#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 -3.90 0.00 1.43 -0.00 -1.26 -5.05 115.22 106.44 1wxl n HIS 3 Ca 0.00 2.15 0.00 0.00 -0.00 0.00 0.00 57.72 59.87 1wxl n HIS 3 Cb 0.00 -3.55 0.00 0.00 -0.00 0.00 0.00 29.99 26.44 1wxl n HIS 3 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1wxl n MET 4 N -4.36 0.00 -1.75 -0.41 0.00 -1.26 -5.12 117.12 104.22 1wxl n MET 4 Ca -0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 57.70 57.18 1wxl n MET 4 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.88 1wxl n MET 4 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1wxl s PRO 5 N 0.00 3.77 0.00 2.12 0.02 -1.26 -4.98 135.00 134.66 1wxl s PRO 5 Ca 0.00 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1wxl s PRO 5 Cb 0.00 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.32 1wxl s PRO 5 CO 0.00 -1.37 0.00 1.63 -0.33 0.00 0.00 177.00 176.93 1wxl n LYS 6 N 7.92 3.82 -1.06 5.54 5.02 -1.26 -4.83 118.16 133.31 1wxl n LYS 6 Ca 0.23 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.50 1wxl n LYS 6 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.42 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 0.00 0.00 0.00 1.97 5.12 -1.26 -4.59 116.66 117.90 1wxl n ARG 7 Ca 0.00 -1.24 0.00 0.00 -1.93 0.00 0.00 57.85 54.68 1wxl n ARG 7 Cb 0.00 0.15 0.00 0.00 -1.16 0.00 0.00 32.46 31.45 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 0.18 0.00 -2.38 7.54 0.00 -1.26 -4.41 120.51 120.18 1wxl n ALA 8 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 1wxl n ALA 8 Cb 0.84 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.78 2.41 0.61 0.00 2.01 -1.26 -4.94 115.64 112.68 1wxl s THR 9 Ca 0.00 -1.09 -0.17 0.00 0.31 0.00 0.00 61.69 60.74 1wxl s THR 9 Cb 0.00 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1wxl s THR 9 CO 0.00 0.50 1.15 0.42 -0.69 0.00 0.00 174.62 176.00 1wxl s THR 10 N -0.72 2.98 0.28 -0.82 -4.23 -1.26 -3.89 115.64 107.97 1wxl s THR 10 Ca 0.11 0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 61.17 1wxl s THR 10 Cb -0.10 -3.14 0.30 0.00 1.34 0.00 0.00 72.50 70.90 1wxl s THR 10 CO 0.01 -0.19 1.64 0.00 -0.54 0.00 0.00 174.62 175.54 1wxl h ALA 11 N 0.61 1.13 -0.08 3.99 0.00 -1.88 1.15 119.26 124.18 1wxl h ALA 11 Ca -0.49 0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1wxl h ALA 11 Cb 1.27 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1wxl h ALA 11 CO 0.55 -0.45 -0.35 0.35 0.00 0.00 0.00 179.25 179.35 1wxl h PHE 12 N 0.17 0.18 0.00 0.00 3.57 -1.95 -2.67 116.94 116.24 1wxl h PHE 12 Ca 0.51 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.97 1wxl h PHE 12 Cb 1.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1wxl h PHE 12 CO -0.32 0.49 -0.05 0.52 -2.23 0.00 0.00 178.31 176.73 1wxl h MET 13 N 0.14 0.00 -1.02 1.11 2.86 0.63 -1.40 114.93 117.25 1wxl h MET 13 Ca 0.02 0.00 0.28 0.00 -2.06 0.00 0.00 59.70 57.93 1wxl h MET 13 Cb 0.69 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.29 1wxl h MET 13 CO 0.05 0.00 0.71 1.37 1.06 0.00 0.00 176.91 180.10 1wxl h LEU 14 N -0.77 0.17 0.14 1.22 -0.00 0.29 0.94 115.31 117.31 1wxl h LEU 14 Ca 0.00 0.03 -0.25 0.00 -0.00 0.00 0.00 57.88 57.66 1wxl h LEU 14 Cb 0.05 -0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.72 1wxl h LEU 14 CO 0.00 0.04 -1.18 -0.25 -0.00 0.00 0.00 178.44 177.05 1wxl h TRP 15 N 0.15 0.55 0.00 0.17 7.01 -1.60 -3.10 115.95 119.13 1wxl h TRP 15 Ca 0.52 -0.40 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1wxl h TRP 15 Cb 1.75 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.79 1wxl h TRP 15 CO -0.00 1.46 0.00 1.25 -2.79 0.00 0.00 178.44 178.36 1wxl h LEU 16 N -0.27 0.00 0.10 0.65 5.85 0.29 0.68 115.31 122.61 1wxl h LEU 16 Ca -0.23 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1wxl h LEU 16 Cb 1.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.80 1wxl h LEU 16 CO 0.12 0.00 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.04 1wxl h ASN 17 N 0.00 -0.12 1.06 1.25 -0.73 0.83 4.91 115.58 122.77 1wxl h ASN 17 Ca 0.00 -0.46 -0.07 0.00 1.87 0.00 0.00 56.30 57.64 1wxl h ASN 17 Cb 0.16 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 1wxl h ASN 17 CO 0.00 0.50 -0.34 -0.78 -0.37 0.00 0.00 177.43 176.44 1wxl h ASP 18 N -0.83 0.00 0.00 1.15 3.58 -1.33 -3.10 116.42 115.88 1wxl h ASP 18 Ca -0.01 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.38 1wxl h ASP 18 Cb 0.57 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1wxl h ASP 18 CO 0.02 0.34 -1.91 0.41 -2.88 0.00 0.00 179.24 175.22 1wxl n THR 19 N -3.39 0.19 -0.30 2.25 -1.04 0.23 -4.08 114.28 108.14 1wxl n THR 19 Ca 0.01 -0.48 0.11 0.00 -2.04 0.00 0.00 64.05 61.65 1wxl n THR 19 Cb 0.53 -0.03 0.34 0.00 -1.82 0.00 0.00 70.33 69.35 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 0.75 -0.54 -2.82 2.43 0.99 1.75 114.38 116.94 1wxl h ARG 20 Ca -0.08 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 1wxl h ARG 20 Cb 1.05 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1wxl h ARG 20 CO 0.00 0.50 0.01 1.05 -1.51 0.00 0.00 179.97 180.02 1wxl h GLU 21 N 0.77 0.92 0.00 0.20 4.11 -1.71 -2.29 114.58 116.58 1wxl h GLU 21 Ca 0.47 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 59.62 1wxl h GLU 21 Cb 0.67 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1wxl h GLU 21 CO -0.23 0.90 -0.08 0.77 0.07 0.00 0.00 179.01 180.44 1wxl h SER 22 N 0.85 0.00 0.09 3.06 0.02 0.21 -2.86 113.55 114.92 1wxl h SER 22 Ca 0.16 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 1wxl h SER 22 Cb 0.49 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.04 1wxl h SER 22 CO 0.02 0.08 -0.64 0.40 -1.14 0.00 0.00 176.83 175.55 1wxl h ILE 23 N 0.00 1.54 0.00 3.27 2.04 0.97 -2.01 117.51 123.31 1wxl h ILE 23 Ca -0.00 -2.41 -0.06 0.00 1.00 0.00 0.00 64.86 63.39 1wxl h ILE 23 Cb 0.59 3.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.78 1wxl h ILE 23 CO 0.01 0.68 -0.27 0.50 0.00 0.00 0.00 178.15 179.06 1wxl h LYS 24 N -0.43 0.00 -0.21 2.37 1.63 -1.44 0.60 116.57 119.09 1wxl h LYS 24 Ca -0.11 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.52 1wxl h LYS 24 Cb 1.47 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.11 1wxl h LYS 24 CO 0.12 0.27 -0.54 0.00 -3.45 0.00 0.00 179.45 175.86 1wxl h ARG 25 N 0.00 0.74 0.00 1.90 3.08 -1.56 0.72 114.38 119.26 1wxl h ARG 25 Ca -0.00 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1wxl h ARG 25 Cb 0.51 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1wxl h ARG 25 CO 0.04 1.13 0.00 0.93 -1.07 0.00 0.00 179.97 181.00 1wxl h GLU 26 N 0.46 0.00 -0.85 0.04 4.39 -0.55 -3.30 114.58 114.76 1wxl h GLU 26 Ca -0.01 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.43 1wxl h GLU 26 Cb 1.16 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.61 1wxl h GLU 26 CO 0.12 0.00 -0.60 0.09 -1.16 0.00 0.00 179.01 177.46 1wxl n ASN 27 N -2.33 -2.60 -2.46 1.42 3.02 0.12 -5.04 115.26 107.39 1wxl n ASN 27 Ca 0.01 -2.99 -0.06 0.00 -0.03 0.00 0.00 54.58 51.51 1wxl n ASN 27 Cb 0.16 1.32 -0.05 0.00 -0.61 0.00 0.00 39.78 40.60 1wxl n ASN 27 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1wxl n PRO 28 N 2.29 0.76 -0.03 3.52 -0.02 0.24 -2.19 135.00 139.57 1wxl n PRO 28 Ca 0.16 -0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 1wxl n PRO 28 Cb 0.58 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1wxl n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wxl n GLY 29 N 3.01 0.33 0.00 -1.23 0.00 -1.26 -5.08 105.19 100.96 1wxl n GLY 29 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.80 -0.61 -5.35 -0.93 -5.11 119.36 103.55 1wxl n ILE 30 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 1wxl n ILE 30 Cb 0.17 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 37.97 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 0.38 0.55 0.30 6.28 -2.85 -1.26 -5.00 119.74 118.13 1wxl s LYS 31 Ca 0.00 -0.19 0.21 0.00 -1.00 0.00 0.00 55.97 55.00 1wxl s LYS 31 Cb 0.00 0.24 1.02 0.00 -2.06 0.00 0.00 37.83 37.02 1wxl s LYS 31 CO 0.00 -0.14 1.08 1.55 0.10 0.00 0.00 175.35 177.94 1wxl n VAL 32 N 1.59 -0.19 0.14 1.79 3.14 -1.26 0.25 118.33 123.78 1wxl n VAL 32 Ca -0.21 1.27 0.09 0.00 -2.96 0.00 0.00 64.34 62.53 1wxl n VAL 32 Cb 0.56 -2.08 0.05 0.00 -1.06 0.00 0.00 33.84 31.31 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 0.17 -0.05 1.55 1.35 -2.00 -3.28 112.91 110.64 1wxl h THR 33 Ca 0.60 -1.27 -0.18 0.00 -0.55 0.00 0.00 66.41 65.01 1wxl h THR 33 Cb 1.90 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 70.16 1wxl h THR 33 CO -0.36 0.10 -0.76 -0.08 -0.25 0.00 0.00 175.52 174.17 1wxl h GLU 34 N 0.00 0.34 -0.59 4.72 4.81 0.29 -2.67 114.58 121.47 1wxl h GLU 34 Ca -0.02 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1wxl h GLU 34 Cb 1.12 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1wxl h GLU 34 CO 0.01 0.95 0.34 0.82 -0.73 0.00 0.00 179.01 180.40 1wxl h ILE 35 N 0.22 1.19 0.00 2.32 2.04 -1.53 0.31 117.51 122.06 1wxl h ILE 35 Ca -0.03 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1wxl h ILE 35 Cb 1.34 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1wxl h ILE 35 CO 0.13 0.20 -0.25 0.00 0.00 0.00 0.00 178.15 178.22 1wxl h ALA 36 N 1.16 1.18 0.00 1.87 0.00 -1.60 -1.82 119.26 120.05 1wxl h ALA 36 Ca 0.21 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 1wxl h ALA 36 Cb 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1wxl h ALA 36 CO -0.04 0.32 -1.39 1.63 0.00 0.00 0.00 179.25 179.77 1wxl n LYS 37 N -3.65 0.55 0.00 0.00 4.76 -0.84 -3.62 118.16 115.36 1wxl n LYS 37 Ca -0.01 0.50 0.07 0.00 -2.87 0.00 0.00 58.31 56.00 1wxl n LYS 37 Cb 0.38 -1.68 0.31 0.00 -1.84 0.00 0.00 35.03 32.20 1wxl n LYS 37 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1wxl n LYS 38 N -4.42 0.04 -0.02 1.97 -0.00 0.10 -2.60 118.16 113.23 1wxl n LYS 38 Ca -0.33 0.24 -0.21 0.00 -0.00 0.00 0.00 58.31 58.01 1wxl n LYS 38 Cb 0.66 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 34.06 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 2.42 0.21 0.65 2.58 0.00 -1.49 -3.32 103.07 104.12 1wxl h GLY 39 Ca 0.00 -0.54 0.08 0.00 0.00 0.00 0.00 47.33 46.87 1wxl h GLY 39 CO 0.00 0.48 0.59 -1.33 0.00 0.00 0.00 176.54 176.27 1wxl h GLY 40 N -0.04 1.45 0.64 4.60 0.00 -1.56 0.93 103.07 109.08 1wxl h GLY 40 Ca -0.32 -0.42 0.06 0.00 0.00 0.00 0.00 47.33 46.65 1wxl h GLY 40 CO 0.00 0.25 0.24 1.05 0.00 0.00 0.00 176.54 178.08 1wxl h GLU 41 N 1.02 0.44 0.01 4.80 4.11 -1.68 0.20 114.58 123.49 1wxl h GLU 41 Ca 0.42 -0.03 -0.25 0.00 0.07 0.00 0.00 59.36 59.57 1wxl h GLU 41 Cb 0.26 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.42 1wxl h GLU 41 CO -0.20 0.29 -1.02 0.00 0.07 0.00 0.00 179.01 178.15 1wxl h MET 42 N 0.46 0.56 0.04 1.06 -0.00 -1.39 -3.31 114.93 112.34 1wxl h MET 42 Ca 0.24 -0.62 -0.00 0.00 -0.00 0.00 0.00 59.70 59.32 1wxl h MET 42 Cb 0.19 0.18 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 1wxl h MET 42 CO -0.20 1.23 -0.02 2.35 -0.00 0.00 0.00 176.91 180.28 1wxl h TRP 43 N 0.31 -0.05 -0.99 -0.10 2.91 0.13 -2.85 115.95 115.31 1wxl h TRP 43 Ca -0.11 -0.00 0.24 0.00 1.13 0.00 0.00 58.89 60.14 1wxl h TRP 43 Cb 1.67 0.02 -0.19 0.00 -0.51 0.00 0.00 29.16 30.15 1wxl h TRP 43 CO 0.08 -0.02 -0.10 0.87 -1.03 0.00 0.00 178.44 178.24 1wxl h LYS 44 N -0.06 0.00 -1.95 2.65 1.79 -0.71 0.31 116.57 118.60 1wxl h LYS 44 Ca -0.01 -0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.73 1wxl h LYS 44 Cb 0.05 -0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 30.39 1wxl h LYS 44 CO 0.01 0.00 0.65 0.39 -1.08 0.00 0.00 179.45 179.42 1wxl n GLU 45 N -5.55 3.25 -4.17 3.15 -0.58 -1.09 -4.98 120.64 110.66 1wxl n GLU 45 Ca 0.20 -3.91 -0.34 0.00 -0.42 0.00 0.00 57.16 52.68 1wxl n GLU 45 Cb 0.64 -2.29 -0.10 0.00 -0.57 0.00 0.00 31.44 29.12 1wxl n GLU 45 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1wxl s LEU 46 N -3.98 3.63 0.00 -4.62 2.96 0.11 -4.98 118.68 111.80 1wxl s LEU 46 Ca 0.49 0.04 0.28 0.00 -0.22 0.00 0.00 54.13 54.72 1wxl s LEU 46 Cb 0.39 -1.89 1.07 0.00 0.50 0.00 0.00 46.19 46.26 1wxl s LEU 46 CO -0.33 0.21 1.75 0.29 -1.32 0.00 0.00 176.35 176.95 1wxl n LYS 47 N 3.30 1.43 0.00 1.98 5.02 -1.26 -2.67 118.16 125.95 1wxl n LYS 47 Ca -0.17 -0.78 0.11 0.00 -2.02 0.00 0.00 58.31 55.44 1wxl n LYS 47 Cb 0.53 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 34.07 1wxl n LYS 47 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wxl n ASP 48 N -0.10 2.22 0.10 4.39 9.92 -1.26 -4.12 116.55 127.70 1wxl n ASP 48 Ca 0.18 -1.61 -0.02 0.00 -0.53 0.00 0.00 54.79 52.81 1wxl n ASP 48 Cb 0.33 0.35 -0.04 0.00 -0.64 0.00 0.00 41.12 41.12 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 2.92 0.00 -0.00 -1.24 3.64 -1.84 0.81 116.57 120.86 1wxl h LYS 49 Ca 0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1wxl h LYS 49 Cb 0.79 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1wxl h LYS 49 CO 0.00 0.71 -0.58 1.03 -2.27 0.00 0.00 179.45 178.34 1wxl h SER 50 N 0.00 0.00 0.14 4.20 0.87 -1.72 0.87 113.55 117.91 1wxl h SER 50 Ca -0.02 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1wxl h SER 50 Cb 1.57 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1wxl h SER 50 CO 0.09 0.58 -1.15 2.29 -0.53 0.00 0.00 176.83 178.11 1wxl n LYS 51 N -3.85 0.19 -0.08 2.24 2.85 -1.14 -4.37 118.16 113.99 1wxl n LYS 51 Ca -0.01 -0.04 -0.11 0.00 -1.05 0.00 0.00 58.31 57.10 1wxl n LYS 51 Cb 0.58 -1.53 -0.09 0.00 -0.65 0.00 0.00 35.03 33.35 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 -1.75 0.00 0.27 5.58 7.02 0.28 -4.38 117.44 124.47 1wxl n TRP 52 Ca 0.02 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.67 1wxl n TRP 52 Cb 0.40 -0.67 0.83 0.00 -2.42 0.00 0.00 31.31 29.45 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 9.09 0.59 1.10 114.58 124.37 1wxl h GLU 53 Ca -0.38 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 58.94 1wxl h GLU 53 Cb 1.67 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.76 1wxl h GLU 53 CO -0.04 0.00 -0.55 0.22 0.05 0.00 0.00 179.01 178.69 1wxl h ASP 54 N 0.00 0.00 -0.54 3.06 3.58 -1.76 -2.96 116.42 117.80 1wxl h ASP 54 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1wxl h ASP 54 Cb 0.70 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.72 1wxl h ASP 54 CO -0.00 0.38 0.35 0.00 -2.88 0.00 0.00 179.24 177.09 1wxl h ALA 55 N 1.62 0.68 -0.11 -0.78 0.00 0.11 0.51 119.26 121.29 1wxl h ALA 55 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wxl h ALA 55 Cb 1.31 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wxl h ALA 55 CO 0.05 0.14 0.04 0.00 0.00 0.00 0.00 179.25 179.47 1wxl h ALA 56 N 1.18 0.14 0.00 0.00 0.00 -1.50 0.85 119.26 119.94 1wxl h ALA 56 Ca 0.20 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1wxl h ALA 56 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1wxl h ALA 56 CO -0.04 -0.25 -0.65 0.00 0.00 0.00 0.00 179.25 178.31 1wxl h ALA 57 N 0.86 0.81 0.15 0.00 0.00 -1.37 -1.18 119.26 118.53 1wxl h ALA 57 Ca 0.04 -0.59 -0.29 0.00 0.00 0.00 0.00 54.91 54.07 1wxl h ALA 57 Cb 0.20 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.91 1wxl h ALA 57 CO -0.00 0.81 -1.28 1.57 0.00 0.00 0.00 179.25 180.34 1wxl h LYS 58 N 0.00 0.42 -0.08 0.00 2.10 0.11 -3.17 116.57 115.94 1wxl h LYS 58 Ca -0.01 -0.65 -0.13 0.00 -2.00 0.00 0.00 60.65 57.86 1wxl h LYS 58 Cb 1.23 0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 32.79 1wxl h LYS 58 CO 0.08 1.30 -0.53 -0.44 -2.00 0.00 0.00 179.45 177.86 1wxl h ASP 59 N 0.14 0.26 0.06 7.07 5.19 0.78 0.14 116.42 130.06 1wxl h ASP 59 Ca -0.17 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 1wxl h ASP 59 Cb 1.98 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 41.42 1wxl h ASP 59 CO 0.23 0.74 -0.06 0.07 -3.12 0.00 0.00 179.24 177.10 1wxl h LYS 60 N 0.18 0.01 0.06 3.56 2.10 -1.22 0.34 116.57 121.60 1wxl h LYS 60 Ca 0.00 -0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.41 1wxl h LYS 60 Cb 0.99 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.30 1wxl h LYS 60 CO 0.08 0.07 -1.32 0.37 -2.00 0.00 0.00 179.45 176.66 1wxl h GLN 61 N 0.01 0.12 0.00 0.07 5.75 -1.42 -2.74 115.11 116.91 1wxl h GLN 61 Ca 0.00 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.27 1wxl h GLN 61 Cb 0.12 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 1wxl h GLN 61 CO 0.01 1.10 -0.08 -0.09 -2.65 0.00 0.00 178.83 177.12 1wxl h ARG 62 N -0.60 0.00 0.00 1.69 2.43 -0.48 -0.57 114.38 116.85 1wxl h ARG 62 Ca -0.32 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.68 1wxl h ARG 62 Cb 1.54 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.07 1wxl h ARG 62 CO -0.06 0.08 -1.05 1.88 -1.51 0.00 0.00 179.97 179.32 1wxl h TYR 63 N 0.00 0.00 0.00 2.20 -1.99 -0.47 -3.25 116.97 113.46 1wxl h TYR 63 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1wxl h TYR 63 Cb 0.49 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.22 1wxl h TYR 63 CO 0.00 1.22 0.00 1.12 -0.00 0.00 0.00 178.16 180.50 1wxl h HIS 64 N -1.00 0.00 0.00 4.88 2.07 -1.50 3.34 115.15 122.94 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 1.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.13 1wxl h HIS 64 CO 0.06 0.00 -0.12 -3.47 -3.07 0.00 0.00 177.93 171.33 1wxl n ASP 65 N -2.83 0.72 0.00 3.10 2.03 -0.22 -2.68 116.55 116.66 1wxl n ASP 65 Ca -0.02 0.47 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1wxl n ASP 65 Cb 0.12 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 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 -2.15 0.00 -0.08 -0.67 -0.58 0.38 -4.25 120.64 113.29 1wxl n GLU 66 Ca 0.05 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.69 1wxl n GLU 66 Cb 0.42 -0.44 -0.04 0.00 -0.57 0.00 0.00 31.44 30.82 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 0.40 0.01 3.49 2.86 0.58 1.37 114.93 123.65 1wxl h MET 67 Ca 0.00 -0.09 -0.24 0.00 -2.06 0.00 0.00 59.70 57.32 1wxl h MET 67 Cb 0.66 -0.06 0.02 0.00 0.06 0.00 0.00 31.60 32.29 1wxl h MET 67 CO 0.00 0.47 -0.93 0.07 1.06 0.00 0.00 176.91 177.58 1wxl h ARG 68 N 0.25 0.61 -0.68 1.72 0.11 -1.39 -3.18 114.38 111.82 1wxl h ARG 68 Ca 0.08 -0.67 0.00 0.00 0.10 0.00 0.00 59.98 59.49 1wxl h ARG 68 Cb 0.24 0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.51 1wxl h ARG 68 CO -0.00 1.27 0.00 0.09 0.10 0.00 0.00 179.97 181.43 1wxl n ASN 69 N -3.96 2.80 -0.03 0.08 3.02 -1.09 -4.25 115.26 111.82 1wxl n ASN 69 Ca -0.11 -2.31 0.01 0.00 -0.03 0.00 0.00 54.58 52.14 1wxl n ASN 69 Cb 0.83 -0.49 0.32 0.00 -0.61 0.00 0.00 39.78 39.84 1wxl n ASN 69 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1wxl h TYR 70 N 1.87 0.60 0.35 3.10 -0.00 0.19 -1.36 116.97 121.72 1wxl h TYR 70 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.69 1wxl h TYR 70 Cb 0.98 -0.19 0.00 0.00 -0.00 0.00 0.00 36.73 37.52 1wxl h TYR 70 CO 0.43 0.49 -0.17 0.87 -0.00 0.00 0.00 178.16 179.78 1wxl h LYS 71 N 0.60 -0.45 0.00 0.10 1.57 -1.82 -3.40 116.57 113.17 1wxl h LYS 71 Ca 0.15 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1wxl h LYS 71 Cb 0.15 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1wxl h LYS 71 CO -0.01 -0.30 0.00 -0.35 -0.57 0.00 0.00 179.45 178.22 1wxl n PRO 72 N -4.27 0.00 0.01 3.15 -0.04 -1.21 -5.01 135.00 127.62 1wxl n PRO 72 Ca -0.06 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1wxl n PRO 72 Cb 0.18 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.65 0.00 0.00 0.54 4.07 -0.52 -5.15 120.64 117.93 1wxl n GLU 73 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1wxl n GLU 73 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07