#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqj s GLU 3 N 0.00 1.27 0.16 0.54 -1.05 -1.26 -5.07 118.70 113.28 1wqj s GLU 3 Ca 0.00 -0.53 0.05 0.00 -0.15 0.00 0.00 54.97 54.35 1wqj s GLU 3 Cb 0.00 0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 34.22 1wqj s GLU 3 CO 0.00 -0.55 -0.12 0.95 0.95 0.00 0.00 175.26 176.50 1wqj s THR 4 N -3.77 1.33 -0.00 1.83 -4.23 -1.26 -1.32 115.64 108.22 1wqj s THR 4 Ca 0.02 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.51 1wqj s THR 4 Cb -0.01 -1.84 -0.01 0.00 1.34 0.00 0.00 72.50 71.98 1wqj s THR 4 CO -0.12 -0.66 -0.09 -0.76 -0.54 0.00 0.00 174.62 172.45 1wqj s LEU 5 N -3.09 2.03 0.09 4.79 1.43 -0.64 -4.96 118.68 118.31 1wqj s LEU 5 Ca 0.17 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1wqj s LEU 5 Cb 0.01 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.76 1wqj s LEU 5 CO 0.02 0.10 -0.08 0.00 0.23 0.00 0.00 176.35 176.62 1wqj n GLY 7 N 0.51 2.16 0.33 0.00 0.00 -1.26 -2.44 105.19 104.49 1wqj n GLY 7 Ca -0.16 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.36 1wqj n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqj h ALA 8 N -0.76 1.58 -0.75 4.61 0.00 -1.99 -2.06 119.26 119.89 1wqj h ALA 8 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1wqj h ALA 8 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1wqj h ALA 8 CO 0.00 0.39 0.28 0.93 0.00 0.00 0.00 179.25 180.84 1wqj h GLU 9 N 0.80 1.12 -0.34 0.00 5.08 -1.90 0.89 114.58 120.23 1wqj h GLU 9 Ca 0.22 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1wqj h GLU 9 Cb -0.09 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1wqj h GLU 9 CO -0.05 0.93 0.12 1.25 -1.00 0.00 0.00 179.01 180.26 1wqj h LEU 10 N 1.09 0.48 -0.71 1.33 5.85 -1.04 -1.26 115.31 121.05 1wqj h LEU 10 Ca 0.25 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1wqj h LEU 10 Cb 0.24 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1wqj h LEU 10 CO -0.02 0.54 0.42 0.58 -0.34 0.00 0.00 178.44 179.62 1wqj h VAL 11 N 0.39 1.21 -0.68 1.05 2.07 -1.04 -0.58 116.25 118.67 1wqj h VAL 11 Ca 0.11 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.21 1wqj h VAL 11 Cb 0.22 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 1wqj h VAL 11 CO -0.01 0.22 0.39 0.44 0.02 0.00 0.00 177.57 178.64 1wqj h ASP 12 N 0.97 0.60 -0.52 0.57 3.32 -0.57 -0.77 116.42 120.03 1wqj h ASP 12 Ca 0.25 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 1wqj h ASP 12 Cb -0.01 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1wqj h ASP 12 CO -0.05 0.40 0.01 0.00 -1.72 0.00 0.00 179.24 177.88 1wqj h ALA 13 N 1.34 0.69 -1.00 3.45 0.00 -0.91 -1.84 119.26 120.99 1wqj h ALA 13 Ca 0.30 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1wqj h ALA 13 Cb 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1wqj h ALA 13 CO -0.16 0.50 0.66 -0.07 0.00 0.00 0.00 179.25 180.18 1wqj h LEU 14 N 0.78 1.15 -0.77 0.00 3.38 -0.65 -1.30 115.31 117.90 1wqj h LEU 14 Ca 0.15 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1wqj h LEU 14 Cb 0.52 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1wqj h LEU 14 CO 0.03 0.84 -0.15 1.56 0.09 0.00 0.00 178.44 180.81 1wqj h GLN 15 N 1.36 0.78 -0.20 1.13 4.20 -0.89 -0.03 115.11 121.45 1wqj h GLN 15 Ca 0.37 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1wqj h GLN 15 Cb -0.15 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 1wqj h GLN 15 CO -0.08 0.88 -0.10 0.35 -0.67 0.00 0.00 178.83 179.21 1wqj h PHE 16 N 0.70 0.33 0.07 2.96 3.57 -0.93 0.44 116.94 124.08 1wqj h PHE 16 Ca 0.11 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 1wqj h PHE 16 Cb 0.64 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.29 1wqj h PHE 16 CO 0.03 0.42 -0.45 0.28 -2.23 0.00 0.00 178.31 176.37 1wqj h VAL 17 N 0.30 1.63 0.00 1.41 2.07 -1.01 -3.39 116.25 117.26 1wqj h VAL 17 Ca 0.06 -2.44 -0.12 0.00 0.82 0.00 0.00 66.70 65.02 1wqj h VAL 17 Cb 0.38 3.27 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1wqj h VAL 17 CO 0.02 0.66 -0.99 0.00 0.02 0.00 0.00 177.57 177.28 1wqj n GLY 19 N 1.30 2.78 0.00 0.00 0.00 0.14 -2.41 105.19 107.00 1wqj n GLY 19 Ca -0.04 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.82 1wqj n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wqj n ASP 20 N 1.37 0.00 0.04 1.61 8.00 -1.26 -2.60 116.55 123.70 1wqj n ASP 20 Ca 0.00 0.49 0.09 0.00 0.71 0.00 0.00 54.79 56.08 1wqj n ASP 20 Cb 0.00 -0.50 0.53 0.00 -0.02 0.00 0.00 41.12 41.13 1wqj n ASP 20 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1wqj h ARG 21 N 0.00 0.31 0.00 -1.24 3.08 -1.81 -3.49 114.38 111.22 1wqj h ARG 21 Ca 0.00 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.15 1wqj h ARG 21 Cb 0.32 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1wqj h ARG 21 CO 0.00 0.20 -0.15 0.41 -1.07 0.00 0.00 179.97 179.36 1wqj n GLY 22 N -1.52 -2.12 3.46 0.04 0.00 -1.07 -4.32 105.19 99.65 1wqj n GLY 22 Ca 0.04 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 1wqj n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wqj s PHE 23 N -1.28 0.61 0.11 1.61 -0.12 -1.26 -1.00 117.98 116.65 1wqj s PHE 23 Ca 0.00 -0.93 0.10 0.00 -0.05 0.00 0.00 56.93 56.05 1wqj s PHE 23 Cb 0.00 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 1wqj s PHE 23 CO 0.00 -0.88 -0.26 0.71 -0.05 0.00 0.00 175.22 174.74 1wqj s TYR 24 N -4.06 2.34 -0.15 3.49 1.51 -0.26 -4.78 117.35 115.44 1wqj s TYR 24 Ca 0.28 -0.37 0.15 0.00 -1.01 0.00 0.00 57.07 56.11 1wqj s TYR 24 Cb 0.02 -1.29 0.05 0.00 -0.11 0.00 0.00 41.96 40.63 1wqj s TYR 24 CO 0.10 0.31 1.44 0.74 -1.11 0.00 0.00 175.55 177.02 1wqj h PHE 25 N 4.03 0.00 -3.85 2.71 -1.00 -1.96 -3.45 116.94 113.42 1wqj h PHE 25 Ca -0.50 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.12 1wqj h PHE 25 Cb 1.16 0.00 -0.21 0.00 3.61 0.00 0.00 35.95 40.52 1wqj h PHE 25 CO 0.58 0.53 -0.64 -0.80 -1.61 0.00 0.00 178.31 176.36 1wqj s ASN 26 N -6.47 0.18 -0.03 2.17 -0.87 -1.26 -1.60 114.94 107.06 1wqj s ASN 26 Ca 0.04 -0.42 0.01 0.00 -1.57 0.00 0.00 52.86 50.92 1wqj s ASN 26 Cb 0.08 0.13 0.02 0.00 -0.02 0.00 0.00 41.25 41.46 1wqj s ASN 26 CO 0.75 -0.32 -0.02 -0.54 -2.57 0.00 0.00 177.10 174.40 1wqj s LYS 27 N -1.43 0.54 0.52 -0.60 3.01 -0.47 -5.00 119.74 116.31 1wqj s LYS 27 Ca -0.16 -0.01 -0.21 0.00 -1.01 0.00 0.00 55.97 54.58 1wqj s LYS 27 Cb -0.09 -0.63 -0.06 0.00 -1.01 0.00 0.00 37.83 36.03 1wqj s LYS 27 CO -0.00 -0.10 1.17 -1.25 0.51 0.00 0.00 175.35 175.67 1wqj s PRO 28 N 0.94 3.45 0.44 -1.68 0.04 -1.26 -1.69 135.00 135.23 1wqj s PRO 28 Ca -0.11 1.75 0.24 0.00 0.04 0.00 0.00 61.00 62.92 1wqj s PRO 28 Cb -0.14 -2.18 0.89 0.00 0.04 0.00 0.00 34.50 33.12 1wqj s PRO 28 CO -0.01 -0.80 1.82 1.79 0.04 0.00 0.00 177.00 179.84 1wqj h THR 29 N 1.45 0.57 0.00 1.26 1.35 -1.63 -3.47 112.91 112.45 1wqj h THR 29 Ca -0.50 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1wqj h THR 29 Cb 1.26 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1wqj h THR 29 CO 0.58 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 1wqj n GLY 30 N 0.17 0.99 3.46 5.82 0.00 -1.26 -5.06 105.19 109.31 1wqj n GLY 30 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1wqj n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wqj s TYR 31 N -2.48 2.20 0.64 1.61 1.51 -1.26 -5.13 117.35 114.44 1wqj s TYR 31 Ca 0.00 -0.42 -0.13 0.00 -1.01 0.00 0.00 57.07 55.51 1wqj s TYR 31 Cb 0.00 -1.03 -0.01 0.00 -0.11 0.00 0.00 41.96 40.81 1wqj s TYR 31 CO 0.00 0.62 1.06 0.20 -1.11 0.00 0.00 175.55 176.31 1wqj s GLY 32 N -3.49 1.91 0.17 0.71 0.00 -1.26 -4.65 107.32 100.71 1wqj s GLY 32 Ca 0.29 0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.96 1wqj s GLY 32 CO 0.14 0.57 1.42 -0.45 0.00 0.00 0.00 173.10 174.78 1wqj s SER 33 N -3.24 6.75 0.22 1.64 0.15 -1.26 -4.78 113.70 113.18 1wqj s SER 33 Ca 0.61 2.47 0.07 0.00 0.70 0.00 0.00 55.95 59.80 1wqj s SER 33 Cb -0.15 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.52 1wqj s SER 33 CO 0.45 -0.68 0.13 -0.55 1.20 0.00 0.00 173.24 173.79 1wqj s SER 34 N 0.82 5.29 0.39 5.45 0.15 0.26 -4.95 113.70 121.12 1wqj s SER 34 Ca 0.63 -0.29 0.16 0.00 0.70 0.00 0.00 55.95 57.15 1wqj s SER 34 Cb -0.39 -1.29 1.03 0.00 -1.71 0.00 0.00 66.02 63.66 1wqj s SER 34 CO 0.34 0.02 1.82 0.28 1.20 0.00 0.00 173.24 176.90 1wqj h SER 35 N 1.98 0.48 -0.61 5.45 0.02 -2.02 -1.55 113.55 117.31 1wqj h SER 35 Ca -0.47 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1wqj h SER 35 Cb 1.22 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1wqj h SER 35 CO 0.61 0.17 0.00 -2.11 -1.14 0.00 0.00 176.83 174.36 1wqj n ARG 36 N -4.58 2.43 -3.62 3.45 1.85 -1.26 -4.92 116.66 110.01 1wqj n ARG 36 Ca 0.22 -2.22 -0.04 0.00 -1.00 0.00 0.00 57.85 54.80 1wqj n ARG 36 Cb 0.72 -1.48 -0.06 0.00 -1.05 0.00 0.00 32.46 30.59 1wqj n ARG 36 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1wqj s ARG 37 N -1.19 0.47 0.76 2.89 0.52 -0.58 -5.15 118.95 116.67 1wqj s ARG 37 Ca 0.41 1.24 -0.13 0.00 -0.52 0.00 0.00 55.73 56.73 1wqj s ARG 37 Cb 0.22 0.60 0.06 0.00 0.52 0.00 0.00 34.95 36.35 1wqj s ARG 37 CO 0.28 -0.26 1.16 0.00 0.02 0.00 0.00 175.30 176.51 1wqj s ALA 38 N 2.77 2.07 -0.97 2.13 0.00 -1.26 -0.57 121.76 125.92 1wqj s ALA 38 Ca -0.02 0.67 0.26 0.00 0.00 0.00 0.00 51.96 52.86 1wqj s ALA 38 Cb -0.12 -3.41 0.60 0.00 0.00 0.00 0.00 23.12 20.19 1wqj s ALA 38 CO -0.17 -1.93 1.49 -0.35 0.00 0.00 0.00 175.76 174.80 1wqj n PRO 39 N -3.09 0.02 -4.19 0.00 -0.04 -1.26 -4.78 135.00 121.65 1wqj n PRO 39 Ca 0.12 0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.43 1wqj n PRO 39 Cb 0.51 -1.51 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 1wqj n PRO 39 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1wqj s GLN 40 N -3.01 0.89 0.08 0.54 -0.21 -1.26 -1.60 119.66 115.09 1wqj s GLN 40 Ca 0.11 -1.15 0.06 0.00 0.02 0.00 0.00 55.36 54.40 1wqj s GLN 40 Cb 0.17 -0.68 -0.04 0.00 1.00 0.00 0.00 33.01 33.47 1wqj s GLN 40 CO 0.68 0.12 -0.08 0.95 -2.12 0.00 0.00 175.29 174.84 1wqj s THR 41 N -2.19 3.54 0.00 -0.19 -4.23 -0.68 -4.91 115.64 106.98 1wqj s THR 41 Ca 0.05 -1.10 0.07 0.00 -1.18 0.00 0.00 61.69 59.53 1wqj s THR 41 Cb -0.04 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 71.14 1wqj s THR 41 CO 0.01 0.18 -0.21 -0.83 -0.54 0.00 0.00 174.62 173.23 1wqj s GLY 42 N -2.03 1.08 0.40 3.99 0.00 -1.26 -1.37 107.32 108.13 1wqj s GLY 42 Ca 0.21 -0.97 0.12 0.00 0.00 0.00 0.00 44.72 44.08 1wqj s GLY 42 CO 0.13 -0.84 1.91 1.19 0.00 0.00 0.00 173.10 175.49 1wqj h ILE 43 N 4.53 1.19 -0.05 0.90 6.09 -1.61 -1.30 117.51 127.26 1wqj h ILE 43 Ca -0.41 -0.89 -0.00 0.00 -1.37 0.00 0.00 64.86 62.19 1wqj h ILE 43 Cb 1.14 1.41 -0.00 0.00 0.47 0.00 0.00 36.82 39.84 1wqj h ILE 43 CO 0.47 0.26 0.02 0.58 -3.07 0.00 0.00 178.15 176.41 1wqj h VAL 44 N 0.08 1.12 -0.97 2.19 2.07 -1.95 -0.04 116.25 118.75 1wqj h VAL 44 Ca 0.01 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1wqj h VAL 44 Cb 0.45 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1wqj h VAL 44 CO 0.03 0.10 0.63 -0.78 0.02 0.00 0.00 177.57 177.57 1wqj h ASP 45 N -0.06 1.05 0.89 0.57 3.58 -1.80 0.11 116.42 120.76 1wqj h ASP 45 Ca 0.02 -0.01 -0.23 0.00 0.42 0.00 0.00 57.03 57.23 1wqj h ASP 45 Cb 0.14 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 1wqj h ASP 45 CO -0.00 0.72 -1.12 -0.33 -2.88 0.00 0.00 179.24 175.63 1wqj h GLU 46 N 1.22 0.04 0.00 0.28 5.08 -1.14 -2.76 114.58 117.29 1wqj h GLU 46 Ca 0.39 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 58.39 1wqj h GLU 46 Cb 0.02 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 1wqj h GLU 46 CO -0.13 0.97 -2.10 0.00 -1.00 0.00 0.00 179.01 176.76 1wqj n PHE 49 N -3.40 0.00 0.00 0.00 3.72 -1.09 -4.75 117.46 111.94 1wqj n PHE 49 Ca -0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 1wqj n PHE 49 Cb 1.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 1wqj n PHE 49 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1wqj n ARG 50 N -0.75 0.00 -3.64 -1.08 1.74 -1.05 -5.00 116.66 106.88 1wqj n ARG 50 Ca 0.06 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.04 1wqj n ARG 50 Cb 0.36 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.73 1wqj n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wqj s SER 51 N 1.00 -0.84 0.01 0.55 1.04 -0.52 -4.90 113.70 110.03 1wqj s SER 51 Ca 0.00 1.43 0.04 0.00 0.48 0.00 0.00 55.95 57.91 1wqj s SER 51 Cb 0.00 1.36 -0.03 0.00 0.10 0.00 0.00 66.02 67.44 1wqj s SER 51 CO 0.00 -0.24 -0.10 0.00 0.98 0.00 0.00 173.24 173.88 1wqj s ASP 53 N -1.37 0.00 0.34 0.00 1.47 -1.26 -4.51 116.67 111.33 1wqj s ASP 53 Ca 0.16 -0.95 0.02 0.00 1.18 0.00 0.00 52.55 52.96 1wqj s ASP 53 Cb -0.11 0.67 0.59 0.00 -0.34 0.00 0.00 42.92 43.73 1wqj s ASP 53 CO 0.06 -1.30 1.96 -0.07 0.68 0.00 0.00 175.17 176.51 1wqj h LEU 54 N 2.13 0.71 -0.34 2.11 3.38 -2.00 -1.89 115.31 119.42 1wqj h LEU 54 Ca -0.25 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1wqj h LEU 54 Cb 1.25 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1wqj h LEU 54 CO 0.33 0.58 0.17 -0.09 0.09 0.00 0.00 178.44 179.52 1wqj h ARG 55 N 0.81 0.34 -0.44 1.13 1.12 -1.99 -1.58 114.38 113.78 1wqj h ARG 55 Ca 0.21 -0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 58.98 1wqj h ARG 55 Cb 0.02 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.89 1wqj h ARG 55 CO -0.03 0.22 -0.03 -0.09 -3.11 0.00 0.00 179.97 176.93 1wqj h ARG 56 N 0.35 0.79 -0.53 0.20 9.65 -1.77 -2.54 114.38 120.53 1wqj h ARG 56 Ca 0.14 -0.27 0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1wqj h ARG 56 Cb 0.05 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 1wqj h ARG 56 CO -0.10 0.88 0.32 -0.07 2.80 0.00 0.00 179.97 183.80 1wqj h LEU 57 N 0.63 0.52 -1.81 3.80 3.38 -1.25 -2.55 115.31 118.03 1wqj h LEU 57 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1wqj h LEU 57 Cb 0.54 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1wqj h LEU 57 CO 0.03 0.36 -0.05 -0.08 0.09 0.00 0.00 178.44 178.80 1wqj h GLU 58 N 0.63 0.06 0.00 1.13 4.57 -0.99 -0.91 114.58 119.07 1wqj h GLU 58 Ca 0.21 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1wqj h GLU 58 Cb 0.02 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1wqj h GLU 58 CO -0.10 0.11 0.00 0.52 -1.18 0.00 0.00 179.01 178.37 1wqj h MET 59 N 0.06 0.00 -0.12 1.92 2.86 -1.04 -2.46 114.93 116.15 1wqj h MET 59 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1wqj h MET 59 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1wqj h MET 59 CO 0.01 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.64 1wqj n TYR 60 N -2.88 0.12 -2.25 -0.22 4.02 -0.35 -4.95 117.16 110.65 1wqj n TYR 60 Ca -0.00 -0.07 -0.38 0.00 -0.01 0.00 0.00 57.90 57.43 1wqj n TYR 60 Cb 0.21 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.52 1wqj n TYR 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wqj s ALA 62 N -1.42 2.69 -0.98 0.00 0.00 -0.17 -4.82 121.76 117.05 1wqj s ALA 62 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1wqj s ALA 62 Cb -0.31 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1wqj s ALA 62 CO 0.39 -1.21 0.25 -2.30 0.00 0.00 0.00 175.76 172.88