#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 0.09 1.43 0.09 -1.26 -4.98 115.29 113.33 1wxl s HIS 3 Ca 0.00 0.60 -0.09 0.00 -0.00 0.00 0.00 55.06 55.57 1wxl s HIS 3 Cb 0.00 -4.45 -0.00 0.00 -0.00 0.00 0.00 32.58 28.13 1wxl s HIS 3 CO 0.00 -1.50 0.21 -1.64 -0.00 0.00 0.00 174.74 171.81 1wxl s MET 4 N 4.74 0.87 -1.19 1.40 -1.94 -1.26 -5.08 119.30 116.85 1wxl s MET 4 Ca 0.48 -0.96 -0.20 0.00 -1.71 0.00 0.00 55.69 53.30 1wxl s MET 4 Cb -0.08 0.35 -0.04 0.00 2.01 0.00 0.00 34.83 37.07 1wxl s MET 4 CO 0.30 -0.28 1.89 -0.35 -0.01 0.00 0.00 175.02 176.56 1wxl n PRO 5 N -0.08 2.19 -0.60 2.03 -0.04 -1.26 -4.80 135.00 132.45 1wxl n PRO 5 Ca -0.15 -2.66 -0.04 0.00 -0.04 0.00 0.00 63.50 60.61 1wxl n PRO 5 Cb 0.62 -3.53 -0.06 0.00 -0.04 0.00 0.00 33.50 30.50 1wxl n PRO 5 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wxl n LYS 6 N 8.00 1.19 -1.17 0.54 4.81 -1.26 -4.36 118.16 125.91 1wxl n LYS 6 Ca 0.47 -0.35 -0.09 0.00 -0.87 0.00 0.00 58.31 57.48 1wxl n LYS 6 Cb 0.45 -1.42 -0.04 0.00 0.02 0.00 0.00 35.03 34.04 1wxl n LYS 6 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1wxl n ARG 7 N 1.99 -1.38 -0.23 1.64 3.00 -1.26 -4.62 116.66 115.80 1wxl n ARG 7 Ca 0.15 0.57 0.03 0.00 -0.00 0.00 0.00 57.85 58.60 1wxl n ARG 7 Cb 0.57 -4.65 -0.01 0.00 0.00 0.00 0.00 32.46 28.36 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 0.29 -0.61 -2.88 5.13 0.00 -1.26 -4.51 120.51 116.68 1wxl n ALA 8 Ca -0.09 0.14 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 1wxl n ALA 8 Cb 0.34 -0.25 -0.11 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.82 4.57 0.74 0.00 2.01 -1.26 -4.89 115.64 113.99 1wxl s THR 9 Ca 0.00 -0.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.75 1wxl s THR 9 Cb 0.00 -3.07 0.04 0.00 0.01 0.00 0.00 72.50 69.48 1wxl s THR 9 CO 0.00 0.43 1.21 0.42 -0.69 0.00 0.00 174.62 175.99 1wxl s THR 10 N 0.67 2.26 0.31 -0.82 -4.23 -1.26 -3.70 115.64 108.86 1wxl s THR 10 Ca 0.03 0.13 0.05 0.00 -1.18 0.00 0.00 61.69 60.71 1wxl s THR 10 Cb -0.13 -2.70 0.34 0.00 1.34 0.00 0.00 72.50 71.35 1wxl s THR 10 CO 0.02 -0.07 1.62 0.00 -0.54 0.00 0.00 174.62 175.65 1wxl h ALA 11 N -0.34 1.40 0.00 3.99 0.00 -1.86 1.88 119.26 124.32 1wxl h ALA 11 Ca -0.48 0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1wxl h ALA 11 Cb 1.30 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1wxl h ALA 11 CO 0.49 -0.55 -0.55 0.35 0.00 0.00 0.00 179.25 178.99 1wxl h PHE 12 N 0.15 0.00 0.00 0.00 3.57 -1.93 -2.76 116.94 115.96 1wxl h PHE 12 Ca 0.61 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.11 1wxl h PHE 12 Cb 1.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1wxl h PHE 12 CO -0.27 0.55 -0.02 1.98 -2.23 0.00 0.00 178.31 178.32 1wxl h MET 13 N 0.00 0.00 -0.99 1.11 4.05 0.21 -1.35 114.93 117.96 1wxl h MET 13 Ca -0.01 0.00 0.28 0.00 -0.28 0.00 0.00 59.70 59.70 1wxl h MET 13 Cb 1.00 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.76 1wxl h MET 13 CO 0.07 0.00 0.71 1.37 0.23 0.00 0.00 176.91 179.29 1wxl h LEU 14 N -0.57 0.04 0.15 3.39 -0.00 0.71 1.07 115.31 120.11 1wxl h LEU 14 Ca 0.00 0.01 -0.31 0.00 -0.00 0.00 0.00 57.88 57.58 1wxl h LEU 14 Cb 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1wxl h LEU 14 CO 0.00 0.01 -1.56 -0.25 -0.00 0.00 0.00 178.44 176.64 1wxl h TRP 15 N 0.04 0.58 0.00 0.17 7.01 -1.62 -3.22 115.95 118.91 1wxl h TRP 15 Ca 0.48 -0.42 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1wxl h TRP 15 Cb 1.84 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.88 1wxl h TRP 15 CO -0.00 1.61 0.00 -0.11 -2.79 0.00 0.00 178.44 177.15 1wxl n LEU 16 N -3.77 0.47 -0.01 0.65 7.94 0.16 0.04 117.00 122.48 1wxl n LEU 16 Ca -0.25 0.65 -0.12 0.00 -1.11 0.00 0.00 56.01 55.18 1wxl n LEU 16 Cb 0.98 -0.62 -0.09 0.00 0.53 0.00 0.00 43.42 44.22 1wxl n LEU 16 CO 0.46 -0.60 0.43 -1.13 -1.11 0.00 0.00 177.39 175.44 1wxl h ASN 17 N 0.00 -0.07 0.94 1.96 -0.73 0.11 5.70 115.58 123.48 1wxl h ASN 17 Ca 0.00 -0.57 -0.07 0.00 1.87 0.00 0.00 56.30 57.53 1wxl h ASN 17 Cb 0.22 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 1wxl h ASN 17 CO 0.00 0.60 -0.33 0.44 -0.37 0.00 0.00 177.43 177.78 1wxl h ASP 18 N -0.82 0.00 0.00 1.15 5.19 -1.46 -3.05 116.42 117.43 1wxl h ASP 18 Ca -0.01 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 1wxl h ASP 18 Cb 0.63 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 1wxl h ASP 18 CO 0.01 0.33 -1.93 0.41 -3.12 0.00 0.00 179.24 174.94 1wxl n THR 19 N -3.45 0.22 -0.25 0.35 -1.04 0.11 -4.09 114.28 106.13 1wxl n THR 19 Ca 0.00 -0.49 0.14 0.00 -2.04 0.00 0.00 64.05 61.66 1wxl n THR 19 Cb 0.50 -0.04 0.42 0.00 -1.82 0.00 0.00 70.33 69.38 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 0.59 -0.45 -2.82 2.43 1.18 1.90 114.38 117.20 1wxl h ARG 20 Ca -0.09 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 1wxl h ARG 20 Cb 1.09 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 1wxl h ARG 20 CO 0.00 0.39 -0.17 1.49 -1.51 0.00 0.00 179.97 180.17 1wxl h GLU 21 N 0.61 0.87 0.00 0.20 4.81 -1.72 -2.53 114.58 116.82 1wxl h GLU 21 Ca 0.45 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1wxl h GLU 21 Cb 0.82 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1wxl h GLU 21 CO -0.20 0.97 0.00 1.03 -0.73 0.00 0.00 179.01 180.09 1wxl h SER 22 N 0.77 0.00 0.17 1.04 0.87 0.25 -2.93 113.55 113.71 1wxl h SER 22 Ca 0.11 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.37 1wxl h SER 22 Cb 0.70 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1wxl h SER 22 CO 0.05 0.00 -1.46 0.40 -0.53 0.00 0.00 176.83 175.29 1wxl h ILE 23 N 0.00 1.10 0.00 2.23 2.04 0.60 -2.90 117.51 120.58 1wxl h ILE 23 Ca 0.00 -2.50 -0.08 0.00 1.00 0.00 0.00 64.86 63.27 1wxl h ILE 23 Cb 0.51 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 1wxl h ILE 23 CO 0.00 0.78 -0.40 0.50 0.00 0.00 0.00 178.15 179.03 1wxl h LYS 24 N -0.10 0.00 -0.05 2.37 1.63 -1.44 0.43 116.57 119.40 1wxl h LYS 24 Ca -0.29 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.47 1wxl h LYS 24 Cb 1.93 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.56 1wxl h LYS 24 CO 0.15 0.40 -0.13 0.07 -3.45 0.00 0.00 179.45 176.49 1wxl h ARG 25 N 0.00 0.17 0.00 1.90 0.11 -1.62 0.38 114.38 115.32 1wxl h ARG 25 Ca -0.00 -0.12 0.00 0.00 0.10 0.00 0.00 59.98 59.96 1wxl h ARG 25 Cb 0.76 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.85 1wxl h ARG 25 CO 0.05 0.73 0.00 -0.85 0.10 0.00 0.00 179.97 180.00 1wxl n GLU 26 N -4.64 0.11 -3.11 0.08 -0.00 -1.09 -3.44 120.64 108.56 1wxl n GLU 26 Ca -0.08 0.38 -0.21 0.00 -0.00 0.00 0.00 57.16 57.25 1wxl n GLU 26 Cb 0.38 -1.73 -0.05 0.00 -0.00 0.00 0.00 31.44 30.04 1wxl n GLU 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wxl n ASN 27 N -1.95 -0.50 -2.08 -1.84 3.02 0.13 -5.02 115.26 107.03 1wxl n ASN 27 Ca 0.02 -2.81 -0.03 0.00 -0.03 0.00 0.00 54.58 51.74 1wxl n ASN 27 Cb 0.19 -0.12 -0.04 0.00 -0.61 0.00 0.00 39.78 39.20 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 1.52 0.62 -0.21 3.52 -0.02 0.13 -2.42 135.00 138.14 1wxl n PRO 28 Ca 0.19 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1wxl n PRO 28 Cb 0.55 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 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 2.36 0.55 0.00 -1.23 0.00 -1.26 -5.08 105.19 100.53 1wxl n GLY 29 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.73 -0.61 -5.35 -1.01 -5.13 119.36 103.53 1wxl n ILE 30 Ca 0.00 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.35 1wxl n ILE 30 Cb 0.27 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.10 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 1.93 0.76 0.33 6.28 -2.85 -1.26 -5.00 119.74 119.93 1wxl s LYS 31 Ca 0.00 -0.21 0.24 0.00 -1.00 0.00 0.00 55.97 55.00 1wxl s LYS 31 Cb 0.00 0.34 1.11 0.00 -2.06 0.00 0.00 37.83 37.22 1wxl s LYS 31 CO 0.00 -0.22 1.16 1.55 0.10 0.00 0.00 175.35 177.94 1wxl n VAL 32 N 1.05 -0.18 0.11 1.79 3.14 -1.26 0.21 118.33 123.18 1wxl n VAL 32 Ca -0.21 1.34 0.04 0.00 -2.96 0.00 0.00 64.34 62.55 1wxl n VAL 32 Cb 0.57 -2.19 0.00 0.00 -1.06 0.00 0.00 33.84 31.16 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 0.55 -0.03 1.55 1.35 -2.00 -3.25 112.91 111.09 1wxl h THR 33 Ca 0.66 -1.87 -0.17 0.00 -0.55 0.00 0.00 66.41 64.48 1wxl h THR 33 Cb 2.12 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 70.67 1wxl h THR 33 CO -0.34 0.31 -0.73 -0.08 -0.25 0.00 0.00 175.52 174.43 1wxl h GLU 34 N 0.00 0.20 -0.66 4.72 4.81 0.21 -2.69 114.58 121.16 1wxl h GLU 34 Ca -0.05 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 58.95 1wxl h GLU 34 Cb 1.36 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.75 1wxl h GLU 34 CO 0.04 0.84 0.18 0.82 -0.73 0.00 0.00 179.01 180.17 1wxl h ILE 35 N 0.13 1.25 0.00 2.32 2.04 -1.49 0.30 117.51 122.06 1wxl h ILE 35 Ca -0.02 -0.90 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 1wxl h ILE 35 Cb 1.30 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1wxl h ILE 35 CO 0.11 0.35 -0.35 0.00 0.00 0.00 0.00 178.15 178.26 1wxl h ALA 36 N 1.20 1.08 0.01 1.87 0.00 -1.55 -1.96 119.26 119.91 1wxl h ALA 36 Ca 0.21 -0.32 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 1wxl h ALA 36 Cb 0.32 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1wxl h ALA 36 CO -0.00 0.44 -1.64 1.63 0.00 0.00 0.00 179.25 179.68 1wxl n LYS 37 N -3.62 0.58 0.12 0.00 4.76 -0.91 -3.85 118.16 115.25 1wxl n LYS 37 Ca -0.01 0.48 0.12 0.00 -2.87 0.00 0.00 58.31 56.03 1wxl n LYS 37 Cb 0.47 -1.68 0.48 0.00 -1.84 0.00 0.00 35.03 32.45 1wxl n LYS 37 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1wxl n LYS 38 N -4.31 0.19 0.09 1.97 4.76 0.10 -1.30 118.16 119.66 1wxl n LYS 38 Ca -0.38 0.41 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 1wxl n LYS 38 Cb 0.76 -1.85 -0.08 0.00 -1.84 0.00 0.00 35.03 32.02 1wxl n LYS 38 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1wxl h GLY 39 N 2.33 0.29 0.99 0.72 0.00 -1.52 -3.21 103.07 102.67 1wxl h GLY 39 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1wxl h GLY 39 CO 0.00 0.54 0.35 -1.33 0.00 0.00 0.00 176.54 176.09 1wxl h GLY 40 N 1.72 0.74 0.81 4.60 0.00 -1.30 1.10 103.07 110.74 1wxl h GLY 40 Ca -0.09 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.01 1wxl h GLY 40 CO 0.17 0.26 0.32 1.05 0.00 0.00 0.00 176.54 178.34 1wxl h GLU 41 N 0.71 0.60 -0.05 4.80 4.11 -1.57 0.20 114.58 123.38 1wxl h GLU 41 Ca 0.20 -0.04 -0.25 0.00 0.07 0.00 0.00 59.36 59.34 1wxl h GLU 41 Cb -0.07 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 29.06 1wxl h GLU 41 CO -0.05 0.40 -0.95 0.00 0.07 0.00 0.00 179.01 178.48 1wxl h MET 42 N 0.62 0.68 0.39 1.06 -0.00 -1.46 -3.31 114.93 112.91 1wxl h MET 42 Ca 0.23 -0.68 -0.02 0.00 -0.00 0.00 0.00 59.70 59.24 1wxl h MET 42 Cb 0.07 0.18 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 1wxl h MET 42 CO -0.12 1.27 -0.19 2.35 -0.00 0.00 0.00 176.91 180.22 1wxl h TRP 43 N 0.41 -0.48 -0.96 -0.10 2.91 0.16 -2.63 115.95 115.26 1wxl h TRP 43 Ca -0.10 -0.01 0.28 0.00 1.13 0.00 0.00 58.89 60.19 1wxl h TRP 43 Cb 1.59 0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 30.36 1wxl h TRP 43 CO 0.09 -0.22 0.88 0.87 -1.03 0.00 0.00 178.44 179.03 1wxl h LYS 44 N -0.67 0.00 -1.64 2.65 1.57 -0.73 -0.75 116.57 117.02 1wxl h LYS 44 Ca -0.05 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.17 1wxl h LYS 44 Cb 0.48 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.37 1wxl h LYS 44 CO 0.09 0.00 -0.80 0.39 -0.57 0.00 0.00 179.45 178.56 1wxl n GLU 45 N -3.72 2.97 -4.14 3.15 -0.58 -1.01 -5.04 120.64 112.26 1wxl n GLU 45 Ca 0.21 -4.37 -0.16 0.00 -0.42 0.00 0.00 57.16 52.42 1wxl n GLU 45 Cb 1.20 -2.09 -0.14 0.00 -0.57 0.00 0.00 31.44 29.83 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 -3.42 2.02 -0.14 -4.62 0.20 -0.29 -4.96 118.68 107.47 1wxl s LEU 46 Ca 0.45 -0.10 0.10 0.00 0.69 0.00 0.00 54.13 55.27 1wxl s LEU 46 Cb 0.38 -0.25 0.53 0.00 -0.43 0.00 0.00 46.19 46.42 1wxl s LEU 46 CO -0.14 0.05 1.33 1.17 -0.29 0.00 0.00 176.35 178.47 1wxl n LYS 47 N 2.92 3.40 -0.00 1.98 0.00 -1.26 -3.32 118.16 121.88 1wxl n LYS 47 Ca -0.13 -2.05 0.09 0.00 0.00 0.00 0.00 58.31 56.22 1wxl n LYS 47 Cb 0.58 -1.93 -0.10 0.00 0.00 0.00 0.00 35.03 33.58 1wxl n LYS 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1wxl n ASP 48 N 0.48 0.86 0.13 3.14 -0.08 -1.26 -4.17 116.55 115.66 1wxl n ASP 48 Ca 0.18 -0.91 0.02 0.00 -1.51 0.00 0.00 54.79 52.57 1wxl n ASP 48 Cb 0.82 1.02 0.02 0.00 2.34 0.00 0.00 41.12 45.31 1wxl n ASP 48 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1wxl h LYS 49 N 0.00 0.00 0.00 -0.67 3.11 -1.88 0.20 116.57 117.33 1wxl h LYS 49 Ca 0.00 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1wxl h LYS 49 Cb 0.44 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.66 1wxl h LYS 49 CO 0.00 0.51 -0.37 1.03 -2.81 0.00 0.00 179.45 177.82 1wxl h SER 50 N 0.00 0.00 0.35 4.20 0.87 -1.78 1.33 113.55 118.52 1wxl h SER 50 Ca -0.01 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1wxl h SER 50 Cb 1.40 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 1wxl h SER 50 CO 0.07 0.37 -1.70 2.29 -0.53 0.00 0.00 176.83 177.32 1wxl n LYS 51 N -3.68 0.64 -0.12 2.24 2.85 -1.12 -4.15 118.16 114.82 1wxl n LYS 51 Ca -0.01 -0.05 -0.22 0.00 -1.05 0.00 0.00 58.31 56.99 1wxl n LYS 51 Cb 0.46 -1.64 -0.12 0.00 -0.65 0.00 0.00 35.03 33.09 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 -2.49 0.20 -0.05 5.58 8.01 0.70 -4.17 117.44 125.22 1wxl n TRP 52 Ca -0.06 0.06 0.17 0.00 -1.31 0.00 0.00 57.50 56.35 1wxl n TRP 52 Cb 0.65 -1.02 0.61 0.00 -2.01 0.00 0.00 31.31 29.53 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 -0.34 0.18 -0.14 -0.99 -0.00 0.15 0.29 114.58 113.73 1wxl h GLU 53 Ca -0.59 -0.01 -0.11 0.00 -0.00 0.00 0.00 59.36 58.66 1wxl h GLU 53 Cb 1.80 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 30.50 1wxl h GLU 53 CO -0.17 0.12 -0.38 -0.44 -0.00 0.00 0.00 179.01 178.14 1wxl h ASP 54 N 0.18 0.32 -0.69 3.06 5.19 -1.72 -2.36 116.42 120.40 1wxl h ASP 54 Ca 0.28 -0.13 0.05 0.00 -0.62 0.00 0.00 57.03 56.62 1wxl h ASP 54 Cb 0.86 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 40.23 1wxl h ASP 54 CO -0.05 0.68 0.40 0.00 -3.12 0.00 0.00 179.24 177.15 1wxl h ALA 55 N 1.34 0.93 -0.06 3.45 0.00 -0.58 0.27 119.26 124.61 1wxl h ALA 55 Ca 0.03 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1wxl h ALA 55 Cb 0.79 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1wxl h ALA 55 CO 0.06 0.10 -0.13 0.00 0.00 0.00 0.00 179.25 179.28 1wxl h ALA 56 N 1.35 -0.10 0.00 0.00 0.00 -1.26 1.09 119.26 120.33 1wxl h ALA 56 Ca 0.30 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1wxl h ALA 56 Cb 0.16 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1wxl h ALA 56 CO -0.17 -0.61 -0.18 0.00 0.00 0.00 0.00 179.25 178.29 1wxl h ALA 57 N 0.81 1.13 0.19 0.00 0.00 -1.23 0.20 119.26 120.36 1wxl h ALA 57 Ca 0.07 -0.17 -0.31 0.00 0.00 0.00 0.00 54.91 54.49 1wxl h ALA 57 Cb 0.28 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1wxl h ALA 57 CO -0.17 0.23 -1.42 1.57 0.00 0.00 0.00 179.25 179.46 1wxl h LYS 58 N 0.00 0.40 0.08 0.00 2.10 0.71 -2.99 116.57 116.87 1wxl h LYS 58 Ca -0.00 -0.69 -0.28 0.00 -2.00 0.00 0.00 60.65 57.68 1wxl h LYS 58 Cb 0.57 0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 1wxl h LYS 58 CO 0.02 1.32 -1.39 0.22 -2.00 0.00 0.00 179.45 177.62 1wxl h ASP 59 N 0.11 0.27 -0.28 7.07 1.82 0.14 -2.05 116.42 123.50 1wxl h ASP 59 Ca -0.22 -0.35 -0.03 0.00 -0.39 0.00 0.00 57.03 56.04 1wxl h ASP 59 Cb 2.08 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.99 1wxl h ASP 59 CO 0.23 1.29 0.05 0.50 -1.61 0.00 0.00 179.24 179.70 1wxl h LYS 60 N 0.05 0.47 0.00 0.28 3.11 -0.74 0.34 116.57 120.08 1wxl h LYS 60 Ca -0.18 -0.13 -0.04 0.00 -2.81 0.00 0.00 60.65 57.49 1wxl h LYS 60 Cb 1.96 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 33.13 1wxl h LYS 60 CO 0.15 0.58 -0.21 1.96 -2.81 0.00 0.00 179.45 179.12 1wxl h GLN 61 N 0.29 0.00 0.00 1.90 4.20 -1.64 -1.64 115.11 118.22 1wxl h GLN 61 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1wxl h GLN 61 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1wxl h GLN 61 CO 0.01 0.21 -0.99 -2.13 -0.67 0.00 0.00 178.83 175.26 1wxl n ARG 62 N -3.23 0.38 -0.02 1.46 0.63 -0.77 -2.03 116.66 113.09 1wxl n ARG 62 Ca 0.02 0.03 -0.22 0.00 -0.92 0.00 0.00 57.85 56.76 1wxl n ARG 62 Cb 0.52 -1.66 -0.13 0.00 0.45 0.00 0.00 32.46 31.64 1wxl n ARG 62 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1wxl h TYR 63 N 0.00 0.38 0.00 -0.14 -1.99 -0.24 -3.32 116.97 111.66 1wxl h TYR 63 Ca 0.00 -0.27 -0.10 0.00 2.00 0.00 0.00 58.73 60.35 1wxl h TYR 63 Cb 0.81 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.51 1wxl h TYR 63 CO 0.00 1.66 -0.50 1.12 -0.00 0.00 0.00 178.16 180.44 1wxl h HIS 64 N -0.27 0.00 0.00 4.88 2.07 -1.45 1.90 115.15 122.28 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 1.80 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.78 1wxl h HIS 64 CO 0.10 0.50 0.00 -0.25 -3.07 0.00 0.00 177.93 175.20 1wxl n ASP 65 N -3.70 0.00 0.00 3.10 8.00 -0.86 -3.02 116.55 120.08 1wxl n ASP 65 Ca -0.01 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1wxl n ASP 65 Cb 0.56 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 -1.34 0.00 -0.51 -1.24 0.28 -1.07 -4.89 120.64 111.86 1wxl n GLU 66 Ca 0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.10 1wxl n GLU 66 Cb 0.05 0.00 0.28 0.00 1.43 0.00 0.00 31.44 33.21 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 -0.75 3.38 -0.34 3.44 2.81 0.57 -4.63 117.12 121.60 1wxl n MET 67 Ca 0.00 -2.80 -0.03 0.00 -1.81 0.00 0.00 57.70 53.06 1wxl n MET 67 Cb 0.00 -1.85 -0.00 0.00 -0.71 0.00 0.00 33.22 30.66 1wxl n MET 67 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1wxl n ARG 68 N 0.04 -0.26 -0.06 0.03 0.63 0.28 -2.10 116.66 115.23 1wxl n ARG 68 Ca 0.22 1.33 -0.22 0.00 -0.92 0.00 0.00 57.85 58.25 1wxl n ARG 68 Cb 0.88 -1.97 -0.13 0.00 0.45 0.00 0.00 32.46 31.70 1wxl n ARG 68 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1wxl n ASN 69 N -5.22 2.00 0.00 6.15 3.02 -1.26 -4.69 115.26 115.26 1wxl n ASN 69 Ca 0.07 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1wxl n ASN 69 Cb 0.31 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1wxl n ASN 69 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1wxl n TYR 70 N -3.91 0.00 -1.39 3.10 4.02 -0.89 -4.83 117.16 113.25 1wxl n TYR 70 Ca -0.35 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.64 1wxl n TYR 70 Cb 0.88 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 40.15 1wxl n TYR 70 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1wxl n LYS 71 N -0.35 -3.40 0.01 -0.72 4.76 -1.25 -4.34 118.16 112.87 1wxl n LYS 71 Ca 0.00 2.73 -0.10 0.00 -2.87 0.00 0.00 58.31 58.06 1wxl n LYS 71 Cb 0.00 -3.69 -0.04 0.00 -1.84 0.00 0.00 35.03 29.46 1wxl n LYS 71 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1wxl h PRO 72 N -0.78 -0.36 -4.89 1.97 0.11 -1.88 -3.37 132.00 122.79 1wxl h PRO 72 Ca -0.12 0.02 -0.69 0.00 0.11 0.00 0.00 66.00 65.33 1wxl h PRO 72 Cb 1.15 0.08 -0.18 0.00 0.11 0.00 0.00 31.00 32.16 1wxl h PRO 72 CO 0.05 -0.24 -0.20 -1.83 -0.21 0.00 0.00 178.00 175.56 1wxl s GLU 73 N -6.03 3.15 0.00 1.05 -1.05 -1.26 -5.09 118.70 109.47 1wxl s GLU 73 Ca -0.15 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 53.96 1wxl s GLU 73 Cb 0.10 -3.95 0.00 0.00 -0.44 0.00 0.00 34.13 29.84 1wxl s GLU 73 CO 0.66 -0.83 0.14 0.00 0.95 0.00 0.00 175.26 176.18