#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ux2 s PHE 1 N 0.00 2.89 0.91 4.31 0.08 -1.26 -5.06 117.98 119.84 1ux2 s PHE 1 Ca 0.00 -1.01 -0.14 0.00 0.12 0.00 0.00 56.93 55.91 1ux2 s PHE 1 Cb 0.00 -2.01 0.17 0.00 -0.57 0.00 0.00 43.02 40.62 1ux2 s PHE 1 CO 0.00 -0.52 1.26 0.16 -0.10 0.00 0.00 175.22 176.02 1ux2 s ASP 2 N 1.18 3.46 0.40 1.36 1.47 -1.26 -4.19 116.67 119.09 1ux2 s ASP 2 Ca 0.02 0.26 0.07 0.00 1.18 0.00 0.00 52.55 54.07 1ux2 s ASP 2 Cb -0.14 -0.41 0.84 0.00 -0.34 0.00 0.00 42.92 42.87 1ux2 s ASP 2 CO -0.03 -2.51 2.05 0.03 0.68 0.00 0.00 175.17 175.39 1ux2 h ARG 3 N -1.42 0.57 -0.82 2.11 3.08 -1.97 -1.51 114.38 114.42 1ux2 h ARG 3 Ca -0.44 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 1ux2 h ARG 3 Cb 1.25 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 1ux2 h ARG 3 CO 0.42 0.38 0.42 0.00 -1.07 0.00 0.00 179.97 180.12 1ux2 h ALA 4 N 1.72 1.05 -0.38 0.04 0.00 -1.99 -1.56 119.26 118.15 1ux2 h ALA 4 Ca 0.17 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1ux2 h ALA 4 Cb -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1ux2 h ALA 4 CO -0.04 0.59 -0.35 -0.44 0.00 0.00 0.00 179.25 179.00 1ux2 h ASP 5 N 1.14 0.94 -0.26 0.00 3.32 -1.66 -0.19 116.42 119.71 1ux2 h ASP 5 Ca 0.28 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 1ux2 h ASP 5 Cb 0.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1ux2 h ASP 5 CO -0.04 1.19 -0.04 0.40 -1.72 0.00 0.00 179.24 179.03 1ux2 h ILE 6 N 0.73 1.28 -0.46 0.35 2.04 -1.25 -0.85 117.51 119.35 1ux2 h ILE 6 Ca 0.07 -1.03 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 1ux2 h ILE 6 Cb 0.93 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1ux2 h ILE 6 CO 0.09 0.32 -0.04 -0.07 0.00 0.00 0.00 178.15 178.45 1ux2 h LEU 7 N 0.24 0.77 -0.02 1.44 3.38 -1.24 -1.33 115.31 118.54 1ux2 h LEU 7 Ca 0.07 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1ux2 h LEU 7 Cb 0.50 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ux2 h LEU 7 CO 0.02 0.86 0.01 0.22 0.09 0.00 0.00 178.44 179.64 1ux2 h TYR 8 N 0.73 0.03 -0.20 1.13 3.20 -0.94 -0.66 116.97 120.27 1ux2 h TYR 8 Ca 0.14 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1ux2 h TYR 8 Cb 0.50 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1ux2 h TYR 8 CO 0.03 0.17 0.12 -0.91 -1.64 0.00 0.00 178.16 175.93 1ux2 h ASN 9 N -0.11 0.20 -0.33 -2.11 2.35 -0.97 -1.37 115.58 113.24 1ux2 h ASN 9 Ca 0.01 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.81 1ux2 h ASN 9 Cb 0.15 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1ux2 h ASN 9 CO -0.00 0.15 0.06 0.40 -1.65 0.00 0.00 177.43 176.38 1ux2 h ILE 10 N 0.25 0.83 -0.55 2.81 2.04 -1.22 -2.28 117.51 119.39 1ux2 h ILE 10 Ca 0.07 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 1ux2 h ILE 10 Cb -0.02 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1ux2 h ILE 10 CO -0.03 0.03 0.02 -0.09 0.00 0.00 0.00 178.15 178.08 1ux2 h ARG 11 N 0.17 0.92 0.00 2.37 2.43 -0.92 0.14 114.38 119.48 1ux2 h ARG 11 Ca 0.16 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1ux2 h ARG 11 Cb 0.18 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1ux2 h ARG 11 CO -0.21 0.90 -0.24 1.96 -1.51 0.00 0.00 179.97 180.87 1ux2 h GLN 12 N 0.85 0.00 0.00 0.20 1.08 -1.06 -3.39 115.11 112.80 1ux2 h GLN 12 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1ux2 h GLN 12 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1ux2 h GLN 12 CO 0.02 0.24 -0.18 0.25 -0.95 0.00 0.00 178.83 178.21 1ux2 n THR 13 N -3.37 0.00 -2.18 -0.54 -2.24 -0.88 -5.01 114.28 100.06 1ux2 n THR 13 Ca 0.00 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1ux2 n THR 13 Cb 0.45 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 1ux2 n THR 13 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ux2 s SER 14 N -0.72 6.85 -0.59 3.42 0.15 0.45 -4.97 113.70 118.29 1ux2 s SER 14 Ca 0.00 2.36 -0.06 0.00 0.70 0.00 0.00 55.95 58.95 1ux2 s SER 14 Cb 0.00 -2.59 0.15 0.00 -1.71 0.00 0.00 66.02 61.87 1ux2 s SER 14 CO 0.00 -0.61 0.43 -0.13 1.20 0.00 0.00 173.24 174.13 1ux2 s ARG 15 N 0.67 2.59 0.44 5.44 0.52 -1.26 -4.95 118.95 122.39 1ux2 s ARG 15 Ca 0.62 -2.26 0.30 0.00 -0.52 0.00 0.00 55.73 53.87 1ux2 s ARG 15 Cb -0.37 -3.84 1.42 0.00 0.52 0.00 0.00 34.95 32.68 1ux2 s ARG 15 CO 0.33 -1.18 1.91 -1.35 0.02 0.00 0.00 175.30 175.03 1ux2 h PRO 16 N 7.57 0.00 -0.15 3.54 0.11 -1.82 -1.17 132.00 140.07 1ux2 h PRO 16 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ux2 h PRO 16 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1ux2 h PRO 16 CO 0.74 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.28 1ux2 n ASP 17 N -2.65 1.97 -4.27 -2.05 8.00 -1.26 -3.93 116.55 112.35 1ux2 n ASP 17 Ca -0.00 -1.72 -0.37 0.00 0.71 0.00 0.00 54.79 53.41 1ux2 n ASP 17 Cb 0.18 -0.09 -0.13 0.00 -0.02 0.00 0.00 41.12 41.06 1ux2 n ASP 17 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ux2 s VAL 18 N -1.82 3.61 0.14 2.53 1.01 -0.44 -5.06 120.40 120.37 1ux2 s VAL 18 Ca 0.34 -1.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 1ux2 s VAL 18 Cb 0.19 -2.96 -0.11 0.00 0.00 0.00 0.00 36.38 33.51 1ux2 s VAL 18 CO 0.29 -0.03 1.82 0.00 0.00 0.00 0.00 175.10 177.18 1ux2 n ILE 19 N 4.78 0.29 -1.17 2.22 3.06 -1.26 -4.83 119.36 122.45 1ux2 n ILE 19 Ca -0.14 -0.05 -0.33 0.00 -2.50 0.00 0.00 62.75 59.74 1ux2 n ILE 19 Cb 0.46 -2.11 -0.05 0.00 0.54 0.00 0.00 39.64 38.49 1ux2 n ILE 19 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1ux2 n PRO 20 N 5.30 3.20 -2.23 9.51 -0.04 -1.26 -4.94 135.00 144.54 1ux2 n PRO 20 Ca 0.18 -1.91 -0.40 0.00 -0.04 0.00 0.00 63.50 61.32 1ux2 n PRO 20 Cb 0.37 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.17 1ux2 n PRO 20 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ux2 s THR 21 N 2.21 2.97 -0.07 0.52 -4.23 -1.26 -4.83 115.64 110.95 1ux2 s THR 21 Ca 0.64 0.96 0.02 0.00 -1.18 0.00 0.00 61.69 62.13 1ux2 s THR 21 Cb 0.18 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.43 1ux2 s THR 21 CO -0.05 0.22 -0.11 -1.58 -0.54 0.00 0.00 174.62 172.56 1ux2 s GLN 22 N -1.74 1.64 -1.65 3.99 0.74 -1.26 -4.78 119.66 116.59 1ux2 s GLN 22 Ca 0.48 -0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.52 1ux2 s GLN 22 Cb -0.37 -1.41 0.00 0.00 1.10 0.00 0.00 33.01 32.33 1ux2 s GLN 22 CO 0.48 -0.03 0.00 0.54 -0.55 0.00 0.00 175.29 175.74 1ux2 n ARG 23 N 4.01 -1.47 -1.76 1.67 3.00 -1.26 -1.80 116.66 119.05 1ux2 n ARG 23 Ca -0.21 0.92 -0.15 0.00 -0.01 0.00 0.00 57.85 58.40 1ux2 n ARG 23 Cb 0.51 -5.28 -0.04 0.00 0.00 0.00 0.00 32.46 27.65 1ux2 n ARG 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ux2 n ASP 24 N -1.04 -4.73 -4.91 0.55 2.03 -1.26 -5.02 116.55 102.18 1ux2 n ASP 24 Ca -0.17 0.23 -0.29 0.00 0.52 0.00 0.00 54.79 55.08 1ux2 n ASP 24 Cb 0.55 -3.67 -0.03 0.00 -0.72 0.00 0.00 41.12 37.25 1ux2 n ASP 24 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ux2 s ARG 25 N -3.84 3.63 0.64 -0.67 0.52 -0.74 -4.99 118.95 113.49 1ux2 s ARG 25 Ca 0.00 -0.02 -0.17 0.00 -0.52 0.00 0.00 55.73 55.02 1ux2 s ARG 25 Cb 0.00 -2.67 -0.01 0.00 0.52 0.00 0.00 34.95 32.79 1ux2 s ARG 25 CO 0.00 0.24 1.20 -1.25 0.02 0.00 0.00 175.30 175.52 1ux2 s PRO 26 N -3.47 2.71 0.02 3.54 0.04 -1.16 -4.11 135.00 132.58 1ux2 s PRO 26 Ca 0.43 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 1ux2 s PRO 26 Cb -0.11 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1ux2 s PRO 26 CO 0.29 -1.40 1.24 0.08 0.04 0.00 0.00 177.00 177.25 1ux2 s VAL 27 N -1.76 3.99 -0.52 -0.36 1.01 0.06 -4.79 120.40 118.03 1ux2 s VAL 27 Ca 0.76 1.40 -0.22 0.00 0.00 0.00 0.00 61.98 63.92 1ux2 s VAL 27 Cb -0.29 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.23 1ux2 s VAL 27 CO 0.37 0.06 0.80 0.00 0.00 0.00 0.00 175.10 176.34 1ux2 s ALA 28 N 1.59 3.26 -0.27 5.51 0.00 -1.26 -1.12 121.76 129.48 1ux2 s ALA 28 Ca 0.59 -1.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1ux2 s ALA 28 Cb -0.29 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 1ux2 s ALA 28 CO 0.27 -2.18 0.18 0.08 0.00 0.00 0.00 175.76 174.11 1ux2 s VAL 29 N 3.37 5.28 -0.05 0.00 1.01 -0.19 -4.39 120.40 125.43 1ux2 s VAL 29 Ca 0.25 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.19 1ux2 s VAL 29 Cb -0.15 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1ux2 s VAL 29 CO 0.17 0.28 0.54 -0.44 0.00 0.00 0.00 175.10 175.65 1ux2 s SER 30 N 1.55 6.85 -0.06 3.32 0.01 0.21 -1.23 113.70 124.35 1ux2 s SER 30 Ca 0.07 1.02 0.02 0.00 1.31 0.00 0.00 55.95 58.37 1ux2 s SER 30 Cb -0.15 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 63.76 1ux2 s SER 30 CO 0.09 0.08 -0.11 -0.69 0.41 0.00 0.00 173.24 173.02 1ux2 s VAL 31 N 0.04 1.04 -0.10 3.43 1.01 0.05 -1.43 120.40 124.45 1ux2 s VAL 31 Ca 0.29 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1ux2 s VAL 31 Cb -0.17 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.30 1ux2 s VAL 31 CO 0.14 0.33 0.22 -0.55 0.00 0.00 0.00 175.10 175.25 1ux2 s SER 32 N 0.59 -0.02 -0.19 3.32 0.15 -0.18 -3.59 113.70 113.78 1ux2 s SER 32 Ca -0.12 0.48 -0.14 0.00 0.70 0.00 0.00 55.95 56.87 1ux2 s SER 32 Cb -0.15 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1ux2 s SER 32 CO 0.03 -0.18 0.32 -0.76 1.20 0.00 0.00 173.24 173.84 1ux2 s LEU 33 N 1.56 4.19 -0.33 3.45 1.43 -1.26 -0.88 118.68 126.83 1ux2 s LEU 33 Ca -0.06 0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 1ux2 s LEU 33 Cb -0.11 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 43.77 1ux2 s LEU 33 CO -0.08 0.02 0.08 -0.54 0.23 0.00 0.00 176.35 176.06 1ux2 s LYS 34 N 0.91 2.50 0.09 1.70 -0.14 -0.46 -4.97 119.74 119.37 1ux2 s LYS 34 Ca 0.16 -1.28 -0.30 0.00 -1.36 0.00 0.00 55.97 53.19 1ux2 s LYS 34 Cb -0.14 -3.39 -0.06 0.00 -1.68 0.00 0.00 37.83 32.57 1ux2 s LYS 34 CO 0.06 -0.70 1.16 -0.06 -0.76 0.00 0.00 175.35 175.05 1ux2 s PHE 35 N 1.33 3.49 -0.15 3.18 0.08 -1.26 -0.47 117.98 124.18 1ux2 s PHE 35 Ca -0.02 1.41 0.03 0.00 0.12 0.00 0.00 56.93 58.47 1ux2 s PHE 35 Cb -0.20 -3.36 -0.11 0.00 -0.57 0.00 0.00 43.02 38.78 1ux2 s PHE 35 CO 0.01 -1.02 -0.11 -0.89 -0.10 0.00 0.00 175.22 173.11 1ux2 n ILE 36 N 3.48 0.86 -3.59 0.64 2.08 0.54 -3.26 119.36 120.11 1ux2 n ILE 36 Ca 0.07 -0.36 -0.16 0.00 0.56 0.00 0.00 62.75 62.86 1ux2 n ILE 36 Cb 0.47 -0.98 -0.07 0.00 -0.75 0.00 0.00 39.64 38.31 1ux2 n ILE 36 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1ux2 s ASN 37 N -5.31 -0.57 -0.24 4.38 3.84 -0.78 -0.08 114.94 116.18 1ux2 s ASN 37 Ca -0.18 0.69 0.00 0.00 0.21 0.00 0.00 52.86 53.59 1ux2 s ASN 37 Cb 0.05 0.63 0.04 0.00 -0.55 0.00 0.00 41.25 41.41 1ux2 s ASN 37 CO 0.37 -0.51 -0.10 -0.63 -2.79 0.00 0.00 177.10 173.44 1ux2 s ILE 38 N -0.95 2.51 -0.23 -5.21 1.01 -1.26 -0.85 121.20 116.21 1ux2 s ILE 38 Ca -0.10 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 59.38 1ux2 s ILE 38 Cb -0.02 -2.31 -0.20 0.00 0.01 0.00 0.00 42.46 39.95 1ux2 s ILE 38 CO 0.07 0.17 -0.09 0.18 0.00 0.00 0.00 174.94 175.27 1ux2 n LEU 39 N 4.58 2.35 -3.70 2.97 4.77 0.67 -4.61 117.00 124.04 1ux2 n LEU 39 Ca -0.16 -0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.63 1ux2 n LEU 39 Cb 0.46 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.81 1ux2 n LEU 39 CO 0.25 0.84 0.14 -0.70 -1.33 0.00 0.00 177.39 176.59 1ux2 s GLU 40 N -2.52 0.52 -0.00 3.23 2.12 -1.13 -4.99 118.70 115.93 1ux2 s GLU 40 Ca -0.28 0.75 0.01 0.00 0.36 0.00 0.00 54.97 55.81 1ux2 s GLU 40 Cb 0.08 0.17 -0.00 0.00 0.26 0.00 0.00 34.13 34.64 1ux2 s GLU 40 CO 0.66 -0.10 -0.04 0.08 -0.54 0.00 0.00 175.26 175.32 1ux2 s VAL 41 N 0.71 0.33 -0.23 3.70 1.01 -1.26 -0.31 120.40 124.35 1ux2 s VAL 41 Ca -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1ux2 s VAL 41 Cb -0.05 -0.29 0.07 0.00 0.00 0.00 0.00 36.38 36.12 1ux2 s VAL 41 CO -0.05 0.10 0.07 0.21 0.00 0.00 0.00 175.10 175.43 1ux2 s ASN 42 N -0.06 3.13 0.40 3.32 3.84 -0.63 -5.02 114.94 119.92 1ux2 s ASN 42 Ca 0.01 -1.02 0.21 0.00 0.21 0.00 0.00 52.86 52.27 1ux2 s ASN 42 Cb -0.02 -0.53 0.74 0.00 -0.55 0.00 0.00 41.25 40.89 1ux2 s ASN 42 CO -0.00 -0.36 1.75 -0.08 -2.79 0.00 0.00 177.10 175.62 1ux2 h GLU 43 N 8.28 0.00 -0.01 0.43 4.81 -1.89 -0.30 114.58 125.91 1ux2 h GLU 43 Ca -0.16 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1ux2 h GLU 43 Cb 1.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1ux2 h GLU 43 CO 0.37 0.31 -0.01 0.82 -0.73 0.00 0.00 179.01 179.77 1ux2 h ILE 44 N 0.00 1.42 -0.00 2.32 1.08 -1.97 -3.32 117.51 117.04 1ux2 h ILE 44 Ca -0.00 -1.26 0.00 0.00 -0.39 0.00 0.00 64.86 63.21 1ux2 h ILE 44 Cb 0.86 2.25 0.00 0.00 -3.07 0.00 0.00 36.82 36.87 1ux2 h ILE 44 CO 0.04 0.33 -0.42 0.35 -0.69 0.00 0.00 178.15 177.76 1ux2 n THR 45 N -4.81 0.00 -3.47 -0.27 -2.24 -1.21 -4.98 114.28 97.30 1ux2 n THR 45 Ca -0.08 -0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.51 1ux2 n THR 45 Cb 0.28 0.15 0.07 0.00 -2.10 0.00 0.00 70.33 68.73 1ux2 n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ux2 n ASN 46 N -1.45 -2.95 -4.07 3.42 3.02 -0.15 -4.95 115.26 108.13 1ux2 n ASN 46 Ca 0.06 -0.70 -0.21 0.00 -0.03 0.00 0.00 54.58 53.70 1ux2 n ASN 46 Cb 0.34 -4.83 -0.15 0.00 -0.61 0.00 0.00 39.78 34.53 1ux2 n ASN 46 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ux2 s GLU 47 N -5.33 0.96 0.05 3.52 2.02 -1.06 -2.08 118.70 116.78 1ux2 s GLU 47 Ca 0.12 -0.43 0.06 0.00 0.02 0.00 0.00 54.97 54.74 1ux2 s GLU 47 Cb -0.02 -0.93 -0.02 0.00 0.10 0.00 0.00 34.13 33.26 1ux2 s GLU 47 CO 0.76 0.25 -0.18 0.14 0.02 0.00 0.00 175.26 176.26 1ux2 s VAL 48 N -0.29 1.42 -0.21 2.63 -7.23 -0.27 -1.60 120.40 114.85 1ux2 s VAL 48 Ca 0.05 -1.15 -0.01 0.00 -1.81 0.00 0.00 61.98 59.05 1ux2 s VAL 48 Cb -0.05 -1.26 0.01 0.00 0.56 0.00 0.00 36.38 35.64 1ux2 s VAL 48 CO -0.00 0.08 -0.12 -0.62 -0.31 0.00 0.00 175.10 174.13 1ux2 s ASP 49 N -1.25 3.77 0.10 4.85 -1.08 0.58 -0.35 116.67 123.30 1ux2 s ASP 49 Ca 0.05 -0.56 0.03 0.00 -0.52 0.00 0.00 52.55 51.55 1ux2 s ASP 49 Cb -0.09 -1.61 -0.04 0.00 -1.46 0.00 0.00 42.92 39.72 1ux2 s ASP 49 CO 0.02 -0.02 -0.09 0.54 0.52 0.00 0.00 175.17 176.13 1ux2 s VAL 50 N 1.38 0.92 -0.10 1.11 0.11 -0.63 -0.24 120.40 122.95 1ux2 s VAL 50 Ca 0.05 -1.72 0.02 0.00 -2.93 0.00 0.00 61.98 57.39 1ux2 s VAL 50 Cb -0.14 -1.45 0.01 0.00 -1.53 0.00 0.00 36.38 33.28 1ux2 s VAL 50 CO -0.08 -0.63 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.23 1ux2 s VAL 51 N -2.71 1.43 -0.02 2.04 1.01 -0.03 -1.55 120.40 120.57 1ux2 s VAL 51 Ca 0.07 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 1ux2 s VAL 51 Cb -0.01 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.07 1ux2 s VAL 51 CO -0.01 0.43 0.22 0.72 0.00 0.00 0.00 175.10 176.46 1ux2 s PHE 52 N 0.95 -0.09 -0.19 5.22 -0.12 -0.20 -0.34 117.98 123.21 1ux2 s PHE 52 Ca -0.08 0.13 -0.28 0.00 -0.05 0.00 0.00 56.93 56.65 1ux2 s PHE 52 Cb -0.15 0.03 -0.00 0.00 -0.63 0.00 0.00 43.02 42.27 1ux2 s PHE 52 CO -0.01 -0.31 0.97 -1.58 -0.05 0.00 0.00 175.22 174.25 1ux2 s TRP 53 N -1.16 3.39 -1.01 3.49 0.51 0.38 -0.56 118.94 123.98 1ux2 s TRP 53 Ca -0.12 1.42 -0.14 0.00 -2.12 0.00 0.00 56.10 55.14 1ux2 s TRP 53 Cb -0.06 -3.18 0.20 0.00 -0.81 0.00 0.00 33.47 29.62 1ux2 s TRP 53 CO 0.02 -0.37 1.10 -1.14 -0.51 0.00 0.00 176.95 176.05 1ux2 s GLN 54 N 2.71 3.86 -0.37 4.98 0.74 -0.53 -1.35 119.66 129.70 1ux2 s GLN 54 Ca 0.43 -2.49 -0.29 0.00 0.05 0.00 0.00 55.36 53.06 1ux2 s GLN 54 Cb -0.16 -4.74 0.01 0.00 1.10 0.00 0.00 33.01 29.22 1ux2 s GLN 54 CO 0.10 -1.52 1.32 -1.14 -0.55 0.00 0.00 175.29 173.50 1ux2 s GLN 55 N 0.81 3.75 -0.11 1.67 0.74 -0.06 -3.94 119.66 122.52 1ux2 s GLN 55 Ca 0.31 1.02 0.01 0.00 0.05 0.00 0.00 55.36 56.75 1ux2 s GLN 55 Cb -0.07 -3.94 0.02 0.00 1.10 0.00 0.00 33.01 30.12 1ux2 s GLN 55 CO -0.07 -1.33 -0.15 0.99 -0.55 0.00 0.00 175.29 174.18 1ux2 s THR 56 N 4.80 1.50 0.07 -0.34 2.01 0.30 -1.01 115.64 122.98 1ux2 s THR 56 Ca 0.57 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.99 1ux2 s THR 56 Cb -0.14 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1ux2 s THR 56 CO 0.28 0.44 -0.16 0.42 -0.69 0.00 0.00 174.62 174.91 1ux2 s THR 57 N 1.07 1.30 0.27 -0.82 -4.23 -0.51 -0.37 115.64 112.34 1ux2 s THR 57 Ca -0.05 -1.29 -0.21 0.00 -1.18 0.00 0.00 61.69 58.96 1ux2 s THR 57 Cb -0.15 -1.20 0.03 0.00 1.34 0.00 0.00 72.50 72.53 1ux2 s THR 57 CO -0.03 -0.10 0.79 -1.66 -0.54 0.00 0.00 174.62 173.07 1ux2 s TRP 58 N -1.12 -0.13 -0.09 3.99 -2.14 -0.93 -0.62 118.94 117.91 1ux2 s TRP 58 Ca 0.02 -0.33 0.00 0.00 2.66 0.00 0.00 56.10 58.44 1ux2 s TRP 58 Cb -0.09 0.71 -0.03 0.00 -3.10 0.00 0.00 33.47 30.96 1ux2 s TRP 58 CO 0.02 -1.20 -0.08 0.45 -2.66 0.00 0.00 176.95 173.49 1ux2 s SER 59 N -2.96 4.56 -0.31 -2.66 0.15 -1.26 -0.02 113.70 111.20 1ux2 s SER 59 Ca 0.12 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.67 1ux2 s SER 59 Cb -0.05 -1.28 0.11 0.00 -1.71 0.00 0.00 66.02 63.10 1ux2 s SER 59 CO 0.07 0.31 0.15 -0.62 1.20 0.00 0.00 173.24 174.35 1ux2 s ASP 60 N -0.52 3.52 0.34 5.45 -1.08 0.83 -4.90 116.67 120.32 1ux2 s ASP 60 Ca 0.08 -1.61 0.26 0.00 -0.52 0.00 0.00 52.55 50.76 1ux2 s ASP 60 Cb -0.12 -0.50 1.11 0.00 -1.46 0.00 0.00 42.92 41.95 1ux2 s ASP 60 CO 0.02 -0.40 1.79 0.03 0.52 0.00 0.00 175.17 177.13 1ux2 h ARG 61 N 7.97 0.00 0.00 4.34 2.47 -1.85 -2.13 114.38 125.19 1ux2 h ARG 61 Ca -0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1ux2 h ARG 61 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 1ux2 h ARG 61 CO 0.41 0.00 0.00 0.25 0.56 0.00 0.00 179.97 181.19 1ux2 n THR 62 N -2.47 0.87 0.15 2.04 -2.24 -1.26 -2.12 114.28 109.24 1ux2 n THR 62 Ca 0.02 0.21 0.12 0.00 -2.27 0.00 0.00 64.05 62.12 1ux2 n THR 62 Cb 0.24 -0.98 0.05 0.00 -2.10 0.00 0.00 70.33 67.55 1ux2 n THR 62 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ux2 h LEU 63 N 0.00 0.00-10.02 3.22 3.38 -1.72 -3.47 115.31 106.70 1ux2 h LEU 63 Ca 0.00 -0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1ux2 h LEU 63 Cb 0.31 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.21 1ux2 h LEU 63 CO 0.00 0.00 0.52 0.00 0.09 0.00 0.00 178.44 179.05 1ux2 n ALA 64 N -2.15 1.29 -2.25 1.53 0.00 -0.90 -4.76 120.51 113.27 1ux2 n ALA 64 Ca 0.01 0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 1ux2 n ALA 64 Cb 0.54 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.58 1ux2 n ALA 64 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1ux2 s TRP 65 N -1.33 0.58 -0.39 0.00 -2.14 -0.66 -4.98 118.94 110.02 1ux2 s TRP 65 Ca 0.75 -0.94 -0.28 0.00 2.66 0.00 0.00 56.10 58.28 1ux2 s TRP 65 Cb -0.41 -0.39 -0.01 0.00 -3.10 0.00 0.00 33.47 29.55 1ux2 s TRP 65 CO 0.47 -0.29 1.75 1.21 -2.66 0.00 0.00 176.95 177.43 1ux2 s ASN 66 N -2.71 5.85 -0.27 -2.66 3.84 -1.26 -4.66 114.94 113.07 1ux2 s ASN 66 Ca 0.05 1.07 0.11 0.00 0.21 0.00 0.00 52.86 54.30 1ux2 s ASN 66 Cb 0.04 -2.53 0.56 0.00 -0.55 0.00 0.00 41.25 38.78 1ux2 s ASN 66 CO -0.07 -1.78 1.54 -1.54 -2.79 0.00 0.00 177.10 172.45 1ux2 n SER 67 N 10.50 3.42 -0.08 -4.21 3.41 -1.26 -4.58 113.62 120.82 1ux2 n SER 67 Ca 0.22 -3.42 0.01 0.00 -0.26 0.00 0.00 58.87 55.42 1ux2 n SER 67 Cb 0.48 -0.64 0.31 0.00 -0.26 0.00 0.00 64.21 64.10 1ux2 n SER 67 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ux2 h SER 68 N 1.51 0.64 -0.10 4.04 4.64 -1.94 -3.13 113.55 119.20 1ux2 h SER 68 Ca 0.19 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 1ux2 h SER 68 Cb 1.79 -0.16 -0.20 0.00 -0.31 0.00 0.00 62.40 63.52 1ux2 h SER 68 CO 0.45 0.53 -0.75 1.41 -0.87 0.00 0.00 176.83 177.59 1ux2 n HIS 69 N -4.39 0.35 -4.02 4.77 8.25 -1.26 -5.08 115.22 113.83 1ux2 n HIS 69 Ca 0.04 -1.27 -0.08 0.00 -0.26 0.00 0.00 57.72 56.16 1ux2 n HIS 69 Cb 0.11 -0.22 -0.09 0.00 1.12 0.00 0.00 29.99 30.90 1ux2 n HIS 69 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ux2 s SER 70 N -2.89 0.37 0.40 0.41 0.01 -1.19 -1.76 113.70 109.05 1ux2 s SER 70 Ca 0.37 -0.86 -0.24 0.00 1.31 0.00 0.00 55.95 56.53 1ux2 s SER 70 Cb 0.38 0.23 -0.11 0.00 0.21 0.00 0.00 66.02 66.72 1ux2 s SER 70 CO -0.09 -0.61 0.90 -2.65 0.41 0.00 0.00 173.24 171.21 1ux2 n PRO 71 N 0.20 1.15 -0.03 12.44 -0.02 -1.26 -4.74 135.00 142.73 1ux2 n PRO 71 Ca -0.15 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1ux2 n PRO 71 Cb 0.61 -1.88 0.11 0.00 -0.02 0.00 0.00 33.50 32.31 1ux2 n PRO 71 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ux2 n ASP 72 N 0.77 2.91 -3.82 2.55 3.85 -1.26 -4.81 116.55 116.73 1ux2 n ASP 72 Ca 0.10 -1.91 -0.12 0.00 -0.71 0.00 0.00 54.79 52.15 1ux2 n ASP 72 Cb 0.38 -0.05 -0.11 0.00 -1.35 0.00 0.00 41.12 39.99 1ux2 n ASP 72 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1ux2 s GLN 73 N -1.73 0.35 0.05 0.11 -0.21 -1.26 0.89 119.66 117.87 1ux2 s GLN 73 Ca 0.27 0.01 -0.03 0.00 0.02 0.00 0.00 55.36 55.63 1ux2 s GLN 73 Cb 0.19 0.16 -0.03 0.00 1.00 0.00 0.00 33.01 34.33 1ux2 s GLN 73 CO 0.28 -0.07 0.03 0.14 -2.12 0.00 0.00 175.29 173.55 1ux2 s VAL 74 N -0.51 0.18 -0.16 1.09 -7.23 -0.61 -5.00 120.40 108.17 1ux2 s VAL 74 Ca -0.06 -1.50 -0.13 0.00 -1.81 0.00 0.00 61.98 58.48 1ux2 s VAL 74 Cb -0.04 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 1ux2 s VAL 74 CO 0.01 -0.83 0.28 -0.44 -0.31 0.00 0.00 175.10 173.81 1ux2 s SER 75 N -2.65 6.43 -0.05 4.85 0.01 -1.26 -0.75 113.70 120.28 1ux2 s SER 75 Ca 0.03 0.50 0.03 0.00 1.31 0.00 0.00 55.95 57.82 1ux2 s SER 75 Cb 0.04 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 64.11 1ux2 s SER 75 CO -0.09 0.13 -0.12 -0.69 0.41 0.00 0.00 173.24 172.88 1ux2 s VAL 76 N 0.32 1.09 0.25 3.43 1.01 0.47 -4.94 120.40 122.04 1ux2 s VAL 76 Ca 0.16 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 1ux2 s VAL 76 Cb -0.13 -0.97 -0.13 0.00 0.00 0.00 0.00 36.38 35.15 1ux2 s VAL 76 CO 0.04 0.33 1.52 -2.65 0.00 0.00 0.00 175.10 174.34 1ux2 n PRO 77 N 3.46 2.35 0.32 2.72 -0.02 -1.26 -0.21 135.00 142.37 1ux2 n PRO 77 Ca -0.20 0.84 0.20 0.00 -2.02 0.00 0.00 63.50 62.32 1ux2 n PRO 77 Cb 0.53 -2.57 1.09 0.00 -0.02 0.00 0.00 33.50 32.52 1ux2 n PRO 77 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1ux2 h ILE 78 N 3.29 0.14 0.00 4.25 3.07 -1.82 -0.11 117.51 126.34 1ux2 h ILE 78 Ca -0.46 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 65.87 1ux2 h ILE 78 Cb 1.25 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 1ux2 h ILE 78 CO 0.80 0.01 0.00 0.77 -1.05 0.00 0.00 178.15 178.68 1ux2 h SER 79 N 0.00 0.00 -0.07 2.16 4.64 -1.89 -1.18 113.55 117.21 1ux2 h SER 79 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ux2 h SER 79 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1ux2 h SER 79 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1ux2 n SER 80 N -2.98 2.26 -4.31 4.97 7.64 -0.05 -4.88 113.62 116.26 1ux2 n SER 80 Ca -0.02 -1.76 -0.22 0.00 1.01 0.00 0.00 58.87 57.88 1ux2 n SER 80 Cb 0.12 -0.03 -0.12 0.00 -1.01 0.00 0.00 64.21 63.17 1ux2 n SER 80 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ux2 s LEU 81 N -1.91 2.39 0.26 -3.43 1.43 -0.45 -4.63 118.68 112.34 1ux2 s LEU 81 Ca 0.34 -0.80 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 1ux2 s LEU 81 Cb 0.20 -0.83 -0.09 0.00 0.03 0.00 0.00 46.19 45.50 1ux2 s LEU 81 CO 0.31 -0.01 1.22 0.86 0.23 0.00 0.00 176.35 178.96 1ux2 s TRP 82 N -1.76 3.33 -0.01 0.29 -0.00 -1.25 -4.64 118.94 114.89 1ux2 s TRP 82 Ca 0.12 1.47 0.02 0.00 -0.00 0.00 0.00 56.10 57.71 1ux2 s TRP 82 Cb -0.07 -3.49 -0.00 0.00 -0.00 0.00 0.00 33.47 29.91 1ux2 s TRP 82 CO 0.06 -1.32 -0.07 0.08 -0.00 0.00 0.00 176.95 175.69 1ux2 s VAL 83 N -0.70 0.60 0.29 5.86 1.01 -1.26 -5.06 120.40 121.15 1ux2 s VAL 83 Ca 0.50 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1ux2 s VAL 83 Cb -0.35 -0.53 -0.11 0.00 0.00 0.00 0.00 36.38 35.39 1ux2 s VAL 83 CO 0.43 0.18 1.55 -2.16 0.00 0.00 0.00 175.10 175.10 1ux2 s PRO 84 N 0.03 4.16 -0.58 2.72 0.04 -1.26 -4.89 135.00 135.22 1ux2 s PRO 84 Ca -0.00 2.51 -0.06 0.00 0.04 0.00 0.00 61.00 63.49 1ux2 s PRO 84 Cb -0.05 -3.04 -0.14 0.00 0.04 0.00 0.00 34.50 31.31 1ux2 s PRO 84 CO -0.00 -0.57 2.73 -0.40 0.04 0.00 0.00 177.00 178.80 1ux2 n ASP 85 N 2.03 5.29 -4.76 6.66 5.75 -1.26 -4.95 116.55 125.31 1ux2 n ASP 85 Ca 0.07 -2.34 -0.41 0.00 -0.01 0.00 0.00 54.79 52.11 1ux2 n ASP 85 Cb 0.38 -1.19 -0.03 0.00 -1.03 0.00 0.00 41.12 39.24 1ux2 n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1ux2 s LEU 86 N 0.06 4.49 0.00 -2.12 1.43 -1.26 -0.81 118.68 120.48 1ux2 s LEU 86 Ca 0.53 2.40 -0.00 0.00 -1.03 0.00 0.00 54.13 56.02 1ux2 s LEU 86 Cb 0.20 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.78 1ux2 s LEU 86 CO -0.02 -0.32 0.00 0.00 0.23 0.00 0.00 176.35 176.25 1ux2 s ALA 87 N -0.90 0.00 -0.13 4.21 0.00 0.24 -4.85 121.76 120.33 1ux2 s ALA 87 Ca 0.48 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1ux2 s ALA 87 Cb -0.35 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1ux2 s ALA 87 CO 0.44 -0.05 1.10 0.00 0.00 0.00 0.00 175.76 177.25 1ux2 s ALA 88 N -0.37 3.54 0.40 0.00 0.00 -1.26 -1.71 121.76 122.35 1ux2 s ALA 88 Ca -0.04 0.40 0.11 0.00 0.00 0.00 0.00 51.96 52.42 1ux2 s ALA 88 Cb -0.03 -3.51 0.83 0.00 0.00 0.00 0.00 23.12 20.41 1ux2 s ALA 88 CO -0.00 -0.85 1.93 1.88 0.00 0.00 0.00 175.76 178.72 1ux2 h TYR 89 N 7.45 0.19 -0.42 0.00 0.05 -0.67 -2.95 116.97 120.62 1ux2 h TYR 89 Ca -0.28 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1ux2 h TYR 89 Cb 1.12 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1ux2 h TYR 89 CO 0.74 0.32 0.00 0.27 -1.05 0.00 0.00 178.16 178.45 1ux2 n ASN 90 N -4.28 4.63 -4.77 3.88 6.94 -1.26 -4.99 115.26 115.41 1ux2 n ASN 90 Ca -0.01 -2.89 -0.41 0.00 -0.02 0.00 0.00 54.58 51.25 1ux2 n ASN 90 Cb 0.26 -0.59 -0.03 0.00 -2.36 0.00 0.00 39.78 37.07 1ux2 n ASN 90 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ux2 s ALA 91 N -2.64 3.48 -0.50 -2.53 0.00 -1.12 -1.55 121.76 116.91 1ux2 s ALA 91 Ca 0.47 1.18 0.06 0.00 0.00 0.00 0.00 51.96 53.67 1ux2 s ALA 91 Cb 0.36 -3.45 0.15 0.00 0.00 0.00 0.00 23.12 20.18 1ux2 s ALA 91 CO 0.13 -0.54 1.10 0.44 0.00 0.00 0.00 175.76 176.89 1ux2 n ILE 92 N 0.99 0.92 -4.00 0.00 -5.35 -0.20 -4.87 119.36 106.84 1ux2 n ILE 92 Ca 0.00 -0.96 -0.08 0.00 -0.27 0.00 0.00 62.75 61.44 1ux2 n ILE 92 Cb 0.42 0.55 -0.09 0.00 -1.74 0.00 0.00 39.64 38.78 1ux2 n ILE 92 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ux2 s SER 93 N -0.96 0.34 0.44 7.28 1.04 -1.23 -4.95 113.70 115.66 1ux2 s SER 93 Ca 0.12 -0.82 -0.25 0.00 0.48 0.00 0.00 55.95 55.47 1ux2 s SER 93 Cb 0.06 0.23 -0.08 0.00 0.10 0.00 0.00 66.02 66.33 1ux2 s SER 93 CO 0.08 -0.60 1.28 -0.54 0.98 0.00 0.00 173.24 174.44 1ux2 s LYS 94 N -3.59 3.81 0.07 4.02 1.02 -1.26 -4.66 119.74 119.14 1ux2 s LYS 94 Ca 0.04 2.09 -0.31 0.00 0.02 0.00 0.00 55.97 57.81 1ux2 s LYS 94 Cb 0.05 -2.62 -0.08 0.00 -0.52 0.00 0.00 37.83 34.66 1ux2 s LYS 94 CO -0.09 -0.60 1.65 -1.25 -0.92 0.00 0.00 175.35 174.14 1ux2 s PRO 95 N -2.42 4.20 -0.47 -1.68 0.04 -1.26 -4.78 135.00 128.63 1ux2 s PRO 95 Ca 0.60 2.32 -0.17 0.00 0.04 0.00 0.00 61.00 63.79 1ux2 s PRO 95 Cb -0.36 -3.60 0.05 0.00 0.04 0.00 0.00 34.50 30.63 1ux2 s PRO 95 CO 0.46 -0.73 0.47 -2.00 0.04 0.00 0.00 177.00 175.23 1ux2 s GLU 96 N 2.63 3.05 -0.23 4.56 2.12 -0.47 -4.97 118.70 125.39 1ux2 s GLU 96 Ca 0.74 -1.05 -0.28 0.00 0.36 0.00 0.00 54.97 54.73 1ux2 s GLU 96 Cb -0.40 -4.07 0.01 0.00 0.26 0.00 0.00 34.13 29.93 1ux2 s GLU 96 CO 0.32 -1.02 1.00 0.08 -0.54 0.00 0.00 175.26 175.10 1ux2 s VAL 97 N 2.05 4.71 -0.61 3.70 1.01 -1.26 -0.85 120.40 129.15 1ux2 s VAL 97 Ca 0.09 1.94 0.24 0.00 0.00 0.00 0.00 61.98 64.25 1ux2 s VAL 97 Cb -0.21 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1ux2 s VAL 97 CO 0.10 -0.15 1.21 0.18 0.00 0.00 0.00 175.10 176.44 1ux2 n LEU 98 N 6.20 0.67 -4.54 3.92 4.77 0.18 -4.97 117.00 123.24 1ux2 n LEU 98 Ca 0.11 0.15 -0.24 0.00 -0.03 0.00 0.00 56.01 56.00 1ux2 n LEU 98 Cb 0.46 -0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1ux2 n LEU 98 CO 0.51 -0.03 -0.41 0.42 -1.33 0.00 0.00 177.39 176.56 1ux2 s THR 99 N -3.18 2.74 0.21 -5.08 -4.23 -1.25 -4.98 115.64 99.86 1ux2 s THR 99 Ca 0.05 -2.21 -0.32 0.00 -1.18 0.00 0.00 61.69 58.04 1ux2 s THR 99 Cb 0.14 -2.54 -0.14 0.00 1.34 0.00 0.00 72.50 71.29 1ux2 s THR 99 CO 0.75 -0.35 1.30 -2.65 -0.54 0.00 0.00 174.62 173.12 1ux2 n PRO 100 N -0.75 1.63 -2.19 3.99 -0.02 -1.26 -4.84 135.00 131.56 1ux2 n PRO 100 Ca -0.05 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1ux2 n PRO 100 Cb 0.60 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1ux2 n PRO 100 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ux2 n GLN 101 N 1.92 3.37 -4.66 -0.52 6.02 -1.26 -4.90 117.38 117.36 1ux2 n GLN 101 Ca 0.13 -3.26 -0.24 0.00 -0.01 0.00 0.00 57.00 53.62 1ux2 n GLN 101 Cb 0.28 -3.05 -0.15 0.00 1.02 0.00 0.00 30.24 28.35 1ux2 n GLN 101 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ux2 s LEU 102 N 0.73 2.10 0.32 1.08 1.43 -1.26 -2.43 118.68 120.65 1ux2 s LEU 102 Ca 0.42 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 53.21 1ux2 s LEU 102 Cb 0.10 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1ux2 s LEU 102 CO -0.02 0.16 0.07 0.00 0.23 0.00 0.00 176.35 176.79 1ux2 s ALA 103 N -0.61 3.34 -0.20 4.21 0.00 0.71 -4.70 121.76 124.51 1ux2 s ALA 103 Ca 0.06 -1.80 -0.07 0.00 0.00 0.00 0.00 51.96 50.15 1ux2 s ALA 103 Cb -0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1ux2 s ALA 103 CO 0.00 0.11 0.06 0.50 0.00 0.00 0.00 175.76 176.44 1ux2 s ARG 104 N -3.77 3.86 -0.13 0.00 6.06 0.06 -0.39 118.95 124.65 1ux2 s ARG 104 Ca 0.35 -0.39 0.02 0.00 -2.50 0.00 0.00 55.73 53.20 1ux2 s ARG 104 Cb -0.03 -3.24 -0.00 0.00 0.06 0.00 0.00 34.95 31.74 1ux2 s ARG 104 CO 0.21 0.12 -0.19 0.08 -2.50 0.00 0.00 175.30 173.03 1ux2 s VAL 105 N 0.77 2.46 0.13 7.11 1.01 0.07 -0.17 120.40 131.79 1ux2 s VAL 105 Ca 0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1ux2 s VAL 105 Cb -0.13 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1ux2 s VAL 105 CO 0.02 0.54 0.36 -0.69 0.00 0.00 0.00 175.10 175.33 1ux2 s VAL 106 N 0.54 5.19 0.14 2.92 1.01 0.13 -1.57 120.40 128.75 1ux2 s VAL 106 Ca -0.12 -0.00 0.23 0.00 0.00 0.00 0.00 61.98 62.10 1ux2 s VAL 106 Cb -0.16 -3.62 0.23 0.00 0.00 0.00 0.00 36.38 32.83 1ux2 s VAL 106 CO 0.04 0.05 1.68 0.77 0.00 0.00 0.00 175.10 177.64 1ux2 h SER 107 N 2.86 0.00 -0.06 3.32 4.64 0.19 0.59 113.55 125.09 1ux2 h SER 107 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1ux2 h SER 107 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ux2 h SER 107 CO 0.73 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.79 1ux2 n ASP 108 N -2.41 1.38 0.00 4.97 5.75 -1.26 -1.65 116.55 123.33 1ux2 n ASP 108 Ca -0.02 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1ux2 n ASP 108 Cb 0.20 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1ux2 n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ux2 n GLY 109 N 1.13 0.54 3.73 6.12 0.00 0.20 -4.71 105.19 112.21 1ux2 n GLY 109 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1ux2 n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ux2 s GLU 110 N -0.87 4.42 -0.06 1.61 8.01 -1.25 -0.12 118.70 130.45 1ux2 s GLU 110 Ca 0.00 1.98 0.03 0.00 0.01 0.00 0.00 54.97 56.99 1ux2 s GLU 110 Cb 0.00 -3.22 -0.02 0.00 -4.31 0.00 0.00 34.13 26.57 1ux2 s GLU 110 CO 0.00 -0.21 -0.15 0.08 0.01 0.00 0.00 175.26 175.00 1ux2 s VAL 111 N 0.16 3.03 -0.20 2.63 1.01 0.98 -0.70 120.40 127.30 1ux2 s VAL 111 Ca 0.56 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 1ux2 s VAL 111 Cb -0.35 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 33.89 1ux2 s VAL 111 CO 0.37 0.58 -0.04 -0.76 0.00 0.00 0.00 175.10 175.25 1ux2 s LEU 112 N -0.56 1.99 -0.18 3.92 1.43 0.76 -2.19 118.68 123.85 1ux2 s LEU 112 Ca 0.08 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.25 1ux2 s LEU 112 Cb -0.11 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.15 1ux2 s LEU 112 CO 0.01 -0.23 -0.19 -0.47 0.23 0.00 0.00 176.35 175.71 1ux2 s TYR 113 N 1.56 2.71 -0.52 0.29 5.04 0.50 -0.76 117.35 126.17 1ux2 s TYR 113 Ca -0.03 -1.62 0.06 0.00 -2.44 0.00 0.00 57.07 53.04 1ux2 s TYR 113 Cb -0.17 -1.87 0.21 0.00 0.35 0.00 0.00 41.96 40.47 1ux2 s TYR 113 CO -0.07 -0.79 0.51 -0.12 -1.34 0.00 0.00 175.55 173.73 1ux2 n MET 114 N 4.63 1.18 -2.23 4.97 0.00 -1.26 -0.54 117.12 123.88 1ux2 n MET 114 Ca -0.20 -3.80 -0.37 0.00 -0.00 0.00 0.00 57.70 53.33 1ux2 n MET 114 Cb 0.50 -1.82 -0.01 0.00 0.00 0.00 0.00 33.22 31.89 1ux2 n MET 114 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1ux2 s PRO 115 N -1.13 3.72 -0.16 2.12 0.04 -1.25 -4.77 135.00 133.56 1ux2 s PRO 115 Ca 0.33 1.80 -0.20 0.00 0.04 0.00 0.00 61.00 62.96 1ux2 s PRO 115 Cb 0.08 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 1ux2 s PRO 115 CO -0.13 -0.59 0.59 0.45 0.04 0.00 0.00 177.00 177.35 1ux2 s SER 116 N -1.34 6.70 -0.09 6.66 0.15 -1.26 -1.45 113.70 123.06 1ux2 s SER 116 Ca 0.64 0.85 0.03 0.00 0.70 0.00 0.00 55.95 58.17 1ux2 s SER 116 Cb -0.29 -2.33 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 1ux2 s SER 116 CO 0.35 -0.18 -0.20 -0.63 1.20 0.00 0.00 173.24 173.78 1ux2 s ILE 117 N 1.46 1.78 -0.21 6.45 1.01 0.28 0.51 121.20 132.49 1ux2 s ILE 117 Ca 0.28 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 1ux2 s ILE 117 Cb -0.16 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 1ux2 s ILE 117 CO 0.11 0.50 0.16 -0.60 0.00 0.00 0.00 174.94 175.11 1ux2 s ARG 118 N 0.50 4.17 -0.07 2.79 3.52 -0.03 -1.03 118.95 128.80 1ux2 s ARG 118 Ca -0.16 -0.19 -0.23 0.00 -0.13 0.00 0.00 55.73 55.02 1ux2 s ARG 118 Cb -0.17 -3.45 0.05 0.00 -1.56 0.00 0.00 34.95 29.82 1ux2 s ARG 118 CO 0.06 0.22 0.53 -1.14 -0.81 0.00 0.00 175.30 174.16 1ux2 s GLN 119 N 0.58 0.85 -0.02 5.12 0.74 -0.59 -1.36 119.66 124.96 1ux2 s GLN 119 Ca 0.09 0.20 -0.01 0.00 0.05 0.00 0.00 55.36 55.69 1ux2 s GLN 119 Cb -0.12 0.40 -0.04 0.00 1.10 0.00 0.00 33.01 34.35 1ux2 s GLN 119 CO 0.01 -0.23 0.07 1.03 -0.55 0.00 0.00 175.29 175.61 1ux2 s ARG 120 N -0.96 3.06 0.03 1.67 0.52 -1.26 -1.60 118.95 120.42 1ux2 s ARG 120 Ca -0.10 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 54.68 1ux2 s ARG 120 Cb -0.03 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 1ux2 s ARG 120 CO 0.06 0.66 -0.08 -0.06 0.02 0.00 0.00 175.30 175.90 1ux2 s PHE 121 N -1.13 0.72 -0.35 -0.53 0.08 0.53 -1.03 117.98 116.27 1ux2 s PHE 121 Ca 0.21 -0.37 -0.16 0.00 0.12 0.00 0.00 56.93 56.72 1ux2 s PHE 121 Cb -0.12 -0.43 -0.01 0.00 -0.57 0.00 0.00 43.02 41.89 1ux2 s PHE 121 CO 0.11 -0.04 0.39 0.45 -0.10 0.00 0.00 175.22 176.03 1ux2 s SER 122 N -1.16 6.20 0.35 1.36 0.15 -0.59 -1.12 113.70 118.89 1ux2 s SER 122 Ca -0.05 -0.24 -0.16 0.00 0.70 0.00 0.00 55.95 56.20 1ux2 s SER 122 Cb -0.08 -2.21 0.04 0.00 -1.71 0.00 0.00 66.02 62.07 1ux2 s SER 122 CO 0.00 -0.38 0.75 0.00 1.20 0.00 0.00 173.24 174.82 1ux2 s ASP 124 N -3.04 6.22 0.00 0.00 -1.08 -1.26 -4.37 116.67 113.15 1ux2 s ASP 124 Ca 0.15 1.06 0.19 0.00 -0.52 0.00 0.00 52.55 53.44 1ux2 s ASP 124 Cb -0.05 -2.53 -0.12 0.00 -1.46 0.00 0.00 42.92 38.76 1ux2 s ASP 124 CO 0.11 -1.48 0.88 0.52 0.52 0.00 0.00 175.17 175.71 1ux2 n VAL 125 N 7.08 0.00 -1.73 1.11 0.31 -1.26 -3.81 118.33 120.02 1ux2 n VAL 125 Ca 0.19 -0.16 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 1ux2 n VAL 125 Cb 0.47 1.10 -0.01 0.00 -0.91 0.00 0.00 33.84 34.49 1ux2 n VAL 125 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1ux2 n SER 126 N -0.83 3.45 0.00 4.52 3.41 -1.26 -2.01 113.62 120.90 1ux2 n SER 126 Ca 0.06 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 1ux2 n SER 126 Cb 0.34 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.74 1ux2 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ux2 n GLY 127 N 1.35 0.76 0.37 5.00 0.00 -1.26 -4.14 105.19 107.27 1ux2 n GLY 127 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 1ux2 n GLY 127 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ux2 h VAL 128 N 0.00 0.83 -0.87 1.61 3.04 -1.61 -1.21 116.25 118.05 1ux2 h VAL 128 Ca 0.00 -0.12 -0.37 0.00 -1.01 0.00 0.00 66.70 65.20 1ux2 h VAL 128 Cb 0.00 0.47 -0.22 0.00 -2.01 0.00 0.00 31.29 29.52 1ux2 h VAL 128 CO 0.00 0.06 0.47 -0.67 -1.01 0.00 0.00 177.57 176.42 1ux2 n ASP 129 N -4.46 4.25 -4.72 3.17 2.03 -1.26 -1.00 116.55 114.56 1ux2 n ASP 129 Ca 0.11 -3.44 -0.26 0.00 0.52 0.00 0.00 54.79 51.72 1ux2 n ASP 129 Cb 0.47 -0.79 -0.08 0.00 -0.72 0.00 0.00 41.12 39.99 1ux2 n ASP 129 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ux2 s THR 130 N -3.16 2.10 0.27 5.18 -4.23 -0.46 -4.97 115.64 110.36 1ux2 s THR 130 Ca 0.56 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 1ux2 s THR 130 Cb 0.46 -2.89 0.08 0.00 1.34 0.00 0.00 72.50 71.50 1ux2 s THR 130 CO 0.12 0.00 1.73 -0.33 -0.54 0.00 0.00 174.62 175.60 1ux2 h GLU 131 N 1.48 0.61 -0.03 3.99 5.08 -1.91 -2.55 114.58 121.24 1ux2 h GLU 131 Ca -0.43 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 57.64 1ux2 h GLU 131 Cb 1.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1ux2 h GLU 131 CO 0.73 0.74 -0.39 0.77 -1.00 0.00 0.00 179.01 179.86 1ux2 h SER 132 N 0.56 0.07 -3.89 1.42 0.02 -1.97 -3.49 113.55 106.26 1ux2 h SER 132 Ca 0.09 -0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1ux2 h SER 132 Cb 0.58 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1ux2 h SER 132 CO 0.04 0.46 -0.06 0.61 -1.14 0.00 0.00 176.83 176.74 1ux2 n GLY 133 N -0.35 -2.21 3.93 -3.77 0.00 -0.96 -4.82 105.19 97.02 1ux2 n GLY 133 Ca -0.02 -1.49 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 1ux2 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ux2 s ALA 134 N -1.15 3.71 -0.26 4.61 0.00 0.79 -4.39 121.76 125.07 1ux2 s ALA 134 Ca 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1ux2 s ALA 134 Cb 0.00 -2.12 0.07 0.00 0.00 0.00 0.00 23.12 21.07 1ux2 s ALA 134 CO 0.00 0.10 -0.01 0.99 0.00 0.00 0.00 175.76 176.83 1ux2 s THR 135 N -2.21 1.55 -0.28 0.00 2.01 -1.25 -1.13 115.64 114.33 1ux2 s THR 135 Ca 0.40 -1.44 -0.11 0.00 0.31 0.00 0.00 61.69 60.86 1ux2 s THR 135 Cb -0.10 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 1ux2 s THR 135 CO 0.34 -0.27 0.19 0.00 -0.69 0.00 0.00 174.62 174.18 1ux2 s ARG 137 N 1.75 4.03 -0.18 0.00 0.52 -1.26 0.26 118.95 124.07 1ux2 s ARG 137 Ca 0.07 -0.30 -0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1ux2 s ARG 137 Cb -0.16 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.85 1ux2 s ARG 137 CO 0.11 0.09 -0.14 0.42 0.02 0.00 0.00 175.30 175.80 1ux2 s ILE 138 N 0.94 2.70 -0.27 1.52 1.01 0.25 -4.86 121.20 122.48 1ux2 s ILE 138 Ca 0.07 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 1ux2 s ILE 138 Cb -0.13 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1ux2 s ILE 138 CO 0.03 0.50 0.13 -0.54 0.00 0.00 0.00 174.94 175.06 1ux2 s LYS 139 N 1.11 3.73 -0.14 2.79 1.02 -1.26 0.12 119.74 127.10 1ux2 s LYS 139 Ca 0.00 -0.45 -0.00 0.00 0.02 0.00 0.00 55.97 55.54 1ux2 s LYS 139 Cb -0.14 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.67 1ux2 s LYS 139 CO -0.04 -0.22 -0.13 0.42 -0.92 0.00 0.00 175.35 174.45 1ux2 s ILE 140 N 1.67 2.91 0.31 2.17 1.01 -0.28 0.14 121.20 129.14 1ux2 s ILE 140 Ca 0.06 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1ux2 s ILE 140 Cb -0.16 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.09 1ux2 s ILE 140 CO 0.07 0.51 0.51 -0.83 0.00 0.00 0.00 174.94 175.20 1ux2 s GLY 141 N 0.60 1.04 0.19 6.18 0.00 -0.70 -1.09 107.32 113.54 1ux2 s GLY 141 Ca -0.08 -1.22 -0.31 0.00 0.00 0.00 0.00 44.72 43.11 1ux2 s GLY 141 CO 0.03 -0.80 1.57 -0.45 0.00 0.00 0.00 173.10 173.45 1ux2 s SER 142 N -3.14 6.55 0.22 1.64 0.15 -1.26 -0.59 113.70 117.27 1ux2 s SER 142 Ca 0.26 2.68 -0.05 0.00 0.70 0.00 0.00 55.95 59.54 1ux2 s SER 142 Cb -0.01 -2.60 0.20 0.00 -1.71 0.00 0.00 66.02 61.90 1ux2 s SER 142 CO 0.15 -0.83 1.67 -0.25 1.20 0.00 0.00 173.24 175.18 1ux2 h TRP 143 N 6.39 0.95 0.00 3.44 2.91 -1.30 -3.39 115.95 124.95 1ux2 h TRP 143 Ca -0.43 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 59.41 1ux2 h TRP 143 Cb 1.21 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.62 1ux2 h TRP 143 CO 0.64 0.91 0.00 0.25 -1.03 0.00 0.00 178.44 179.21 1ux2 n THR 144 N -4.16 0.00 -3.81 2.65 -2.24 -1.26 -5.01 114.28 100.45 1ux2 n THR 144 Ca 0.02 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.18 1ux2 n THR 144 Cb 0.37 1.16 -0.13 0.00 -2.10 0.00 0.00 70.33 69.63 1ux2 n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ux2 s HIS 145 N -0.34 3.04 0.92 4.78 3.76 -1.26 -5.10 115.29 121.09 1ux2 s HIS 145 Ca 0.00 -0.62 -0.16 0.00 -0.15 0.00 0.00 55.06 54.13 1ux2 s HIS 145 Cb 0.00 -2.19 0.22 0.00 1.11 0.00 0.00 32.58 31.72 1ux2 s HIS 145 CO 0.00 -0.43 1.11 -2.39 -0.85 0.00 0.00 174.74 172.17 1ux2 n HIS 146 N 4.88 -3.94 0.31 1.40 1.44 -1.26 -4.56 115.22 113.48 1ux2 n HIS 146 Ca -0.17 -0.98 0.19 0.00 -2.01 0.00 0.00 57.72 54.75 1ux2 n HIS 146 Cb 0.51 -0.93 0.97 0.00 0.12 0.00 0.00 29.99 30.66 1ux2 n HIS 146 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1ux2 h SER 147 N -1.81 0.00 1.29 4.39 4.64 -0.83 0.29 113.55 121.52 1ux2 h SER 147 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1ux2 h SER 147 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1ux2 h SER 147 CO 0.26 0.03 0.00 0.03 -0.87 0.00 0.00 176.83 176.27 1ux2 h ARG 148 N 0.00 0.00 0.00 4.77 3.08 -1.94 -3.38 114.38 116.91 1ux2 h ARG 148 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1ux2 h ARG 148 Cb 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1ux2 h ARG 148 CO 0.00 0.00 -1.78 0.39 -1.07 0.00 0.00 179.97 177.51 1ux2 n GLU 149 N -2.31 0.46 -3.95 0.04 1.02 -0.17 -2.97 120.64 112.75 1ux2 n GLU 149 Ca 0.04 0.07 -0.24 0.00 -0.02 0.00 0.00 57.16 57.01 1ux2 n GLU 149 Cb 0.38 -1.27 -0.17 0.00 -0.02 0.00 0.00 31.44 30.35 1ux2 n GLU 149 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ux2 s ILE 150 N -2.27 0.75 0.01 -3.67 1.01 -0.09 -0.76 121.20 116.19 1ux2 s ILE 150 Ca -0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 1ux2 s ILE 150 Cb 0.05 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1ux2 s ILE 150 CO 0.32 0.31 0.17 -0.94 0.00 0.00 0.00 174.94 174.81 1ux2 s SER 151 N 1.60 6.25 -0.10 3.58 1.04 -0.27 -4.00 113.70 121.81 1ux2 s SER 151 Ca 0.01 0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.75 1ux2 s SER 151 Cb -0.13 -1.93 0.01 0.00 0.10 0.00 0.00 66.02 64.08 1ux2 s SER 151 CO -0.05 0.24 -0.15 -0.69 0.98 0.00 0.00 173.24 173.57 1ux2 s VAL 152 N -1.36 1.42 0.03 5.02 1.01 -1.26 -1.02 120.40 124.25 1ux2 s VAL 152 Ca 0.29 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1ux2 s VAL 152 Cb -0.13 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1ux2 s VAL 152 CO 0.21 0.42 -0.07 -1.81 0.00 0.00 0.00 175.10 173.85 1ux2 s ASP 153 N 0.95 0.77 0.62 3.32 1.11 -0.37 -4.69 116.67 118.37 1ux2 s ASP 153 Ca -0.08 -0.43 -0.17 0.00 0.18 0.00 0.00 52.55 52.05 1ux2 s ASP 153 Cb -0.15 0.01 -0.02 0.00 1.07 0.00 0.00 42.92 43.83 1ux2 s ASP 153 CO -0.01 -0.14 1.13 -2.84 1.18 0.00 0.00 175.17 174.49 1ux2 s PRO 154 N -1.21 2.98 0.74 8.23 0.02 -1.26 -0.77 135.00 143.73 1ux2 s PRO 154 Ca -0.07 1.51 -0.12 0.00 0.02 0.00 0.00 61.00 62.35 1ux2 s PRO 154 Cb -0.08 -1.96 0.04 0.00 0.02 0.00 0.00 34.50 32.51 1ux2 s PRO 154 CO 0.00 -1.13 1.11 -0.08 -0.33 0.00 0.00 177.00 176.57 1ux2 s THR 155 N -2.07 3.18 0.22 0.99 -1.32 -1.24 -4.81 115.64 110.59 1ux2 s THR 155 Ca 0.70 0.38 -0.30 0.00 -1.21 0.00 0.00 61.69 61.26 1ux2 s THR 155 Cb -0.23 -3.33 -0.09 0.00 -1.51 0.00 0.00 72.50 67.34 1ux2 s THR 155 CO 0.36 -0.50 1.36 -0.89 -2.21 0.00 0.00 174.62 172.74 1ux2 s THR 156 N -3.35 2.98 -0.38 5.08 2.01 -1.26 -4.87 115.64 115.84 1ux2 s THR 156 Ca 0.59 0.82 -0.28 0.00 0.31 0.00 0.00 61.69 63.13 1ux2 s THR 156 Cb -0.12 -3.52 -0.29 0.00 0.01 0.00 0.00 72.50 68.58 1ux2 s THR 156 CO 0.52 0.13 1.75 1.21 -0.69 0.00 0.00 174.62 177.54 1ux2 n GLU 157 N 2.46 0.50 -0.26 4.92 2.13 -1.26 -4.62 120.64 124.51 1ux2 n GLU 157 Ca 0.06 -1.38 0.07 0.00 0.66 0.00 0.00 57.16 56.58 1ux2 n GLU 157 Cb 0.42 -2.83 0.18 0.00 0.27 0.00 0.00 31.44 29.48 1ux2 n GLU 157 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ux2 n ASN 158 N 10.01 3.17 -3.81 4.31 4.13 -1.26 -5.02 115.26 126.79 1ux2 n ASN 158 Ca 0.47 -2.66 -0.12 0.00 1.68 0.00 0.00 54.58 53.95 1ux2 n ASN 158 Cb 0.42 -0.39 -0.11 0.00 -1.54 0.00 0.00 39.78 38.16 1ux2 n ASN 158 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1ux2 s SER 159 N -1.76 -0.17 0.54 6.41 1.04 -1.26 -5.15 113.70 113.34 1ux2 s SER 159 Ca 0.31 0.28 -0.22 0.00 0.48 0.00 0.00 55.95 56.80 1ux2 s SER 159 Cb 0.24 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.68 1ux2 s SER 159 CO 0.09 -0.14 1.34 -0.62 0.98 0.00 0.00 173.24 174.88 1ux2 s ASP 160 N -0.24 5.36 0.07 7.02 2.15 -1.26 -4.95 116.67 124.83 1ux2 s ASP 160 Ca -0.03 2.72 -0.19 0.00 0.43 0.00 0.00 52.55 55.48 1ux2 s ASP 160 Cb -0.03 -2.63 -0.10 0.00 -0.30 0.00 0.00 42.92 39.86 1ux2 s ASP 160 CO 0.01 -1.50 1.47 0.44 -0.17 0.00 0.00 175.17 175.41 1ux2 h ASP 161 N 1.52 0.45 -0.35 -0.34 3.45 -1.98 -2.95 116.42 116.24 1ux2 h ASP 161 Ca -0.51 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 56.58 1ux2 h ASP 161 Cb 1.29 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 1ux2 h ASP 161 CO 0.58 0.72 0.00 -1.20 -1.57 0.00 0.00 179.24 177.76 1ux2 n SER 162 N -4.58 1.90 -0.28 6.45 7.64 -1.26 -4.53 113.62 118.97 1ux2 n SER 162 Ca -0.04 -1.98 0.03 0.00 1.01 0.00 0.00 58.87 57.89 1ux2 n SER 162 Cb 0.29 -0.23 0.12 0.00 -1.01 0.00 0.00 64.21 63.38 1ux2 n SER 162 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1ux2 h GLU 163 N 2.11 0.01 -0.02 1.43 5.08 -1.88 -2.44 114.58 118.88 1ux2 h GLU 163 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ux2 h GLU 163 Cb 0.48 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ux2 h GLU 163 CO 0.00 0.01 -0.05 0.66 -1.00 0.00 0.00 179.01 178.62 1ux2 n TYR 164 N -5.49 0.00 -2.29 4.33 4.01 -1.26 -5.01 117.16 111.44 1ux2 n TYR 164 Ca 0.12 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.45 1ux2 n TYR 164 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.43 1ux2 n TYR 164 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1ux2 s PHE 165 N -1.29 3.33 0.11 -0.72 5.36 -0.92 -4.62 117.98 119.24 1ux2 s PHE 165 Ca 0.16 1.43 -0.31 0.00 -0.96 0.00 0.00 56.93 57.24 1ux2 s PHE 165 Cb 0.12 -3.50 -0.10 0.00 -0.34 0.00 0.00 43.02 39.20 1ux2 s PHE 165 CO 0.21 -1.40 1.75 0.45 -1.46 0.00 0.00 175.22 174.78 1ux2 s SER 166 N -0.18 6.49 0.03 6.13 0.15 0.89 -4.88 113.70 122.33 1ux2 s SER 166 Ca 0.51 2.67 0.14 0.00 0.70 0.00 0.00 55.95 59.97 1ux2 s SER 166 Cb -0.35 -2.57 0.60 0.00 -1.71 0.00 0.00 66.02 61.99 1ux2 s SER 166 CO 0.42 -0.95 1.44 0.00 1.20 0.00 0.00 173.24 175.35 1ux2 n GLN 167 N 5.45 0.02 0.00 5.44 10.64 -1.26 -2.95 117.38 134.72 1ux2 n GLN 167 Ca 0.17 0.30 0.11 0.00 -1.83 0.00 0.00 57.00 55.74 1ux2 n GLN 167 Cb 0.39 -1.54 -0.06 0.00 -0.86 0.00 0.00 30.24 28.17 1ux2 n GLN 167 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1ux2 n TYR 168 N -1.58 0.00 -1.61 2.61 4.01 -1.26 -4.95 117.16 114.39 1ux2 n TYR 168 Ca 0.03 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.38 1ux2 n TYR 168 Cb 0.16 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.21 1ux2 n TYR 168 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ux2 n SER 169 N -0.91 0.90 0.24 7.72 2.88 -1.15 -4.89 113.62 118.39 1ux2 n SER 169 Ca 0.06 0.90 0.16 0.00 -1.33 0.00 0.00 58.87 58.67 1ux2 n SER 169 Cb 0.38 -1.36 0.75 0.00 -0.75 0.00 0.00 64.21 63.23 1ux2 n SER 169 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ux2 h ARG 170 N 0.96 0.00 -6.19 -1.46 3.08 -1.92 -3.45 114.38 105.39 1ux2 h ARG 170 Ca -0.47 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.03 1ux2 h ARG 170 Cb 1.35 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.31 1ux2 h ARG 170 CO 0.53 0.00 -0.64 -0.06 -1.07 0.00 0.00 179.97 178.74 1ux2 s PHE 171 N -3.67 2.70 0.08 3.04 0.08 -1.26 -1.34 117.98 117.61 1ux2 s PHE 171 Ca 0.00 -0.23 0.07 0.00 0.12 0.00 0.00 56.93 56.89 1ux2 s PHE 171 Cb 0.10 -1.22 -0.03 0.00 -0.57 0.00 0.00 43.02 41.29 1ux2 s PHE 171 CO 0.43 0.60 -0.19 -1.83 -0.10 0.00 0.00 175.22 174.13 1ux2 s GLU 172 N -3.69 1.10 -0.12 0.44 -1.05 0.01 -4.84 118.70 110.55 1ux2 s GLU 172 Ca 0.32 -1.05 -0.22 0.00 -0.15 0.00 0.00 54.97 53.87 1ux2 s GLU 172 Cb -0.06 -1.27 -0.03 0.00 -0.44 0.00 0.00 34.13 32.33 1ux2 s GLU 172 CO 0.20 0.30 0.67 0.42 0.95 0.00 0.00 175.26 177.80 1ux2 s ILE 173 N -1.09 5.04 -0.14 1.83 1.01 -1.26 -1.66 121.20 124.93 1ux2 s ILE 173 Ca 0.05 1.33 -0.03 0.00 0.00 0.00 0.00 60.65 61.99 1ux2 s ILE 173 Cb -0.10 -3.99 -0.24 0.00 0.01 0.00 0.00 42.46 38.13 1ux2 s ILE 173 CO 0.03 0.19 0.30 0.18 0.00 0.00 0.00 174.94 175.64 1ux2 n LEU 174 N 4.32 2.49 -3.62 2.97 4.77 0.68 -4.88 117.00 123.73 1ux2 n LEU 174 Ca -0.01 0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 1ux2 n LEU 174 Cb 0.51 -0.94 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 1ux2 n LEU 174 CO 0.46 0.82 0.84 -0.62 -1.33 0.00 0.00 177.39 177.56 1ux2 s ASP 175 N -6.85 -0.34 -0.11 -1.43 -1.08 -0.99 -5.03 116.67 100.84 1ux2 s ASP 175 Ca -0.23 0.57 0.03 0.00 -0.52 0.00 0.00 52.55 52.40 1ux2 s ASP 175 Cb 0.07 0.54 0.01 0.00 -1.46 0.00 0.00 42.92 42.08 1ux2 s ASP 175 CO 0.75 -0.18 -0.19 -0.69 0.52 0.00 0.00 175.17 175.38 1ux2 s VAL 176 N -0.27 1.76 -0.01 1.11 1.01 -1.26 -0.12 120.40 122.63 1ux2 s VAL 176 Ca 0.03 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1ux2 s VAL 176 Cb -0.03 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1ux2 s VAL 176 CO -0.05 0.49 -0.17 0.42 0.00 0.00 0.00 175.10 175.79 1ux2 s THR 177 N 0.74 1.32 -0.11 3.92 -4.23 -0.01 -4.95 115.64 112.32 1ux2 s THR 177 Ca -0.11 -0.74 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 1ux2 s THR 177 Cb -0.16 -1.10 0.02 0.00 1.34 0.00 0.00 72.50 72.60 1ux2 s THR 177 CO 0.01 0.35 -0.11 -1.10 -0.54 0.00 0.00 174.62 173.23 1ux2 s GLN 178 N -0.46 1.86 0.07 3.99 -0.21 -1.26 0.19 119.66 123.85 1ux2 s GLN 178 Ca 0.06 -0.40 0.03 0.00 0.02 0.00 0.00 55.36 55.07 1ux2 s GLN 178 Cb -0.07 -1.74 -0.03 0.00 1.00 0.00 0.00 33.01 32.17 1ux2 s GLN 178 CO -0.00 -0.18 -0.09 0.15 -2.12 0.00 0.00 175.29 173.05 1ux2 s LYS 179 N 1.38 0.68 -0.01 2.91 1.02 -0.49 -4.91 119.74 120.32 1ux2 s LYS 179 Ca 0.00 -0.97 -0.18 0.00 0.02 0.00 0.00 55.97 54.84 1ux2 s LYS 179 Cb -0.13 -0.38 -0.06 0.00 -0.52 0.00 0.00 37.83 36.74 1ux2 s LYS 179 CO -0.06 0.06 0.52 0.21 -0.92 0.00 0.00 175.35 175.15 1ux2 s LYS 180 N -2.27 4.19 0.00 1.68 2.20 -1.26 -0.15 119.74 124.13 1ux2 s LYS 180 Ca -0.02 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1ux2 s LYS 180 Cb -0.06 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1ux2 s LYS 180 CO -0.00 0.48 0.00 -1.71 -0.36 0.00 0.00 175.35 173.75 1ux2 n ASN 181 N 2.43 0.00 -3.74 1.43 2.85 -0.61 -4.90 115.26 112.73 1ux2 n ASN 181 Ca -0.10 -0.43 -0.10 0.00 -0.11 0.00 0.00 54.58 53.84 1ux2 n ASN 181 Cb 0.51 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.48 1ux2 n ASN 181 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1ux2 s SER 182 N 0.17 -0.11 0.12 1.20 1.04 -1.26 -2.41 113.70 112.45 1ux2 s SER 182 Ca 0.00 -0.48 0.11 0.00 0.48 0.00 0.00 55.95 56.05 1ux2 s SER 182 Cb 0.00 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1ux2 s SER 182 CO 0.00 -0.84 -0.27 0.68 0.98 0.00 0.00 173.24 173.79 1ux2 s VAL 183 N -3.84 2.23 0.10 5.02 -7.23 -0.31 -4.90 120.40 111.47 1ux2 s VAL 183 Ca 0.05 -1.71 -0.14 0.00 -1.81 0.00 0.00 61.98 58.37 1ux2 s VAL 183 Cb 0.03 -1.97 0.02 0.00 0.56 0.00 0.00 36.38 35.02 1ux2 s VAL 183 CO -0.10 0.11 0.32 -0.89 -0.31 0.00 0.00 175.10 174.24 1ux2 s THR 184 N -1.04 0.09 0.03 5.32 2.01 -1.26 -2.66 115.64 118.14 1ux2 s THR 184 Ca 0.14 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.37 1ux2 s THR 184 Cb -0.10 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 1ux2 s THR 184 CO 0.06 -0.43 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.19 1ux2 s TYR 185 N -3.59 0.50 0.63 4.92 1.51 -1.26 -5.05 117.35 115.00 1ux2 s TYR 185 Ca 0.02 -0.53 0.43 0.00 -1.01 0.00 0.00 57.07 55.98 1ux2 s TYR 185 Cb 0.02 -0.31 2.32 0.00 -0.11 0.00 0.00 41.96 43.88 1ux2 s TYR 185 CO -0.10 -0.14 2.34 0.77 -1.11 0.00 0.00 175.55 177.32 1ux2 h SER 186 N 4.51 0.00 -0.45 2.29 0.02 -2.01 -2.68 113.55 115.23 1ux2 h SER 186 Ca -0.34 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.53 1ux2 h SER 186 Cb 1.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 1ux2 h SER 186 CO 0.42 0.00 -0.01 0.00 -1.14 0.00 0.00 176.83 176.10 1ux2 h PRO 189 N 5.30 0.18 -6.05 0.00 0.13 -1.90 -3.39 132.00 126.27 1ux2 h PRO 189 Ca -0.28 -0.10 -0.77 0.00 -0.87 0.00 0.00 66.00 63.99 1ux2 h PRO 189 Cb 1.20 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.39 1ux2 h PRO 189 CO 0.43 0.62 0.14 0.39 -0.23 0.00 0.00 178.00 179.35 1ux2 n GLU 190 N -4.70 0.22 -3.55 0.86 -0.58 -1.26 -4.92 120.64 106.71 1ux2 n GLU 190 Ca -0.07 0.08 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 1ux2 n GLU 190 Cb 0.31 -1.61 -0.06 0.00 -0.57 0.00 0.00 31.44 29.51 1ux2 n GLU 190 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ux2 s ALA 191 N 0.10 3.67 -0.17 0.62 0.00 -1.26 -4.79 121.76 119.93 1ux2 s ALA 191 Ca 0.90 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1ux2 s ALA 191 Cb -1.21 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1ux2 s ALA 191 CO 0.55 0.35 -0.15 0.71 0.00 0.00 0.00 175.76 177.22 1ux2 s TYR 192 N -0.50 2.80 0.26 0.00 2.02 -1.09 -0.35 117.35 120.48 1ux2 s TYR 192 Ca 0.21 -1.23 -0.23 0.00 -0.37 0.00 0.00 57.07 55.45 1ux2 s TYR 192 Cb -0.15 -1.93 -0.09 0.00 -0.40 0.00 0.00 41.96 39.40 1ux2 s TYR 192 CO 0.09 -0.60 0.82 -1.21 -1.57 0.00 0.00 175.55 173.09 1ux2 s GLU 193 N 1.06 4.43 0.06 -0.62 2.02 -1.26 -1.16 118.70 123.23 1ux2 s GLU 193 Ca -0.01 1.10 -0.03 0.00 0.02 0.00 0.00 54.97 56.06 1ux2 s GLU 193 Cb -0.14 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1ux2 s GLU 193 CO -0.04 0.37 0.01 0.16 0.02 0.00 0.00 175.26 175.78 1ux2 s ASP 194 N -1.58 0.41 -0.17 -0.19 -4.77 -1.01 -4.05 116.67 105.31 1ux2 s ASP 194 Ca 0.45 -0.93 -0.06 0.00 -3.30 0.00 0.00 52.55 48.71 1ux2 s ASP 194 Cb -0.18 0.23 -0.04 0.00 -1.09 0.00 0.00 42.92 41.84 1ux2 s ASP 194 CO 0.23 -0.62 0.04 -0.69 0.70 0.00 0.00 175.17 174.82 1ux2 s VAL 195 N -3.88 4.56 -0.29 2.11 1.01 -0.25 -1.57 120.40 122.09 1ux2 s VAL 195 Ca 0.06 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1ux2 s VAL 195 Cb 0.07 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1ux2 s VAL 195 CO -0.10 0.48 0.17 -0.70 0.00 0.00 0.00 175.10 174.95 1ux2 s GLU 196 N 0.25 3.68 -0.27 2.72 2.12 0.79 -1.12 118.70 126.86 1ux2 s GLU 196 Ca 0.02 -0.50 -0.09 0.00 0.36 0.00 0.00 54.97 54.77 1ux2 s GLU 196 Cb -0.13 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 1ux2 s GLU 196 CO 0.01 -0.29 0.13 0.08 -0.54 0.00 0.00 175.26 174.65 1ux2 s VAL 197 N 1.70 4.68 -0.41 3.70 1.01 0.12 -1.40 120.40 129.80 1ux2 s VAL 197 Ca 0.06 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 1ux2 s VAL 197 Cb -0.16 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 32.99 1ux2 s VAL 197 CO 0.09 0.24 0.29 -0.44 0.00 0.00 0.00 175.10 175.28 1ux2 s SER 198 N 1.66 6.03 -0.53 3.32 0.01 0.52 -0.58 113.70 124.13 1ux2 s SER 198 Ca 0.06 -0.97 -0.18 0.00 1.31 0.00 0.00 55.95 56.17 1ux2 s SER 198 Cb -0.16 -2.13 0.08 0.00 0.21 0.00 0.00 66.02 64.02 1ux2 s SER 198 CO 0.06 -0.46 0.61 -0.22 0.41 0.00 0.00 173.24 173.65 1ux2 s LEU 199 N 1.65 5.23 -0.37 2.44 2.96 0.14 -0.83 118.68 129.90 1ux2 s LEU 199 Ca 0.04 -1.15 -0.20 0.00 -0.22 0.00 0.00 54.13 52.60 1ux2 s LEU 199 Cb -0.20 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1ux2 s LEU 199 CO 0.09 -0.92 0.63 0.21 -1.32 0.00 0.00 176.35 175.04 1ux2 s ASN 200 N 2.98 6.41 0.10 3.68 2.47 0.84 -0.72 114.94 130.69 1ux2 s ASN 200 Ca 0.12 0.08 -0.05 0.00 0.42 0.00 0.00 52.86 53.43 1ux2 s ASN 200 Cb -0.22 -2.32 -0.02 0.00 -1.45 0.00 0.00 41.25 37.24 1ux2 s ASN 200 CO 0.09 -0.61 0.10 0.72 -3.72 0.00 0.00 177.10 173.68 1ux2 s PHE 201 N 2.71 0.45 0.06 0.43 -0.12 -0.29 -0.23 117.98 120.99 1ux2 s PHE 201 Ca 0.24 -0.90 -0.08 0.00 -0.05 0.00 0.00 56.93 56.14 1ux2 s PHE 201 Cb -0.14 -0.25 -0.00 0.00 -0.63 0.00 0.00 43.02 41.99 1ux2 s PHE 201 CO 0.15 -0.51 0.17 -0.98 -0.05 0.00 0.00 175.22 174.00 1ux2 s ARG 202 N -3.93 0.74 0.25 1.99 1.70 -0.67 -0.15 118.95 118.88 1ux2 s ARG 202 Ca 0.11 -0.81 -0.30 0.00 -0.47 0.00 0.00 55.73 54.27 1ux2 s ARG 202 Cb 0.06 0.30 -0.10 0.00 -0.57 0.00 0.00 34.95 34.64 1ux2 s ARG 202 CO -0.07 -0.22 1.40 0.21 -1.08 0.00 0.00 175.30 175.55 1ux2 s LYS 203 N -3.15 4.30 0.43 3.89 2.20 -0.17 -0.81 119.74 126.42 1ux2 s LYS 203 Ca -0.00 2.25 -0.25 0.00 -0.36 0.00 0.00 55.97 57.60 1ux2 s LYS 203 Cb 0.02 -3.12 -0.08 0.00 -1.51 0.00 0.00 37.83 33.14 1ux2 s LYS 203 CO -0.07 -0.36 1.28 0.15 -0.36 0.00 0.00 175.35 175.99 1ux2 s LYS 204 N -0.52 3.86 0.00 4.03 1.02 -0.45 -4.85 119.74 122.83 1ux2 s LYS 204 Ca 0.57 2.09 0.28 0.00 0.02 0.00 0.00 55.97 58.93 1ux2 s LYS 204 Cb -0.41 -2.65 0.98 0.00 -0.52 0.00 0.00 37.83 35.24 1ux2 s LYS 204 CO 0.44 -0.56 1.71 0.41 -0.92 0.00 0.00 175.35 176.42