#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ux1 h ALA 23 N 0.00 0.69 -2.35 -1.18 0.00 -2.01 -3.45 119.26 110.96 2ux1 h ALA 23 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 54.91 53.91 2ux1 h ALA 23 Cb 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 17.58 2ux1 h ALA 23 CO 0.00 0.74 -0.55 0.16 0.00 0.00 0.00 179.25 179.60 2ux1 s ASP 24 N -6.94 1.63 0.24 0.00 -4.77 -1.26 -5.04 116.67 100.53 2ux1 s ASP 24 Ca -0.05 -1.57 -0.06 0.00 -3.30 0.00 0.00 52.55 47.56 2ux1 s ASP 24 Cb 0.11 0.40 0.28 0.00 -1.09 0.00 0.00 42.92 42.62 2ux1 s ASP 24 CO 0.83 -0.90 1.89 0.28 0.70 0.00 0.00 175.17 177.97 2ux1 h SER 25 N 2.18 0.99 -0.80 2.11 0.02 -1.92 -1.59 113.55 114.55 2ux1 h SER 25 Ca -0.33 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 2ux1 h SER 25 Cb 1.25 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 2ux1 h SER 25 CO 0.52 0.69 0.43 0.11 -1.14 0.00 0.00 176.83 177.43 2ux1 h LYS 26 N 1.16 1.12 -0.35 3.45 1.57 -1.98 -1.05 116.57 120.50 2ux1 h LYS 26 Ca 0.36 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2ux1 h LYS 26 Cb -0.01 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 2ux1 h LYS 26 CO -0.11 0.84 0.20 0.00 -0.57 0.00 0.00 179.45 179.80 2ux1 h ALA 27 N 1.22 0.45 -0.16 3.86 0.00 -1.70 -2.07 119.26 120.85 2ux1 h ALA 27 Ca 0.28 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 2ux1 h ALA 27 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2ux1 h ALA 27 CO -0.04 -0.04 -0.53 -0.39 0.00 0.00 0.00 179.25 178.25 2ux1 h VAL 28 N 0.45 1.33 -0.53 0.00 -1.51 -1.19 -1.07 116.25 113.72 2ux1 h VAL 28 Ca 0.12 -1.78 0.02 0.00 -1.23 0.00 0.00 66.70 63.84 2ux1 h VAL 28 Cb 0.04 1.78 -0.03 0.00 -2.13 0.00 0.00 31.29 30.94 2ux1 h VAL 28 CO -0.02 0.55 0.32 -0.07 -1.23 0.00 0.00 177.57 177.11 2ux1 h LEU 29 N 0.36 0.52 -0.73 4.19 3.38 -1.11 -1.03 115.31 120.90 2ux1 h LEU 29 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2ux1 h LEU 29 Cb 1.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2ux1 h LEU 29 CO 0.09 0.37 -0.34 -1.13 0.09 0.00 0.00 178.44 177.52 2ux1 h ASN 30 N 0.64 0.60 -0.33 -0.43 -0.73 -1.20 -1.71 115.58 112.42 2ux1 h ASN 30 Ca 0.21 -0.24 0.02 0.00 1.87 0.00 0.00 56.30 58.15 2ux1 h ASN 30 Cb 0.02 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 2ux1 h ASN 30 CO -0.09 0.90 0.18 -0.61 -0.37 0.00 0.00 177.43 177.44 2ux1 h GLN 31 N 0.49 0.37 -0.94 6.67 5.75 -0.93 -2.22 115.11 124.30 2ux1 h GLN 31 Ca 0.05 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 2ux1 h GLN 31 Cb 0.83 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.24 2ux1 h GLN 31 CO 0.07 0.24 0.61 0.00 -2.65 0.00 0.00 178.83 177.10 2ux1 h ALA 32 N 1.15 1.23 -0.53 3.38 0.00 -0.92 -0.26 119.26 123.32 2ux1 h ALA 32 Ca 0.13 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2ux1 h ALA 32 Cb 0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 2ux1 h ALA 32 CO -0.07 0.50 0.24 0.28 0.00 0.00 0.00 179.25 180.20 2ux1 h VAL 33 N 1.20 0.90 0.16 0.00 2.07 -0.95 0.58 116.25 120.21 2ux1 h VAL 33 Ca 0.37 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 2ux1 h VAL 33 Cb -0.02 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2ux1 h VAL 33 CO -0.11 0.09 -0.08 0.00 0.02 0.00 0.00 177.57 177.49 2ux1 h ALA 34 N 1.31 -0.21 -0.32 1.67 0.00 -0.91 -2.44 119.26 118.36 2ux1 h ALA 34 Ca 0.24 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2ux1 h ALA 34 Cb 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2ux1 h ALA 34 CO -0.20 -0.56 -0.23 -0.44 0.00 0.00 0.00 179.25 177.83 2ux1 h ASP 35 N -0.33 0.62 0.38 0.00 3.32 -0.80 -2.02 116.42 117.58 2ux1 h ASP 35 Ca -0.02 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.70 2ux1 h ASP 35 Cb 0.26 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2ux1 h ASP 35 CO 0.04 0.84 -0.49 -0.07 -1.72 0.00 0.00 179.24 177.83 2ux1 h LEU 36 N 0.54 0.14 -0.34 1.55 3.38 0.15 0.65 115.31 121.38 2ux1 h LEU 36 Ca 0.08 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2ux1 h LEU 36 Cb 0.69 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2ux1 h LEU 36 CO 0.05 0.62 -0.13 0.28 0.09 0.00 0.00 178.44 179.35 2ux1 h SER 37 N 0.11 0.71 -0.38 -0.43 0.02 -1.10 -0.29 113.55 112.18 2ux1 h SER 37 Ca 0.00 -0.39 -0.12 0.00 -0.84 0.00 0.00 61.79 60.44 2ux1 h SER 37 Cb 0.91 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2ux1 h SER 37 CO 0.07 0.94 -0.25 0.58 -1.14 0.00 0.00 176.83 177.03 2ux1 h VAL 38 N 0.47 1.28 -0.88 2.27 2.07 -1.25 -2.55 116.25 117.67 2ux1 h VAL 38 Ca 0.08 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.21 2ux1 h VAL 38 Cb 0.65 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2ux1 h VAL 38 CO 0.04 0.46 0.58 0.00 0.02 0.00 0.00 177.57 178.68 2ux1 h ALA 39 N 0.78 1.11 -0.33 1.67 0.00 -0.76 -1.11 119.26 120.64 2ux1 h ALA 39 Ca 0.08 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2ux1 h ALA 39 Cb 0.81 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2ux1 h ALA 39 CO 0.07 0.51 -0.08 1.25 0.00 0.00 0.00 179.25 181.00 2ux1 h HIS 40 N 1.19 -0.17 -0.65 0.00 6.17 -0.95 -0.49 115.15 120.24 2ux1 h HIS 40 Ca 0.32 0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.47 2ux1 h HIS 40 Cb -0.14 0.13 -0.05 0.00 2.52 0.00 0.00 27.41 29.88 2ux1 h HIS 40 CO -0.01 -0.14 0.39 1.03 0.71 0.00 0.00 177.93 179.91 2ux1 h SER 41 N -0.00 0.62 -0.19 3.26 0.87 -0.85 0.21 113.55 117.46 2ux1 h SER 41 Ca 0.16 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2ux1 h SER 41 Cb 0.24 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2ux1 h SER 41 CO -0.34 0.42 0.07 0.40 -0.53 0.00 0.00 176.83 176.85 2ux1 h ILE 42 N 0.75 1.17 -0.91 2.23 2.04 -0.93 0.13 117.51 121.99 2ux1 h ILE 42 Ca 0.27 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2ux1 h ILE 42 Cb 0.08 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2ux1 h ILE 42 CO -0.13 0.16 0.55 -0.07 0.00 0.00 0.00 178.15 178.66 2ux1 h LEU 43 N 0.15 1.09 -0.65 1.44 3.38 -0.63 -1.21 115.31 118.87 2ux1 h LEU 43 Ca 0.06 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2ux1 h LEU 43 Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2ux1 h LEU 43 CO -0.00 0.83 -0.07 -0.74 0.09 0.00 0.00 178.44 178.55 2ux1 h HIS 44 N 1.25 1.08 -0.46 1.13 2.76 -0.19 -0.96 115.15 119.77 2ux1 h HIS 44 Ca 0.33 -0.20 0.09 0.00 -2.20 0.00 0.00 60.37 58.38 2ux1 h HIS 44 Cb -0.06 -0.28 -0.08 0.00 1.55 0.00 0.00 27.41 28.55 2ux1 h HIS 44 CO 0.00 1.00 -0.01 0.37 -1.30 0.00 0.00 177.93 177.99 2ux1 h GLN 45 N 0.89 0.10 -0.54 5.26 4.15 -0.29 -2.14 115.11 122.54 2ux1 h GLN 45 Ca 0.15 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 2ux1 h GLN 45 Cb 0.61 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 2ux1 h GLN 45 CO 0.04 0.07 0.20 0.28 -1.93 0.00 0.00 178.83 177.48 2ux1 h VAL 46 N 0.10 1.23 -0.81 2.39 2.07 -0.65 -1.12 116.25 119.46 2ux1 h VAL 46 Ca 0.23 -0.73 0.16 0.00 0.82 0.00 0.00 66.70 67.18 2ux1 h VAL 46 Cb 0.34 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 30.70 2ux1 h VAL 46 CO -0.39 0.28 0.35 -0.74 0.02 0.00 0.00 177.57 177.09 2ux1 h HIS 47 N 0.74 0.61 0.16 1.57 -0.00 -0.90 -2.09 115.15 115.24 2ux1 h HIS 47 Ca 0.18 0.04 -0.27 0.00 -0.00 0.00 0.00 60.37 60.31 2ux1 h HIS 47 Cb 0.23 -0.15 0.01 0.00 -0.00 0.00 0.00 27.41 27.51 2ux1 h HIS 47 CO 0.01 0.08 -1.30 -1.49 -0.00 0.00 0.00 177.93 175.22 2ux1 h TRP 48 N 0.49 0.61 -0.00 5.26 6.55 -0.93 -3.38 115.95 124.54 2ux1 h TRP 48 Ca 0.45 -0.45 0.00 0.00 0.95 0.00 0.00 58.89 59.85 2ux1 h TRP 48 Cb 0.71 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.98 2ux1 h TRP 48 CO -0.14 1.51 -0.48 0.66 -1.05 0.00 0.00 178.44 178.94 2ux1 n TYR 49 N -3.90 0.00 -1.63 0.49 4.01 -0.47 -4.94 117.16 110.72 2ux1 n TYR 49 Ca -0.20 0.00 -0.51 0.00 -0.16 0.00 0.00 57.90 57.02 2ux1 n TYR 49 Cb 0.94 -0.18 -0.06 0.00 -0.31 0.00 0.00 39.34 39.74 2ux1 n TYR 49 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 2ux1 n MET 50 N -1.19 1.44 -3.80 -0.72 1.56 -0.79 -4.42 117.12 109.19 2ux1 n MET 50 Ca 0.07 0.52 -0.13 0.00 -0.27 0.00 0.00 57.70 57.90 2ux1 n MET 50 Cb 0.34 -2.21 -0.13 0.00 2.15 0.00 0.00 33.22 33.37 2ux1 n MET 50 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2ux1 s ARG 51 N 1.33 0.14 0.00 2.12 0.52 -1.26 -5.03 118.95 116.77 2ux1 s ARG 51 Ca 0.86 0.26 0.00 0.00 -0.52 0.00 0.00 55.73 56.33 2ux1 s ARG 51 Cb -0.90 -0.01 0.00 0.00 0.52 0.00 0.00 34.95 34.56 2ux1 s ARG 51 CO 0.48 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 176.14 2ux1 n GLY 52 N 3.44 3.31 3.73 -3.53 0.00 -1.26 -3.76 105.19 107.12 2ux1 n GLY 52 Ca -0.17 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 2ux1 n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ux1 s ARG 53 N -2.50 4.15 0.00 1.61 1.81 -1.26 -1.56 118.95 121.20 2ux1 s ARG 53 Ca 0.00 2.54 0.00 0.00 -1.72 0.00 0.00 55.73 56.55 2ux1 s ARG 53 Cb 0.00 -3.08 0.00 0.00 -0.45 0.00 0.00 34.95 31.42 2ux1 s ARG 53 CO 0.00 -0.68 0.00 0.41 -0.68 0.00 0.00 175.30 174.35 2ux1 n GLY 54 N 3.43 0.77 0.27 -3.53 0.00 -1.26 -4.92 105.19 99.94 2ux1 n GLY 54 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 2ux1 n GLY 54 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ux1 h PHE 55 N 0.00 -0.51 0.00 1.61 3.57 -1.67 0.02 116.94 119.97 2ux1 h PHE 55 Ca 0.00 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2ux1 h PHE 55 Cb 0.00 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2ux1 h PHE 55 CO 0.00 -0.30 -0.09 1.98 -2.23 0.00 0.00 178.31 177.67 2ux1 h MET 56 N -0.08 0.00 0.08 1.11 4.05 -1.94 0.19 114.93 118.35 2ux1 h MET 56 Ca 0.25 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.54 2ux1 h MET 56 Cb 0.47 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.28 2ux1 h MET 56 CO -0.60 0.09 -0.60 0.82 0.23 0.00 0.00 176.91 176.86 2ux1 h ILE 57 N 0.00 1.54 0.00 1.77 5.03 -1.88 -3.40 117.51 120.56 2ux1 h ILE 57 Ca -0.00 -2.44 -0.18 0.00 -0.12 0.00 0.00 64.86 62.12 2ux1 h ILE 57 Cb 0.18 3.17 -0.03 0.00 -3.03 0.00 0.00 36.82 37.11 2ux1 h ILE 57 CO 0.01 0.65 -1.09 -0.50 -0.68 0.00 0.00 178.15 176.54 2ux1 h TRP 58 N -0.63 0.00 0.29 1.37 4.06 0.03 -3.00 115.95 118.07 2ux1 h TRP 58 Ca -0.12 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.83 2ux1 h TRP 58 Cb 1.40 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.53 2ux1 h TRP 58 CO 0.22 0.72 -0.40 1.25 -3.56 0.00 0.00 178.44 176.66 2ux1 h HIS 59 N 0.00 -1.14 0.00 0.49 2.76 -0.88 -1.79 115.15 114.59 2ux1 h HIS 59 Ca -0.10 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 2ux1 h HIS 59 Cb 1.64 0.46 -0.00 0.00 1.55 0.00 0.00 27.41 31.06 2ux1 h HIS 59 CO 0.00 -0.51 -0.08 -1.00 -1.30 0.00 0.00 177.93 175.04 2ux1 h PRO 60 N -0.72 0.00 -0.50 5.26 0.13 -1.78 -2.42 132.00 131.96 2ux1 h PRO 60 Ca -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 2ux1 h PRO 60 Cb 0.66 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 2ux1 h PRO 60 CO -0.11 0.08 0.19 -0.22 -0.23 0.00 0.00 178.00 177.71 2ux1 h LYS 61 N 0.00 0.72 -0.40 0.86 1.63 -1.33 -2.45 116.57 115.61 2ux1 h LYS 61 Ca -0.00 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 2ux1 h LYS 61 Cb 0.18 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 2ux1 h LYS 61 CO 0.01 0.60 0.11 0.52 -3.45 0.00 0.00 179.45 177.24 2ux1 h MET 62 N 0.72 0.58 -0.16 1.90 2.86 -0.81 -1.11 114.93 118.91 2ux1 h MET 62 Ca 0.17 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2ux1 h MET 62 Cb 0.16 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 2ux1 h MET 62 CO -0.02 0.53 -0.06 -0.44 1.06 0.00 0.00 176.91 177.98 2ux1 h ASP 63 N 0.57 -0.22 -0.31 1.22 3.32 -1.50 0.18 116.42 119.68 2ux1 h ASP 63 Ca 0.13 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.26 2ux1 h ASP 63 Cb 0.20 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2ux1 h ASP 63 CO -0.01 -0.08 0.17 -0.33 -1.72 0.00 0.00 179.24 177.27 2ux1 h GLU 64 N -0.04 0.34 -0.38 3.56 5.08 -1.09 0.68 114.58 122.73 2ux1 h GLU 64 Ca 0.09 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2ux1 h GLU 64 Cb 0.17 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2ux1 h GLU 64 CO -0.19 0.22 0.25 1.88 -1.00 0.00 0.00 179.01 180.17 2ux1 h TYR 65 N 0.35 0.47 -0.54 4.33 0.05 -1.02 -1.73 116.97 118.88 2ux1 h TYR 65 Ca 0.13 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.93 2ux1 h TYR 65 Cb 0.02 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 2ux1 h TYR 65 CO -0.09 0.29 0.35 0.52 -1.05 0.00 0.00 178.16 178.19 2ux1 h MET 66 N 0.51 0.70 -0.64 4.88 2.86 -0.34 0.11 114.93 123.00 2ux1 h MET 66 Ca 0.14 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 2ux1 h MET 66 Cb -0.05 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.39 2ux1 h MET 66 CO -0.04 0.46 0.31 1.49 1.06 0.00 0.00 176.91 180.20 2ux1 h GLU 67 N 0.72 0.55 -0.14 1.72 4.81 -0.65 0.11 114.58 121.68 2ux1 h GLU 67 Ca 0.20 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2ux1 h GLU 67 Cb -0.07 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 2ux1 h GLU 67 CO -0.05 0.36 -0.04 1.49 -0.73 0.00 0.00 179.01 180.04 2ux1 h GLU 68 N 0.56 0.28 -0.66 1.92 4.81 -0.78 -2.05 114.58 118.67 2ux1 h GLU 68 Ca 0.31 -0.11 0.08 0.00 -0.13 0.00 0.00 59.36 59.51 2ux1 h GLU 68 Cb 0.28 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 2ux1 h GLU 68 CO -0.24 0.57 0.32 0.82 -0.73 0.00 0.00 179.01 179.76 2ux1 h ILE 69 N -0.04 0.87 0.00 2.32 1.08 -0.58 -0.76 117.51 120.41 2ux1 h ILE 69 Ca 0.03 -0.20 -0.03 0.00 -0.39 0.00 0.00 64.86 64.27 2ux1 h ILE 69 Cb 0.47 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 34.47 2ux1 h ILE 69 CO 0.02 0.10 -0.16 0.44 -0.69 0.00 0.00 178.15 177.86 2ux1 h ASP 70 N 0.57 0.00 -0.06 1.72 3.32 -0.66 -0.98 116.42 120.33 2ux1 h ASP 70 Ca 0.31 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 2ux1 h ASP 70 Cb 0.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2ux1 h ASP 70 CO -0.24 0.16 -0.01 1.23 -1.72 0.00 0.00 179.24 178.66 2ux1 h GLY 71 N 0.58 0.12 1.02 2.75 0.00 -0.41 -2.12 103.07 105.01 2ux1 h GLY 71 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2ux1 h GLY 71 CO 0.02 0.09 0.42 -0.97 0.00 0.00 0.00 176.54 176.10 2ux1 h TYR 72 N -0.22 1.08 -0.39 5.60 0.05 -1.19 -1.65 116.97 120.24 2ux1 h TYR 72 Ca 0.02 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.82 2ux1 h TYR 72 Cb 0.39 -0.34 -0.05 0.00 1.01 0.00 0.00 36.73 37.74 2ux1 h TYR 72 CO 0.05 0.76 0.11 1.25 -1.05 0.00 0.00 178.16 179.27 2ux1 h LEU 73 N 1.08 0.08 -0.41 3.88 6.46 -1.07 0.13 115.31 125.46 2ux1 h LEU 73 Ca 0.27 0.05 -0.18 0.00 -0.12 0.00 0.00 57.88 57.91 2ux1 h LEU 73 Cb 0.04 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2ux1 h LEU 73 CO -0.04 0.08 -0.65 -0.78 -0.62 0.00 0.00 178.44 176.43 2ux1 h ASP 74 N 0.25 0.63 -0.28 1.25 3.58 -1.17 -1.94 116.42 118.75 2ux1 h ASP 74 Ca 0.18 -0.38 -0.12 0.00 0.42 0.00 0.00 57.03 57.14 2ux1 h ASP 74 Cb 0.19 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ux1 h ASP 74 CO -0.21 1.11 -0.30 -0.33 -2.88 0.00 0.00 179.24 176.63 2ux1 h GLU 75 N 0.40 0.69 -0.31 0.28 4.39 -0.82 -1.76 114.58 117.45 2ux1 h GLU 75 Ca -0.02 -0.37 -0.13 0.00 0.34 0.00 0.00 59.36 59.18 2ux1 h GLU 75 Cb 1.22 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2ux1 h GLU 75 CO 0.12 0.99 -0.33 0.52 -1.16 0.00 0.00 179.01 179.15 2ux1 h MET 76 N 0.43 0.77 -0.61 2.33 2.86 -0.75 -0.66 114.93 119.29 2ux1 h MET 76 Ca 0.04 -0.42 -0.05 0.00 -2.06 0.00 0.00 59.70 57.22 2ux1 h MET 76 Cb 0.87 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 2ux1 h MET 76 CO 0.07 1.04 0.20 1.03 1.06 0.00 0.00 176.91 180.32 2ux1 h SER 77 N 0.53 0.88 0.65 1.22 0.87 -1.36 -1.61 113.55 114.73 2ux1 h SER 77 Ca 0.04 -0.20 -0.11 0.00 -1.23 0.00 0.00 61.79 60.30 2ux1 h SER 77 Cb 0.92 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2ux1 h SER 77 CO 0.08 0.85 -0.52 -0.33 -0.53 0.00 0.00 176.83 176.38 2ux1 h GLU 78 N 0.87 0.00 -0.40 2.24 5.08 -1.21 -0.70 114.58 120.47 2ux1 h GLU 78 Ca 0.20 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2ux1 h GLU 78 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2ux1 h GLU 78 CO -0.01 0.52 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.40 2ux1 h ARG 79 N 0.00 0.72 -0.52 2.33 9.65 -0.92 0.12 114.38 125.77 2ux1 h ARG 79 Ca -0.01 -0.25 0.02 0.00 -1.10 0.00 0.00 59.98 58.65 2ux1 h ARG 79 Cb 0.99 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.48 2ux1 h ARG 79 CO 0.07 0.83 0.32 1.25 2.80 0.00 0.00 179.97 185.24 2ux1 h LEU 80 N 0.55 0.53 -0.29 3.80 5.85 -0.73 0.49 115.31 125.51 2ux1 h LEU 80 Ca 0.11 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.86 2ux1 h LEU 80 Cb 0.53 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2ux1 h LEU 80 CO 0.03 0.37 0.10 0.40 -0.34 0.00 0.00 178.44 179.00 2ux1 h ILE 81 N 0.64 0.93 -0.66 4.05 2.04 -1.02 0.34 117.51 123.84 2ux1 h ILE 81 Ca 0.20 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 66.05 2ux1 h ILE 81 Cb -0.00 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 2ux1 h ILE 81 CO -0.08 0.04 0.35 0.74 0.00 0.00 0.00 178.15 179.21 2ux1 h THR 82 N 0.24 0.94 0.00 -0.27 2.02 -0.39 0.68 112.91 116.13 2ux1 h THR 82 Ca 0.13 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2ux1 h THR 82 Cb 0.09 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2ux1 h THR 82 CO -0.13 0.12 0.00 0.18 0.37 0.00 0.00 175.52 176.06 2ux1 n LEU 83 N -4.81 0.00 0.00 2.58 4.77 0.11 -4.85 117.00 114.79 2ux1 n LEU 83 Ca 0.08 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2ux1 n LEU 83 Cb 0.19 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2ux1 n LEU 83 CO 0.28 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2ux1 n GLY 84 N 0.03 0.83 2.21 -0.72 0.00 0.23 -5.07 105.19 102.70 2ux1 n GLY 84 Ca 0.12 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2ux1 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ux1 n GLY 85 N -2.32 -0.04 2.64 -0.02 0.00 0.12 -4.99 105.19 100.58 2ux1 n GLY 85 Ca 0.00 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 2ux1 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ux1 s ALA 86 N -3.35 1.37 0.51 4.61 0.00 -1.26 -4.33 121.76 119.30 2ux1 s ALA 86 Ca 0.40 -1.77 -0.21 0.00 0.00 0.00 0.00 51.96 50.37 2ux1 s ALA 86 Cb -0.02 -1.63 -0.06 0.00 0.00 0.00 0.00 23.12 21.41 2ux1 s ALA 86 CO 0.27 -1.82 1.17 -1.25 0.00 0.00 0.00 175.76 174.12 2ux1 s PRO 87 N 1.37 3.49 0.29 0.00 0.04 -1.26 -4.95 135.00 133.98 2ux1 s PRO 87 Ca 0.13 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.62 2ux1 s PRO 87 Cb -0.19 -2.19 -0.14 0.00 0.04 0.00 0.00 34.50 32.02 2ux1 s PRO 87 CO -0.18 -0.76 1.13 1.19 0.04 0.00 0.00 177.00 178.42 2ux1 n PHE 88 N -0.94 1.63 -2.14 0.56 3.72 -1.26 -4.90 117.46 114.13 2ux1 n PHE 88 Ca 0.10 0.64 -0.02 0.00 -0.05 0.00 0.00 57.45 58.12 2ux1 n PHE 88 Cb 0.49 -2.31 -0.03 0.00 -0.94 0.00 0.00 39.48 36.69 2ux1 n PHE 88 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2ux1 n SER 89 N 1.20 -0.19 -4.00 4.37 3.41 -1.26 -4.94 113.62 112.20 2ux1 n SER 89 Ca 0.09 -1.85 -0.09 0.00 -0.26 0.00 0.00 58.87 56.75 2ux1 n SER 89 Cb 0.33 0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.21 2ux1 n SER 89 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2ux1 s THR 90 N 0.00 0.16 0.41 6.66 -4.23 -1.26 -5.05 115.64 112.33 2ux1 s THR 90 Ca 0.10 -1.07 0.07 0.00 -1.18 0.00 0.00 61.69 59.61 2ux1 s THR 90 Cb 0.11 -0.49 0.25 0.00 1.34 0.00 0.00 72.50 73.71 2ux1 s THR 90 CO -0.05 -0.57 2.04 -0.07 -0.54 0.00 0.00 174.62 175.43 2ux1 h LEU 91 N 4.39 0.44 -0.24 4.79 3.38 -1.99 -1.76 115.31 124.32 2ux1 h LEU 91 Ca -0.33 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.64 2ux1 h LEU 91 Cb 1.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2ux1 h LEU 91 CO 0.45 0.35 0.11 0.50 0.09 0.00 0.00 178.44 179.94 2ux1 h LYS 92 N 0.51 0.23 -0.60 1.13 3.64 -1.99 0.20 116.57 119.69 2ux1 h LYS 92 Ca 0.13 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2ux1 h LYS 92 Cb 0.00 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2ux1 h LYS 92 CO -0.02 0.15 0.17 0.93 -2.27 0.00 0.00 179.45 178.40 2ux1 h GLU 93 N 0.24 0.95 0.48 1.90 5.08 -1.82 -1.89 114.58 119.51 2ux1 h GLU 93 Ca 0.10 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2ux1 h GLU 93 Cb 0.04 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2ux1 h GLU 93 CO -0.08 0.86 -0.23 0.74 -1.00 0.00 0.00 179.01 179.30 2ux1 h PHE 94 N 0.86 -0.59 -0.79 4.33 0.04 -1.07 -1.65 116.94 118.06 2ux1 h PHE 94 Ca 0.19 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.91 2ux1 h PHE 94 Cb 0.32 0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 2ux1 h PHE 94 CO 0.02 -0.35 0.37 1.03 -0.60 0.00 0.00 178.31 178.78 2ux1 h SER 95 N -0.68 1.04 0.78 2.17 0.87 -0.91 -0.11 113.55 116.70 2ux1 h SER 95 Ca -0.07 -0.13 -0.19 0.00 -1.23 0.00 0.00 61.79 60.17 2ux1 h SER 95 Cb 0.51 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2ux1 h SER 95 CO 0.11 0.89 -0.89 -0.33 -0.53 0.00 0.00 176.83 176.07 2ux1 h GLU 96 N 1.13 0.07 0.00 2.24 5.08 -1.36 -3.32 114.58 118.43 2ux1 h GLU 96 Ca 0.27 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2ux1 h GLU 96 Cb 0.13 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2ux1 h GLU 96 CO -0.03 0.91 -1.31 0.09 -1.00 0.00 0.00 179.01 177.67 2ux1 n ASN 97 N -3.55 0.70 -4.77 1.42 3.02 -0.62 -4.94 115.26 106.52 2ux1 n ASN 97 Ca -0.02 0.28 -0.39 0.00 -0.03 0.00 0.00 54.58 54.42 2ux1 n ASN 97 Cb 0.83 0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 40.59 2ux1 n ASN 97 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2ux1 s SER 98 N -5.34 7.05 0.00 6.41 0.15 -0.07 -4.88 113.70 117.02 2ux1 s SER 98 Ca -0.03 2.24 0.28 0.00 0.70 0.00 0.00 55.95 59.14 2ux1 s SER 98 Cb 0.10 -2.62 0.98 0.00 -1.71 0.00 0.00 66.02 62.77 2ux1 s SER 98 CO 0.82 -0.29 1.70 0.00 1.20 0.00 0.00 173.24 176.67 2ux1 n GLN 99 N 0.76 1.62 -3.28 5.44 1.13 -1.26 -4.87 117.38 116.92 2ux1 n GLN 99 Ca 0.01 -0.96 -0.35 0.00 -1.94 0.00 0.00 57.00 53.76 2ux1 n GLN 99 Cb 0.46 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 29.27 2ux1 n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2ux1 s LEU 100 N -2.05 4.28 -0.05 1.08 1.43 -1.26 -5.08 118.68 117.03 2ux1 s LEU 100 Ca 0.36 1.16 0.05 0.00 -1.03 0.00 0.00 54.13 54.67 2ux1 s LEU 100 Cb 0.21 -3.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 2ux1 s LEU 100 CO 0.35 0.03 -0.19 -0.54 0.23 0.00 0.00 176.35 176.23 2ux1 s LYS 101 N -2.20 2.49 -0.01 1.70 -0.14 -1.26 -5.07 119.74 115.24 2ux1 s LYS 101 Ca 0.42 -0.79 -0.00 0.00 -1.36 0.00 0.00 55.97 54.24 2ux1 s LYS 101 Cb -0.14 -2.28 -0.04 0.00 -1.68 0.00 0.00 37.83 33.69 2ux1 s LYS 101 CO 0.20 0.53 0.06 -1.21 -0.76 0.00 0.00 175.35 174.17 2ux1 s GLU 102 N -0.51 3.00 0.37 1.68 2.02 -1.26 -5.10 118.70 118.89 2ux1 s GLU 102 Ca 0.07 -0.50 0.09 0.00 0.02 0.00 0.00 54.97 54.64 2ux1 s GLU 102 Cb -0.11 -2.82 -0.07 0.00 0.10 0.00 0.00 34.13 31.23 2ux1 s GLU 102 CO 0.01 0.65 -0.05 0.14 0.02 0.00 0.00 175.26 176.02 2ux1 s VAL 103 N -1.15 2.19 0.45 2.63 -7.23 -1.26 -5.12 120.40 110.92 2ux1 s VAL 103 Ca 0.21 -2.12 -0.24 0.00 -1.81 0.00 0.00 61.98 58.02 2ux1 s VAL 103 Cb -0.12 -2.77 -0.07 0.00 0.56 0.00 0.00 36.38 33.98 2ux1 s VAL 103 CO 0.12 -0.14 1.25 -0.76 -0.31 0.00 0.00 175.10 175.26 2ux1 s LEU 104 N -3.65 4.06 0.25 1.32 1.43 -1.26 -4.95 118.68 115.88 2ux1 s LEU 104 Ca 0.33 2.51 -0.30 0.00 -1.03 0.00 0.00 54.13 55.64 2ux1 s LEU 104 Cb 0.05 -4.12 -0.11 0.00 0.03 0.00 0.00 46.19 42.04 2ux1 s LEU 104 CO 0.17 -1.01 1.53 -0.83 0.23 0.00 0.00 176.35 176.45 2ux1 s GLY 105 N -1.06 2.09 -0.10 -3.19 0.00 -1.26 -5.02 107.32 98.78 2ux1 s GLY 105 Ca 0.62 1.44 -0.02 0.00 0.00 0.00 0.00 44.72 46.76 2ux1 s GLY 105 CO 0.42 2.46 0.03 -0.35 0.00 0.00 0.00 173.10 175.65 2ux1 s ASP 106 N 0.56 1.86 0.34 1.64 -1.08 -1.26 -5.00 116.67 113.73 2ux1 s ASP 106 Ca 0.63 -0.26 0.25 0.00 -0.52 0.00 0.00 52.55 52.65 2ux1 s ASP 106 Cb -0.45 -0.41 1.19 0.00 -1.46 0.00 0.00 42.92 41.80 2ux1 s ASP 106 CO 0.43 -0.24 1.76 1.88 0.52 0.00 0.00 175.17 179.51 2ux1 h TYR 107 N 8.34 0.00 0.00 -5.34 0.05 -1.96 -3.13 116.97 114.93 2ux1 h TYR 107 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.61 2ux1 h TYR 107 Cb 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 2ux1 h TYR 107 CO 0.40 0.00 -0.46 -0.91 -1.05 0.00 0.00 178.16 176.15 2ux1 h ASN 108 N 0.00 0.00 -3.19 3.88 2.35 -1.95 -3.42 115.58 113.26 2ux1 h ASN 108 Ca 0.00 -0.13 -0.55 0.00 -0.55 0.00 0.00 56.30 55.06 2ux1 h ASN 108 Cb 0.19 0.00 0.09 0.00 0.05 0.00 0.00 38.32 38.66 2ux1 h ASN 108 CO 0.00 0.07 0.74 0.52 -1.65 0.00 0.00 177.43 177.11 2ux1 n VAL 109 N -2.24 1.26 -1.91 2.81 0.31 -1.19 -4.99 118.33 112.39 2ux1 n VAL 109 Ca 0.04 -0.31 -0.30 0.00 -0.01 0.00 0.00 64.34 63.75 2ux1 n VAL 109 Cb 0.45 -1.77 0.04 0.00 -0.91 0.00 0.00 33.84 31.65 2ux1 n VAL 109 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ux1 s THR 110 N -0.31 3.66 0.18 2.52 -4.23 -1.26 -4.60 115.64 111.60 2ux1 s THR 110 Ca 0.63 0.51 -0.15 0.00 -1.18 0.00 0.00 61.69 61.50 2ux1 s THR 110 Cb -0.55 -3.53 0.12 0.00 1.34 0.00 0.00 72.50 69.89 2ux1 s THR 110 CO 0.53 -0.69 1.67 0.40 -0.54 0.00 0.00 174.62 175.98 2ux1 h ILE 111 N -0.59 0.58 -0.41 2.99 1.08 -1.92 -1.13 117.51 118.12 2ux1 h ILE 111 Ca -0.45 -0.02 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 2ux1 h ILE 111 Cb 1.24 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2ux1 h ILE 111 CO 0.63 0.01 0.12 -0.33 -0.69 0.00 0.00 178.15 177.89 2ux1 h GLU 112 N 0.05 0.60 -0.30 2.37 3.07 -1.94 -0.29 114.58 118.14 2ux1 h GLU 112 Ca 0.23 -0.10 -0.18 0.00 -0.50 0.00 0.00 59.36 58.81 2ux1 h GLU 112 Cb 0.34 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2ux1 h GLU 112 CO -0.43 0.54 -0.52 0.93 -1.40 0.00 0.00 179.01 178.13 2ux1 h GLU 113 N 0.59 0.87 -0.61 2.33 5.08 -1.79 -2.02 114.58 119.03 2ux1 h GLU 113 Ca 0.14 -0.53 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 2ux1 h GLU 113 Cb 0.20 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2ux1 h GLU 113 CO -0.01 1.17 0.22 1.96 -1.00 0.00 0.00 179.01 181.35 2ux1 h GLN 114 N 0.67 0.93 -0.52 2.33 1.08 -0.59 -0.69 115.11 118.33 2ux1 h GLN 114 Ca 0.02 -0.18 -0.08 0.00 -1.45 0.00 0.00 58.65 56.96 2ux1 h GLN 114 Cb 1.12 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.38 2ux1 h GLN 114 CO 0.12 0.81 0.01 -0.07 -0.95 0.00 0.00 178.83 178.74 2ux1 h LEU 115 N 0.86 0.84 -1.00 1.46 3.38 -1.01 -1.65 115.31 118.18 2ux1 h LEU 115 Ca 0.20 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2ux1 h LEU 115 Cb 0.24 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2ux1 h LEU 115 CO -0.01 0.89 0.18 0.00 0.09 0.00 0.00 178.44 179.59 2ux1 h ALA 116 N 1.20 1.20 0.05 1.53 0.00 -1.10 -0.02 119.26 122.12 2ux1 h ALA 116 Ca 0.16 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2ux1 h ALA 116 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2ux1 h ALA 116 CO 0.02 0.56 -0.13 0.00 0.00 0.00 0.00 179.25 179.70 2ux1 h ARG 117 N 0.87 -0.24 -0.37 0.00 3.08 -0.56 -1.87 114.38 115.29 2ux1 h ARG 117 Ca 0.20 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.33 2ux1 h ARG 117 Cb 0.26 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 2ux1 h ARG 117 CO -0.01 -0.16 -0.02 0.28 -1.07 0.00 0.00 179.97 178.99 2ux1 h VAL 118 N -0.25 0.70 -0.67 2.04 2.07 -0.87 -1.82 116.25 117.45 2ux1 h VAL 118 Ca 0.03 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2ux1 h VAL 118 Cb 0.28 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 2ux1 h VAL 118 CO -0.09 0.01 0.29 0.58 0.02 0.00 0.00 177.57 178.38 2ux1 h VAL 119 N 0.08 0.77 -0.25 2.57 2.07 -0.81 0.21 116.25 120.89 2ux1 h VAL 119 Ca 0.18 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.39 2ux1 h VAL 119 Cb 0.26 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2ux1 h VAL 119 CO -0.32 0.09 -0.46 -0.33 0.02 0.00 0.00 177.57 176.57 2ux1 h GLU 120 N 0.48 0.65 -0.33 1.57 4.39 -0.64 0.20 114.58 120.90 2ux1 h GLU 120 Ca 0.34 -0.36 0.03 0.00 0.34 0.00 0.00 59.36 59.71 2ux1 h GLU 120 Cb 0.43 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 2ux1 h GLU 120 CO -0.31 0.97 0.15 0.28 -1.16 0.00 0.00 179.01 178.94 2ux1 h VAL 121 N 0.52 0.97 -0.76 3.13 2.07 -0.81 -1.79 116.25 119.58 2ux1 h VAL 121 Ca 0.03 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2ux1 h VAL 121 Cb 1.00 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2ux1 h VAL 121 CO 0.09 0.06 0.36 -0.26 0.02 0.00 0.00 177.57 177.84 2ux1 h PHE 122 N 0.32 1.11 -0.72 1.57 -1.00 -0.35 -0.69 116.94 117.18 2ux1 h PHE 122 Ca 0.14 -0.06 0.03 0.00 2.81 0.00 0.00 57.97 60.90 2ux1 h PHE 122 Cb 0.07 -0.34 -0.05 0.00 3.61 0.00 0.00 35.95 39.24 2ux1 h PHE 122 CO -0.11 0.82 0.45 0.00 -1.61 0.00 0.00 178.31 177.86 2ux1 h ARG 123 N 1.08 0.86 -0.14 1.51 3.08 -0.42 -0.37 114.38 119.97 2ux1 h ARG 123 Ca 0.26 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 2ux1 h ARG 123 Cb 0.13 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2ux1 h ARG 123 CO -0.03 0.57 0.05 -0.92 -1.07 0.00 0.00 179.97 178.56 2ux1 h TYR 124 N 0.88 0.23 -0.67 3.04 3.20 -0.84 -2.17 116.97 120.65 2ux1 h TYR 124 Ca 0.29 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.20 2ux1 h TYR 124 Cb 0.03 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 2ux1 h TYR 124 CO -0.04 0.33 0.37 -0.07 -1.64 0.00 0.00 178.16 177.12 2ux1 h LEU 125 N 0.06 0.55 -1.02 2.82 3.38 -0.88 0.12 115.31 120.34 2ux1 h LEU 125 Ca 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2ux1 h LEU 125 Cb 0.21 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2ux1 h LEU 125 CO -0.00 0.36 0.37 0.00 0.09 0.00 0.00 178.44 179.25 2ux1 h ALA 126 N 1.35 1.24 -0.51 1.53 0.00 -0.96 -0.35 119.26 121.56 2ux1 h ALA 126 Ca 0.30 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2ux1 h ALA 126 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2ux1 h ALA 126 CO -0.18 0.59 -0.08 0.00 0.00 0.00 0.00 179.25 179.58 2ux1 h ALA 127 N 1.35 0.69 -0.56 0.00 0.00 -0.58 -0.74 119.26 119.42 2ux1 h ALA 127 Ca 0.26 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ux1 h ALA 127 Cb 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2ux1 h ALA 127 CO -0.04 0.58 0.35 1.25 0.00 0.00 0.00 179.25 181.39 2ux1 h LEU 128 N 0.81 0.66 -0.94 0.00 5.85 -0.33 -1.85 115.31 119.51 2ux1 h LEU 128 Ca 0.13 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 2ux1 h LEU 128 Cb 0.63 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2ux1 h LEU 128 CO 0.04 0.51 -0.45 -0.26 -0.34 0.00 0.00 178.44 177.94 2ux1 h PHE 129 N 0.75 0.20 -0.49 1.25 0.04 -0.89 0.16 116.94 117.97 2ux1 h PHE 129 Ca 0.20 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.92 2ux1 h PHE 129 Cb -0.04 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2ux1 h PHE 129 CO -0.03 0.60 0.32 0.37 -0.60 0.00 0.00 178.31 178.97 2ux1 h GLN 130 N 0.14 0.64 -0.62 1.51 5.75 -0.93 0.83 115.11 122.43 2ux1 h GLN 130 Ca 0.01 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.39 2ux1 h GLN 130 Cb 0.86 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.24 2ux1 h GLN 130 CO 0.07 0.43 0.05 0.87 -2.65 0.00 0.00 178.83 177.60 2ux1 h LYS 131 N 0.66 1.05 -0.73 1.69 6.56 -0.73 -1.26 116.57 123.81 2ux1 h LYS 131 Ca 0.18 -0.30 -0.07 0.00 -1.06 0.00 0.00 60.65 59.41 2ux1 h LYS 131 Cb -0.08 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 31.44 2ux1 h LYS 131 CO -0.04 0.99 0.20 0.78 -2.06 0.00 0.00 179.45 179.32 2ux1 h GLY 132 N 1.02 1.24 0.91 3.86 0.00 -0.54 -0.79 103.07 108.78 2ux1 h GLY 132 Ca 0.18 -0.76 0.01 0.00 0.00 0.00 0.00 47.33 46.76 2ux1 h GLY 132 CO 0.02 0.71 -0.01 -2.75 0.00 0.00 0.00 176.54 174.51 2ux1 h PHE 133 N 1.10 -0.03 -0.01 5.60 3.57 -0.49 -1.37 116.94 125.31 2ux1 h PHE 133 Ca 0.23 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 2ux1 h PHE 133 Cb 0.35 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 2ux1 h PHE 133 CO 0.03 -0.02 0.00 -0.44 -2.23 0.00 0.00 178.31 175.65 2ux1 h ASP 134 N -0.01 0.01 -0.19 0.41 3.32 -1.07 -0.22 116.42 118.67 2ux1 h ASP 134 Ca 0.02 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.92 2ux1 h ASP 134 Cb 0.04 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2ux1 h ASP 134 CO -0.04 0.19 0.05 0.58 -1.72 0.00 0.00 179.24 178.29 2ux1 h VAL 135 N -0.16 0.93 -0.20 -1.35 2.07 -1.16 0.63 116.25 117.01 2ux1 h VAL 135 Ca 0.00 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 2ux1 h VAL 135 Cb 0.18 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2ux1 h VAL 135 CO -0.00 0.02 -0.29 0.77 0.02 0.00 0.00 177.57 178.09 2ux1 h SER 136 N 0.13 0.40 -0.55 0.57 4.64 -1.20 -2.00 113.55 115.54 2ux1 h SER 136 Ca 0.09 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 2ux1 h SER 136 Cb 0.07 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2ux1 h SER 136 CO -0.10 0.69 -0.05 -0.78 -0.87 0.00 0.00 176.83 175.71 2ux1 h ASP 137 N 0.35 1.00 -0.20 4.97 3.58 -0.78 0.43 116.42 125.76 2ux1 h ASP 137 Ca 0.05 -0.33 -0.02 0.00 0.42 0.00 0.00 57.03 57.15 2ux1 h ASP 137 Cb 0.70 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2ux1 h ASP 137 CO 0.05 1.09 0.07 -0.33 -2.88 0.00 0.00 179.24 177.24 2ux1 h GLU 138 N 0.88 0.37 -0.10 0.28 3.07 -0.53 -2.91 114.58 115.65 2ux1 h GLU 138 Ca 0.15 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 2ux1 h GLU 138 Cb 0.61 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 2ux1 h GLU 138 CO 0.04 0.34 0.00 0.39 -1.40 0.00 0.00 179.01 178.38 2ux1 n GLU 139 N -4.40 2.16 -1.09 2.33 1.02 -0.78 -4.95 120.64 114.92 2ux1 n GLU 139 Ca 0.01 -1.71 -0.03 0.00 -0.02 0.00 0.00 57.16 55.41 2ux1 n GLU 139 Cb 0.15 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 2ux1 n GLU 139 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ux1 n GLY 140 N 1.32 0.63 3.44 0.62 0.00 -0.80 -4.96 105.19 105.44 2ux1 n GLY 140 Ca 0.16 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 2ux1 n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ux1 s ASP 141 N -2.79 7.08 0.31 1.61 2.15 0.08 -4.85 116.67 120.26 2ux1 s ASP 141 Ca 0.00 -3.03 0.00 0.00 0.43 0.00 0.00 52.55 49.95 2ux1 s ASP 141 Cb 0.00 -2.36 0.50 0.00 -0.30 0.00 0.00 42.92 40.75 2ux1 s ASP 141 CO 0.00 -0.69 1.92 0.77 -0.17 0.00 0.00 175.17 177.01 2ux1 h SER 142 N 7.20 0.78 -0.01 -0.34 4.64 -1.93 -1.94 113.55 121.96 2ux1 h SER 142 Ca 0.28 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2ux1 h SER 142 Cb 0.89 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2ux1 h SER 142 CO 1.19 0.66 0.00 0.58 -0.87 0.00 0.00 176.83 178.38 2ux1 h VAL 143 N 0.87 1.16 -0.81 0.95 2.07 -1.96 -1.63 116.25 116.91 2ux1 h VAL 143 Ca 0.22 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 2ux1 h VAL 143 Cb 0.07 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2ux1 h VAL 143 CO -0.03 0.12 0.39 0.74 0.02 0.00 0.00 177.57 178.81 2ux1 h THR 144 N -0.19 1.25 -0.46 2.57 2.02 -1.93 -2.51 112.91 113.65 2ux1 h THR 144 Ca 0.00 -0.71 0.07 0.00 0.77 0.00 0.00 66.41 66.55 2ux1 h THR 144 Cb 0.20 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 66.76 2ux1 h THR 144 CO -0.00 0.30 0.10 -1.13 0.37 0.00 0.00 175.52 175.16 2ux1 h ASN 145 N 1.16 0.02 -0.69 4.18 -0.73 -1.16 -2.19 115.58 116.17 2ux1 h ASN 145 Ca 0.28 0.08 -0.07 0.00 1.87 0.00 0.00 56.30 58.46 2ux1 h ASN 145 Cb 0.12 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.78 2ux1 h ASN 145 CO -0.04 0.04 0.15 -0.78 -0.37 0.00 0.00 177.43 176.44 2ux1 h ASP 146 N 0.24 1.06 -0.12 1.15 3.58 -0.98 -1.37 116.42 119.97 2ux1 h ASP 146 Ca 0.23 -0.24 0.04 0.00 0.42 0.00 0.00 57.03 57.47 2ux1 h ASP 146 Cb 0.29 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 2ux1 h ASP 146 CO -0.29 1.03 -0.11 0.40 -2.88 0.00 0.00 179.24 177.39 2ux1 h ILE 147 N 1.04 0.69 -0.51 2.25 2.04 -1.05 -0.68 117.51 121.29 2ux1 h ILE 147 Ca 0.21 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 2ux1 h ILE 147 Cb 0.40 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2ux1 h ILE 147 CO 0.01 0.00 0.19 -0.26 0.00 0.00 0.00 178.15 178.09 2ux1 h PHE 148 N -0.13 0.74 -0.57 1.37 0.04 -1.33 -2.72 116.94 114.35 2ux1 h PHE 148 Ca 0.08 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 2ux1 h PHE 148 Cb 0.25 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2ux1 h PHE 148 CO -0.23 0.58 0.03 -0.97 -0.60 0.00 0.00 178.31 177.12 2ux1 h ASN 149 N 0.73 0.96 -0.37 2.17 -1.24 -0.66 -1.68 115.58 115.49 2ux1 h ASN 149 Ca 0.17 -0.29 -0.17 0.00 0.71 0.00 0.00 56.30 56.72 2ux1 h ASN 149 Cb 0.16 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 38.95 2ux1 h ASN 149 CO -0.01 1.02 -0.42 0.58 -1.29 0.00 0.00 177.43 177.30 2ux1 h VAL 150 N 0.87 1.27 -0.35 2.57 2.07 -1.06 -2.54 116.25 119.08 2ux1 h VAL 150 Ca 0.16 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 2ux1 h VAL 150 Cb 0.51 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2ux1 h VAL 150 CO 0.02 0.53 0.05 0.00 0.02 0.00 0.00 177.57 178.20 2ux1 h ALA 151 N 0.75 0.47 -0.70 1.67 0.00 -1.46 -2.81 119.26 117.18 2ux1 h ALA 151 Ca 0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2ux1 h ALA 151 Cb 1.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2ux1 h ALA 151 CO 0.10 0.18 0.20 -0.22 0.00 0.00 0.00 179.25 179.51 2ux1 h LYS 152 N 0.42 1.10 -0.36 0.00 3.64 -1.27 -1.44 116.57 118.66 2ux1 h LYS 152 Ca 0.11 -0.25 0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2ux1 h LYS 152 Cb 0.37 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 2ux1 h LYS 152 CO 0.01 0.95 0.01 0.00 -2.27 0.00 0.00 179.45 178.15 2ux1 h ALA 153 N 1.09 0.33 -0.23 5.00 0.00 -1.39 0.28 119.26 124.35 2ux1 h ALA 153 Ca 0.22 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2ux1 h ALA 153 Cb 0.33 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ux1 h ALA 153 CO -0.00 -0.39 -0.20 1.03 0.00 0.00 0.00 179.25 179.69 2ux1 h SER 154 N 0.11 0.56 -0.83 0.00 0.87 -1.28 -2.48 113.55 110.50 2ux1 h SER 154 Ca 0.18 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2ux1 h SER 154 Cb 0.24 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2ux1 h SER 154 CO -0.29 0.91 0.49 0.40 -0.53 0.00 0.00 176.83 177.82 2ux1 h ILE 155 N 0.23 1.23 -0.68 2.23 1.08 -1.07 -1.96 117.51 118.57 2ux1 h ILE 155 Ca 0.04 -0.52 -0.05 0.00 -0.39 0.00 0.00 64.86 63.94 2ux1 h ILE 155 Cb 0.74 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 2ux1 h ILE 155 CO 0.05 0.25 0.22 -0.33 -0.69 0.00 0.00 178.15 177.65 2ux1 h GLU 156 N 1.14 1.03 -0.46 2.37 5.08 -0.87 -0.38 114.58 122.49 2ux1 h GLU 156 Ca 0.30 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2ux1 h GLU 156 Cb -0.03 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2ux1 h GLU 156 CO -0.05 0.87 0.25 -0.22 -1.00 0.00 0.00 179.01 178.85 2ux1 h LYS 157 N 0.99 0.64 -0.64 2.33 3.64 -1.14 -2.02 116.57 120.38 2ux1 h LYS 157 Ca 0.22 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2ux1 h LYS 157 Cb 0.26 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2ux1 h LYS 157 CO -0.01 0.51 0.42 0.45 -2.27 0.00 0.00 179.45 178.55 2ux1 h HIS 158 N 0.60 0.79 -0.66 1.91 3.86 -0.90 -1.99 115.15 118.76 2ux1 h HIS 158 Ca 0.16 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.48 2ux1 h HIS 158 Cb 0.06 -0.27 -0.07 0.00 1.06 0.00 0.00 27.41 28.20 2ux1 h HIS 158 CO -0.02 0.49 0.31 0.82 0.86 0.00 0.00 177.93 180.39 2ux1 h ILE 159 N 0.85 0.84 -0.45 2.45 2.04 -0.76 0.13 117.51 122.61 2ux1 h ILE 159 Ca 0.24 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.94 2ux1 h ILE 159 Cb -0.07 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 2ux1 h ILE 159 CO -0.06 0.10 0.25 -0.25 0.00 0.00 0.00 178.15 178.18 2ux1 h TRP 160 N 0.54 0.46 -0.33 1.37 7.01 -0.76 0.30 115.95 124.53 2ux1 h TRP 160 Ca 0.32 0.02 -0.17 0.00 2.11 0.00 0.00 58.89 61.17 2ux1 h TRP 160 Cb 0.34 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.26 2ux1 h TRP 160 CO -0.12 0.25 -0.46 0.52 -2.79 0.00 0.00 178.44 175.85 2ux1 h MET 161 N 0.50 0.89 -0.28 2.65 0.00 -0.72 0.63 114.93 118.60 2ux1 h MET 161 Ca 0.19 -0.52 -0.02 0.00 0.00 0.00 0.00 59.70 59.35 2ux1 h MET 161 Cb 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 31.60 31.68 2ux1 h MET 161 CO -0.10 1.16 0.10 -0.07 0.00 0.00 0.00 176.91 178.00 2ux1 h LEU 162 N 0.69 0.40 -0.54 1.22 3.38 -0.90 -0.38 115.31 119.19 2ux1 h LEU 162 Ca 0.04 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2ux1 h LEU 162 Cb 1.06 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2ux1 h LEU 162 CO 0.11 0.47 0.34 1.56 0.09 0.00 0.00 178.44 181.00 2ux1 h GLN 163 N 0.30 0.66 -0.47 1.13 1.08 -0.84 -1.20 115.11 115.77 2ux1 h GLN 163 Ca 0.09 -0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.33 2ux1 h GLN 163 Cb 0.20 -0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 27.42 2ux1 h GLN 163 CO -0.01 0.43 0.12 0.00 -0.95 0.00 0.00 178.83 178.43 2ux1 h ALA 164 N 1.22 0.54 -0.97 3.87 0.00 -0.69 0.87 119.26 124.10 2ux1 h ALA 164 Ca 0.21 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2ux1 h ALA 164 Cb -0.02 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 2ux1 h ALA 164 CO -0.07 -0.28 0.63 1.49 0.00 0.00 0.00 179.25 181.01 2ux1 h GLU 165 N 0.26 1.08 0.00 0.00 4.57 -0.65 -1.28 114.58 118.57 2ux1 h GLU 165 Ca 0.23 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2ux1 h GLU 165 Cb 0.28 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2ux1 h GLU 165 CO -0.28 0.72 0.00 1.28 -1.18 0.00 0.00 179.01 179.55 2ux1 n LEU 166 N -4.50 0.00 0.00 1.64 4.77 -0.47 -4.87 117.00 113.57 2ux1 n LEU 166 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2ux1 n LEU 166 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2ux1 n LEU 166 CO 0.32 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2ux1 n GLY 167 N 0.71 0.44 3.51 -0.72 0.00 -0.48 -5.03 105.19 103.62 2ux1 n GLY 167 Ca 0.14 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 2ux1 n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ux1 s GLN 168 N -1.22 1.79 0.76 1.61 -0.21 0.18 -4.98 119.66 117.59 2ux1 s GLN 168 Ca 0.00 -1.81 -0.11 0.00 0.02 0.00 0.00 55.36 53.46 2ux1 s GLN 168 Cb 0.00 -1.78 0.05 0.00 1.00 0.00 0.00 33.01 32.28 2ux1 s GLN 168 CO 0.00 0.26 1.10 0.00 -2.12 0.00 0.00 175.29 174.53 2ux1 s ALA 169 N -2.53 2.24 0.25 6.09 0.00 -1.26 -2.96 121.76 123.59 2ux1 s ALA 169 Ca 0.31 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.58 2ux1 s ALA 169 Cb -0.02 -3.29 0.30 0.00 0.00 0.00 0.00 23.12 20.10 2ux1 s ALA 169 CO 0.16 -1.74 1.82 -1.35 0.00 0.00 0.00 175.76 174.65 2ux1 h PRO 170 N -0.96 1.02 -6.31 0.00 0.11 -1.88 -3.45 132.00 120.53 2ux1 h PRO 170 Ca -0.44 -0.18 -0.47 0.00 0.11 0.00 0.00 66.00 65.02 2ux1 h PRO 170 Cb 1.24 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2ux1 h PRO 170 CO 0.51 0.84 -0.84 1.63 -0.21 0.00 0.00 178.00 179.94 2ux1 n LYS 171 N -4.29 -4.36 0.00 1.05 5.02 -1.26 -4.86 118.16 109.46 2ux1 n LYS 171 Ca 0.06 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2ux1 n LYS 171 Cb 0.19 -5.01 0.00 0.00 -0.02 0.00 0.00 35.03 30.19 2ux1 n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16