP 43 Cb 0.08 -0.41 -0.04 0.00 -1.15 0.00 0.00 33.47 31.95 1wdx s TRP 43 CO 0.25 -0.03 0.13 0.71 0.02 0.00 0.00 176.95 178.03 1wdx s TYR 44 N -0.73 2.81 -0.20 -1.98 2.02 0.30 -2.56 117.35 117.02 1wdx s TYR 44 Ca -0.03 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1wdx s TYR 44 Cb -0.06 -1.49 0.04 0.00 -0.40 0.00 0.00 41.96 40.04 1wdx s TYR 44 CO 0.00 0.43 -0.14 0.12 -1.57 0.00 0.00 175.55 174.39 1wdx s PHE 45 N -2.32 2.67 0.00 2.71 5.36 -0.70 -1.39 117.98 124.30 1wdx s PHE 45 Ca 0.35 -1.70 0.00 0.00 -0.96 0.00 0.00 56.93 54.63 1wdx s PHE 45 Cb -0.05 -1.78 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 1wdx s PHE 45 CO 0.23 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.62 1wdx n GLY 46 N 4.63 5.18 3.56 13.12 0.00 -1.05 -1.57 105.19 129.06 1wdx n GLY 46 Ca -0.17 -1.31 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 1wdx n GLY 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wdx s GLU 47 N 1.32 0.92 0.16 1.61 -1.05 -0.38 -2.59 118.70 118.68 1wdx s GLU 47 Ca 0.00 0.45 -0.02 0.00 -0.15 0.00 0.00 54.97 55.24 1wdx s GLU 47 Cb 0.00 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 1wdx s GLU 47 CO 0.00 -0.24 0.12 1.52 0.95 0.00 0.00 175.26 177.61 1wdx s TYR 48 N -0.72 0.89 -0.39 4.83 1.13 -1.10 -0.64 117.35 121.35 1wdx s TYR 48 Ca -0.06 -1.21 -0.22 0.00 -1.41 0.00 0.00 57.07 54.16 1wdx s TYR 48 Cb -0.02 -0.43 0.01 0.00 -1.10 0.00 0.00 41.96 40.43 1wdx s TYR 48 CO 0.06 -0.60 0.73 -1.14 -2.51 0.00 0.00 175.55 172.09 1wdx s GLN 49 N -4.08 3.62 0.80 -3.49 0.74 -1.26 -2.08 119.66 113.91 1wdx s GLN 49 Ca 0.28 0.09 -0.14 0.00 0.05 0.00 0.00 55.36 55.65 1wdx s GLN 49 Cb 0.06 -3.85 0.20 0.00 1.10 0.00 0.00 33.01 30.53 1wdx s GLN 49 CO 0.05 -0.89 0.71 -0.40 -0.55 0.00 0.00 175.29 174.21 1wdx n ASP 50 N 6.37 -1.74 0.18 6.67 5.68 -0.69 -4.85 116.55 128.16 1wdx n ASP 50 Ca 0.01 -0.93 0.14 0.00 -0.50 0.00 0.00 54.79 53.51 1wdx n ASP 50 Cb 0.48 -0.65 0.50 0.00 -1.14 0.00 0.00 41.12 40.31 1wdx n ASP 50 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1wdx h SER 51 N -2.14 0.00 0.13 -1.12 0.02 -1.97 -2.37 113.55 106.09 1wdx h SER 51 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1wdx h SER 51 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1wdx h SER 51 CO 0.18 0.00 -0.12 0.59 -1.14 0.00 0.00 176.83 176.33 1wdx n ASN 52 N -2.59 1.15 -1.89 3.07 3.02 -1.26 -4.97 115.26 111.79 1wdx n ASN 52 Ca 0.02 -1.13 -0.06 0.00 -0.03 0.00 0.00 54.58 53.38 1wdx n ASN 52 Cb 0.32 0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.57 1wdx n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wdx n GLY 53 N 1.25 0.16 3.02 7.41 0.00 -0.89 -5.08 105.19 111.07 1wdx n GLY 53 Ca 0.16 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1wdx n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wdx s ASP 54 N -3.42 1.77 -0.73 1.61 1.01 -1.26 -4.94 116.67 110.71 1wdx s ASP 54 Ca 0.02 -0.30 -0.25 0.00 0.71 0.00 0.00 52.55 52.74 1wdx s ASP 54 Cb -0.00 -0.82 0.05 0.00 1.01 0.00 0.00 42.92 43.15 1wdx s ASP 54 CO 0.26 0.03 1.17 -0.69 0.21 0.00 0.00 175.17 176.15 1wdx s VAL 55 N 0.68 3.96 -0.04 -1.27 1.01 -1.26 -1.70 120.40 121.78 1wdx s VAL 55 Ca -0.14 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 1wdx s VAL 55 Cb -0.16 -4.84 -0.04 0.00 0.00 0.00 0.00 36.38 31.34 1wdx s VAL 55 CO 0.04 -1.72 0.19 0.27 0.00 0.00 0.00 175.10 173.88 1wdx s ILE 56 N 5.07 5.42 0.07 2.22 -4.36 -0.89 -4.97 121.20 123.77 1wdx s ILE 56 Ca 0.31 0.07 0.01 0.00 -0.26 0.00 0.00 60.65 60.77 1wdx s ILE 56 Cb -0.11 -3.50 -0.04 0.00 1.25 0.00 0.00 42.46 40.06 1wdx s ILE 56 CO 0.12 0.44 -0.05 -1.83 0.24 0.00 0.00 174.94 173.86 1wdx s GLU 57 N -1.56 0.67 0.00 0.37 -1.05 -1.26 -2.71 118.70 113.16 1wdx s GLU 57 Ca 0.23 -1.17 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 1wdx s GLU 57 Cb -0.13 -0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.55 1wdx s GLU 57 CO 0.13 -0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.70 1wdx n GLY 58 N 0.31 0.26 3.85 -3.83 0.00 -1.07 -4.56 105.19 100.15 1wdx n GLY 58 Ca -0.15 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 1wdx n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wdx s ILE 59 N -2.00 4.93 0.07 -0.61 -4.36 -0.85 -2.52 121.20 115.86 1wdx s ILE 59 Ca 0.00 0.70 -0.12 0.00 -0.26 0.00 0.00 60.65 60.97 1wdx s ILE 59 Cb 0.00 -3.71 0.02 0.00 1.25 0.00 0.00 42.46 40.02 1wdx s ILE 59 CO 0.00 0.25 0.28 0.72 0.24 0.00 0.00 174.94 176.43 1wdx s PHE 60 N -1.45 -0.04 0.54 1.37 -0.12 -0.49 -1.71 117.98 116.09 1wdx s PHE 60 Ca 0.36 -0.20 -0.18 0.00 -0.05 0.00 0.00 56.93 56.86 1wdx s PHE 60 Cb -0.15 0.07 -0.06 0.00 -0.63 0.00 0.00 43.02 42.25 1wdx s PHE 60 CO 0.19 -0.53 1.07 -2.14 -0.05 0.00 0.00 175.22 173.76 1wdx s PRO 61 N -3.05 3.48 0.15 1.99 0.02 -1.26 -0.54 135.00 135.80 1wdx s PRO 61 Ca -0.01 1.40 -0.03 0.00 0.02 0.00 0.00 61.00 62.37 1wdx s PRO 61 Cb 0.01 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 1wdx s PRO 61 CO -0.06 -0.71 1.37 0.87 -0.33 0.00 0.00 177.00 178.14 1wdx h LYS 62 N 1.06 0.43 0.00 5.54 1.57 -1.43 -3.08 116.57 120.65 1wdx h LYS 62 Ca -0.49 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 57.90 1wdx h LYS 62 Cb 1.23 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1wdx h LYS 62 CO 0.58 1.04 0.00 0.66 -0.57 0.00 0.00 179.45 181.16 1wdx h SER 63 N 0.27 0.00 1.43 0.86 4.64 -1.93 -1.66 113.55 117.16 1wdx h SER 63 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1wdx h SER 63 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1wdx h SER 63 CO 0.14 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 175.84 1wdx h PHE 64 N 0.00 0.00 -2.85 4.77 -1.00 -1.92 -3.47 116.94 112.47 1wdx h PHE 64 Ca 0.00 0.00 -0.47 0.00 2.81 0.00 0.00 57.97 60.31 1wdx h PHE 64 Cb 0.30 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.72 1wdx h PHE 64 CO 0.00 0.00 -0.63 0.14 -1.61 0.00 0.00 178.31 176.21 1wdx s VAL 65 N -3.21 1.29 0.33 -0.55 -7.23 -0.62 -2.02 120.40 108.39 1wdx s VAL 65 Ca 0.08 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.29 1wdx s VAL 65 Cb 0.10 -2.64 -0.06 0.00 0.56 0.00 0.00 36.38 34.33 1wdx s VAL 65 CO 0.57 -0.13 -0.05 0.00 -0.31 0.00 0.00 175.10 175.19 1wdx s ALA 66 N -3.23 2.69 -1.98 1.32 0.00 -0.70 -4.85 121.76 115.00 1wdx s ALA 66 Ca 0.33 -2.05 0.16 0.00 0.00 0.00 0.00 51.96 50.41 1wdx s ALA 66 Cb 0.07 0.15 0.13 0.00 0.00 0.00 0.00 23.12 23.46 1wdx s ALA 66 CO 0.14 -0.05 1.00 0.28 0.00 0.00 0.00 175.76 177.13