#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 -1.36 -2.15 7.33 8.25 -1.26 -5.13 115.22 120.91 1wxl n HIS 3 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1wxl n HIS 3 Cb 0.00 0.32 0.01 0.00 1.12 0.00 0.00 29.99 31.43 1wxl n HIS 3 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1wxl s MET 4 N -1.63 3.48 -0.48 -0.41 -1.94 -1.26 -4.84 119.30 112.22 1wxl s MET 4 Ca 0.00 1.82 -0.43 0.00 -1.71 0.00 0.00 55.69 55.37 1wxl s MET 4 Cb 0.00 -2.24 -0.18 0.00 2.01 0.00 0.00 34.83 34.41 1wxl s MET 4 CO 0.00 -0.79 2.05 -2.30 -0.01 0.00 0.00 175.02 173.97 1wxl n PRO 5 N -0.87 0.14 0.00 2.03 -0.01 -1.26 -4.93 135.00 130.09 1wxl n PRO 5 Ca 0.09 0.04 0.00 0.00 -0.01 0.00 0.00 63.50 63.63 1wxl n PRO 5 Cb 0.48 -1.61 0.00 0.00 -0.01 0.00 0.00 33.50 32.36 1wxl n PRO 5 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 1wxl n LYS 6 N 6.99 2.66 -0.64 -0.52 5.02 -1.26 -4.82 118.16 125.59 1wxl n LYS 6 Ca 0.49 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.77 1wxl n LYS 6 Cb -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 34.99 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 -4.68 116.66 117.81 1wxl n ARG 7 Ca 0.00 -0.52 0.00 0.00 -1.93 0.00 0.00 57.85 55.40 1wxl n ARG 7 Cb 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 32.46 31.26 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 0.03 0.00 -2.37 7.54 0.00 -1.26 -4.48 120.51 119.97 1wxl n ALA 8 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 1wxl n ALA 8 Cb 0.62 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.13 2.35 0.59 0.00 2.01 -1.26 -4.95 115.64 112.25 1wxl s THR 9 Ca 0.00 -1.15 -0.17 0.00 0.31 0.00 0.00 61.69 60.67 1wxl s THR 9 Cb 0.00 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1wxl s THR 9 CO 0.00 0.48 1.11 0.42 -0.69 0.00 0.00 174.62 175.93 1wxl s THR 10 N -0.74 3.32 0.29 -0.82 -4.23 -1.26 -3.95 115.64 108.24 1wxl s THR 10 Ca 0.12 0.72 0.01 0.00 -1.18 0.00 0.00 61.69 61.36 1wxl s THR 10 Cb -0.10 -3.24 0.31 0.00 1.34 0.00 0.00 72.50 70.81 1wxl s THR 10 CO 0.01 -0.28 1.64 0.00 -0.54 0.00 0.00 174.62 175.46 1wxl h ALA 11 N 0.72 1.23 -0.13 3.99 0.00 -1.86 0.97 119.26 124.17 1wxl h ALA 11 Ca -0.48 0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1wxl h ALA 11 Cb 1.25 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1wxl h ALA 11 CO 0.56 -0.47 -0.39 0.35 0.00 0.00 0.00 179.25 179.30 1wxl h PHE 12 N 0.19 0.34 0.13 0.00 3.04 -1.93 -2.50 116.94 116.22 1wxl h PHE 12 Ca 0.54 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 62.40 1wxl h PHE 12 Cb 1.09 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.52 1wxl h PHE 12 CO -0.29 0.65 -0.06 0.52 -2.02 0.00 0.00 178.31 177.11 1wxl h MET 13 N 0.25 -0.17 -0.77 1.11 2.86 0.32 -0.66 114.93 117.86 1wxl h MET 13 Ca 0.02 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.87 1wxl h MET 13 Cb 0.81 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 1wxl h MET 13 CO 0.06 -0.12 0.53 1.37 1.06 0.00 0.00 176.91 179.82 1wxl h LEU 14 N -0.97 0.18 0.13 1.22 -0.00 -0.06 0.72 115.31 116.53 1wxl h LEU 14 Ca -0.02 0.01 -0.22 0.00 -0.00 0.00 0.00 57.88 57.65 1wxl h LEU 14 Cb 0.14 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 40.79 1wxl h LEU 14 CO 0.03 0.08 -1.06 -0.25 -0.00 0.00 0.00 178.44 177.24 1wxl h TRP 15 N 0.18 0.49 0.00 0.17 7.01 -1.55 -3.04 115.95 119.22 1wxl h TRP 15 Ca 0.38 -0.36 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1wxl h TRP 15 Cb 1.21 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.25 1wxl h TRP 15 CO -0.00 1.41 0.00 1.25 -2.79 0.00 0.00 178.44 178.31 1wxl h LEU 16 N -0.36 0.00 0.14 0.65 5.85 0.21 1.20 115.31 123.01 1wxl h LEU 16 Ca -0.21 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1wxl h LEU 16 Cb 1.68 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.71 1wxl h LEU 16 CO 0.11 0.00 -0.07 -1.13 -0.34 0.00 0.00 178.44 177.01 1wxl h ASN 17 N 0.00 -0.16 0.94 1.25 -0.73 0.44 1.97 115.58 119.28 1wxl h ASN 17 Ca 0.00 -0.38 -0.16 0.00 1.87 0.00 0.00 56.30 57.63 1wxl h ASN 17 Cb 0.05 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 1wxl h ASN 17 CO 0.00 0.37 -0.74 0.44 -0.37 0.00 0.00 177.43 177.13 1wxl h ASP 18 N -0.79 0.00 0.00 1.15 5.19 -1.18 -3.23 116.42 117.56 1wxl h ASP 18 Ca -0.02 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.13 1wxl h ASP 18 Cb 0.54 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.00 1wxl h ASP 18 CO 0.03 0.74 -2.16 0.41 -3.12 0.00 0.00 179.24 175.14 1wxl n THR 19 N -3.49 0.97 -0.05 0.35 -1.04 0.40 -3.91 114.28 107.51 1wxl n THR 19 Ca -0.00 -0.70 0.05 0.00 -2.04 0.00 0.00 64.05 61.37 1wxl n THR 19 Cb 0.76 -0.39 0.41 0.00 -1.82 0.00 0.00 70.33 69.29 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 0.58 -0.71 -2.82 0.11 0.31 1.36 114.38 113.20 1wxl h ARG 20 Ca -0.38 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 59.63 1wxl h ARG 20 Cb 1.85 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 32.76 1wxl h ARG 20 CO 0.02 0.38 0.32 1.49 0.10 0.00 0.00 179.97 182.29 1wxl h GLU 21 N 0.60 1.04 0.00 0.08 4.81 -1.65 -0.10 114.58 119.35 1wxl h GLU 21 Ca 0.20 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1wxl h GLU 21 Cb 0.06 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1wxl h GLU 21 CO -0.05 0.83 0.00 0.77 -0.73 0.00 0.00 179.01 179.83 1wxl h SER 22 N 1.01 0.00 0.16 1.04 0.02 0.14 -2.64 113.55 113.28 1wxl h SER 22 Ca 0.24 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.88 1wxl h SER 22 Cb 0.15 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.70 1wxl h SER 22 CO -0.03 0.00 -1.53 0.40 -1.14 0.00 0.00 176.83 174.53 1wxl h ILE 23 N 0.00 1.04 -0.30 3.27 2.04 0.18 -2.87 117.51 120.88 1wxl h ILE 23 Ca 0.00 -2.49 -0.04 0.00 1.00 0.00 0.00 64.86 63.33 1wxl h ILE 23 Cb 0.22 2.81 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 1wxl h ILE 23 CO 0.00 0.79 0.00 0.11 0.00 0.00 0.00 178.15 179.05 1wxl h LYS 24 N -0.08 0.45 -0.17 2.37 1.79 -0.98 0.91 116.57 120.87 1wxl h LYS 24 Ca -0.31 -0.09 -0.10 0.00 -2.18 0.00 0.00 60.65 57.97 1wxl h LYS 24 Cb 1.95 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.53 1wxl h LYS 24 CO 0.14 0.48 -0.29 0.00 -1.08 0.00 0.00 179.45 178.70 1wxl h ARG 25 N 0.44 0.49 0.00 3.15 -0.00 -1.63 0.72 114.38 117.56 1wxl h ARG 25 Ca 0.10 -0.31 0.00 0.00 -0.50 0.00 0.00 59.98 59.27 1wxl h ARG 25 Cb 0.29 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.29 1wxl h ARG 25 CO 0.01 0.91 0.00 0.93 0.00 0.00 0.00 179.97 181.82 1wxl h GLU 26 N 0.13 0.00 -1.44 0.04 5.08 -1.17 -3.27 114.58 113.96 1wxl h GLU 26 Ca 0.01 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.91 1wxl h GLU 26 Cb 0.88 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.81 1wxl h GLU 26 CO 0.07 0.00 -0.94 0.09 -1.00 0.00 0.00 179.01 177.22 1wxl n ASN 27 N -2.32 -0.63 -1.96 1.42 3.02 0.31 -5.01 115.26 110.09 1wxl n ASN 27 Ca 0.02 -2.90 -0.02 0.00 -0.03 0.00 0.00 54.58 51.66 1wxl n ASN 27 Cb 0.23 0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 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 1.37 0.54 -0.35 3.52 -0.02 0.25 -2.31 135.00 137.99 1wxl n PRO 28 Ca 0.18 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1wxl n PRO 28 Cb 0.57 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 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 2.12 0.80 0.00 -1.23 0.00 -1.26 -5.07 105.19 100.55 1wxl n GLY 29 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.69 -0.61 -5.35 -0.98 -5.14 119.36 103.60 1wxl n ILE 30 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 1wxl n ILE 30 Cb 0.40 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.22 1wxl n ILE 30 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1wxl s LYS 31 N 2.90 0.78 0.38 6.28 -0.14 -1.26 -4.98 119.74 123.69 1wxl s LYS 31 Ca 0.00 -0.04 0.29 0.00 -1.36 0.00 0.00 55.97 54.86 1wxl s LYS 31 Cb 0.00 0.35 1.27 0.00 -1.68 0.00 0.00 37.83 37.77 1wxl s LYS 31 CO 0.00 -0.22 1.29 1.55 -0.76 0.00 0.00 175.35 177.21 1wxl n VAL 32 N 1.20 -0.18 0.07 3.17 3.14 -1.26 0.22 118.33 124.69 1wxl n VAL 32 Ca -0.21 1.46 -0.01 0.00 -2.96 0.00 0.00 64.34 62.62 1wxl n VAL 32 Cb 0.56 -2.39 -0.06 0.00 -1.06 0.00 0.00 33.84 30.89 1wxl n VAL 32 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wxl h THR 33 N 0.00 0.86 0.00 1.55 1.03 -1.99 -3.21 112.91 111.15 1wxl h THR 33 Ca 0.74 -2.37 -0.19 0.00 -0.01 0.00 0.00 66.41 64.57 1wxl h THR 33 Cb 2.47 2.34 -0.01 0.00 -1.07 0.00 0.00 68.15 71.88 1wxl h THR 33 CO -0.33 0.49 -0.86 -0.08 -0.01 0.00 0.00 175.52 174.73 1wxl h GLU 34 N 0.00 0.16 -0.67 0.00 4.57 0.23 -2.32 114.58 116.55 1wxl h GLU 34 Ca -0.09 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 1wxl h GLU 34 Cb 1.58 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 30.19 1wxl h GLU 34 CO 0.07 0.92 0.34 0.82 -1.18 0.00 0.00 179.01 179.98 1wxl h ILE 35 N 0.09 1.21 0.00 2.32 2.04 -1.14 0.31 117.51 122.34 1wxl h ILE 35 Ca -0.04 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 1wxl h ILE 35 Cb 1.48 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1wxl h ILE 35 CO 0.13 0.24 -0.00 0.00 0.00 0.00 0.00 178.15 178.52 1wxl h ALA 36 N 1.43 1.00 0.00 1.87 0.00 -1.52 -2.32 119.26 119.72 1wxl h ALA 36 Ca 0.24 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1wxl h ALA 36 Cb 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1wxl h ALA 36 CO -0.03 0.00 -1.06 1.63 0.00 0.00 0.00 179.25 179.79 1wxl n LYS 37 N -3.10 0.52 -0.02 0.00 4.76 -0.64 -3.87 118.16 115.82 1wxl n LYS 37 Ca 0.04 0.53 -0.10 0.00 -2.87 0.00 0.00 58.31 55.91 1wxl n LYS 37 Cb 0.52 -1.70 -0.04 0.00 -1.84 0.00 0.00 35.03 31.97 1wxl n LYS 37 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1wxl h LYS 38 N -1.00 0.09 -0.83 1.97 1.63 -0.57 -2.47 116.57 115.39 1wxl h LYS 38 Ca -0.23 -0.01 0.17 0.00 -0.85 0.00 0.00 60.65 59.73 1wxl h LYS 38 Cb 1.02 -0.02 -0.16 0.00 -0.60 0.00 0.00 32.23 32.48 1wxl h LYS 38 CO -0.14 0.06 -0.18 0.78 -3.45 0.00 0.00 179.45 176.52 1wxl h GLY 39 N 0.09 0.64 0.49 5.01 0.00 -1.57 0.41 103.07 108.14 1wxl h GLY 39 Ca 0.06 0.26 0.12 0.00 0.00 0.00 0.00 47.33 47.76 1wxl h GLY 39 CO -0.08 -0.32 0.63 -1.33 0.00 0.00 0.00 176.54 175.44 1wxl h GLY 40 N 0.01 1.64 0.60 4.60 0.00 -1.55 0.48 103.07 108.84 1wxl h GLY 40 Ca 0.41 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.36 1wxl h GLY 40 CO -0.84 0.17 0.11 1.05 0.00 0.00 0.00 176.54 177.03 1wxl h GLU 41 N 1.01 0.25 0.05 4.80 4.11 -0.06 0.20 114.58 124.94 1wxl h GLU 41 Ca 0.49 -0.01 -0.24 0.00 0.07 0.00 0.00 59.36 59.67 1wxl h GLU 41 Cb 0.47 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1wxl h GLU 41 CO -0.26 0.16 -1.04 0.00 0.07 0.00 0.00 179.01 177.95 1wxl h MET 42 N 0.26 0.34 0.11 1.06 -0.00 -1.11 -3.34 114.93 112.25 1wxl h MET 42 Ca 0.18 -0.43 -0.01 0.00 -0.00 0.00 0.00 59.70 59.45 1wxl h MET 42 Cb 0.19 0.14 0.00 0.00 -0.00 0.00 0.00 31.60 31.92 1wxl h MET 42 CO -0.21 1.13 -0.05 2.35 -0.00 0.00 0.00 176.91 180.13 1wxl h TRP 43 N 0.17 -0.13 -1.78 -0.10 2.91 0.30 -1.44 115.95 115.86 1wxl h TRP 43 Ca -0.10 -0.00 0.52 0.00 1.13 0.00 0.00 58.89 60.44 1wxl h TRP 43 Cb 1.70 0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 30.33 1wxl h TRP 43 CO 0.06 0.10 1.30 1.63 -1.03 0.00 0.00 178.44 180.51 1wxl n LYS 44 N -5.05 0.00 -0.21 2.65 5.02 0.67 -0.36 118.16 120.87 1wxl n LYS 44 Ca -0.08 0.99 0.02 0.00 -2.02 0.00 0.00 58.31 57.22 1wxl n LYS 44 Cb 0.17 -2.29 0.03 0.00 -0.02 0.00 0.00 35.03 32.92 1wxl n LYS 44 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wxl n GLU 45 N -3.73 0.72 -2.39 1.97 1.02 -1.18 -5.09 120.64 111.96 1wxl n GLU 45 Ca 0.40 -1.32 -0.32 0.00 -0.02 0.00 0.00 57.16 55.90 1wxl n GLU 45 Cb 1.84 -0.80 -0.03 0.00 -0.02 0.00 0.00 31.44 32.42 1wxl n GLU 45 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1wxl s LEU 46 N -0.80 3.63 0.00 -4.62 2.34 0.51 -4.97 118.68 114.76 1wxl s LEU 46 Ca 0.07 1.58 0.19 0.00 0.06 0.00 0.00 54.13 56.04 1wxl s LEU 46 Cb 0.06 -4.51 0.53 0.00 -0.56 0.00 0.00 46.19 41.72 1wxl s LEU 46 CO 0.01 -0.60 1.44 1.17 -1.06 0.00 0.00 176.35 177.30 1wxl n LYS 47 N -1.58 2.16 0.01 1.48 4.81 -1.26 -3.60 118.16 120.18 1wxl n LYS 47 Ca 0.07 -1.77 0.11 0.00 -0.87 0.00 0.00 58.31 55.85 1wxl n LYS 47 Cb 0.54 -1.43 0.04 0.00 0.02 0.00 0.00 35.03 34.20 1wxl n LYS 47 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1wxl n ASP 48 N 0.96 0.71 0.19 3.14 9.92 -1.26 -3.90 116.55 126.31 1wxl n ASP 48 Ca 0.18 -0.52 0.10 0.00 -0.53 0.00 0.00 54.79 54.02 1wxl n ASP 48 Cb 0.45 0.71 0.13 0.00 -0.64 0.00 0.00 41.12 41.78 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 -0.12 -1.24 3.11 -1.88 1.05 116.57 117.49 1wxl h LYS 49 Ca 0.00 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.69 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 0.09 -0.57 1.03 -2.81 0.00 0.00 179.45 177.19 1wxl h SER 50 N 0.00 0.40 0.56 4.20 0.87 -1.78 1.09 113.55 118.89 1wxl h SER 50 Ca -0.00 -0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.23 1wxl h SER 50 Cb 1.08 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1wxl h SER 50 CO 0.01 0.88 -1.52 1.17 -0.53 0.00 0.00 176.83 176.84 1wxl n LYS 51 N -3.92 0.63 -0.04 2.24 4.81 -1.13 -4.06 118.16 116.69 1wxl n LYS 51 Ca -0.03 0.08 -0.16 0.00 -0.87 0.00 0.00 58.31 57.33 1wxl n LYS 51 Cb 0.60 -1.72 -0.14 0.00 0.02 0.00 0.00 35.03 33.79 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 -2.69 0.76 0.24 5.64 5.03 0.36 -4.10 117.44 122.68 1wxl n TRP 52 Ca -0.08 0.19 0.09 0.00 3.03 0.00 0.00 57.50 60.74 1wxl n TRP 52 Cb 0.74 -1.11 0.65 0.00 -1.03 0.00 0.00 31.31 30.56 1wxl n TRP 52 CO 0.00 0.00 0.00 1.05 -0.03 0.00 0.00 177.69 178.71 1wxl h GLU 53 N 0.03 0.00 0.00 -0.99 -0.00 0.11 0.98 114.58 114.70 1wxl h GLU 53 Ca -0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 58.83 1wxl h GLU 53 Cb 2.03 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.76 1wxl h GLU 53 CO 0.04 0.00 -0.39 0.38 -0.00 0.00 0.00 179.01 179.04 1wxl h ASP 54 N 0.00 0.00 -0.69 3.06 3.04 -1.71 -2.05 116.42 118.07 1wxl h ASP 54 Ca 0.02 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.76 1wxl h ASP 54 Cb 0.10 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.36 1wxl h ASP 54 CO -0.00 0.39 0.23 0.00 -2.04 0.00 0.00 179.24 177.82 1wxl h ALA 55 N 1.61 0.90 -0.25 4.15 0.00 -0.96 0.36 119.26 125.07 1wxl h ALA 55 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1wxl h ALA 55 Cb 0.75 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1wxl h ALA 55 CO 0.05 0.56 0.13 0.00 0.00 0.00 0.00 179.25 179.99 1wxl h ALA 56 N 1.10 0.32 -0.02 0.00 0.00 -1.23 0.86 119.26 120.30 1wxl h ALA 56 Ca 0.22 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1wxl h ALA 56 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wxl h ALA 56 CO -0.01 -0.13 -0.79 0.00 0.00 0.00 0.00 179.25 178.31 1wxl h ALA 57 N 1.00 0.62 -0.05 0.00 0.00 -1.26 -0.40 119.26 119.17 1wxl h ALA 57 Ca 0.09 -0.67 -0.23 0.00 0.00 0.00 0.00 54.91 54.10 1wxl h ALA 57 Cb 0.09 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1wxl h ALA 57 CO -0.01 0.86 -0.89 1.57 0.00 0.00 0.00 179.25 180.77 1wxl h LYS 58 N 0.13 0.56 0.00 0.00 2.10 -0.12 -2.97 116.57 116.26 1wxl h LYS 58 Ca -0.03 -0.54 -0.18 0.00 -2.00 0.00 0.00 60.65 57.90 1wxl h LYS 58 Cb 1.38 0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 32.83 1wxl h LYS 58 CO 0.12 1.16 -0.83 0.22 -2.00 0.00 0.00 179.45 178.12 1wxl h ASP 59 N 0.34 0.12 -0.18 7.07 3.58 0.76 0.16 116.42 128.28 1wxl h ASP 59 Ca -0.08 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 1wxl h ASP 59 Cb 1.52 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.52 1wxl h ASP 59 CO 0.17 0.90 0.05 0.07 -2.88 0.00 0.00 179.24 177.54 1wxl h LYS 60 N 0.05 0.37 0.04 0.28 2.10 -1.05 0.26 116.57 118.62 1wxl h LYS 60 Ca -0.02 -0.05 -0.21 0.00 -2.00 0.00 0.00 60.65 58.36 1wxl h LYS 60 Cb 1.46 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.70 1wxl h LYS 60 CO 0.12 0.36 -1.12 1.96 -2.00 0.00 0.00 179.45 178.77 1wxl h GLN 61 N 0.37 0.09 0.00 0.07 1.08 -1.36 -2.47 115.11 112.90 1wxl h GLN 61 Ca 0.09 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1wxl h GLN 61 Cb 0.17 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1wxl h GLN 61 CO -0.00 1.07 -0.05 -0.09 -0.95 0.00 0.00 178.83 178.81 1wxl h ARG 62 N -0.72 0.00 0.01 1.46 2.43 -0.59 0.10 114.38 117.07 1wxl h ARG 62 Ca -0.28 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.64 1wxl h ARG 62 Cb 1.43 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.95 1wxl h ARG 62 CO -0.07 0.05 -1.37 0.66 -1.51 0.00 0.00 179.97 177.73 1wxl n TYR 63 N -3.22 0.97 0.30 2.20 4.02 0.90 -3.28 117.16 119.05 1wxl n TYR 63 Ca -0.01 0.41 0.18 0.00 -0.01 0.00 0.00 57.90 58.48 1wxl n TYR 63 Cb 0.27 -1.10 0.89 0.00 -0.02 0.00 0.00 39.34 39.38 1wxl n TYR 63 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 176.86 176.97 1wxl h HIS 64 N -0.95 0.00 0.00 -0.72 2.07 -1.43 2.10 115.15 116.22 1wxl h HIS 64 Ca -0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.15 1wxl h HIS 64 Cb 1.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.34 1wxl h HIS 64 CO 0.09 0.00 -0.22 -0.25 -3.07 0.00 0.00 177.93 174.47 1wxl n ASP 65 N -2.88 0.51 0.00 3.10 8.00 0.34 -3.81 116.55 121.81 1wxl n ASP 65 Ca -0.01 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1wxl n ASP 65 Cb 0.16 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1wxl n ASP 65 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1wxl n GLU 66 N -1.89 0.00 -0.30 -1.24 0.28 -0.03 -4.52 120.64 112.94 1wxl n GLU 66 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1wxl n GLU 66 Cb 0.39 -0.45 0.13 0.00 1.43 0.00 0.00 31.44 32.95 1wxl n GLU 66 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1wxl h MET 67 N 0.00 0.93 0.05 3.44 2.86 0.31 1.73 114.93 124.25 1wxl h MET 67 Ca 0.00 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1wxl h MET 67 Cb 0.29 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1wxl h MET 67 CO 0.00 0.61 -0.02 0.00 1.06 0.00 0.00 176.91 178.56 1wxl h ARG 68 N 0.96 -0.06 -0.76 1.72 3.08 -1.65 -3.33 114.38 114.34 1wxl h ARG 68 Ca 0.37 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.37 1wxl h ARG 68 Cb 0.16 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1wxl h ARG 68 CO -0.17 0.57 0.06 0.27 -1.07 0.00 0.00 179.97 179.63 1wxl n ASN 69 N -4.76 4.10 -4.46 7.04 0.23 -1.16 -4.97 115.26 111.28 1wxl n ASN 69 Ca -0.08 -2.69 -0.57 0.00 -0.53 0.00 0.00 54.58 50.71 1wxl n ASN 69 Cb 0.32 -0.64 -0.09 0.00 -2.08 0.00 0.00 39.78 37.29 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 0.27 1.55 -2.73 -2.53 4.11 0.59 -4.83 117.16 113.59 1wxl n TYR 70 Ca 0.22 0.60 -0.07 0.00 -0.00 0.00 0.00 57.90 58.65 1wxl n TYR 70 Cb 0.95 -2.40 0.05 0.00 -0.00 0.00 0.00 39.34 37.95 1wxl n TYR 70 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1wxl n LYS 71 N 6.93 0.57 0.13 -3.48 4.01 -1.26 -5.01 118.16 120.05 1wxl n LYS 71 Ca 0.42 -1.44 -0.15 0.00 -0.51 0.00 0.00 58.31 56.63 1wxl n LYS 71 Cb 0.08 -1.09 -0.08 0.00 -0.51 0.00 0.00 35.03 33.42 1wxl n LYS 71 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 1wxl h PRO 72 N 3.83 -0.69 -0.24 1.97 0.11 -1.98 -3.35 132.00 131.65 1wxl h PRO 72 Ca -0.16 0.05 -0.21 0.00 0.11 0.00 0.00 66.00 65.79 1wxl h PRO 72 Cb 1.09 0.16 -0.37 0.00 0.11 0.00 0.00 31.00 31.98 1wxl h PRO 72 CO 0.16 -0.46 -1.02 0.39 -0.21 0.00 0.00 178.00 176.86 1wxl n GLU 73 N -5.48 1.02 -0.51 1.05 -0.58 -1.26 -5.34 120.64 109.55 1wxl n GLU 73 Ca -0.08 -2.76 0.00 0.00 -0.42 0.00 0.00 57.16 53.90 1wxl n GLU 73 Cb 0.40 -0.85 0.00 0.00 -0.57 0.00 0.00 31.44 30.42 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65