#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr6 s GLN 2 N 0.00 2.95 0.35 3.17 -2.07 -1.26 -0.08 119.66 122.72 1wr6 s GLN 2 Ca 0.00 -0.60 0.08 0.00 -1.82 0.00 0.00 55.36 53.03 1wr6 s GLN 2 Cb 0.00 -2.60 -0.07 0.00 -1.09 0.00 0.00 33.01 29.25 1wr6 s GLN 2 CO 0.00 0.51 -0.06 0.96 -1.32 0.00 0.00 175.29 175.38 1wr6 s ILE 3 N -0.42 2.06 -0.07 3.63 -4.36 -0.63 -0.66 121.20 120.76 1wr6 s ILE 3 Ca 0.06 -2.14 0.04 0.00 -0.26 0.00 0.00 60.65 58.35 1wr6 s ILE 3 Cb -0.12 -2.69 -0.02 0.00 1.25 0.00 0.00 42.46 40.88 1wr6 s ILE 3 CO 0.02 -0.17 -0.20 -0.36 0.24 0.00 0.00 174.94 174.48 1wr6 s PHE 4 N -2.72 2.58 -0.25 1.37 2.99 0.12 -1.54 117.98 120.53 1wr6 s PHE 4 Ca 0.33 -0.55 -0.04 0.00 0.00 0.00 0.00 56.93 56.67 1wr6 s PHE 4 Cb 0.04 -1.65 0.01 0.00 0.00 0.00 0.00 43.02 41.42 1wr6 s PHE 4 CO 0.16 -0.11 -0.02 0.08 -0.00 0.00 0.00 175.22 175.33 1wr6 s VAL 5 N -0.22 3.29 -0.02 -0.44 1.01 0.99 0.28 120.40 125.29 1wr6 s VAL 5 Ca -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1wr6 s VAL 5 Cb -0.13 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1wr6 s VAL 5 CO 0.03 0.25 0.01 -0.75 0.00 0.00 0.00 175.10 174.64 1wr6 s LYS 6 N 1.42 2.85 0.40 2.72 2.20 0.60 -0.79 119.74 129.14 1wr6 s LYS 6 Ca 0.03 -0.55 0.08 0.00 -0.36 0.00 0.00 55.97 55.16 1wr6 s LYS 6 Cb -0.16 -2.71 -0.01 0.00 -1.51 0.00 0.00 37.83 33.44 1wr6 s LYS 6 CO -0.03 0.64 0.45 0.95 -0.36 0.00 0.00 175.35 177.01 1wr6 s THR 7 N -1.05 2.99 0.06 3.43 -4.23 -0.25 -0.94 115.64 115.66 1wr6 s THR 7 Ca 0.18 -1.18 0.32 0.00 -1.18 0.00 0.00 61.69 59.83 1wr6 s THR 7 Cb -0.11 -3.05 0.38 0.00 1.34 0.00 0.00 72.50 71.05 1wr6 s THR 7 CO 0.09 -0.03 1.94 -0.07 -0.54 0.00 0.00 174.62 176.01 1wr6 h LEU 8 N 0.88 0.00 -4.67 4.79 3.38 -1.89 -3.20 115.31 114.61 1wr6 h LEU 8 Ca -0.41 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 56.83 1wr6 h LEU 8 Cb 1.27 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.73 1wr6 h LEU 8 CO 0.52 0.02 0.84 0.35 0.09 0.00 0.00 178.44 180.26 1wr6 n THR 9 N -3.12 3.49 0.00 0.22 -2.24 -1.26 -4.91 114.28 106.46 1wr6 n THR 9 Ca 0.01 -3.99 0.00 0.00 -2.27 0.00 0.00 64.05 57.80 1wr6 n THR 9 Cb 0.33 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 1wr6 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wr6 n GLY 10 N -0.64 0.93 3.75 3.38 0.00 -1.21 -4.96 105.19 106.44 1wr6 n GLY 10 Ca 0.55 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.16 1wr6 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wr6 s LYS 11 N 0.00 4.14 -0.11 1.61 2.47 -1.26 -4.82 119.74 121.77 1wr6 s LYS 11 Ca 0.00 2.53 -0.01 0.00 -1.56 0.00 0.00 55.97 56.94 1wr6 s LYS 11 Cb 0.00 -3.03 0.03 0.00 -1.46 0.00 0.00 37.83 33.37 1wr6 s LYS 11 CO 0.00 -0.58 -0.05 0.99 0.16 0.00 0.00 175.35 175.87 1wr6 s THR 12 N -0.22 0.85 -0.05 3.43 2.01 -1.26 -1.09 115.64 119.31 1wr6 s THR 12 Ca 0.61 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.39 1wr6 s THR 12 Cb -0.47 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1wr6 s THR 12 CO 0.50 0.28 -0.13 0.27 -0.69 0.00 0.00 174.62 174.85 1wr6 s ILE 13 N 1.77 3.17 0.00 1.82 -4.36 0.03 -4.95 121.20 118.68 1wr6 s ILE 13 Ca 0.04 -0.69 -0.07 0.00 -0.26 0.00 0.00 60.65 59.67 1wr6 s ILE 13 Cb -0.13 -2.25 -0.05 0.00 1.25 0.00 0.00 42.46 41.28 1wr6 s ILE 13 CO -0.07 0.58 0.26 -0.89 0.24 0.00 0.00 174.94 175.07 1wr6 s THR 14 N -0.75 5.31 0.03 8.37 2.01 -1.26 -0.01 115.64 129.33 1wr6 s THR 14 Ca 0.12 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.32 1wr6 s THR 14 Cb -0.11 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1wr6 s THR 14 CO 0.01 0.38 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.47 1wr6 s LEU 15 N -1.73 2.17 -0.42 4.42 1.02 -0.59 -4.96 118.68 118.59 1wr6 s LEU 15 Ca 0.27 -0.41 -0.16 0.00 0.02 0.00 0.00 54.13 53.85 1wr6 s LEU 15 Cb -0.13 -0.29 0.03 0.00 0.02 0.00 0.00 46.19 45.81 1wr6 s LEU 15 CO 0.16 -0.08 0.35 -1.61 0.02 0.00 0.00 176.35 175.19 1wr6 s GLU 16 N -1.10 3.00 0.41 1.70 0.41 -1.26 -1.60 118.70 120.26 1wr6 s GLU 16 Ca -0.04 -0.99 0.04 0.00 -0.41 0.00 0.00 54.97 53.57 1wr6 s GLU 16 Cb -0.07 -4.00 -0.02 0.00 -1.78 0.00 0.00 34.13 28.26 1wr6 s GLU 16 CO 0.00 -0.82 0.14 0.14 -0.49 0.00 0.00 175.26 174.24 1wr6 s VAL 17 N 1.81 0.53 0.01 2.63 -7.23 0.89 -4.95 120.40 114.10 1wr6 s VAL 17 Ca 0.07 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1wr6 s VAL 17 Cb -0.19 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 1wr6 s VAL 17 CO 0.11 0.00 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.22 1wr6 s GLU 18 N -3.68 0.48 0.46 4.82 2.02 -1.26 -0.84 118.70 120.70 1wr6 s GLU 18 Ca 0.24 -0.42 0.27 0.00 0.02 0.00 0.00 54.97 55.07 1wr6 s GLU 18 Cb 0.02 -0.38 1.31 0.00 0.10 0.00 0.00 34.13 35.18 1wr6 s GLU 18 CO 0.15 0.09 1.77 -1.35 0.02 0.00 0.00 175.26 175.94 1wr6 h PRO 19 N 5.40 0.21 0.00 0.39 0.11 -1.96 0.29 132.00 136.44 1wr6 h PRO 19 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1wr6 h PRO 19 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1wr6 h PRO 19 CO 0.46 0.14 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 1wr6 n SER 20 N -4.47 0.00 -4.77 -2.05 3.41 -1.26 -1.23 113.62 103.26 1wr6 n SER 20 Ca 0.27 -0.14 -0.38 0.00 -0.26 0.00 0.00 58.87 58.35 1wr6 n SER 20 Cb 1.08 -0.27 -0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1wr6 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wr6 s ASP 21 N -2.53 6.14 0.51 4.04 1.01 0.10 -4.84 116.67 121.10 1wr6 s ASP 21 Ca 0.26 2.53 -0.04 0.00 0.71 0.00 0.00 52.55 56.01 1wr6 s ASP 21 Cb 0.18 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 1wr6 s ASP 21 CO 0.40 -0.95 0.80 0.42 0.21 0.00 0.00 175.17 176.05 1wr6 s THR 22 N -1.36 4.38 0.17 -1.27 -4.23 -1.26 -1.80 115.64 110.27 1wr6 s THR 22 Ca 0.61 0.01 -0.13 0.00 -1.18 0.00 0.00 61.69 61.00 1wr6 s THR 22 Cb -0.35 -3.68 0.07 0.00 1.34 0.00 0.00 72.50 69.88 1wr6 s THR 22 CO 0.43 -0.64 1.79 0.40 -0.54 0.00 0.00 174.62 176.07 1wr6 h ILE 23 N 0.14 1.17 0.00 2.99 1.08 -0.95 -1.45 117.51 120.49 1wr6 h ILE 23 Ca -0.46 -0.42 -0.03 0.00 -0.39 0.00 0.00 64.86 63.56 1wr6 h ILE 23 Cb 1.23 0.45 -0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1wr6 h ILE 23 CO 0.61 0.18 -0.14 1.05 -0.69 0.00 0.00 178.15 179.16 1wr6 h GLU 24 N 0.74 0.00 0.00 2.37 4.11 -1.79 0.18 114.58 120.19 1wr6 h GLU 24 Ca 0.20 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.49 1wr6 h GLU 24 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1wr6 h GLU 24 CO -0.03 0.14 -0.67 -0.97 0.07 0.00 0.00 179.01 177.54 1wr6 h ASN 25 N 0.00 0.00 0.26 3.06 -1.24 -1.63 -2.24 115.58 113.80 1wr6 h ASN 25 Ca -0.00 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.82 1wr6 h ASN 25 Cb 0.26 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.31 1wr6 h ASN 25 CO 0.02 0.67 -0.76 0.58 -1.29 0.00 0.00 177.43 176.64 1wr6 h VAL 26 N 0.00 1.38 -0.16 2.57 2.07 0.23 -2.65 116.25 119.69 1wr6 h VAL 26 Ca -0.01 -2.19 -0.14 0.00 0.82 0.00 0.00 66.70 65.19 1wr6 h VAL 26 Cb 1.23 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1wr6 h VAL 26 CO 0.09 0.66 -0.50 0.11 0.02 0.00 0.00 177.57 177.94 1wr6 h LYS 27 N 0.28 0.44 -0.70 1.57 1.57 -0.76 -2.16 116.57 116.81 1wr6 h LYS 27 Ca -0.04 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1wr6 h LYS 27 Cb 1.35 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.65 1wr6 h LYS 27 CO 0.13 0.84 0.33 0.00 -0.57 0.00 0.00 179.45 180.19 1wr6 h ALA 28 N 1.11 1.26 -0.38 3.86 0.00 -1.33 0.38 119.26 124.17 1wr6 h ALA 28 Ca 0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1wr6 h ALA 28 Cb 1.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1wr6 h ALA 28 CO 0.09 0.57 -0.20 0.87 0.00 0.00 0.00 179.25 180.57 1wr6 h LYS 29 N 1.00 0.74 -0.02 0.00 1.57 -1.16 -0.73 116.57 117.97 1wr6 h LYS 29 Ca 0.24 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1wr6 h LYS 29 Cb 0.11 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1wr6 h LYS 29 CO -0.03 0.88 -0.36 0.82 -0.57 0.00 0.00 179.45 180.19 1wr6 h ILE 30 N 0.65 1.27 -0.17 1.86 2.04 -0.68 -2.41 117.51 120.07 1wr6 h ILE 30 Ca 0.10 -1.27 -0.13 0.00 1.00 0.00 0.00 64.86 64.55 1wr6 h ILE 30 Cb 0.69 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1wr6 h ILE 30 CO 0.05 0.37 -0.42 -0.61 0.00 0.00 0.00 178.15 177.54 1wr6 h GLN 31 N 0.03 0.58 0.00 2.37 4.15 -0.03 0.28 115.11 122.49 1wr6 h GLN 31 Ca 0.00 -0.40 -0.05 0.00 0.77 0.00 0.00 58.65 58.97 1wr6 h GLN 31 Cb 0.66 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 1wr6 h GLN 31 CO 0.05 1.01 -0.26 -0.44 -1.93 0.00 0.00 178.83 177.26 1wr6 h ASP 32 N 0.23 0.00 0.06 -0.69 3.32 -0.97 0.57 116.42 118.93 1wr6 h ASP 32 Ca -0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.88 1wr6 h ASP 32 Cb 1.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1wr6 h ASP 32 CO 0.09 0.26 -0.84 0.11 -1.72 0.00 0.00 179.24 177.14 1wr6 h LYS 33 N 0.00 0.12 0.00 3.56 1.57 -1.39 -3.41 116.57 117.02 1wr6 h LYS 33 Ca -0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1wr6 h LYS 33 Cb 0.50 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1wr6 h LYS 33 CO 0.03 1.10 -0.75 -1.91 -0.57 0.00 0.00 179.45 177.35 1wr6 n GLU 34 N -4.29 2.56 -0.48 3.15 4.07 0.08 -5.02 120.64 120.71 1wr6 n GLU 34 Ca -0.20 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 56.88 1wr6 n GLU 34 Cb 0.70 -1.10 0.00 0.00 -0.06 0.00 0.00 31.44 30.98 1wr6 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wr6 n GLY 35 N 1.38 1.29 3.63 8.31 0.00 0.20 -5.01 105.19 115.00 1wr6 n GLY 35 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1wr6 n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wr6 s ILE 36 N -3.20 4.60 0.38 -0.61 1.10 -1.26 -4.97 121.20 117.24 1wr6 s ILE 36 Ca 0.00 1.60 -0.25 0.00 -0.51 0.00 0.00 60.65 61.49 1wr6 s ILE 36 Cb 0.00 -4.34 -0.12 0.00 0.15 0.00 0.00 42.46 38.16 1wr6 s ILE 36 CO 0.00 -0.40 1.00 -2.65 -2.11 0.00 0.00 174.94 170.78 1wr6 n PRO 37 N 6.65 1.36 -0.30 3.50 -0.02 -1.26 -4.15 135.00 140.77 1wr6 n PRO 37 Ca 0.10 0.48 0.06 0.00 -2.02 0.00 0.00 63.50 62.12 1wr6 n PRO 37 Cb 0.47 -1.98 0.21 0.00 -0.02 0.00 0.00 33.50 32.18 1wr6 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wr6 h PRO 38 N 1.67 0.70 0.00 0.52 0.11 -1.95 -1.96 132.00 131.09 1wr6 h PRO 38 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1wr6 h PRO 38 Cb 1.34 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wr6 h PRO 38 CO 0.58 0.47 0.16 -0.40 -0.21 0.00 0.00 178.00 178.59 1wr6 n ASP 39 N -4.80 0.26 -0.56 -2.05 5.75 -1.26 -0.80 116.55 113.09 1wr6 n ASP 39 Ca 0.16 0.53 0.05 0.00 -0.01 0.00 0.00 54.79 55.53 1wr6 n ASP 39 Cb 0.38 -0.53 0.12 0.00 -1.03 0.00 0.00 41.12 40.06 1wr6 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wr6 n GLN 40 N -1.83 2.31 -4.01 0.11 6.02 -0.74 -4.94 117.38 114.30 1wr6 n GLN 40 Ca -0.01 -1.81 -0.35 0.00 -0.01 0.00 0.00 57.00 54.83 1wr6 n GLN 40 Cb 0.18 -1.24 -0.06 0.00 1.02 0.00 0.00 30.24 30.13 1wr6 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1wr6 s GLN 41 N -0.97 3.28 -0.09 -1.09 -0.21 0.02 -0.36 119.66 120.23 1wr6 s GLN 41 Ca 0.20 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1wr6 s GLN 41 Cb 0.11 -3.03 0.02 0.00 1.00 0.00 0.00 33.01 31.11 1wr6 s GLN 41 CO 0.14 0.71 -0.07 1.03 -2.12 0.00 0.00 175.29 174.98 1wr6 s ARG 42 N -1.44 1.34 -0.11 2.91 0.52 -0.84 -4.87 118.95 116.46 1wr6 s ARG 42 Ca 0.20 -0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.19 1wr6 s ARG 42 Cb -0.12 -1.37 -0.03 0.00 0.52 0.00 0.00 34.95 33.95 1wr6 s ARG 42 CO 0.10 -0.19 -0.07 -0.51 0.02 0.00 0.00 175.30 174.65 1wr6 s LEU 43 N 1.45 3.10 -0.04 2.53 1.43 -1.26 -0.64 118.68 125.26 1wr6 s LEU 43 Ca -0.01 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1wr6 s LEU 43 Cb -0.13 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 1wr6 s LEU 43 CO -0.04 0.26 -0.17 -0.63 0.23 0.00 0.00 176.35 176.00 1wr6 s ILE 44 N -0.18 1.41 -0.03 -0.59 1.09 0.29 -0.52 121.20 122.66 1wr6 s ILE 44 Ca 0.02 -0.70 -0.01 0.00 -1.10 0.00 0.00 60.65 58.86 1wr6 s ILE 44 Cb -0.13 -1.21 0.03 0.00 -1.06 0.00 0.00 42.46 40.09 1wr6 s ILE 44 CO 0.03 0.41 0.07 0.12 -0.10 0.00 0.00 174.94 175.46 1wr6 s PHE 45 N 0.08 -0.04 -1.52 3.97 5.36 0.41 -0.98 117.98 125.25 1wr6 s PHE 45 Ca -0.05 0.25 -0.13 0.00 -0.96 0.00 0.00 56.93 56.04 1wr6 s PHE 45 Cb -0.12 -0.17 0.09 0.00 -0.34 0.00 0.00 43.02 42.48 1wr6 s PHE 45 CO 0.02 -0.11 0.91 0.00 -1.46 0.00 0.00 175.22 174.58 1wr6 n ALA 46 N 4.13 -1.24 -0.20 11.12 0.00 -1.26 -1.76 120.51 131.31 1wr6 n ALA 46 Ca -0.27 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wr6 n ALA 46 Cb 0.51 -4.27 0.00 0.00 0.00 0.00 0.00 19.45 15.69 1wr6 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wr6 n GLY 47 N -1.62 1.39 3.17 0.00 0.00 -1.26 -5.05 105.19 101.83 1wr6 n GLY 47 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1wr6 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wr6 s LYS 48 N -0.43 0.84 0.19 1.61 1.02 -0.72 -5.10 119.74 117.15 1wr6 s LYS 48 Ca 0.00 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.74 1wr6 s LYS 48 Cb 0.00 -0.86 -0.08 0.00 -0.52 0.00 0.00 37.83 36.37 1wr6 s LYS 48 CO 0.00 0.19 1.18 -0.65 -0.92 0.00 0.00 175.35 175.15 1wr6 s GLN 49 N -1.70 4.52 0.04 1.68 -0.21 -1.26 -0.45 119.66 122.28 1wr6 s GLN 49 Ca -0.01 1.85 -0.24 0.00 0.02 0.00 0.00 55.36 56.98 1wr6 s GLN 49 Cb -0.10 -3.24 -0.06 0.00 1.00 0.00 0.00 33.01 30.62 1wr6 s GLN 49 CO 0.02 -0.04 0.72 -0.51 -2.12 0.00 0.00 175.29 173.36 1wr6 s LEU 50 N -0.38 4.45 0.13 2.90 1.43 0.33 -4.94 118.68 122.59 1wr6 s LEU 50 Ca 0.51 1.38 -0.25 0.00 -1.03 0.00 0.00 54.13 54.75 1wr6 s LEU 50 Cb -0.32 -3.15 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 1wr6 s LEU 50 CO 0.37 0.05 0.76 -1.61 0.23 0.00 0.00 176.35 176.15 1wr6 s GLU 51 N -0.16 4.53 0.30 1.70 2.02 -1.26 -4.75 118.70 121.08 1wr6 s GLU 51 Ca 0.36 1.11 0.06 0.00 0.02 0.00 0.00 54.97 56.52 1wr6 s GLU 51 Cb -0.20 -3.28 0.76 0.00 0.10 0.00 0.00 34.13 31.51 1wr6 s GLU 51 CO 0.22 0.52 1.74 -0.44 0.02 0.00 0.00 175.26 177.32 1wr6 h ASP 52 N 4.61 0.62 -0.46 -0.19 3.45 -1.96 -2.48 116.42 120.00 1wr6 h ASP 52 Ca -0.47 0.12 -0.19 0.00 0.43 0.00 0.00 57.03 56.92 1wr6 h ASP 52 Cb 1.21 0.03 -0.11 0.00 -0.56 0.00 0.00 39.33 39.89 1wr6 h ASP 52 CO 0.67 0.15 0.24 0.61 -1.57 0.00 0.00 179.24 179.34 1wr6 n GLY 53 N -1.32 3.01 3.34 2.75 0.00 -1.26 -2.71 105.19 109.00 1wr6 n GLY 53 Ca 0.23 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 1wr6 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr6 s ARG 54 N -1.80 1.31 0.30 1.61 0.52 -0.93 -4.98 118.95 114.97 1wr6 s ARG 54 Ca 0.30 -1.52 0.05 0.00 -0.52 0.00 0.00 55.73 54.04 1wr6 s ARG 54 Cb 0.24 -1.20 -0.02 0.00 0.52 0.00 0.00 34.95 34.49 1wr6 s ARG 54 CO 0.07 0.22 0.44 0.95 0.02 0.00 0.00 175.30 176.99 1wr6 s THR 55 N -2.62 4.61 0.33 0.02 -4.23 -1.26 -0.78 115.64 111.72 1wr6 s THR 55 Ca 0.20 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.77 1wr6 s THR 55 Cb -0.03 -3.62 0.27 0.00 1.34 0.00 0.00 72.50 70.46 1wr6 s THR 55 CO 0.07 -0.25 1.99 -0.07 -0.54 0.00 0.00 174.62 175.82 1wr6 h LEU 56 N 0.98 0.81 -1.34 4.79 3.38 -1.27 -1.17 115.31 121.50 1wr6 h LEU 56 Ca -0.49 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.50 1wr6 h LEU 56 Cb 1.24 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1wr6 h LEU 56 CO 0.57 0.58 0.48 -1.28 0.09 0.00 0.00 178.44 178.87 1wr6 h SER 57 N 0.95 0.74 -0.55 -0.43 0.87 -1.42 0.16 113.55 113.87 1wr6 h SER 57 Ca 0.27 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1wr6 h SER 57 Cb -0.08 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 1wr6 h SER 57 CO -0.06 0.50 0.14 0.44 -0.53 0.00 0.00 176.83 177.32 1wr6 h ASP 58 N 0.85 0.87 -0.37 6.23 3.45 -1.49 -1.52 116.42 124.44 1wr6 h ASP 58 Ca 0.29 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.58 1wr6 h ASP 58 Cb 0.09 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 1wr6 h ASP 58 CO -0.09 0.85 0.00 -1.22 -1.57 0.00 0.00 179.24 177.21 1wr6 n TYR 59 N -4.26 0.70 -3.80 4.55 4.02 -0.75 -4.90 117.16 112.72 1wr6 n TYR 59 Ca 0.04 -0.30 -0.28 0.00 -0.01 0.00 0.00 57.90 57.36 1wr6 n TYR 59 Cb 0.24 -0.09 0.04 0.00 -0.02 0.00 0.00 39.34 39.51 1wr6 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1wr6 n ASN 60 N 0.57 -5.10 -4.64 7.72 2.85 -0.57 -4.92 115.26 111.17 1wr6 n ASN 60 Ca 0.14 -0.70 -0.42 0.00 -0.11 0.00 0.00 54.58 53.48 1wr6 n ASN 60 Cb 0.46 -4.27 -0.03 0.00 1.24 0.00 0.00 39.78 37.17 1wr6 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1wr6 s ILE 61 N -3.32 4.72 0.42 -1.44 1.01 0.49 -5.00 121.20 118.08 1wr6 s ILE 61 Ca 0.60 1.64 -0.01 0.00 0.00 0.00 0.00 60.65 62.88 1wr6 s ILE 61 Cb -0.29 -4.23 0.08 0.00 0.01 0.00 0.00 42.46 38.03 1wr6 s ILE 61 CO 0.80 -0.22 0.57 0.00 0.00 0.00 0.00 174.94 176.09 1wr6 n GLN 62 N 6.30 0.15 -2.97 2.79 1.13 -1.26 -4.61 117.38 118.91 1wr6 n GLN 62 Ca 0.08 -1.50 -0.37 0.00 -1.94 0.00 0.00 57.00 53.27 1wr6 n GLN 62 Cb 0.47 -0.40 -0.06 0.00 0.11 0.00 0.00 30.24 30.36 1wr6 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1wr6 s LYS 63 N -3.96 4.45 0.00 -1.09 -2.85 -1.26 -3.30 119.74 111.73 1wr6 s LYS 63 Ca 0.38 1.10 0.00 0.00 -1.00 0.00 0.00 55.97 56.44 1wr6 s LYS 63 Cb -0.02 -2.98 0.00 0.00 -2.06 0.00 0.00 37.83 32.77 1wr6 s LYS 63 CO 0.25 0.42 0.00 0.39 0.10 0.00 0.00 175.35 176.51 1wr6 n GLU 64 N 0.94 -0.02 -1.57 1.78 -0.58 0.17 -5.02 120.64 116.35 1wr6 n GLU 64 Ca -0.02 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.41 1wr6 n GLU 64 Cb 0.50 -2.92 0.06 0.00 -0.57 0.00 0.00 31.44 28.51 1wr6 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wr6 s SER 65 N -2.20 5.13 -0.16 1.62 0.01 -1.21 -4.71 113.70 112.19 1wr6 s SER 65 Ca 0.00 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.03 1wr6 s SER 65 Cb 0.00 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.71 1wr6 s SER 65 CO 0.00 -1.61 -0.15 -0.89 0.41 0.00 0.00 173.24 170.99 1wr6 s THR 66 N -2.81 2.64 0.23 1.44 2.01 -1.26 0.13 115.64 118.03 1wr6 s THR 66 Ca 0.61 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.90 1wr6 s THR 66 Cb -0.16 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1wr6 s THR 66 CO 0.51 0.51 0.17 -0.76 -0.69 0.00 0.00 174.62 174.36 1wr6 s LEU 67 N 0.84 3.77 -0.09 4.42 1.43 0.14 -4.82 118.68 124.37 1wr6 s LEU 67 Ca -0.05 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1wr6 s LEU 67 Cb -0.15 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1wr6 s LEU 67 CO -0.01 -0.01 -0.13 -1.00 0.23 0.00 0.00 176.35 175.43 1wr6 s HIS 68 N -2.06 2.78 -0.20 0.29 3.76 -0.15 -0.29 115.29 119.42 1wr6 s HIS 68 Ca 0.32 -0.38 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 1wr6 s HIS 68 Cb -0.08 -1.75 -0.02 0.00 1.11 0.00 0.00 32.58 31.84 1wr6 s HIS 68 CO 0.24 0.00 -0.04 -1.17 -0.85 0.00 0.00 174.74 172.93 1wr6 s LEU 69 N -0.19 3.02 -0.13 0.89 2.96 -0.11 -0.55 118.68 124.56 1wr6 s LEU 69 Ca 0.00 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1wr6 s LEU 69 Cb -0.13 -1.76 0.03 0.00 0.50 0.00 0.00 46.19 44.83 1wr6 s LEU 69 CO 0.03 0.04 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.32 1wr6 s VAL 70 N 1.14 1.20 0.43 1.68 1.01 0.19 -4.46 120.40 121.58 1wr6 s VAL 70 Ca 0.02 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 1wr6 s VAL 70 Cb -0.15 -1.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.94 1wr6 s VAL 70 CO -0.00 0.34 1.21 -0.76 0.00 0.00 0.00 175.10 175.89 1wr6 s LEU 71 N 1.63 4.12 0.39 3.92 1.02 -1.26 -1.98 118.68 126.52 1wr6 s LEU 71 Ca 0.04 2.42 -0.24 0.00 0.02 0.00 0.00 54.13 56.37 1wr6 s LEU 71 Cb -0.13 -4.08 -0.09 0.00 0.02 0.00 0.00 46.19 41.91 1wr6 s LEU 71 CO -0.09 -0.84 1.02 -0.60 0.02 0.00 0.00 176.35 175.87 1wr6 s ARG 72 N -2.44 4.25 0.30 1.70 3.52 0.51 -4.91 118.95 121.89 1wr6 s ARG 72 Ca 0.60 1.45 -0.29 0.00 -0.13 0.00 0.00 55.73 57.36 1wr6 s ARG 72 Cb -0.32 -2.57 -0.10 0.00 -1.56 0.00 0.00 34.95 30.40 1wr6 s ARG 72 CO 0.40 -0.05 1.23 -0.51 -0.81 0.00 0.00 175.30 175.56 1wr6 s LEU 73 N -2.56 4.47 0.00 -0.88 1.43 -1.26 -5.00 118.68 114.88 1wr6 s LEU 73 Ca 0.57 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 56.18 1wr6 s LEU 73 Cb -0.20 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.38 1wr6 s LEU 73 CO 0.26 -0.38 0.37 0.54 0.23 0.00 0.00 176.35 177.37