#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 1.80 0.62 7.33 3.76 -1.26 -4.88 115.29 122.66 1wxl s HIS 3 Ca 0.00 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 55.71 1wxl s HIS 3 Cb 0.00 -3.39 0.00 0.00 1.11 0.00 0.00 32.58 30.30 1wxl s HIS 3 CO 0.00 -3.00 0.00 -1.33 -0.85 0.00 0.00 174.74 169.56 1wxl n MET 4 N -4.20 -3.56 -1.78 1.40 2.00 -1.26 -4.91 117.12 104.80 1wxl n MET 4 Ca 0.08 2.87 -0.31 0.00 0.00 0.00 0.00 57.70 60.34 1wxl n MET 4 Cb 0.58 -3.94 0.04 0.00 0.00 0.00 0.00 33.22 29.90 1wxl n MET 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1wxl s PRO 5 N -4.63 3.12 -0.09 0.03 0.04 -1.26 -5.00 135.00 127.21 1wxl s PRO 5 Ca 0.00 0.70 0.14 0.00 0.04 0.00 0.00 61.00 61.88 1wxl s PRO 5 Cb 0.00 -2.03 0.21 0.00 0.04 0.00 0.00 34.50 32.72 1wxl s PRO 5 CO 0.00 -0.90 1.10 0.36 0.04 0.00 0.00 177.00 177.60 1wxl n LYS 6 N -2.96 1.25 -2.86 4.56 2.85 -1.26 -4.98 118.16 114.76 1wxl n LYS 6 Ca 0.07 -2.19 -0.11 0.00 -1.05 0.00 0.00 58.31 55.03 1wxl n LYS 6 Cb 0.55 -1.28 -0.02 0.00 -0.65 0.00 0.00 35.03 33.63 1wxl n LYS 6 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wxl n ARG 7 N -1.10 -2.25 0.00 -1.58 3.00 -1.26 -4.53 116.66 108.94 1wxl n ARG 7 Ca 0.12 0.03 0.00 0.00 -0.01 0.00 0.00 57.85 57.99 1wxl n ARG 7 Cb 0.60 -4.15 0.00 0.00 0.00 0.00 0.00 32.46 28.91 1wxl n ARG 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wxl n ALA 8 N -2.68 0.00 -2.63 7.54 0.00 -1.26 -4.52 120.51 116.96 1wxl n ALA 8 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.30 1wxl n ALA 8 Cb 0.44 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.17 1.11 0.63 0.00 2.01 -1.26 -4.96 115.64 112.00 1wxl s THR 9 Ca 0.00 -1.43 -0.14 0.00 0.31 0.00 0.00 61.69 60.43 1wxl s THR 9 Cb 0.00 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1wxl s THR 9 CO 0.00 -0.32 1.06 0.42 -0.69 0.00 0.00 174.62 175.09 1wxl s THR 10 N -1.63 3.86 0.30 -0.82 -4.23 -1.26 -4.09 115.64 107.77 1wxl s THR 10 Ca 0.01 0.79 0.06 0.00 -1.18 0.00 0.00 61.69 61.37 1wxl s THR 10 Cb -0.08 -3.37 0.31 0.00 1.34 0.00 0.00 72.50 70.70 1wxl s THR 10 CO 0.02 -0.61 1.68 0.00 -0.54 0.00 0.00 174.62 175.17 1wxl h ALA 11 N 0.05 1.54 -0.03 3.99 0.00 -1.88 0.50 119.26 123.43 1wxl h ALA 11 Ca -0.46 0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.42 1wxl h ALA 11 Cb 1.22 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1wxl h ALA 11 CO 0.57 -0.42 -0.87 0.35 0.00 0.00 0.00 179.25 178.88 1wxl h PHE 12 N 0.35 0.64 -0.00 0.00 3.57 -1.94 -2.85 116.94 116.70 1wxl h PHE 12 Ca 0.60 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1wxl h PHE 12 Cb 1.23 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1wxl h PHE 12 CO -0.13 1.13 -0.26 -1.33 -2.23 0.00 0.00 178.31 175.49 1wxl n MET 13 N -3.79 0.53 -0.08 1.11 2.81 0.39 -1.75 117.12 116.34 1wxl n MET 13 Ca -0.06 -0.27 -0.11 0.00 -1.81 0.00 0.00 57.70 55.45 1wxl n MET 13 Cb 0.79 -1.49 -0.15 0.00 -0.71 0.00 0.00 33.22 31.66 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 -1.00 0.75 0.10 4.03 -0.00 0.15 -3.70 117.00 117.33 1wxl n LEU 14 Ca 0.11 0.08 -0.22 0.00 -0.00 0.00 0.00 56.01 55.98 1wxl n LEU 14 Cb 0.32 0.14 -0.15 0.00 -0.00 0.00 0.00 43.42 43.74 1wxl n LEU 14 CO 0.28 0.56 -0.08 -0.25 -0.00 0.00 0.00 177.39 177.89 1wxl h TRP 15 N 0.00 0.84 0.00 1.47 7.01 -1.58 -2.91 115.95 120.79 1wxl h TRP 15 Ca -0.49 -0.58 -0.00 0.00 2.11 0.00 0.00 58.89 59.93 1wxl h TRP 15 Cb 2.14 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 29.15 1wxl h TRP 15 CO 0.01 1.44 -0.00 1.25 -2.79 0.00 0.00 178.44 178.35 1wxl h LEU 16 N 0.00 0.00 0.06 0.65 5.85 -1.53 1.83 115.31 122.17 1wxl h LEU 16 Ca -0.20 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1wxl h LEU 16 Cb 1.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1wxl h LEU 16 CO 0.22 0.00 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.17 1wxl h ASN 17 N 0.00 -0.07 1.35 1.25 -0.73 -1.60 5.47 115.58 121.25 1wxl h ASN 17 Ca -0.00 -0.50 -0.07 0.00 1.87 0.00 0.00 56.30 57.60 1wxl h ASN 17 Cb 0.04 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 1wxl h ASN 17 CO 0.00 0.49 -0.34 -0.78 -0.37 0.00 0.00 177.43 176.44 1wxl h ASP 18 N -0.66 0.00 0.00 1.15 3.58 -1.04 -3.21 116.42 116.24 1wxl h ASP 18 Ca -0.01 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.32 1wxl h ASP 18 Cb 0.56 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 1wxl h ASP 18 CO 0.01 0.34 -1.97 0.41 -2.88 0.00 0.00 179.24 175.15 1wxl n THR 19 N -3.27 0.44 -0.32 2.25 -1.04 0.61 -4.02 114.28 108.93 1wxl n THR 19 Ca 0.02 -0.54 0.08 0.00 -2.04 0.00 0.00 64.05 61.56 1wxl n THR 19 Cb 0.60 -0.15 0.28 0.00 -1.82 0.00 0.00 70.33 69.23 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 0.89 -0.72 -2.82 2.43 1.11 1.65 114.38 116.92 1wxl h ARG 20 Ca -0.17 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 1wxl h ARG 20 Cb 1.30 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 1wxl h ARG 20 CO 0.01 0.59 0.23 1.05 -1.51 0.00 0.00 179.97 180.34 1wxl h GLU 21 N 0.92 1.11 0.00 0.20 4.11 -1.70 -1.83 114.58 117.39 1wxl h GLU 21 Ca 0.45 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1wxl h GLU 21 Cb 0.47 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1wxl h GLU 21 CO -0.21 0.95 0.00 1.03 0.07 0.00 0.00 179.01 180.84 1wxl h SER 22 N 1.07 0.00 0.15 3.06 0.87 0.19 -2.90 113.55 115.99 1wxl h SER 22 Ca 0.23 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.51 1wxl h SER 22 Cb 0.29 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1wxl h SER 22 CO -0.01 0.00 -1.42 0.40 -0.53 0.00 0.00 176.83 175.27 1wxl h ILE 23 N 0.00 1.10 0.00 2.23 2.04 0.12 -2.65 117.51 120.36 1wxl h ILE 23 Ca 0.00 -2.48 -0.08 0.00 1.00 0.00 0.00 64.86 63.30 1wxl h ILE 23 Cb 0.44 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 1wxl h ILE 23 CO 0.00 0.76 -0.38 0.50 0.00 0.00 0.00 178.15 179.03 1wxl h LYS 24 N -0.16 0.00 -0.21 2.37 1.63 -1.39 0.59 116.57 119.40 1wxl h LYS 24 Ca -0.29 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.41 1wxl h LYS 24 Cb 1.87 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.50 1wxl h LYS 24 CO 0.13 0.38 -0.30 0.07 -3.45 0.00 0.00 179.45 176.28 1wxl h ARG 25 N 0.00 0.57 0.00 1.90 0.11 -1.61 1.25 114.38 116.60 1wxl h ARG 25 Ca -0.00 -0.33 0.00 0.00 0.10 0.00 0.00 59.98 59.74 1wxl h ARG 25 Cb 0.68 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1wxl h ARG 25 CO 0.05 0.94 0.00 0.39 0.10 0.00 0.00 179.97 181.45 1wxl n GLU 26 N -4.33 0.20 -2.90 0.08 -0.58 -0.89 -3.97 120.64 108.25 1wxl n GLU 26 Ca -0.05 0.41 -0.10 0.00 -0.42 0.00 0.00 57.16 57.00 1wxl n GLU 26 Cb 0.47 -1.87 -0.01 0.00 -0.57 0.00 0.00 31.44 29.46 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 -2.24 -2.58 -0.16 1.62 3.02 0.20 -5.00 115.26 110.12 1wxl n ASN 27 Ca 0.02 -2.88 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 1wxl n ASN 27 Cb 0.24 1.20 0.00 0.00 -0.61 0.00 0.00 39.78 40.61 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 2.57 0.69 -0.56 3.52 -0.02 0.42 -2.77 135.00 138.85 1wxl n PRO 28 Ca 0.19 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.73 1wxl n PRO 28 Cb 0.56 -1.11 0.12 0.00 -0.02 0.00 0.00 33.50 33.05 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 0.18 3.67 0.00 -1.23 0.00 -1.26 -5.05 105.19 101.50 1wxl n GLY 29 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.79 0.00 -3.77 -0.61 -5.35 -1.11 -5.15 119.36 102.58 1wxl n ILE 30 Ca 0.13 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.48 1wxl n ILE 30 Cb 0.75 -0.25 -0.08 0.00 -1.74 0.00 0.00 39.64 38.32 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 3.51 0.69 0.26 6.28 -0.14 -1.26 -5.00 119.74 124.07 1wxl s LYS 31 Ca 0.00 -0.30 0.19 0.00 -1.36 0.00 0.00 55.97 54.50 1wxl s LYS 31 Cb 0.00 0.30 0.88 0.00 -1.68 0.00 0.00 37.83 37.33 1wxl s LYS 31 CO 0.00 -0.20 0.92 1.55 -0.76 0.00 0.00 175.35 176.87 1wxl n VAL 32 N 1.10 -0.16 0.31 3.17 3.14 -1.26 0.25 118.33 124.89 1wxl n VAL 32 Ca -0.21 1.07 0.12 0.00 -2.96 0.00 0.00 64.34 62.37 1wxl n VAL 32 Cb 0.57 -1.76 0.14 0.00 -1.06 0.00 0.00 33.84 31.73 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 0.00 0.11 1.55 1.03 -2.00 -3.29 112.91 110.31 1wxl h THR 33 Ca 0.52 -0.82 -0.27 0.00 -0.01 0.00 0.00 66.41 65.83 1wxl h THR 33 Cb 1.66 1.56 0.01 0.00 -1.07 0.00 0.00 68.15 70.31 1wxl h THR 33 CO -0.29 0.00 -1.20 -0.08 -0.01 0.00 0.00 175.52 173.94 1wxl h GLU 34 N 0.00 0.30 -0.44 0.00 4.81 0.30 -2.60 114.58 116.94 1wxl h GLU 34 Ca 0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1wxl h GLU 34 Cb 0.91 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1wxl h GLU 34 CO 0.00 1.21 0.28 0.82 -0.73 0.00 0.00 179.01 180.59 1wxl h ILE 35 N 0.10 1.12 0.00 2.32 2.04 -1.56 0.28 117.51 121.82 1wxl h ILE 35 Ca -0.13 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 1wxl h ILE 35 Cb 1.91 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1wxl h ILE 35 CO 0.20 0.12 -0.61 0.00 0.00 0.00 0.00 178.15 177.85 1wxl h ALA 36 N 1.71 0.69 0.01 1.87 0.00 -1.61 -2.53 119.26 119.40 1wxl h ALA 36 Ca 0.16 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1wxl h ALA 36 Cb -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1wxl h ALA 36 CO -0.03 0.58 -0.70 -0.22 0.00 0.00 0.00 179.25 178.88 1wxl h LYS 37 N 0.00 0.02 0.41 0.00 3.64 -0.88 -3.31 116.57 116.44 1wxl h LYS 37 Ca -0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1wxl h LYS 37 Cb 1.36 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1wxl h LYS 37 CO 0.05 1.01 -0.20 0.87 -2.27 0.00 0.00 179.45 178.92 1wxl h LYS 38 N -0.95 -0.53 -0.98 1.90 1.79 -0.63 -2.64 116.57 114.53 1wxl h LYS 38 Ca -0.19 0.04 0.38 0.00 -2.18 0.00 0.00 60.65 58.70 1wxl h LYS 38 Cb 1.20 0.12 -0.18 0.00 -1.58 0.00 0.00 32.23 31.79 1wxl h LYS 38 CO -0.10 -0.24 0.40 0.41 -1.08 0.00 0.00 179.45 178.84 1wxl n GLY 39 N -0.72 -0.88 0.18 3.86 0.00 -0.95 0.20 105.19 106.87 1wxl n GLY 39 Ca -0.11 0.84 -0.05 0.00 0.00 0.00 0.00 46.02 46.70 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 0.53 0.50 -0.02 0.00 -1.56 0.89 103.07 103.40 1wxl h GLY 40 Ca 0.77 -0.07 0.05 0.00 0.00 0.00 0.00 47.33 48.09 1wxl h GLY 40 CO -0.80 0.01 -0.07 1.05 0.00 0.00 0.00 176.54 176.73 1wxl h GLU 41 N 0.29 -0.01 -0.12 4.80 4.11 0.24 0.19 114.58 124.07 1wxl h GLU 41 Ca 0.20 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.40 1wxl h GLU 41 Cb 0.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1wxl h GLU 41 CO -0.22 -0.01 -0.81 0.00 0.07 0.00 0.00 179.01 178.05 1wxl h MET 42 N -0.01 0.73 -0.14 1.06 -0.00 -1.03 -3.31 114.93 112.23 1wxl h MET 42 Ca 0.12 -0.62 -0.01 0.00 -0.00 0.00 0.00 59.70 59.19 1wxl h MET 42 Cb 0.19 0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 31.92 1wxl h MET 42 CO -0.26 1.22 0.05 2.35 -0.00 0.00 0.00 176.91 180.27 1wxl h TRP 43 N 0.48 0.22 -1.76 -0.10 2.91 0.10 -2.15 115.95 115.65 1wxl h TRP 43 Ca -0.06 -0.02 0.51 0.00 1.13 0.00 0.00 58.89 60.45 1wxl h TRP 43 Cb 1.43 -0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 29.94 1wxl h TRP 43 CO 0.08 0.33 1.26 1.63 -1.03 0.00 0.00 178.44 180.72 1wxl n LYS 44 N -4.86 -0.00 -0.95 2.65 4.76 0.64 -0.46 118.16 119.94 1wxl n LYS 44 Ca -0.05 0.98 0.03 0.00 -2.87 0.00 0.00 58.31 56.41 1wxl n LYS 44 Cb 0.14 -2.26 0.04 0.00 -1.84 0.00 0.00 35.03 31.11 1wxl n LYS 44 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1wxl n GLU 45 N -3.77 0.25 -2.99 1.97 0.00 -1.17 -5.09 120.64 109.84 1wxl n GLU 45 Ca 0.40 -1.82 -0.30 0.00 0.00 0.00 0.00 57.16 55.43 1wxl n GLU 45 Cb 1.81 -0.45 -0.04 0.00 0.00 0.00 0.00 31.44 32.76 1wxl n GLU 45 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1wxl s LEU 46 N -0.54 3.91 0.00 -1.84 2.34 0.39 -4.99 118.68 117.96 1wxl s LEU 46 Ca 0.22 1.07 0.21 0.00 0.06 0.00 0.00 54.13 55.69 1wxl s LEU 46 Cb 0.24 -3.92 0.53 0.00 -0.56 0.00 0.00 46.19 42.48 1wxl s LEU 46 CO -0.09 -0.33 1.45 0.29 -1.06 0.00 0.00 176.35 176.61 1wxl n LYS 47 N -1.08 2.29 0.00 1.48 4.76 -1.26 -3.73 118.16 120.62 1wxl n LYS 47 Ca 0.02 -1.97 0.11 0.00 -2.87 0.00 0.00 58.31 53.60 1wxl n LYS 47 Cb 0.54 -1.47 0.12 0.00 -1.84 0.00 0.00 35.03 32.38 1wxl n LYS 47 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1wxl n ASP 48 N 1.15 0.86 0.20 4.39 2.03 -1.26 -3.83 116.55 120.10 1wxl n ASP 48 Ca 0.19 -0.68 0.12 0.00 0.52 0.00 0.00 54.79 54.93 1wxl n ASP 48 Cb 0.51 0.50 0.15 0.00 -0.72 0.00 0.00 41.12 41.56 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 0.36 0.00 -0.00 -0.67 3.11 -1.90 0.74 116.57 118.20 1wxl h LYS 49 Ca 0.00 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.60 1wxl h LYS 49 Cb 0.52 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.76 1wxl h LYS 49 CO 0.00 0.00 -0.98 0.77 -2.81 0.00 0.00 179.45 176.43 1wxl h SER 50 N 0.00 0.66 1.05 4.20 0.02 -1.80 0.72 113.55 118.42 1wxl h SER 50 Ca 0.00 -0.53 -0.13 0.00 -0.84 0.00 0.00 61.79 60.29 1wxl h SER 50 Cb 1.00 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1wxl h SER 50 CO 0.00 1.33 -1.01 0.07 -1.14 0.00 0.00 176.83 176.09 1wxl h LYS 51 N 0.29 0.00 0.04 3.45 2.10 -1.70 -3.35 116.57 117.40 1wxl h LYS 51 Ca -0.10 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.25 1wxl h LYS 51 Cb 1.62 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.91 1wxl h LYS 51 CO 0.18 0.36 -1.74 -1.49 -2.00 0.00 0.00 179.45 174.76 1wxl h TRP 52 N 0.00 0.16 -0.79 0.07 4.06 0.53 -3.34 115.95 116.65 1wxl h TRP 52 Ca -0.09 -0.12 0.12 0.00 2.06 0.00 0.00 58.89 60.87 1wxl h TRP 52 Cb 1.46 -0.01 -0.06 0.00 -1.00 0.00 0.00 29.16 29.56 1wxl h TRP 52 CO 0.00 1.23 0.52 0.93 -3.56 0.00 0.00 178.44 177.56 1wxl h GLU 53 N 0.02 0.57 -0.52 0.49 4.39 0.34 0.30 114.58 120.16 1wxl h GLU 53 Ca -0.31 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.41 1wxl h GLU 53 Cb 2.01 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 30.50 1wxl h GLU 53 CO 0.09 0.38 0.35 0.22 -1.16 0.00 0.00 179.01 178.89 1wxl h ASP 54 N 0.59 0.46 -0.65 1.42 1.82 -1.69 0.37 116.42 118.73 1wxl h ASP 54 Ca 0.38 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.01 1wxl h ASP 54 Cb 0.65 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.53 1wxl h ASP 54 CO -0.14 0.31 0.38 0.00 -1.61 0.00 0.00 179.24 178.18 1wxl h ALA 55 N 1.71 0.83 0.20 -0.78 0.00 -0.59 0.29 119.26 120.92 1wxl h ALA 55 Ca 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1wxl h ALA 55 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1wxl h ALA 55 CO -0.06 0.32 -0.10 0.00 0.00 0.00 0.00 179.25 179.41 1wxl h ALA 56 N 1.19 -0.27 0.00 0.00 0.00 -0.26 1.14 119.26 121.06 1wxl h ALA 56 Ca 0.23 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1wxl h ALA 56 Cb -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1wxl h ALA 56 CO -0.04 -0.47 -0.25 0.00 0.00 0.00 0.00 179.25 178.48 1wxl h ALA 57 N 0.07 1.17 0.11 0.00 0.00 -0.54 -2.15 119.26 117.92 1wxl h ALA 57 Ca -0.03 -0.23 -0.34 0.00 0.00 0.00 0.00 54.91 54.32 1wxl h ALA 57 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1wxl h ALA 57 CO 0.05 0.32 -1.81 1.57 0.00 0.00 0.00 179.25 179.37 1wxl h LYS 58 N 0.00 0.23 -0.14 0.00 2.10 -0.37 -3.35 116.57 115.04 1wxl h LYS 58 Ca -0.00 -0.40 -0.10 0.00 -2.00 0.00 0.00 60.65 58.15 1wxl h LYS 58 Cb 0.62 0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 32.09 1wxl h LYS 58 CO 0.03 1.07 -0.34 0.22 -2.00 0.00 0.00 179.45 178.43 1wxl h ASP 59 N 0.06 0.30 -0.06 7.07 1.82 0.14 0.13 116.42 125.89 1wxl h ASP 59 Ca -0.35 -0.11 0.02 0.00 -0.39 0.00 0.00 57.03 56.20 1wxl h ASP 59 Cb 2.04 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 41.96 1wxl h ASP 59 CO 0.12 0.63 0.05 0.50 -1.61 0.00 0.00 179.24 178.92 1wxl h LYS 60 N 0.25 0.00 0.04 0.28 3.11 -1.53 0.35 116.57 119.07 1wxl h LYS 60 Ca 0.03 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.63 1wxl h LYS 60 Cb 0.73 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 1wxl h LYS 60 CO 0.06 0.00 -1.30 0.37 -2.81 0.00 0.00 179.45 175.76 1wxl h GLN 61 N 0.00 0.09 0.00 1.90 5.75 -1.45 -2.81 115.11 118.59 1wxl h GLN 61 Ca 0.03 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.32 1wxl h GLN 61 Cb 0.12 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1wxl h GLN 61 CO -0.00 1.07 -0.28 -0.09 -2.65 0.00 0.00 178.83 176.88 1wxl h ARG 62 N -0.70 0.00 0.00 1.69 2.43 -0.49 -1.22 114.38 116.09 1wxl h ARG 62 Ca -0.32 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.72 1wxl h ARG 62 Cb 1.48 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.01 1wxl h ARG 62 CO -0.10 0.28 -0.77 1.88 -1.51 0.00 0.00 179.97 179.76 1wxl h TYR 63 N 0.00 0.00 0.00 2.20 -1.99 -0.48 -3.21 116.97 113.49 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 0.71 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.44 1wxl h TYR 63 CO 0.00 1.01 0.06 1.12 -0.00 0.00 0.00 178.16 180.36 1wxl h HIS 64 N -1.00 0.00 0.00 4.88 2.07 -1.55 2.74 115.15 122.30 1wxl h HIS 64 Ca -0.19 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.33 1wxl h HIS 64 Cb 1.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.98 1wxl h HIS 64 CO 0.07 0.00 0.00 -0.44 -3.07 0.00 0.00 177.93 174.49 1wxl h ASP 65 N 0.00 0.00 0.00 3.10 3.32 -1.25 -2.46 116.42 119.13 1wxl h ASP 65 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wxl h ASP 65 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1wxl h ASP 65 CO 0.00 0.00 -0.89 -1.84 -1.72 0.00 0.00 179.24 174.79 1wxl n GLU 66 N -2.95 0.00 0.11 3.56 0.28 0.30 -4.50 120.64 117.44 1wxl n GLU 66 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.90 1wxl n GLU 66 Cb 0.42 -0.54 -0.06 0.00 1.43 0.00 0.00 31.44 32.69 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 -0.31 0.00 3.44 2.86 0.42 1.18 114.93 122.52 1wxl h MET 67 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1wxl h MET 67 Cb 0.89 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1wxl h MET 67 CO 0.00 -0.20 0.00 2.89 1.06 0.00 0.00 176.91 180.66 1wxl n ARG 68 N -5.27 0.46 0.00 1.72 1.85 -0.92 -3.13 116.66 111.36 1wxl n ARG 68 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1wxl n ARG 68 Cb 0.19 -1.32 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 1wxl n ARG 68 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1wxl n ASN 69 N -0.82 0.00 0.00 2.89 5.03 0.83 -4.83 115.26 118.36 1wxl n ASN 69 Ca 0.07 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.52 1wxl n ASN 69 Cb 0.03 -0.16 0.00 0.00 -1.02 0.00 0.00 39.78 38.63 1wxl n ASN 69 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1wxl n TYR 70 N -1.86 0.00 -2.46 3.10 4.02 0.37 -4.38 117.16 115.95 1wxl n TYR 70 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 1wxl n TYR 70 Cb 0.00 -0.23 -0.03 0.00 -0.02 0.00 0.00 39.34 39.06 1wxl n TYR 70 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1wxl s LYS 71 N -2.21 4.23 0.09 -0.72 2.20 -1.18 -4.97 119.74 117.17 1wxl s LYS 71 Ca 0.00 1.66 -0.15 0.00 -0.36 0.00 0.00 55.97 57.13 1wxl s LYS 71 Cb 0.00 -2.72 -0.13 0.00 -1.51 0.00 0.00 37.83 33.47 1wxl s LYS 71 CO 0.00 -0.12 1.33 -1.00 -0.36 0.00 0.00 175.35 175.20 1wxl h PRO 72 N 2.82 0.69 0.00 4.03 0.13 -1.88 -3.44 132.00 134.35 1wxl h PRO 72 Ca -0.48 -0.48 -0.23 0.00 -0.87 0.00 0.00 66.00 63.95 1wxl h PRO 72 Cb 1.22 0.07 0.08 0.00 0.13 0.00 0.00 31.00 32.51 1wxl h PRO 72 CO 0.63 1.10 0.19 -0.85 -0.23 0.00 0.00 178.00 178.84 1wxl n GLU 73 N -4.15 -0.54 -0.51 0.86 0.28 -1.26 -5.03 120.64 110.29 1wxl n GLU 73 Ca -0.06 -1.12 0.00 0.00 -0.16 0.00 0.00 57.16 55.82 1wxl n GLU 73 Cb 0.59 -0.66 0.00 0.00 1.43 0.00 0.00 31.44 32.81 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97