#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ux1 n ASP 24 N 0.00 1.05 -0.28 0.00 5.68 -1.26 -5.02 116.55 116.71 2ux1 n ASP 24 Ca 0.00 -1.64 -0.05 0.00 -0.50 0.00 0.00 54.79 52.60 2ux1 n ASP 24 Cb 0.00 0.30 0.07 0.00 -1.14 0.00 0.00 41.12 40.35 2ux1 n ASP 24 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2ux1 h SER 25 N 0.48 0.94 -0.80 -1.12 0.02 -1.95 -2.55 113.55 108.57 2ux1 h SER 25 Ca -0.09 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2ux1 h SER 25 Cb 0.36 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 2ux1 h SER 25 CO 0.15 0.73 0.53 0.11 -1.14 0.00 0.00 176.83 177.21 2ux1 h LYS 26 N 1.07 0.94 -0.29 3.45 1.57 -1.98 0.78 116.57 122.11 2ux1 h LYS 26 Ca 0.28 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.82 2ux1 h LYS 26 Cb -0.03 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.07 2ux1 h LYS 26 CO -0.05 0.62 -0.55 0.00 -0.57 0.00 0.00 179.45 178.91 2ux1 h ALA 27 N 1.54 0.47 -0.20 3.86 0.00 -1.89 -1.84 119.26 121.19 2ux1 h ALA 27 Ca 0.32 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2ux1 h ALA 27 Cb 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ux1 h ALA 27 CO -0.10 0.68 -0.32 -0.24 0.00 0.00 0.00 179.25 179.27 2ux1 h VAL 28 N 0.67 1.33 -0.43 0.00 3.04 -1.03 -1.09 116.25 118.75 2ux1 h VAL 28 Ca 0.02 -1.53 0.09 0.00 -1.01 0.00 0.00 66.70 64.26 2ux1 h VAL 28 Cb 1.15 1.83 -0.09 0.00 -2.01 0.00 0.00 31.29 32.18 2ux1 h VAL 28 CO 0.12 0.47 -0.14 -0.07 -1.01 0.00 0.00 177.57 176.95 2ux1 h LEU 29 N 0.24 -0.49 -1.04 3.16 3.38 -0.90 0.75 115.31 120.41 2ux1 h LEU 29 Ca 0.02 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2ux1 h LEU 29 Cb 0.90 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2ux1 h LEU 29 CO 0.07 -0.17 0.13 -1.13 0.09 0.00 0.00 178.44 177.43 2ux1 h ASN 30 N -0.04 0.76 -0.67 -0.43 -0.73 -1.27 -1.08 115.58 112.12 2ux1 h ASN 30 Ca 0.21 -0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.24 2ux1 h ASN 30 Cb 0.36 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.72 2ux1 h ASN 30 CO -0.46 0.75 0.39 -0.61 -0.37 0.00 0.00 177.43 177.12 2ux1 h GLN 31 N 0.79 0.92 -0.54 6.67 5.75 -0.35 -2.01 115.11 126.35 2ux1 h GLN 31 Ca 0.17 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 2ux1 h GLN 31 Cb 0.29 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2ux1 h GLN 31 CO -0.00 0.68 0.12 0.00 -2.65 0.00 0.00 178.83 176.98 2ux1 h ALA 32 N 1.19 1.21 -0.63 3.38 0.00 -0.28 -0.58 119.26 123.55 2ux1 h ALA 32 Ca 0.24 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2ux1 h ALA 32 Cb 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 2ux1 h ALA 32 CO -0.04 0.54 0.35 0.28 0.00 0.00 0.00 179.25 180.38 2ux1 h VAL 33 N 0.79 0.98 -0.19 0.00 2.07 -0.54 0.27 116.25 119.64 2ux1 h VAL 33 Ca 0.17 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2ux1 h VAL 33 Cb 0.30 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2ux1 h VAL 33 CO -0.00 0.12 -0.10 0.00 0.02 0.00 0.00 177.57 177.61 2ux1 h ALA 34 N 1.32 0.26 -0.22 1.67 0.00 -0.66 -2.44 119.26 119.19 2ux1 h ALA 34 Ca 0.28 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2ux1 h ALA 34 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ux1 h ALA 34 CO -0.17 0.10 -0.48 -0.44 0.00 0.00 0.00 179.25 178.26 2ux1 h ASP 35 N 0.08 0.80 -0.44 0.00 3.32 -0.96 -2.40 116.42 116.83 2ux1 h ASP 35 Ca 0.04 -0.55 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 2ux1 h ASP 35 Cb 0.59 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2ux1 h ASP 35 CO 0.03 1.21 0.21 -0.07 -1.72 0.00 0.00 179.24 178.89 2ux1 h LEU 36 N 0.43 0.62 -0.49 1.55 3.38 -0.52 0.16 115.31 120.45 2ux1 h LEU 36 Ca 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2ux1 h LEU 36 Cb 1.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2ux1 h LEU 36 CO 0.11 0.55 0.22 0.28 0.09 0.00 0.00 178.44 179.69 2ux1 h SER 37 N 0.69 0.65 -0.09 -0.43 0.02 -1.30 -0.86 113.55 112.23 2ux1 h SER 37 Ca 0.17 -0.14 -0.19 0.00 -0.84 0.00 0.00 61.79 60.78 2ux1 h SER 37 Cb 0.12 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2ux1 h SER 37 CO -0.02 0.61 -0.66 0.58 -1.14 0.00 0.00 176.83 176.20 2ux1 h VAL 38 N 0.64 1.30 -0.45 2.27 2.07 -1.05 -2.82 116.25 118.22 2ux1 h VAL 38 Ca 0.17 -1.89 0.02 0.00 0.82 0.00 0.00 66.70 65.81 2ux1 h VAL 38 Cb 0.14 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2ux1 h VAL 38 CO -0.02 0.60 0.26 0.00 0.02 0.00 0.00 177.57 178.43 2ux1 h ALA 39 N 0.74 0.57 -0.34 1.67 0.00 -0.58 -1.62 119.26 119.69 2ux1 h ALA 39 Ca -0.02 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2ux1 h ALA 39 Cb 1.26 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2ux1 h ALA 39 CO 0.13 -0.07 -0.16 1.25 0.00 0.00 0.00 179.25 180.41 2ux1 h HIS 40 N 0.52 -0.38 -0.83 0.00 6.17 -1.13 0.13 115.15 119.62 2ux1 h HIS 40 Ca 0.18 0.04 0.07 0.00 0.71 0.00 0.00 60.37 61.37 2ux1 h HIS 40 Cb 0.03 0.22 -0.06 0.00 2.52 0.00 0.00 27.41 30.11 2ux1 h HIS 40 CO -0.07 -0.23 0.50 1.03 0.71 0.00 0.00 177.93 179.87 2ux1 h SER 41 N -0.10 0.77 -0.42 3.26 0.87 -1.19 -0.02 113.55 116.72 2ux1 h SER 41 Ca 0.17 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 2ux1 h SER 41 Cb 0.36 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2ux1 h SER 41 CO -0.40 0.48 0.05 0.40 -0.53 0.00 0.00 176.83 176.83 2ux1 h ILE 42 N 0.90 1.25 -0.44 2.23 2.04 -0.54 -1.45 117.51 121.49 2ux1 h ILE 42 Ca 0.37 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 2ux1 h ILE 42 Cb 0.22 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2ux1 h ILE 42 CO -0.19 0.31 0.14 -0.07 0.00 0.00 0.00 178.15 178.34 2ux1 h LEU 43 N 0.55 0.59 -0.78 1.44 3.38 -0.33 -1.91 115.31 118.25 2ux1 h LEU 43 Ca 0.13 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2ux1 h LEU 43 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2ux1 h LEU 43 CO 0.01 0.57 -0.57 -0.74 0.09 0.00 0.00 178.44 177.80 2ux1 h HIS 44 N 0.64 0.15 -0.26 1.13 2.76 -0.75 -1.40 115.15 117.42 2ux1 h HIS 44 Ca 0.15 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 2ux1 h HIS 44 Cb 0.19 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2ux1 h HIS 44 CO 0.01 0.66 -0.08 0.37 -1.30 0.00 0.00 177.93 177.59 2ux1 h GLN 45 N 0.09 0.52 -0.17 5.26 4.15 -0.58 -2.30 115.11 122.08 2ux1 h GLN 45 Ca -0.00 -0.21 0.03 0.00 0.77 0.00 0.00 58.65 59.24 2ux1 h GLN 45 Cb 1.03 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.66 2ux1 h GLN 45 CO 0.08 0.75 -0.03 0.28 -1.93 0.00 0.00 178.83 177.98 2ux1 h VAL 46 N 0.27 0.84 -0.79 2.39 2.07 -1.29 0.10 116.25 119.84 2ux1 h VAL 46 Ca 0.06 -0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.77 2ux1 h VAL 46 Cb 0.57 0.83 -0.13 0.00 -1.52 0.00 0.00 31.29 31.04 2ux1 h VAL 46 CO 0.03 0.00 0.15 -0.74 0.02 0.00 0.00 177.57 177.04 2ux1 h HIS 47 N 0.01 0.22 0.16 1.57 -0.00 -1.16 -1.62 115.15 114.34 2ux1 h HIS 47 Ca 0.08 0.05 -0.22 0.00 -0.00 0.00 0.00 60.37 60.28 2ux1 h HIS 47 Cb 0.12 0.03 0.02 0.00 -0.00 0.00 0.00 27.41 27.58 2ux1 h HIS 47 CO -0.19 -0.16 -1.00 -1.49 -0.00 0.00 0.00 177.93 175.09 2ux1 h TRP 48 N 0.21 0.63 -0.01 5.26 6.55 -0.86 -3.37 115.95 124.37 2ux1 h TRP 48 Ca 0.46 -0.46 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2ux1 h TRP 48 Cb 0.84 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 29.12 2ux1 h TRP 48 CO -0.30 1.38 -0.29 0.66 -1.05 0.00 0.00 178.44 178.84 2ux1 n TYR 49 N -4.03 0.00 -1.68 0.49 4.01 -0.03 -4.94 117.16 110.98 2ux1 n TYR 49 Ca -0.15 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.14 2ux1 n TYR 49 Cb 0.89 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 39.77 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 -0.60 2.38 -4.02 -0.72 1.56 -0.62 -4.48 117.12 110.62 2ux1 n MET 50 Ca 0.12 0.86 -0.13 0.00 -0.27 0.00 0.00 57.70 58.28 2ux1 n MET 50 Cb 0.36 -2.67 -0.13 0.00 2.15 0.00 0.00 33.22 32.93 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 1.54 0.30 0.00 2.12 0.52 -1.26 -5.02 118.95 117.14 2ux1 s ARG 51 Ca 0.80 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.67 2ux1 s ARG 51 Cb -0.62 -0.16 0.00 0.00 0.52 0.00 0.00 34.95 34.70 2ux1 s ARG 51 CO 0.38 0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.14 2ux1 n GLY 52 N 2.40 2.20 3.71 -3.53 0.00 -1.26 -3.52 105.19 105.19 2ux1 n GLY 52 Ca -0.17 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 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 -1.72 4.22 0.00 1.61 1.81 -1.26 -1.97 118.95 121.64 2ux1 s ARG 53 Ca 0.00 2.33 0.00 0.00 -1.72 0.00 0.00 55.73 56.34 2ux1 s ARG 53 Cb 0.00 -3.23 0.00 0.00 -0.45 0.00 0.00 34.95 31.27 2ux1 s ARG 53 CO 0.00 -0.61 0.00 0.41 -0.68 0.00 0.00 175.30 174.42 2ux1 n GLY 54 N 3.77 0.82 0.32 -3.53 0.00 -1.26 -4.90 105.19 100.41 2ux1 n GLY 54 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 0.84 0.00 1.61 3.57 -1.77 -0.38 116.94 120.81 2ux1 h PHE 55 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2ux1 h PHE 55 Cb 0.00 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 2ux1 h PHE 55 CO 0.00 0.14 -0.15 1.98 -2.23 0.00 0.00 178.31 178.05 2ux1 h MET 56 N 0.61 0.00 0.02 1.11 4.05 -1.94 0.15 114.93 118.93 2ux1 h MET 56 Ca 0.53 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.59 2ux1 h MET 56 Cb 0.84 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.58 2ux1 h MET 56 CO -0.41 0.15 -2.22 0.44 0.23 0.00 0.00 176.91 175.09 2ux1 n ILE 57 N -3.77 1.52 0.04 1.77 -5.35 -0.73 -4.50 119.36 108.34 2ux1 n ILE 57 Ca -0.02 -0.74 -0.04 0.00 -0.27 0.00 0.00 62.75 61.68 2ux1 n ILE 57 Cb 0.25 -1.02 -0.09 0.00 -1.74 0.00 0.00 39.64 37.04 2ux1 n ILE 57 CO 0.00 0.00 0.00 -0.50 -1.76 0.00 0.00 176.55 174.29 2ux1 h TRP 58 N 0.01 0.00 0.48 4.28 4.06 -0.85 -2.95 115.95 120.98 2ux1 h TRP 58 Ca -0.49 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.45 2ux1 h TRP 58 Cb 2.08 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 30.22 2ux1 h TRP 58 CO 0.02 0.81 -0.40 1.25 -3.56 0.00 0.00 178.44 176.56 2ux1 h HIS 59 N 0.00 -1.07 -0.08 0.49 2.76 -0.92 -2.15 115.15 114.19 2ux1 h HIS 59 Ca -0.14 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 57.96 2ux1 h HIS 59 Cb 1.74 0.40 -0.01 0.00 1.55 0.00 0.00 27.41 31.10 2ux1 h HIS 59 CO 0.00 -0.56 -0.27 -1.00 -1.30 0.00 0.00 177.93 174.80 2ux1 h PRO 60 N -0.87 0.15 -0.81 5.26 0.13 -1.79 -2.87 132.00 131.21 2ux1 h PRO 60 Ca -0.05 -0.05 0.11 0.00 -0.87 0.00 0.00 66.00 65.14 2ux1 h PRO 60 Cb 0.75 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.81 2ux1 h PRO 60 CO -0.02 0.41 0.53 -0.22 -0.23 0.00 0.00 178.00 178.47 2ux1 h LYS 61 N 0.14 0.67 -0.69 0.86 1.63 -1.32 -1.34 116.57 116.51 2ux1 h LYS 61 Ca 0.02 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2ux1 h LYS 61 Cb 0.55 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 2ux1 h LYS 61 CO 0.04 0.44 0.39 0.52 -3.45 0.00 0.00 179.45 177.39 2ux1 h MET 62 N 0.69 0.95 -0.68 1.90 2.86 -1.15 -1.41 114.93 118.09 2ux1 h MET 62 Ca 0.38 -0.10 0.07 0.00 -2.06 0.00 0.00 59.70 57.99 2ux1 h MET 62 Cb 0.53 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 2ux1 h MET 62 CO -0.15 0.69 0.37 -0.44 1.06 0.00 0.00 176.91 178.44 2ux1 h ASP 63 N 0.96 0.53 -0.31 1.22 3.32 -1.32 0.64 116.42 121.46 2ux1 h ASP 63 Ca 0.25 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 2ux1 h ASP 63 Cb 0.01 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2ux1 h ASP 63 CO -0.04 0.33 0.19 -0.33 -1.72 0.00 0.00 179.24 177.67 2ux1 h GLU 64 N 0.67 0.42 -0.63 3.56 5.08 -1.06 -1.90 114.58 120.71 2ux1 h GLU 64 Ca 0.31 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 2ux1 h GLU 64 Cb 0.23 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2ux1 h GLU 64 CO -0.20 0.32 0.23 1.88 -1.00 0.00 0.00 179.01 180.24 2ux1 h TYR 65 N 0.40 0.98 -0.51 4.33 0.05 -0.97 -2.02 116.97 119.23 2ux1 h TYR 65 Ca 0.11 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 2ux1 h TYR 65 Cb 0.01 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 2ux1 h TYR 65 CO -0.04 0.79 0.08 0.52 -1.05 0.00 0.00 178.16 178.46 2ux1 h MET 66 N 0.89 0.80 -0.50 4.88 2.86 -0.71 -0.81 114.93 122.35 2ux1 h MET 66 Ca 0.21 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2ux1 h MET 66 Cb 0.24 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2ux1 h MET 66 CO -0.01 0.75 -0.13 0.93 1.06 0.00 0.00 176.91 179.51 2ux1 h GLU 67 N 0.77 0.94 0.20 1.72 3.07 -1.11 -0.23 114.58 119.94 2ux1 h GLU 67 Ca 0.16 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 2ux1 h GLU 67 Cb 0.34 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2ux1 h GLU 67 CO 0.01 1.00 -0.10 1.49 -1.40 0.00 0.00 179.01 180.01 2ux1 h GLU 68 N 0.83 -0.26 -0.41 2.33 4.81 -1.08 -0.88 114.58 119.93 2ux1 h GLU 68 Ca 0.13 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.45 2ux1 h GLU 68 Cb 0.67 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.04 2ux1 h GLU 68 CO 0.05 -0.02 -0.00 0.82 -0.73 0.00 0.00 179.01 179.12 2ux1 h ILE 69 N -0.47 0.69 -0.12 2.32 1.08 -1.07 -0.68 117.51 119.25 2ux1 h ILE 69 Ca -0.03 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 64.38 2ux1 h ILE 69 Cb 0.35 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 2ux1 h ILE 69 CO 0.05 0.02 -0.06 0.44 -0.69 0.00 0.00 178.15 177.90 2ux1 h ASP 70 N 0.10 0.16 0.11 1.72 3.32 -1.01 0.85 116.42 121.69 2ux1 h ASP 70 Ca 0.20 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2ux1 h ASP 70 Cb 0.29 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2ux1 h ASP 70 CO -0.34 0.26 -0.12 1.23 -1.72 0.00 0.00 179.24 178.55 2ux1 h GLY 71 N 0.52 -0.24 0.95 2.75 0.00 0.32 -1.80 103.07 105.58 2ux1 h GLY 71 Ca 0.04 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 2ux1 h GLY 71 CO 0.01 -0.12 0.14 -0.97 0.00 0.00 0.00 176.54 175.60 2ux1 h TYR 72 N -0.25 0.69 -0.25 5.60 0.05 -0.62 -2.50 116.97 119.68 2ux1 h TYR 72 Ca 0.01 -0.07 0.06 0.00 0.05 0.00 0.00 58.73 58.78 2ux1 h TYR 72 Cb 0.25 -0.20 -0.08 0.00 1.01 0.00 0.00 36.73 37.71 2ux1 h TYR 72 CO -0.12 0.62 -0.36 1.25 -1.05 0.00 0.00 178.16 178.50 2ux1 h LEU 73 N 0.55 -1.17 -0.87 3.88 5.85 -0.71 0.14 115.31 122.99 2ux1 h LEU 73 Ca 0.14 0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.97 2ux1 h LEU 73 Cb 0.25 0.51 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2ux1 h LEU 73 CO -0.01 -0.37 0.11 -0.78 -0.34 0.00 0.00 178.44 177.06 2ux1 h ASP 74 N -0.37 0.90 -0.32 1.25 3.58 -1.26 -0.84 116.42 119.37 2ux1 h ASP 74 Ca 0.12 -0.19 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 2ux1 h ASP 74 Cb 0.57 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2ux1 h ASP 74 CO -0.45 0.90 -0.17 -0.08 -2.88 0.00 0.00 179.24 176.55 2ux1 h GLU 75 N 0.90 0.67 -0.16 0.28 4.81 -0.95 -1.04 114.58 119.09 2ux1 h GLU 75 Ca 0.19 -0.30 -0.10 0.00 -0.13 0.00 0.00 59.36 59.02 2ux1 h GLU 75 Cb 0.38 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 2ux1 h GLU 75 CO 0.01 0.90 -0.28 0.52 -0.73 0.00 0.00 179.01 179.42 2ux1 h MET 76 N 0.44 0.48 -0.45 1.92 2.86 -0.65 -0.82 114.93 118.71 2ux1 h MET 76 Ca 0.07 -0.30 0.07 0.00 -2.06 0.00 0.00 59.70 57.48 2ux1 h MET 76 Cb 0.71 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.34 2ux1 h MET 76 CO 0.05 0.90 0.12 1.03 1.06 0.00 0.00 176.91 180.07 2ux1 h SER 77 N 0.11 0.08 0.77 1.22 0.87 -1.18 -1.19 113.55 114.23 2ux1 h SER 77 Ca 0.01 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 2ux1 h SER 77 Cb 0.86 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2ux1 h SER 77 CO 0.06 0.08 -0.45 -0.33 -0.53 0.00 0.00 176.83 175.66 2ux1 h GLU 78 N 0.27 0.00 -0.70 2.24 5.08 -1.11 -1.34 114.58 119.02 2ux1 h GLU 78 Ca 0.22 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2ux1 h GLU 78 Cb 0.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2ux1 h GLU 78 CO -0.25 0.45 0.28 -0.09 -1.00 0.00 0.00 179.01 178.40 2ux1 h ARG 79 N 0.00 1.05 0.07 2.33 9.65 -0.73 -0.87 114.38 125.88 2ux1 h ARG 79 Ca -0.00 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 2ux1 h ARG 79 Cb 0.96 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 2ux1 h ARG 79 CO 0.06 0.87 -0.08 1.25 2.80 0.00 0.00 179.97 184.87 2ux1 h LEU 80 N 1.00 -0.22 -0.59 3.80 5.85 -0.42 -0.00 115.31 124.73 2ux1 h LEU 80 Ca 0.23 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.07 2ux1 h LEU 80 Cb 0.21 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 2ux1 h LEU 80 CO -0.02 -0.13 0.21 0.40 -0.34 0.00 0.00 178.44 178.57 2ux1 h ILE 81 N -0.18 0.77 -0.49 4.05 2.04 -1.19 -0.28 117.51 122.24 2ux1 h ILE 81 Ca 0.01 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2ux1 h ILE 81 Cb 0.18 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2ux1 h ILE 81 CO -0.03 0.07 0.29 0.74 0.00 0.00 0.00 178.15 179.21 2ux1 h THR 82 N 0.39 1.14 -0.00 -0.27 2.02 -0.61 -1.00 112.91 114.59 2ux1 h THR 82 Ca 0.30 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2ux1 h THR 82 Cb 0.36 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2ux1 h THR 82 CO -0.30 0.15 -0.01 0.18 0.37 0.00 0.00 175.52 175.91 2ux1 n LEU 83 N -4.43 0.08 0.00 2.58 4.77 -0.06 -4.88 117.00 115.06 2ux1 n LEU 83 Ca 0.04 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2ux1 n LEU 83 Cb 0.08 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2ux1 n LEU 83 CO 0.36 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2ux1 n GLY 84 N 1.18 0.94 2.78 -0.72 0.00 -0.38 -5.07 105.19 103.92 2ux1 n GLY 84 Ca 0.18 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.11 1.10 2.67 -0.02 0.00 -0.23 -5.00 105.19 101.60 2ux1 n GLY 85 Ca 0.00 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.88 1.29 0.56 4.61 0.00 -1.26 -4.33 121.76 119.74 2ux1 s ALA 86 Ca 0.46 -1.55 -0.20 0.00 0.00 0.00 0.00 51.96 50.67 2ux1 s ALA 86 Cb -0.03 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 2ux1 s ALA 86 CO 0.30 -1.69 1.22 -1.25 0.00 0.00 0.00 175.76 174.35 2ux1 s PRO 87 N 1.69 3.16 0.34 0.00 0.04 -1.26 -4.95 135.00 134.02 2ux1 s PRO 87 Ca 0.10 1.88 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 2ux1 s PRO 87 Cb -0.17 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 32.17 2ux1 s PRO 87 CO -0.27 -1.07 1.30 1.19 0.04 0.00 0.00 177.00 178.19 2ux1 n PHE 88 N -1.28 2.32 -2.05 0.56 3.72 -1.26 -4.91 117.46 114.55 2ux1 n PHE 88 Ca 0.12 0.55 -0.01 0.00 -0.05 0.00 0.00 57.45 58.06 2ux1 n PHE 88 Cb 0.49 -2.42 -0.01 0.00 -0.94 0.00 0.00 39.48 36.60 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 0.75 -0.05 -4.26 4.37 3.41 -1.26 -4.95 113.62 111.63 2ux1 n SER 89 Ca 0.04 -1.55 -0.16 0.00 -0.26 0.00 0.00 58.87 56.94 2ux1 n SER 89 Cb 0.36 -0.05 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 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 1.31 0.34 6.66 -4.23 -1.26 -5.05 115.64 113.41 2ux1 s THR 90 Ca 0.03 -1.91 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 2ux1 s THR 90 Cb 0.04 -1.71 0.19 0.00 1.34 0.00 0.00 72.50 72.37 2ux1 s THR 90 CO -0.02 -0.57 1.92 -0.07 -0.54 0.00 0.00 174.62 175.35 2ux1 h LEU 91 N 3.12 0.58 -0.45 4.79 3.38 -1.99 -1.64 115.31 123.10 2ux1 h LEU 91 Ca -0.38 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 2ux1 h LEU 91 Cb 1.20 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2ux1 h LEU 91 CO 0.57 0.55 0.25 0.07 0.09 0.00 0.00 178.44 179.97 2ux1 h LYS 92 N 0.62 0.62 -0.66 1.13 2.10 -1.98 0.22 116.57 118.62 2ux1 h LYS 92 Ca 0.15 -0.07 -0.03 0.00 -2.00 0.00 0.00 60.65 58.70 2ux1 h LYS 92 Cb 0.18 -0.12 -0.03 0.00 -0.90 0.00 0.00 32.23 31.36 2ux1 h LYS 92 CO -0.01 0.49 0.30 0.93 -2.00 0.00 0.00 179.45 179.16 2ux1 h GLU 93 N 0.58 0.96 0.23 0.07 5.08 -1.85 -1.49 114.58 118.17 2ux1 h GLU 93 Ca 0.16 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ux1 h GLU 93 Cb 0.05 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2ux1 h GLU 93 CO -0.03 0.78 -0.11 0.74 -1.00 0.00 0.00 179.01 179.39 2ux1 h PHE 94 N 0.91 -0.29 -0.68 4.33 0.04 -1.00 -2.00 116.94 118.25 2ux1 h PHE 94 Ca 0.22 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 2ux1 h PHE 94 Cb 0.15 0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 2ux1 h PHE 94 CO 0.01 -0.10 0.32 1.03 -0.60 0.00 0.00 178.31 178.97 2ux1 h SER 95 N -0.43 0.90 -0.08 2.17 0.87 -0.47 -1.97 113.55 114.56 2ux1 h SER 95 Ca -0.03 -0.14 -0.11 0.00 -1.23 0.00 0.00 61.79 60.28 2ux1 h SER 95 Cb 0.32 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2ux1 h SER 95 CO 0.05 0.78 -0.38 -0.33 -0.53 0.00 0.00 176.83 176.43 2ux1 h GLU 96 N 0.95 0.39 0.00 2.24 5.08 -1.32 -3.31 114.58 118.62 2ux1 h GLU 96 Ca 0.23 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2ux1 h GLU 96 Cb 0.13 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2ux1 h GLU 96 CO -0.03 0.96 -0.00 -0.91 -1.00 0.00 0.00 179.01 178.02 2ux1 h ASN 97 N -0.08 0.00 -3.89 1.42 2.35 -1.35 -3.46 115.58 110.58 2ux1 h ASN 97 Ca -0.03 -0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.23 2ux1 h ASN 97 Cb 1.03 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.41 2ux1 h ASN 97 CO 0.08 0.00 0.43 -0.55 -1.65 0.00 0.00 177.43 175.74 2ux1 s SER 98 N -5.26 7.02 0.12 5.81 0.15 -0.74 -4.90 113.70 115.90 2ux1 s SER 98 Ca 0.09 2.11 0.25 0.00 0.70 0.00 0.00 55.95 59.10 2ux1 s SER 98 Cb 0.09 -2.60 0.48 0.00 -1.71 0.00 0.00 66.02 62.28 2ux1 s SER 98 CO 0.63 -0.31 1.44 0.00 1.20 0.00 0.00 173.24 176.20 2ux1 n GLN 99 N 0.51 0.25 -2.72 5.44 1.13 -1.26 -4.89 117.38 115.84 2ux1 n GLN 99 Ca 0.02 0.10 -0.38 0.00 -1.94 0.00 0.00 57.00 54.80 2ux1 n GLN 99 Cb 0.48 -1.69 -0.06 0.00 0.11 0.00 0.00 30.24 29.08 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 -4.16 4.47 -0.20 1.08 1.43 -1.26 -5.05 118.68 114.99 2ux1 s LEU 100 Ca 0.08 1.94 -0.05 0.00 -1.03 0.00 0.00 54.13 55.07 2ux1 s LEU 100 Cb 0.14 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 2ux1 s LEU 100 CO 0.69 -0.02 -0.01 -1.59 0.23 0.00 0.00 176.35 175.65 2ux1 s LYS 101 N -1.69 3.56 0.10 1.70 0.00 -1.26 -5.08 119.74 117.08 2ux1 s LYS 101 Ca 0.47 -0.54 -0.11 0.00 0.00 0.00 0.00 55.97 55.78 2ux1 s LYS 101 Cb -0.23 -3.06 -0.06 0.00 0.00 0.00 0.00 37.83 34.47 2ux1 s LYS 101 CO 0.29 -0.03 0.45 -1.21 0.00 0.00 0.00 175.35 174.85 2ux1 s GLU 102 N 1.11 3.84 0.42 1.78 2.02 -1.26 -5.10 118.70 121.51 2ux1 s GLU 102 Ca 0.02 0.29 0.05 0.00 0.02 0.00 0.00 54.97 55.35 2ux1 s GLU 102 Cb -0.14 -2.97 -0.06 0.00 0.10 0.00 0.00 34.13 31.05 2ux1 s GLU 102 CO 0.01 0.53 0.02 0.14 0.02 0.00 0.00 175.26 175.98 2ux1 s VAL 103 N -1.43 1.67 0.50 2.63 -7.23 -1.26 -5.13 120.40 110.15 2ux1 s VAL 103 Ca 0.35 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.32 2ux1 s VAL 103 Cb -0.14 -2.77 -0.08 0.00 0.56 0.00 0.00 36.38 33.95 2ux1 s VAL 103 CO 0.18 0.00 1.07 -0.76 -0.31 0.00 0.00 175.10 175.29 2ux1 s LEU 104 N -3.72 3.84 0.26 1.32 1.43 -1.26 -4.98 118.68 115.57 2ux1 s LEU 104 Ca 0.28 2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 55.11 2ux1 s LEU 104 Cb 0.08 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.66 2ux1 s LEU 104 CO 0.14 -0.91 1.49 -0.83 0.23 0.00 0.00 176.35 176.48 2ux1 s GLY 105 N -1.87 2.22 -0.06 -3.19 0.00 -1.26 -5.02 107.32 98.14 2ux1 s GLY 105 Ca 0.68 1.41 -0.03 0.00 0.00 0.00 0.00 44.72 46.78 2ux1 s GLY 105 CO 0.23 2.38 0.12 -0.35 0.00 0.00 0.00 173.10 175.49 2ux1 s ASP 106 N 0.44 0.43 0.34 1.64 2.15 -1.26 -5.03 116.67 115.39 2ux1 s ASP 106 Ca 0.61 0.24 0.27 0.00 0.43 0.00 0.00 52.55 54.10 2ux1 s ASP 106 Cb -0.44 0.14 1.08 0.00 -0.30 0.00 0.00 42.92 43.40 2ux1 s ASP 106 CO 0.44 -0.20 1.79 1.88 -0.17 0.00 0.00 175.17 178.92 2ux1 h TYR 107 N 7.87 0.00 -0.00 -5.34 0.05 -1.96 -3.27 116.97 114.31 2ux1 h TYR 107 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.51 2ux1 h TYR 107 Cb 1.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 2ux1 h TYR 107 CO 0.45 0.00 -0.11 0.09 -1.05 0.00 0.00 178.16 177.54 2ux1 n ASN 108 N -2.50 0.47 -4.77 3.88 3.02 -1.26 -4.57 115.26 109.52 2ux1 n ASN 108 Ca 0.02 -0.56 -0.39 0.00 -0.03 0.00 0.00 54.58 53.61 2ux1 n ASN 108 Cb 0.27 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 2ux1 n ASN 108 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ux1 s VAL 109 N -2.48 2.87 0.63 2.41 1.01 -1.24 -5.03 120.40 118.58 2ux1 s VAL 109 Ca 0.29 0.80 -0.07 0.00 0.00 0.00 0.00 61.98 62.99 2ux1 s VAL 109 Cb 0.20 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 33.12 2ux1 s VAL 109 CO 0.48 0.13 0.96 0.42 0.00 0.00 0.00 175.10 177.09 2ux1 s THR 110 N -1.27 3.46 0.13 3.92 -4.23 -1.26 -4.51 115.64 111.89 2ux1 s THR 110 Ca 0.54 0.09 -0.20 0.00 -1.18 0.00 0.00 61.69 60.94 2ux1 s THR 110 Cb -0.36 -3.41 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 2ux1 s THR 110 CO 0.46 -0.45 1.70 0.40 -0.54 0.00 0.00 174.62 176.19 2ux1 h ILE 111 N -0.34 0.77 -0.26 2.99 1.08 -1.91 0.59 117.51 120.42 2ux1 h ILE 111 Ca -0.45 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.99 2ux1 h ILE 111 Cb 1.26 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.77 2ux1 h ILE 111 CO 0.61 0.00 0.06 -0.33 -0.69 0.00 0.00 178.15 177.80 2ux1 h GLU 112 N -0.00 0.38 -0.12 2.37 5.08 -1.93 0.44 114.58 120.79 2ux1 h GLU 112 Ca 0.11 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 2ux1 h GLU 112 Cb 0.17 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2ux1 h GLU 112 CO -0.24 0.36 -0.66 0.93 -1.00 0.00 0.00 179.01 178.40 2ux1 h GLU 113 N 0.37 0.49 -0.46 2.33 5.08 -1.81 -1.87 114.58 118.71 2ux1 h GLU 113 Ca 0.09 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 2ux1 h GLU 113 Cb 0.16 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2ux1 h GLU 113 CO -0.00 0.99 -0.03 1.96 -1.00 0.00 0.00 179.01 180.93 2ux1 h GLN 114 N 0.35 0.84 -0.75 2.33 1.08 0.01 -1.74 115.11 117.23 2ux1 h GLN 114 Ca -0.02 -0.28 -0.06 0.00 -1.45 0.00 0.00 58.65 56.84 2ux1 h GLN 114 Cb 1.23 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.56 2ux1 h GLN 114 CO 0.12 0.90 0.24 -0.07 -0.95 0.00 0.00 178.83 179.07 2ux1 h LEU 115 N 0.68 1.09 -1.13 1.46 3.38 -0.95 -1.83 115.31 118.02 2ux1 h LEU 115 Ca 0.13 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2ux1 h LEU 115 Cb 0.54 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2ux1 h LEU 115 CO 0.03 1.01 0.59 0.00 0.09 0.00 0.00 178.44 180.16 2ux1 h ALA 116 N 1.13 1.44 -0.31 1.53 0.00 -1.18 -0.61 119.26 121.26 2ux1 h ALA 116 Ca 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2ux1 h ALA 116 Cb 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2ux1 h ALA 116 CO -0.01 0.46 0.10 -0.09 0.00 0.00 0.00 179.25 179.71 2ux1 h ARG 117 N 1.12 0.47 -0.43 0.00 9.65 -0.80 -2.20 114.38 122.20 2ux1 h ARG 117 Ca 0.36 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 59.16 2ux1 h ARG 117 Cb 0.04 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 2ux1 h ARG 117 CO -0.11 0.52 0.26 0.28 2.80 0.00 0.00 179.97 183.71 2ux1 h VAL 118 N 0.34 1.06 -0.52 0.20 2.07 -0.72 -1.93 116.25 116.75 2ux1 h VAL 118 Ca 0.10 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.50 2ux1 h VAL 118 Cb 0.24 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2ux1 h VAL 118 CO -0.00 0.10 0.23 0.58 0.02 0.00 0.00 177.57 178.50 2ux1 h VAL 119 N 0.52 0.90 -0.52 2.57 2.07 -1.01 0.38 116.25 121.17 2ux1 h VAL 119 Ca 0.17 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.59 2ux1 h VAL 119 Cb -0.01 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 2ux1 h VAL 119 CO -0.07 0.08 0.23 -0.33 0.02 0.00 0.00 177.57 177.50 2ux1 h GLU 120 N 0.45 0.43 -0.44 1.57 3.07 -1.14 0.41 114.58 118.93 2ux1 h GLU 120 Ca 0.24 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2ux1 h GLU 120 Cb 0.19 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 2ux1 h GLU 120 CO -0.19 0.28 0.24 0.28 -1.40 0.00 0.00 179.01 178.22 2ux1 h VAL 121 N 0.44 1.16 -0.66 3.13 2.07 -0.67 -1.33 116.25 120.39 2ux1 h VAL 121 Ca 0.24 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 2ux1 h VAL 121 Cb 0.21 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2ux1 h VAL 121 CO -0.20 0.17 0.14 -0.26 0.02 0.00 0.00 177.57 177.43 2ux1 h PHE 122 N 0.58 1.12 -0.02 1.57 -1.00 -0.49 -0.62 116.94 118.07 2ux1 h PHE 122 Ca 0.16 -0.14 0.02 0.00 2.81 0.00 0.00 57.97 60.82 2ux1 h PHE 122 Cb 0.05 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.27 2ux1 h PHE 122 CO -0.02 0.92 -0.12 0.00 -1.61 0.00 0.00 178.31 177.48 2ux1 h ARG 123 N 1.00 -0.19 -0.53 1.51 3.08 0.08 0.74 114.38 120.07 2ux1 h ARG 123 Ca 0.21 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.35 2ux1 h ARG 123 Cb 0.39 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.41 2ux1 h ARG 123 CO 0.01 -0.12 0.17 -0.92 -1.07 0.00 0.00 179.97 178.03 2ux1 h TYR 124 N -0.19 0.29 -0.54 3.04 3.20 -0.93 -1.40 116.97 120.44 2ux1 h TYR 124 Ca 0.05 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 2ux1 h TYR 124 Cb 0.26 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2ux1 h TYR 124 CO -0.19 0.07 0.24 -0.07 -1.64 0.00 0.00 178.16 176.56 2ux1 h LEU 125 N 0.33 0.73 -0.87 2.82 3.38 -0.70 -0.76 115.31 120.25 2ux1 h LEU 125 Ca 0.26 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2ux1 h LEU 125 Cb 0.32 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2ux1 h LEU 125 CO -0.29 0.68 0.55 0.00 0.09 0.00 0.00 178.44 179.47 2ux1 h ALA 126 N 1.08 1.10 -0.16 1.53 0.00 -0.44 -0.08 119.26 122.28 2ux1 h ALA 126 Ca 0.18 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2ux1 h ALA 126 Cb 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2ux1 h ALA 126 CO -0.02 0.53 0.05 0.00 0.00 0.00 0.00 179.25 179.82 2ux1 h ALA 127 N 1.30 0.17 -0.81 0.00 0.00 -0.91 -0.82 119.26 118.20 2ux1 h ALA 127 Ca 0.31 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.29 2ux1 h ALA 127 Cb -0.09 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2ux1 h ALA 127 CO -0.06 -0.39 0.50 1.25 0.00 0.00 0.00 179.25 180.55 2ux1 h LEU 128 N 0.13 0.80 -0.84 0.00 5.85 -0.74 -1.82 115.31 118.69 2ux1 h LEU 128 Ca 0.07 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 2ux1 h LEU 128 Cb 0.04 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2ux1 h LEU 128 CO -0.07 0.53 -0.17 -0.26 -0.34 0.00 0.00 178.44 178.12 2ux1 h PHE 129 N 0.94 0.75 -0.54 1.25 0.04 -0.77 0.40 116.94 119.01 2ux1 h PHE 129 Ca 0.34 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.99 2ux1 h PHE 129 Cb 0.11 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 2ux1 h PHE 129 CO -0.04 0.80 0.32 0.37 -0.60 0.00 0.00 178.31 179.17 2ux1 h GLN 130 N 0.61 0.63 -0.66 1.51 5.75 -0.79 0.16 115.11 122.32 2ux1 h GLN 130 Ca 0.10 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2ux1 h GLN 130 Cb 0.63 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 2ux1 h GLN 130 CO 0.04 0.41 0.43 0.87 -2.65 0.00 0.00 178.83 177.93 2ux1 h LYS 131 N 0.64 0.87 -0.56 1.69 6.56 -0.70 0.73 116.57 125.79 2ux1 h LYS 131 Ca 0.22 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.74 2ux1 h LYS 131 Cb 0.02 -0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 31.46 2ux1 h LYS 131 CO -0.10 0.58 0.30 0.78 -2.06 0.00 0.00 179.45 178.96 2ux1 h GLY 132 N 0.89 0.85 0.81 3.86 0.00 -0.68 0.79 103.07 109.59 2ux1 h GLY 132 Ca 0.24 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.20 2ux1 h GLY 132 CO -0.05 0.38 0.17 -2.75 0.00 0.00 0.00 176.54 174.29 2ux1 h PHE 133 N 0.76 0.32 0.07 5.60 3.57 -0.06 -1.21 116.94 125.98 2ux1 h PHE 133 Ca 0.20 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2ux1 h PHE 133 Cb 0.06 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2ux1 h PHE 133 CO -0.01 0.17 -0.03 -0.44 -2.23 0.00 0.00 178.31 175.76 2ux1 h ASP 134 N 0.36 -0.08 -0.46 0.41 3.32 -0.50 -1.16 116.42 118.30 2ux1 h ASP 134 Ca 0.15 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.05 2ux1 h ASP 134 Cb 0.07 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2ux1 h ASP 134 CO -0.11 0.12 0.28 0.58 -1.72 0.00 0.00 179.24 178.39 2ux1 h VAL 135 N -0.28 1.07 -0.09 -1.35 2.07 -0.78 -2.04 116.25 114.85 2ux1 h VAL 135 Ca -0.01 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 2ux1 h VAL 135 Cb 0.24 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2ux1 h VAL 135 CO 0.02 0.10 -0.43 0.77 0.02 0.00 0.00 177.57 178.05 2ux1 h SER 136 N 0.57 0.21 -0.49 0.57 4.64 -1.21 -1.97 113.55 115.88 2ux1 h SER 136 Ca 0.18 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 2ux1 h SER 136 Cb -0.01 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 2ux1 h SER 136 CO -0.07 0.62 0.17 -0.78 -0.87 0.00 0.00 176.83 175.90 2ux1 h ASP 137 N 0.17 0.70 -0.01 4.97 3.58 -0.91 -0.33 116.42 124.59 2ux1 h ASP 137 Ca 0.01 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 2ux1 h ASP 137 Cb 0.84 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 2ux1 h ASP 137 CO 0.07 0.71 0.00 -0.33 -2.88 0.00 0.00 179.24 176.81 2ux1 h GLU 138 N 0.66 0.02 0.00 0.28 3.07 -1.23 -2.88 114.58 114.49 2ux1 h GLU 138 Ca 0.16 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 2ux1 h GLU 138 Cb 0.25 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2ux1 h GLU 138 CO -0.01 0.19 0.00 0.39 -1.40 0.00 0.00 179.01 178.19 2ux1 n GLU 139 N -4.99 0.48 -1.70 2.33 1.02 -0.75 -4.87 120.64 112.15 2ux1 n GLU 139 Ca -0.07 0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 56.97 2ux1 n GLU 139 Cb 0.11 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.99 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 0.26 0.92 3.43 0.62 0.00 -0.69 -4.95 105.19 104.78 2ux1 n GLY 140 Ca 0.12 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 2ux1 n GLY 140 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ux1 n ASP 141 N -0.47 5.29 0.21 1.61 2.03 -0.22 -4.88 116.55 120.12 2ux1 n ASP 141 Ca -0.15 -2.99 0.05 0.00 0.52 0.00 0.00 54.79 52.21 2ux1 n ASP 141 Cb 0.53 -1.53 0.46 0.00 -0.72 0.00 0.00 41.12 39.86 2ux1 n ASP 141 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2ux1 h SER 142 N 6.99 0.00 0.25 1.67 4.64 -1.93 -1.76 113.55 123.42 2ux1 h SER 142 Ca 0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 2ux1 h SER 142 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2ux1 h SER 142 CO 1.20 0.27 -0.12 0.58 -0.87 0.00 0.00 176.83 177.89 2ux1 h VAL 143 N 0.00 0.80 -0.89 0.95 2.07 -1.96 -0.89 116.25 116.33 2ux1 h VAL 143 Ca -0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2ux1 h VAL 143 Cb 0.52 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2ux1 h VAL 143 CO 0.04 0.08 0.47 0.74 0.02 0.00 0.00 177.57 178.92 2ux1 h THR 144 N -0.53 1.26 -0.50 2.57 2.02 -1.92 -1.86 112.91 113.95 2ux1 h THR 144 Ca -0.03 -0.67 0.09 0.00 0.77 0.00 0.00 66.41 66.56 2ux1 h THR 144 Cb 0.39 0.07 -0.07 0.00 -1.74 0.00 0.00 68.15 66.80 2ux1 h THR 144 CO 0.06 0.30 0.10 -1.13 0.37 0.00 0.00 175.52 175.22 2ux1 h ASN 145 N 1.26 -0.00 -0.57 4.18 -0.73 -1.22 -1.80 115.58 116.70 2ux1 h ASN 145 Ca 0.31 0.09 -0.05 0.00 1.87 0.00 0.00 56.30 58.53 2ux1 h ASN 145 Cb 0.05 0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.74 2ux1 h ASN 145 CO -0.05 0.03 0.19 0.44 -0.37 0.00 0.00 177.43 177.67 2ux1 h ASP 146 N 0.23 0.85 -0.19 1.15 3.32 -0.50 -0.65 116.42 120.63 2ux1 h ASP 146 Ca 0.25 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2ux1 h ASP 146 Cb 0.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2ux1 h ASP 146 CO -0.33 0.79 0.08 0.40 -1.72 0.00 0.00 179.24 178.47 2ux1 h ILE 147 N 0.89 1.15 -0.29 0.35 2.04 -0.77 -1.23 117.51 119.65 2ux1 h ILE 147 Ca 0.20 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 2ux1 h ILE 147 Cb 0.25 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2ux1 h ILE 147 CO -0.01 0.15 -0.24 -0.26 0.00 0.00 0.00 178.15 177.79 2ux1 h PHE 148 N 0.16 0.64 -0.46 1.37 0.04 -1.14 -2.23 116.94 115.32 2ux1 h PHE 148 Ca 0.06 -0.14 -0.09 0.00 2.80 0.00 0.00 57.97 60.61 2ux1 h PHE 148 Cb 0.16 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2ux1 h PHE 148 CO -0.02 0.76 -0.05 -0.97 -0.60 0.00 0.00 178.31 177.44 2ux1 h ASN 149 N 0.50 0.83 -0.12 2.17 -1.24 -0.86 -1.82 115.58 115.05 2ux1 h ASN 149 Ca 0.07 -0.33 -0.01 0.00 0.71 0.00 0.00 56.30 56.74 2ux1 h ASN 149 Cb 0.68 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.50 2ux1 h ASN 149 CO 0.05 0.97 0.03 0.58 -1.29 0.00 0.00 177.43 177.77 2ux1 h VAL 150 N 0.68 1.20 -0.57 2.57 2.07 -1.13 -2.36 116.25 118.71 2ux1 h VAL 150 Ca 0.12 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2ux1 h VAL 150 Cb 0.57 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 2ux1 h VAL 150 CO 0.03 0.18 0.35 0.00 0.02 0.00 0.00 177.57 178.15 2ux1 h ALA 151 N 0.82 0.74 -0.62 1.67 0.00 -1.41 -3.00 119.26 117.46 2ux1 h ALA 151 Ca 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2ux1 h ALA 151 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2ux1 h ALA 151 CO 0.00 0.08 0.41 -0.22 0.00 0.00 0.00 179.25 179.52 2ux1 h LYS 152 N 0.70 0.82 -0.52 0.00 3.64 -1.25 -1.94 116.57 118.02 2ux1 h LYS 152 Ca 0.23 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.65 2ux1 h LYS 152 Cb 0.01 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 31.57 2ux1 h LYS 152 CO -0.09 0.54 0.11 0.00 -2.27 0.00 0.00 179.45 177.74 2ux1 h ALA 153 N 1.23 0.60 -0.07 5.00 0.00 -1.30 -0.86 119.26 123.85 2ux1 h ALA 153 Ca 0.23 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2ux1 h ALA 153 Cb -0.10 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ux1 h ALA 153 CO -0.05 -0.30 -0.05 1.03 0.00 0.00 0.00 179.25 179.88 2ux1 h SER 154 N 0.25 0.16 -0.97 0.00 0.87 -1.38 -2.34 113.55 110.15 2ux1 h SER 154 Ca 0.26 -0.46 0.01 0.00 -1.23 0.00 0.00 61.79 60.36 2ux1 h SER 154 Cb 0.36 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 2ux1 h SER 154 CO -0.34 0.59 0.62 0.40 -0.53 0.00 0.00 176.83 177.58 2ux1 h ILE 155 N -0.27 1.25 -0.64 2.23 1.08 -1.22 -1.72 117.51 118.22 2ux1 h ILE 155 Ca 0.01 -0.49 -0.06 0.00 -0.39 0.00 0.00 64.86 63.94 2ux1 h ILE 155 Cb 0.54 -0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 34.11 2ux1 h ILE 155 CO 0.01 0.25 0.18 -0.33 -0.69 0.00 0.00 178.15 177.58 2ux1 h GLU 156 N 1.32 1.01 -0.79 2.37 5.08 -1.17 -1.66 114.58 120.73 2ux1 h GLU 156 Ca 0.35 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 2ux1 h GLU 156 Cb -0.12 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 28.93 2ux1 h GLU 156 CO -0.07 0.90 0.48 -0.22 -1.00 0.00 0.00 179.01 179.10 2ux1 h LYS 157 N 0.94 0.87 -0.84 2.33 3.64 -1.05 -1.96 116.57 120.48 2ux1 h LYS 157 Ca 0.20 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2ux1 h LYS 157 Cb 0.32 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 2ux1 h LYS 157 CO -0.00 0.58 0.42 0.45 -2.27 0.00 0.00 179.45 178.63 2ux1 h HIS 158 N 0.90 1.19 -0.53 1.91 3.86 -0.87 -2.40 115.15 119.21 2ux1 h HIS 158 Ca 0.34 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 2ux1 h HIS 158 Cb 0.15 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 2ux1 h HIS 158 CO -0.04 0.85 0.30 0.82 0.86 0.00 0.00 177.93 180.72 2ux1 h ILE 159 N 1.19 1.17 -0.00 2.45 2.04 -0.89 0.85 117.51 124.32 2ux1 h ILE 159 Ca 0.29 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.77 2ux1 h ILE 159 Cb 0.09 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 2ux1 h ILE 159 CO -0.04 0.18 -0.31 -0.25 0.00 0.00 0.00 178.15 177.73 2ux1 h TRP 160 N 0.71 -0.85 -0.52 1.37 7.01 -1.02 -0.06 115.95 122.58 2ux1 h TRP 160 Ca 0.19 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 2ux1 h TRP 160 Cb 0.02 0.38 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 2ux1 h TRP 160 CO -0.02 -0.40 0.20 0.52 -2.79 0.00 0.00 178.44 175.94 2ux1 h MET 161 N -0.46 0.79 -0.43 2.65 2.86 -0.93 -0.80 114.93 118.61 2ux1 h MET 161 Ca 0.06 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2ux1 h MET 161 Cb 0.55 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 2ux1 h MET 161 CO -0.26 0.71 0.22 -0.07 1.06 0.00 0.00 176.91 178.56 2ux1 h LEU 162 N 0.71 0.56 -0.83 1.22 3.38 -0.74 -0.94 115.31 118.68 2ux1 h LEU 162 Ca 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2ux1 h LEU 162 Cb 0.22 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2ux1 h LEU 162 CO -0.01 0.52 0.49 1.56 0.09 0.00 0.00 178.44 181.08 2ux1 h GLN 163 N 0.56 1.13 -0.72 1.13 1.08 -0.82 -1.08 115.11 116.39 2ux1 h GLN 163 Ca 0.15 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 2ux1 h GLN 163 Cb 0.10 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 2ux1 h GLN 163 CO -0.02 0.81 0.28 0.00 -0.95 0.00 0.00 178.83 178.94 2ux1 h ALA 164 N 1.26 0.94 -0.71 3.87 0.00 -0.87 0.63 119.26 124.37 2ux1 h ALA 164 Ca 0.30 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2ux1 h ALA 164 Cb -0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 2ux1 h ALA 164 CO -0.05 0.58 0.47 1.49 0.00 0.00 0.00 179.25 181.74 2ux1 h GLU 165 N 1.05 0.90 -0.44 0.00 4.57 -0.81 -1.41 114.58 118.43 2ux1 h GLU 165 Ca 0.24 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2ux1 h GLU 165 Cb 0.23 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2ux1 h GLU 165 CO -0.02 0.59 0.00 1.28 -1.18 0.00 0.00 179.01 179.69 2ux1 n LEU 166 N -4.44 1.51 -0.89 1.64 4.77 -0.31 -4.90 117.00 114.39 2ux1 n LEU 166 Ca 0.08 -0.76 -0.10 0.00 -0.03 0.00 0.00 56.01 55.20 2ux1 n LEU 166 Cb 0.07 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2ux1 n LEU 166 CO 0.36 0.30 -0.11 0.61 -1.33 0.00 0.00 177.39 177.22 2ux1 n GLY 167 N 0.60 0.90 3.36 -0.72 0.00 -0.38 -5.00 105.19 103.96 2ux1 n GLY 167 Ca 0.07 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.25 1.38 0.78 1.61 -0.21 0.06 -4.99 119.66 115.03 2ux1 s GLN 168 Ca 0.00 -1.65 -0.11 0.00 0.02 0.00 0.00 55.36 53.63 2ux1 s GLN 168 Cb 0.00 -1.05 0.06 0.00 1.00 0.00 0.00 33.01 33.02 2ux1 s GLN 168 CO 0.00 0.11 1.09 0.00 -2.12 0.00 0.00 175.29 174.37 2ux1 s ALA 169 N -3.05 2.23 0.21 6.09 0.00 -1.26 -3.18 121.76 122.80 2ux1 s ALA 169 Ca 0.25 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.36 2ux1 s ALA 169 Cb 0.01 -3.27 0.21 0.00 0.00 0.00 0.00 23.12 20.07 2ux1 s ALA 169 CO 0.08 -1.79 1.84 -1.35 0.00 0.00 0.00 175.76 174.54 2ux1 h PRO 170 N -1.14 0.78 -6.00 0.00 0.11 -1.86 -3.46 132.00 120.43 2ux1 h PRO 170 Ca -0.44 -0.05 -0.40 0.00 0.11 0.00 0.00 66.00 65.23 2ux1 h PRO 170 Cb 1.23 -0.18 0.08 0.00 0.11 0.00 0.00 31.00 32.25 2ux1 h PRO 170 CO 0.52 0.52 -0.83 1.63 -0.21 0.00 0.00 178.00 179.62 2ux1 n LYS 171 N -4.70 -4.72 0.00 1.05 5.02 -1.26 -4.87 118.16 108.68 2ux1 n LYS 171 Ca 0.08 0.65 0.06 0.00 -2.02 0.00 0.00 58.31 57.08 2ux1 n LYS 171 Cb 0.11 -5.23 0.37 0.00 -0.02 0.00 0.00 35.03 30.26 2ux1 n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16