#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 -0.21 -0.58 0.66 -0.00 -1.26 -5.16 115.22 108.67 1wxl n HIS 3 Ca 0.00 -0.18 -0.30 0.00 -0.00 0.00 0.00 57.72 57.24 1wxl n HIS 3 Cb 0.00 0.08 0.21 0.00 -0.00 0.00 0.00 29.99 30.28 1wxl n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1wxl n MET 4 N -0.23 -1.72 -0.61 -1.40 2.00 -1.26 -4.89 117.12 109.01 1wxl n MET 4 Ca 0.01 -0.47 -0.06 0.00 0.00 0.00 0.00 57.70 57.19 1wxl n MET 4 Cb 0.15 -2.09 0.16 0.00 0.00 0.00 0.00 33.22 31.43 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 -3.98 2.39 -0.16 0.03 -0.04 -1.26 -4.92 135.00 127.06 1wxl n PRO 5 Ca 0.05 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 1wxl n PRO 5 Cb 0.55 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.07 -0.06 -1.77 0.54 3.00 -1.26 -0.05 118.16 118.49 1wxl n LYS 6 Ca 0.25 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 1wxl n LYS 6 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 35.03 36.03 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 -0.06 -2.07 -1.00 1.64 0.63 -1.26 -4.39 116.66 110.15 1wxl n ARG 7 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 1wxl n ARG 7 Cb 0.00 -3.93 -0.06 0.00 0.45 0.00 0.00 32.46 28.92 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 -1.74 -2.48 -2.68 5.13 0.00 0.93 -4.66 120.51 115.01 1wxl n ALA 8 Ca 0.00 0.62 -0.37 0.00 0.00 0.00 0.00 53.44 53.69 1wxl n ALA 8 Cb 0.28 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 1wxl n ALA 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wxl s THR 9 N -4.03 5.29 0.77 0.00 -4.23 -1.26 -4.88 115.64 107.29 1wxl s THR 9 Ca 0.00 0.15 -0.15 0.00 -1.18 0.00 0.00 61.69 60.52 1wxl s THR 9 Cb 0.00 -3.47 0.06 0.00 1.34 0.00 0.00 72.50 70.43 1wxl s THR 9 CO 0.00 0.34 1.22 0.35 -0.54 0.00 0.00 174.62 175.99 1wxl n THR 10 N 4.33 2.80 -0.32 3.99 -2.24 -1.26 -3.65 114.28 117.94 1wxl n THR 10 Ca -0.15 -0.29 0.19 0.00 -2.27 0.00 0.00 64.05 61.53 1wxl n THR 10 Cb 0.52 -1.27 0.37 0.00 -2.10 0.00 0.00 70.33 67.86 1wxl n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wxl h ALA 11 N -0.52 1.52 -0.02 6.98 0.00 -1.87 1.32 119.26 126.66 1wxl h ALA 11 Ca -0.47 0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1wxl h ALA 11 Cb 1.31 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1wxl h ALA 11 CO 0.48 -0.61 -0.65 0.35 0.00 0.00 0.00 179.25 178.82 1wxl h PHE 12 N 0.13 0.11 0.09 0.00 3.04 -1.93 -2.79 116.94 115.59 1wxl h PHE 12 Ca 0.65 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.55 1wxl h PHE 12 Cb 1.45 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.94 1wxl h PHE 12 CO -0.24 0.70 -0.04 1.98 -2.02 0.00 0.00 178.31 178.69 1wxl h MET 13 N 0.06 -0.12 -0.90 1.11 4.05 0.11 -0.39 114.93 118.86 1wxl h MET 13 Ca -0.01 0.01 0.25 0.00 -0.28 0.00 0.00 59.70 59.67 1wxl h MET 13 Cb 1.15 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.94 1wxl h MET 13 CO 0.09 -0.08 0.64 1.37 0.23 0.00 0.00 176.91 179.16 1wxl h LEU 14 N -0.74 0.08 0.12 3.39 -0.00 -0.18 1.08 115.31 119.07 1wxl h LEU 14 Ca -0.01 0.01 -0.26 0.00 -0.00 0.00 0.00 57.88 57.62 1wxl h LEU 14 Cb 0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1wxl h LEU 14 CO 0.02 0.03 -1.31 -0.25 -0.00 0.00 0.00 178.44 176.93 1wxl h TRP 15 N 0.08 0.48 0.00 0.17 7.01 -1.60 -3.17 115.95 118.92 1wxl h TRP 15 Ca 0.44 -0.35 0.00 0.00 2.11 0.00 0.00 58.89 61.09 1wxl h TRP 15 Cb 1.61 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.65 1wxl h TRP 15 CO -0.00 1.51 0.00 1.25 -2.79 0.00 0.00 178.44 178.41 1wxl h LEU 16 N -0.30 0.00 0.12 0.65 5.85 0.68 0.54 115.31 122.85 1wxl h LEU 16 Ca -0.27 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1wxl h LEU 16 Cb 1.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1wxl h LEU 16 CO 0.08 0.00 -0.06 -1.13 -0.34 0.00 0.00 178.44 176.99 1wxl h ASN 17 N 0.00 -0.14 0.85 1.25 -0.73 0.11 3.70 115.58 120.62 1wxl h ASN 17 Ca 0.00 -0.42 -0.12 0.00 1.87 0.00 0.00 56.30 57.63 1wxl h ASN 17 Cb 0.17 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 1wxl h ASN 17 CO 0.00 0.42 -0.55 0.44 -0.37 0.00 0.00 177.43 177.37 1wxl h ASP 18 N -0.77 0.00 0.00 1.15 5.19 -1.36 -3.21 116.42 117.42 1wxl h ASP 18 Ca -0.02 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.20 1wxl h ASP 18 Cb 0.55 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.02 1wxl h ASP 18 CO 0.03 0.55 -2.12 0.41 -3.12 0.00 0.00 179.24 174.99 1wxl n THR 19 N -3.58 0.74 -0.08 0.35 -1.04 0.18 -4.07 114.28 106.78 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 0.62 -0.28 0.47 0.00 -1.82 0.00 0.00 70.33 69.33 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 0.45 -0.70 -2.82 0.11 0.70 1.82 114.38 113.95 1wxl h ARG 20 Ca -0.29 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.75 1wxl h ARG 20 Cb 1.63 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 32.57 1wxl h ARG 20 CO 0.02 0.30 0.39 1.49 0.10 0.00 0.00 179.97 182.26 1wxl h GLU 21 N 0.47 0.97 0.00 0.08 4.81 -1.68 -0.20 114.58 119.03 1wxl h GLU 21 Ca 0.26 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1wxl h GLU 21 Cb 0.43 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1wxl h GLU 21 CO -0.08 0.72 0.00 0.77 -0.73 0.00 0.00 179.01 179.70 1wxl h SER 22 N 0.96 0.00 0.14 1.04 0.02 0.23 -2.90 113.55 113.03 1wxl h SER 22 Ca 0.25 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.90 1wxl h SER 22 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1wxl h SER 22 CO -0.04 0.00 -1.48 0.40 -1.14 0.00 0.00 176.83 174.57 1wxl h ILE 23 N 0.00 1.03 0.00 3.27 2.04 0.19 -2.54 117.51 121.50 1wxl h ILE 23 Ca 0.00 -2.44 -0.10 0.00 1.00 0.00 0.00 64.86 63.33 1wxl h ILE 23 Cb 0.39 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 1wxl h ILE 23 CO 0.00 0.75 -0.46 0.50 0.00 0.00 0.00 178.15 178.94 1wxl h LYS 24 N -0.19 0.00 -0.13 2.37 1.63 -1.28 -0.71 116.57 118.26 1wxl h LYS 24 Ca -0.31 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.30 1wxl h LYS 24 Cb 1.85 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.49 1wxl h LYS 24 CO 0.10 0.46 -0.66 0.07 -3.45 0.00 0.00 179.45 175.97 1wxl h ARG 25 N 0.00 0.67 0.00 1.90 0.11 -1.63 0.40 114.38 115.83 1wxl h ARG 25 Ca -0.00 -0.55 0.00 0.00 0.10 0.00 0.00 59.98 59.52 1wxl h ARG 25 Cb 0.84 0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.04 1wxl h ARG 25 CO 0.06 1.17 0.00 0.39 0.10 0.00 0.00 179.97 181.69 1wxl n GLU 26 N -4.07 0.15 -2.85 0.08 -0.58 -0.96 -3.68 120.64 108.73 1wxl n GLU 26 Ca -0.08 0.51 -0.09 0.00 -0.42 0.00 0.00 57.16 57.08 1wxl n GLU 26 Cb 0.69 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 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 -2.15 -2.77 -2.30 1.62 3.02 -0.31 -5.04 115.26 107.34 1wxl n ASN 27 Ca 0.01 -2.96 -0.04 0.00 -0.03 0.00 0.00 54.58 51.56 1wxl n ASN 27 Cb 0.13 1.39 -0.05 0.00 -0.61 0.00 0.00 39.78 40.63 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 2.47 0.66 -0.03 3.52 -0.02 0.14 -2.24 135.00 139.50 1wxl n PRO 28 Ca 0.17 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1wxl n PRO 28 Cb 0.57 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 2.76 0.46 0.00 -1.23 0.00 -1.26 -5.08 105.19 100.84 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 -0.95 -5.12 119.36 103.79 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 0.23 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.08 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 0.26 1.08 0.35 6.28 -2.85 -1.26 -5.00 119.74 118.60 1wxl s LYS 31 Ca 0.00 -0.22 0.28 0.00 -1.00 0.00 0.00 55.97 55.03 1wxl s LYS 31 Cb 0.00 0.50 1.15 0.00 -2.06 0.00 0.00 37.83 37.41 1wxl s LYS 31 CO 0.00 -0.40 1.13 1.55 0.10 0.00 0.00 175.35 177.73 1wxl n VAL 32 N 0.33 -0.12 0.12 1.79 3.14 -1.26 0.20 118.33 122.53 1wxl n VAL 32 Ca -0.18 1.23 0.03 0.00 -2.96 0.00 0.00 64.34 62.46 1wxl n VAL 32 Cb 0.61 -2.03 0.01 0.00 -1.06 0.00 0.00 33.84 31.36 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 0.71 0.00 1.55 1.35 -1.99 -3.02 112.91 111.51 1wxl h THR 33 Ca 0.66 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1wxl h THR 33 Cb 2.30 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 71.01 1wxl h THR 33 CO -0.23 0.41 -0.57 -0.08 -0.25 0.00 0.00 175.52 174.80 1wxl h GLU 34 N 0.00 0.00 0.01 4.72 4.81 0.19 -2.58 114.58 121.73 1wxl h GLU 34 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1wxl h GLU 34 Cb 1.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1wxl h GLU 34 CO 0.06 0.00 -0.00 0.82 -0.73 0.00 0.00 179.01 179.15 1wxl h ILE 35 N 0.00 1.54 0.00 2.32 2.04 -1.38 0.22 117.51 122.24 1wxl h ILE 35 Ca 0.00 -1.72 -0.05 0.00 1.00 0.00 0.00 64.86 64.09 1wxl h ILE 35 Cb 0.99 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 1wxl h ILE 35 CO 0.00 0.44 -0.24 0.00 0.00 0.00 0.00 178.15 178.35 1wxl h ALA 36 N 0.20 1.01 0.00 1.87 0.00 -1.64 -1.92 119.26 118.77 1wxl h ALA 36 Ca -0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.44 1wxl h ALA 36 Cb 0.73 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1wxl h ALA 36 CO 0.00 0.30 -1.47 1.17 0.00 0.00 0.00 179.25 179.25 1wxl n LYS 37 N -3.39 0.55 0.05 0.00 0.00 -0.97 -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 58.87 1wxl n LYS 37 Cb 0.44 -1.66 0.37 0.00 0.00 0.00 0.00 35.03 34.18 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 -4.41 0.08 -0.02 1.64 -0.00 0.78 -2.60 118.16 113.62 1wxl n LYS 38 Ca -0.34 0.34 -0.21 0.00 -0.00 0.00 0.00 58.31 58.11 1wxl n LYS 38 Cb 0.67 -1.66 -0.13 0.00 -0.00 0.00 0.00 35.03 33.91 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 2.16 0.21 0.29 2.58 0.00 -1.47 -3.33 103.07 103.51 1wxl h GLY 39 Ca 0.00 -0.54 0.13 0.00 0.00 0.00 0.00 47.33 46.92 1wxl h GLY 39 CO 0.00 0.47 0.38 -1.33 0.00 0.00 0.00 176.54 176.06 1wxl h GLY 40 N -0.02 1.22 0.47 4.60 0.00 -1.52 0.88 103.07 108.70 1wxl h GLY 40 Ca -0.33 -0.22 0.08 0.00 0.00 0.00 0.00 47.33 46.86 1wxl h GLY 40 CO 0.00 -0.02 0.20 1.05 0.00 0.00 0.00 176.54 177.78 1wxl h GLU 41 N 0.58 0.37 -0.04 4.80 4.11 -1.69 0.17 114.58 122.88 1wxl h GLU 41 Ca 0.41 -0.02 -0.21 0.00 0.07 0.00 0.00 59.36 59.61 1wxl h GLU 41 Cb 0.55 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1wxl h GLU 41 CO -0.34 0.25 -0.85 0.00 0.07 0.00 0.00 179.01 178.13 1wxl h MET 42 N 0.38 0.44 0.47 1.06 -0.00 -1.26 -3.31 114.93 112.71 1wxl h MET 42 Ca 0.27 -0.42 -0.02 0.00 -0.00 0.00 0.00 59.70 59.53 1wxl h MET 42 Cb 0.30 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.01 1wxl h MET 42 CO -0.27 1.07 -0.22 2.35 -0.00 0.00 0.00 176.91 179.83 1wxl h TRP 43 N 0.27 -0.58 -0.33 -0.10 2.91 0.16 -2.29 115.95 115.99 1wxl h TRP 43 Ca -0.06 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.04 1wxl h TRP 43 Cb 1.47 0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 30.29 1wxl h TRP 43 CO 0.06 -0.35 0.47 -0.22 -1.03 0.00 0.00 178.44 177.37 1wxl h LYS 44 N -0.65 0.00 -1.01 2.65 3.64 -0.79 -0.23 116.57 120.19 1wxl h LYS 44 Ca -0.06 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.73 1wxl h LYS 44 Cb 0.49 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.91 1wxl h LYS 44 CO 0.11 0.00 -0.47 -0.85 -2.27 0.00 0.00 179.45 175.96 1wxl n GLU 45 N -3.45 3.41 -4.58 1.90 0.28 -0.89 -5.01 120.64 112.29 1wxl n GLU 45 Ca 0.06 -4.09 -0.22 0.00 -0.16 0.00 0.00 57.16 52.75 1wxl n GLU 45 Cb 0.62 -2.27 -0.15 0.00 1.43 0.00 0.00 31.44 31.07 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 -3.64 2.05 -0.12 -1.84 0.20 -0.10 -4.98 118.68 110.24 1wxl s LEU 46 Ca 0.52 -0.29 0.07 0.00 0.69 0.00 0.00 54.13 55.13 1wxl s LEU 46 Cb 0.42 -0.69 0.42 0.00 -0.43 0.00 0.00 46.19 45.91 1wxl s LEU 46 CO -0.04 0.15 1.15 2.29 -0.29 0.00 0.00 176.35 179.61 1wxl n LYS 47 N 2.59 3.00 -0.00 1.98 2.85 -1.26 -3.27 118.16 124.04 1wxl n LYS 47 Ca -0.15 -1.62 0.07 0.00 -1.05 0.00 0.00 58.31 55.55 1wxl n LYS 47 Cb 0.55 -1.90 -0.09 0.00 -0.65 0.00 0.00 35.03 32.95 1wxl n LYS 47 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1wxl n ASP 48 N 0.31 1.03 0.13 -5.58 9.92 -1.26 -4.34 116.55 116.76 1wxl n ASP 48 Ca 0.15 -0.54 0.00 0.00 -0.53 0.00 0.00 54.79 53.86 1wxl n ASP 48 Cb 0.75 1.22 0.08 0.00 -0.64 0.00 0.00 41.12 42.53 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 0.00 -1.24 3.11 -1.86 1.03 116.57 117.62 1wxl h LYS 49 Ca 0.00 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 1wxl h LYS 49 Cb 0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.65 1wxl h LYS 49 CO 0.00 0.61 -0.47 0.77 -2.81 0.00 0.00 179.45 177.56 1wxl h SER 50 N 0.00 0.00 0.13 4.20 0.02 -1.77 1.49 113.55 117.62 1wxl h SER 50 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1wxl h SER 50 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1wxl h SER 50 CO 0.08 0.47 -1.18 1.17 -1.14 0.00 0.00 176.83 176.23 1wxl n LYS 51 N -3.83 0.20 -0.10 3.45 0.00 -1.04 -4.23 118.16 112.61 1wxl n LYS 51 Ca -0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 58.31 58.08 1wxl n LYS 51 Cb 0.51 -1.53 -0.08 0.00 0.00 0.00 0.00 35.03 33.93 1wxl n LYS 51 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1wxl n TRP 52 N -1.76 0.00 -0.15 5.64 5.03 0.35 -4.33 117.44 122.22 1wxl n TRP 52 Ca 0.02 0.00 0.20 0.00 3.03 0.00 0.00 57.50 60.75 1wxl n TRP 52 Cb 0.40 -0.74 0.58 0.00 -1.03 0.00 0.00 31.31 30.52 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 -0.39 0.25 -0.08 -0.99 -0.00 0.19 0.41 114.58 113.98 1wxl h GLU 53 Ca -0.48 -0.01 -0.11 0.00 -0.00 0.00 0.00 59.36 58.75 1wxl h GLU 53 Cb 1.56 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 30.24 1wxl h GLU 53 CO -0.20 0.16 -0.47 0.22 -0.00 0.00 0.00 179.01 178.73 1wxl h ASP 54 N 0.26 0.20 -0.63 3.06 1.82 -1.74 -2.53 116.42 116.86 1wxl h ASP 54 Ca 0.38 -0.09 0.05 0.00 -0.39 0.00 0.00 57.03 56.98 1wxl h ASP 54 Cb 1.11 -0.06 -0.05 0.00 0.68 0.00 0.00 39.33 41.01 1wxl h ASP 54 CO -0.09 0.64 0.34 0.00 -1.61 0.00 0.00 179.24 178.53 1wxl h ALA 55 N 1.36 0.83 -0.07 -0.78 0.00 -0.38 0.28 119.26 120.51 1wxl h ALA 55 Ca 0.01 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wxl h ALA 55 Cb 0.89 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1wxl h ALA 55 CO 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 179.25 179.31 1wxl h ALA 56 N 1.33 0.03 0.00 0.00 0.00 -1.29 1.28 119.26 120.62 1wxl h ALA 56 Ca 0.28 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1wxl h ALA 56 Cb 0.17 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1wxl h ALA 56 CO -0.17 -0.50 -0.17 0.00 0.00 0.00 0.00 179.25 178.40 1wxl h ALA 57 N 1.05 1.23 0.20 0.00 0.00 -1.21 0.16 119.26 120.69 1wxl h ALA 57 Ca 0.04 -0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.48 1wxl h ALA 57 Cb 0.08 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.87 1wxl h ALA 57 CO -0.09 0.22 -1.42 1.57 0.00 0.00 0.00 179.25 179.53 1wxl h LYS 58 N 0.00 0.41 0.06 0.00 2.10 0.72 -3.04 116.57 116.82 1wxl h LYS 58 Ca -0.00 -0.71 -0.25 0.00 -2.00 0.00 0.00 60.65 57.69 1wxl h LYS 58 Cb 0.47 0.26 0.01 0.00 -0.90 0.00 0.00 32.23 32.07 1wxl h LYS 58 CO 0.02 1.33 -1.08 0.22 -2.00 0.00 0.00 179.45 177.94 1wxl h ASP 59 N 0.11 0.60 -0.65 7.07 1.82 0.20 0.12 116.42 125.69 1wxl h ASP 59 Ca -0.22 -0.53 -0.04 0.00 -0.39 0.00 0.00 57.03 55.86 1wxl h ASP 59 Cb 2.09 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 41.88 1wxl h ASP 59 CO 0.24 1.35 0.27 0.07 -1.61 0.00 0.00 179.24 179.56 1wxl h LYS 60 N 0.21 0.99 0.04 0.28 5.09 -0.81 0.30 116.57 122.68 1wxl h LYS 60 Ca -0.12 -0.16 -0.24 0.00 0.09 0.00 0.00 60.65 60.22 1wxl h LYS 60 Cb 1.74 -0.17 0.02 0.00 0.10 0.00 0.00 32.23 33.92 1wxl h LYS 60 CO 0.19 0.81 -0.95 1.96 -2.09 0.00 0.00 179.45 179.36 1wxl h GLN 61 N 0.97 0.57 0.00 0.07 4.20 -1.53 -1.97 115.11 117.42 1wxl h GLN 61 Ca 0.23 -0.67 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1wxl h GLN 61 Cb 0.18 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1wxl h GLN 61 CO -0.02 1.27 0.00 -0.09 -0.67 0.00 0.00 178.83 179.32 1wxl h ARG 62 N 0.16 0.00 0.00 1.46 2.43 -0.42 0.16 114.38 118.17 1wxl h ARG 62 Ca -0.13 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.91 1wxl h ARG 62 Cb 1.64 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.17 1wxl h ARG 62 CO 0.19 0.00 -0.78 -0.92 -1.51 0.00 0.00 179.97 176.95 1wxl h TYR 63 N 0.00 0.00 0.00 2.20 3.20 -0.37 -3.32 116.97 118.68 1wxl h TYR 63 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1wxl h TYR 63 Cb 0.50 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1wxl h TYR 63 CO 0.00 1.02 0.00 -2.39 -1.64 0.00 0.00 178.16 175.15 1wxl n HIS 64 N -4.53 0.72 0.80 -3.82 1.44 -0.75 0.36 115.22 109.45 1wxl n HIS 64 Ca -0.21 0.29 0.12 0.00 -2.01 0.00 0.00 57.72 55.91 1wxl n HIS 64 Cb 0.52 -0.96 0.52 0.00 0.12 0.00 0.00 29.99 30.18 1wxl n HIS 64 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wxl n ASP 65 N -2.16 0.19 0.00 4.39 8.00 0.56 -4.22 116.55 123.31 1wxl n ASP 65 Ca 0.02 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1wxl n ASP 65 Cb 0.22 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.68 0.00 -0.39 -1.24 0.28 -0.76 -4.92 120.64 111.92 1wxl n GLU 66 Ca 0.06 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.13 1wxl n GLU 66 Cb 0.32 0.00 0.25 0.00 1.43 0.00 0.00 31.44 33.43 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 -0.66 3.13 -0.33 3.44 2.81 0.79 -4.52 117.12 121.78 1wxl n MET 67 Ca 0.00 -2.57 -0.00 0.00 -1.81 0.00 0.00 57.70 53.32 1wxl n MET 67 Cb 0.00 -1.66 0.04 0.00 -0.71 0.00 0.00 33.22 30.90 1wxl n MET 67 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1wxl n ARG 68 N 0.23 -0.19 -0.13 0.03 0.00 1.13 -2.56 116.66 115.18 1wxl n ARG 68 Ca 0.19 1.32 -0.24 0.00 -0.00 0.00 0.00 57.85 59.12 1wxl n ARG 68 Cb 0.73 -1.95 -0.10 0.00 -0.00 0.00 0.00 32.46 31.13 1wxl n ARG 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1wxl n ASN 69 N -5.27 1.95 -1.44 2.89 0.23 -1.26 -4.83 115.26 107.53 1wxl n ASN 69 Ca 0.09 0.14 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 1wxl n ASN 69 Cb 0.35 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 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 -3.79 -3.93 -3.68 -2.53 9.36 -1.06 -4.93 117.16 106.60 1wxl n TYR 70 Ca -0.49 2.13 -0.34 0.00 3.32 0.00 0.00 57.90 62.51 1wxl n TYR 70 Cb 0.91 -3.34 -0.05 0.00 -0.63 0.00 0.00 39.34 36.23 1wxl n TYR 70 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1wxl s LYS 71 N -5.17 3.66 -0.93 2.98 2.20 -1.26 -4.98 119.74 116.24 1wxl s LYS 71 Ca 0.00 0.03 -0.10 0.00 -0.36 0.00 0.00 55.97 55.54 1wxl s LYS 71 Cb 0.00 -3.04 -0.07 0.00 -1.51 0.00 0.00 37.83 33.21 1wxl s LYS 71 CO 0.00 0.60 2.10 -0.35 -0.36 0.00 0.00 175.35 177.35 1wxl n PRO 72 N 0.99 2.04 0.10 4.03 -0.04 -1.26 -4.55 135.00 136.31 1wxl n PRO 72 Ca -0.09 -1.61 -0.02 0.00 -0.04 0.00 0.00 63.50 61.74 1wxl n PRO 72 Cb 0.52 -2.59 0.24 0.00 -0.04 0.00 0.00 33.50 31.63 1wxl n PRO 72 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1wxl h GLU 73 N 6.60 0.21 -0.01 0.54 4.11 -2.02 -3.56 114.58 120.46 1wxl h GLU 73 Ca 0.50 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1wxl h GLU 73 Cb 0.29 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1wxl h GLU 73 CO 1.59 0.59 0.00 0.00 0.07 0.00 0.00 179.01 181.26