#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 -1.49 0.66 -0.00 -1.26 -5.13 115.22 108.00 1wxl n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1wxl n HIS 3 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 1wxl n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1wxl n MET 4 N -2.67 -4.06 -1.28 -0.41 2.81 -1.26 -4.48 117.12 105.77 1wxl n MET 4 Ca -0.01 3.10 -0.31 0.00 -1.81 0.00 0.00 57.70 58.67 1wxl n MET 4 Cb 0.04 -3.73 -0.07 0.00 -0.71 0.00 0.00 33.22 28.75 1wxl n MET 4 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1wxl n PRO 5 N -1.94 3.24 -0.36 0.03 -0.04 -1.26 -4.75 135.00 129.93 1wxl n PRO 5 Ca 0.00 -1.96 -0.02 0.00 -0.04 0.00 0.00 63.50 61.48 1wxl n PRO 5 Cb 0.29 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 1wxl n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wxl n LYS 6 N 3.04 0.71 -0.12 0.54 5.02 -1.26 -4.63 118.16 121.47 1wxl n LYS 6 Ca 0.66 -0.17 0.01 0.00 -2.02 0.00 0.00 58.31 56.80 1wxl n LYS 6 Cb 0.44 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 34.04 1wxl n LYS 6 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wxl n ARG 7 N 2.05 -0.27 -0.02 1.97 5.12 -1.26 -5.04 116.66 119.22 1wxl n ARG 7 Ca 0.07 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 1wxl n ARG 7 Cb 0.34 -0.31 0.00 0.00 -1.16 0.00 0.00 32.46 31.33 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 -2.25 0.00 -2.61 7.54 0.00 -1.26 -5.00 120.51 116.93 1wxl n ALA 8 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1wxl n ALA 8 Cb 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.36 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 1.53 2.75 0.70 0.00 -4.23 -1.26 -4.90 115.64 110.22 1wxl s THR 9 Ca 0.00 -0.82 -0.14 0.00 -1.18 0.00 0.00 61.69 59.55 1wxl s THR 9 Cb 0.00 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.80 1wxl s THR 9 CO 0.00 0.57 1.12 0.42 -0.54 0.00 0.00 174.62 176.20 1wxl s THR 10 N -0.41 3.07 0.35 3.99 -4.23 -1.26 -3.74 115.64 113.41 1wxl s THR 10 Ca 0.04 0.46 0.17 0.00 -1.18 0.00 0.00 61.69 61.18 1wxl s THR 10 Cb -0.12 -2.96 0.34 0.00 1.34 0.00 0.00 72.50 71.11 1wxl s THR 10 CO 0.02 -0.34 1.65 0.00 -0.54 0.00 0.00 174.62 175.40 1wxl h ALA 11 N -0.35 2.06 0.03 3.99 0.00 -1.87 0.69 119.26 123.80 1wxl h ALA 11 Ca -0.46 0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 1wxl h ALA 11 Cb 1.25 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1wxl h ALA 11 CO 0.52 -0.69 -1.01 0.35 0.00 0.00 0.00 179.25 178.42 1wxl h PHE 12 N 0.26 0.15 -0.01 0.00 3.04 -1.93 -3.11 116.94 115.35 1wxl h PHE 12 Ca 0.76 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 62.60 1wxl h PHE 12 Cb 1.83 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 40.33 1wxl h PHE 12 CO -0.01 1.03 -0.37 -1.33 -2.02 0.00 0.00 178.31 175.61 1wxl n MET 13 N -3.47 0.81 -0.09 1.11 2.81 0.19 -2.17 117.12 116.32 1wxl n MET 13 Ca -0.02 -0.55 -0.09 0.00 -1.81 0.00 0.00 57.70 55.22 1wxl n MET 13 Cb 0.91 -1.49 -0.16 0.00 -0.71 0.00 0.00 33.22 31.78 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 -0.61 0.14 0.07 4.03 -0.00 0.15 -3.72 117.00 117.06 1wxl n LEU 14 Ca 0.10 0.07 -0.21 0.00 -0.00 0.00 0.00 56.01 55.97 1wxl n LEU 14 Cb 0.38 0.44 -0.15 0.00 -0.00 0.00 0.00 43.42 44.09 1wxl n LEU 14 CO 0.28 0.47 -0.45 -0.25 -0.00 0.00 0.00 177.39 177.44 1wxl h TRP 15 N 0.00 0.64 0.00 1.47 7.01 -1.67 -3.12 115.95 120.27 1wxl h TRP 15 Ca -0.50 -0.47 0.00 0.00 2.11 0.00 0.00 58.89 60.04 1wxl h TRP 15 Cb 2.18 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 29.22 1wxl h TRP 15 CO 0.00 1.57 0.00 1.25 -2.79 0.00 0.00 178.44 178.47 1wxl h LEU 16 N 0.10 0.00 0.08 0.65 5.85 -1.63 1.00 115.31 121.35 1wxl h LEU 16 Ca -0.31 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1wxl h LEU 16 Cb 2.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.11 1wxl h LEU 16 CO 0.18 0.00 -0.04 -1.13 -0.34 0.00 0.00 178.44 177.11 1wxl h ASN 17 N 0.00 -0.09 1.08 1.25 -0.73 -1.62 6.69 115.58 122.15 1wxl h ASN 17 Ca 0.00 -0.52 -0.06 0.00 1.87 0.00 0.00 56.30 57.59 1wxl h ASN 17 Cb 0.21 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 1wxl h ASN 17 CO 0.00 0.55 -0.28 0.44 -0.37 0.00 0.00 177.43 177.77 1wxl h ASP 18 N -0.81 0.00 0.00 1.15 3.32 -1.33 -3.08 116.42 115.67 1wxl h ASP 18 Ca -0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1wxl h ASP 18 Cb 0.60 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1wxl h ASP 18 CO 0.02 0.28 -1.94 0.41 -1.72 0.00 0.00 179.24 176.29 1wxl n THR 19 N -3.36 0.32 -0.23 0.35 -1.04 0.34 -4.15 114.28 106.52 1wxl n THR 19 Ca 0.01 -0.51 0.14 0.00 -2.04 0.00 0.00 64.05 61.65 1wxl n THR 19 Cb 0.50 -0.09 0.43 0.00 -1.82 0.00 0.00 70.33 69.34 1wxl n THR 19 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1wxl h ARG 20 N 0.00 0.56 -0.60 -2.82 2.43 1.41 1.90 114.38 117.25 1wxl h ARG 20 Ca -0.13 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 1wxl h ARG 20 Cb 1.18 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1wxl h ARG 20 CO 0.01 0.37 0.01 1.05 -1.51 0.00 0.00 179.97 179.90 1wxl h GLU 21 N 0.58 1.05 0.00 0.20 4.11 -1.71 -2.52 114.58 116.29 1wxl h GLU 21 Ca 0.42 -0.32 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 1wxl h GLU 21 Cb 0.79 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1wxl h GLU 21 CO -0.17 1.01 -0.06 0.77 0.07 0.00 0.00 179.01 180.63 1wxl h SER 22 N 0.96 0.00 0.18 3.06 0.02 0.24 -2.79 113.55 115.22 1wxl h SER 22 Ca 0.17 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.88 1wxl h SER 22 Cb 0.53 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.10 1wxl h SER 22 CO 0.03 0.06 -1.05 0.40 -1.14 0.00 0.00 176.83 175.12 1wxl h ILE 23 N 0.00 1.43 0.00 3.27 2.04 0.92 -0.75 117.51 124.42 1wxl h ILE 23 Ca -0.00 -2.59 -0.09 0.00 1.00 0.00 0.00 64.86 63.18 1wxl h ILE 23 Cb 0.66 3.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.86 1wxl h ILE 23 CO 0.01 0.75 -0.44 0.50 0.00 0.00 0.00 178.15 178.96 1wxl h LYS 24 N -0.17 0.00 -0.02 2.37 1.63 -1.48 0.82 116.57 119.72 1wxl h LYS 24 Ca -0.18 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.59 1wxl h LYS 24 Cb 1.83 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.46 1wxl h LYS 24 CO 0.20 0.44 -0.10 0.00 -3.45 0.00 0.00 179.45 176.54 1wxl h ARG 25 N 0.00 0.10 0.00 1.90 3.08 -1.55 0.26 114.38 118.17 1wxl h ARG 25 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1wxl h ARG 25 Cb 0.96 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1wxl h ARG 25 CO 0.06 0.77 0.00 0.39 -1.07 0.00 0.00 179.97 180.12 1wxl n GLU 26 N -4.65 0.18 -3.25 0.04 -0.58 -0.29 -3.62 120.64 108.49 1wxl n GLU 26 Ca -0.09 0.44 -0.23 0.00 -0.42 0.00 0.00 57.16 56.86 1wxl n GLU 26 Cb 0.40 -1.87 -0.07 0.00 -0.57 0.00 0.00 31.44 29.33 1wxl n GLU 26 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wxl n ASN 27 N -2.22 -0.68 -1.31 1.62 5.03 0.28 -5.01 115.26 112.98 1wxl n ASN 27 Ca 0.02 -2.56 0.00 0.00 0.87 0.00 0.00 54.58 52.91 1wxl n ASN 27 Cb 0.21 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 38.71 1wxl n ASN 27 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1wxl n PRO 28 N 2.38 0.75 -0.64 3.52 -0.04 0.90 -2.96 135.00 138.90 1wxl n PRO 28 Ca 0.25 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.70 1wxl n PRO 28 Cb 0.51 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 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 1.11 0.85 0.00 0.55 0.00 -1.26 -5.08 105.19 101.37 1wxl n GLY 29 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.01 0.00 -3.67 -0.61 -5.35 -1.16 -5.15 119.36 103.44 1wxl n ILE 30 Ca -0.07 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.28 1wxl n ILE 30 Cb 0.57 -0.25 -0.07 0.00 -1.74 0.00 0.00 39.64 38.15 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 3.59 0.87 0.25 6.28 -2.85 -1.26 -5.00 119.74 121.62 1wxl s LYS 31 Ca 0.00 -0.22 0.17 0.00 -1.00 0.00 0.00 55.97 54.93 1wxl s LYS 31 Cb 0.00 0.39 0.87 0.00 -2.06 0.00 0.00 37.83 37.03 1wxl s LYS 31 CO 0.00 -0.28 0.95 1.55 0.10 0.00 0.00 175.35 177.66 1wxl n VAL 32 N 0.78 -0.19 0.20 1.79 3.14 -1.26 0.26 118.33 123.06 1wxl n VAL 32 Ca -0.19 1.13 0.10 0.00 -2.96 0.00 0.00 64.34 62.42 1wxl n VAL 32 Cb 0.58 -1.85 0.13 0.00 -1.06 0.00 0.00 33.84 31.64 1wxl n VAL 32 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1wxl h THR 33 N 0.00 0.14 0.00 1.55 1.35 -2.00 -3.15 112.91 110.81 1wxl h THR 33 Ca 0.52 -1.20 -0.05 0.00 -0.55 0.00 0.00 66.41 65.13 1wxl h THR 33 Cb 1.59 2.03 -0.01 0.00 -1.73 0.00 0.00 68.15 70.04 1wxl h THR 33 CO -0.34 0.08 -0.86 -0.08 -0.25 0.00 0.00 175.52 174.07 1wxl h GLU 34 N 0.00 0.00 -0.31 4.72 4.81 0.31 -2.64 114.58 121.48 1wxl h GLU 34 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1wxl h GLU 34 Cb 1.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1wxl h GLU 34 CO 0.01 0.12 -0.20 0.82 -0.73 0.00 0.00 179.01 179.04 1wxl h ILE 35 N 0.00 1.30 0.00 2.32 2.04 -1.34 0.21 117.51 122.04 1wxl h ILE 35 Ca -0.04 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.47 1wxl h ILE 35 Cb 1.18 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1wxl h ILE 35 CO 0.02 0.43 -0.33 0.00 0.00 0.00 0.00 178.15 178.26 1wxl h ALA 36 N 0.75 0.84 0.00 1.87 0.00 -1.63 -2.33 119.26 118.75 1wxl h ALA 36 Ca 0.06 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1wxl h ALA 36 Cb 0.74 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1wxl h ALA 36 CO 0.05 0.15 -0.51 0.87 0.00 0.00 0.00 179.25 179.82 1wxl h LYS 37 N 0.00 0.00 0.32 0.00 1.79 -1.36 -3.27 116.57 114.06 1wxl h LYS 37 Ca -0.01 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1wxl h LYS 37 Cb 1.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1wxl h LYS 37 CO 0.01 0.75 -0.16 -0.22 -1.08 0.00 0.00 179.45 178.76 1wxl h LYS 38 N -1.00 -0.42 -0.99 3.15 3.11 -0.72 -2.87 116.57 116.83 1wxl h LYS 38 Ca -0.12 0.03 0.26 0.00 -2.81 0.00 0.00 60.65 58.00 1wxl h LYS 38 Cb 0.92 0.10 -0.19 0.00 -1.00 0.00 0.00 32.23 32.06 1wxl h LYS 38 CO -0.08 -0.16 -0.03 0.41 -2.81 0.00 0.00 179.45 176.79 1wxl n GLY 39 N -0.71 -1.41 0.26 5.01 0.00 -0.88 0.16 105.19 107.63 1wxl n GLY 39 Ca -0.10 0.99 0.02 0.00 0.00 0.00 0.00 46.02 46.93 1wxl n GLY 39 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wxl h GLY 40 N 0.00 0.98 0.33 -0.02 0.00 -1.56 1.17 103.07 103.97 1wxl h GLY 40 Ca 0.58 -0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.86 1wxl h GLY 40 CO -0.95 -0.06 -0.01 1.05 0.00 0.00 0.00 176.54 176.58 1wxl h GLU 41 N 0.42 0.10 -0.04 4.80 4.11 0.17 0.18 114.58 124.31 1wxl h GLU 41 Ca 0.36 -0.01 -0.25 0.00 0.07 0.00 0.00 59.36 59.53 1wxl h GLU 41 Cb 0.49 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.74 1wxl h GLU 41 CO -0.36 0.06 -0.96 0.00 0.07 0.00 0.00 179.01 177.83 1wxl h MET 42 N 0.10 0.70 0.01 1.06 -0.00 -0.91 -3.31 114.93 112.58 1wxl h MET 42 Ca 0.20 -0.70 0.01 0.00 -0.00 0.00 0.00 59.70 59.22 1wxl h MET 42 Cb 0.29 0.18 -0.01 0.00 -0.00 0.00 0.00 31.60 32.06 1wxl h MET 42 CO -0.34 1.28 -0.07 2.35 -0.00 0.00 0.00 176.91 180.13 1wxl h TRP 43 N 0.42 -0.17 -0.29 -0.10 2.91 0.18 -1.55 115.95 117.35 1wxl h TRP 43 Ca -0.10 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.01 1wxl h TRP 43 Cb 1.60 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 30.32 1wxl h TRP 43 CO 0.09 -0.11 0.48 0.87 -1.03 0.00 0.00 178.44 178.75 1wxl h LYS 44 N -0.12 0.00 -1.37 2.65 6.56 -0.75 -1.53 116.57 122.00 1wxl h LYS 44 Ca 0.03 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.08 1wxl h LYS 44 Cb 0.15 0.00 -0.42 0.00 -0.57 0.00 0.00 32.23 31.40 1wxl h LYS 44 CO -0.07 0.00 -0.83 -0.85 -2.06 0.00 0.00 179.45 175.65 1wxl n GLU 45 N -3.34 2.98 -4.21 3.15 0.28 -0.61 -5.05 120.64 113.84 1wxl n GLU 45 Ca 0.05 -4.24 -0.16 0.00 -0.16 0.00 0.00 57.16 52.64 1wxl n GLU 45 Cb 0.62 -2.05 -0.14 0.00 1.43 0.00 0.00 31.44 31.30 1wxl n GLU 45 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 1wxl s LEU 46 N -3.46 2.09 -0.10 -1.84 2.34 -0.58 -4.98 118.68 112.15 1wxl s LEU 46 Ca 0.44 -0.26 0.09 0.00 0.06 0.00 0.00 54.13 54.46 1wxl s LEU 46 Cb 0.41 -0.33 0.44 0.00 -0.56 0.00 0.00 46.19 46.15 1wxl s LEU 46 CO -0.13 0.01 1.23 2.29 -1.06 0.00 0.00 176.35 178.68 1wxl n LYS 47 N 2.45 2.90 -0.00 1.48 2.85 -1.26 -3.33 118.16 123.25 1wxl n LYS 47 Ca -0.16 -1.71 0.09 0.00 -1.05 0.00 0.00 58.31 55.48 1wxl n LYS 47 Cb 0.57 -1.79 -0.11 0.00 -0.65 0.00 0.00 35.03 33.05 1wxl n LYS 47 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1wxl n ASP 48 N 0.44 0.84 0.14 -5.58 8.00 -1.26 -4.22 116.55 114.92 1wxl n ASP 48 Ca 0.15 -0.57 0.02 0.00 0.71 0.00 0.00 54.79 55.10 1wxl n ASP 48 Cb 0.68 1.31 0.14 0.00 -0.02 0.00 0.00 41.12 43.23 1wxl n ASP 48 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1wxl h LYS 49 N 0.00 0.00 0.00 -1.24 3.11 -1.87 0.17 116.57 116.75 1wxl h LYS 49 Ca 0.00 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 1wxl h LYS 49 Cb 0.57 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.79 1wxl h LYS 49 CO 0.00 0.55 -0.44 1.03 -2.81 0.00 0.00 179.45 177.78 1wxl h SER 50 N 0.00 0.00 0.38 4.20 0.87 -1.78 1.28 113.55 118.51 1wxl h SER 50 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1wxl h SER 50 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1wxl h SER 50 CO 0.07 0.44 -1.04 1.17 -0.53 0.00 0.00 176.83 176.94 1wxl n LYS 51 N -3.64 0.26 -0.06 2.24 0.00 -1.01 -4.26 118.16 111.70 1wxl n LYS 51 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 58.31 58.21 1wxl n LYS 51 Cb 0.53 -1.58 -0.05 0.00 0.00 0.00 0.00 35.03 33.93 1wxl n LYS 51 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1wxl n TRP 52 N -1.91 0.00 -0.34 5.64 8.01 0.57 -4.48 117.44 124.93 1wxl n TRP 52 Ca 0.02 0.00 0.16 0.00 -1.31 0.00 0.00 57.50 56.37 1wxl n TRP 52 Cb 0.43 -0.44 0.38 0.00 -2.01 0.00 0.00 31.31 29.67 1wxl n TRP 52 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.69 177.73 1wxl h GLU 53 N -0.04 0.63 -0.14 -0.99 4.11 0.14 0.72 114.58 119.01 1wxl h GLU 53 Ca -0.26 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.08 1wxl h GLU 53 Cb 1.38 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1wxl h GLU 53 CO -0.05 0.42 -0.17 0.22 0.07 0.00 0.00 179.01 179.49 1wxl h ASP 54 N 0.65 0.22 -0.66 3.06 1.82 -1.74 -1.74 116.42 118.02 1wxl h ASP 54 Ca 0.58 -0.05 0.08 0.00 -0.39 0.00 0.00 57.03 57.25 1wxl h ASP 54 Cb 1.06 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.95 1wxl h ASP 54 CO -0.36 0.41 0.33 0.00 -1.61 0.00 0.00 179.24 178.01 1wxl h ALA 55 N 1.62 0.89 0.11 -0.78 0.00 0.23 0.31 119.26 121.63 1wxl h ALA 55 Ca 0.04 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wxl h ALA 55 Cb 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1wxl h ALA 55 CO 0.03 -0.04 -0.17 0.00 0.00 0.00 0.00 179.25 179.07 1wxl h ALA 56 N 1.39 -0.28 0.00 0.00 0.00 -1.13 1.25 119.26 120.49 1wxl h ALA 56 Ca 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1wxl h ALA 56 Cb 0.29 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wxl h ALA 56 CO -0.23 -0.69 -0.14 0.00 0.00 0.00 0.00 179.25 178.18 1wxl h ALA 57 N 0.51 1.16 0.12 0.00 0.00 -1.27 0.13 119.26 119.91 1wxl h ALA 57 Ca 0.02 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.50 1wxl h ALA 57 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wxl h ALA 57 CO -0.09 0.18 -1.53 1.57 0.00 0.00 0.00 179.25 179.38 1wxl h LYS 58 N 0.00 0.25 0.10 0.00 2.10 0.56 -3.18 116.57 116.40 1wxl h LYS 58 Ca -0.00 -0.44 -0.31 0.00 -2.00 0.00 0.00 60.65 57.90 1wxl h LYS 58 Cb 0.47 0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.95 1wxl h LYS 58 CO 0.02 1.12 -1.65 0.22 -2.00 0.00 0.00 179.45 177.16 1wxl h ASP 59 N 0.07 0.32 -0.25 7.07 3.58 0.18 -2.09 116.42 125.30 1wxl h ASP 59 Ca -0.24 -0.52 -0.05 0.00 0.42 0.00 0.00 57.03 56.63 1wxl h ASP 59 Cb 2.02 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.95 1wxl h ASP 59 CO 0.16 1.45 -0.05 0.07 -2.88 0.00 0.00 179.24 178.00 1wxl h LYS 60 N 0.06 0.47 -0.01 0.28 -0.00 -0.93 0.28 116.57 116.73 1wxl h LYS 60 Ca -0.28 -0.17 -0.14 0.00 -0.00 0.00 0.00 60.65 60.06 1wxl h LYS 60 Cb 2.02 -0.03 -0.02 0.00 -0.00 0.00 0.00 32.23 34.20 1wxl h LYS 60 CO 0.13 0.69 -0.64 0.37 -0.00 0.00 0.00 179.45 180.00 1wxl h GLN 61 N 0.22 0.03 0.00 0.07 4.15 -1.70 -1.14 115.11 116.74 1wxl h GLN 61 Ca 0.06 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1wxl h GLN 61 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1wxl h GLN 61 CO 0.02 0.65 -0.23 -0.09 -1.93 0.00 0.00 178.83 177.25 1wxl h ARG 62 N 0.02 0.00 0.09 1.69 2.43 -1.18 -1.46 114.38 115.97 1wxl h ARG 62 Ca -0.01 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.88 1wxl h ARG 62 Cb 1.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1wxl h ARG 62 CO 0.08 0.00 -1.48 1.88 -1.51 0.00 0.00 179.97 178.95 1wxl h TYR 63 N 0.00 0.33 0.00 2.20 -1.99 -0.18 -3.30 116.97 114.03 1wxl h TYR 63 Ca 0.00 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1wxl h TYR 63 Cb 0.82 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.53 1wxl h TYR 63 CO 0.00 1.58 0.00 1.12 -0.00 0.00 0.00 178.16 180.86 1wxl h HIS 64 N -0.40 0.00 0.00 4.88 2.07 -1.31 5.17 115.15 125.56 1wxl h HIS 64 Ca -0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 1wxl h HIS 64 Cb 1.70 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.68 1wxl h HIS 64 CO 0.11 0.00 0.00 -0.25 -3.07 0.00 0.00 177.93 174.72 1wxl n ASP 65 N -2.62 0.00 0.00 3.10 9.92 -0.55 -4.13 116.55 122.27 1wxl n ASP 65 Ca 0.03 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 1wxl n ASP 65 Cb 0.36 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 1wxl n ASP 65 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1wxl n GLU 66 N -1.46 0.00 -0.39 -1.24 0.28 -1.05 -4.92 120.64 111.86 1wxl n GLU 66 Ca 0.06 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.14 1wxl n GLU 66 Cb 0.25 0.00 0.25 0.00 1.43 0.00 0.00 31.44 33.37 1wxl n GLU 66 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1wxl n MET 67 N -0.37 3.15 -0.37 3.44 2.81 0.54 -4.44 117.12 121.89 1wxl n MET 67 Ca 0.00 -2.55 -0.02 0.00 -1.81 0.00 0.00 57.70 53.32 1wxl n MET 67 Cb 0.00 -1.63 0.02 0.00 -0.71 0.00 0.00 33.22 30.90 1wxl n MET 67 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1wxl n ARG 68 N 0.46 -0.25 -0.19 0.03 0.00 1.57 -2.16 116.66 116.11 1wxl n ARG 68 Ca 0.19 1.44 0.05 0.00 -0.00 0.00 0.00 57.85 59.53 1wxl n ARG 68 Cb 0.70 -2.14 0.07 0.00 -0.00 0.00 0.00 32.46 31.10 1wxl n ARG 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1wxl n ASN 69 N -5.35 1.40 -3.78 2.89 0.23 -1.26 -4.65 115.26 104.74 1wxl n ASN 69 Ca 0.08 -2.46 -0.42 0.00 -0.53 0.00 0.00 54.58 51.25 1wxl n ASN 69 Cb 0.36 -0.27 -0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1wxl n ASN 69 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wxl n TYR 70 N -0.77 3.49 -2.94 -2.53 9.36 -0.92 -4.73 117.16 118.12 1wxl n TYR 70 Ca 0.08 -2.87 -0.29 0.00 3.32 0.00 0.00 57.90 58.13 1wxl n TYR 70 Cb 0.60 -2.50 -0.03 0.00 -0.63 0.00 0.00 39.34 36.78 1wxl n TYR 70 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1wxl n LYS 71 N 6.33 3.51 -0.11 2.98 4.81 -1.26 -4.15 118.16 130.28 1wxl n LYS 71 Ca 0.52 -4.82 -0.12 0.00 -0.87 0.00 0.00 58.31 53.01 1wxl n LYS 71 Cb 0.40 -2.28 -0.03 0.00 0.02 0.00 0.00 35.03 33.14 1wxl n LYS 71 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1wxl h PRO 72 N 3.29 0.71 -3.49 1.64 0.13 -2.01 -3.50 132.00 128.77 1wxl h PRO 72 Ca 0.19 -0.32 0.16 0.00 -0.87 0.00 0.00 66.00 65.15 1wxl h PRO 72 Cb 0.49 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.52 1wxl h PRO 72 CO 0.88 0.93 -1.07 -1.91 -0.23 0.00 0.00 178.00 176.60 1wxl n GLU 73 N -4.32 -3.61 -0.52 0.86 2.13 -1.26 -5.21 120.64 108.71 1wxl n GLU 73 Ca -0.03 2.87 0.00 0.00 0.66 0.00 0.00 57.16 60.66 1wxl n GLU 73 Cb 0.41 -3.80 0.00 0.00 0.27 0.00 0.00 31.44 28.32 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72