#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx9 n SER 2 N 0.00 1.65 -4.90 1.61 2.88 -1.26 -5.03 113.62 108.57 1wx9 n SER 2 Ca 0.00 0.27 -0.29 0.00 -1.33 0.00 0.00 58.87 57.52 1wx9 n SER 2 Cb 0.00 -0.61 0.06 0.00 -0.75 0.00 0.00 64.21 62.91 1wx9 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wx9 s SER 3 N -6.04 5.11 -0.28 -3.46 0.01 -1.26 -5.05 113.70 102.73 1wx9 s SER 3 Ca -0.21 0.90 -0.09 0.00 1.31 0.00 0.00 55.95 57.86 1wx9 s SER 3 Cb 0.04 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.63 1wx9 s SER 3 CO 0.30 -1.51 0.13 -0.83 0.41 0.00 0.00 173.24 171.75 1wx9 s GLY 4 N -4.44 1.85 -0.16 3.44 0.00 -1.26 -5.05 107.32 101.71 1wx9 s GLY 4 Ca 0.59 -1.18 -0.33 0.00 0.00 0.00 0.00 44.72 43.80 1wx9 s GLY 4 CO 0.49 0.62 1.13 -0.56 0.00 0.00 0.00 173.10 174.78 1wx9 s SER 5 N 1.67 -0.20 0.03 1.64 0.01 -1.26 -5.06 113.70 110.52 1wx9 s SER 5 Ca 0.06 0.04 -0.27 0.00 1.31 0.00 0.00 55.95 57.09 1wx9 s SER 5 Cb -0.16 0.20 -0.17 0.00 0.21 0.00 0.00 66.02 66.11 1wx9 s SER 5 CO 0.07 -0.31 1.31 0.28 0.41 0.00 0.00 173.24 175.00 1wx9 h SER 6 N 2.05 -0.53 -3.79 2.44 0.02 -2.02 -3.49 113.55 108.24 1wx9 h SER 6 Ca -0.12 -0.08 0.15 0.00 -0.84 0.00 0.00 61.79 60.90 1wx9 h SER 6 Cb 1.18 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.77 1wx9 h SER 6 CO 0.25 -0.20 -0.94 0.61 -1.14 0.00 0.00 176.83 175.41 1wx9 n GLY 7 N -0.67 -3.55 3.74 -3.77 0.00 -1.26 -4.84 105.19 94.84 1wx9 n GLY 7 Ca -0.11 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1wx9 n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wx9 s LEU 8 N -5.88 4.35 0.15 0.99 0.20 -0.36 -4.89 118.68 113.24 1wx9 s LEU 8 Ca 0.00 1.10 -0.12 0.00 0.69 0.00 0.00 54.13 55.80 1wx9 s LEU 8 Cb 0.00 -2.93 -0.07 0.00 -0.43 0.00 0.00 46.19 42.76 1wx9 s LEU 8 CO 0.00 0.01 0.51 -0.70 -0.29 0.00 0.00 176.35 175.87 1wx9 s GLU 9 N 0.31 3.87 -0.08 1.98 2.12 -1.26 -0.65 118.70 124.99 1wx9 s GLU 9 Ca 0.32 0.34 -0.04 0.00 0.36 0.00 0.00 54.97 55.96 1wx9 s GLU 9 Cb -0.17 -2.88 0.04 0.00 0.26 0.00 0.00 34.13 31.38 1wx9 s GLU 9 CO 0.16 0.46 0.18 0.08 -0.54 0.00 0.00 175.26 175.60 1wx9 s VAL 10 N -1.54 -0.04 0.18 3.70 1.01 0.50 0.05 120.40 124.26 1wx9 s VAL 10 Ca 0.39 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.59 1wx9 s VAL 10 Cb -0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1wx9 s VAL 10 CO 0.20 0.07 0.12 -0.76 0.00 0.00 0.00 175.10 174.72 1wx9 s LEU 11 N 1.15 3.73 -0.02 3.92 1.02 -0.77 0.13 118.68 127.83 1wx9 s LEU 11 Ca -0.09 -0.19 0.01 0.00 0.02 0.00 0.00 54.13 53.87 1wx9 s LEU 11 Cb -0.11 -2.33 0.02 0.00 0.02 0.00 0.00 46.19 43.79 1wx9 s LEU 11 CO -0.06 0.05 -0.01 -0.69 0.02 0.00 0.00 176.35 175.66 1wx9 s VAL 12 N -1.81 0.19 -0.08 -1.59 1.01 -1.08 -1.83 120.40 115.20 1wx9 s VAL 12 Ca 0.31 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1wx9 s VAL 12 Cb -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1wx9 s VAL 12 CO 0.23 0.12 -0.17 -0.75 0.00 0.00 0.00 175.10 174.53 1wx9 s LYS 13 N 0.71 2.87 0.39 2.72 2.20 -0.62 -2.17 119.74 125.83 1wx9 s LYS 13 Ca -0.07 -0.75 0.08 0.00 -0.36 0.00 0.00 55.97 54.86 1wx9 s LYS 13 Cb -0.10 -2.41 -0.05 0.00 -1.51 0.00 0.00 37.83 33.75 1wx9 s LYS 13 CO -0.01 0.39 0.15 0.95 -0.36 0.00 0.00 175.35 176.47 1wx9 s THR 14 N -0.13 2.47 -0.85 3.43 -4.23 -1.09 -2.61 115.64 112.63 1wx9 s THR 14 Ca -0.02 -1.73 -0.06 0.00 -1.18 0.00 0.00 61.69 58.69 1wx9 s THR 14 Cb -0.14 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.68 1wx9 s THR 14 CO 0.04 -0.06 2.03 0.18 -0.54 0.00 0.00 174.62 176.27 1wx9 n LEU 15 N -1.19 4.59 -1.16 4.79 7.99 -1.26 -2.76 117.00 128.01 1wx9 n LEU 15 Ca -0.02 -2.78 -0.03 0.00 -0.01 0.00 0.00 56.01 53.17 1wx9 n LEU 15 Cb 0.64 -1.06 -0.00 0.00 -0.11 0.00 0.00 43.42 42.88 1wx9 n LEU 15 CO 0.45 0.45 0.26 -0.67 -1.51 0.00 0.00 177.39 176.37 1wx9 n ASP 16 N 4.46 -0.58 -4.12 -1.43 -0.08 -1.26 -5.00 116.55 108.53 1wx9 n ASP 16 Ca 0.42 -1.20 -0.38 0.00 -1.51 0.00 0.00 54.79 52.13 1wx9 n ASP 16 Cb 0.14 0.21 -0.03 0.00 2.34 0.00 0.00 41.12 43.78 1wx9 n ASP 16 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wx9 n SER 17 N -0.24 -1.84 -3.87 1.67 7.64 -1.11 -4.91 113.62 110.96 1wx9 n SER 17 Ca -0.13 -1.21 -0.29 0.00 1.01 0.00 0.00 58.87 58.25 1wx9 n SER 17 Cb 0.54 -1.47 -0.16 0.00 -1.01 0.00 0.00 64.21 62.11 1wx9 n SER 17 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1wx9 s GLN 18 N -7.24 1.30 -0.17 1.43 -0.21 -1.25 -5.02 119.66 108.50 1wx9 s GLN 18 Ca 0.27 -0.75 -0.03 0.00 0.02 0.00 0.00 55.36 54.87 1wx9 s GLN 18 Cb -0.15 -2.36 -0.02 0.00 1.00 0.00 0.00 33.01 31.47 1wx9 s GLN 18 CO 0.92 -0.59 -0.04 0.99 -2.12 0.00 0.00 175.29 174.45 1wx9 s THR 19 N 1.57 3.73 0.42 -0.19 2.01 -1.26 -2.67 115.64 119.25 1wx9 s THR 19 Ca -0.03 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.61 1wx9 s THR 19 Cb -0.18 -2.64 -0.06 0.00 0.01 0.00 0.00 72.50 69.63 1wx9 s THR 19 CO -0.07 0.48 0.02 -0.13 -0.69 0.00 0.00 174.62 174.22 1wx9 s ARG 20 N 0.59 1.98 -0.03 4.92 0.52 -0.92 -4.96 118.95 121.05 1wx9 s ARG 20 Ca -0.03 -2.16 0.04 0.00 -0.52 0.00 0.00 55.73 53.07 1wx9 s ARG 20 Cb -0.14 -1.53 -0.00 0.00 0.52 0.00 0.00 34.95 33.79 1wx9 s ARG 20 CO 0.03 -0.14 -0.16 0.99 0.02 0.00 0.00 175.30 176.04 1wx9 s THR 21 N -2.81 1.35 -0.01 0.02 2.01 -1.26 -2.63 115.64 112.31 1wx9 s THR 21 Ca 0.29 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.63 1wx9 s THR 21 Cb 0.08 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 1wx9 s THR 21 CO 0.15 0.39 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.01 1wx9 s PHE 22 N -0.05 0.84 -0.37 4.92 0.08 0.36 -4.94 117.98 118.82 1wx9 s PHE 22 Ca -0.01 -0.17 -0.03 0.00 0.12 0.00 0.00 56.93 56.84 1wx9 s PHE 22 Cb -0.10 -0.55 0.08 0.00 -0.57 0.00 0.00 43.02 41.88 1wx9 s PHE 22 CO 0.01 -0.02 0.13 0.42 -0.10 0.00 0.00 175.22 175.66 1wx9 s ILE 23 N -0.17 3.31 0.25 0.64 -1.09 -1.26 0.19 121.20 123.07 1wx9 s ILE 23 Ca 0.03 -1.70 0.06 0.00 -2.23 0.00 0.00 60.65 56.81 1wx9 s ILE 23 Cb -0.04 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.68 1wx9 s ILE 23 CO -0.00 -0.44 -0.08 0.68 -1.23 0.00 0.00 174.94 173.87 1wx9 s VAL 24 N 1.22 1.56 -0.04 2.92 -7.23 0.17 -4.92 120.40 114.09 1wx9 s VAL 24 Ca 0.03 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 57.77 1wx9 s VAL 24 Cb -0.21 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1wx9 s VAL 24 CO -0.02 -0.41 1.42 -0.83 -0.31 0.00 0.00 175.10 174.96 1wx9 s GLY 25 N -3.37 1.77 0.42 2.32 0.00 -1.26 -1.23 107.32 105.96 1wx9 s GLY 25 Ca 0.27 0.82 0.25 0.00 0.00 0.00 0.00 44.72 46.06 1wx9 s GLY 25 CO 0.09 2.60 1.66 0.00 0.00 0.00 0.00 173.10 177.46 1wx9 h ALA 26 N 8.18 2.51 -0.71 3.20 0.00 -1.94 1.46 119.26 131.97 1wx9 h ALA 26 Ca -0.36 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wx9 h ALA 26 Cb 1.17 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1wx9 h ALA 26 CO 0.92 -1.08 0.45 1.96 0.00 0.00 0.00 179.25 181.49 1wx9 h GLN 27 N 0.18 0.95 -5.14 0.00 4.20 -2.01 -3.33 115.11 109.97 1wx9 h GLN 27 Ca 0.75 -0.08 -0.52 0.00 0.06 0.00 0.00 58.65 58.86 1wx9 h GLN 27 Cb 2.20 -0.21 0.14 0.00 0.30 0.00 0.00 27.48 29.91 1wx9 h GLN 27 CO -0.42 0.66 -0.89 -0.12 -0.67 0.00 0.00 178.83 177.39 1wx9 n MET 28 N -4.56 0.00 -2.86 1.46 1.56 0.50 -4.86 117.12 108.37 1wx9 n MET 28 Ca 0.06 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.31 1wx9 n MET 28 Cb 0.04 -0.86 0.02 0.00 2.15 0.00 0.00 33.22 34.58 1wx9 n MET 28 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1wx9 s ASN 29 N -0.86 5.48 0.13 6.12 4.22 -1.26 -3.69 114.94 125.09 1wx9 s ASN 29 Ca 0.50 -0.26 -0.19 0.00 -2.14 0.00 0.00 52.86 50.77 1wx9 s ASN 29 Cb -0.49 -0.72 -0.01 0.00 1.28 0.00 0.00 41.25 41.31 1wx9 s ASN 29 CO 0.55 -0.94 1.73 0.58 -2.04 0.00 0.00 177.10 176.98 1wx9 h VAL 30 N 0.39 0.86 0.02 3.54 2.07 0.89 -1.01 116.25 123.00 1wx9 h VAL 30 Ca -0.41 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1wx9 h VAL 30 Cb 1.29 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1wx9 h VAL 30 CO 0.48 0.02 -0.05 0.50 0.02 0.00 0.00 177.57 178.54 1wx9 h LYS 31 N 0.10 -0.07 -0.93 1.57 3.64 -1.65 0.14 116.57 119.37 1wx9 h LYS 31 Ca 0.11 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.64 1wx9 h LYS 31 Cb 0.13 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 31.81 1wx9 h LYS 31 CO -0.17 -0.05 -0.36 0.39 -2.27 0.00 0.00 179.45 177.00 1wx9 n GLU 32 N -2.72 -0.21 -0.24 1.90 1.02 -1.15 0.15 120.64 119.38 1wx9 n GLU 32 Ca -0.01 1.44 0.03 0.00 -0.02 0.00 0.00 57.16 58.60 1wx9 n GLU 32 Cb 0.04 -2.14 0.16 0.00 -0.02 0.00 0.00 31.44 29.48 1wx9 n GLU 32 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1wx9 h PHE 33 N 0.00 0.49 -0.85 -0.32 3.57 -0.69 0.30 116.94 119.44 1wx9 h PHE 33 Ca 0.33 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.93 1wx9 h PHE 33 Cb 0.56 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 1wx9 h PHE 33 CO -0.81 0.09 0.52 0.87 -2.23 0.00 0.00 178.31 176.75 1wx9 h LYS 34 N 0.45 0.92 -0.35 1.11 1.57 0.42 0.21 116.57 120.90 1wx9 h LYS 34 Ca 0.38 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.98 1wx9 h LYS 34 Cb 0.52 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1wx9 h LYS 34 CO -0.36 0.61 -0.29 0.93 -0.57 0.00 0.00 179.45 179.77 1wx9 h GLU 35 N 0.95 0.73 0.03 3.15 5.08 0.75 1.32 114.58 126.60 1wx9 h GLU 35 Ca 0.37 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1wx9 h GLU 35 Cb 0.17 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1wx9 h GLU 35 CO -0.17 0.93 -0.01 1.25 -1.00 0.00 0.00 179.01 180.01 1wx9 h HIS 36 N 0.62 -0.04 -0.03 4.33 2.76 0.87 -2.88 115.15 120.78 1wx9 h HIS 36 Ca 0.07 -0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.07 1wx9 h HIS 36 Cb 0.81 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.77 1wx9 h HIS 36 CO 0.04 0.12 -0.76 -0.84 -1.30 0.00 0.00 177.93 175.19 1wx9 h ILE 37 N -0.19 1.45 -1.16 6.26 3.07 -0.58 -3.02 117.51 123.34 1wx9 h ILE 37 Ca -0.00 -2.34 0.33 0.00 1.55 0.00 0.00 64.86 64.40 1wx9 h ILE 37 Cb 0.18 2.26 -0.05 0.00 -0.27 0.00 0.00 36.82 38.95 1wx9 h ILE 37 CO 0.01 0.69 1.04 0.00 -1.05 0.00 0.00 178.15 178.84 1wx9 h ALA 38 N 1.06 3.04 0.41 0.16 0.00 0.20 0.75 119.26 124.88 1wx9 h ALA 38 Ca -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1wx9 h ALA 38 Cb 1.33 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1wx9 h ALA 38 CO 0.12 -1.64 -0.20 0.00 0.00 0.00 0.00 179.25 177.53 1wx9 h ALA 39 N 1.00 -0.55 0.48 0.00 0.00 -1.49 0.45 119.26 119.16 1wx9 h ALA 39 Ca 0.55 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1wx9 h ALA 39 Cb 2.63 0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.64 1wx9 h ALA 39 CO -0.01 -0.60 -0.23 0.77 0.00 0.00 0.00 179.25 179.18 1wx9 h SER 40 N -0.98 -0.55 -0.79 0.00 0.02 0.11 -3.02 113.55 108.34 1wx9 h SER 40 Ca -0.06 0.02 0.19 0.00 -0.84 0.00 0.00 61.79 61.10 1wx9 h SER 40 Cb 0.55 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.18 1wx9 h SER 40 CO 0.09 -0.30 0.54 -0.37 -1.14 0.00 0.00 176.83 175.65 1wx9 h VAL 41 N -0.84 0.70 -0.71 2.27 -1.51 -0.52 -3.45 116.25 112.19 1wx9 h VAL 41 Ca -0.07 -0.10 -0.10 0.00 -1.23 0.00 0.00 66.70 65.21 1wx9 h VAL 41 Cb 0.50 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.05 1wx9 h VAL 41 CO 0.11 0.05 -0.13 -0.24 -1.23 0.00 0.00 177.57 176.13 1wx9 n SER 42 N -4.44 -2.25 -4.17 4.19 2.88 0.15 -5.02 113.62 104.96 1wx9 n SER 42 Ca 0.16 -0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.45 1wx9 n SER 42 Cb 0.67 -1.58 -0.15 0.00 -0.75 0.00 0.00 64.21 62.40 1wx9 n SER 42 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wx9 s ILE 43 N -2.25 1.38 0.34 2.46 1.01 -0.64 -4.99 121.20 118.50 1wx9 s ILE 43 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 60.65 59.63 1wx9 s ILE 43 Cb 0.00 -1.15 -0.09 0.00 0.01 0.00 0.00 42.46 41.23 1wx9 s ILE 43 CO 0.00 0.38 1.07 -2.16 0.00 0.00 0.00 174.94 174.23 1wx9 s PRO 44 N -0.44 4.39 0.28 2.79 0.04 -1.26 -4.00 135.00 136.80 1wx9 s PRO 44 Ca 0.07 1.64 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1wx9 s PRO 44 Cb -0.07 -2.85 0.53 0.00 0.04 0.00 0.00 34.50 32.16 1wx9 s PRO 44 CO -0.01 0.03 1.84 0.66 0.04 0.00 0.00 177.00 179.57 1wx9 h SER 45 N 3.13 0.95 0.23 6.66 4.64 -1.92 0.97 113.55 128.20 1wx9 h SER 45 Ca -0.47 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1wx9 h SER 45 Cb 1.21 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1wx9 h SER 45 CO 0.64 0.52 0.00 -1.84 -0.87 0.00 0.00 176.83 175.28 1wx9 n GLU 46 N -4.60 0.09 -0.02 4.77 0.28 -1.26 -1.25 120.64 118.65 1wx9 n GLU 46 Ca 0.18 0.50 0.02 0.00 -0.16 0.00 0.00 57.16 57.71 1wx9 n GLU 46 Cb 0.33 -1.75 -0.08 0.00 1.43 0.00 0.00 31.44 31.37 1wx9 n GLU 46 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wx9 n LYS 47 N -1.94 1.02 -1.48 3.44 5.02 0.22 -5.02 118.16 119.41 1wx9 n LYS 47 Ca 0.00 -0.07 -0.29 0.00 -2.02 0.00 0.00 58.31 55.94 1wx9 n LYS 47 Cb 0.09 -1.25 0.17 0.00 -0.02 0.00 0.00 35.03 34.01 1wx9 n LYS 47 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wx9 s GLN 48 N -2.57 0.57 -0.42 1.97 -0.21 0.27 -2.75 119.66 116.53 1wx9 s GLN 48 Ca -0.04 0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.48 1wx9 s GLN 48 Cb 0.05 -1.79 0.22 0.00 1.00 0.00 0.00 33.01 32.50 1wx9 s GLN 48 CO 0.43 -2.55 0.97 -2.13 -2.12 0.00 0.00 175.29 169.88 1wx9 n ARG 49 N -3.98 0.34 -1.71 2.91 0.63 -1.02 -4.90 116.66 108.93 1wx9 n ARG 49 Ca 0.09 -1.32 -0.43 0.00 -0.92 0.00 0.00 57.85 55.27 1wx9 n ARG 49 Cb 0.59 -0.67 -0.03 0.00 0.45 0.00 0.00 32.46 32.80 1wx9 n ARG 49 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1wx9 n LEU 50 N 2.42 3.85 -3.85 6.15 4.77 -1.26 -3.27 117.00 125.81 1wx9 n LEU 50 Ca 0.12 1.10 -0.21 0.00 -0.03 0.00 0.00 56.01 56.99 1wx9 n LEU 50 Cb 0.63 -1.54 -0.17 0.00 -2.33 0.00 0.00 43.42 40.01 1wx9 n LEU 50 CO -0.06 0.02 -0.40 -0.63 -1.33 0.00 0.00 177.39 174.99 1wx9 s ILE 51 N 0.66 0.47 -0.19 -0.08 1.01 0.95 0.17 121.20 124.18 1wx9 s ILE 51 Ca 0.72 -0.03 -0.04 0.00 0.00 0.00 0.00 60.65 61.29 1wx9 s ILE 51 Cb -0.55 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 1wx9 s ILE 51 CO 0.40 0.23 -0.02 -0.47 0.00 0.00 0.00 174.94 175.08 1wx9 s TYR 52 N 1.27 3.01 0.00 3.97 5.04 0.03 0.76 117.35 131.43 1wx9 s TYR 52 Ca -0.06 -0.51 0.00 0.00 -2.44 0.00 0.00 57.07 54.07 1wx9 s TYR 52 Cb -0.14 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 40.12 1wx9 s TYR 52 CO -0.02 -0.25 0.00 1.04 -1.34 0.00 0.00 175.55 174.98 1wx9 n GLN 53 N 4.18 0.00 -0.96 4.97 1.13 -1.26 -1.37 117.38 124.07 1wx9 n GLN 53 Ca -0.17 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 54.86 1wx9 n GLN 53 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.85 1wx9 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wx9 n GLY 54 N 0.00 0.01 2.85 1.08 0.00 -1.26 -5.10 105.19 102.77 1wx9 n GLY 54 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1wx9 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wx9 s ARG 55 N 0.01 -0.00 0.51 1.61 0.52 -0.47 -5.14 118.95 115.98 1wx9 s ARG 55 Ca 0.01 0.04 -0.20 0.00 -0.52 0.00 0.00 55.73 55.06 1wx9 s ARG 55 Cb 0.04 -0.06 -0.07 0.00 0.52 0.00 0.00 34.95 35.38 1wx9 s ARG 55 CO -0.01 -0.04 1.12 0.54 0.02 0.00 0.00 175.30 176.93 1wx9 s VAL 56 N 0.25 3.28 -0.24 3.52 0.11 -1.26 -0.79 120.40 125.26 1wx9 s VAL 56 Ca -0.02 0.83 -0.11 0.00 -2.93 0.00 0.00 61.98 59.75 1wx9 s VAL 56 Cb -0.03 -3.36 -0.05 0.00 -1.53 0.00 0.00 36.38 31.41 1wx9 s VAL 56 CO -0.01 -0.14 0.18 -0.76 -3.33 0.00 0.00 175.10 171.04 1wx9 s LEU 57 N -3.56 4.11 0.12 2.54 1.43 0.13 -4.87 118.68 118.57 1wx9 s LEU 57 Ca 0.70 0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 53.61 1wx9 s LEU 57 Cb -0.23 -2.13 -0.07 0.00 0.03 0.00 0.00 46.19 43.78 1wx9 s LEU 57 CO 0.27 0.05 1.28 -1.10 0.23 0.00 0.00 176.35 177.07 1wx9 s GLN 58 N 1.14 4.40 0.11 1.70 1.11 -1.26 -4.68 119.66 122.18 1wx9 s GLN 58 Ca 0.08 1.93 -0.29 0.00 0.01 0.00 0.00 55.36 57.09 1wx9 s GLN 58 Cb -0.14 -3.27 -0.09 0.00 -1.01 0.00 0.00 33.01 28.49 1wx9 s GLN 58 CO 0.05 -0.29 1.62 0.38 0.01 0.00 0.00 175.29 177.06 1wx9 h ASP 59 N 6.34 -0.91 -0.97 5.90 3.04 -1.97 -0.86 116.42 126.99 1wx9 h ASP 59 Ca -0.43 0.10 0.21 0.00 -3.24 0.00 0.00 57.03 53.67 1wx9 h ASP 59 Cb 1.21 0.34 -0.11 0.00 -1.04 0.00 0.00 39.33 39.73 1wx9 h ASP 59 CO 0.81 -0.42 0.55 -0.78 -2.04 0.00 0.00 179.24 177.37 1wx9 h ASP 60 N -0.58 0.66 -3.41 4.15 3.58 -1.96 -2.24 116.42 116.62 1wx9 h ASP 60 Ca 0.02 0.12 -0.45 0.00 0.42 0.00 0.00 57.03 57.13 1wx9 h ASP 60 Cb 0.58 0.01 0.21 0.00 1.72 0.00 0.00 39.33 41.86 1wx9 h ASP 60 CO -0.16 0.18 0.04 -0.54 -2.88 0.00 0.00 179.24 175.88 1wx9 s LYS 61 N -5.85 -0.69 0.27 0.28 -0.14 -0.33 -4.60 119.74 108.68 1wx9 s LYS 61 Ca -0.11 0.98 0.11 0.00 -1.36 0.00 0.00 55.97 55.59 1wx9 s LYS 61 Cb 0.25 -1.57 -0.05 0.00 -1.68 0.00 0.00 37.83 34.79 1wx9 s LYS 61 CO 0.79 -3.61 -0.15 0.15 -0.76 0.00 0.00 175.35 171.77 1wx9 s LYS 62 N -4.47 1.82 0.06 1.68 1.02 -1.26 0.74 119.74 119.33 1wx9 s LYS 62 Ca 0.68 -1.66 -0.33 0.00 0.02 0.00 0.00 55.97 54.68 1wx9 s LYS 62 Cb -0.25 -1.88 -0.19 0.00 -0.52 0.00 0.00 37.83 35.00 1wx9 s LYS 62 CO 0.64 0.35 1.52 -0.07 -0.92 0.00 0.00 175.35 176.86 1wx9 h LEU 63 N 2.25 -0.87 -0.83 3.17 -0.00 -1.79 -2.82 115.31 114.43 1wx9 h LEU 63 Ca -0.42 0.02 0.21 0.00 -0.00 0.00 0.00 57.88 57.69 1wx9 h LEU 63 Cb 1.25 0.23 -0.14 0.00 -0.00 0.00 0.00 40.66 42.00 1wx9 h LEU 63 CO 0.59 -0.59 0.10 -0.61 -0.00 0.00 0.00 178.44 177.93 1wx9 h GLN 64 N -1.09 0.14 -1.22 1.13 4.15 -1.84 1.00 115.11 117.38 1wx9 h GLN 64 Ca -0.11 -0.01 0.36 0.00 0.77 0.00 0.00 58.65 59.66 1wx9 h GLN 64 Cb 0.80 -0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.37 1wx9 h GLN 64 CO 0.17 0.09 0.82 0.93 -1.93 0.00 0.00 178.83 178.91 1wx9 h GLU 65 N 0.14 0.18 0.00 1.69 4.39 -1.80 0.80 114.58 119.98 1wx9 h GLU 65 Ca 0.49 -0.01 -0.21 0.00 0.34 0.00 0.00 59.36 59.97 1wx9 h GLU 65 Cb 0.92 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 1wx9 h GLU 65 CO -0.68 0.12 -1.63 0.66 -1.16 0.00 0.00 179.01 176.32 1wx9 n TYR 66 N -4.50 0.80 -2.18 4.33 4.01 0.32 -5.00 117.16 114.94 1wx9 n TYR 66 Ca 0.30 0.27 -0.02 0.00 -0.16 0.00 0.00 57.90 58.29 1wx9 n TYR 66 Cb 1.21 -1.06 0.01 0.00 -0.31 0.00 0.00 39.34 39.19 1wx9 n TYR 66 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1wx9 n ASN 67 N -2.86 -2.02 -1.56 7.72 5.15 0.28 -4.94 115.26 117.02 1wx9 n ASN 67 Ca -0.14 -0.07 -0.05 0.00 -0.60 0.00 0.00 54.58 53.73 1wx9 n ASN 67 Cb 0.90 -1.02 0.19 0.00 -0.53 0.00 0.00 39.78 39.32 1wx9 n ASN 67 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1wx9 n VAL 68 N -1.41 2.05 -1.97 3.44 0.24 -1.23 -4.83 118.33 114.62 1wx9 n VAL 68 Ca -0.03 -1.03 -0.43 0.00 -2.04 0.00 0.00 64.34 60.81 1wx9 n VAL 68 Cb 0.52 -0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 32.35 1wx9 n VAL 68 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wx9 s GLY 69 N -0.46 1.26 0.00 7.63 0.00 -1.25 -1.75 107.32 112.75 1wx9 s GLY 69 Ca 0.35 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.82 1wx9 s GLY 69 CO 0.08 3.16 0.00 0.61 0.00 0.00 0.00 173.10 176.95 1wx9 n GLY 70 N 4.61 0.19 3.94 0.20 0.00 0.11 -4.94 105.19 109.30 1wx9 n GLY 70 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1wx9 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wx9 s LYS 71 N -1.23 2.81 -0.32 1.61 -0.14 -0.72 -4.86 119.74 116.90 1wx9 s LYS 71 Ca 0.00 -0.39 -0.08 0.00 -1.36 0.00 0.00 55.97 54.14 1wx9 s LYS 71 Cb 0.00 -2.42 0.01 0.00 -1.68 0.00 0.00 37.83 33.75 1wx9 s LYS 71 CO 0.00 -0.60 0.12 0.08 -0.76 0.00 0.00 175.35 174.19 1wx9 s VAL 72 N -2.80 4.14 0.64 3.17 1.01 -1.26 -1.85 120.40 123.45 1wx9 s VAL 72 Ca 0.53 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1wx9 s VAL 72 Cb -0.10 -3.20 0.07 0.00 0.00 0.00 0.00 36.38 33.15 1wx9 s VAL 72 CO 0.41 -0.02 0.90 -0.63 0.00 0.00 0.00 175.10 175.76 1wx9 s ILE 73 N 1.51 2.41 -0.37 2.22 1.01 -0.76 -4.78 121.20 122.44 1wx9 s ILE 73 Ca 0.02 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1wx9 s ILE 73 Cb -0.18 -2.88 0.11 0.00 0.01 0.00 0.00 42.46 39.52 1wx9 s ILE 73 CO 0.04 0.00 0.13 -1.00 0.00 0.00 0.00 174.94 174.11 1wx9 s HIS 74 N -3.01 2.60 0.26 3.97 3.76 0.23 -1.60 115.29 121.51 1wx9 s HIS 74 Ca 0.61 -2.47 -0.14 0.00 -0.15 0.00 0.00 55.06 52.91 1wx9 s HIS 74 Cb -0.09 -2.27 -0.08 0.00 1.11 0.00 0.00 32.58 31.25 1wx9 s HIS 74 CO 0.42 -0.86 0.66 -1.17 -0.85 0.00 0.00 174.74 172.94 1wx9 s LEU 75 N 0.88 4.16 -0.01 0.89 2.96 -1.07 -0.03 118.68 126.45 1wx9 s LEU 75 Ca 0.13 1.17 -0.03 0.00 -0.22 0.00 0.00 54.13 55.18 1wx9 s LEU 75 Cb -0.20 -3.81 -0.00 0.00 0.50 0.00 0.00 46.19 42.67 1wx9 s LEU 75 CO -0.11 -0.10 0.05 0.68 -1.32 0.00 0.00 176.35 175.55 1wx9 s VAL 76 N -1.82 0.04 -0.20 1.68 -7.23 -1.20 -4.65 120.40 107.03 1wx9 s VAL 76 Ca 0.49 -0.36 -0.05 0.00 -1.81 0.00 0.00 61.98 60.25 1wx9 s VAL 76 Cb -0.12 -0.20 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 1wx9 s VAL 76 CO 0.19 -0.20 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.08 1wx9 s GLU 77 N -0.61 3.61 0.92 4.82 2.56 -1.26 -2.43 118.70 126.31 1wx9 s GLU 77 Ca -0.07 -0.52 -0.17 0.00 0.00 0.00 0.00 54.97 54.21 1wx9 s GLU 77 Cb -0.04 -3.06 -0.14 0.00 2.00 0.00 0.00 34.13 32.89 1wx9 s GLU 77 CO 0.00 0.03 -0.63 0.54 -0.56 0.00 0.00 175.26 174.64 1wx9 n ARG 78 N 4.19 -0.01 -4.01 4.30 1.74 -1.11 -4.94 116.66 116.81 1wx9 n ARG 78 Ca -0.17 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.60 1wx9 n ARG 78 Cb 0.52 -1.05 -0.15 0.00 -1.02 0.00 0.00 32.46 30.75 1wx9 n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wx9 s ALA 79 N -2.02 2.54 -1.04 7.54 0.00 -1.26 -5.05 121.76 122.47 1wx9 s ALA 79 Ca 0.44 -1.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.17 1wx9 s ALA 79 Cb -0.23 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.18 1wx9 s ALA 79 CO 0.79 -1.42 1.73 -1.25 0.00 0.00 0.00 175.76 175.62 1wx9 s PRO 80 N 1.10 3.13 -0.23 0.00 0.04 -1.26 -4.40 135.00 133.39 1wx9 s PRO 80 Ca 0.00 -0.96 -0.14 0.00 0.04 0.00 0.00 61.00 59.95 1wx9 s PRO 80 Cb -0.19 -5.26 0.02 0.00 0.04 0.00 0.00 34.50 29.10 1wx9 s PRO 80 CO -0.08 -2.87 0.26 0.45 0.04 0.00 0.00 177.00 174.81 1wx9 n SER 81 N 11.37 -6.60 0.00 6.66 2.88 -1.26 -5.01 113.62 121.65 1wx9 n SER 81 Ca 0.39 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1wx9 n SER 81 Cb 0.48 -2.55 0.00 0.00 -0.75 0.00 0.00 64.21 61.39 1wx9 n SER 81 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wx9 n GLY 82 N 0.59 2.07 3.66 0.46 0.00 -1.26 -5.13 105.19 105.58 1wx9 n GLY 82 Ca -0.01 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1wx9 n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wx9 s PRO 83 N -0.24 4.25 -0.42 1.61 0.04 -1.26 -4.90 135.00 134.08 1wx9 s PRO 83 Ca 0.00 1.68 0.08 0.00 0.04 0.00 0.00 61.00 62.80 1wx9 s PRO 83 Cb 0.00 -3.74 0.18 0.00 0.04 0.00 0.00 34.50 30.98 1wx9 s PRO 83 CO 0.00 -0.67 0.64 0.45 0.04 0.00 0.00 177.00 177.46 1wx9 s SER 84 N 1.95 -1.52 0.20 6.66 0.15 -1.26 -5.02 113.70 114.87 1wx9 s SER 84 Ca 0.56 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1wx9 s SER 84 Cb -0.23 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 66.03 1wx9 s SER 84 CO 0.16 -0.16 0.00 -1.20 1.20 0.00 0.00 173.24 173.24 1wx9 n SER 85 N 4.27 0.27 0.00 5.45 7.64 -1.26 -5.06 113.62 124.94 1wx9 n SER 85 Ca 0.12 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1wx9 n SER 85 Cb 0.57 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 1wx9 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64