#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxl n HIS 3 N 0.00 0.00 -3.65 7.33 -0.00 -1.26 -4.52 115.22 113.13 1wxl n HIS 3 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 1wxl n HIS 3 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.92 1wxl n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1wxl s MET 4 N 0.00 0.11 -0.10 -0.41 1.00 -1.26 -5.13 119.30 113.51 1wxl s MET 4 Ca 0.00 0.15 -0.39 0.00 0.00 0.00 0.00 55.69 55.45 1wxl s MET 4 Cb 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 34.83 34.71 1wxl s MET 4 CO 0.00 -0.02 1.51 -0.35 0.00 0.00 0.00 175.02 176.16 1wxl n PRO 5 N 2.19 1.05 0.00 2.03 -0.04 -1.26 -4.97 135.00 134.00 1wxl n PRO 5 Ca -0.13 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1wxl n PRO 5 Cb 0.57 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1wxl n PRO 5 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wxl n LYS 6 N 3.75 0.43 -1.90 0.54 4.81 -1.26 -4.88 118.16 119.65 1wxl n LYS 6 Ca 0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.65 1wxl n LYS 6 Cb 0.15 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.20 1wxl n LYS 6 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wxl n ARG 7 N 0.00 0.08 -0.71 1.64 5.12 -1.26 -4.60 116.66 116.92 1wxl n ARG 7 Ca 0.00 -0.33 0.00 0.00 -1.93 0.00 0.00 57.85 55.59 1wxl n ARG 7 Cb 0.00 0.31 0.00 0.00 -1.16 0.00 0.00 32.46 31.61 1wxl n ARG 7 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wxl n ALA 8 N -2.73 0.00 -2.57 7.54 0.00 -1.26 -5.00 120.51 116.48 1wxl n ALA 8 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1wxl n ALA 8 Cb 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.40 1wxl n ALA 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wxl s THR 9 N 1.25 1.53 0.61 0.00 -4.23 -1.26 -4.94 115.64 108.59 1wxl s THR 9 Ca 0.00 -1.52 -0.15 0.00 -1.18 0.00 0.00 61.69 58.84 1wxl s THR 9 Cb 0.00 -1.44 -0.03 0.00 1.34 0.00 0.00 72.50 72.37 1wxl s THR 9 CO 0.00 -0.15 1.06 0.42 -0.54 0.00 0.00 174.62 175.41 1wxl s THR 10 N -1.34 3.76 0.32 3.99 -4.23 -1.26 -3.96 115.64 112.92 1wxl s THR 10 Ca 0.05 0.81 0.10 0.00 -1.18 0.00 0.00 61.69 61.47 1wxl s THR 10 Cb -0.09 -3.35 0.32 0.00 1.34 0.00 0.00 72.50 70.72 1wxl s THR 10 CO 0.04 -0.52 1.67 0.00 -0.54 0.00 0.00 174.62 175.27 1wxl h ALA 11 N 0.29 1.73 0.01 3.99 0.00 -1.87 0.49 119.26 123.91 1wxl h ALA 11 Ca -0.47 0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 1wxl h ALA 11 Cb 1.22 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1wxl h ALA 11 CO 0.57 -0.50 -0.92 0.35 0.00 0.00 0.00 179.25 178.75 1wxl h PHE 12 N 0.32 0.19 -0.01 0.00 3.04 -1.94 -3.13 116.94 115.41 1wxl h PHE 12 Ca 0.67 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 62.51 1wxl h PHE 12 Cb 1.45 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.95 1wxl h PHE 12 CO -0.09 0.97 -0.37 -1.33 -2.02 0.00 0.00 178.31 175.48 1wxl n MET 13 N -3.57 0.63 -0.08 1.11 2.81 0.13 -2.18 117.12 115.97 1wxl n MET 13 Ca -0.03 -0.40 -0.11 0.00 -1.81 0.00 0.00 57.70 55.36 1wxl n MET 13 Cb 0.84 -1.49 -0.15 0.00 -0.71 0.00 0.00 33.22 31.71 1wxl n MET 13 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1wxl n LEU 14 N -0.84 0.52 0.12 4.03 -0.00 0.11 -3.69 117.00 117.25 1wxl n LEU 14 Ca 0.10 0.10 -0.24 0.00 -0.00 0.00 0.00 56.01 55.97 1wxl n LEU 14 Cb 0.35 0.27 -0.16 0.00 -0.00 0.00 0.00 43.42 43.88 1wxl n LEU 14 CO 0.29 0.52 -0.21 -0.25 -0.00 0.00 0.00 177.39 177.74 1wxl h TRP 15 N 0.00 0.87 0.00 1.47 7.01 -1.66 -2.98 115.95 120.66 1wxl h TRP 15 Ca -0.48 -0.63 0.00 0.00 2.11 0.00 0.00 58.89 59.88 1wxl h TRP 15 Cb 2.16 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 29.18 1wxl h TRP 15 CO 0.00 1.53 0.00 1.25 -2.79 0.00 0.00 178.44 178.43 1wxl h LEU 16 N 0.03 0.00 0.13 0.65 5.85 -1.63 1.77 115.31 122.12 1wxl h LEU 16 Ca -0.24 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1wxl h LEU 16 Cb 2.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.08 1wxl h LEU 16 CO 0.24 0.00 -0.06 -1.13 -0.34 0.00 0.00 178.44 177.15 1wxl h ASN 17 N 0.00 -0.15 1.16 1.25 -0.73 -1.60 2.84 115.58 118.35 1wxl h ASN 17 Ca 0.00 -0.40 -0.11 0.00 1.87 0.00 0.00 56.30 57.66 1wxl h ASN 17 Cb 0.09 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 1wxl h ASN 17 CO 0.00 0.42 -0.52 -0.78 -0.37 0.00 0.00 177.43 176.18 1wxl h ASP 18 N -0.83 0.00 0.00 1.15 1.82 -1.21 -3.23 116.42 114.11 1wxl h ASP 18 Ca -0.02 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.46 1wxl h ASP 18 Cb 0.54 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.52 1wxl h ASP 18 CO 0.03 0.52 -2.04 0.41 -1.61 0.00 0.00 179.24 176.55 1wxl n THR 19 N -3.37 0.60 -0.24 2.25 -1.04 0.60 -3.97 114.28 109.10 1wxl n THR 19 Ca 0.01 -0.59 0.05 0.00 -2.04 0.00 0.00 64.05 61.48 1wxl n THR 19 Cb 0.67 -0.23 0.29 0.00 -1.82 0.00 0.00 70.33 69.25 1wxl n THR 19 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 1wxl h ARG 20 N 0.00 0.88 -0.82 -2.82 0.11 0.50 1.47 114.38 113.71 1wxl h ARG 20 Ca -0.24 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 59.78 1wxl h ARG 20 Cb 1.47 -0.20 -0.04 0.00 1.11 0.00 0.00 29.97 32.32 1wxl h ARG 20 CO 0.01 0.58 0.46 1.05 0.10 0.00 0.00 179.97 182.17 1wxl h GLU 21 N 0.90 1.13 0.00 0.08 4.11 -1.68 -0.09 114.58 119.03 1wxl h GLU 21 Ca 0.35 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1wxl h GLU 21 Cb 0.20 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1wxl h GLU 21 CO -0.12 0.82 0.00 0.77 0.07 0.00 0.00 179.01 180.55 1wxl h SER 22 N 1.13 0.00 0.22 3.06 0.02 0.15 -2.80 113.55 115.33 1wxl h SER 22 Ca 0.29 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.94 1wxl h SER 22 Cb 0.01 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.58 1wxl h SER 22 CO -0.05 0.00 -1.35 0.40 -1.14 0.00 0.00 176.83 174.69 1wxl h ILE 23 N 0.00 1.30 0.00 3.27 2.04 0.24 -1.69 117.51 122.67 1wxl h ILE 23 Ca 0.00 -2.64 -0.10 0.00 1.00 0.00 0.00 64.86 63.12 1wxl h ILE 23 Cb 0.37 3.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.48 1wxl h ILE 23 CO 0.00 0.79 -0.49 0.50 0.00 0.00 0.00 178.15 178.95 1wxl h LYS 24 N 0.01 0.00 -0.03 2.37 1.63 -1.25 0.14 116.57 119.44 1wxl h LYS 24 Ca -0.24 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.52 1wxl h LYS 24 Cb 2.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.67 1wxl h LYS 24 CO 0.23 0.49 -0.14 0.00 -3.45 0.00 0.00 179.45 176.59 1wxl h ARG 25 N 0.00 0.15 0.00 1.90 -0.00 -1.56 0.89 114.38 115.76 1wxl h ARG 25 Ca -0.00 -0.12 0.00 0.00 -0.50 0.00 0.00 59.98 59.35 1wxl h ARG 25 Cb 0.92 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.92 1wxl h ARG 25 CO 0.06 0.77 0.00 0.39 0.00 0.00 0.00 179.97 181.19 1wxl n GLU 26 N -4.62 0.09 -2.86 0.04 -0.58 -0.64 -3.78 120.64 108.29 1wxl n GLU 26 Ca -0.09 0.45 -0.05 0.00 -0.42 0.00 0.00 57.16 57.06 1wxl n GLU 26 Cb 0.40 -1.72 -0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1wxl n GLU 26 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1wxl s ASN 27 N -3.61 -1.26 0.00 1.62 0.01 0.47 -5.01 114.94 107.16 1wxl s ASN 27 Ca 0.02 -1.69 0.00 0.00 -0.71 0.00 0.00 52.86 50.48 1wxl s ASN 27 Cb 0.06 1.75 0.00 0.00 0.41 0.00 0.00 41.25 43.48 1wxl s ASN 27 CO 0.22 -0.08 0.54 -0.81 -1.51 0.00 0.00 177.10 175.47 1wxl n PRO 28 N 3.14 0.76 -0.42 -0.60 -0.04 0.31 -2.78 135.00 135.37 1wxl n PRO 28 Ca 0.18 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.70 1wxl n PRO 28 Cb 0.55 -1.22 0.11 0.00 -0.04 0.00 0.00 33.50 32.90 1wxl n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wxl n GLY 29 N 0.18 3.48 0.00 0.55 0.00 -1.26 -5.05 105.19 103.09 1wxl n GLY 29 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1wxl n GLY 29 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wxl n ILE 30 N -0.83 0.00 -3.45 -0.61 -5.35 -1.12 -5.16 119.36 102.85 1wxl n ILE 30 Ca 0.12 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.49 1wxl n ILE 30 Cb 0.72 -0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 38.28 1wxl n ILE 30 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1wxl s LYS 31 N 3.45 1.15 0.33 6.28 0.00 -1.26 -4.99 119.74 124.70 1wxl s LYS 31 Ca 0.00 -0.42 0.27 0.00 0.00 0.00 0.00 55.97 55.82 1wxl s LYS 31 Cb 0.00 0.53 1.08 0.00 0.00 0.00 0.00 37.83 39.44 1wxl s LYS 31 CO 0.00 -0.50 1.05 1.33 0.00 0.00 0.00 175.35 177.23 1wxl n VAL 32 N -0.34 -0.10 0.10 1.79 0.24 -1.26 0.21 118.33 118.98 1wxl n VAL 32 Ca -0.14 1.12 -0.01 0.00 -2.04 0.00 0.00 64.34 63.27 1wxl n VAL 32 Cb 0.64 -1.85 -0.03 0.00 -1.47 0.00 0.00 33.84 31.13 1wxl n VAL 32 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1wxl h THR 33 N 0.00 1.08 0.00 3.34 1.35 -1.99 -2.96 112.91 113.73 1wxl h THR 33 Ca 0.61 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 1wxl h THR 33 Cb 2.19 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 71.13 1wxl h THR 33 CO -0.18 0.62 -0.82 -0.08 -0.25 0.00 0.00 175.52 174.81 1wxl h GLU 34 N 0.00 0.00 -0.01 4.72 4.57 0.22 -2.60 114.58 121.47 1wxl h GLU 34 Ca -0.03 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1wxl h GLU 34 Cb 1.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 1wxl h GLU 34 CO 0.08 0.00 -0.09 0.82 -1.18 0.00 0.00 179.01 178.65 1wxl h ILE 35 N 0.00 1.54 0.00 2.32 2.04 -1.27 0.39 117.51 122.53 1wxl h ILE 35 Ca 0.00 -1.70 -0.07 0.00 1.00 0.00 0.00 64.86 64.09 1wxl h ILE 35 Cb 0.90 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 1wxl h ILE 35 CO 0.00 0.45 -0.35 0.00 0.00 0.00 0.00 178.15 178.26 1wxl h ALA 36 N 0.32 0.93 0.00 1.87 0.00 -1.64 -1.96 119.26 118.77 1wxl h ALA 36 Ca -0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 1wxl h ALA 36 Cb 0.79 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1wxl h ALA 36 CO 0.02 0.43 -1.32 1.17 0.00 0.00 0.00 179.25 179.55 1wxl n LYS 37 N -3.40 0.55 0.07 0.00 4.81 -0.98 -3.67 118.16 115.53 1wxl n LYS 37 Ca 0.00 0.51 0.10 0.00 -0.87 0.00 0.00 58.31 58.06 1wxl n LYS 37 Cb 0.53 -1.69 0.42 0.00 0.02 0.00 0.00 35.03 34.31 1wxl n LYS 37 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1wxl n LYS 38 N -4.44 0.11 -0.02 1.64 -0.00 0.14 -2.80 118.16 112.79 1wxl n LYS 38 Ca -0.31 0.31 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1wxl n LYS 38 Cb 0.64 -1.69 -0.14 0.00 -0.00 0.00 0.00 35.03 33.84 1wxl n LYS 38 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1wxl h GLY 39 N 2.69 0.15 0.54 2.58 0.00 -1.44 -3.29 103.07 104.29 1wxl h GLY 39 Ca 0.00 -0.39 0.09 0.00 0.00 0.00 0.00 47.33 47.03 1wxl h GLY 39 CO 0.00 0.35 0.47 -1.33 0.00 0.00 0.00 176.54 176.02 1wxl h GLY 40 N -0.67 1.26 0.43 4.60 0.00 -1.59 0.47 103.07 107.56 1wxl h GLY 40 Ca -0.10 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 46.98 1wxl h GLY 40 CO 0.05 0.13 0.05 1.05 0.00 0.00 0.00 176.54 177.82 1wxl h GLU 41 N 0.79 0.16 -0.17 4.80 4.11 -1.65 0.21 114.58 122.83 1wxl h GLU 41 Ca 0.39 -0.01 -0.21 0.00 0.07 0.00 0.00 59.36 59.60 1wxl h GLU 41 Cb 0.35 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1wxl h GLU 41 CO -0.24 0.10 -0.74 0.00 0.07 0.00 0.00 179.01 178.21 1wxl h MET 42 N 0.16 0.78 -0.42 1.06 -0.00 -1.43 -3.29 114.93 111.79 1wxl h MET 42 Ca 0.20 -0.61 -0.01 0.00 -0.00 0.00 0.00 59.70 59.28 1wxl h MET 42 Cb 0.26 0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 31.96 1wxl h MET 42 CO -0.29 1.22 0.22 2.35 -0.00 0.00 0.00 176.91 180.40 1wxl h TRP 43 N 0.54 0.60 -0.94 -0.10 2.91 0.43 -3.05 115.95 116.34 1wxl h TRP 43 Ca -0.04 -0.02 0.19 0.00 1.13 0.00 0.00 58.89 60.15 1wxl h TRP 43 Cb 1.36 -0.19 -0.18 0.00 -0.51 0.00 0.00 29.16 29.64 1wxl h TRP 43 CO 0.08 0.47 -0.23 -0.22 -1.03 0.00 0.00 178.44 177.51 1wxl h LYS 44 N 0.54 0.00 -2.03 2.65 1.63 -0.66 0.22 116.57 118.92 1wxl h LYS 44 Ca 0.15 -0.00 -0.74 0.00 -0.85 0.00 0.00 60.65 59.20 1wxl h LYS 44 Cb 0.09 -0.00 -0.30 0.00 -0.60 0.00 0.00 32.23 31.42 1wxl h LYS 44 CO -0.02 0.00 0.67 -0.85 -3.45 0.00 0.00 179.45 175.80 1wxl n GLU 45 N -5.59 3.69 -3.85 1.90 -0.00 -1.16 -4.99 120.64 110.64 1wxl n GLU 45 Ca 0.15 -4.11 -0.36 0.00 -0.00 0.00 0.00 57.16 52.84 1wxl n GLU 45 Cb 0.47 -2.32 -0.07 0.00 -0.00 0.00 0.00 31.44 29.51 1wxl n GLU 45 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1wxl s LEU 46 N -4.03 4.22 0.00 -1.84 2.96 0.76 -4.97 118.68 115.77 1wxl s LEU 46 Ca 0.47 0.31 0.26 0.00 -0.22 0.00 0.00 54.13 54.95 1wxl s LEU 46 Cb 0.35 -2.06 0.72 0.00 0.50 0.00 0.00 46.19 45.70 1wxl s LEU 46 CO -0.28 0.28 1.55 0.29 -1.32 0.00 0.00 176.35 176.87 1wxl n LYS 47 N 2.83 0.49 0.01 1.98 4.76 -1.26 -3.14 118.16 123.82 1wxl n LYS 47 Ca -0.18 -0.27 0.11 0.00 -2.87 0.00 0.00 58.31 55.10 1wxl n LYS 47 Cb 0.53 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.18 1wxl n LYS 47 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1wxl n ASP 48 N -1.02 0.71 0.19 4.39 9.92 -1.26 -3.99 116.55 125.48 1wxl n ASP 48 Ca 0.10 -0.58 0.07 0.00 -0.53 0.00 0.00 54.79 53.84 1wxl n ASP 48 Cb 0.34 0.98 0.24 0.00 -0.64 0.00 0.00 41.12 42.04 1wxl n ASP 48 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1wxl h LYS 49 N 0.00 0.00 -0.20 -1.24 3.11 -1.87 1.08 116.57 117.44 1wxl h LYS 49 Ca 0.00 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.68 1wxl h LYS 49 Cb 0.62 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.84 1wxl h LYS 49 CO 0.00 0.32 -0.55 0.77 -2.81 0.00 0.00 179.45 177.19 1wxl h SER 50 N 0.00 0.67 0.63 4.20 0.02 -1.70 1.67 113.55 119.05 1wxl h SER 50 Ca -0.00 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1wxl h SER 50 Cb 1.05 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1wxl h SER 50 CO 0.04 1.09 -0.70 1.17 -1.14 0.00 0.00 176.83 177.29 1wxl n LYS 51 N -3.97 0.20 -0.07 3.45 4.81 -1.05 -4.21 118.16 117.33 1wxl n LYS 51 Ca -0.03 0.04 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1wxl n LYS 51 Cb 0.61 -1.60 -0.09 0.00 0.02 0.00 0.00 35.03 33.96 1wxl n LYS 51 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1wxl n TRP 52 N -1.88 0.00 0.11 5.64 7.02 0.37 -4.41 117.44 124.29 1wxl n TRP 52 Ca 0.04 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.71 1wxl n TRP 52 Cb 0.41 -0.63 0.76 0.00 -2.42 0.00 0.00 31.31 29.43 1wxl n TRP 52 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 1wxl h GLU 53 N 0.00 0.00 0.00 -0.99 4.11 0.23 0.67 114.58 118.60 1wxl h GLU 53 Ca -0.35 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.95 1wxl h GLU 53 Cb 1.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.94 1wxl h GLU 53 CO -0.01 0.00 -0.62 0.38 0.07 0.00 0.00 179.01 178.83 1wxl h ASP 54 N 0.00 0.00 -0.71 3.06 3.04 -1.74 -2.91 116.42 117.16 1wxl h ASP 54 Ca 0.17 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 53.97 1wxl h ASP 54 Cb 0.85 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.11 1wxl h ASP 54 CO -0.00 0.62 0.46 0.00 -2.04 0.00 0.00 179.24 178.28 1wxl h ALA 55 N 1.38 0.90 -0.07 4.15 0.00 0.14 0.44 119.26 126.20 1wxl h ALA 55 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1wxl h ALA 55 Cb 1.33 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1wxl h ALA 55 CO 0.08 0.30 0.02 0.00 0.00 0.00 0.00 179.25 179.65 1wxl h ALA 56 N 1.27 0.10 -0.01 0.00 0.00 -1.41 0.64 119.26 119.83 1wxl h ALA 56 Ca 0.26 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1wxl h ALA 56 Cb -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1wxl h ALA 56 CO -0.06 -0.29 -0.83 0.00 0.00 0.00 0.00 179.25 178.07 1wxl h ALA 57 N 0.82 0.58 -0.02 0.00 0.00 -1.37 -0.81 119.26 118.45 1wxl h ALA 57 Ca 0.02 -0.69 -0.23 0.00 0.00 0.00 0.00 54.91 54.01 1wxl h ALA 57 Cb 0.23 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1wxl h ALA 57 CO -0.00 0.88 -0.94 1.57 0.00 0.00 0.00 179.25 180.76 1wxl h LYS 58 N 0.12 0.52 0.01 0.00 2.10 -0.09 -2.81 116.57 116.43 1wxl h LYS 58 Ca -0.04 -0.54 -0.20 0.00 -2.00 0.00 0.00 60.65 57.88 1wxl h LYS 58 Cb 1.43 0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 32.89 1wxl h LYS 58 CO 0.13 1.17 -0.93 0.22 -2.00 0.00 0.00 179.45 178.03 1wxl h ASP 59 N 0.30 0.11 0.40 7.07 1.82 0.29 0.22 116.42 126.63 1wxl h ASP 59 Ca -0.09 -0.10 -0.08 0.00 -0.39 0.00 0.00 57.03 56.37 1wxl h ASP 59 Cb 1.58 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.54 1wxl h ASP 59 CO 0.17 0.98 -0.38 0.07 -1.61 0.00 0.00 179.24 178.47 1wxl h LYS 60 N 0.04 0.00 0.09 0.28 5.09 -1.17 0.39 116.57 121.29 1wxl h LYS 60 Ca -0.03 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.38 1wxl h LYS 60 Cb 1.61 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.92 1wxl h LYS 60 CO 0.13 0.38 -1.79 0.37 -2.09 0.00 0.00 179.45 176.45 1wxl h GLN 61 N 0.00 0.19 0.00 0.07 5.75 -1.39 -2.77 115.11 116.96 1wxl h GLN 61 Ca -0.00 -0.33 -0.10 0.00 -0.15 0.00 0.00 58.65 58.07 1wxl h GLN 61 Cb 0.69 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 1wxl h GLN 61 CO 0.05 0.99 -0.70 -0.09 -2.65 0.00 0.00 178.83 176.43 1wxl h ARG 62 N 0.05 0.00 0.08 1.69 2.43 -0.45 -2.36 114.38 115.82 1wxl h ARG 62 Ca -0.34 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.60 1wxl h ARG 62 Cb 2.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.57 1wxl h ARG 62 CO 0.11 0.36 -1.22 1.88 -1.51 0.00 0.00 179.97 179.59 1wxl h TYR 63 N 0.00 0.32 0.00 2.20 -1.99 -0.37 -3.24 116.97 113.89 1wxl h TYR 63 Ca -0.04 -0.23 -0.04 0.00 2.00 0.00 0.00 58.73 60.42 1wxl h TYR 63 Cb 1.36 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 40.07 1wxl h TYR 63 CO 0.00 1.48 -0.21 1.12 -0.00 0.00 0.00 178.16 180.55 1wxl h HIS 64 N -0.50 0.00 0.00 4.88 2.07 -1.62 4.54 115.15 124.52 1wxl h HIS 64 Ca -0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 1wxl h HIS 64 Cb 1.59 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.57 1wxl h HIS 64 CO 0.14 0.21 0.00 -3.47 -3.07 0.00 0.00 177.93 171.74 1wxl n ASP 65 N -3.58 0.00 0.00 3.10 2.03 -0.89 -1.19 116.55 116.03 1wxl n ASP 65 Ca -0.01 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.69 1wxl n ASP 65 Cb 0.35 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1wxl n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wxl n GLU 66 N -1.45 0.00 -0.04 -0.67 -0.58 -0.49 -4.35 120.64 113.06 1wxl n GLU 66 Ca 0.06 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.67 1wxl n GLU 66 Cb 0.23 -0.41 -0.08 0.00 -0.57 0.00 0.00 31.44 30.60 1wxl n GLU 66 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1wxl h MET 67 N 0.00 0.25 -0.31 3.49 2.86 0.88 0.83 114.93 122.93 1wxl h MET 67 Ca 0.00 -0.14 -0.15 0.00 -2.06 0.00 0.00 59.70 57.36 1wxl h MET 67 Cb 0.55 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1wxl h MET 67 CO 0.00 0.68 -0.39 0.07 1.06 0.00 0.00 176.91 178.33 1wxl h ARG 68 N -0.18 0.81 0.00 1.72 0.11 -1.03 0.40 114.38 116.21 1wxl h ARG 68 Ca 0.01 -0.46 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1wxl h ARG 68 Cb 0.64 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.75 1wxl h ARG 68 CO 0.03 1.09 0.00 0.09 0.10 0.00 0.00 179.97 181.28 1wxl n ASN 69 N -4.14 0.00 0.40 0.08 5.03 -0.36 -3.73 115.26 112.54 1wxl n ASN 69 Ca -0.04 0.83 -0.18 0.00 0.87 0.00 0.00 54.58 56.06 1wxl n ASN 69 Cb 0.54 -0.33 -0.09 0.00 -1.02 0.00 0.00 39.78 38.87 1wxl n ASN 69 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1wxl h TYR 70 N 0.00 -1.23 -3.28 3.10 -1.99 0.61 -3.41 116.97 110.76 1wxl h TYR 70 Ca 0.00 -0.01 -0.58 0.00 2.00 0.00 0.00 58.73 60.14 1wxl h TYR 70 Cb 0.00 0.44 -0.08 0.00 2.00 0.00 0.00 36.73 39.09 1wxl h TYR 70 CO -0.00 -0.69 -0.17 0.21 -0.00 0.00 0.00 178.16 177.51 1wxl s LYS 71 N -5.71 4.28 0.39 4.88 2.47 0.14 -5.05 119.74 121.14 1wxl s LYS 71 Ca -0.18 0.39 -0.07 0.00 -1.56 0.00 0.00 55.97 54.56 1wxl s LYS 71 Cb 0.03 -3.41 0.09 0.00 -1.46 0.00 0.00 37.83 33.08 1wxl s LYS 71 CO 0.55 0.24 0.42 -0.35 0.16 0.00 0.00 175.35 176.37 1wxl n PRO 72 N 3.40 -1.16 0.00 4.03 -0.04 -1.25 -3.51 135.00 136.47 1wxl n PRO 72 Ca -0.09 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 1wxl n PRO 72 Cb 0.52 -0.52 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 1wxl n PRO 72 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1wxl n GLU 73 N -2.35 0.00 -0.53 0.54 0.00 -1.26 -4.91 120.64 112.13 1wxl n GLU 73 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1wxl n GLU 73 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.64 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13