#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxl s HIS 3 N 0.00 2.67 0.02 7.33 0.00 -1.26 -4.55 115.29 119.51 1wxl s HIS 3 Ca 0.00 0.23 0.00 0.00 -3.00 0.00 0.00 55.06 52.29 1wxl s HIS 3 Cb 0.00 -4.15 0.00 0.00 -4.00 0.00 0.00 32.58 24.43 1wxl s HIS 3 CO 0.00 -4.50 0.00 -1.33 -1.00 0.00 0.00 174.74 167.91 1wxl n MET 4 N 4.50 0.00 -0.93 -0.38 0.00 -1.26 -5.00 117.12 114.05 1wxl n MET 4 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.76 1wxl n MET 4 Cb 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.43 1wxl n MET 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1wxl n PRO 5 N -3.02 1.87 -0.73 0.03 -0.04 -1.26 -4.66 135.00 127.18 1wxl n PRO 5 Ca 0.00 -0.90 -0.06 0.00 -0.04 0.00 0.00 63.50 62.50 1wxl n PRO 5 Cb 0.00 -1.91 -0.07 0.00 -0.04 0.00 0.00 33.50 31.47 1wxl n PRO 5 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wxl n LYS 6 N 2.44 1.46 0.00 0.54 0.00 -1.26 -4.30 118.16 117.03 1wxl n LYS 6 Ca 0.39 -0.48 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1wxl n LYS 6 Cb 0.86 -1.45 0.00 0.00 -0.00 0.00 0.00 35.03 34.44 1wxl n LYS 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1wxl n ARG 7 N 1.90 0.00 -1.18 -1.58 0.63 -1.26 -5.04 116.66 110.13 1wxl n ARG 7 Ca 0.19 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 57.01 1wxl n ARG 7 Cb 0.68 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.66 1wxl n ARG 7 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wxl n ALA 8 N -1.27 -0.28 -2.66 5.13 0.00 -1.26 -5.01 120.51 115.15 1wxl n ALA 8 Ca 0.00 -0.83 -0.37 0.00 0.00 0.00 0.00 53.44 52.24 1wxl n ALA 8 Cb 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.42 1wxl n ALA 8 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wxl s THR 9 N -1.75 5.31 0.73 0.00 2.01 -1.26 -4.89 115.64 115.78 1wxl s THR 9 Ca 0.32 0.35 -0.15 0.00 0.31 0.00 0.00 61.69 62.51 1wxl s THR 9 Cb -0.01 -3.57 0.04 0.00 0.01 0.00 0.00 72.50 68.96 1wxl s THR 9 CO 0.22 0.31 1.19 0.42 -0.69 0.00 0.00 174.62 176.06 1wxl s THR 10 N 1.16 2.47 0.30 -0.82 -4.23 -1.26 -3.73 115.64 109.52 1wxl s THR 10 Ca 0.11 0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.89 1wxl s THR 10 Cb -0.14 -2.76 0.33 0.00 1.34 0.00 0.00 72.50 71.27 1wxl s THR 10 CO 0.06 -0.13 1.63 0.00 -0.54 0.00 0.00 174.62 175.64 1wxl h ALA 11 N -0.32 1.39 -0.15 3.99 0.00 -1.88 0.82 119.26 123.11 1wxl h ALA 11 Ca -0.47 0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1wxl h ALA 11 Cb 1.29 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1wxl h ALA 11 CO 0.50 -0.53 -0.53 0.35 0.00 0.00 0.00 179.25 179.04 1wxl h PHE 12 N 0.17 0.55 0.24 0.00 3.04 -1.95 -2.60 116.94 116.39 1wxl h PHE 12 Ca 0.60 -0.19 -0.01 0.00 3.98 0.00 0.00 57.97 62.35 1wxl h PHE 12 Cb 1.27 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.68 1wxl h PHE 12 CO -0.26 0.88 -0.12 0.52 -2.02 0.00 0.00 178.31 177.31 1wxl h MET 13 N 0.35 -0.31 -0.72 1.11 2.86 0.06 0.28 114.93 118.55 1wxl h MET 13 Ca 0.01 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.85 1wxl h MET 13 Cb 1.04 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.74 1wxl h MET 13 CO 0.09 -0.16 0.50 1.37 1.06 0.00 0.00 176.91 179.78 1wxl h LEU 14 N -1.07 0.15 0.12 1.22 -0.00 -0.15 1.10 115.31 116.68 1wxl h LEU 14 Ca -0.03 0.01 -0.20 0.00 -0.00 0.00 0.00 57.88 57.66 1wxl h LEU 14 Cb 0.30 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 40.95 1wxl h LEU 14 CO 0.05 0.07 -0.92 -0.25 -0.00 0.00 0.00 178.44 177.39 1wxl h TRP 15 N 0.16 0.45 0.00 0.17 7.01 -1.53 -3.02 115.95 119.18 1wxl h TRP 15 Ca 0.35 -0.33 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1wxl h TRP 15 Cb 1.15 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.19 1wxl h TRP 15 CO -0.00 1.36 0.00 1.25 -2.79 0.00 0.00 178.44 178.26 1wxl h LEU 16 N -0.43 0.00 0.12 0.65 5.85 0.38 0.73 115.31 122.61 1wxl h LEU 16 Ca -0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1wxl h LEU 16 Cb 1.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1wxl h LEU 16 CO 0.10 0.00 -0.06 -1.13 -0.34 0.00 0.00 178.44 177.01 1wxl h ASN 17 N 0.00 -0.14 0.84 1.25 -0.73 0.12 3.26 115.58 120.19 1wxl h ASN 17 Ca 0.00 -0.43 -0.11 0.00 1.87 0.00 0.00 56.30 57.63 1wxl h ASN 17 Cb 0.15 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1wxl h ASN 17 CO 0.00 0.44 -0.52 0.44 -0.37 0.00 0.00 177.43 177.42 1wxl h ASP 18 N -0.81 0.00 0.00 1.15 5.19 -1.25 -3.21 116.42 117.49 1wxl h ASP 18 Ca -0.02 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.18 1wxl h ASP 18 Cb 0.56 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.02 1wxl h ASP 18 CO 0.03 0.52 -2.11 0.41 -3.12 0.00 0.00 179.24 174.97 1wxl n THR 19 N -3.58 0.81 -0.03 0.35 -1.04 0.25 -4.14 114.28 106.89 1wxl n THR 19 Ca -0.00 -0.65 0.10 0.00 -2.04 0.00 0.00 64.05 61.46 1wxl n THR 19 Cb 0.60 -0.33 0.49 0.00 -1.82 0.00 0.00 70.33 69.28 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 0.40 -0.75 -2.82 0.11 0.60 1.82 114.38 113.74 1wxl h ARG 20 Ca -0.32 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 59.74 1wxl h ARG 20 Cb 1.68 -0.09 -0.04 0.00 1.11 0.00 0.00 29.97 32.64 1wxl h ARG 20 CO 0.02 0.26 0.49 1.05 0.10 0.00 0.00 179.97 181.89 1wxl h GLU 21 N 0.41 0.99 0.00 0.08 4.11 -1.68 0.54 114.58 119.03 1wxl h GLU 21 Ca 0.22 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1wxl h GLU 21 Cb 0.35 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1wxl h GLU 21 CO -0.06 0.66 0.00 0.77 0.07 0.00 0.00 179.01 180.45 1wxl h SER 22 N 1.01 0.00 0.15 3.06 0.02 0.23 -2.88 113.55 115.15 1wxl h SER 22 Ca 0.27 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.98 1wxl h SER 22 Cb -0.11 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.45 1wxl h SER 22 CO -0.06 0.00 -1.15 0.40 -1.14 0.00 0.00 176.83 174.89 1wxl h ILE 23 N 0.00 1.30 0.00 3.27 2.04 0.22 -2.05 117.51 122.30 1wxl h ILE 23 Ca 0.00 -2.52 -0.11 0.00 1.00 0.00 0.00 64.86 63.23 1wxl h ILE 23 Cb 0.42 3.01 -0.02 0.00 -0.74 0.00 0.00 36.82 39.50 1wxl h ILE 23 CO 0.00 0.73 -0.53 0.50 0.00 0.00 0.00 178.15 178.86 1wxl h LYS 24 N -0.25 0.00 -0.11 2.37 1.63 -1.29 -0.07 116.57 118.85 1wxl h LYS 24 Ca -0.22 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.41 1wxl h LYS 24 Cb 1.78 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.42 1wxl h LYS 24 CO 0.14 0.53 -0.58 0.00 -3.45 0.00 0.00 179.45 176.09 1wxl h ARG 25 N 0.00 0.59 0.00 1.90 3.08 -1.61 0.21 114.38 118.55 1wxl h ARG 25 Ca -0.01 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1wxl h ARG 25 Cb 0.97 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1wxl h ARG 25 CO 0.07 1.11 0.00 0.39 -1.07 0.00 0.00 179.97 180.47 1wxl n GLU 26 N -4.15 0.15 -2.91 0.04 -0.58 -0.77 -3.80 120.64 108.61 1wxl n GLU 26 Ca -0.08 0.48 -0.09 0.00 -0.42 0.00 0.00 57.16 57.05 1wxl n GLU 26 Cb 0.64 -1.84 -0.02 0.00 -0.57 0.00 0.00 31.44 29.66 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 -3.97 -0.81 0.00 1.62 0.01 -0.06 -5.03 114.94 106.70 1wxl s ASN 27 Ca 0.02 -2.03 -0.02 0.00 -0.71 0.00 0.00 52.86 50.12 1wxl s ASN 27 Cb 0.08 1.38 -0.09 0.00 0.41 0.00 0.00 41.25 43.02 1wxl s ASN 27 CO 0.29 -0.08 1.84 -0.81 -1.51 0.00 0.00 177.10 176.84 1wxl n PRO 28 N 2.93 0.93 -0.13 -0.60 -0.04 0.71 -2.62 135.00 136.18 1wxl n PRO 28 Ca 0.21 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1wxl n PRO 28 Cb 0.54 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 2.23 0.73 0.00 0.55 0.00 -1.26 -5.09 105.19 102.35 1wxl n GLY 29 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 -3.54 -0.61 -5.35 -1.08 -5.13 119.36 103.65 1wxl n ILE 30 Ca 0.00 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.34 1wxl n ILE 30 Cb 0.36 -0.02 -0.05 0.00 -1.74 0.00 0.00 39.64 38.19 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 1.20 1.07 0.35 6.28 -2.85 -1.26 -4.99 119.74 119.54 1wxl s LYS 31 Ca 0.00 -0.19 0.28 0.00 -1.00 0.00 0.00 55.97 55.06 1wxl s LYS 31 Cb 0.00 0.49 1.15 0.00 -2.06 0.00 0.00 37.83 37.42 1wxl s LYS 31 CO 0.00 -0.39 1.14 1.55 0.10 0.00 0.00 175.35 177.75 1wxl n VAL 32 N 0.37 -0.13 0.11 1.79 3.14 -1.26 0.22 118.33 122.57 1wxl n VAL 32 Ca -0.18 1.25 -0.00 0.00 -2.96 0.00 0.00 64.34 62.45 1wxl n VAL 32 Cb 0.60 -2.06 -0.02 0.00 -1.06 0.00 0.00 33.84 31.30 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 1.08 0.00 1.55 1.35 -1.99 -2.98 112.91 111.92 1wxl h THR 33 Ca 0.66 -2.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 1wxl h THR 33 Cb 2.30 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 71.25 1wxl h THR 33 CO -0.24 0.62 -0.52 -0.08 -0.25 0.00 0.00 175.52 175.05 1wxl h GLU 34 N 0.00 0.00 0.01 4.72 4.81 0.22 -2.59 114.58 121.75 1wxl h GLU 34 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1wxl h GLU 34 Cb 1.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.89 1wxl h GLU 34 CO 0.08 0.00 -0.01 0.82 -0.73 0.00 0.00 179.01 179.18 1wxl h ILE 35 N 0.00 1.50 0.00 2.32 2.04 -1.35 0.22 117.51 122.24 1wxl h ILE 35 Ca 0.00 -1.63 -0.05 0.00 1.00 0.00 0.00 64.86 64.18 1wxl h ILE 35 Cb 1.00 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 1wxl h ILE 35 CO 0.00 0.42 -0.23 0.00 0.00 0.00 0.00 178.15 178.33 1wxl h ALA 36 N 0.23 1.03 0.00 1.87 0.00 -1.62 -2.00 119.26 118.76 1wxl h ALA 36 Ca -0.00 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 54.42 1wxl h ALA 36 Cb 0.69 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1wxl h ALA 36 CO 0.00 0.29 -1.56 1.17 0.00 0.00 0.00 179.25 179.16 1wxl n LYS 37 N -3.41 0.56 0.07 0.00 0.00 -0.98 -3.45 118.16 110.96 1wxl n LYS 37 Ca 0.00 0.48 0.09 0.00 0.00 0.00 0.00 58.31 58.88 1wxl n LYS 37 Cb 0.43 -1.66 0.40 0.00 0.00 0.00 0.00 35.03 34.20 1wxl n LYS 37 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1wxl n LYS 38 N -4.40 0.10 -0.02 1.64 -0.00 0.76 -2.73 118.16 113.51 1wxl n LYS 38 Ca -0.36 0.36 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1wxl n LYS 38 Cb 0.70 -1.70 -0.13 0.00 -0.00 0.00 0.00 35.03 33.90 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 2.24 0.23 0.62 2.58 0.00 -1.49 -3.34 103.07 103.91 1wxl h GLY 39 Ca 0.00 -0.59 0.09 0.00 0.00 0.00 0.00 47.33 46.83 1wxl h GLY 39 CO 0.00 0.51 0.61 -1.33 0.00 0.00 0.00 176.54 176.33 1wxl h GLY 40 N 0.26 1.51 0.73 4.60 0.00 -1.54 1.09 103.07 109.72 1wxl h GLY 40 Ca -0.37 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 46.58 1wxl h GLY 40 CO 0.01 0.24 0.19 1.05 0.00 0.00 0.00 176.54 178.04 1wxl h GLU 41 N 1.04 0.38 0.03 4.80 4.11 -1.69 0.19 114.58 123.44 1wxl h GLU 41 Ca 0.44 -0.02 -0.22 0.00 0.07 0.00 0.00 59.36 59.63 1wxl h GLU 41 Cb 0.30 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1wxl h GLU 41 CO -0.21 0.25 -0.97 0.00 0.07 0.00 0.00 179.01 178.15 1wxl h MET 42 N 0.39 0.25 0.43 1.06 -0.00 -1.45 -3.33 114.93 112.28 1wxl h MET 42 Ca 0.19 -0.31 -0.02 0.00 -0.00 0.00 0.00 59.70 59.56 1wxl h MET 42 Cb 0.12 0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 1wxl h MET 42 CO -0.15 1.04 -0.21 2.35 -0.00 0.00 0.00 176.91 179.95 1wxl h TRP 43 N 0.13 -0.53 -0.93 -0.10 2.91 0.17 -2.79 115.95 114.80 1wxl h TRP 43 Ca -0.07 -0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.09 1wxl h TRP 43 Cb 1.63 0.18 -0.16 0.00 -0.51 0.00 0.00 29.16 30.29 1wxl h TRP 43 CO 0.04 -0.26 -0.35 0.87 -1.03 0.00 0.00 178.44 177.71 1wxl h LYS 44 N -0.71 -0.02 -0.99 2.65 1.57 -0.75 0.40 116.57 118.72 1wxl h LYS 44 Ca -0.06 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.34 1wxl h LYS 44 Cb 0.51 0.01 -0.23 0.00 0.08 0.00 0.00 32.23 32.60 1wxl h LYS 44 CO 0.10 -0.02 0.49 -0.85 -0.57 0.00 0.00 179.45 178.60 1wxl n GLU 45 N -5.49 2.06 -4.06 3.15 0.28 -1.22 -4.93 120.64 110.42 1wxl n GLU 45 Ca 0.10 -2.34 -0.33 0.00 -0.16 0.00 0.00 57.16 54.43 1wxl n GLU 45 Cb 0.41 -1.92 -0.07 0.00 1.43 0.00 0.00 31.44 31.29 1wxl n GLU 45 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1wxl s LEU 46 N -2.54 3.99 -0.10 -1.84 0.20 0.14 -5.00 118.68 113.52 1wxl s LEU 46 Ca 0.44 0.18 0.13 0.00 0.69 0.00 0.00 54.13 55.57 1wxl s LEU 46 Cb 0.37 -2.34 0.55 0.00 -0.43 0.00 0.00 46.19 44.34 1wxl s LEU 46 CO 0.09 0.27 1.40 0.29 -0.29 0.00 0.00 176.35 178.11 1wxl n LYS 47 N 1.12 3.20 0.00 1.98 4.01 -1.26 -3.55 118.16 123.65 1wxl n LYS 47 Ca -0.12 -2.15 0.09 0.00 -0.51 0.00 0.00 58.31 55.61 1wxl n LYS 47 Cb 0.53 -1.80 -0.08 0.00 -0.51 0.00 0.00 35.03 33.17 1wxl n LYS 47 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1wxl n ASP 48 N 0.71 1.11 0.15 4.39 2.03 -1.26 -4.19 116.55 119.48 1wxl n ASP 48 Ca 0.19 -1.05 0.08 0.00 0.52 0.00 0.00 54.79 54.53 1wxl n ASP 48 Cb 0.74 0.86 0.06 0.00 -0.72 0.00 0.00 41.12 42.06 1wxl n ASP 48 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1wxl h LYS 49 N 0.56 0.00 -0.01 -0.67 3.11 -1.86 0.33 116.57 118.03 1wxl h LYS 49 Ca 0.00 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.65 1wxl h LYS 49 Cb 0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.70 1wxl h LYS 49 CO 0.00 0.17 -0.81 1.03 -2.81 0.00 0.00 179.45 177.03 1wxl h SER 50 N 0.00 0.26 0.37 4.20 0.87 -1.79 0.51 113.55 117.97 1wxl h SER 50 Ca -0.02 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1wxl h SER 50 Cb 1.18 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1wxl h SER 50 CO 0.02 0.97 -1.07 2.29 -0.53 0.00 0.00 176.83 178.51 1wxl n LYS 51 N -3.71 0.28 -0.07 2.24 2.85 -1.20 -4.23 118.16 114.32 1wxl n LYS 51 Ca -0.03 -0.01 -0.21 0.00 -1.05 0.00 0.00 58.31 57.00 1wxl n LYS 51 Cb 0.76 -1.58 -0.13 0.00 -0.65 0.00 0.00 35.03 33.44 1wxl n LYS 51 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1wxl n TRP 52 N -1.93 0.65 -0.34 5.58 5.03 0.12 -4.24 117.44 122.32 1wxl n TRP 52 Ca 0.02 0.16 0.20 0.00 3.03 0.00 0.00 57.50 60.91 1wxl n TRP 52 Cb 0.43 -1.08 0.44 0.00 -1.03 0.00 0.00 31.31 30.07 1wxl n TRP 52 CO 0.00 0.00 0.00 0.93 -0.03 0.00 0.00 177.69 178.59 1wxl h GLU 53 N -0.17 0.48 -0.79 -0.99 4.39 -0.17 0.73 114.58 118.07 1wxl h GLU 53 Ca -0.50 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.24 1wxl h GLU 53 Cb 1.87 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 30.36 1wxl h GLU 53 CO -0.06 0.32 0.52 0.38 -1.16 0.00 0.00 179.01 179.01 1wxl h ASP 54 N 0.50 0.74 -0.46 1.42 3.04 -1.74 0.39 116.42 120.32 1wxl h ASP 54 Ca 0.62 0.01 0.04 0.00 -3.24 0.00 0.00 57.03 54.46 1wxl h ASP 54 Cb 1.36 -0.15 -0.04 0.00 -1.04 0.00 0.00 39.33 39.45 1wxl h ASP 54 CO -0.39 0.47 0.21 0.00 -2.04 0.00 0.00 179.24 177.49 1wxl h ALA 55 N 1.57 0.57 0.68 4.15 0.00 0.29 0.28 119.26 126.80 1wxl h ALA 55 Ca 0.35 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1wxl h ALA 55 Cb 0.27 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1wxl h ALA 55 CO -0.12 -0.16 -0.33 0.00 0.00 0.00 0.00 179.25 178.64 1wxl h ALA 56 N 1.26 -0.91 0.00 0.00 0.00 -0.18 0.31 119.26 119.74 1wxl h ALA 56 Ca 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wxl h ALA 56 Cb 0.14 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1wxl h ALA 56 CO -0.17 -0.91 -0.12 0.00 0.00 0.00 0.00 179.25 178.05 1wxl h ALA 57 N -0.94 1.30 0.13 0.00 0.00 -0.62 -0.11 119.26 119.01 1wxl h ALA 57 Ca -0.09 -0.11 -0.30 0.00 0.00 0.00 0.00 54.91 54.41 1wxl h ALA 57 Cb 0.73 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wxl h ALA 57 CO 0.15 0.15 -1.47 1.57 0.00 0.00 0.00 179.25 179.65 1wxl h LYS 58 N 0.00 0.27 0.14 0.00 2.10 -0.37 -3.03 116.57 115.67 1wxl h LYS 58 Ca -0.00 -0.45 -0.29 0.00 -2.00 0.00 0.00 60.65 57.90 1wxl h LYS 58 Cb 0.33 0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1wxl h LYS 58 CO 0.02 1.15 -1.39 0.22 -2.00 0.00 0.00 179.45 177.44 1wxl h ASP 59 N 0.07 0.45 -0.44 7.07 1.82 -0.07 -1.87 116.42 123.45 1wxl h ASP 59 Ca -0.22 -0.54 -0.13 0.00 -0.39 0.00 0.00 57.03 55.75 1wxl h ASP 59 Cb 2.01 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 41.86 1wxl h ASP 59 CO 0.18 1.43 -0.23 0.07 -1.61 0.00 0.00 179.24 179.08 1wxl h LYS 60 N 0.08 0.96 0.00 0.28 2.10 -1.18 0.23 116.57 119.04 1wxl h LYS 60 Ca -0.19 -0.41 -0.06 0.00 -2.00 0.00 0.00 60.65 57.99 1wxl h LYS 60 Cb 2.01 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 33.30 1wxl h LYS 60 CO 0.19 1.08 -0.27 1.96 -2.00 0.00 0.00 179.45 180.42 1wxl h GLN 61 N 0.82 0.00 0.00 0.07 4.20 -1.61 -0.98 115.11 117.62 1wxl h GLN 61 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1wxl h GLN 61 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1wxl h GLN 61 CO 0.07 0.27 -0.98 -2.13 -0.67 0.00 0.00 178.83 175.39 1wxl n ARG 62 N -3.36 0.41 0.00 1.46 0.63 -0.70 -1.91 116.66 113.20 1wxl n ARG 62 Ca 0.01 0.05 -0.21 0.00 -0.92 0.00 0.00 57.85 56.77 1wxl n ARG 62 Cb 0.49 -1.69 -0.14 0.00 0.45 0.00 0.00 32.46 31.57 1wxl n ARG 62 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1wxl h TYR 63 N 0.00 0.41 0.00 -0.14 3.20 -0.27 -3.31 116.97 116.86 1wxl h TYR 63 Ca 0.00 -0.30 -0.12 0.00 3.14 0.00 0.00 58.73 61.45 1wxl h TYR 63 Cb 0.84 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1wxl h TYR 63 CO 0.00 1.48 -0.58 1.12 -1.64 0.00 0.00 178.16 178.54 1wxl h HIS 64 N -0.40 0.00 0.00 -3.82 2.07 -1.33 2.22 115.15 113.89 1wxl h HIS 64 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 1wxl h HIS 64 Cb 1.67 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.65 1wxl h HIS 64 CO 0.14 0.58 0.00 -0.25 -3.07 0.00 0.00 177.93 175.34 1wxl n ASP 65 N -3.64 0.00 0.00 3.10 9.92 -0.80 -3.22 116.55 121.91 1wxl n ASP 65 Ca -0.01 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1wxl n ASP 65 Cb 0.63 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 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 -1.34 0.00 -0.10 -1.24 0.28 -1.11 -4.94 120.64 112.20 1wxl n GLU 66 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.07 1wxl n GLU 66 Cb 0.00 0.00 0.10 0.00 1.43 0.00 0.00 31.44 32.97 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 -0.29 1.44 -0.29 3.44 2.81 0.65 -4.72 117.12 120.16 1wxl n MET 67 Ca 0.00 -2.18 0.09 0.00 -1.81 0.00 0.00 57.70 53.80 1wxl n MET 67 Cb 0.00 -1.29 0.21 0.00 -0.71 0.00 0.00 33.22 31.43 1wxl n MET 67 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1wxl h ARG 68 N 0.00 0.08 -0.18 0.03 0.11 0.14 0.06 114.38 114.63 1wxl h ARG 68 Ca 0.00 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 1wxl h ARG 68 Cb 0.95 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.00 1wxl h ARG 68 CO 0.00 0.05 -0.01 0.27 0.10 0.00 0.00 179.97 180.38 1wxl n ASN 69 N -5.39 3.26 0.15 0.08 0.23 -1.26 -4.64 115.26 107.70 1wxl n ASN 69 Ca 0.18 -3.10 0.02 0.00 -0.53 0.00 0.00 54.58 51.14 1wxl n ASN 69 Cb 0.59 -0.51 0.36 0.00 -2.08 0.00 0.00 39.78 38.13 1wxl n ASN 69 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 1wxl h TYR 70 N 1.15 0.12 -4.08 -2.53 -1.99 -1.24 -3.43 116.97 104.97 1wxl h TYR 70 Ca 0.01 -0.02 -0.55 0.00 2.00 0.00 0.00 58.73 60.18 1wxl h TYR 70 Cb 1.31 -0.03 0.13 0.00 2.00 0.00 0.00 36.73 40.14 1wxl h TYR 70 CO 0.37 0.39 0.53 0.21 -0.00 0.00 0.00 178.16 179.67 1wxl s LYS 71 N -4.38 2.92 -0.87 4.88 2.20 -1.26 -4.78 119.74 118.45 1wxl s LYS 71 Ca -0.04 2.05 -0.20 0.00 -0.36 0.00 0.00 55.97 57.42 1wxl s LYS 71 Cb 0.15 -2.03 -0.21 0.00 -1.51 0.00 0.00 37.83 34.22 1wxl s LYS 71 CO 0.73 -1.31 2.32 -2.30 -0.36 0.00 0.00 175.35 174.44 1wxl n PRO 72 N -1.45 0.35 -1.13 4.03 -0.02 -1.26 -4.71 135.00 130.80 1wxl n PRO 72 Ca 0.13 -0.54 -0.15 0.00 -2.02 0.00 0.00 63.50 60.91 1wxl n PRO 72 Cb 0.47 -2.71 0.15 0.00 -0.02 0.00 0.00 33.50 31.39 1wxl n PRO 72 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1wxl n GLU 73 N 7.60 2.27 0.00 -0.52 4.07 -1.26 -5.22 120.64 127.57 1wxl n GLU 73 Ca 0.55 -3.31 0.02 0.00 -0.06 0.00 0.00 57.16 54.36 1wxl n GLU 73 Cb 0.32 -2.02 0.13 0.00 -0.06 0.00 0.00 31.44 29.82 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07